| 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 | 40.9 | Very low | 45.7 | Very low | 206 Ų | 206 | 137 Ų | 137 | 100% | 1.015 | 70% | 0.696 | S | S | * | * | 0 | -59.5 | 0 | -88.3 | -171.3 | -144.2 | 0 | 0 | 110.8 | E3 W4 T5 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.94Å; M1-W4 WeakPolarHBondContact O-CB 3.32Å; M1-W4 PolarHBondContact O-N 3.05Å; M1-T5 PolarHBondContact O-N 2.6Å; M1-T5 PolarHBondContact O-OG1 2.94Å | |||
| 2 | A | 45.2 | Very low | 44.8 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -52.4 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W4 T5 M6 | A2-W4 VanDerWaalsContact C-N 3.34Å; A2-W4 PolarHBondContact O-N 3.01Å; A2-T5 PolarHBondContact O-N 2.94Å; A2-M6 PolarHBondContact O-N 2.83Å |
| 3 | E | 42.2 | Very low | 44.1 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.3 | -33.5 | 176.2 | -74.9 | 178.6 | 151 | 0 | 0 | 113.6 | M1 M6 Q7 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.94Å; E3-M6 PolarHBondContact O-N 2.88Å; E3-Q7 WeakPolarHBondContact O-CB 3.41Å; E3-Q7 WeakPolarHBondContact O-CG 3.31Å; E3-Q7 PolarHBondContact O-N 2.94Å |
| 4 | W | 60.4 | Low | 43.5 | Very low | 187 Ų | 187 | 126.3 Ų | 126.3 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.8 | -35.7 | 177.7 | -174.4 | 84.4 | 0 | 0 | 0 | 111.5 | M1 A2 M6 N8 | M1-W4 WeakPolarHBondContact O-CB 3.32Å; M1-W4 PolarHBondContact O-N 3.05Å; A2-W4 VanDerWaalsContact C-N 3.34Å; A2-W4 PolarHBondContact O-N 3.01Å; W4-M6 VanDerWaalsContact C-N 3.34Å; W4-N8 PolarHBondContact NE1-ND2 2.63Å; W4-N8 PolarHBondContact O-N 3.09Å; W4-N8 PolarHBondContact O-ND2 3.36Å |
| 5 | T | 54.9 | Low | 43.4 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -67.8 | -33.4 | 172.8 | -41.4 | 0 | 0 | 0 | 0 | 111.9 | M1 A2 | M1-T5 PolarHBondContact O-N 2.6Å; M1-T5 PolarHBondContact O-OG1 2.94Å; A2-T5 PolarHBondContact O-N 2.94Å |
| 6 | M | 49.1 | Very low | 43.5 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 80% | 0.798 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.4 | -41.4 | 175.2 | -79.9 | -175.1 | 164.7 | 0 | 0 | 113.1 | A2 E3 W4 | A2-M6 PolarHBondContact O-N 2.83Å; E3-M6 PolarHBondContact O-N 2.88Å; W4-M6 VanDerWaalsContact C-N 3.34Å |
| 7 | Q | 47.3 | Very low | 43.8 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75 | -31.4 | -176.7 | -76 | 179.9 | -5.7 | 0 | 0 | 113.6 | E3 G9 | E3-Q7 WeakPolarHBondContact O-CB 3.41Å; E3-Q7 WeakPolarHBondContact O-CG 3.31Å; E3-Q7 PolarHBondContact O-N 2.94Å; Q7-G9 VanDerWaalsContact C-N 3.3Å |
| 8 | N | 51 | Low | 44.6 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 54% | 0.535 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | 32.9 | 177.2 | -58.7 | -70.1 | 0 | 0 | 0 | 111.6 | W4 | W4-N8 PolarHBondContact NE1-ND2 2.63Å; W4-N8 PolarHBondContact O-N 3.09Å; W4-N8 PolarHBondContact O-ND2 3.36Å |
| 9 | G | 37.6 | Very low | 46.3 | Very low | 29 Ų | 29 | 130.9 Ų | 130.9 | 30% | 0.299 | 70% | 0.703 | S | S | . | * | trans | -43.9 | 144.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q7 N11 | Q7-G9 VanDerWaalsContact C-N 3.3Å; G9-N11 PolarHBondContact O-N 3.17Å | ||
| 10 | F | 39.2 | Very low | 48.3 | Very low | 175 Ų | 175 | 125 Ų | 125 | 77% | 0.768 | 67% | 0.673 | S | S | * | * | trans | -54.1 | 82.7 | 165.9 | -78.8 | -94.7 | 0 | 0 | 0 | 110 | G12 V13 | F10-G12 PolarHBondContact O-N 3.11Å; F10-V13 HydrophobicContact CB-CG2 4.45Å | ||
| 11 | N | 35.2 | Very low | 50.4 | Low | 174 Ų | 174 | 125.1 Ų | 125.1 | 93% | 0.93 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 80.9 | 168.7 | -81.8 | -19.6 | 0 | 0 | 0 | 107.8 | G9 | G9-N11 PolarHBondContact O-N 3.17Š|
| 12 | G | 34.8 | Very low | 52.9 | Low | 69 Ų | 69 | 118 Ų | 118 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.9 | -5.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | F10 S14 | F10-G12 PolarHBondContact O-N 3.11Å; G12-S14 PolarHBondContact O-N 3.49Å |
| 13 | V | 36.1 | Very low | 55.3 | Low | 116 Ų | 116 | 114.5 Ų | 114.5 | 70% | 0.703 | 61% | 0.606 | S | S | * | * | trans | -78.2 | 96.2 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 108.6 | F10 K15 | F10-V13 HydrophobicContact CB-CG2 4.45Å; V13-K15 PolarHBondContact O-N 2.72Å | ||
| 14 | S | 34.5 | Very low | 57.9 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 53% | 0.531 | 57% | 0.572 | S | S | . | * | trans | -49.8 | 130.5 | 166 | 57 | 0 | 0 | 0 | 0 | 109.1 | G12 S16 | G12-S14 PolarHBondContact O-N 3.49Å; S14-S16 CarbonylContact O-C 3.48Å; S14-S16 PolarHBondContact O-N 3.45Å; S14-S16 PolarHBondContact OG-O 3.34Å | ||
| 15 | K | 43.2 | Very low | 59.6 | Low | 221 Ų | 221 | 98.7 Ų | 98.7 | 96% | 0.961 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -64 | 13.3 | -174.2 | -78.3 | -176.2 | 173.5 | 179.4 | 0 | 115.9 | V13 | V13-K15 PolarHBondContact O-N 2.72Š|
| 16 | S | 44.4 | Very low | 61.6 | Low | 81 Ų | 81 | 95.4 Ų | 95.4 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -135 | 116.2 | 165.8 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | S14 C18 | S14-S16 CarbonylContact O-C 3.48Å; S14-S16 PolarHBondContact O-N 3.45Å; S14-S16 PolarHBondContact OG-O 3.34Å; S16-C18 PolarHBondContact O-N 2.71Å |
| 17 | P | 48.8 | Very low | 63.8 | Low | 127 Ų | 127 | 87.7 Ų | 87.7 | 83% | 0.825 | 48% | 0.482 | S | S | * | . | trans | -61.4 | 110.5 | 174.7 | 23.4 | -29.5 | 0 | 0 | 0 | 107.6 | R19 | P17-R19 PolarHBondContact O-N 2.53Å; P17-R19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | C | 57.9 | Low | 66.1 | Low | 103 Ų | 103 | 81.1 Ų | 81.1 | 70% | 0.696 | 45% | 0.451 | S | S | * | . | trans | -63.8 | 111.7 | 168.6 | -150.2 | 0 | 0 | 0 | 0 | 105.3 | S16 A20 | S16-C18 PolarHBondContact O-N 2.71Å; C18-A20 PolarHBondContact O-N 3.13Å | ||
| 19 | R | 76.2 | Confident | 68.2 | Low | 188 Ų | 188 | 76.3 Ų | 76.3 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | trans | -56.1 | 132.5 | 175 | -175.3 | 177.3 | -177.6 | 174.5 | -0.1 | 107.1 | P17 E21 | P17-R19 PolarHBondContact O-N 2.53Å; P17-R19 VanDerWaalsContact O-N 3.07Å; R19-E21 PolarHBondContact O-N 3.16Å; R19-E21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | A | 88.2 | Confident | 70.9 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 10% | 0.099 | 42% | 0.415 | C | S | . | . | trans | -57.4 | 123.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | C18 V23 V149 W154 | C18-A20 PolarHBondContact O-N 3.13Å; A20-V23 HydrophobicContact CB-CG2 3.48Å; A20-V23 VanDerWaalsContact CB-CG2 3.48Å; A20-V149 HydrophobicContact CB-CG1 3.73Å; A20-V149 WeakPolarHBondContact CB-O 3.46Å; A20-W154 HydrophobicContact CB-CD2 4.26Å; A20-W154 HydrophobicContact CB-CE3 3.61Å; A20-W154 HydrophobicContact CB-CH2 4.1Å; A20-W154 HydrophobicContact CB-CZ3 3.51Å | ||
| 21 | E | 90.7 | Very high | 73.4 | Confident | 128 Ų | 128 | 69 Ų | 69 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | trans | -105.1 | 153.1 | 172.8 | -64.3 | -170.9 | 170.3 | 0 | 0 | 109.4 | R19 V23 S189 D190 | R19-E21 PolarHBondContact O-N 3.16Å; R19-E21 VanDerWaalsContact O-N 3.13Å; E21-V23 VanDerWaalsContact C-N 3.32Å; E21-V23 PolarHBondContact O-N 3.03Å; E21-S189 WeakPolarHBondContact O-CA 3.33Å; E21-D190 PolarHBondContact O-N 3.14Å | ||
| 22 | N | 93.3 | Very high | 76 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 53.8 | 48.5 | 173.6 | -53 | -54.2 | 0 | 0 | 0 | 112.4 | D190 A191 V194 R380 | N22-D190 PolarHBondContact ND2-OD1 3.2Å; N22-D190 VanDerWaalsContact ND2-OD1 3.17Å; N22-D190 PolarHBondContact O-N 3.09Å; N22-A191 WeakPolarHBondContact O-CB 3.47Å; N22-A191 PolarHBondContact O-N 2.88Å; N22-V194 HydrophobicContact CB-CG2 3.84Å; N22-R380 VanDerWaalsContact CB-NH1 3.32Å; N22-R380 VanDerWaalsContact CG-NH1 3.32Å; N22-R380 PolarHBondContact ND2-NH1 3.11Å; N22-R380 VanDerWaalsContact ND2-NH1 3.15Å |
| 23 | V | 96.1 | Very high | 78.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | trans | -73.5 | 133.5 | -175.1 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | A20 E21 I146 V149 E150 I187 G188 F195 | A20-V23 HydrophobicContact CB-CG2 3.48Å; A20-V23 VanDerWaalsContact CB-CG2 3.48Å; E21-V23 VanDerWaalsContact C-N 3.32Å; E21-V23 PolarHBondContact O-N 3.03Å; V23-I146 HydrophobicContact CG1-CB 4.47Å; V23-I146 HydrophobicContact CG1-CG2 4.03Å; V23-V149 HydrophobicContact CB-CG1 4.35Å; V23-V149 HydrophobicContact CG1-CB 3.76Å; V23-V149 HydrophobicContact CG1-CG1 3.64Å; V23-V149 HydrophobicContact CG2-CB 4.49Å; V23-V149 HydrophobicContact CG2-CG1 3.73Å; V23-E150 HydrophobicContact CB-CG 3.83Å; V23-E150 HydrophobicContact CG1-CG 4.12Å; V23-E150 HydrophobicContact CG2-CG 3.64Å; V23-I187 HydrophobicContact CG1-CG2 4.22Å; V23-G188 WeakPolarHBondContact CA-O 3.36Å; V23-F195 PolarHBondContact O-N 3.39Å | ||
| 24 | G | 96.5 | Very high | 81 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -151.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I26 I187 G188 A191 L193 | G24-I26 PolarHBondContact O-N 2.94Å; G24-I187 VanDerWaalsContact O-CA 3.3Å; G24-I187 WeakPolarHBondContact O-CA 3.44Å; G24-G188 PolarHBondContact N-O 3.27Å; G24-G188 PolarHBondContact O-N 2.79Å; G24-G188 VanDerWaalsContact O-N 3.12Å; G24-A191 WeakPolarHBondContact O-CB 3.4Å; G24-L193 CarbonylContact C-O 3.53Å; G24-L193 VanDerWaalsContact CA-O 3.23Å; G24-L193 WeakPolarHBondContact CA-O 3.45Å |
| 25 | I | 97.1 | Very high | 83.6 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 116.7 | -171.7 | -61.8 | 159.9 | 0 | 0 | 0 | 110.4 | G27 M28 M185 L186 I187 P192 L193 F195 I392 | I25-G27 WeakPolarHBondContact CG2-O 3.31Å; I25-M28 HydrophobicContact CG2-CB 4.34Å; I25-M185 HydrophobicContact CD1-CG 4.44Å; I25-M185 HydrophobicContact CD1-SD 3.93Å; I25-M185 HydrophobicContact CG1-CB 4.42Å; I25-M185 HydrophobicContact CG1-SD 4.46Å; I25-L186 WeakPolarHBondContact CA-O 3.49Å; I25-I187 HydrophobicContact CB-CD1 4.41Å; I25-I187 HydrophobicContact CG1-CD1 3.63Å; I25-P192 WeakPolarHBondContact O-CD 3.45Å; I25-P192 WeakPolarHBondContact O-CG 3.44Å; I25-L193 HydrophobicContact CB-CB 4.18Å; I25-L193 HydrophobicContact CB-CD1 4.2Å; I25-L193 HydrophobicContact CG2-CD1 4.35Å; I25-L193 PolarHBondContact N-O 2.86Å; I25-F195 HydrophobicContact CD1-CE2 4Å; I25-F195 HydrophobicContact CD1-CZ 3.95Å; I25-F195 HydrophobicContact CG1-CE2 3.99Å; I25-F195 HydrophobicContact CG1-CZ 4.37Å; I25-I392 HydrophobicContact CG2-CD1 4.47Å |
| 26 | I | 95.8 | Very high | 86 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -30.7 | 177.3 | -63.3 | 175 | 0 | 0 | 0 | 111.5 | G24 Y158 L186 G188 S189 A191 | G24-I26 PolarHBondContact O-N 2.94Å; I26-Y158 HydrophobicContact CD1-CD1 4Å; I26-Y158 HydrophobicContact CD1-CE1 3.69Å; I26-L186 HydrophobicContact CG2-CD2 4.38Å; I26-L186 PolarHBondContact N-O 3.28Å; I26-G188 VanDerWaalsContact CD1-CA 3.4Å; I26-S189 WeakPolarHBondContact CD1-O 3.3Å; I26-A191 HydrophobicContact CG1-CB 3.84Å |
| 27 | G | 96.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 144.9 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | I25 Y86 M185 L186 | I25-G27 WeakPolarHBondContact CG2-O 3.31Å; G27-Y86 WeakPolarHBondContact CA-OH 3.18Å; G27-M185 CarbonylContact O-C 3.51Å; G27-M185 WeakPolarHBondContact O-CA 3.47Å; G27-L186 PolarHBondContact N-O 3.18Å; G27-L186 PolarHBondContact O-N 2.95Å |
| 28 | M | 96.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 33.5 Ų | 33.5 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146 | 174.7 | -169.7 | 166.2 | 64.2 | 0 | 0 | 110.1 | I25 Y86 V183 A184 M185 I392 T395 L396 | I25-M28 HydrophobicContact CG2-CB 4.34Å; M28-Y86 PolarHBondContact N-OH 2.94Å; M28-Y86 PolarHBondContact O-OH 3.37Å; M28-V183 HydrophobicContact CG-CG1 3.86Å; M28-V183 HydrophobicContact SD-CG1 3.93Å; M28-A184 VanDerWaalsContact CA-O 3.3Å; M28-A184 WeakPolarHBondContact CA-O 3.47Å; M28-M185 HydrophobicContact CG-CG 4.12Å; M28-M185 HydrophobicContact SD-CG 4.13Å; M28-I392 HydrophobicContact CB-CG2 4.21Å; M28-T395 WeakPolarHBondContact O-CG2 3.49Å; M28-L396 HydrophobicContact CE-CD1 3.61Å; M28-L396 HydrophobicContact CE-CD2 4.05Å; M28-L396 HydrophobicContact CE-CG 4.4Å; M28-L396 HydrophobicContact CG-CD2 4.43Å |
| 29 | D | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 155.5 | 169.6 | -153.2 | -24.6 | 0 | 0 | 0 | 109.3 | V78 R81 L82 H85 V183 A184 T395 S399 | D29-V78 HydrophobicContact CB-CG2 4.43Å; D29-V78 WeakPolarHBondContact O-CG2 3.4Å; D29-R81 IonicContact OD1-NE 2.74Å; D29-R81 VanDerWaalsContact OD2-CB 3.31Å; D29-R81 WeakPolarHBondContact OD2-CB 3.42Å; D29-R81 IonicContact OD2-NE 3.94Å; D29-L82 HydrophobicContact CB-CB 3.85Å; D29-L82 HydrophobicContact CB-CD1 4.43Å; D29-L82 HydrophobicContact CB-CG 4.47Å; D29-L82 PolarHBondContact OD2-N 3.47Å; D29-H85 IonicContact OD2-CE1 3.66Å; D29-H85 PolarHBondContact OD2-CE1 2.89Å; D29-H85 IonicContact OD2-CG 2.59Å; D29-H85 IonicContact OD2-ND1 3.43Å; D29-H85 PolarHBondContact OD2-ND1 2.74Å; D29-V183 WeakPolarHBondContact O-CA 3.49Å; D29-A184 PolarHBondContact N-O 3.16Å; D29-A184 PolarHBondContact O-N 3.42Å; D29-T395 HydrophobicContact CB-CG2 4.22Å; D29-S399 PolarHBondContact OD1-OG 3.38Å |
| 30 | I | 93.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 7% | 0.067 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.1 | -173.4 | 60 | -177.7 | 0 | 0 | 0 | 110.3 | A182 V183 L343 L396 S399 M400 | I30-A182 CarbonylContact C-O 3.51Å; I30-A182 WeakPolarHBondContact CA-O 3.5Å; I30-V183 HydrophobicContact CG2-CB 4.33Å; I30-V183 HydrophobicContact CG2-CG1 4.03Å; I30-V183 HydrophobicContact CG2-CG2 3.86Å; I30-L343 HydrophobicContact CD1-CD2 3.88Å; I30-L396 HydrophobicContact CD1-CD2 3.96Å; I30-L396 HydrophobicContact CG1-CD2 4.02Å; I30-L396 HydrophobicContact CG2-CD2 4.01Å; I30-S399 PolarHBondContact O-OG 3Å; I30-M400 HydrophobicContact CD1-CE 3.21Å; I30-M400 HydrophobicContact CD1-SD 4.16Å; I30-M400 HydrophobicContact CG1-CE 4.27Å |
| 31 | Y | 92.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 24.8 Ų | 24.8 | 15% | 0.145 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.5 | 176.3 | 177.2 | -94.8 | 0 | 0 | 0 | 109.8 | E69 I74 T77 G181 A182 | Y31-E69 PolarHBondContact OH-OE1 3.43Å; Y31-I74 HydrophobicContact CD1-CB 3.77Å; Y31-I74 HydrophobicContact CD1-CG2 4.05Å; Y31-I74 HydrophobicContact CE1-CB 3.83Å; Y31-I74 HydrophobicContact CE1-CG2 3.58Å; Y31-T77 HydrophobicContact CD2-CG2 3.53Å; Y31-T77 HydrophobicContact CE2-CG2 3.64Å; Y31-T77 HydrophobicContact CG-CG2 4Å; Y31-G181 WeakPolarHBondContact O-CA 3.49Å; Y31-A182 PolarHBondContact N-O 3.27Å; Y31-A182 PolarHBondContact O-N 3.49Å |
| 32 | F | 89.9 | Confident | 93.9 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 4% | 0.044 | 10% | 0.098 | C | C | . | . | trans | -146.5 | 152.5 | 177.2 | 40.8 | -97.6 | 0 | 0 | 0 | 109.3 | I347 S399 M400 L402 L403 R406 | F32-I347 HydrophobicContact CB-CD1 3.76Å; F32-I347 HydrophobicContact CB-CG1 4.49Å; F32-I347 HydrophobicContact CB-CG2 3.72Å; F32-I347 HydrophobicContact CD1-CD1 3.09Å; F32-I347 HydrophobicContact CD1-CG1 4.41Å; F32-I347 HydrophobicContact CD2-CD1 4.18Å; F32-I347 HydrophobicContact CE1-CD1 3.56Å; F32-I347 HydrophobicContact CG-CD1 3.41Å; F32-I347 VanDerWaalsContact CG-CD1 3.41Å; F32-I347 HydrophobicContact CG-CG1 4.38Å; F32-I347 HydrophobicContact CG-CG2 4.47Å; F32-I347 HydrophobicContact CZ-CD1 4.27Å; F32-S399 VanDerWaalsContact CZ-O 3.23Å; F32-S399 WeakPolarHBondContact CZ-O 3.23Å; F32-M400 HydrophobicContact CE1-CE 3.98Å; F32-L402 VanDerWaalsContact CE2-C 3.47Å; F32-L402 HydrophobicContact CE2-CB 3.76Å; F32-L402 HydrophobicContact CZ-CB 3.69Å; F32-L403 HydrophobicContact CD2-CD1 4.31Å; F32-L403 HydrophobicContact CE1-CD1 4.42Å; F32-L403 VanDerWaalsContact CE2-CA 3.44Å; F32-L403 HydrophobicContact CE2-CB 4.07Å; F32-L403 HydrophobicContact CE2-CD1 3.89Å; F32-L403 HydrophobicContact CZ-CB 3.69Å; F32-L403 HydrophobicContact CZ-CD1 3.92Å; F32-L403 HydrophobicContact CZ-CG 4.45Å; F32-L403 VanDerWaalsContact CZ-N 3.28Å; F32-R406 HydrophobicContact CD2-CG 4.22Å; F32-R406 HydrophobicContact CE2-CG 4.12Å | ||
| 33 | P | 89.4 | Confident | 94 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -55.2 | 150.6 | -179.7 | -28 | 34.8 | 0 | 0 | 0 | 113.4 | M35 A63 V64 C65 A180 R406 | P33-M35 PolarHBondContact O-N 2.8Å; P33-A63 HydrophobicContact CG-CB 4.21Å; P33-V64 VanDerWaalsContact CB-O 3.31Å; P33-V64 WeakPolarHBondContact CB-O 3.35Å; P33-C65 WeakPolarHBondContact CG-SG 3.4Å; P33-A180 WeakPolarHBondContact CD-O 3.31Å; P33-A180 HydrophobicContact CG-CB 3.7Å; P33-R406 WeakPolarHBondContact O-CD 3.39Å | ||
| 34 | S | 85.4 | Confident | 94 | Very high | 34 Ų | 34 | 22.7 Ų | 22.7 | 24% | 0.238 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -73 | -4.6 | -179.4 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | R406 S407 N441 | S34-R406 CarbonylContact O-C 3.42Å; S34-R406 VanDerWaalsContact O-CA 3.28Å; S34-R406 WeakPolarHBondContact O-CA 3.29Å; S34-R406 WeakPolarHBondContact O-CB 3.22Å; S34-S407 PolarHBondContact O-N 3.39Å; S34-N441 PolarHBondContact O-ND2 3.16Å |
| 35 | M | 89.8 | Confident | 93.9 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.02 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.6 | -179.3 | -60.8 | -179.3 | -63.2 | 0 | 0 | 111.5 | P33 V64 S407 V409 L417 | P33-M35 PolarHBondContact O-N 2.8Å; M35-V64 HydrophobicContact CB-CB 4.21Å; M35-V64 PolarHBondContact O-N 2.95Å; M35-S407 VanDerWaalsContact CA-O 3.24Å; M35-S407 WeakPolarHBondContact CA-O 3.09Å; M35-V409 HydrophobicContact CB-CG1 4.03Å; M35-V409 HydrophobicContact CG-CG1 4.12Å; M35-V409 HydrophobicContact SD-CG1 3.85Å; M35-L417 HydrophobicContact CE-CD1 3.89Å; M35-L417 HydrophobicContact SD-CD1 4.31Å |
| 36 | Y | 93.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 29 Ų | 29 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.3 | 171.7 | 75.2 | -84.5 | 0 | 0 | 0 | 111.2 | E61 M62 R406 S407 K408 V409 | Y36-E61 HydrophobicContact CD2-CB 3.66Å; Y36-E61 HydrophobicContact CD2-CG 3.74Å; Y36-E61 HydrophobicContact CE2-CB 4.25Å; Y36-E61 HydrophobicContact CE2-CG 3.78Å; Y36-E61 HydrophobicContact CG-CB 4.28Å; Y36-M62 CarbonylContact C-O 3.6Å; Y36-M62 WeakPolarHBondContact CA-O 3.43Å; Y36-M62 WeakPolarHBondContact CB-O 3.32Å; Y36-R406 HydrophobicContact CD1-CB 3.7Å; Y36-R406 HydrophobicContact CE1-CB 4.2Å; Y36-S407 PolarHBondContact N-O 2.91Å; Y36-K408 HydrophobicContact CD2-CG 4.49Å; Y36-K408 HydrophobicContact CE1-CB 3.86Å; Y36-K408 HydrophobicContact CE2-CB 4.06Å; Y36-K408 HydrophobicContact CE2-CD 4.17Å; Y36-K408 HydrophobicContact CE2-CG 3.85Å; Y36-K408 CarbonylContact O-C 3.59Å; Y36-K408 WeakPolarHBondContact O-CA 3.33Å; Y36-V409 WeakPolarHBondContact O-CG2 3.4Å; Y36-V409 PolarHBondContact O-N 3.34Å |
| 37 | V | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.5 | 166.8 | 63.1 | 0 | 0 | 0 | 0 | 109.2 | M62 V64 V409 P411 F414 | V37-M62 HydrophobicContact CG1-CB 3.91Å; V37-M62 HydrophobicContact CG1-CE 3.46Å; V37-M62 VanDerWaalsContact CG1-CE 3.46Å; V37-M62 HydrophobicContact CG1-CG 4.48Å; V37-M62 PolarHBondContact N-O 3.49Å; V37-M62 PolarHBondContact O-N 3.38Å; V37-V64 HydrophobicContact CB-CG2 4.2Å; V37-V64 HydrophobicContact CG1-CG2 4.03Å; V37-V409 HydrophobicContact CB-CG2 4.21Å; V37-P411 HydrophobicContact CG2-CG 4.29Å; V37-F414 HydrophobicContact CB-CB 4.2Å; V37-F414 HydrophobicContact CB-CG 4.25Å; V37-F414 HydrophobicContact CG1-CD1 4.1Å; V37-F414 HydrophobicContact CG1-CD2 4.26Å; V37-F414 HydrophobicContact CG1-CE1 4.4Å; V37-F414 HydrophobicContact CG1-CG 4.04Å; V37-F414 HydrophobicContact CG2-CB 4.22Å; V37-F414 HydrophobicContact CG2-CD1 4.47Å; V37-F414 HydrophobicContact CG2-CG 4.46Å |
| 38 | D | 95.3 | Very high | 93.5 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.4 | 176.5 | -172.8 | -74.3 | 0 | 0 | 0 | 109.7 | S40 E41 L42 K408 | D38-S40 VanDerWaalsContact C-N 3.29Å; D38-S40 PolarHBondContact O-N 3.47Å; D38-S40 WeakPolarHBondContact OD1-CA 3.37Å; D38-S40 WeakPolarHBondContact OD1-CB 3.39Å; D38-S40 PolarHBondContact OD1-N 3.26Å; D38-S40 PolarHBondContact OD1-OG 3.03Å; D38-E41 HydrophobicContact CB-CB 4.18Å; D38-E41 HydrophobicContact CB-CG 4.06Å; D38-E41 PolarHBondContact O-N 3.44Å; D38-E41 PolarHBondContact OD1-N 3.02Å; D38-L42 PolarHBondContact O-N 2.8Å; D38-K408 HydrophobicContact CB-CD 4.03Å |
| 39 | Q | 95.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -29.7 | -176.6 | -70.1 | -83 | 12.7 | 0 | 0 | 112.2 | L42 E43 T54 Q59 L60 C176 | Q39-L42 PolarHBondContact O-N 3.49Å; Q39-E43 VanDerWaalsContact O-CG 3.28Å; Q39-E43 WeakPolarHBondContact O-CG 3.19Å; Q39-E43 PolarHBondContact O-N 3.44Å; Q39-T54 HydrophobicContact CB-CG2 3.96Å; Q39-Q59 WeakPolarHBondContact CB-O 3.32Å; Q39-Q59 HydrophobicContact CG-CB 4.09Å; Q39-Q59 WeakPolarHBondContact CG-O 2.87Å; Q39-L60 VanDerWaalsContact CB-O 3.3Å; Q39-L60 WeakPolarHBondContact CB-O 3.42Å; Q39-L60 WeakPolarHBondContact CG-O 3.42Å; Q39-L60 PolarHBondContact N-O 3.24Å; Q39-C176 PolarHBondContact NE2-O 3.4Å |
| 40 | S | 95.7 | Very high | 93.5 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 38% | 0.378 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.4 | -38.3 | 175.9 | -28.8 | 0 | 0 | 0 | 0 | 111 | D38 E43 L44 | D38-S40 VanDerWaalsContact C-N 3.29Å; D38-S40 PolarHBondContact O-N 3.47Å; D38-S40 WeakPolarHBondContact OD1-CA 3.37Å; D38-S40 WeakPolarHBondContact OD1-CB 3.39Å; D38-S40 PolarHBondContact OD1-N 3.26Å; D38-S40 PolarHBondContact OD1-OG 3.03Å; S40-E43 PolarHBondContact O-N 2.76Å; S40-L44 PolarHBondContact O-N 2.77Å |
| 41 | E | 96.7 | Very high | 93.5 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68 | -37.8 | 172.2 | -67.4 | -175.3 | -168.1 | 0 | 0 | 111.4 | D38 L44 Y45 K408 P411 | D38-E41 HydrophobicContact CB-CB 4.18Å; D38-E41 HydrophobicContact CB-CG 4.06Å; D38-E41 PolarHBondContact O-N 3.44Å; D38-E41 PolarHBondContact OD1-N 3.02Å; E41-L44 PolarHBondContact O-N 3.23Å; E41-Y45 WeakPolarHBondContact O-CB 3.47Å; E41-Y45 PolarHBondContact O-N 3.2Å; E41-K408 WeakPolarHBondContact OE1-CE 3.33Å; E41-K408 IonicContact OE1-NZ 3.06Å; E41-K408 PolarHBondContact OE1-NZ 3.45Å; E41-P411 HydrophobicContact CB-CG 3.94Å |
| 42 | L | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 176 | -167.3 | 62.9 | 0 | 0 | 0 | 112.1 | D38 Q39 L44 Y45 D46 Y53 M62 C176 P411 F414 | D38-L42 PolarHBondContact O-N 2.8Å; Q39-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.43Å; L42-Y45 HydrophobicContact CD1-CD1 4.47Å; L42-Y45 PolarHBondContact O-N 3.09Å; L42-D46 WeakPolarHBondContact O-CB 3.26Å; L42-D46 PolarHBondContact O-N 2.93Å; L42-Y53 HydrophobicContact CB-CE2 4.48Å; L42-Y53 HydrophobicContact CD2-CE2 4.37Å; L42-Y53 HydrophobicContact CG-CE2 4.15Å; L42-M62 HydrophobicContact CD2-CE 3.91Å; L42-C176 HydrophobicContact CD2-CB 4.47Å; L42-P411 HydrophobicContact CD1-CB 4.07Å; L42-F414 HydrophobicContact CD1-CD1 4.19Å; L42-F414 HydrophobicContact CD1-CE1 4.4Å; L42-F414 HydrophobicContact CD2-CE1 4.39Å |
| 43 | E | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.1 | -78 | 171.4 | 177.1 | 0 | 0 | 111.7 | Q39 S40 A47 V48 G51 K52 Y53 T54 | Q39-E43 VanDerWaalsContact O-CG 3.28Å; Q39-E43 WeakPolarHBondContact O-CG 3.19Å; Q39-E43 PolarHBondContact O-N 3.44Å; S40-E43 PolarHBondContact O-N 2.76Å; E43-A47 PolarHBondContact O-N 2.64Å; E43-V48 HydrophobicContact CB-CG2 3.86Å; E43-V48 HydrophobicContact CG-CG2 3.95Å; E43-V48 WeakPolarHBondContact O-CG2 3.35Å; E43-V48 PolarHBondContact O-N 3.43Å; E43-G51 VanDerWaalsContact OE1-C 3.24Å; E43-G51 WeakPolarHBondContact OE1-CA 3.4Å; E43-G51 PolarHBondContact OE1-N 3.32Å; E43-G51 PolarHBondContact OE2-N 3.09Å; E43-K52 PolarHBondContact OE1-N 3.32Å; E43-K52 VanDerWaalsContact OE1-N 3.12Å; E43-Y53 HydrophobicContact CB-CD2 4.35Å; E43-Y53 HydrophobicContact CG-CD2 3.43Å; E43-Y53 VanDerWaalsContact CG-CD2 3.43Å; E43-Y53 HydrophobicContact CG-CE2 4.07Å; E43-Y53 HydrophobicContact CG-CG 3.7Å; E43-Y53 WeakPolarHBondContact OE1-CA 3.29Å; E43-Y53 WeakPolarHBondContact OE1-CB 3.28Å; E43-Y53 PolarHBondContact OE1-N 3.27Å; E43-T54 PolarHBondContact OE1-N 3.26Å; E43-T54 PolarHBondContact OE1-OG1 2.92Å; E43-T54 VanDerWaalsContact OE1-OG1 3.06Å |
| 44 | L | 95.2 | Very high | 94.2 | Very high | 134 Ų | 134 | 45.9 Ų | 45.9 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 177.2 | -70.2 | 169.9 | 0 | 0 | 0 | 111.5 | S40 E41 L42 A47 | S40-L44 PolarHBondContact O-N 2.77Å; E41-L44 PolarHBondContact O-N 3.23Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3.43Å; L44-A47 PolarHBondContact O-N 3.34Å |
| 45 | Y | 94.6 | Very high | 94.4 | Very high | 97 Ų | 97 | 50.8 Ų | 50.8 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | -179.7 | -177.2 | -94.6 | 0 | 0 | 0 | 112.9 | E41 L42 A47 P411 E412 H415 | E41-Y45 WeakPolarHBondContact O-CB 3.47Å; E41-Y45 PolarHBondContact O-N 3.2Å; L42-Y45 HydrophobicContact CD1-CD1 4.47Å; L42-Y45 PolarHBondContact O-N 3.09Å; Y45-A47 PolarHBondContact O-N 3.46Å; Y45-P411 VanDerWaalsContact CB-CB 3.5Å; Y45-P411 HydrophobicContact CD1-CB 3.81Å; Y45-P411 HydrophobicContact CD2-CB 3.71Å; Y45-P411 HydrophobicContact CE1-CB 4.47Å; Y45-P411 HydrophobicContact CE2-CB 4.4Å; Y45-P411 HydrophobicContact CG-CB 3.37Å; Y45-P411 HydrophobicContact CG-CG 4.22Å; Y45-E412 HydrophobicContact CD2-CG 4.45Å; Y45-E412 VanDerWaalsContact CD2-OE1 3.28Å; Y45-E412 WeakPolarHBondContact CD2-OE1 3.31Å; Y45-E412 HydrophobicContact CE2-CG 3.73Å; Y45-E412 VanDerWaalsContact CE2-OE1 3.28Å; Y45-E412 WeakPolarHBondContact CE2-OE1 3.19Å; Y45-H415 AromaticContact CE1-CE1 3.55Å; Y45-H415 AromaticContact CE1-ND1 3.84Å; Y45-H415 AromaticContact CE1-NE2 3.76Å |
| 46 | D | 93.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1 | 177.7 | -74.4 | -17.1 | 0 | 0 | 0 | 112.9 | L42 V48 Y53 | L42-D46 WeakPolarHBondContact O-CB 3.26Å; L42-D46 PolarHBondContact O-N 2.93Å; D46-V48 VanDerWaalsContact C-N 3.26Å; D46-V48 HydrophobicContact CB-CG1 4.23Å; D46-V48 HydrophobicContact CB-CG2 4.44Å; D46-V48 PolarHBondContact O-N 3.1Å; D46-Y53 PolarHBondContact OD2-OH 3.42Å |
| 47 | A | 93.8 | Very high | 94.5 | Very high | 91 Ų | 91 | 52.4 Ų | 52.4 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 40.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E43 L44 Y45 | E43-A47 PolarHBondContact O-N 2.64Å; L44-A47 PolarHBondContact O-N 3.34Å; Y45-A47 PolarHBondContact O-N 3.46Å |
| 48 | V | 94.7 | Very high | 94.4 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 163.5 | 174 | -64 | 0 | 0 | 0 | 0 | 111.2 | E43 D46 K52 Y53 | E43-V48 HydrophobicContact CB-CG2 3.86Å; E43-V48 HydrophobicContact CG-CG2 3.95Å; E43-V48 WeakPolarHBondContact O-CG2 3.35Å; E43-V48 PolarHBondContact O-N 3.43Å; D46-V48 VanDerWaalsContact C-N 3.26Å; D46-V48 HydrophobicContact CB-CG1 4.23Å; D46-V48 HydrophobicContact CB-CG2 4.44Å; D46-V48 PolarHBondContact O-N 3.1Å; V48-K52 HydrophobicContact CB-CB 4.46Å; V48-K52 HydrophobicContact CB-CD 3.61Å; V48-K52 HydrophobicContact CG1-CD 3.88Å; V48-K52 HydrophobicContact CG2-CB 4.24Å; V48-K52 HydrophobicContact CG2-CD 4.01Å; V48-Y53 HydrophobicContact CG2-CE1 4.05Å; V48-Y53 HydrophobicContact CG2-CE2 3.99Å |
| 49 | S | 94.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 52 Ų | 52 | 54% | 0.538 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 133.8 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | G51 K52 | S49-G51 PolarHBondContact O-N 3.09Å; S49-K52 WeakPolarHBondContact O-CB 3.38Å; S49-K52 PolarHBondContact O-N 3.06Å |
| 50 | P | 95.6 | Very high | 94.2 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 137.2 | 173.2 | -26.3 | 34.2 | 0 | 0 | 0 | 111.3 | K52 | P50-K52 VanDerWaalsContact C-N 3.33Š|
| 51 | G | 94.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -7.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | E43 S49 Y53 T54 I55 G56 | E43-G51 VanDerWaalsContact OE1-C 3.24Å; E43-G51 WeakPolarHBondContact OE1-CA 3.4Å; E43-G51 PolarHBondContact OE1-N 3.32Å; E43-G51 PolarHBondContact OE2-N 3.09Å; S49-G51 PolarHBondContact O-N 3.09Å; G51-Y53 PolarHBondContact O-N 3.36Å; G51-T54 VanDerWaalsContact CA-OG1 3.31Å; G51-T54 WeakPolarHBondContact CA-OG1 3.49Å; G51-I55 CarbonylContact O-C 3.51Å; G51-I55 WeakPolarHBondContact O-CA 3.48Å; G51-I55 VanDerWaalsContact O-CB 3.28Å; G51-I55 WeakPolarHBondContact O-CB 3.33Å; G51-I55 PolarHBondContact O-N 2.79Å; G51-G56 PolarHBondContact O-N 3.02Å |
| 52 | K | 95.3 | Very high | 93.9 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -44.3 | -178.1 | -175.2 | -179.9 | 179.6 | -176.4 | 0 | 112.4 | E43 V48 S49 P50 G56 L57 | E43-K52 PolarHBondContact OE1-N 3.32Å; E43-K52 VanDerWaalsContact OE1-N 3.12Å; V48-K52 HydrophobicContact CB-CB 4.46Å; V48-K52 HydrophobicContact CB-CD 3.61Å; V48-K52 HydrophobicContact CG1-CD 3.88Å; V48-K52 HydrophobicContact CG2-CB 4.24Å; V48-K52 HydrophobicContact CG2-CD 4.01Å; S49-K52 WeakPolarHBondContact O-CB 3.38Å; S49-K52 PolarHBondContact O-N 3.06Å; P50-K52 VanDerWaalsContact C-N 3.33Å; K52-G56 CarbonylContact O-C 3.59Å; K52-G56 WeakPolarHBondContact O-CA 3.28Å; K52-G56 PolarHBondContact O-N 3.25Å; K52-L57 PolarHBondContact O-N 3.31Å |
| 53 | Y | 95.2 | Very high | 93.9 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -46.3 | 179.7 | -53.7 | -21.8 | 0 | 0 | 0 | 110.1 | L42 E43 D46 V48 G51 L57 G58 Q59 C176 | L42-Y53 HydrophobicContact CB-CE2 4.48Å; L42-Y53 HydrophobicContact CD2-CE2 4.37Å; L42-Y53 HydrophobicContact CG-CE2 4.15Å; E43-Y53 HydrophobicContact CB-CD2 4.35Å; E43-Y53 HydrophobicContact CG-CD2 3.43Å; E43-Y53 VanDerWaalsContact CG-CD2 3.43Å; E43-Y53 HydrophobicContact CG-CE2 4.07Å; E43-Y53 HydrophobicContact CG-CG 3.7Å; E43-Y53 WeakPolarHBondContact OE1-CA 3.29Å; E43-Y53 WeakPolarHBondContact OE1-CB 3.28Å; E43-Y53 PolarHBondContact OE1-N 3.27Å; D46-Y53 PolarHBondContact OD2-OH 3.42Å; V48-Y53 HydrophobicContact CG2-CE1 4.05Å; V48-Y53 HydrophobicContact CG2-CE2 3.99Å; G51-Y53 PolarHBondContact O-N 3.36Å; Y53-L57 HydrophobicContact CD1-CD1 4.09Å; Y53-L57 CarbonylContact O-C 3.57Å; Y53-L57 WeakPolarHBondContact O-CB 3.41Å; Y53-L57 PolarHBondContact O-N 3.25Å; Y53-G58 PolarHBondContact O-N 2.84Å; Y53-Q59 PolarHBondContact O-N 3.45Å; Y53-C176 HydrophobicContact CD1-CB 3.84Å; Y53-C176 HydrophobicContact CD2-CB 3.72Å; Y53-C176 HydrophobicContact CE1-CB 3.88Å; Y53-C176 VanDerWaalsContact CE1-SG 3.58Å; Y53-C176 HydrophobicContact CE2-CB 3.76Å; Y53-C176 HydrophobicContact CG-CB 3.78Å |
| 54 | T | 94.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -38.2 | -175.6 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | Q39 E43 G51 G58 Q59 | Q39-T54 HydrophobicContact CB-CG2 3.96Å; E43-T54 PolarHBondContact OE1-N 3.26Å; E43-T54 PolarHBondContact OE1-OG1 2.92Å; E43-T54 VanDerWaalsContact OE1-OG1 3.06Å; G51-T54 VanDerWaalsContact CA-OG1 3.31Å; G51-T54 WeakPolarHBondContact CA-OG1 3.49Å; T54-G58 VanDerWaalsContact O-CA 3.23Å; T54-G58 WeakPolarHBondContact O-CA 3.21Å; T54-Q59 VanDerWaalsContact CA-O 3.23Å; T54-Q59 WeakPolarHBondContact CA-O 3.22Å; T54-Q59 WeakPolarHBondContact CG2-O 3.49Å |
| 55 | I | 91.4 | Very high | 93.4 | Very high | 137 Ų | 137 | 45.5 Ų | 45.5 | 70% | 0.703 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -46.6 | 179.3 | -55.9 | 173 | 0 | 0 | 0 | 110.7 | G51 | G51-I55 CarbonylContact O-C 3.51Å; G51-I55 WeakPolarHBondContact O-CA 3.48Å; G51-I55 VanDerWaalsContact O-CB 3.28Å; G51-I55 WeakPolarHBondContact O-CB 3.33Å; G51-I55 PolarHBondContact O-N 2.79Å |
| 56 | G | 91.7 | Very high | 93 | Very high | 39 Ų | 39 | 41 Ų | 41 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -40.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | G51 K52 K270 | G51-G56 PolarHBondContact O-N 3.02Å; K52-G56 CarbonylContact O-C 3.59Å; K52-G56 WeakPolarHBondContact O-CA 3.28Å; K52-G56 PolarHBondContact O-N 3.25Å; G56-K270 VanDerWaalsContact O-CB 3.25Å; G56-K270 WeakPolarHBondContact O-CB 3.42Å; G56-K270 WeakPolarHBondContact O-CG 3.48Å |
| 57 | L | 92.7 | Very high | 92.5 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -26 | 173 | -56.5 | 179.8 | 0 | 0 | 0 | 112.2 | K52 Y53 Q59 C176 T177 Y268 S269 K270 | K52-L57 PolarHBondContact O-N 3.31Å; Y53-L57 HydrophobicContact CD1-CD1 4.09Å; Y53-L57 CarbonylContact O-C 3.57Å; Y53-L57 WeakPolarHBondContact O-CB 3.41Å; Y53-L57 PolarHBondContact O-N 3.25Å; L57-Q59 HydrophobicContact CB-CG 4.22Å; L57-C176 WeakPolarHBondContact CD1-SG 3.49Å; L57-T177 HydrophobicContact CD1-CG2 4.06Å; L57-Y268 HydrophobicContact CB-CD2 4.32Å; L57-Y268 HydrophobicContact CB-CG 4.28Å; L57-Y268 HydrophobicContact CD2-CD1 4.34Å; L57-Y268 HydrophobicContact CD2-CD2 3.86Å; L57-Y268 HydrophobicContact CD2-CE2 4.09Å; L57-Y268 HydrophobicContact CD2-CG 4.01Å; L57-S269 PolarHBondContact O-N 3.11Å; L57-S269 VanDerWaalsContact O-N 3.08Å; L57-K270 PolarHBondContact O-N 2.73Å |
| 58 | G | 92.2 | Very high | 92 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | trans | 75.6 | 44.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y53 T54 S269 R345 | Y53-G58 PolarHBondContact O-N 2.84Å; T54-G58 VanDerWaalsContact O-CA 3.23Å; T54-G58 WeakPolarHBondContact O-CA 3.21Å; G58-S269 VanDerWaalsContact O-CB 3.28Å; G58-S269 WeakPolarHBondContact O-CB 3.44Å; G58-S269 PolarHBondContact O-OG 3.31Å; G58-R345 WeakPolarHBondContact O-CG 3.37Å | ||
| 59 | Q | 92.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | trans | -121.4 | 130.4 | -179.3 | -68.9 | -65.4 | 2.6 | 0 | 0 | 110.8 | Q39 Y53 T54 L57 P267 S344 | Q39-Q59 WeakPolarHBondContact CB-O 3.32Å; Q39-Q59 HydrophobicContact CG-CB 4.09Å; Q39-Q59 WeakPolarHBondContact CG-O 2.87Å; Y53-Q59 PolarHBondContact O-N 3.45Å; T54-Q59 VanDerWaalsContact CA-O 3.23Å; T54-Q59 WeakPolarHBondContact CA-O 3.22Å; T54-Q59 WeakPolarHBondContact CG2-O 3.49Å; L57-Q59 HydrophobicContact CB-CG 4.22Å; Q59-P267 PolarHBondContact NE2-O 3.16Å; Q59-S344 PolarHBondContact OE1-O 2.72Å | ||
| 60 | L | 93.7 | Very high | 91.3 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 41% | 0.408 | 21% | 0.212 | S | C | . | . | trans | -107.8 | -50.3 | -174.8 | -56.6 | 175.9 | 0 | 0 | 0 | 112.3 | Q39 R345 | Q39-L60 VanDerWaalsContact CB-O 3.3Å; Q39-L60 WeakPolarHBondContact CB-O 3.42Å; Q39-L60 WeakPolarHBondContact CG-O 3.42Å; Q39-L60 PolarHBondContact N-O 3.24Å; L60-R345 WeakPolarHBondContact CA-O 3.48Å; L60-R345 VanDerWaalsContact CB-O 3.32Å; L60-R345 WeakPolarHBondContact CB-O 2.96Å; L60-R345 HydrophobicContact CD1-CB 4.17Å; L60-R345 HydrophobicContact CG-CB 4.21Å; L60-R345 PolarHBondContact N-O 2.97Å | ||
| 61 | E | 94.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.6 | -177.3 | -55.4 | 168.4 | 154.9 | 0 | 0 | 108.6 | Y36 R345 R346 R406 | Y36-E61 HydrophobicContact CD2-CB 3.66Å; Y36-E61 HydrophobicContact CD2-CG 3.74Å; Y36-E61 HydrophobicContact CE2-CB 4.25Å; Y36-E61 HydrophobicContact CE2-CG 3.78Å; Y36-E61 HydrophobicContact CG-CB 4.28Å; E61-R345 PolarHBondContact N-O 3.32Å; E61-R346 WeakPolarHBondContact CB-O 3.33Å; E61-R346 CarbonylContact O-C 3.54Å; E61-R346 VanDerWaalsContact O-O 3.11Å; E61-R346 IonicContact OE1-NE 3.79Å; E61-R346 IonicContact OE1-NH2 3.87Å; E61-R346 WeakPolarHBondContact OE2-CB 3.32Å; E61-R346 IonicContact OE2-CZ 3.96Å; E61-R346 IonicContact OE2-NE 2.63Å; E61-R346 PolarHBondContact OE2-NE 3.42Å; E61-R346 IonicContact OE2-NH2 2.98Å; E61-R406 IonicContact OE2-CZ 3.08Å; E61-R406 IonicContact OE2-NH2 3.15Å; E61-R406 PolarHBondContact OE2-NH2 3.4Å |
| 62 | M | 93 | Very high | 91.2 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.2 | 177.2 | 178 | 170.1 | 60.5 | 0 | 0 | 109.9 | Y36 V37 L42 R175 G178 F414 | Y36-M62 CarbonylContact C-O 3.6Å; Y36-M62 WeakPolarHBondContact CA-O 3.43Å; Y36-M62 WeakPolarHBondContact CB-O 3.32Å; V37-M62 HydrophobicContact CG1-CB 3.91Å; V37-M62 HydrophobicContact CG1-CE 3.46Å; V37-M62 VanDerWaalsContact CG1-CE 3.46Å; V37-M62 HydrophobicContact CG1-CG 4.48Å; V37-M62 PolarHBondContact N-O 3.49Å; V37-M62 PolarHBondContact O-N 3.38Å; L42-M62 HydrophobicContact CD2-CE 3.91Å; M62-R175 VanDerWaalsContact SD-O 3.41Å; M62-G178 VanDerWaalsContact CG-O 3.32Å; M62-G178 WeakPolarHBondContact CG-O 3.44Å; M62-G178 VanDerWaalsContact SD-C 3.5Å; M62-G178 VanDerWaalsContact SD-O 3.4Å; M62-F414 HydrophobicContact CE-CD1 4.37Å; M62-F414 HydrophobicContact CE-CE1 3.52Å; M62-F414 HydrophobicContact CE-CE2 3.88Å; M62-F414 HydrophobicContact CE-CZ 3.21Å; M62-F414 HydrophobicContact SD-CZ 4.42Å |
| 63 | A | 93.5 | Very high | 91 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 140 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P33 I347 | P33-A63 HydrophobicContact CG-CB 4.21Å; A63-I347 HydrophobicContact CB-CG2 4.24Å |
| 64 | V | 91.2 | Very high | 91 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.4 | -175.3 | -179 | 0 | 0 | 0 | 0 | 110.2 | P33 M35 V37 V409 F414 L417 | P33-V64 VanDerWaalsContact CB-O 3.31Å; P33-V64 WeakPolarHBondContact CB-O 3.35Å; M35-V64 HydrophobicContact CB-CB 4.21Å; M35-V64 PolarHBondContact O-N 2.95Å; V37-V64 HydrophobicContact CB-CG2 4.2Å; V37-V64 HydrophobicContact CG1-CG2 4.03Å; V64-V409 HydrophobicContact CB-CG2 4.45Å; V64-V409 HydrophobicContact CG2-CG2 4.1Å; V64-F414 HydrophobicContact CB-CD2 4.37Å; V64-F414 HydrophobicContact CG1-CD2 3.87Å; V64-F414 HydrophobicContact CG1-CE2 4.48Å; V64-F414 HydrophobicContact CG2-CD2 3.53Å; V64-F414 HydrophobicContact CG2-CE2 3.98Å; V64-F414 HydrophobicContact CG2-CG 4.39Å; V64-L417 HydrophobicContact CG1-CD1 3.74Å |
| 65 | C | 89 | Confident | 91.1 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | trans | -89.1 | 137 | 166.6 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | P33 E69 I166 A180 | P33-C65 WeakPolarHBondContact CG-SG 3.4Å; C65-E69 HydrophobicContact CB-CB 4.16Å; C65-I166 HydrophobicContact CB-CD1 4.5Å; C65-A180 WeakPolarHBondContact SG-CB 3.46Å | ||
| 66 | S | 86.2 | Confident | 91.3 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -82.2 | -178.3 | 159.3 | 68.2 | 0 | 0 | 0 | 0 | 110.5 | L68 E69 R421 | S66-L68 PolarHBondContact O-N 3.33Å; S66-L68 VanDerWaalsContact O-N 3.13Å; S66-L68 WeakPolarHBondContact OG-CB 3.45Å; S66-L68 PolarHBondContact OG-N 3.36Å; S66-E69 PolarHBondContact O-N 3.36Å; S66-R421 PolarHBondContact O-NH1 2.93Å | ||
| 67 | D | 83.7 | Confident | 91.5 | Very high | 21 Ų | 21 | 23 Ų | 23 | 11% | 0.112 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 0.9 | 171.2 | 73.2 | -28.8 | 0 | 0 | 0 | 114.5 | R421 Y430 P432 P433 | D67-R421 HydrophobicContact CB-CG 4.32Å; D67-Y430 HydrophobicContact CB-CE1 4.44Å; D67-Y430 PolarHBondContact OD2-OH 3.03Å; D67-P432 VanDerWaalsContact O-CG 3.28Å; D67-P432 WeakPolarHBondContact O-CG 3.47Å; D67-P432 WeakPolarHBondContact OD2-CA 3.23Å; D67-P432 WeakPolarHBondContact OD2-CB 3.34Å; D67-P433 VanDerWaalsContact OD2-CD 3.31Å; D67-P433 WeakPolarHBondContact OD2-CD 3.42Å |
| 68 | L | 83.1 | Confident | 91.6 | Very high | 45 Ų | 45 | 21.3 Ų | 21.3 | 24% | 0.236 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.7 | 173.2 | -66 | 166.6 | 0 | 0 | 0 | 112.8 | S66 P432 S435 I436 | S66-L68 PolarHBondContact O-N 3.33Å; S66-L68 VanDerWaalsContact O-N 3.13Å; S66-L68 WeakPolarHBondContact OG-CB 3.45Å; S66-L68 PolarHBondContact OG-N 3.36Å; L68-P432 HydrophobicContact CD2-CB 3.55Å; L68-P432 HydrophobicContact CD2-CG 4.24Å; L68-P432 HydrophobicContact CG-CB 4.26Å; L68-S435 WeakPolarHBondContact CD1-O 3.44Å; L68-I436 HydrophobicContact CD2-CG1 4.45Å |
| 69 | E | 86.4 | Confident | 91.9 | Very high | 25 Ų | 25 | 20.7 Ų | 20.7 | 12% | 0.117 | 11% | 0.114 | C | C | . | . | trans | -121.4 | 121.6 | 179.7 | -69.2 | 173.8 | 146.9 | 0 | 0 | 109.5 | Y31 C65 S66 S73 R421 | Y31-E69 PolarHBondContact OH-OE1 3.43Å; C65-E69 HydrophobicContact CB-CB 4.16Å; S66-E69 PolarHBondContact O-N 3.36Å; E69-S73 WeakPolarHBondContact CA-OG 3.48Å; E69-R421 PolarHBondContact O-NH1 3.22Å | ||
| 70 | D | 89.2 | Confident | 92.1 | Very high | 67 Ų | 67 | 24.9 Ų | 24.9 | 36% | 0.358 | 13% | 0.132 | S | C | . | . | trans | -121.5 | 176.3 | 171.5 | 66.2 | 20 | 0 | 0 | 0 | 110.8 | C72 S73 I74 I166 | D70-C72 PolarHBondContact O-N 3.47Å; D70-C72 WeakPolarHBondContact OD1-CA 3.47Å; D70-C72 WeakPolarHBondContact OD1-CB 3.23Å; D70-C72 PolarHBondContact OD1-N 2.91Å; D70-S73 PolarHBondContact N-OG 2.93Å; D70-S73 PolarHBondContact O-N 2.86Å; D70-S73 VanDerWaalsContact O-N 3.16Å; D70-S73 PolarHBondContact O-OG 3.39Å; D70-S73 WeakPolarHBondContact OD1-CB 3.36Å; D70-S73 PolarHBondContact OD1-N 2.86Å; D70-S73 PolarHBondContact OD1-OG 2.9Å; D70-I74 PolarHBondContact O-N 3.03Å; D70-I74 VanDerWaalsContact O-N 3.14Å; D70-I166 VanDerWaalsContact C-CD1 3.48Å | ||
| 71 | V | 92.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.4 | -35 | 179.1 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | I74 A75 T100 S102 F104 V110 A164 | V71-I74 WeakPolarHBondContact O-CG1 3.32Å; V71-A75 WeakPolarHBondContact O-CB 3.36Å; V71-A75 PolarHBondContact O-N 3.45Å; V71-T100 HydrophobicContact CG2-CG2 4.38Å; V71-T100 WeakPolarHBondContact CG2-OG1 3.46Å; V71-S102 WeakPolarHBondContact CB-O 3.26Å; V71-S102 WeakPolarHBondContact CG1-O 3.31Å; V71-F104 HydrophobicContact CG1-CD1 4.03Å; V71-V110 HydrophobicContact CG1-CG2 3.71Å; V71-V110 HydrophobicContact CG2-CG2 4.49Å; V71-A164 HydrophobicContact CG2-CB 3.89Å |
| 72 | C | 94.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.8 | -42.7 | -179 | -74.5 | 0 | 0 | 0 | 0 | 111.2 | D70 A75 L76 F104 F113 | D70-C72 PolarHBondContact O-N 3.47Å; D70-C72 WeakPolarHBondContact OD1-CA 3.47Å; D70-C72 WeakPolarHBondContact OD1-CB 3.23Å; D70-C72 PolarHBondContact OD1-N 2.91Å; C72-A75 PolarHBondContact O-N 3.37Å; C72-L76 VanDerWaalsContact O-CB 3.27Å; C72-L76 WeakPolarHBondContact O-CB 3.26Å; C72-L76 VanDerWaalsContact O-CG 3.23Å; C72-L76 WeakPolarHBondContact O-CG 3.36Å; C72-L76 PolarHBondContact O-N 3.45Å; C72-F104 WeakPolarHBondContact SG-CD1 3.39Å; C72-F104 WeakPolarHBondContact SG-CE1 3.3Å; C72-F113 HydrophobicContact CB-CB 4.33Å; C72-F113 HydrophobicContact CB-CD1 4.4Å; C72-F113 HydrophobicContact CB-CG 4.33Å |
| 73 | S | 92.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 22.6 Ų | 22.6 | 23% | 0.231 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | -179.2 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | E69 D70 T77 | E69-S73 WeakPolarHBondContact CA-OG 3.48Å; D70-S73 PolarHBondContact N-OG 2.93Å; D70-S73 PolarHBondContact O-N 2.86Å; D70-S73 VanDerWaalsContact O-N 3.16Å; D70-S73 PolarHBondContact O-OG 3.39Å; D70-S73 WeakPolarHBondContact OD1-CB 3.36Å; D70-S73 PolarHBondContact OD1-N 2.86Å; D70-S73 PolarHBondContact OD1-OG 2.9Å; S73-T77 WeakPolarHBondContact O-CB 3.28Å; S73-T77 PolarHBondContact O-N 3.3Å; S73-T77 PolarHBondContact O-OG1 3.46Å |
| 74 | I | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -38.2 | 176.7 | 69.6 | 176.2 | 0 | 0 | 0 | 111 | Y31 D70 V71 T77 V78 A164 I166 A182 | Y31-I74 HydrophobicContact CD1-CB 3.77Å; Y31-I74 HydrophobicContact CD1-CG2 4.05Å; Y31-I74 HydrophobicContact CE1-CB 3.83Å; Y31-I74 HydrophobicContact CE1-CG2 3.58Å; D70-I74 PolarHBondContact O-N 3.03Å; D70-I74 VanDerWaalsContact O-N 3.14Å; V71-I74 WeakPolarHBondContact O-CG1 3.32Å; I74-T77 PolarHBondContact O-N 2.85Å; I74-V78 PolarHBondContact O-N 2.91Å; I74-A164 HydrophobicContact CD1-CB 4.32Å; I74-A164 HydrophobicContact CG1-CB 4.32Å; I74-I166 HydrophobicContact CD1-CD1 4.25Å; I74-I166 HydrophobicContact CD1-CG1 3.9Å; I74-A182 HydrophobicContact CB-CB 4.25Å; I74-A182 HydrophobicContact CD1-CB 4.19Å; I74-A182 HydrophobicContact CG1-CB 4.02Å |
| 75 | A | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V71 C72 T77 V78 T79 V110 L114 I162 A164 | V71-A75 WeakPolarHBondContact O-CB 3.36Å; V71-A75 PolarHBondContact O-N 3.45Å; C72-A75 PolarHBondContact O-N 3.37Å; A75-T77 VanDerWaalsContact C-N 3.31Å; A75-T77 PolarHBondContact O-N 2.8Å; A75-V78 WeakPolarHBondContact O-CG1 3.39Å; A75-T79 WeakPolarHBondContact O-CB 3.45Å; A75-T79 PolarHBondContact O-N 2.57Å; A75-T79 PolarHBondContact O-OG1 3.43Å; A75-V110 HydrophobicContact CB-CG1 3.89Å; A75-L114 HydrophobicContact CB-CD2 3.89Å; A75-I162 HydrophobicContact CB-CG2 3.88Å; A75-A164 HydrophobicContact CB-CB 4.31Å |
| 76 | L | 96.6 | Very high | 92.7 | Very high | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.3 | -81.7 | 166.6 | 0 | 0 | 0 | 111.1 | C72 K80 L114 L117 | C72-L76 VanDerWaalsContact O-CB 3.27Å; C72-L76 WeakPolarHBondContact O-CB 3.26Å; C72-L76 VanDerWaalsContact O-CG 3.23Å; C72-L76 WeakPolarHBondContact O-CG 3.36Å; C72-L76 PolarHBondContact O-N 3.45Å; L76-K80 WeakPolarHBondContact O-CB 3.48Å; L76-K80 PolarHBondContact O-N 3.16Å; L76-L114 HydrophobicContact CB-CD2 4.35Å; L76-L114 HydrophobicContact CD2-CD2 3.88Å; L76-L114 HydrophobicContact CG-CD2 3.9Å; L76-L117 HydrophobicContact CD2-CD1 3.92Å; L76-L117 HydrophobicContact CD2-CD2 4.5Å; L76-L117 HydrophobicContact CD2-CG 3.9Å |
| 77 | T | 94.4 | Very high | 93 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 34% | 0.344 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64 | -52.3 | -179.3 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | Y31 S73 I74 A75 T79 K80 R81 | Y31-T77 HydrophobicContact CD2-CG2 3.53Å; Y31-T77 HydrophobicContact CE2-CG2 3.64Å; Y31-T77 HydrophobicContact CG-CG2 4Å; S73-T77 WeakPolarHBondContact O-CB 3.28Å; S73-T77 PolarHBondContact O-N 3.3Å; S73-T77 PolarHBondContact O-OG1 3.46Å; I74-T77 PolarHBondContact O-N 2.85Å; A75-T77 VanDerWaalsContact C-N 3.31Å; A75-T77 PolarHBondContact O-N 2.8Å; T77-T79 PolarHBondContact O-N 3.37Å; T77-K80 PolarHBondContact O-N 3.29Å; T77-R81 HydrophobicContact CG2-CG 4.47Å; T77-R81 VanDerWaalsContact O-CG 3.25Å; T77-R81 WeakPolarHBondContact O-CG 3.31Å; T77-R81 PolarHBondContact O-N 3.42Å |
| 78 | V | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | -179.3 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | D29 I74 A75 K80 R81 L82 I162 A182 A184 | D29-V78 HydrophobicContact CB-CG2 4.43Å; D29-V78 WeakPolarHBondContact O-CG2 3.4Å; I74-V78 PolarHBondContact O-N 2.91Å; A75-V78 WeakPolarHBondContact O-CG1 3.39Å; V78-K80 PolarHBondContact O-N 2.85Å; V78-R81 PolarHBondContact O-N 3.07Å; V78-L82 PolarHBondContact O-N 3.2Å; V78-I162 HydrophobicContact CG1-CG2 4.2Å; V78-A182 HydrophobicContact CB-CB 4.16Å; V78-A182 HydrophobicContact CG1-CB 3.68Å; V78-A184 HydrophobicContact CB-CB 4.45Å; V78-A184 HydrophobicContact CG1-CB 4.1Å; V78-A184 HydrophobicContact CG2-CB 3.83Å |
| 79 | T | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -50.2 | 175.3 | -62 | 0 | 0 | 0 | 0 | 110.4 | A75 T77 L82 L83 L117 F118 L160 I162 | A75-T79 WeakPolarHBondContact O-CB 3.45Å; A75-T79 PolarHBondContact O-N 2.57Å; A75-T79 PolarHBondContact O-OG1 3.43Å; T77-T79 PolarHBondContact O-N 3.37Å; T79-L82 PolarHBondContact O-N 3.5Å; T79-L83 HydrophobicContact CG2-CD1 4.08Å; T79-L83 VanDerWaalsContact O-CG 3.32Å; T79-L83 WeakPolarHBondContact O-CG 3.21Å; T79-L83 PolarHBondContact O-N 3Å; T79-L83 VanDerWaalsContact O-N 3.1Å; T79-L117 HydrophobicContact CG2-CD1 3.56Å; T79-F118 HydrophobicContact CG2-CE2 4.21Å; T79-F118 HydrophobicContact CG2-CZ 4.16Å; T79-L160 HydrophobicContact CG2-CD2 3.87Å; T79-I162 WeakPolarHBondContact OG1-CD1 3.15Å |
| 80 | K | 96.5 | Very high | 94.4 | Very high | 100 Ų | 100 | 33.3 Ų | 33.3 | 44% | 0.435 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 179.6 | 178.1 | 162.7 | 176.6 | 41.8 | 0 | 111.9 | L76 T77 V78 L83 D84 L117 | L76-K80 WeakPolarHBondContact O-CB 3.48Å; L76-K80 PolarHBondContact O-N 3.16Å; T77-K80 PolarHBondContact O-N 3.29Å; V78-K80 PolarHBondContact O-N 2.85Å; K80-L83 PolarHBondContact O-N 2.97Å; K80-D84 WeakPolarHBondContact CE-OD2 3.4Å; K80-D84 WeakPolarHBondContact CG-OD2 3.28Å; K80-D84 VanDerWaalsContact NZ-CG 3.27Å; K80-D84 IonicContact NZ-OD1 3.83Å; K80-D84 PolarHBondContact NZ-OD1 3.1Å; K80-D84 IonicContact NZ-OD2 3.36Å; K80-D84 PolarHBondContact NZ-OD2 2.86Å; K80-D84 WeakPolarHBondContact O-CB 3.16Å; K80-D84 VanDerWaalsContact O-CG 3.23Å; K80-D84 PolarHBondContact O-N 3.39Å; K80-L117 HydrophobicContact CB-CD1 4.12Å; K80-L117 HydrophobicContact CB-CD2 4.43Å; K80-L117 HydrophobicContact CD-CD2 4.42Å |
| 81 | R | 94.7 | Very high | 94.6 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 19% | 0.185 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 178.1 | -73.2 | 174.3 | 64.3 | 76.5 | -2.3 | 111.5 | D29 T77 V78 L83 D84 H85 S399 | D29-R81 IonicContact OD1-NE 2.74Å; D29-R81 VanDerWaalsContact OD2-CB 3.31Å; D29-R81 WeakPolarHBondContact OD2-CB 3.42Å; D29-R81 IonicContact OD2-NE 3.94Å; T77-R81 HydrophobicContact CG2-CG 4.47Å; T77-R81 VanDerWaalsContact O-CG 3.25Å; T77-R81 WeakPolarHBondContact O-CG 3.31Å; T77-R81 PolarHBondContact O-N 3.42Å; V78-R81 PolarHBondContact O-N 3.07Å; R81-L83 PolarHBondContact O-N 3.16Å; R81-D84 PolarHBondContact O-N 2.91Å; R81-H85 WeakPolarHBondContact O-CB 3.26Å; R81-H85 VanDerWaalsContact O-CG 3.3Å; R81-H85 PolarHBondContact O-N 3.07Å; R81-S399 PolarHBondContact NH2-OG 2.87Å |
| 82 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 177.3 | -177.9 | 147.8 | 0 | 0 | 0 | 111.3 | D29 V78 T79 D84 H85 Y86 L160 A184 L186 | D29-L82 HydrophobicContact CB-CB 3.85Å; D29-L82 HydrophobicContact CB-CD1 4.43Å; D29-L82 HydrophobicContact CB-CG 4.47Å; D29-L82 PolarHBondContact OD2-N 3.47Å; V78-L82 PolarHBondContact O-N 3.2Å; T79-L82 PolarHBondContact O-N 3.5Å; L82-D84 VanDerWaalsContact C-N 3.29Å; L82-D84 PolarHBondContact O-N 3.34Å; L82-H85 PolarHBondContact O-N 3.46Å; L82-Y86 HydrophobicContact CG-CD2 4.02Å; L82-Y86 HydrophobicContact CG-CE2 4.29Å; L82-Y86 VanDerWaalsContact O-CD2 3.29Å; L82-Y86 WeakPolarHBondContact O-CD2 3.3Å; L82-Y86 PolarHBondContact O-N 3.17Å; L82-L160 HydrophobicContact CD1-CD1 4.22Å; L82-L160 HydrophobicContact CD2-CD1 3.85Å; L82-A184 HydrophobicContact CB-CB 3.91Å; L82-A184 HydrophobicContact CD1-CB 3.59Å; L82-A184 WeakPolarHBondContact CD1-O 3.45Å; L82-A184 HydrophobicContact CG-CB 4.34Å; L82-L186 HydrophobicContact CD1-CB 4.35Å; L82-L186 HydrophobicContact CD2-CB 4.22Å; L82-L186 HydrophobicContact CD2-CD1 4.33Å |
| 83 | L | 96.6 | Very high | 95 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | -179.9 | -66.6 | 171.7 | 0 | 0 | 0 | 111.5 | T79 K80 R81 G87 V88 P90 I93 F118 | T79-L83 HydrophobicContact CG2-CD1 4.08Å; T79-L83 VanDerWaalsContact O-CG 3.32Å; T79-L83 WeakPolarHBondContact O-CG 3.21Å; T79-L83 PolarHBondContact O-N 3Å; T79-L83 VanDerWaalsContact O-N 3.1Å; K80-L83 PolarHBondContact O-N 2.97Å; R81-L83 PolarHBondContact O-N 3.16Å; L83-G87 CarbonylContact O-C 3.43Å; L83-G87 WeakPolarHBondContact O-CA 3.25Å; L83-G87 PolarHBondContact O-N 3.17Å; L83-V88 HydrophobicContact CD2-CB 3.96Å; L83-V88 HydrophobicContact CD2-CG1 3.9Å; L83-V88 PolarHBondContact O-N 3.06Å; L83-P90 HydrophobicContact CD1-CG 4.25Å; L83-I93 HydrophobicContact CD2-CD1 4.36Å; L83-I93 HydrophobicContact CD2-CG1 4.22Å; L83-F118 HydrophobicContact CD1-CE1 4.44Å; L83-F118 HydrophobicContact CD1-CZ 4.29Å |
| 84 | D | 92.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 35 Ų | 35 | 52% | 0.524 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.1 | -42.7 | 179.3 | -69.1 | -17.1 | 0 | 0 | 0 | 112.4 | K80 R81 L82 G87 | K80-D84 WeakPolarHBondContact CE-OD2 3.4Å; K80-D84 WeakPolarHBondContact CG-OD2 3.28Å; K80-D84 VanDerWaalsContact NZ-CG 3.27Å; K80-D84 IonicContact NZ-OD1 3.83Å; K80-D84 PolarHBondContact NZ-OD1 3.1Å; K80-D84 IonicContact NZ-OD2 3.36Å; K80-D84 PolarHBondContact NZ-OD2 2.86Å; K80-D84 WeakPolarHBondContact O-CB 3.16Å; K80-D84 VanDerWaalsContact O-CG 3.23Å; K80-D84 PolarHBondContact O-N 3.39Å; R81-D84 PolarHBondContact O-N 2.91Å; L82-D84 VanDerWaalsContact C-N 3.29Å; L82-D84 PolarHBondContact O-N 3.34Å; D84-G87 PolarHBondContact O-N 2.98Å |
| 85 | H | 91.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.2 | -34.1 | -177.8 | -75.2 | 163.2 | 0 | 0 | 0 | 113.3 | D29 R81 L82 T395 | D29-H85 IonicContact OD2-CE1 3.66Å; D29-H85 PolarHBondContact OD2-CE1 2.89Å; D29-H85 IonicContact OD2-CG 2.59Å; D29-H85 IonicContact OD2-ND1 3.43Å; D29-H85 PolarHBondContact OD2-ND1 2.74Å; R81-H85 WeakPolarHBondContact O-CB 3.26Å; R81-H85 VanDerWaalsContact O-CG 3.3Å; R81-H85 PolarHBondContact O-N 3.07Å; L82-H85 PolarHBondContact O-N 3.46Å; H85-T395 HydrophobicContact CB-CG2 4.01Å; H85-T395 WeakPolarHBondContact ND1-CG2 3.07Å |
| 86 | Y | 93.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -94.4 | -5.2 | 177.3 | -68.7 | -97.3 | 0 | 0 | 0 | 112.8 | G27 M28 L82 V88 Q391 I392 T395 | G27-Y86 WeakPolarHBondContact CA-OH 3.18Å; M28-Y86 PolarHBondContact N-OH 2.94Å; M28-Y86 PolarHBondContact O-OH 3.37Å; L82-Y86 HydrophobicContact CG-CD2 4.02Å; L82-Y86 HydrophobicContact CG-CE2 4.29Å; L82-Y86 VanDerWaalsContact O-CD2 3.29Å; L82-Y86 WeakPolarHBondContact O-CD2 3.3Å; L82-Y86 PolarHBondContact O-N 3.17Å; Y86-V88 PolarHBondContact O-N 3.43Å; Y86-Q391 HydrophobicContact CD1-CG 4.3Å; Y86-Q391 HydrophobicContact CE1-CG 3.91Å; Y86-I392 WeakPolarHBondContact OH-CA 3.45Å; Y86-T395 HydrophobicContact CE2-CG2 3.88Å |
| 87 | G | 91.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 35.9 Ų | 35.9 | 64% | 0.639 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 26.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L83 D84 | L83-G87 CarbonylContact O-C 3.43Å; L83-G87 WeakPolarHBondContact O-CA 3.25Å; L83-G87 PolarHBondContact O-N 3.17Å; D84-G87 PolarHBondContact O-N 2.98Å |
| 88 | V | 93.2 | Very high | 95.8 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -82.7 | 120.8 | -177.6 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | L83 Y86 E92 I93 Y158 L186 | L83-V88 HydrophobicContact CD2-CB 3.96Å; L83-V88 HydrophobicContact CD2-CG1 3.9Å; L83-V88 PolarHBondContact O-N 3.06Å; Y86-V88 PolarHBondContact O-N 3.43Å; V88-E92 HydrophobicContact CG1-CB 4.01Å; V88-I93 HydrophobicContact CG1-CD1 3.76Å; V88-I93 HydrophobicContact CG1-CG1 4.44Å; V88-Y158 HydrophobicContact CG1-CD2 4.2Å; V88-L186 HydrophobicContact CG2-CD2 3.93Å | ||
| 89 | S | 93.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | trans | -64.7 | 138.6 | 172 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | C91 E92 | S89-C91 PolarHBondContact O-N 3.08Å; S89-C91 PolarHBondContact OG-N 3.41Å; S89-E92 WeakPolarHBondContact CB-OE2 3.37Å; S89-E92 PolarHBondContact N-OE2 3.19Å; S89-E92 WeakPolarHBondContact O-CB 3.19Å; S89-E92 PolarHBondContact O-N 3.39Å | ||
| 90 | P | 96 | Very high | 95.7 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -54 | -23 | 171.2 | -29.3 | 38.1 | 0 | 0 | 0 | 113.7 | L83 E92 I93 L117 F118 K121 N123 | L83-P90 HydrophobicContact CD1-CG 4.25Å; P90-E92 VanDerWaalsContact C-N 3.31Å; P90-E92 PolarHBondContact O-N 2.71Å; P90-I93 PolarHBondContact O-N 2.82Å; P90-L117 WeakPolarHBondContact CG-O 3.3Å; P90-F118 HydrophobicContact CB-CB 4.47Å; P90-F118 HydrophobicContact CB-CD1 3.63Å; P90-F118 HydrophobicContact CB-CE1 4.16Å; P90-F118 HydrophobicContact CB-CG 4.29Å; P90-F118 WeakPolarHBondContact O-CD1 3.5Å; P90-K121 HydrophobicContact CB-CB 4.09Å; P90-K121 HydrophobicContact CB-CG 4.09Å; P90-K121 HydrophobicContact CG-CB 4.21Å; P90-K121 HydrophobicContact CG-CG 3.67Å; P90-N123 PolarHBondContact O-ND2 3.14Å |
| 91 | C | 94.5 | Very high | 95.3 | Very high | 58 Ų | 58 | 29.7 Ų | 29.7 | 39% | 0.392 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -73.7 | -15.9 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 114.5 | S89 I93 K121 | S89-C91 PolarHBondContact O-N 3.08Å; S89-C91 PolarHBondContact OG-N 3.41Å; C91-I93 VanDerWaalsContact C-N 3.29Å; C91-K121 PolarHBondContact SG-O 2.91Å |
| 92 | E | 96.5 | Very high | 95.1 | Very high | 83 Ų | 83 | 28 Ų | 28 | 39% | 0.388 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -85.4 | -1.8 | 176.5 | -67.1 | 172.7 | 80 | 0 | 0 | 112.7 | V88 S89 P90 R157 Y158 | V88-E92 HydrophobicContact CG1-CB 4.01Å; S89-E92 WeakPolarHBondContact CB-OE2 3.37Å; S89-E92 PolarHBondContact N-OE2 3.19Å; S89-E92 WeakPolarHBondContact O-CB 3.19Å; S89-E92 PolarHBondContact O-N 3.39Å; P90-E92 VanDerWaalsContact C-N 3.31Å; P90-E92 PolarHBondContact O-N 2.71Å; E92-R157 VanDerWaalsContact O-CB 3.28Å; E92-R157 WeakPolarHBondContact O-CB 3.45Å; E92-Y158 HydrophobicContact CB-CD2 4.23Å; E92-Y158 PolarHBondContact O-N 2.92Å |
| 93 | I | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.8 | 174.1 | -52.6 | -51.7 | 0 | 0 | 0 | 108.9 | L83 V88 P90 C91 R95 F118 N123 L126 R157 Y158 L160 L186 | L83-I93 HydrophobicContact CD2-CD1 4.36Å; L83-I93 HydrophobicContact CD2-CG1 4.22Å; V88-I93 HydrophobicContact CG1-CD1 3.76Å; V88-I93 HydrophobicContact CG1-CG1 4.44Å; P90-I93 PolarHBondContact O-N 2.82Å; C91-I93 VanDerWaalsContact C-N 3.29Å; I93-R95 WeakPolarHBondContact CG2-O 3.31Å; I93-F118 HydrophobicContact CB-CD1 4.47Å; I93-F118 HydrophobicContact CB-CE1 3.87Å; I93-F118 HydrophobicContact CG1-CE1 3.78Å; I93-F118 HydrophobicContact CG2-CE1 4.17Å; I93-N123 PolarHBondContact O-ND2 3.06Å; I93-L126 HydrophobicContact CB-CD2 3.86Å; I93-L126 HydrophobicContact CG2-CD2 3.81Å; I93-L126 VanDerWaalsContact O-CD2 3.26Å; I93-L126 WeakPolarHBondContact O-CD2 3.43Å; I93-R157 PolarHBondContact O-NH1 2.98Å; I93-Y158 WeakPolarHBondContact CA-O 3.34Å; I93-L160 HydrophobicContact CD1-CB 4.47Å; I93-L160 HydrophobicContact CG2-CB 3.93Å; I93-L186 HydrophobicContact CD1-CD1 3.64Å |
| 94 | G | 97.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -15.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L126 G127 R157 Y158 | G94-L126 CarbonylContact O-C 3.5Å; G94-L126 VanDerWaalsContact O-CA 3.3Å; G94-L126 WeakPolarHBondContact O-CA 3.34Å; G94-G127 PolarHBondContact O-N 3.4Å; G94-R157 VanDerWaalsContact CA-NE 3.34Å; G94-Y158 PolarHBondContact N-O 3.49Å |
| 95 | R | 98.2 | Very high | 92.6 | Very high | 57 Ų | 57 | 33 Ų | 33 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 137 | 177.3 | -169.6 | 170.1 | -170.7 | 111.4 | 3.5 | 110.9 | I93 E97 G127 W148 A159 L160 | I93-R95 WeakPolarHBondContact CG2-O 3.31Å; R95-E97 HydrophobicContact CG-CG 4.29Å; R95-E97 IonicContact CZ-OE1 2.68Å; R95-E97 IonicContact NE-OE1 2.98Å; R95-E97 PolarHBondContact NE-OE1 3.01Å; R95-E97 IonicContact NH2-OE1 2.67Å; R95-E97 PolarHBondContact NH2-OE1 3.27Å; R95-G127 WeakPolarHBondContact CA-O 3.28Å; R95-W148 HydrophobicContact CB-CD2 3.95Å; R95-W148 HydrophobicContact CB-CE3 3.73Å; R95-W148 HydrophobicContact CB-CH2 4.24Å; R95-W148 HydrophobicContact CB-CZ2 4.45Å; R95-W148 HydrophobicContact CB-CZ3 3.88Å; R95-W148 VanDerWaalsContact CD-CB 3.45Å; R95-W148 HydrophobicContact CG-CD2 4.39Å; R95-W148 HydrophobicContact CG-CE3 4.46Å; R95-W148 VanDerWaalsContact NH1-CD1 3.34Å; R95-A159 HydrophobicContact CB-CB 3.92Å; R95-A159 CarbonylContact O-C 3.6Å; R95-A159 WeakPolarHBondContact O-CA 3.35Å; R95-L160 PolarHBondContact O-N 3.3Å |
| 96 | L | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 109.1 | 176.3 | 171.2 | 61.3 | 0 | 0 | 0 | 108.7 | K111 L114 F118 G127 G128 L160 I162 | L96-K111 HydrophobicContact CD2-CG 3.96Å; L96-K111 HydrophobicContact CG-CG 4.09Å; L96-K111 WeakPolarHBondContact O-CD 3.44Å; L96-K111 PolarHBondContact O-NZ 3.02Å; L96-L114 HydrophobicContact CD1-CD1 4.21Å; L96-L114 HydrophobicContact CD2-CB 3.87Å; L96-L114 HydrophobicContact CD2-CD1 4.12Å; L96-F118 HydrophobicContact CD2-CD2 4.31Å; L96-F118 HydrophobicContact CD2-CE2 3.7Å; L96-F118 HydrophobicContact CD2-CZ 4.18Å; L96-G127 PolarHBondContact N-O 3.24Å; L96-G128 CarbonylContact O-C 3.52Å; L96-G128 WeakPolarHBondContact O-CA 3.47Å; L96-L160 CarbonylContact C-O 3.18Å; L96-L160 WeakPolarHBondContact CA-O 3.45Å; L96-L160 HydrophobicContact CD1-CB 4.02Å; L96-L160 HydrophobicContact CD1-CD2 4.03Å; L96-L160 HydrophobicContact CD1-CG 4.03Å; L96-I162 HydrophobicContact CD1-CG1 3.88Å |
| 97 | E | 98.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.1 | 175.5 | -62.1 | -71.8 | -175 | 0 | 0 | 109.5 | R95 G128 I129 A141 N144 A145 L160 V161 I162 | R95-E97 HydrophobicContact CG-CG 4.29Å; R95-E97 IonicContact CZ-OE1 2.68Å; R95-E97 IonicContact NE-OE1 2.98Å; R95-E97 PolarHBondContact NE-OE1 3.01Å; R95-E97 IonicContact NH2-OE1 2.67Å; R95-E97 PolarHBondContact NH2-OE1 3.27Å; E97-G128 WeakPolarHBondContact OE1-CA 3.28Å; E97-G128 WeakPolarHBondContact OE2-CA 3.36Å; E97-I129 PolarHBondContact OE2-N 2.73Å; E97-A141 HydrophobicContact CB-CB 3.94Å; E97-N144 HydrophobicContact CG-CB 4.13Å; E97-N144 WeakPolarHBondContact OE1-CB 3.48Å; E97-A145 HydrophobicContact CG-CB 4.28Å; E97-L160 PolarHBondContact N-O 3.4Å; E97-V161 HydrophobicContact CB-CG2 4.49Å; E97-V161 CarbonylContact O-C 3.58Å; E97-V161 WeakPolarHBondContact O-CA 3.07Å; E97-I162 PolarHBondContact O-N 3.14Å |
| 98 | V | 98.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.9 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | T100 V110 K111 L114 I129 D130 S131 I162 | V98-T100 HydrophobicContact CG1-CG2 4Å; V98-V110 HydrophobicContact CG1-CB 4.09Å; V98-V110 HydrophobicContact CG1-CG1 4.14Å; V98-K111 HydrophobicContact CG2-CB 3.9Å; V98-L114 HydrophobicContact CG2-CD1 3.77Å; V98-I129 PolarHBondContact N-O 3.13Å; V98-I129 VanDerWaalsContact N-O 3.07Å; V98-D130 CarbonylContact O-C 3.48Å; V98-D130 VanDerWaalsContact O-CA 3.24Å; V98-D130 WeakPolarHBondContact O-CA 3.42Å; V98-S131 PolarHBondContact O-N 3.13Å; V98-I162 CarbonylContact C-O 3.52Å; V98-I162 VanDerWaalsContact CA-O 3.28Å; V98-I162 WeakPolarHBondContact CA-O 3.28Å; V98-I162 HydrophobicContact CG1-CB 4.46Å; V98-I162 HydrophobicContact CG2-CB 4.26Å |
| 99 | G | 97 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | S131 I162 A163 A164 | G99-S131 WeakPolarHBondContact CA-O 3.42Å; G99-I162 PolarHBondContact N-O 3.39Å; G99-A163 WeakPolarHBondContact O-CA 3.49Å; G99-A164 PolarHBondContact O-N 2.86Å; G99-A164 VanDerWaalsContact O-N 3.17Å |
| 100 | T | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -162.8 | 144.4 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | V71 V98 S102 H103 V110 S131 A164 | V71-T100 HydrophobicContact CG2-CG2 4.38Å; V71-T100 WeakPolarHBondContact CG2-OG1 3.46Å; V98-T100 HydrophobicContact CG1-CG2 4Å; T100-S102 PolarHBondContact OG1-N 3.27Å; T100-S102 VanDerWaalsContact OG1-N 3.11Å; T100-H103 PolarHBondContact O-CE1 3.12Å; T100-H103 PolarHBondContact O-NE2 3.03Å; T100-H103 VanDerWaalsContact O-NE2 3.17Å; T100-V110 HydrophobicContact CG2-CG2 4.05Å; T100-S131 PolarHBondContact N-O 2.82Å; T100-A164 WeakPolarHBondContact CB-O 3.3Å; T100-A164 PolarHBondContact OG1-O 3.19Å | ||
| 101 | E | 89.8 | Confident | 91.9 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -105.1 | 0.2 | 168.9 | 72 | -88.7 | -125.7 | 0 | 0 | 112.8 | H103 I132 A134 C135 K212 | E101-H103 VanDerWaalsContact C-N 3.3Å; E101-H103 PolarHBondContact O-N 3.06Å; E101-I132 HydrophobicContact CB-CG1 4.45Å; E101-A134 VanDerWaalsContact CD-C 3.42Å; E101-C135 PolarHBondContact OE1-N 2.79Å; E101-C135 VanDerWaalsContact OE1-N 3.07Å; E101-C135 PolarHBondContact OE1-SG 3.03Å; E101-K212 PolarHBondContact O-NZ 3.29Å |
| 102 | S | 88.9 | Confident | 92 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | trans | -97.4 | 42.4 | -176.4 | -78.5 | 0 | 0 | 0 | 0 | 111.4 | V71 T100 F104 D165 I166 | V71-S102 WeakPolarHBondContact CB-O 3.26Å; V71-S102 WeakPolarHBondContact CG1-O 3.31Å; T100-S102 PolarHBondContact OG1-N 3.27Å; T100-S102 VanDerWaalsContact OG1-N 3.11Å; S102-F104 PolarHBondContact O-N 2.87Å; S102-D165 WeakPolarHBondContact CB-OD1 3.1Å; S102-D165 PolarHBondContact OG-OD1 2.72Å; S102-I166 PolarHBondContact OG-N 3.42Å; S102-I166 PolarHBondContact OG-O 2.73Å | ||
| 103 | H | 75.3 | Confident | 91.8 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 30% | 0.296 | 20% | 0.198 | S | C | . | . | trans | -62.1 | 133.9 | 179.9 | -60.3 | -55.7 | 0 | 0 | 0 | 112.2 | T100 E101 D130 I132 | T100-H103 PolarHBondContact O-CE1 3.12Å; T100-H103 PolarHBondContact O-NE2 3.03Å; T100-H103 VanDerWaalsContact O-NE2 3.17Å; E101-H103 VanDerWaalsContact C-N 3.3Å; E101-H103 PolarHBondContact O-N 3.06Å; H103-D130 IonicContact CE1-OD2 3.88Å; H103-D130 IonicContact ND1-OD2 2.65Å; H103-I132 VanDerWaalsContact CD2-CD1 3.46Å; H103-I132 WeakPolarHBondContact CD2-CD1 3.48Å; H103-I132 WeakPolarHBondContact NE2-CD1 3.49Å | ||
| 104 | F | 77 | Confident | 91.8 | Very high | 80 Ų | 80 | 40.5 Ų | 40.5 | 35% | 0.351 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -87 | -19.4 | 173.2 | 70.7 | -77.6 | 0 | 0 | 0 | 112 | V71 C72 S102 K108 V110 F113 | V71-F104 HydrophobicContact CG1-CD1 4.03Å; C72-F104 WeakPolarHBondContact SG-CD1 3.39Å; C72-F104 WeakPolarHBondContact SG-CE1 3.3Å; S102-F104 PolarHBondContact O-N 2.87Å; F104-K108 HydrophobicContact CZ-CB 4.38Å; F104-K108 HydrophobicContact CZ-CG 4.44Å; F104-K108 WeakPolarHBondContact CZ-O 3.31Å; F104-V110 HydrophobicContact CD1-CG2 4.27Å; F104-V110 HydrophobicContact CE1-CG2 4.03Å; F104-F113 HydrophobicContact CD2-CE2 4.49Å; F104-F113 HydrophobicContact CD2-CZ 4.4Å; F104-F113 AromaticContact CE1-CD2 3.92Å; F104-F113 HydrophobicContact CE1-CD2 3.92Å; F104-F113 AromaticContact CE1-CE2 3.75Å; F104-F113 HydrophobicContact CE1-CE2 3.75Å; F104-F113 HydrophobicContact CE1-CZ 4.46Å; F104-F113 HydrophobicContact CE2-CD2 4.3Å; F104-F113 AromaticContact CE2-CE2 3.34Å; F104-F113 HydrophobicContact CE2-CE2 3.34Å; F104-F113 AromaticContact CE2-CZ 3.45Å; F104-F113 HydrophobicContact CE2-CZ 3.45Å; F104-F113 VanDerWaalsContact CE2-CZ 3.45Å; F104-F113 AromaticContact CZ-CD2 3.57Å; F104-F113 HydrophobicContact CZ-CD2 3.57Å; F104-F113 AromaticContact CZ-CE2 2.94Å; F104-F113 HydrophobicContact CZ-CE2 2.94Å; F104-F113 AromaticContact CZ-CZ 3.6Å; F104-F113 HydrophobicContact CZ-CZ 3.6Å |
| 105 | D | 82.8 | Confident | 91.8 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -135.8 | 146.8 | 178.5 | -171.7 | -64.9 | 0 | 0 | 0 | 109.9 | S107 K108 | D105-S107 PolarHBondContact OD1-N 2.83Å; D105-K108 HydrophobicContact CB-CB 3.99Å; D105-K108 PolarHBondContact OD1-N 3.28Å |
| 106 | R | 80.1 | Confident | 91.6 | Very high | 189 Ų | 189 | 44.8 Ų | 44.8 | 71% | 0.713 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -82.9 | -12.9 | -174.8 | -64.6 | -179.1 | 178.4 | -143.2 | -21 | 114.4 | N215 | R106-N215 PolarHBondContact NH1-ND2 3.47Å; R106-N215 PolarHBondContact NH1-OD1 3.42Å; R106-N215 VanDerWaalsContact NH2-CA 3.35Å; R106-N215 VanDerWaalsContact NH2-CB 3.28Å; R106-N215 PolarHBondContact NH2-OD1 3.27Å |
| 107 | S | 87.8 | Confident | 91.4 | Very high | 114 Ų | 114 | 46.4 Ų | 46.4 | 80% | 0.797 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -128.1 | -42.7 | -177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | D105 S109 | D105-S107 PolarHBondContact OD1-N 2.83Å; S107-S109 PolarHBondContact O-N 3.33Å |
| 108 | K | 91.2 | Very high | 91.3 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -78.9 | 117.3 | -179.7 | -169.7 | 171 | 175.2 | 51.4 | 0 | 110.6 | F104 D105 T112 F113 | F104-K108 HydrophobicContact CZ-CB 4.38Å; F104-K108 HydrophobicContact CZ-CG 4.44Å; F104-K108 WeakPolarHBondContact CZ-O 3.31Å; D105-K108 HydrophobicContact CB-CB 3.99Å; D105-K108 PolarHBondContact OD1-N 3.28Å; K108-T112 VanDerWaalsContact CG-OG1 3.27Å; K108-T112 WeakPolarHBondContact CG-OG1 3.44Å; K108-T112 PolarHBondContact NZ-OG1 3.37Å; K108-F113 HydrophobicContact CD-CD2 4.49Å; K108-F113 HydrophobicContact CD-CE2 3.56Å; K108-F113 HydrophobicContact CD-CZ 4.09Å; K108-F113 HydrophobicContact CG-CD2 4.47Å; K108-F113 HydrophobicContact CG-CE2 3.82Å |
| 109 | S | 94.7 | Very high | 91 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | trans | -78.5 | 151.8 | -176.6 | 108.7 | 0 | 0 | 0 | 0 | 112.6 | S107 K111 T112 D130 | S107-S109 PolarHBondContact O-N 3.33Å; S109-K111 VanDerWaalsContact C-N 3.28Å; S109-K111 PolarHBondContact O-N 3.38Å; S109-K111 WeakPolarHBondContact OG-CB 3.34Å; S109-K111 PolarHBondContact OG-N 3.28Å; S109-T112 WeakPolarHBondContact O-CB 3.48Å; S109-T112 PolarHBondContact O-N 3.23Å; S109-T112 PolarHBondContact O-OG1 3.01Å; S109-T112 PolarHBondContact OG-N 3Å; S109-D130 WeakPolarHBondContact CB-OD1 3.38Å; S109-D130 PolarHBondContact OG-OD1 3.34Å | ||
| 110 | V | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -38 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | V71 A75 V98 T100 F104 T112 F113 L114 D130 | V71-V110 HydrophobicContact CG1-CG2 3.71Å; V71-V110 HydrophobicContact CG2-CG2 4.49Å; A75-V110 HydrophobicContact CB-CG1 3.89Å; V98-V110 HydrophobicContact CG1-CB 4.09Å; V98-V110 HydrophobicContact CG1-CG1 4.14Å; T100-V110 HydrophobicContact CG2-CG2 4.05Å; F104-V110 HydrophobicContact CD1-CG2 4.27Å; F104-V110 HydrophobicContact CE1-CG2 4.03Å; V110-T112 PolarHBondContact O-N 3.27Å; V110-T112 VanDerWaalsContact O-N 3.15Å; V110-F113 WeakPolarHBondContact O-CA 3.36Å; V110-F113 WeakPolarHBondContact O-CB 3.42Å; V110-F113 PolarHBondContact O-N 3.46Å; V110-L114 HydrophobicContact CG1-CD1 4.47Å; V110-L114 HydrophobicContact CG1-CG 4.36Å; V110-L114 PolarHBondContact O-N 3.38Å; V110-D130 WeakPolarHBondContact CB-OD2 3.15Å; V110-D130 PolarHBondContact N-OD1 3.2Å; V110-D130 PolarHBondContact N-OD2 3.17Å |
| 111 | K | 95.8 | Very high | 90 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -48.9 | -43.2 | 171.5 | 172.7 | -168.9 | 167 | 78.8 | 0 | 111.7 | L96 V98 S109 F113 L114 M115 L126 G127 G128 I129 D130 | L96-K111 HydrophobicContact CD2-CG 3.96Å; L96-K111 HydrophobicContact CG-CG 4.09Å; L96-K111 WeakPolarHBondContact O-CD 3.44Å; L96-K111 PolarHBondContact O-NZ 3.02Å; V98-K111 HydrophobicContact CG2-CB 3.9Å; S109-K111 VanDerWaalsContact C-N 3.28Å; S109-K111 PolarHBondContact O-N 3.38Å; S109-K111 WeakPolarHBondContact OG-CB 3.34Å; S109-K111 PolarHBondContact OG-N 3.28Å; K111-F113 PolarHBondContact O-N 3.32Å; K111-L114 WeakPolarHBondContact O-CB 3.28Å; K111-L114 PolarHBondContact O-N 3.49Å; K111-L114 VanDerWaalsContact O-N 3.09Å; K111-M115 WeakPolarHBondContact O-CG 3.44Å; K111-M115 PolarHBondContact O-N 2.95Å; K111-L126 PolarHBondContact NZ-O 3.37Å; K111-G127 PolarHBondContact NZ-O 2.67Å; K111-G128 WeakPolarHBondContact CD-O 3.35Å; K111-G128 WeakPolarHBondContact CE-O 3.36Å; K111-G128 PolarHBondContact NZ-O 3.33Å; K111-I129 HydrophobicContact CD-CD1 4.33Å; K111-D130 WeakPolarHBondContact CB-OD1 3.38Å; K111-D130 PolarHBondContact N-OD1 3.35Å |
| 112 | T | 95 | Very high | 89.9 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -23 | -178.9 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | K108 S109 V110 | K108-T112 VanDerWaalsContact CG-OG1 3.27Å; K108-T112 WeakPolarHBondContact CG-OG1 3.44Å; K108-T112 PolarHBondContact NZ-OG1 3.37Å; S109-T112 WeakPolarHBondContact O-CB 3.48Å; S109-T112 PolarHBondContact O-N 3.23Å; S109-T112 PolarHBondContact O-OG1 3.01Å; S109-T112 PolarHBondContact OG-N 3Å; V110-T112 PolarHBondContact O-N 3.27Å; V110-T112 VanDerWaalsContact O-N 3.15Å |
| 113 | F | 93.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.6 | -41.7 | 169.4 | -78.8 | -99.6 | 0 | 0 | 0 | 111.4 | C72 F104 K108 V110 K111 M115 Q116 | C72-F113 HydrophobicContact CB-CB 4.33Å; C72-F113 HydrophobicContact CB-CD1 4.4Å; C72-F113 HydrophobicContact CB-CG 4.33Å; F104-F113 HydrophobicContact CD2-CE2 4.49Å; F104-F113 HydrophobicContact CD2-CZ 4.4Å; F104-F113 AromaticContact CE1-CD2 3.92Å; F104-F113 HydrophobicContact CE1-CD2 3.92Å; F104-F113 AromaticContact CE1-CE2 3.75Å; F104-F113 HydrophobicContact CE1-CE2 3.75Å; F104-F113 HydrophobicContact CE1-CZ 4.46Å; F104-F113 HydrophobicContact CE2-CD2 4.3Å; F104-F113 AromaticContact CE2-CE2 3.34Å; F104-F113 HydrophobicContact CE2-CE2 3.34Å; F104-F113 AromaticContact CE2-CZ 3.45Å; F104-F113 HydrophobicContact CE2-CZ 3.45Å; F104-F113 VanDerWaalsContact CE2-CZ 3.45Å; F104-F113 AromaticContact CZ-CD2 3.57Å; F104-F113 HydrophobicContact CZ-CD2 3.57Å; F104-F113 AromaticContact CZ-CE2 2.94Å; F104-F113 HydrophobicContact CZ-CE2 2.94Å; F104-F113 AromaticContact CZ-CZ 3.6Å; F104-F113 HydrophobicContact CZ-CZ 3.6Å; K108-F113 HydrophobicContact CD-CD2 4.49Å; K108-F113 HydrophobicContact CD-CE2 3.56Å; K108-F113 HydrophobicContact CD-CZ 4.09Å; K108-F113 HydrophobicContact CG-CD2 4.47Å; K108-F113 HydrophobicContact CG-CE2 3.82Å; V110-F113 WeakPolarHBondContact O-CA 3.36Å; V110-F113 WeakPolarHBondContact O-CB 3.42Å; V110-F113 PolarHBondContact O-N 3.46Å; K111-F113 PolarHBondContact O-N 3.32Å; F113-M115 PolarHBondContact O-N 3.4Å; F113-Q116 WeakPolarHBondContact O-CB 3.45Å; F113-Q116 WeakPolarHBondContact O-CG 3.24Å; F113-Q116 PolarHBondContact O-N 3.1Å; F113-Q116 PolarHBondContact O-NE2 2.91Å |
| 114 | L | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -31 | 176.4 | -62.3 | -179.6 | 0 | 0 | 0 | 112.5 | A75 L76 L96 V98 V110 K111 Q116 L117 F118 I162 | A75-L114 HydrophobicContact CB-CD2 3.89Å; L76-L114 HydrophobicContact CB-CD2 4.35Å; L76-L114 HydrophobicContact CD2-CD2 3.88Å; L76-L114 HydrophobicContact CG-CD2 3.9Å; L96-L114 HydrophobicContact CD1-CD1 4.21Å; L96-L114 HydrophobicContact CD2-CB 3.87Å; L96-L114 HydrophobicContact CD2-CD1 4.12Å; V98-L114 HydrophobicContact CG2-CD1 3.77Å; V110-L114 HydrophobicContact CG1-CD1 4.47Å; V110-L114 HydrophobicContact CG1-CG 4.36Å; V110-L114 PolarHBondContact O-N 3.38Å; K111-L114 WeakPolarHBondContact O-CB 3.28Å; K111-L114 PolarHBondContact O-N 3.49Å; K111-L114 VanDerWaalsContact O-N 3.09Å; L114-Q116 PolarHBondContact O-N 3.43Å; L114-L117 WeakPolarHBondContact O-CB 3.42Å; L114-L117 PolarHBondContact O-N 3.3Å; L114-F118 VanDerWaalsContact O-CD2 3.3Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; L114-I162 HydrophobicContact CD1-CB 4.34Å; L114-I162 HydrophobicContact CD1-CG1 3.81Å |
| 115 | M | 97.1 | Very high | 92 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -19.9 | 176 | -76.7 | -55 | -58.6 | 0 | 0 | 114.3 | K111 F113 L117 F118 A119 L126 | K111-M115 WeakPolarHBondContact O-CG 3.44Å; K111-M115 PolarHBondContact O-N 2.95Å; F113-M115 PolarHBondContact O-N 3.4Å; M115-L117 VanDerWaalsContact C-N 3.26Å; M115-L117 PolarHBondContact O-N 3.46Å; M115-F118 HydrophobicContact CE-CB 4.12Å; M115-F118 PolarHBondContact O-N 2.96Å; M115-F118 VanDerWaalsContact O-N 3.13Å; M115-F118 HydrophobicContact SD-CB 4.41Å; M115-F118 HydrophobicContact SD-CD2 4.46Å; M115-A119 WeakPolarHBondContact O-CB 3.24Å; M115-A119 PolarHBondContact O-N 2.9Å; M115-L126 HydrophobicContact CE-CD1 3.5Å; M115-L126 VanDerWaalsContact CE-CD1 3.5Å; M115-L126 HydrophobicContact SD-CD1 3.81Å |
| 116 | Q | 95.4 | Very high | 92.5 | Very high | 113 Ų | 113 | 64.2 Ų | 64.2 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.6 | -38.1 | 171.8 | -67.1 | 173.2 | 90.6 | 0 | 0 | 112.7 | F113 L114 F118 E120 | F113-Q116 WeakPolarHBondContact O-CB 3.45Å; F113-Q116 WeakPolarHBondContact O-CG 3.24Å; F113-Q116 PolarHBondContact O-N 3.1Å; F113-Q116 PolarHBondContact O-NE2 2.91Å; L114-Q116 PolarHBondContact O-N 3.43Å; Q116-F118 VanDerWaalsContact C-N 3.26Å; Q116-F118 PolarHBondContact O-N 2.97Å; Q116-E120 VanDerWaalsContact O-CB 3.32Å; Q116-E120 WeakPolarHBondContact O-CB 3.42Å; Q116-E120 PolarHBondContact O-N 3.21Å |
| 117 | L | 94.6 | Very high | 93.3 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.9 | -23.8 | 178.5 | -61.7 | 176.1 | 0 | 0 | 0 | 112.7 | L76 T79 K80 P90 L114 M115 | L76-L117 HydrophobicContact CD2-CD1 3.92Å; L76-L117 HydrophobicContact CD2-CD2 4.5Å; L76-L117 HydrophobicContact CD2-CG 3.9Å; T79-L117 HydrophobicContact CG2-CD1 3.56Å; K80-L117 HydrophobicContact CB-CD1 4.12Å; K80-L117 HydrophobicContact CB-CD2 4.43Å; K80-L117 HydrophobicContact CD-CD2 4.42Å; P90-L117 WeakPolarHBondContact CG-O 3.3Å; L114-L117 WeakPolarHBondContact O-CB 3.42Å; L114-L117 PolarHBondContact O-N 3.3Å; M115-L117 VanDerWaalsContact C-N 3.26Å; M115-L117 PolarHBondContact O-N 3.46Å |
| 118 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -98.5 | -47.6 | -175.4 | -59.7 | -88.6 | 0 | 0 | 0 | 111.9 | T79 L83 P90 I93 L96 L114 M115 Q116 E120 K121 G122 N123 L126 L160 | T79-F118 HydrophobicContact CG2-CE2 4.21Å; T79-F118 HydrophobicContact CG2-CZ 4.16Å; L83-F118 HydrophobicContact CD1-CE1 4.44Å; L83-F118 HydrophobicContact CD1-CZ 4.29Å; P90-F118 HydrophobicContact CB-CB 4.47Å; P90-F118 HydrophobicContact CB-CD1 3.63Å; P90-F118 HydrophobicContact CB-CE1 4.16Å; P90-F118 HydrophobicContact CB-CG 4.29Å; P90-F118 WeakPolarHBondContact O-CD1 3.5Å; I93-F118 HydrophobicContact CB-CD1 4.47Å; I93-F118 HydrophobicContact CB-CE1 3.87Å; I93-F118 HydrophobicContact CG1-CE1 3.78Å; I93-F118 HydrophobicContact CG2-CE1 4.17Å; L96-F118 HydrophobicContact CD2-CD2 4.31Å; L96-F118 HydrophobicContact CD2-CE2 3.7Å; L96-F118 HydrophobicContact CD2-CZ 4.18Å; L114-F118 VanDerWaalsContact O-CD2 3.3Å; L114-F118 WeakPolarHBondContact O-CD2 3.26Å; M115-F118 HydrophobicContact CE-CB 4.12Å; M115-F118 PolarHBondContact O-N 2.96Å; M115-F118 VanDerWaalsContact O-N 3.13Å; M115-F118 HydrophobicContact SD-CB 4.41Å; M115-F118 HydrophobicContact SD-CD2 4.46Å; Q116-F118 VanDerWaalsContact C-N 3.26Å; Q116-F118 PolarHBondContact O-N 2.97Å; F118-E120 VanDerWaalsContact C-N 3.3Å; F118-E120 PolarHBondContact O-N 2.9Å; F118-K121 CarbonylContact O-C 3.59Å; F118-K121 WeakPolarHBondContact O-CA 3.39Å; F118-K121 PolarHBondContact O-N 3.46Å; F118-G122 PolarHBondContact O-N 3.08Å; F118-N123 CarbonylContact C-O 3.5Å; F118-N123 HydrophobicContact CB-CB 4.4Å; F118-N123 WeakPolarHBondContact CB-O 3.47Å; F118-N123 PolarHBondContact O-N 3.23Å; F118-L126 HydrophobicContact CB-CD1 4.2Å; F118-L126 HydrophobicContact CB-CD2 4.44Å; F118-L126 HydrophobicContact CD1-CD2 3.5Å; F118-L126 VanDerWaalsContact CD1-CD2 3.5Å; F118-L126 HydrophobicContact CE1-CD2 3.93Å; F118-L126 HydrophobicContact CG-CD2 4.02Å; F118-L160 HydrophobicContact CZ-CD2 3.99Å |
| 119 | A | 91.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 52.5 Ų | 52.5 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M115 K121 G122 N123 T124 | M115-A119 WeakPolarHBondContact O-CB 3.24Å; M115-A119 PolarHBondContact O-N 2.9Å; A119-K121 PolarHBondContact O-N 3.49Å; A119-G122 PolarHBondContact O-N 3.32Å; A119-N123 PolarHBondContact N-O 2.98Å; A119-T124 HydrophobicContact CB-CG2 4.21Å |
| 120 | E | 82.9 | Confident | 94 | Very high | 150 Ų | 150 | 53 Ų | 53 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.1 | 173.4 | -171.4 | -175.8 | 165.8 | 0 | 0 | 112.1 | Q116 F118 | Q116-E120 VanDerWaalsContact O-CB 3.32Å; Q116-E120 WeakPolarHBondContact O-CB 3.42Å; Q116-E120 PolarHBondContact O-N 3.21Å; F118-E120 VanDerWaalsContact C-N 3.3Å; F118-E120 PolarHBondContact O-N 2.9Å |
| 121 | K | 86.4 | Confident | 94 | Very high | 121 Ų | 121 | 53.8 Ų | 53.8 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.3 | 176.1 | -57.5 | -50.1 | -176 | -172.6 | 0 | 113.7 | P90 C91 F118 A119 N123 | P90-K121 HydrophobicContact CB-CB 4.09Å; P90-K121 HydrophobicContact CB-CG 4.09Å; P90-K121 HydrophobicContact CG-CB 4.21Å; P90-K121 HydrophobicContact CG-CG 3.67Å; C91-K121 PolarHBondContact SG-O 2.91Å; F118-K121 CarbonylContact O-C 3.59Å; F118-K121 WeakPolarHBondContact O-CA 3.39Å; F118-K121 PolarHBondContact O-N 3.46Å; A119-K121 PolarHBondContact O-N 3.49Å; K121-N123 VanDerWaalsContact C-N 3.34Å |
| 122 | G | 88.1 | Confident | 93.9 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 63% | 0.629 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 5.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | F118 A119 | F118-G122 PolarHBondContact O-N 3.08Å; A119-G122 PolarHBondContact O-N 3.32Å |
| 123 | N | 94.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | trans | -90.7 | 109.6 | 173.4 | -168.1 | 5.7 | 0 | 0 | 0 | 110.5 | P90 I93 F118 A119 K121 D125 L126 | P90-N123 PolarHBondContact O-ND2 3.14Å; I93-N123 PolarHBondContact O-ND2 3.06Å; F118-N123 CarbonylContact C-O 3.5Å; F118-N123 HydrophobicContact CB-CB 4.4Å; F118-N123 WeakPolarHBondContact CB-O 3.47Å; F118-N123 PolarHBondContact O-N 3.23Å; A119-N123 PolarHBondContact N-O 2.98Å; K121-N123 VanDerWaalsContact C-N 3.34Å; N123-D125 PolarHBondContact OD1-N 3.46Å; N123-D125 PolarHBondContact OD1-O 2.93Å; N123-L126 HydrophobicContact CB-CD1 4.37Å; N123-L126 VanDerWaalsContact ND2-CD2 3.3Å; N123-L126 WeakPolarHBondContact ND2-CD2 3.4Å; N123-L126 WeakPolarHBondContact ND2-CG 3.49Å | ||
| 124 | T | 94.9 | Very high | 93.7 | Very high | 109 Ų | 109 | 56 Ų | 56 | 67% | 0.669 | 32% | 0.324 | S | S | * | . | trans | -121 | -1.3 | 174.4 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | A119 | A119-T124 HydrophobicContact CB-CG2 4.21Š| ||
| 125 | D | 95.8 | Very high | 93.5 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | trans | -101.2 | 79.1 | 179.6 | 176.8 | 46.6 | 0 | 0 | 0 | 109.4 | N123 R157 | N123-D125 PolarHBondContact OD1-N 3.46Å; N123-D125 PolarHBondContact OD1-O 2.93Å; D125-R157 PolarHBondContact O-NH1 3.28Å; D125-R157 PolarHBondContact O-NH2 3.45Å; D125-R157 VanDerWaalsContact O-NH2 3.16Å; D125-R157 IonicContact OD2-CZ 2.93Å; D125-R157 IonicContact OD2-NH1 2.63Å; D125-R157 IonicContact OD2-NH2 2.76Å; D125-R157 PolarHBondContact OD2-NH2 2.88Å | ||
| 126 | L | 94.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | trans | -140.9 | 119.7 | 177.5 | -37.8 | 88.8 | 0 | 0 | 0 | 111.8 | I93 G94 K111 M115 F118 N123 | I93-L126 HydrophobicContact CB-CD2 3.86Å; I93-L126 HydrophobicContact CG2-CD2 3.81Å; I93-L126 VanDerWaalsContact O-CD2 3.26Å; I93-L126 WeakPolarHBondContact O-CD2 3.43Å; G94-L126 CarbonylContact O-C 3.5Å; G94-L126 VanDerWaalsContact O-CA 3.3Å; G94-L126 WeakPolarHBondContact O-CA 3.34Å; K111-L126 PolarHBondContact NZ-O 3.37Å; M115-L126 HydrophobicContact CE-CD1 3.5Å; M115-L126 VanDerWaalsContact CE-CD1 3.5Å; M115-L126 HydrophobicContact SD-CD1 3.81Å; F118-L126 HydrophobicContact CB-CD1 4.2Å; F118-L126 HydrophobicContact CB-CD2 4.44Å; F118-L126 HydrophobicContact CD1-CD2 3.5Å; F118-L126 VanDerWaalsContact CD1-CD2 3.5Å; F118-L126 HydrophobicContact CE1-CD2 3.93Å; F118-L126 HydrophobicContact CG-CD2 4.02Å; N123-L126 HydrophobicContact CB-CD1 4.37Å; N123-L126 VanDerWaalsContact ND2-CD2 3.3Å; N123-L126 WeakPolarHBondContact ND2-CD2 3.4Å; N123-L126 WeakPolarHBondContact ND2-CG 3.49Å | ||
| 127 | G | 95.8 | Very high | 93.5 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -70 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G94 R95 L96 K111 | G94-G127 PolarHBondContact O-N 3.4Å; R95-G127 WeakPolarHBondContact CA-O 3.28Å; L96-G127 PolarHBondContact N-O 3.24Å; K111-G127 PolarHBondContact NZ-O 2.67Å |
| 128 | G | 96.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | trans | 93.6 | 165.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L96 E97 K111 | L96-G128 CarbonylContact O-C 3.52Å; L96-G128 WeakPolarHBondContact O-CA 3.47Å; E97-G128 WeakPolarHBondContact OE1-CA 3.28Å; E97-G128 WeakPolarHBondContact OE2-CA 3.36Å; K111-G128 WeakPolarHBondContact CD-O 3.35Å; K111-G128 WeakPolarHBondContact CE-O 3.36Å; K111-G128 PolarHBondContact NZ-O 3.33Å | ||
| 129 | I | 95.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 51.7 Ų | 51.7 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | trans | -151.7 | -176.2 | -179.3 | -159.3 | 53.3 | 0 | 0 | 0 | 110.6 | E97 V98 K111 | E97-I129 PolarHBondContact OE2-N 2.73Å; V98-I129 PolarHBondContact N-O 3.13Å; V98-I129 VanDerWaalsContact N-O 3.07Å; K111-I129 HydrophobicContact CD-CD1 4.33Å | ||
| 130 | D | 96.7 | Very high | 93.8 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.5 | 171.8 | -66.2 | 34.7 | 0 | 0 | 0 | 110.4 | V98 H103 S109 V110 K111 | V98-D130 CarbonylContact O-C 3.48Å; V98-D130 VanDerWaalsContact O-CA 3.24Å; V98-D130 WeakPolarHBondContact O-CA 3.42Å; H103-D130 IonicContact CE1-OD2 3.88Å; H103-D130 IonicContact ND1-OD2 2.65Å; S109-D130 WeakPolarHBondContact CB-OD1 3.38Å; S109-D130 PolarHBondContact OG-OD1 3.34Å; V110-D130 WeakPolarHBondContact CB-OD2 3.15Å; V110-D130 PolarHBondContact N-OD1 3.2Å; V110-D130 PolarHBondContact N-OD2 3.17Å; K111-D130 WeakPolarHBondContact CB-OD1 3.38Å; K111-D130 PolarHBondContact N-OD1 3.35Å |
| 131 | S | 96.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.8 | 172.8 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | V98 G99 T100 G137 N144 | V98-S131 PolarHBondContact O-N 3.13Å; G99-S131 WeakPolarHBondContact CA-O 3.42Å; T100-S131 PolarHBondContact N-O 2.82Å; S131-G137 WeakPolarHBondContact CB-O 3.41Å; S131-G137 WeakPolarHBondContact O-CA 3.31Å; S131-N144 PolarHBondContact OG-ND2 2.85Å |
| 132 | I | 93.5 | Very high | 95.1 | Very high | 110 Ų | 110 | 40 Ų | 40 | 56% | 0.564 | 25% | 0.251 | S | S | * | . | trans | -123.3 | 121.3 | -175.5 | -169.8 | -174.1 | 0 | 0 | 0 | 111.1 | E101 H103 | E101-I132 HydrophobicContact CB-CG1 4.45Å; H103-I132 VanDerWaalsContact CD2-CD1 3.46Å; H103-I132 WeakPolarHBondContact CD2-CD1 3.48Å; H103-I132 WeakPolarHBondContact NE2-CD1 3.49Å | ||
| 133 | N | 92.8 | Very high | 95.6 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -167.8 | 78.3 | 158.8 | -171.2 | 97.2 | 0 | 0 | 0 | 108.2 | C135 F136 G137 S368 V371 | N133-C135 PolarHBondContact O-N 3.13Å; N133-F136 HydrophobicContact CB-CB 4.46Å; N133-F136 WeakPolarHBondContact O-CA 3.23Å; N133-F136 VanDerWaalsContact O-CB 3.27Å; N133-F136 WeakPolarHBondContact O-CB 3.37Å; N133-F136 PolarHBondContact O-N 3.31Å; N133-G137 PolarHBondContact O-N 2.91Å; N133-S368 PolarHBondContact ND2-O 2.67Å; N133-V371 WeakPolarHBondContact ND2-CB 3.29Å; N133-V371 WeakPolarHBondContact ND2-CG2 3.09Å; N133-V371 WeakPolarHBondContact OD1-CG2 3.46Å |
| 134 | A | 91.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | -145 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E101 F136 G137 S368 | E101-A134 VanDerWaalsContact CD-C 3.42Å; A134-F136 PolarHBondContact O-N 3.34Å; A134-F136 VanDerWaalsContact O-N 3.08Å; A134-G137 PolarHBondContact O-N 3.46Å; A134-G137 VanDerWaalsContact O-N 3.11Å; A134-S368 WeakPolarHBondContact CB-O 3.15Å |
| 135 | C | 92.7 | Very high | 95.9 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.7 | 178.5 | -48.4 | 0 | 0 | 0 | 0 | 113.7 | E101 N133 G137 H265 | E101-C135 PolarHBondContact OE1-N 2.79Å; E101-C135 VanDerWaalsContact OE1-N 3.07Å; E101-C135 PolarHBondContact OE1-SG 3.03Å; N133-C135 PolarHBondContact O-N 3.13Å; C135-G137 VanDerWaalsContact C-N 3.26Å; C135-G137 PolarHBondContact O-N 3.21Å; C135-H265 VanDerWaalsContact CB-NE2 3.35Å; C135-H265 WeakPolarHBondContact CB-NE2 3.26Å |
| 136 | F | 96.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.8 | -23.9 | 177.5 | -168.5 | -96.8 | 0 | 0 | 0 | 112.9 | N133 A134 A138 T139 Q140 Y202 V371 C373 | N133-F136 HydrophobicContact CB-CB 4.46Å; N133-F136 WeakPolarHBondContact O-CA 3.23Å; N133-F136 VanDerWaalsContact O-CB 3.27Å; N133-F136 WeakPolarHBondContact O-CB 3.37Å; N133-F136 PolarHBondContact O-N 3.31Å; A134-F136 PolarHBondContact O-N 3.34Å; A134-F136 VanDerWaalsContact O-N 3.08Å; F136-A138 PolarHBondContact O-N 3.14Å; F136-A138 VanDerWaalsContact O-N 3.15Å; F136-T139 HydrophobicContact CE2-CG2 4.02Å; F136-T139 HydrophobicContact CZ-CG2 4.28Å; F136-T139 WeakPolarHBondContact O-CB 3.32Å; F136-T139 PolarHBondContact O-N 2.77Å; F136-Q140 HydrophobicContact CD1-CB 4.43Å; F136-Q140 HydrophobicContact CE1-CB 4.2Å; F136-Q140 PolarHBondContact O-N 3.3Å; F136-Y202 HydrophobicContact CZ-CD1 4.28Å; F136-Y202 AromaticContact CZ-CE1 3.89Å; F136-Y202 HydrophobicContact CZ-CE1 3.89Å; F136-V371 HydrophobicContact CB-CB 4.49Å; F136-V371 HydrophobicContact CB-CG1 4.44Å; F136-V371 HydrophobicContact CD1-CB 4.25Å; F136-V371 HydrophobicContact CD1-CG1 3.37Å; F136-V371 HydrophobicContact CD2-CG1 4.1Å; F136-V371 HydrophobicContact CE1-CG1 3.52Å; F136-V371 HydrophobicContact CE2-CG1 4.23Å; F136-V371 HydrophobicContact CG-CB 4.23Å; F136-V371 HydrophobicContact CG-CG1 3.69Å; F136-V371 HydrophobicContact CZ-CG1 3.96Å; F136-C373 HydrophobicContact CE2-CB 3.5Å; F136-C373 HydrophobicContact CZ-CB 3.75Å |
| 137 | G | 95.5 | Very high | 96 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S131 N133 A134 C135 Q140 A141 | S131-G137 WeakPolarHBondContact CB-O 3.41Å; S131-G137 WeakPolarHBondContact O-CA 3.31Å; N133-G137 PolarHBondContact O-N 2.91Å; A134-G137 PolarHBondContact O-N 3.46Å; A134-G137 VanDerWaalsContact O-N 3.11Å; C135-G137 VanDerWaalsContact C-N 3.26Å; C135-G137 PolarHBondContact O-N 3.21Å; G137-Q140 PolarHBondContact O-N 2.97Å; G137-A141 WeakPolarHBondContact O-CB 3.27Å; G137-A141 PolarHBondContact O-N 2.79Å |
| 138 | A | 96.1 | Very high | 96 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 19% | 0.19 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F136 A141 L142 A163 | F136-A138 PolarHBondContact O-N 3.14Å; F136-A138 VanDerWaalsContact O-N 3.15Å; A138-A141 PolarHBondContact O-N 2.75Å; A138-L142 WeakPolarHBondContact O-CB 3.47Å; A138-L142 PolarHBondContact O-N 3.43Å; A138-A163 HydrophobicContact CB-CB 3.52Å |
| 139 | T | 96.7 | Very high | 96 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71 | -38.9 | 179 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | F136 L142 F143 S365 F375 | F136-T139 HydrophobicContact CE2-CG2 4.02Å; F136-T139 HydrophobicContact CZ-CG2 4.28Å; F136-T139 WeakPolarHBondContact O-CB 3.32Å; F136-T139 PolarHBondContact O-N 2.77Å; T139-L142 WeakPolarHBondContact O-CB 3.47Å; T139-L142 PolarHBondContact O-N 3.48Å; T139-F143 HydrophobicContact CG2-CD2 4.13Å; T139-F143 HydrophobicContact CG2-CE1 4.3Å; T139-F143 HydrophobicContact CG2-CE2 3.5Å; T139-F143 HydrophobicContact CG2-CZ 3.6Å; T139-F143 WeakPolarHBondContact O-CD2 3.27Å; T139-F143 WeakPolarHBondContact O-CG 3.49Å; T139-F143 PolarHBondContact O-N 3.44Å; T139-S365 WeakPolarHBondContact CB-OG 3.5Å; T139-S365 VanDerWaalsContact OG1-CB 3.28Å; T139-S365 WeakPolarHBondContact OG1-CB 3.28Å; T139-S365 PolarHBondContact OG1-OG 3.12Å; T139-F375 HydrophobicContact CG2-CE1 3.84Å; T139-F375 HydrophobicContact CG2-CZ 4.26Å |
| 140 | Q | 97.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 26.3 Ų | 26.3 | 29% | 0.285 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.8 | -170.7 | 57.9 | 54.2 | 0 | 0 | 112 | F136 G137 L142 F143 N144 | F136-Q140 HydrophobicContact CD1-CB 4.43Å; F136-Q140 HydrophobicContact CE1-CB 4.2Å; F136-Q140 PolarHBondContact O-N 3.3Å; G137-Q140 PolarHBondContact O-N 2.97Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.49Å; Q140-F143 PolarHBondContact O-N 3.48Å; Q140-N144 PolarHBondContact NE2-OD1 3.1Å; Q140-N144 PolarHBondContact O-N 3.3Å; Q140-N144 PolarHBondContact O-ND2 3.27Å; Q140-N144 PolarHBondContact O-OD1 3.46Å |
| 141 | A | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E97 G137 A138 N144 A145 V161 | E97-A141 HydrophobicContact CB-CB 3.94Å; G137-A141 WeakPolarHBondContact O-CB 3.27Å; G137-A141 PolarHBondContact O-N 2.79Å; A138-A141 PolarHBondContact O-N 2.75Å; A141-N144 PolarHBondContact O-N 3.49Å; A141-A145 PolarHBondContact O-N 3.33Å; A141-A145 VanDerWaalsContact O-N 3.16Å; A141-V161 HydrophobicContact CB-CG1 4Å |
| 142 | L | 97.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.4 | 175.5 | 61.1 | 0 | 0 | 0 | 112.3 | A138 T139 Q140 A145 I146 V161 M185 I187 F195 | A138-L142 WeakPolarHBondContact O-CB 3.47Å; A138-L142 PolarHBondContact O-N 3.43Å; T139-L142 WeakPolarHBondContact O-CB 3.47Å; T139-L142 PolarHBondContact O-N 3.48Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.49Å; L142-A145 PolarHBondContact O-N 2.85Å; L142-I146 HydrophobicContact CD1-CD1 3.9Å; L142-I146 HydrophobicContact CD1-CG1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.92Å; L142-I146 WeakPolarHBondContact O-CG1 3.37Å; L142-I146 PolarHBondContact O-N 3.03Å; L142-V161 HydrophobicContact CB-CG1 4.26Å; L142-V161 HydrophobicContact CD1-CG2 4.39Å; L142-M185 HydrophobicContact CD1-SD 4.3Å; L142-M185 HydrophobicContact CD2-SD 4.49Å; L142-I187 HydrophobicContact CD1-CD1 3.59Å; L142-I187 HydrophobicContact CD1-CG1 4.28Å; L142-F195 HydrophobicContact CD1-CZ 4.23Å; L142-F195 HydrophobicContact CD2-CE1 3.81Å; L142-F195 HydrophobicContact CD2-CZ 3.7Å; L142-F195 HydrophobicContact CG-CE1 4.4Å; L142-F195 HydrophobicContact CG-CZ 4.24Å |
| 143 | F | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.5 | -66.1 | -26.6 | 0 | 0 | 0 | 112.5 | T139 Q140 A145 I146 D147 R200 Y202 C373 F375 | T139-F143 HydrophobicContact CG2-CD2 4.13Å; T139-F143 HydrophobicContact CG2-CE1 4.3Å; T139-F143 HydrophobicContact CG2-CE2 3.5Å; T139-F143 HydrophobicContact CG2-CZ 3.6Å; T139-F143 WeakPolarHBondContact O-CD2 3.27Å; T139-F143 WeakPolarHBondContact O-CG 3.49Å; T139-F143 PolarHBondContact O-N 3.44Å; Q140-F143 PolarHBondContact O-N 3.48Å; F143-A145 PolarHBondContact O-N 3.15Å; F143-I146 HydrophobicContact CD1-CD1 4.47Å; F143-I146 PolarHBondContact O-N 2.65Å; F143-D147 VanDerWaalsContact O-CB 3.29Å; F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 PolarHBondContact O-N 3.27Å; F143-R200 VanDerWaalsContact CG-NH1 3.33Å; F143-Y202 WeakPolarHBondContact CD2-OH 3.43Å; F143-Y202 HydrophobicContact CE2-CE1 4.4Å; F143-Y202 VanDerWaalsContact CE2-OH 3.27Å; F143-Y202 WeakPolarHBondContact CE2-OH 3.34Å; F143-C373 HydrophobicContact CE2-CB 4.44Å; F143-F375 HydrophobicContact CE1-CD1 4.34Å; F143-F375 HydrophobicContact CE1-CD2 4.24Å; F143-F375 HydrophobicContact CE1-CE2 4.45Å; F143-F375 HydrophobicContact CE1-CG 4.18Å; F143-F375 HydrophobicContact CZ-CB 4.36Å; F143-F375 AromaticContact CZ-CD1 3.65Å; F143-F375 HydrophobicContact CZ-CD1 3.65Å; F143-F375 HydrophobicContact CZ-CD2 4.34Å; F143-F375 AromaticContact CZ-CE1 3.93Å; F143-F375 HydrophobicContact CZ-CE1 3.93Å; F143-F375 AromaticContact CZ-CG 3.86Å; F143-F375 HydrophobicContact CZ-CG 3.86Å; F143-F375 HydrophobicContact CZ-CZ 4.4Å |
| 144 | N | 97.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 33 Ų | 33 | 23% | 0.225 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -37.6 | 177.1 | -64.5 | -13.7 | 0 | 0 | 0 | 112.1 | E97 S131 Q140 A141 W148 | E97-N144 HydrophobicContact CG-CB 4.13Å; E97-N144 WeakPolarHBondContact OE1-CB 3.48Å; S131-N144 PolarHBondContact OG-ND2 2.85Å; Q140-N144 PolarHBondContact NE2-OD1 3.1Å; Q140-N144 PolarHBondContact O-N 3.3Å; Q140-N144 PolarHBondContact O-ND2 3.27Å; Q140-N144 PolarHBondContact O-OD1 3.46Å; A141-N144 PolarHBondContact O-N 3.49Å; N144-W148 WeakPolarHBondContact O-CB 3.23Å; N144-W148 PolarHBondContact O-N 2.82Å; N144-W148 VanDerWaalsContact O-N 3.08Å |
| 145 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.3 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E97 A141 L142 F143 W148 V149 A159 V161 I187 | E97-A145 HydrophobicContact CG-CB 4.28Å; A141-A145 PolarHBondContact O-N 3.33Å; A141-A145 VanDerWaalsContact O-N 3.16Å; L142-A145 PolarHBondContact O-N 2.85Å; F143-A145 PolarHBondContact O-N 3.15Å; A145-W148 PolarHBondContact O-N 3.09Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 3.34Å; A145-V149 VanDerWaalsContact O-N 3.13Å; A145-A159 HydrophobicContact CB-CB 3.78Å; A145-V161 HydrophobicContact CB-CG2 3.3Å; A145-I187 HydrophobicContact CB-CB 4.42Å; A145-I187 HydrophobicContact CB-CG1 4.05Å |
| 146 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -50.7 | 176.3 | -68.9 | 162.2 | 0 | 0 | 0 | 110.2 | V23 L142 F143 W148 V149 E150 I187 F195 | V23-I146 HydrophobicContact CG1-CB 4.47Å; V23-I146 HydrophobicContact CG1-CG2 4.03Å; L142-I146 HydrophobicContact CD1-CD1 3.9Å; L142-I146 HydrophobicContact CD1-CG1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.92Å; L142-I146 WeakPolarHBondContact O-CG1 3.37Å; L142-I146 PolarHBondContact O-N 3.03Å; F143-I146 HydrophobicContact CD1-CD1 4.47Å; F143-I146 PolarHBondContact O-N 2.65Å; I146-W148 VanDerWaalsContact C-N 3.25Å; I146-W148 PolarHBondContact O-N 2.99Å; I146-V149 PolarHBondContact O-N 3.34Å; I146-V149 VanDerWaalsContact O-N 3.12Å; I146-E150 HydrophobicContact CG2-CG 4.38Å; I146-E150 PolarHBondContact O-N 2.8Å; I146-I187 HydrophobicContact CG1-CG2 3.96Å; I146-F195 HydrophobicContact CD1-CB 4.07Å; I146-F195 HydrophobicContact CD1-CD1 3.73Å; I146-F195 HydrophobicContact CD1-CD2 3.48Å; I146-F195 VanDerWaalsContact CD1-CD2 3.48Å; I146-F195 HydrophobicContact CD1-CE1 3.98Å; I146-F195 HydrophobicContact CD1-CE2 3.79Å; I146-F195 HydrophobicContact CD1-CG 3.47Å; I146-F195 VanDerWaalsContact CD1-CG 3.47Å; I146-F195 HydrophobicContact CD1-CZ 4.04Å; I146-F195 HydrophobicContact CG1-CD2 4.35Å |
| 147 | D | 95.9 | Very high | 95.4 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -34.7 | -177.4 | -62.5 | -16.7 | 0 | 0 | 0 | 110.7 | F143 S151 R200 | F143-D147 VanDerWaalsContact O-CB 3.29Å; F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 PolarHBondContact O-N 3.27Å; D147-S151 VanDerWaalsContact O-CB 3.27Å; D147-S151 WeakPolarHBondContact O-CB 3.35Å; D147-S151 PolarHBondContact O-N 3.03Å; D147-R200 IonicContact OD1-CZ 3.47Å; D147-R200 IonicContact OD1-NH1 2.71Å; D147-R200 IonicContact OD1-NH2 2.71Å; D147-R200 PolarHBondContact OD1-NH2 3.39Å; D147-R200 IonicContact OD2-NH1 3.5Å |
| 148 | W | 96.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 173.2 | 175.4 | 73 | 0 | 0 | 0 | 112.6 | R95 N144 A145 I146 E150 S151 H153 W154 D155 A159 | R95-W148 HydrophobicContact CB-CD2 3.95Å; R95-W148 HydrophobicContact CB-CE3 3.73Å; R95-W148 HydrophobicContact CB-CH2 4.24Å; R95-W148 HydrophobicContact CB-CZ2 4.45Å; R95-W148 HydrophobicContact CB-CZ3 3.88Å; R95-W148 VanDerWaalsContact CD-CB 3.45Å; R95-W148 HydrophobicContact CG-CD2 4.39Å; R95-W148 HydrophobicContact CG-CE3 4.46Å; R95-W148 VanDerWaalsContact NH1-CD1 3.34Å; N144-W148 WeakPolarHBondContact O-CB 3.23Å; N144-W148 PolarHBondContact O-N 2.82Å; N144-W148 VanDerWaalsContact O-N 3.08Å; A145-W148 PolarHBondContact O-N 3.09Å; I146-W148 VanDerWaalsContact C-N 3.25Å; I146-W148 PolarHBondContact O-N 2.99Å; W148-E150 VanDerWaalsContact C-N 3.29Å; W148-E150 PolarHBondContact O-N 3.46Å; W148-S151 WeakPolarHBondContact O-CB 3.34Å; W148-S151 PolarHBondContact O-N 3.22Å; W148-S151 VanDerWaalsContact O-N 3.12Å; W148-S151 PolarHBondContact O-OG 3.02Å; W148-H153 PolarHBondContact NE1-O 3.34Å; W148-W154 AromaticContact CH2-CD1 3.65Å; W148-W154 AromaticContact CZ3-CD1 3.57Å; W148-D155 WeakPolarHBondContact CH2-OD1 3.42Å; W148-A159 HydrophobicContact CE3-CB 3.87Å; W148-A159 HydrophobicContact CZ3-CB 3.98Å |
| 149 | V | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | A20 V23 A145 I146 S151 W154 A159 I187 | A20-V149 HydrophobicContact CB-CG1 3.73Å; A20-V149 WeakPolarHBondContact CB-O 3.46Å; V23-V149 HydrophobicContact CB-CG1 4.35Å; V23-V149 HydrophobicContact CG1-CB 3.76Å; V23-V149 HydrophobicContact CG1-CG1 3.64Å; V23-V149 HydrophobicContact CG2-CB 4.49Å; V23-V149 HydrophobicContact CG2-CG1 3.73Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 3.34Å; A145-V149 VanDerWaalsContact O-N 3.13Å; I146-V149 PolarHBondContact O-N 3.34Å; I146-V149 VanDerWaalsContact O-N 3.12Å; V149-S151 VanDerWaalsContact C-N 3.3Å; V149-S151 PolarHBondContact O-N 2.87Å; V149-W154 HydrophobicContact CG1-CD2 4.13Å; V149-W154 HydrophobicContact CG1-CG 4.34Å; V149-W154 HydrophobicContact CG1-CZ2 4.32Å; V149-W154 WeakPolarHBondContact O-CB 3.49Å; V149-A159 HydrophobicContact CG2-CB 4.12Å; V149-I187 HydrophobicContact CG2-CG2 4.26Å |
| 150 | E | 94.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.7 | -14.8 | 176 | -69.8 | -172.4 | 151.9 | 0 | 0 | 113.8 | V23 I146 W148 H197 | V23-E150 HydrophobicContact CB-CG 3.83Å; V23-E150 HydrophobicContact CG1-CG 4.12Å; V23-E150 HydrophobicContact CG2-CG 3.64Å; I146-E150 HydrophobicContact CG2-CG 4.38Å; I146-E150 PolarHBondContact O-N 2.8Å; W148-E150 VanDerWaalsContact C-N 3.29Å; W148-E150 PolarHBondContact O-N 3.46Å; E150-H197 IonicContact OE1-CE1 3.07Å; E150-H197 IonicContact OE1-CG 3.12Å; E150-H197 IonicContact OE1-ND1 3.37Å; E150-H197 PolarHBondContact OE1-ND1 3.04Å; E150-H197 WeakPolarHBondContact OE2-CB 3.47Å; E150-H197 IonicContact OE2-CG 2.7Å; E150-H197 IonicContact OE2-ND1 3.67Å |
| 151 | S | 93.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -83.6 | 164.8 | -175.8 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | D147 W148 V149 H153 W154 | D147-S151 VanDerWaalsContact O-CB 3.27Å; D147-S151 WeakPolarHBondContact O-CB 3.35Å; D147-S151 PolarHBondContact O-N 3.03Å; W148-S151 WeakPolarHBondContact O-CB 3.34Å; W148-S151 PolarHBondContact O-N 3.22Å; W148-S151 VanDerWaalsContact O-N 3.12Å; W148-S151 PolarHBondContact O-OG 3.02Å; V149-S151 VanDerWaalsContact C-N 3.3Å; V149-S151 PolarHBondContact O-N 2.87Å; S151-H153 PolarHBondContact O-N 3.45Å; S151-H153 VanDerWaalsContact O-N 3.12Å; S151-H153 PolarHBondContact OG-N 3.34Å; S151-H153 VanDerWaalsContact OG-N 3.16Å; S151-W154 PolarHBondContact O-N 3.4Å |
| 152 | G | 89.5 | Confident | 95.8 | Very high | 87 Ų | 87 | 36.2 Ų | 36.2 | 90% | 0.897 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -3.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 153 | H | 90.9 | Very high | 95.8 | Very high | 157 Ų | 157 | 36.4 Ų | 36.4 | 73% | 0.727 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.4 | 175.7 | -59.1 | 97.7 | 0 | 0 | 0 | 113.2 | W148 S151 D155 | W148-H153 PolarHBondContact NE1-O 3.34Å; S151-H153 PolarHBondContact O-N 3.45Å; S151-H153 VanDerWaalsContact O-N 3.12Å; S151-H153 PolarHBondContact OG-N 3.34Å; S151-H153 VanDerWaalsContact OG-N 3.16Å; H153-D155 PolarHBondContact O-N 2.87Å |
| 154 | W | 94.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 36.6 Ų | 36.6 | 22% | 0.216 | 22% | 0.215 | C | C | . | . | trans | -67.1 | 127.3 | 177.1 | -176.4 | 47.5 | 0 | 0 | 0 | 110.5 | A20 W148 V149 S151 R157 S189 | A20-W154 HydrophobicContact CB-CD2 4.26Å; A20-W154 HydrophobicContact CB-CE3 3.61Å; A20-W154 HydrophobicContact CB-CH2 4.1Å; A20-W154 HydrophobicContact CB-CZ3 3.51Å; W148-W154 AromaticContact CH2-CD1 3.65Å; W148-W154 AromaticContact CZ3-CD1 3.57Å; V149-W154 HydrophobicContact CG1-CD2 4.13Å; V149-W154 HydrophobicContact CG1-CG 4.34Å; V149-W154 HydrophobicContact CG1-CZ2 4.32Å; V149-W154 WeakPolarHBondContact O-CB 3.49Å; S151-W154 PolarHBondContact O-N 3.4Å; W154-R157 PolarHBondContact NE1-O 3.43Å; W154-S189 WeakPolarHBondContact CH2-OG 3.23Å | ||
| 155 | D | 92.6 | Very high | 95.6 | Very high | 79 Ų | 79 | 36.2 Ų | 36.2 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | trans | -103.1 | 10.8 | -175.6 | 64.3 | 2.7 | 0 | 0 | 0 | 113.1 | W148 H153 R157 | W148-D155 WeakPolarHBondContact CH2-OD1 3.42Å; H153-D155 PolarHBondContact O-N 2.87Å; D155-R157 VanDerWaalsContact C-N 3.34Å; D155-R157 VanDerWaalsContact OD1-CB 3.28Å; D155-R157 WeakPolarHBondContact OD1-CB 3.48Å; D155-R157 PolarHBondContact OD1-N 2.85Å; D155-R157 IonicContact OD1-NE 2.67Å; D155-R157 IonicContact OD2-CZ 2.85Å; D155-R157 IonicContact OD2-NE 3.77Å; D155-R157 PolarHBondContact OD2-NE 2.89Å; D155-R157 IonicContact OD2-NH2 2.65Å; D155-R157 PolarHBondContact OD2-NH2 3.32Å | ||
| 156 | G | 93 | Very high | 95.3 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 54% | 0.536 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 87.8 | -8.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 157 | R | 96.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 160.8 | 175.6 | -66.8 | -173.9 | -70.1 | 175.8 | -8.8 | 111.9 | E92 I93 G94 D125 W154 D155 | E92-R157 VanDerWaalsContact O-CB 3.28Å; E92-R157 WeakPolarHBondContact O-CB 3.45Å; I93-R157 PolarHBondContact O-NH1 2.98Å; G94-R157 VanDerWaalsContact CA-NE 3.34Å; D125-R157 PolarHBondContact O-NH1 3.28Å; D125-R157 PolarHBondContact O-NH2 3.45Å; D125-R157 VanDerWaalsContact O-NH2 3.16Å; D125-R157 IonicContact OD2-CZ 2.93Å; D125-R157 IonicContact OD2-NH1 2.63Å; D125-R157 IonicContact OD2-NH2 2.76Å; D125-R157 PolarHBondContact OD2-NH2 2.88Å; W154-R157 PolarHBondContact NE1-O 3.43Å; D155-R157 VanDerWaalsContact C-N 3.34Å; D155-R157 VanDerWaalsContact OD1-CB 3.28Å; D155-R157 WeakPolarHBondContact OD1-CB 3.48Å; D155-R157 PolarHBondContact OD1-N 2.85Å; D155-R157 IonicContact OD1-NE 2.67Å; D155-R157 IonicContact OD2-CZ 2.85Å; D155-R157 IonicContact OD2-NE 3.77Å; D155-R157 PolarHBondContact OD2-NE 2.89Å; D155-R157 IonicContact OD2-NH2 2.65Å; D155-R157 PolarHBondContact OD2-NH2 3.32Å |
| 158 | Y | 98.2 | Very high | 94.8 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 26% | 0.263 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 152.2 | 173.9 | -59 | -66.2 | 0 | 0 | 0 | 111.3 | I26 V88 E92 I93 G94 L186 I187 | I26-Y158 HydrophobicContact CD1-CD1 4Å; I26-Y158 HydrophobicContact CD1-CE1 3.69Å; V88-Y158 HydrophobicContact CG1-CD2 4.2Å; E92-Y158 HydrophobicContact CB-CD2 4.23Å; E92-Y158 PolarHBondContact O-N 2.92Å; I93-Y158 WeakPolarHBondContact CA-O 3.34Å; G94-Y158 PolarHBondContact N-O 3.49Å; Y158-L186 HydrophobicContact CD1-CD2 4.35Å; Y158-L186 HydrophobicContact CD1-CG 4.27Å; Y158-L186 HydrophobicContact CD2-CD1 4.28Å; Y158-L186 HydrophobicContact CD2-CD2 4.35Å; Y158-L186 HydrophobicContact CG-CD1 3.91Å; Y158-L186 HydrophobicContact CG-CD2 4.23Å; Y158-L186 HydrophobicContact CG-CG 4.08Å; Y158-I187 WeakPolarHBondContact CA-O 3.24Å |
| 159 | A | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 145.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R95 A145 W148 V149 I187 | R95-A159 HydrophobicContact CB-CB 3.92Å; R95-A159 CarbonylContact O-C 3.6Å; R95-A159 WeakPolarHBondContact O-CA 3.35Å; A145-A159 HydrophobicContact CB-CB 3.78Å; W148-A159 HydrophobicContact CE3-CB 3.87Å; W148-A159 HydrophobicContact CZ3-CB 3.98Å; V149-A159 HydrophobicContact CG2-CB 4.12Å; A159-I187 HydrophobicContact CB-CB 4.12Å; A159-I187 PolarHBondContact N-O 3.37Å; A159-I187 PolarHBondContact O-N 3.48Å |
| 160 | L | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.6 | 176.8 | -173.8 | 63 | 0 | 0 | 0 | 109 | T79 L82 I93 R95 L96 E97 F118 I162 L186 | T79-L160 HydrophobicContact CG2-CD2 3.87Å; L82-L160 HydrophobicContact CD1-CD1 4.22Å; L82-L160 HydrophobicContact CD2-CD1 3.85Å; I93-L160 HydrophobicContact CD1-CB 4.47Å; I93-L160 HydrophobicContact CG2-CB 3.93Å; R95-L160 PolarHBondContact O-N 3.3Å; L96-L160 CarbonylContact C-O 3.18Å; L96-L160 WeakPolarHBondContact CA-O 3.45Å; L96-L160 HydrophobicContact CD1-CB 4.02Å; L96-L160 HydrophobicContact CD1-CD2 4.03Å; L96-L160 HydrophobicContact CD1-CG 4.03Å; E97-L160 PolarHBondContact N-O 3.4Å; F118-L160 HydrophobicContact CZ-CD2 3.99Å; L160-I162 HydrophobicContact CD1-CD1 4.27Å; L160-I162 HydrophobicContact CD2-CD1 4.11Å; L160-I162 HydrophobicContact CG-CD1 3.9Å; L160-L186 HydrophobicContact CD1-CD1 4.32Å |
| 161 | V | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.4 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | E97 A141 L142 A145 A184 M185 I187 | E97-V161 HydrophobicContact CB-CG2 4.49Å; E97-V161 CarbonylContact O-C 3.58Å; E97-V161 WeakPolarHBondContact O-CA 3.07Å; A141-V161 HydrophobicContact CB-CG1 4Å; L142-V161 HydrophobicContact CB-CG1 4.26Å; L142-V161 HydrophobicContact CD1-CG2 4.39Å; A145-V161 HydrophobicContact CB-CG2 3.3Å; V161-A184 CarbonylContact O-C 3.55Å; V161-A184 WeakPolarHBondContact O-CA 3.31Å; V161-M185 HydrophobicContact CB-CB 4.32Å; V161-M185 HydrophobicContact CB-CE 4.2Å; V161-M185 HydrophobicContact CG1-CE 3.77Å; V161-M185 PolarHBondContact N-O 3.08Å; V161-M185 PolarHBondContact O-N 2.98Å; V161-I187 HydrophobicContact CG2-CD1 4.49Å; V161-I187 HydrophobicContact CG2-CG1 3.77Å |
| 162 | I | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.9 | 175.8 | -50.9 | -58 | 0 | 0 | 0 | 108.8 | A75 V78 T79 L96 E97 V98 G99 L114 L160 A164 V183 A184 | A75-I162 HydrophobicContact CB-CG2 3.88Å; V78-I162 HydrophobicContact CG1-CG2 4.2Å; T79-I162 WeakPolarHBondContact OG1-CD1 3.15Å; L96-I162 HydrophobicContact CD1-CG1 3.88Å; E97-I162 PolarHBondContact O-N 3.14Å; V98-I162 CarbonylContact C-O 3.52Å; V98-I162 VanDerWaalsContact CA-O 3.28Å; V98-I162 WeakPolarHBondContact CA-O 3.28Å; V98-I162 HydrophobicContact CG1-CB 4.46Å; V98-I162 HydrophobicContact CG2-CB 4.26Å; G99-I162 PolarHBondContact N-O 3.39Å; L114-I162 HydrophobicContact CD1-CB 4.34Å; L114-I162 HydrophobicContact CD1-CG1 3.81Å; L160-I162 HydrophobicContact CD1-CD1 4.27Å; L160-I162 HydrophobicContact CD2-CD1 4.11Å; L160-I162 HydrophobicContact CG-CD1 3.9Å; I162-A164 HydrophobicContact CG2-CB 4.46Å; I162-V183 WeakPolarHBondContact CA-O 3.36Å; I162-A184 HydrophobicContact CD1-CB 3.49Å; I162-A184 VanDerWaalsContact CD1-CB 3.49Å |
| 163 | A | 97.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108 | G99 A138 A182 V183 | G99-A163 WeakPolarHBondContact O-CA 3.49Å; A138-A163 HydrophobicContact CB-CB 3.52Å; A163-A182 CarbonylContact O-C 3.57Å; A163-A182 VanDerWaalsContact O-CA 3.23Å; A163-A182 WeakPolarHBondContact O-CA 3.32Å; A163-V183 HydrophobicContact CB-CB 4.48Å; A163-V183 PolarHBondContact N-O 2.99Å; A163-V183 PolarHBondContact O-N 3.07Å |
| 164 | A | 95.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V71 I74 A75 G99 T100 I162 G181 A182 | V71-A164 HydrophobicContact CG2-CB 3.89Å; I74-A164 HydrophobicContact CD1-CB 4.32Å; I74-A164 HydrophobicContact CG1-CB 4.32Å; A75-A164 HydrophobicContact CB-CB 4.31Å; G99-A164 PolarHBondContact O-N 2.86Å; G99-A164 VanDerWaalsContact O-N 3.17Å; T100-A164 WeakPolarHBondContact CB-O 3.3Å; T100-A164 PolarHBondContact OG1-O 3.19Å; I162-A164 HydrophobicContact CG2-CB 4.46Å; A164-G181 WeakPolarHBondContact CA-O 3.34Å; A164-A182 HydrophobicContact CB-CB 3.8Å |
| 165 | D | 94.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 149 | 179.1 | -171.9 | 33.1 | 0 | 0 | 0 | 112.4 | S102 A180 G181 | S102-D165 WeakPolarHBondContact CB-OD1 3.1Å; S102-D165 PolarHBondContact OG-OD1 2.72Å; D165-A180 VanDerWaalsContact O-CA 3.24Å; D165-A180 WeakPolarHBondContact O-CA 3.33Å; D165-G181 PolarHBondContact N-O 2.87Å; D165-G181 PolarHBondContact O-N 3.37Å |
| 166 | I | 92.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 89.8 | 169.8 | -59.2 | 179.8 | 0 | 0 | 0 | 106.5 | C65 D70 I74 S102 V168 G179 A180 | C65-I166 HydrophobicContact CB-CD1 4.5Å; D70-I166 VanDerWaalsContact C-CD1 3.48Å; I74-I166 HydrophobicContact CD1-CD1 4.25Å; I74-I166 HydrophobicContact CD1-CG1 3.9Å; S102-I166 PolarHBondContact OG-N 3.42Å; S102-I166 PolarHBondContact OG-O 2.73Å; I166-V168 HydrophobicContact CG2-CG1 3.96Å; I166-V168 PolarHBondContact O-N 2.85Å; I166-G179 CarbonylContact C-O 3.59Å; I166-A180 HydrophobicContact CB-CB 4.31Å; I166-A180 HydrophobicContact CG1-CB 3.98Å; I166-A180 HydrophobicContact CG2-CB 4.28Å |
| 167 | A | 92.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 100.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y169 G178 G179 | A167-Y169 HydrophobicContact CB-CE2 4.09Å; A167-G178 CarbonylContact O-C 3.2Å; A167-G178 WeakPolarHBondContact O-CA 3.43Å; A167-G179 PolarHBondContact N-O 3.07Å; A167-G179 PolarHBondContact O-N 3.01Å |
| 168 | V | 90.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | trans | -113.8 | 139.6 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | I166 E218 Y219 P220 L418 | I166-V168 HydrophobicContact CG2-CG1 3.96Å; I166-V168 PolarHBondContact O-N 2.85Å; V168-E218 HydrophobicContact CG2-CB 3.91Å; V168-E218 VanDerWaalsContact CG2-CD 3.45Å; V168-E218 HydrophobicContact CG2-CG 3.49Å; V168-E218 VanDerWaalsContact CG2-CG 3.49Å; V168-Y219 HydrophobicContact CB-CD1 4.29Å; V168-Y219 HydrophobicContact CB-CE1 4.27Å; V168-Y219 HydrophobicContact CG2-CD1 4.16Å; V168-Y219 HydrophobicContact CG2-CE1 4.4Å; V168-P220 WeakPolarHBondContact O-CD 3.27Å; V168-L418 HydrophobicContact CB-CD2 4.19Å; V168-L418 HydrophobicContact CG1-CD2 3.7Å | ||
| 169 | Y | 91.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 26.2 Ų | 26.2 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | trans | -129.1 | 146.6 | -176.6 | -63.6 | -86.7 | 0 | 0 | 0 | 111.8 | A167 A174 R175 F210 P220 I222 | A167-Y169 HydrophobicContact CB-CE2 4.09Å; Y169-A174 HydrophobicContact CD1-CB 3.85Å; Y169-A174 WeakPolarHBondContact CD2-O 3.28Å; Y169-A174 HydrophobicContact CE1-CB 4.3Å; Y169-A174 HydrophobicContact CG-CB 4.14Å; Y169-R175 PolarHBondContact O-NH2 3.39Å; Y169-R175 VanDerWaalsContact O-NH2 3.09Å; Y169-F210 AromaticContact CE1-CE2 3.84Å; Y169-F210 HydrophobicContact CE1-CE2 3.84Å; Y169-P220 HydrophobicContact CD1-CG 3.77Å; Y169-P220 HydrophobicContact CE1-CG 3.72Å; Y169-I222 HydrophobicContact CE1-CD1 4.01Å | ||
| 170 | G | 88.4 | Confident | 92.4 | Very high | 24 Ų | 24 | 26.6 Ų | 26.6 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | trans | -60.2 | 175.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | G172 R175 | G170-G172 PolarHBondContact O-N 3.26Å; G170-R175 PolarHBondContact O-NE 3.16Å; G170-R175 VanDerWaalsContact O-NE 3.1Å; G170-R175 PolarHBondContact O-NH2 3.16Å | ||
| 171 | K | 87 | Confident | 92.1 | Very high | 161 Ų | 161 | 27.5 Ų | 27.5 | 70% | 0.7 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -63.3 | 128.9 | 175.2 | -71.2 | -180 | -178 | 178.2 | 0 | 108.5 | ||
| 172 | G | 87 | Confident | 91.9 | Very high | 36 Ų | 36 | 27.6 Ų | 27.6 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 148.8 | -176.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G170 A174 R175 | G170-G172 PolarHBondContact O-N 3.26Å; G172-A174 VanDerWaalsContact C-N 3.27Å; G172-A174 PolarHBondContact O-N 3.49Å; G172-R175 VanDerWaalsContact O-CB 3.26Å; G172-R175 WeakPolarHBondContact O-CB 3.36Å; G172-R175 PolarHBondContact O-N 2.86Å; G172-R175 VanDerWaalsContact O-N 3.09Å |
| 173 | P | 86.2 | Confident | 91.8 | Very high | 112 Ų | 112 | 28.7 Ų | 28.7 | 73% | 0.727 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -63.8 | -27.6 | -171.7 | 24.6 | -34.1 | 0 | 0 | 0 | 114.1 | R175 C176 | P173-R175 VanDerWaalsContact C-N 3.27Å; P173-R175 PolarHBondContact O-N 3.3Å; P173-C176 PolarHBondContact O-SG 3.18Å |
| 174 | A | 89.9 | Confident | 91.9 | Very high | 21 Ų | 21 | 27.9 Ų | 27.9 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -76.5 | -10 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y169 G172 C176 T177 I222 | Y169-A174 HydrophobicContact CD1-CB 3.85Å; Y169-A174 WeakPolarHBondContact CD2-O 3.28Å; Y169-A174 HydrophobicContact CE1-CB 4.3Å; Y169-A174 HydrophobicContact CG-CB 4.14Å; G172-A174 VanDerWaalsContact C-N 3.27Å; G172-A174 PolarHBondContact O-N 3.49Å; A174-C176 VanDerWaalsContact C-N 3.27Å; A174-C176 PolarHBondContact O-N 3.22Å; A174-T177 PolarHBondContact O-N 3.11Å; A174-T177 PolarHBondContact O-OG1 3.37Å; A174-I222 HydrophobicContact CB-CD1 4.32Å; A174-I222 HydrophobicContact CB-CG2 4.28Å |
| 175 | R | 91.6 | Very high | 92 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -58.8 | -38.4 | -177.2 | 179.9 | 163.6 | -71.6 | -143.6 | -15.5 | 113.3 | M62 Y169 G170 G172 P173 T177 G178 F414 H415 | M62-R175 VanDerWaalsContact SD-O 3.41Å; Y169-R175 PolarHBondContact O-NH2 3.39Å; Y169-R175 VanDerWaalsContact O-NH2 3.09Å; G170-R175 PolarHBondContact O-NE 3.16Å; G170-R175 VanDerWaalsContact O-NE 3.1Å; G170-R175 PolarHBondContact O-NH2 3.16Å; G172-R175 VanDerWaalsContact O-CB 3.26Å; G172-R175 WeakPolarHBondContact O-CB 3.36Å; G172-R175 PolarHBondContact O-N 2.86Å; G172-R175 VanDerWaalsContact O-N 3.09Å; P173-R175 VanDerWaalsContact C-N 3.27Å; P173-R175 PolarHBondContact O-N 3.3Å; R175-T177 PolarHBondContact O-N 3.08Å; R175-G178 PolarHBondContact O-N 3.42Å; R175-F414 HydrophobicContact CG-CE1 4.06Å; R175-F414 HydrophobicContact CG-CZ 4.37Å; R175-H415 PolarHBondContact NH1-CE1 3.41Å; R175-H415 PolarHBondContact NH1-ND1 3.08Å; R175-H415 PolarHBondContact NH1-NE2 3.4Å |
| 176 | C | 90.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -72.2 | -8.1 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 114 | Q39 L42 Y53 L57 P173 A174 | Q39-C176 PolarHBondContact NE2-O 3.4Å; L42-C176 HydrophobicContact CD2-CB 4.47Å; Y53-C176 HydrophobicContact CD1-CB 3.84Å; Y53-C176 HydrophobicContact CD2-CB 3.72Å; Y53-C176 HydrophobicContact CE1-CB 3.88Å; Y53-C176 VanDerWaalsContact CE1-SG 3.58Å; Y53-C176 HydrophobicContact CE2-CB 3.76Å; Y53-C176 HydrophobicContact CG-CB 3.78Å; L57-C176 WeakPolarHBondContact CD1-SG 3.49Å; P173-C176 PolarHBondContact O-SG 3.18Å; A174-C176 VanDerWaalsContact C-N 3.27Å; A174-C176 PolarHBondContact O-N 3.22Å |
| 177 | T | 91.2 | Very high | 92.5 | Very high | 32 Ų | 32 | 27 Ų | 27 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -104.8 | 14.1 | 177.3 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | L57 A174 R175 Y268 | L57-T177 HydrophobicContact CD1-CG2 4.06Å; A174-T177 PolarHBondContact O-N 3.11Å; A174-T177 PolarHBondContact O-OG1 3.37Å; R175-T177 PolarHBondContact O-N 3.08Å; T177-Y268 HydrophobicContact CG2-CD1 4.16Å |
| 178 | G | 91.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 26 Ų | 26 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | trans | -71.1 | -179 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M62 A167 R175 | M62-G178 VanDerWaalsContact CG-O 3.32Å; M62-G178 WeakPolarHBondContact CG-O 3.44Å; M62-G178 VanDerWaalsContact SD-C 3.5Å; M62-G178 VanDerWaalsContact SD-O 3.4Å; A167-G178 CarbonylContact O-C 3.2Å; A167-G178 WeakPolarHBondContact O-CA 3.43Å; R175-G178 PolarHBondContact O-N 3.42Å | ||
| 179 | G | 92.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.5 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I166 A167 | I166-G179 CarbonylContact C-O 3.59Å; A167-G179 PolarHBondContact N-O 3.07Å; A167-G179 PolarHBondContact O-N 3.01Å |
| 180 | A | 93.2 | Very high | 93 | Very high | 7 Ų | 7 | 28 Ų | 28 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 142.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P33 C65 D165 I166 | P33-A180 WeakPolarHBondContact CD-O 3.31Å; P33-A180 HydrophobicContact CG-CB 3.7Å; C65-A180 WeakPolarHBondContact SG-CB 3.46Å; D165-A180 VanDerWaalsContact O-CA 3.24Å; D165-A180 WeakPolarHBondContact O-CA 3.33Å; I166-A180 HydrophobicContact CB-CB 4.31Å; I166-A180 HydrophobicContact CG1-CB 3.98Å; I166-A180 HydrophobicContact CG2-CB 4.28Å |
| 181 | G | 93.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 161.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y31 A164 D165 | Y31-G181 WeakPolarHBondContact O-CA 3.49Å; A164-G181 WeakPolarHBondContact CA-O 3.34Å; D165-G181 PolarHBondContact N-O 2.87Å; D165-G181 PolarHBondContact O-N 3.37Å |
| 182 | A | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I30 Y31 I74 V78 A163 A164 | I30-A182 CarbonylContact C-O 3.51Å; I30-A182 WeakPolarHBondContact CA-O 3.5Å; Y31-A182 PolarHBondContact N-O 3.27Å; Y31-A182 PolarHBondContact O-N 3.49Å; I74-A182 HydrophobicContact CB-CB 4.25Å; I74-A182 HydrophobicContact CD1-CB 4.19Å; I74-A182 HydrophobicContact CG1-CB 4.02Å; V78-A182 HydrophobicContact CB-CB 4.16Å; V78-A182 HydrophobicContact CG1-CB 3.68Å; A163-A182 CarbonylContact O-C 3.57Å; A163-A182 VanDerWaalsContact O-CA 3.23Å; A163-A182 WeakPolarHBondContact O-CA 3.32Å; A164-A182 HydrophobicContact CB-CB 3.8Å |
| 183 | V | 96 | Very high | 93.9 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 14% | 0.139 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.7 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 108 | M28 D29 I30 I162 A163 M185 | M28-V183 HydrophobicContact CG-CG1 3.86Å; M28-V183 HydrophobicContact SD-CG1 3.93Å; D29-V183 WeakPolarHBondContact O-CA 3.49Å; I30-V183 HydrophobicContact CG2-CB 4.33Å; I30-V183 HydrophobicContact CG2-CG1 4.03Å; I30-V183 HydrophobicContact CG2-CG2 3.86Å; I162-V183 WeakPolarHBondContact CA-O 3.36Å; A163-V183 HydrophobicContact CB-CB 4.48Å; A163-V183 PolarHBondContact N-O 2.99Å; A163-V183 PolarHBondContact O-N 3.07Å; V183-M185 HydrophobicContact CG1-CG 4.01Å |
| 184 | A | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | M28 D29 V78 L82 V161 I162 | M28-A184 VanDerWaalsContact CA-O 3.3Å; M28-A184 WeakPolarHBondContact CA-O 3.47Å; D29-A184 PolarHBondContact N-O 3.16Å; D29-A184 PolarHBondContact O-N 3.42Å; V78-A184 HydrophobicContact CB-CB 4.45Å; V78-A184 HydrophobicContact CG1-CB 4.1Å; V78-A184 HydrophobicContact CG2-CB 3.83Å; L82-A184 HydrophobicContact CB-CB 3.91Å; L82-A184 HydrophobicContact CD1-CB 3.59Å; L82-A184 WeakPolarHBondContact CD1-O 3.45Å; L82-A184 HydrophobicContact CG-CB 4.34Å; V161-A184 CarbonylContact O-C 3.55Å; V161-A184 WeakPolarHBondContact O-CA 3.31Å; I162-A184 HydrophobicContact CD1-CB 3.49Å; I162-A184 VanDerWaalsContact CD1-CB 3.49Å |
| 185 | M | 98.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 13.3 Ų | 13.3 | 10% | 0.099 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.5 | 177.7 | -64.3 | 170.2 | -79.4 | 0 | 0 | 109.9 | I25 G27 M28 L142 V161 V183 I187 | I25-M185 HydrophobicContact CD1-CG 4.44Å; I25-M185 HydrophobicContact CD1-SD 3.93Å; I25-M185 HydrophobicContact CG1-CB 4.42Å; I25-M185 HydrophobicContact CG1-SD 4.46Å; G27-M185 CarbonylContact O-C 3.51Å; G27-M185 WeakPolarHBondContact O-CA 3.47Å; M28-M185 HydrophobicContact CG-CG 4.12Å; M28-M185 HydrophobicContact SD-CG 4.13Å; L142-M185 HydrophobicContact CD1-SD 4.3Å; L142-M185 HydrophobicContact CD2-SD 4.49Å; V161-M185 HydrophobicContact CB-CB 4.32Å; V161-M185 HydrophobicContact CB-CE 4.2Å; V161-M185 HydrophobicContact CG1-CE 3.77Å; V161-M185 PolarHBondContact N-O 3.08Å; V161-M185 PolarHBondContact O-N 2.98Å; V183-M185 HydrophobicContact CG1-CG 4.01Å; M185-I187 HydrophobicContact CB-CD1 4.13Å |
| 186 | L | 98.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.2 | 173.3 | -167.7 | 71.2 | 0 | 0 | 0 | 109.4 | I25 I26 G27 L82 V88 I93 Y158 L160 | I25-L186 WeakPolarHBondContact CA-O 3.49Å; I26-L186 HydrophobicContact CG2-CD2 4.38Å; I26-L186 PolarHBondContact N-O 3.28Å; G27-L186 PolarHBondContact N-O 3.18Å; G27-L186 PolarHBondContact O-N 2.95Å; L82-L186 HydrophobicContact CD1-CB 4.35Å; L82-L186 HydrophobicContact CD2-CB 4.22Å; L82-L186 HydrophobicContact CD2-CD1 4.33Å; V88-L186 HydrophobicContact CG2-CD2 3.93Å; I93-L186 HydrophobicContact CD1-CD1 3.64Å; Y158-L186 HydrophobicContact CD1-CD2 4.35Å; Y158-L186 HydrophobicContact CD1-CG 4.27Å; Y158-L186 HydrophobicContact CD2-CD1 4.28Å; Y158-L186 HydrophobicContact CD2-CD2 4.35Å; Y158-L186 HydrophobicContact CG-CD1 3.91Å; Y158-L186 HydrophobicContact CG-CD2 4.23Å; Y158-L186 HydrophobicContact CG-CG 4.08Å; L160-L186 HydrophobicContact CD1-CD1 4.32Å |
| 187 | I | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.5 | -175.9 | -48.8 | -57.1 | 0 | 0 | 0 | 109.8 | V23 G24 I25 L142 A145 I146 V149 Y158 A159 V161 M185 | V23-I187 HydrophobicContact CG1-CG2 4.22Å; G24-I187 VanDerWaalsContact O-CA 3.3Å; G24-I187 WeakPolarHBondContact O-CA 3.44Å; I25-I187 HydrophobicContact CB-CD1 4.41Å; I25-I187 HydrophobicContact CG1-CD1 3.63Å; L142-I187 HydrophobicContact CD1-CD1 3.59Å; L142-I187 HydrophobicContact CD1-CG1 4.28Å; A145-I187 HydrophobicContact CB-CB 4.42Å; A145-I187 HydrophobicContact CB-CG1 4.05Å; I146-I187 HydrophobicContact CG1-CG2 3.96Å; V149-I187 HydrophobicContact CG2-CG2 4.26Å; Y158-I187 WeakPolarHBondContact CA-O 3.24Å; A159-I187 HydrophobicContact CB-CB 4.12Å; A159-I187 PolarHBondContact N-O 3.37Å; A159-I187 PolarHBondContact O-N 3.48Å; V161-I187 HydrophobicContact CG2-CD1 4.49Å; V161-I187 HydrophobicContact CG2-CG1 3.77Å; M185-I187 HydrophobicContact CB-CD1 4.13Å |
| 188 | G | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | -169.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V23 G24 I26 | V23-G188 WeakPolarHBondContact CA-O 3.36Å; G24-G188 PolarHBondContact N-O 3.27Å; G24-G188 PolarHBondContact O-N 2.79Å; G24-G188 VanDerWaalsContact O-N 3.12Å; I26-G188 VanDerWaalsContact CD1-CA 3.4Å |
| 189 | S | 94.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 24.1 Ų | 24.1 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -79 | 159.4 | 177.6 | 65.3 | 0 | 0 | 0 | 0 | 113 | E21 I26 W154 A191 R388 | E21-S189 WeakPolarHBondContact O-CA 3.33Å; I26-S189 WeakPolarHBondContact CD1-O 3.3Å; W154-S189 WeakPolarHBondContact CH2-OG 3.23Å; S189-A191 PolarHBondContact O-N 3.11Å; S189-R388 PolarHBondContact O-NH1 3.17Å |
| 190 | D | 93.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 33% | 0.326 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 51.3 | 43.2 | -177.5 | -68.7 | -50.6 | 0 | 0 | 0 | 113.4 | E21 N22 R380 R388 | E21-D190 PolarHBondContact O-N 3.14Å; N22-D190 PolarHBondContact ND2-OD1 3.2Å; N22-D190 VanDerWaalsContact ND2-OD1 3.17Å; N22-D190 PolarHBondContact O-N 3.09Å; D190-R380 IonicContact OD1-NH1 2.9Å; D190-R380 PolarHBondContact OD1-NH1 2.78Å; D190-R380 VanDerWaalsContact OD1-NH1 3.15Å; D190-R388 PolarHBondContact O-NH1 2.73Å |
| 191 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -73.7 | 146.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | N22 G24 I26 S189 L193 V194 R380 | N22-A191 WeakPolarHBondContact O-CB 3.47Å; N22-A191 PolarHBondContact O-N 2.88Å; G24-A191 WeakPolarHBondContact O-CB 3.4Å; I26-A191 HydrophobicContact CG1-CB 3.84Å; S189-A191 PolarHBondContact O-N 3.11Å; A191-L193 VanDerWaalsContact C-N 3.29Å; A191-V194 WeakPolarHBondContact O-CG2 3.39Å; A191-R380 VanDerWaalsContact O-CD 3.3Å; A191-R380 WeakPolarHBondContact O-CD 3.33Å | ||
| 192 | P | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -67.6 | -28.4 | 170.4 | 28.4 | -36.6 | 0 | 0 | 0 | 113.5 | I25 I379 R380 S385 R388 L389 I392 | I25-P192 WeakPolarHBondContact O-CD 3.45Å; I25-P192 WeakPolarHBondContact O-CG 3.44Å; P192-I379 WeakPolarHBondContact O-CA 3.36Å; P192-R380 PolarHBondContact O-N 2.92Å; P192-S385 WeakPolarHBondContact CB-O 3.3Å; P192-R388 HydrophobicContact CB-CB 4.24Å; P192-R388 HydrophobicContact CG-CB 3.81Å; P192-L389 HydrophobicContact CB-CB 4.1Å; P192-I392 HydrophobicContact CG-CD1 3.76Å |
| 193 | L | 93.8 | Very high | 93.7 | Very high | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 98.5 | 179.1 | -57.7 | 177.1 | 0 | 0 | 0 | 108.6 | G24 I25 A191 M377 I379 L389 I392 | G24-L193 CarbonylContact C-O 3.53Å; G24-L193 VanDerWaalsContact CA-O 3.23Å; G24-L193 WeakPolarHBondContact CA-O 3.45Å; I25-L193 HydrophobicContact CB-CB 4.18Å; I25-L193 HydrophobicContact CB-CD1 4.2Å; I25-L193 HydrophobicContact CG2-CD1 4.35Å; I25-L193 PolarHBondContact N-O 2.86Å; A191-L193 VanDerWaalsContact C-N 3.29Å; L193-M377 HydrophobicContact CB-SD 4.36Å; L193-I379 HydrophobicContact CD2-CB 4.4Å; L193-I379 HydrophobicContact CD2-CD1 4.28Å; L193-I379 HydrophobicContact CD2-CG1 3.78Å; L193-I379 HydrophobicContact CD2-CG2 4.24Å; L193-L389 HydrophobicContact CD2-CD1 4.23Å; L193-I392 HydrophobicContact CD1-CD1 4.41Å |
| 194 | V | 95.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136 | -171.2 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | N22 A191 M377 E378 R380 | N22-V194 HydrophobicContact CB-CG2 3.84Å; A191-V194 WeakPolarHBondContact O-CG2 3.39Å; V194-M377 CarbonylContact O-C 3.16Å; V194-M377 WeakPolarHBondContact O-CA 3.47Å; V194-M377 VanDerWaalsContact O-CB 3.24Å; V194-M377 WeakPolarHBondContact O-CB 3.47Å; V194-E378 PolarHBondContact N-O 3.1Å; V194-E378 PolarHBondContact O-N 3.23Å; V194-R380 HydrophobicContact CG2-CG 3.83Å |
| 195 | F | 93.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135.7 | 179 | -70.8 | -106.7 | 0 | 0 | 0 | 111.5 | V23 I25 L142 I146 H197 F375 M377 | V23-F195 PolarHBondContact O-N 3.39Å; I25-F195 HydrophobicContact CD1-CE2 4Å; I25-F195 HydrophobicContact CD1-CZ 3.95Å; I25-F195 HydrophobicContact CG1-CE2 3.99Å; I25-F195 HydrophobicContact CG1-CZ 4.37Å; L142-F195 HydrophobicContact CD1-CZ 4.23Å; L142-F195 HydrophobicContact CD2-CE1 3.81Å; L142-F195 HydrophobicContact CD2-CZ 3.7Å; L142-F195 HydrophobicContact CG-CE1 4.4Å; L142-F195 HydrophobicContact CG-CZ 4.24Å; I146-F195 HydrophobicContact CD1-CB 4.07Å; I146-F195 HydrophobicContact CD1-CD1 3.73Å; I146-F195 HydrophobicContact CD1-CD2 3.48Å; I146-F195 VanDerWaalsContact CD1-CD2 3.48Å; I146-F195 HydrophobicContact CD1-CE1 3.98Å; I146-F195 HydrophobicContact CD1-CE2 3.79Å; I146-F195 HydrophobicContact CD1-CG 3.47Å; I146-F195 VanDerWaalsContact CD1-CG 3.47Å; I146-F195 HydrophobicContact CD1-CZ 4.04Å; I146-F195 HydrophobicContact CG1-CD2 4.35Å; F195-H197 PolarHBondContact O-N 2.59Å; F195-H197 VanDerWaalsContact O-N 3.1Å; F195-F375 HydrophobicContact CD1-CD2 4.05Å; F195-F375 HydrophobicContact CD1-CE2 4.17Å; F195-F375 HydrophobicContact CE1-CD2 4.05Å; F195-F375 AromaticContact CE1-CE2 3.68Å; F195-F375 HydrophobicContact CE1-CE2 3.68Å; F195-M377 HydrophobicContact CE1-CE 3.77Å; F195-M377 HydrophobicContact CE2-CE 4.27Å; F195-M377 HydrophobicContact CZ-CE 3.54Å |
| 196 | H | 86.2 | Confident | 93.4 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 87.8 | 172.7 | -68.3 | -75.8 | 0 | 0 | 0 | 110.6 | R198 V199 Y250 S376 E378 | H196-R198 PolarHBondContact O-N 2.83Å; H196-R198 VanDerWaalsContact O-N 3.12Å; H196-V199 PolarHBondContact O-N 3.06Å; H196-Y250 PolarHBondContact ND1-OH 3.25Å; H196-Y250 VanDerWaalsContact ND1-OH 3.1Å; H196-S376 PolarHBondContact CD2-OG 2.88Å; H196-S376 PolarHBondContact N-O 3.06Å; H196-S376 VanDerWaalsContact N-O 3.07Å; H196-E378 IonicContact CE1-OE2 3.59Å; H196-E378 IonicContact NE2-OE2 3.83Å |
| 197 | H | 74.6 | Confident | 93.2 | Very high | 76 Ų | 76 | 44 Ų | 44 | 35% | 0.352 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -23.7 | -173 | 57.7 | -102.6 | 0 | 0 | 0 | 114.9 | E150 F195 | E150-H197 IonicContact OE1-CE1 3.07Å; E150-H197 IonicContact OE1-CG 3.12Å; E150-H197 IonicContact OE1-ND1 3.37Å; E150-H197 PolarHBondContact OE1-ND1 3.04Å; E150-H197 WeakPolarHBondContact OE2-CB 3.47Å; E150-H197 IonicContact OE2-CG 2.7Å; E150-H197 IonicContact OE2-ND1 3.67Å; F195-H197 PolarHBondContact O-N 2.59Å; F195-H197 VanDerWaalsContact O-N 3.1Å |
| 198 | R | 84.5 | Confident | 92.9 | Very high | 183 Ų | 183 | 51.1 Ų | 51.1 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -18.7 | -177.2 | -59.2 | -170.5 | -163.7 | -168.4 | 7.9 | 114.3 | H196 V249 | H196-R198 PolarHBondContact O-N 2.83Å; H196-R198 VanDerWaalsContact O-N 3.12Å; R198-V249 HydrophobicContact CB-CG1 3.87Å; R198-V249 HydrophobicContact CB-CG2 4.4Å |
| 199 | V | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 92.7 | -173.8 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | H196 F242 K245 Y246 V249 Y250 | H196-V199 PolarHBondContact O-N 3.06Å; V199-F242 HydrophobicContact CB-CE2 4.36Å; V199-F242 HydrophobicContact CG1-CD2 3.88Å; V199-F242 HydrophobicContact CG1-CE1 4.41Å; V199-F242 HydrophobicContact CG1-CE2 3.58Å; V199-F242 HydrophobicContact CG1-CG 4.44Å; V199-F242 HydrophobicContact CG1-CZ 3.87Å; V199-K245 HydrophobicContact CG1-CB 4.03Å; V199-Y246 HydrophobicContact CG1-CD2 4.27Å; V199-V249 HydrophobicContact CG2-CB 3.81Å; V199-V249 HydrophobicContact CG2-CG1 4Å; V199-V249 HydrophobicContact CG2-CG2 3.94Å; V199-Y250 HydrophobicContact CB-CE2 4.43Å; V199-Y250 HydrophobicContact CG2-CD2 4.11Å; V199-Y250 HydrophobicContact CG2-CE2 3.49Å; V199-Y250 VanDerWaalsContact CG2-CE2 3.49Å |
| 200 | R | 94.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.2 | 167.9 | -53.8 | -177.4 | -145.7 | 168.8 | 5.9 | 109 | F143 D147 Y202 K245 M374 F375 | F143-R200 VanDerWaalsContact CG-NH1 3.33Å; D147-R200 IonicContact OD1-CZ 3.47Å; D147-R200 IonicContact OD1-NH1 2.71Å; D147-R200 IonicContact OD1-NH2 2.71Å; D147-R200 PolarHBondContact OD1-NH2 3.39Å; D147-R200 IonicContact OD2-NH1 3.5Å; R200-Y202 HydrophobicContact CB-CE2 3.88Å; R200-K245 VanDerWaalsContact O-CD 3.25Å; R200-K245 WeakPolarHBondContact O-CD 3.19Å; R200-K245 PolarHBondContact O-NZ 3.44Å; R200-M374 WeakPolarHBondContact CA-O 3.38Å; R200-F375 HydrophobicContact CG-CB 4.09Å |
| 201 | S | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.8 | 174.3 | 57 | 0 | 0 | 0 | 0 | 109.8 | C238 F242 C373 M374 | S201-C238 WeakPolarHBondContact CB-O 3.43Å; S201-C238 PolarHBondContact OG-O 3.32Å; S201-F242 WeakPolarHBondContact OG-CB 3.38Å; S201-C373 CarbonylContact O-C 3.49Å; S201-C373 VanDerWaalsContact O-CA 3.22Å; S201-C373 WeakPolarHBondContact O-CA 3.38Å; S201-C373 PolarHBondContact O-SG 2.78Å; S201-M374 PolarHBondContact N-O 2.8Å; S201-M374 PolarHBondContact O-N 3.47Å; S201-M374 WeakPolarHBondContact OG-CB 3.38Å; S201-M374 PolarHBondContact OG-O 3.18Å |
| 202 | Y | 97.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 148.5 | 178.4 | -66.8 | -100.1 | 0 | 0 | 0 | 109.6 | F136 F143 R200 A372 C373 | F136-Y202 HydrophobicContact CZ-CD1 4.28Å; F136-Y202 AromaticContact CZ-CE1 3.89Å; F136-Y202 HydrophobicContact CZ-CE1 3.89Å; F143-Y202 WeakPolarHBondContact CD2-OH 3.43Å; F143-Y202 HydrophobicContact CE2-CE1 4.4Å; F143-Y202 VanDerWaalsContact CE2-OH 3.27Å; F143-Y202 WeakPolarHBondContact CE2-OH 3.34Å; R200-Y202 HydrophobicContact CB-CE2 3.88Å; Y202-A372 VanDerWaalsContact CA-O 3.3Å; Y202-A372 WeakPolarHBondContact CA-O 3.25Å; Y202-C373 HydrophobicContact CD1-CB 3.8Å; Y202-C373 HydrophobicContact CE1-CB 3.77Å; Y202-C373 HydrophobicContact CG-CB 4.41Å; Y202-C373 VanDerWaalsContact CZ-SG 3.6Å |
| 203 | H | 97.4 | Very high | 91.8 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 17% | 0.167 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.4 | 162.4 | -176.3 | 69.9 | 0 | 0 | 0 | 107.1 | A234 R237 C238 Y370 A372 | H203-A234 HydrophobicContact CB-CB 4.44Å; H203-R237 HydrophobicContact CB-CB 4.22Å; H203-C238 PolarHBondContact N-SG 3.23Å; H203-C238 VanDerWaalsContact N-SG 3.45Å; H203-Y370 AromaticContact CD2-CE2 3.79Å; H203-Y370 AromaticContact NE2-CE2 3.77Å; H203-Y370 AromaticContact NE2-CZ 3.91Å; H203-A372 PolarHBondContact N-O 2.77Å; H203-A372 PolarHBondContact O-N 3.01Å |
| 204 | V | 97 | Very high | 91.3 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 129.8 | -175.7 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | Y370 V371 | V204-Y370 WeakPolarHBondContact CA-O 3.29Å; V204-V371 HydrophobicContact CG1-CG2 4.02Å; V204-V371 HydrophobicContact CG2-CG1 4.03Å |
| 205 | D | 94.9 | Very high | 90.5 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | trans | -148.1 | 179 | 173.9 | -153.1 | -17.1 | 0 | 0 | 0 | 110.2 | Y370 | D205-Y370 HydrophobicContact CB-CD1 3.57Å; D205-Y370 HydrophobicContact CB-CE1 3.83Å; D205-Y370 HydrophobicContact CB-CG 4.1Å; D205-Y370 PolarHBondContact N-O 3Å; D205-Y370 WeakPolarHBondContact O-CB 3.45Å | ||
| 206 | H | 94.3 | Very high | 89.9 | Confident | 131 Ų | 131 | 73.1 Ų | 73.1 | 61% | 0.606 | 34% | 0.342 | S | S | * | . | trans | -106.4 | 113.5 | -179.1 | 174.3 | 66.3 | 0 | 0 | 0 | 111.7 | Y208 | H206-Y208 AromaticContact CE1-CE2 3.57Å; H206-Y208 AromaticContact CE1-CZ 3.87Å; H206-Y208 AromaticContact NE2-CD2 3.9Å; H206-Y208 AromaticContact NE2-CE2 3.32Å; H206-Y208 VanDerWaalsContact NE2-CE2 3.32Å; H206-Y208 WeakPolarHBondContact NE2-CE2 3.36Å | ||
| 207 | V | 94.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | trans | -142.8 | 146.4 | 177.6 | 159.2 | 0 | 0 | 0 | 0 | 111.4 | D209 L226 Y370 | V207-D209 HydrophobicContact CG1-CB 3.6Å; V207-L226 HydrophobicContact CG1-CD1 4.44Å; V207-L226 HydrophobicContact CG1-CD2 3.7Å; V207-L226 HydrophobicContact CG1-CG 3.9Å; V207-Y370 HydrophobicContact CB-CD1 3.65Å; V207-Y370 HydrophobicContact CB-CE1 4.42Å; V207-Y370 HydrophobicContact CB-CG 4.3Å; V207-Y370 HydrophobicContact CG2-CD1 3.27Å; V207-Y370 HydrophobicContact CG2-CE1 3.62Å; V207-Y370 HydrophobicContact CG2-CG 4.35Å | ||
| 208 | Y | 92.1 | Very high | 90.4 | Very high | 149 Ų | 149 | 72 Ų | 72 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | trans | -96.7 | 49.1 | 174.8 | -76.6 | -79.1 | 0 | 0 | 0 | 112.1 | H206 Y211 | H206-Y208 AromaticContact CE1-CE2 3.57Å; H206-Y208 AromaticContact CE1-CZ 3.87Å; H206-Y208 AromaticContact NE2-CD2 3.9Å; H206-Y208 AromaticContact NE2-CE2 3.32Å; H206-Y208 VanDerWaalsContact NE2-CE2 3.32Å; H206-Y208 WeakPolarHBondContact NE2-CE2 3.36Å; Y208-Y211 AromaticContact CD1-CD1 3.91Å; Y208-Y211 HydrophobicContact CD1-CD1 3.91Å; Y208-Y211 HydrophobicContact CD1-CD2 4.43Å; Y208-Y211 AromaticContact CD1-CE1 3.9Å; Y208-Y211 HydrophobicContact CD1-CE1 3.9Å; Y208-Y211 HydrophobicContact CD1-CE2 4.4Å; Y208-Y211 HydrophobicContact CD1-CG 4.21Å; Y208-Y211 HydrophobicContact CG-CE1 4.43Å | ||
| 209 | D | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -79.4 | -32.1 | 179.6 | 67.7 | -36.3 | 0 | 0 | 0 | 112.2 | V207 I222 D223 L226 S227 Y366 S368 G369 | V207-D209 HydrophobicContact CG1-CB 3.6Å; D209-I222 CarbonylContact O-C 3.59Å; D209-I222 WeakPolarHBondContact O-CA 3.3Å; D209-D223 PolarHBondContact O-N 2.8Å; D209-L226 HydrophobicContact CB-CB 4.46Å; D209-L226 HydrophobicContact CB-CD2 4.34Å; D209-L226 HydrophobicContact CB-CG 4.15Å; D209-S227 WeakPolarHBondContact CB-OG 3.23Å; D209-S227 PolarHBondContact O-OG 2.92Å; D209-S227 PolarHBondContact OD2-OG 2.8Å; D209-Y366 PolarHBondContact OD2-OH 2.85Å; D209-S368 WeakPolarHBondContact OD2-CB 3.48Å; D209-S368 PolarHBondContact OD2-OG 3.4Å; D209-G369 PolarHBondContact OD1-N 2.93Å |
| 210 | F | 91.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 124.6 | 180 | 179.5 | -85.6 | 0 | 0 | 0 | 110.8 | Y169 P220 T221 I222 | Y169-F210 AromaticContact CE1-CE2 3.84Å; Y169-F210 HydrophobicContact CE1-CE2 3.84Å; F210-P220 HydrophobicContact CD2-CB 4.06Å; F210-P220 HydrophobicContact CD2-CG 4.14Å; F210-P220 HydrophobicContact CE1-CB 4.27Å; F210-P220 HydrophobicContact CE2-CB 3.7Å; F210-P220 HydrophobicContact CE2-CG 3.47Å; F210-P220 VanDerWaalsContact CE2-CG 3.47Å; F210-P220 HydrophobicContact CZ-CB 3.81Å; F210-P220 HydrophobicContact CZ-CG 3.82Å; F210-T221 WeakPolarHBondContact CA-O 3.29Å; F210-I222 HydrophobicContact CD2-CB 4.47Å; F210-I222 HydrophobicContact CD2-CD1 4.15Å; F210-I222 HydrophobicContact CD2-CG1 4.32Å |
| 211 | Y | 91.4 | Very high | 90.6 | Very high | 90 Ų | 90 | 66.5 Ų | 66.5 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 159.9 | 176.7 | 59 | -73.7 | 0 | 0 | 0 | 111.3 | Y208 P213 P220 T221 | Y208-Y211 AromaticContact CD1-CD1 3.91Å; Y208-Y211 HydrophobicContact CD1-CD1 3.91Å; Y208-Y211 HydrophobicContact CD1-CD2 4.43Å; Y208-Y211 AromaticContact CD1-CE1 3.9Å; Y208-Y211 HydrophobicContact CD1-CE1 3.9Å; Y208-Y211 HydrophobicContact CD1-CE2 4.4Å; Y208-Y211 HydrophobicContact CD1-CG 4.21Å; Y208-Y211 HydrophobicContact CG-CE1 4.43Å; Y211-P213 HydrophobicContact CD2-CB 3.78Å; Y211-P213 HydrophobicContact CD2-CG 3.76Å; Y211-P213 HydrophobicContact CE2-CB 3.7Å; Y211-P213 HydrophobicContact CE2-CG 3.56Å; Y211-P213 WeakPolarHBondContact O-CD 3.49Å; Y211-P220 CarbonylContact O-C 3.54Å; Y211-P220 VanDerWaalsContact O-CA 3.31Å; Y211-P220 WeakPolarHBondContact O-CA 3.42Å; Y211-P220 WeakPolarHBondContact O-CB 3.22Å; Y211-T221 HydrophobicContact CE1-CG2 3.86Å; Y211-T221 PolarHBondContact N-O 2.83Å; Y211-T221 PolarHBondContact O-N 3.33Å |
| 212 | K | 89 | Confident | 90.3 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | trans | -111.2 | 80 | 179.1 | -66.1 | 177.4 | -177.8 | 173.6 | 0 | 110.3 | E101 P220 | E101-K212 PolarHBondContact O-NZ 3.29Å; K212-P220 HydrophobicContact CG-CB 3.95Å | ||
| 213 | P | 85.8 | Confident | 90.1 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | trans | -78.4 | -20.3 | -172.5 | 30.4 | -34.6 | 0 | 0 | 0 | 114.2 | Y211 T221 | Y211-P213 HydrophobicContact CD2-CB 3.78Å; Y211-P213 HydrophobicContact CD2-CG 3.76Å; Y211-P213 HydrophobicContact CE2-CB 3.7Å; Y211-P213 HydrophobicContact CE2-CG 3.56Å; Y211-P213 WeakPolarHBondContact O-CD 3.49Å; P213-T221 WeakPolarHBondContact CD-OG1 3.33Å; P213-T221 WeakPolarHBondContact CG-OG1 3.37Å | ||
| 214 | H | 84.1 | Confident | 89.7 | Confident | 122 Ų | 122 | 68.8 Ų | 68.8 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | trans | -104 | 123.3 | -170.8 | -59.5 | -52.6 | 0 | 0 | 0 | 111.7 | N216 C217 | H214-N216 VanDerWaalsContact C-N 3.28Å; H214-N216 PolarHBondContact O-N 2.71Å; H214-C217 HydrophobicContact CB-CB 4.15Å | ||
| 215 | N | 77.3 | Confident | 89.5 | Confident | 94 Ų | 94 | 69.3 Ų | 69.3 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.2 | -176.6 | -55 | -1 | 0 | 0 | 0 | 114 | R106 V425 | R106-N215 PolarHBondContact NH1-ND2 3.47Å; R106-N215 PolarHBondContact NH1-OD1 3.42Å; R106-N215 VanDerWaalsContact NH2-CA 3.35Å; R106-N215 VanDerWaalsContact NH2-CB 3.28Å; R106-N215 PolarHBondContact NH2-OD1 3.27Å; N215-V425 WeakPolarHBondContact O-CG1 3.41Å |
| 216 | N | 81 | Confident | 89.5 | Confident | 128 Ų | 128 | 67 Ų | 67 | 68% | 0.684 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 18.9 | -172.9 | -58.8 | -2.9 | 0 | 0 | 0 | 111.8 | H214 | H214-N216 VanDerWaalsContact C-N 3.28Å; H214-N216 PolarHBondContact O-N 2.71Å |
| 217 | C | 85.3 | Confident | 89.4 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | trans | -141.4 | 135.3 | -178.4 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | H214 Y219 N422 | H214-C217 HydrophobicContact CB-CB 4.15Å; C217-Y219 VanDerWaalsContact C-N 3.31Å; C217-Y219 WeakPolarHBondContact SG-CD2 3.17Å; C217-Y219 PolarHBondContact SG-N 2.74Å; C217-N422 WeakPolarHBondContact CA-OD1 3.41Å; C217-N422 PolarHBondContact SG-OD1 3.42Å; C217-N422 VanDerWaalsContact SG-OD1 3.36Å | ||
| 218 | E | 85.2 | Confident | 89.4 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -78 | -23.2 | 176.5 | -152.6 | 178.2 | -179.3 | 0 | 0 | 111.6 | V168 R421 N422 V425 | V168-E218 HydrophobicContact CG2-CB 3.91Å; V168-E218 VanDerWaalsContact CG2-CD 3.45Å; V168-E218 HydrophobicContact CG2-CG 3.49Å; V168-E218 VanDerWaalsContact CG2-CG 3.49Å; E218-R421 IonicContact OE1-CZ 2.63Å; E218-R421 IonicContact OE1-NE 3.95Å; E218-R421 PolarHBondContact OE1-NE 3.37Å; E218-R421 IonicContact OE1-NH2 3.48Å; E218-R421 PolarHBondContact OE1-NH2 2.88Å; E218-R421 IonicContact OE2-CZ 3.56Å; E218-R421 IonicContact OE2-NE 3.02Å; E218-R421 PolarHBondContact OE2-NE 2.76Å; E218-R421 IonicContact OE2-NH2 2.69Å; E218-N422 PolarHBondContact N-OD1 3.23Å; E218-V425 HydrophobicContact CB-CG2 3.96Å |
| 219 | Y | 91 | Very high | 89.5 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 13% | 0.129 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -78.4 | 136.8 | -172.7 | -49.3 | -45.1 | 0 | 0 | 0 | 112.4 | V168 C217 L418 N422 | V168-Y219 HydrophobicContact CB-CD1 4.29Å; V168-Y219 HydrophobicContact CB-CE1 4.27Å; V168-Y219 HydrophobicContact CG2-CD1 4.16Å; V168-Y219 HydrophobicContact CG2-CE1 4.4Å; C217-Y219 VanDerWaalsContact C-N 3.31Å; C217-Y219 WeakPolarHBondContact SG-CD2 3.17Å; C217-Y219 PolarHBondContact SG-N 2.74Å; Y219-L418 PolarHBondContact OH-O 3.23Å; Y219-N422 HydrophobicContact CE2-CB 4.21Å |
| 220 | P | 91.2 | Very high | 89.6 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 156.8 | 172.2 | 32.7 | -34.5 | 0 | 0 | 0 | 111.6 | V168 Y169 F210 Y211 K212 | V168-P220 WeakPolarHBondContact O-CD 3.27Å; Y169-P220 HydrophobicContact CD1-CG 3.77Å; Y169-P220 HydrophobicContact CE1-CG 3.72Å; F210-P220 HydrophobicContact CD2-CB 4.06Å; F210-P220 HydrophobicContact CD2-CG 4.14Å; F210-P220 HydrophobicContact CE1-CB 4.27Å; F210-P220 HydrophobicContact CE2-CB 3.7Å; F210-P220 HydrophobicContact CE2-CG 3.47Å; F210-P220 VanDerWaalsContact CE2-CG 3.47Å; F210-P220 HydrophobicContact CZ-CB 3.81Å; F210-P220 HydrophobicContact CZ-CG 3.82Å; Y211-P220 CarbonylContact O-C 3.54Å; Y211-P220 VanDerWaalsContact O-CA 3.31Å; Y211-P220 WeakPolarHBondContact O-CA 3.42Å; Y211-P220 WeakPolarHBondContact O-CB 3.22Å; K212-P220 HydrophobicContact CG-CB 3.95Å |
| 221 | T | 92.4 | Very high | 89.8 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.4 | 156.8 | -56.6 | 0 | 0 | 0 | 0 | 107.9 | F210 Y211 P213 | F210-T221 WeakPolarHBondContact CA-O 3.29Å; Y211-T221 HydrophobicContact CE1-CG2 3.86Å; Y211-T221 PolarHBondContact N-O 2.83Å; Y211-T221 PolarHBondContact O-N 3.33Å; P213-T221 WeakPolarHBondContact CD-OG1 3.33Å; P213-T221 WeakPolarHBondContact CG-OG1 3.37Å |
| 222 | I | 91 | Very high | 90 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.8 | -174.3 | -173.3 | 171.2 | 0 | 0 | 0 | 111.8 | Y169 A174 D209 F210 | Y169-I222 HydrophobicContact CE1-CD1 4.01Å; A174-I222 HydrophobicContact CB-CD1 4.32Å; A174-I222 HydrophobicContact CB-CG2 4.28Å; D209-I222 CarbonylContact O-C 3.59Å; D209-I222 WeakPolarHBondContact O-CA 3.3Å; F210-I222 HydrophobicContact CD2-CB 4.47Å; F210-I222 HydrophobicContact CD2-CD1 4.15Å; F210-I222 HydrophobicContact CD2-CG1 4.32Å |
| 223 | D | 92.9 | Very high | 90.2 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | trans | -106.3 | 93.9 | 161.7 | -172.7 | -26 | 0 | 0 | 0 | 108.1 | D209 P225 L226 S227 | D209-D223 PolarHBondContact O-N 2.8Å; D223-P225 VanDerWaalsContact OD1-CD 3.31Å; D223-P225 WeakPolarHBondContact OD1-CD 3.47Å; D223-L226 HydrophobicContact CB-CB 3.89Å; D223-L226 HydrophobicContact CB-CD2 4.42Å; D223-L226 PolarHBondContact O-N 3.34Å; D223-L226 WeakPolarHBondContact OD1-CB 3.46Å; D223-L226 PolarHBondContact OD1-N 3.13Å; D223-S227 WeakPolarHBondContact O-CB 3.28Å; D223-S227 PolarHBondContact O-N 3.2Å; D223-S227 PolarHBondContact O-OG 3.5Å | ||
| 224 | G | 90.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L226 S227 I228 | G224-L226 PolarHBondContact O-N 3.28Å; G224-S227 WeakPolarHBondContact O-CB 3.42Å; G224-S227 PolarHBondContact O-N 3.23Å; G224-I228 WeakPolarHBondContact O-CG1 3.48Å; G224-I228 PolarHBondContact O-N 3.05Å |
| 225 | P | 92.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 44.6 Ų | 44.6 | 66% | 0.662 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -55.1 | -47.4 | 174.3 | -28.6 | 36.1 | 0 | 0 | 0 | 113.5 | D223 S227 I228 Q229 | D223-P225 VanDerWaalsContact OD1-CD 3.31Å; D223-P225 WeakPolarHBondContact OD1-CD 3.47Å; P225-S227 VanDerWaalsContact C-N 3.32Å; P225-S227 PolarHBondContact O-N 3.21Å; P225-I228 PolarHBondContact O-N 2.67Å; P225-Q229 PolarHBondContact O-N 3.48Å |
| 226 | L | 94.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64 | -38 | 177.8 | -177.2 | 59.5 | 0 | 0 | 0 | 112.1 | V207 D209 D223 G224 I228 Q229 S230 | V207-L226 HydrophobicContact CG1-CD1 4.44Å; V207-L226 HydrophobicContact CG1-CD2 3.7Å; V207-L226 HydrophobicContact CG1-CG 3.9Å; D209-L226 HydrophobicContact CB-CB 4.46Å; D209-L226 HydrophobicContact CB-CD2 4.34Å; D209-L226 HydrophobicContact CB-CG 4.15Å; D223-L226 HydrophobicContact CB-CB 3.89Å; D223-L226 HydrophobicContact CB-CD2 4.42Å; D223-L226 PolarHBondContact O-N 3.34Å; D223-L226 WeakPolarHBondContact OD1-CB 3.46Å; D223-L226 PolarHBondContact OD1-N 3.13Å; G224-L226 PolarHBondContact O-N 3.28Å; L226-I228 PolarHBondContact O-N 3.29Å; L226-Q229 PolarHBondContact O-N 3.36Å; L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.48Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 3.22Å |
| 227 | S | 93.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | D209 D223 G224 P225 Y231 | D209-S227 WeakPolarHBondContact CB-OG 3.23Å; D209-S227 PolarHBondContact O-OG 2.92Å; D209-S227 PolarHBondContact OD2-OG 2.8Å; D223-S227 WeakPolarHBondContact O-CB 3.28Å; D223-S227 PolarHBondContact O-N 3.2Å; D223-S227 PolarHBondContact O-OG 3.5Å; G224-S227 WeakPolarHBondContact O-CB 3.42Å; G224-S227 PolarHBondContact O-N 3.23Å; P225-S227 VanDerWaalsContact C-N 3.32Å; P225-S227 PolarHBondContact O-N 3.21Å; S227-Y231 VanDerWaalsContact O-CB 3.28Å; S227-Y231 WeakPolarHBondContact O-CB 3.39Å; S227-Y231 PolarHBondContact O-N 3.21Å |
| 228 | I | 93.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68 | -43.4 | 180 | -67.4 | 163.3 | 0 | 0 | 0 | 110.8 | G224 P225 L226 Y231 F232 Y268 L271 | G224-I228 WeakPolarHBondContact O-CG1 3.48Å; G224-I228 PolarHBondContact O-N 3.05Å; P225-I228 PolarHBondContact O-N 2.67Å; L226-I228 PolarHBondContact O-N 3.29Å; I228-Y231 WeakPolarHBondContact O-CB 3.44Å; I228-Y231 PolarHBondContact O-N 3.46Å; I228-F232 HydrophobicContact CG2-CD2 3.86Å; I228-F232 HydrophobicContact CG2-CE2 3.54Å; I228-F232 HydrophobicContact CG2-CZ 4.38Å; I228-F232 WeakPolarHBondContact O-CD2 3.28Å; I228-F232 PolarHBondContact O-N 2.68Å; I228-F232 VanDerWaalsContact O-N 3.08Å; I228-Y268 VanDerWaalsContact CD1-OH 3.26Å; I228-Y268 WeakPolarHBondContact CD1-OH 3.42Å; I228-L271 HydrophobicContact CG2-CD1 4.11Å |
| 229 | Q | 93.6 | Very high | 94.1 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 43% | 0.425 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 175.8 | -174.4 | -177.8 | 14.9 | 0 | 0 | 110.8 | P225 L226 Y231 F232 V233 | P225-Q229 PolarHBondContact O-N 3.48Å; L226-Q229 PolarHBondContact O-N 3.36Å; Q229-Y231 VanDerWaalsContact C-N 3.33Å; Q229-Y231 PolarHBondContact O-N 2.95Å; Q229-F232 PolarHBondContact O-N 2.91Å; Q229-V233 WeakPolarHBondContact O-CG2 3.33Å; Q229-V233 PolarHBondContact O-N 3.3Å |
| 230 | S | 95 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L226 F232 V233 A234 Y366 Y370 | L226-S230 VanDerWaalsContact O-CB 3.28Å; L226-S230 WeakPolarHBondContact O-CB 3.48Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 3.22Å; S230-F232 PolarHBondContact O-N 3.14Å; S230-V233 PolarHBondContact O-N 3.25Å; S230-A234 VanDerWaalsContact O-CB 3.26Å; S230-A234 WeakPolarHBondContact O-CB 3.5Å; S230-A234 PolarHBondContact O-N 2.93Å; S230-Y366 WeakPolarHBondContact CB-OH 3.48Å; S230-Y370 VanDerWaalsContact O-CE2 3.23Å; S230-Y370 WeakPolarHBondContact O-CE2 3.27Å |
| 231 | Y | 95.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -47.3 | 175 | 178.2 | -77.1 | 0 | 0 | 0 | 112 | S227 I228 Q229 A234 L235 H265 L271 S275 F364 Y366 | S227-Y231 VanDerWaalsContact O-CB 3.28Å; S227-Y231 WeakPolarHBondContact O-CB 3.39Å; S227-Y231 PolarHBondContact O-N 3.21Å; I228-Y231 WeakPolarHBondContact O-CB 3.44Å; I228-Y231 PolarHBondContact O-N 3.46Å; Q229-Y231 VanDerWaalsContact C-N 3.33Å; Q229-Y231 PolarHBondContact O-N 2.95Å; Y231-A234 PolarHBondContact O-N 2.96Å; Y231-L235 HydrophobicContact CE1-CD2 4.49Å; Y231-L235 WeakPolarHBondContact O-CB 3.38Å; Y231-L235 PolarHBondContact O-N 3.33Å; Y231-H265 HydrophobicContact CE2-CB 4.22Å; Y231-H265 AromaticContact CE2-ND1 3.94Å; Y231-H265 PolarHBondContact OH-O 3.09Å; Y231-L271 HydrophobicContact CD1-CD1 4.24Å; Y231-L271 HydrophobicContact CD1-CD2 3.95Å; Y231-L271 HydrophobicContact CD1-CG 4.19Å; Y231-L271 HydrophobicContact CD2-CD2 4.01Å; Y231-L271 HydrophobicContact CE1-CD1 4.44Å; Y231-L271 HydrophobicContact CE1-CD2 3.97Å; Y231-L271 HydrophobicContact CE1-CG 4.01Å; Y231-L271 HydrophobicContact CE2-CD2 3.99Å; Y231-L271 HydrophobicContact CG-CD2 4Å; Y231-S275 VanDerWaalsContact CE1-OG 3.27Å; Y231-S275 WeakPolarHBondContact CE1-OG 3.46Å; Y231-S275 PolarHBondContact OH-OG 3.17Å; Y231-F364 HydrophobicContact CD2-CE1 4.15Å; Y231-F364 AromaticContact CE1-CE1 4Å; Y231-F364 HydrophobicContact CE1-CE1 4Å; Y231-F364 HydrophobicContact CE2-CD1 4.18Å; Y231-F364 AromaticContact CE2-CE1 3.6Å; Y231-F364 HydrophobicContact CE2-CE1 3.6Å; Y231-F364 AromaticContact CZ-CD1 3.87Å; Y231-F364 AromaticContact CZ-CE1 3.5Å; Y231-Y366 AromaticContact CD2-CD1 3.72Å; Y231-Y366 HydrophobicContact CD2-CD1 3.72Å; Y231-Y366 HydrophobicContact CD2-CD2 4.07Å; Y231-Y366 HydrophobicContact CD2-CE1 4.28Å; Y231-Y366 AromaticContact CD2-CG 3.61Å; Y231-Y366 HydrophobicContact CD2-CG 3.61Å; Y231-Y366 HydrophobicContact CE2-CD1 4.48Å; Y231-Y366 HydrophobicContact CE2-CG 4.21Å; Y231-Y366 HydrophobicContact CG-CG 4.48Å |
| 232 | F | 95.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69 | -44 | -178.9 | -74.7 | -42.5 | 0 | 0 | 0 | 112.9 | I228 Q229 S230 A234 L235 D236 L271 K274 R278 | I228-F232 HydrophobicContact CG2-CD2 3.86Å; I228-F232 HydrophobicContact CG2-CE2 3.54Å; I228-F232 HydrophobicContact CG2-CZ 4.38Å; I228-F232 WeakPolarHBondContact O-CD2 3.28Å; I228-F232 PolarHBondContact O-N 2.68Å; I228-F232 VanDerWaalsContact O-N 3.08Å; Q229-F232 PolarHBondContact O-N 2.91Å; S230-F232 PolarHBondContact O-N 3.14Å; F232-A234 VanDerWaalsContact C-N 3.27Å; F232-A234 PolarHBondContact O-N 3.25Å; F232-L235 WeakPolarHBondContact O-CB 3.02Å; F232-L235 PolarHBondContact O-N 2.85Å; F232-L235 VanDerWaalsContact O-N 3.16Å; F232-D236 VanDerWaalsContact O-CG 3.24Å; F232-D236 PolarHBondContact O-N 3.3Å; F232-L271 HydrophobicContact CE1-CD1 3.71Å; F232-L271 HydrophobicContact CE2-CD1 4.06Å; F232-L271 HydrophobicContact CZ-CD1 3.42Å; F232-L271 VanDerWaalsContact CZ-CD1 3.42Å; F232-K274 HydrophobicContact CE1-CB 4.1Å; F232-K274 HydrophobicContact CZ-CB 3.87Å; F232-K274 HydrophobicContact CZ-CD 4.08Å; F232-R278 VanDerWaalsContact CD2-NH2 3.27Å; F232-R278 VanDerWaalsContact CG-NE 3.34Å |
| 233 | V | 94.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 30% | 0.297 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | Q229 S230 L235 D236 R237 Y370 | Q229-V233 WeakPolarHBondContact O-CG2 3.33Å; Q229-V233 PolarHBondContact O-N 3.3Å; S230-V233 PolarHBondContact O-N 3.25Å; V233-L235 PolarHBondContact O-N 2.85Å; V233-D236 PolarHBondContact O-N 3.47Å; V233-R237 HydrophobicContact CG1-CG 4.42Å; V233-R237 WeakPolarHBondContact O-CB 3.38Å; V233-R237 WeakPolarHBondContact O-CG 3.45Å; V233-R237 PolarHBondContact O-N 3.12Å; V233-Y370 WeakPolarHBondContact CB-OH 3.4Å; V233-Y370 WeakPolarHBondContact CG1-OH 3.28Å |
| 234 | A | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H203 S230 Y231 F232 C238 F364 Y366 Y370 A372 | H203-A234 HydrophobicContact CB-CB 4.44Å; S230-A234 VanDerWaalsContact O-CB 3.26Å; S230-A234 WeakPolarHBondContact O-CB 3.5Å; S230-A234 PolarHBondContact O-N 2.93Å; Y231-A234 PolarHBondContact O-N 2.96Å; F232-A234 VanDerWaalsContact C-N 3.27Å; F232-A234 PolarHBondContact O-N 3.25Å; A234-C238 WeakPolarHBondContact O-CB 3.08Å; A234-C238 PolarHBondContact O-N 3.2Å; A234-C238 PolarHBondContact O-SG 3.16Å; A234-C238 VanDerWaalsContact O-SG 3.34Å; A234-F364 HydrophobicContact CB-CZ 4.34Å; A234-Y366 HydrophobicContact CB-CD2 4.19Å; A234-Y366 HydrophobicContact CB-CE2 4.21Å; A234-Y370 HydrophobicContact CB-CD2 4.46Å; A234-Y370 HydrophobicContact CB-CE2 4.09Å; A234-A372 HydrophobicContact CB-CB 3.65Å |
| 235 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -52.5 | 176.6 | 177.5 | 69 | 0 | 0 | 0 | 111.2 | Y231 F232 V233 R237 C238 Y239 F264 R278 L279 F364 M374 | Y231-L235 HydrophobicContact CE1-CD2 4.49Å; Y231-L235 WeakPolarHBondContact O-CB 3.38Å; Y231-L235 PolarHBondContact O-N 3.33Å; F232-L235 WeakPolarHBondContact O-CB 3.02Å; F232-L235 PolarHBondContact O-N 2.85Å; F232-L235 VanDerWaalsContact O-N 3.16Å; V233-L235 PolarHBondContact O-N 2.85Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 2.96Å; L235-C238 PolarHBondContact O-N 3.08Å; L235-Y239 WeakPolarHBondContact O-CB 3.24Å; L235-Y239 PolarHBondContact O-N 3.46Å; L235-F264 HydrophobicContact CD1-CD1 4.04Å; L235-F264 HydrophobicContact CD1-CE1 3.74Å; L235-F264 HydrophobicContact CD2-CE1 4.4Å; L235-R278 HydrophobicContact CD2-CB 4.41Å; L235-L279 HydrophobicContact CD1-CD2 4.08Å; L235-L279 HydrophobicContact CD2-CD2 4.28Å; L235-L279 HydrophobicContact CG-CD2 4.04Å; L235-F364 HydrophobicContact CB-CE1 4.13Å; L235-F364 HydrophobicContact CB-CE2 4.26Å; L235-F364 HydrophobicContact CB-CZ 3.86Å; L235-F364 HydrophobicContact CD1-CB 4.25Å; L235-F364 HydrophobicContact CD1-CD1 3.75Å; L235-F364 HydrophobicContact CD1-CD2 3.83Å; L235-F364 HydrophobicContact CD1-CE1 3.96Å; L235-F364 HydrophobicContact CD1-CE2 4.04Å; L235-F364 HydrophobicContact CD1-CG 3.65Å; L235-F364 HydrophobicContact CD1-CZ 4.1Å; L235-M374 HydrophobicContact CD1-CE 3.67Å |
| 236 | D | 95 | Very high | 95.4 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | -175.5 | -63.2 | -26.1 | 0 | 0 | 0 | 110.9 | F232 V233 S240 R278 P312 | F232-D236 VanDerWaalsContact O-CG 3.24Å; F232-D236 PolarHBondContact O-N 3.3Å; V233-D236 PolarHBondContact O-N 3.47Å; D236-S240 WeakPolarHBondContact O-CB 3.47Å; D236-S240 PolarHBondContact O-N 3.18Å; D236-S240 VanDerWaalsContact O-N 3.09Å; D236-S240 PolarHBondContact O-OG 3.18Å; D236-R278 IonicContact OD2-NH1 3.5Å; D236-R278 PolarHBondContact OD2-NH1 2.82Å; D236-P312 HydrophobicContact CB-CB 4.17Å; D236-P312 HydrophobicContact CB-CG 4.39Å; D236-P312 WeakPolarHBondContact OD2-CB 3.46Å |
| 237 | R | 95.6 | Very high | 95.3 | Very high | 150 Ų | 150 | 38.5 Ų | 38.5 | 57% | 0.566 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -67.5 | -47.6 | 175.8 | -69.2 | -67.8 | -177 | -178.4 | -2.7 | 112.4 | H203 V233 L235 L241 | H203-R237 HydrophobicContact CB-CB 4.22Å; V233-R237 HydrophobicContact CG1-CG 4.42Å; V233-R237 WeakPolarHBondContact O-CB 3.38Å; V233-R237 WeakPolarHBondContact O-CG 3.45Å; V233-R237 PolarHBondContact O-N 3.12Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 2.96Å; R237-L241 WeakPolarHBondContact O-CB 3.05Å; R237-L241 VanDerWaalsContact O-CG 3.28Å; R237-L241 WeakPolarHBondContact O-CG 3.27Å; R237-L241 PolarHBondContact O-N 2.68Å |
| 238 | C | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 177.5 | -82.5 | 0 | 0 | 0 | 0 | 110.7 | S201 H203 A234 L235 S240 L241 F242 F364 M374 | S201-C238 WeakPolarHBondContact CB-O 3.43Å; S201-C238 PolarHBondContact OG-O 3.32Å; H203-C238 PolarHBondContact N-SG 3.23Å; H203-C238 VanDerWaalsContact N-SG 3.45Å; A234-C238 WeakPolarHBondContact O-CB 3.08Å; A234-C238 PolarHBondContact O-N 3.2Å; A234-C238 PolarHBondContact O-SG 3.16Å; A234-C238 VanDerWaalsContact O-SG 3.34Å; L235-C238 PolarHBondContact O-N 3.08Å; C238-S240 PolarHBondContact O-N 3.04Å; C238-L241 PolarHBondContact O-N 2.75Å; C238-F242 VanDerWaalsContact O-CB 3.24Å; C238-F242 WeakPolarHBondContact O-CB 3.48Å; C238-F242 PolarHBondContact O-N 3.2Å; C238-F364 HydrophobicContact CB-CD2 4.35Å; C238-F364 HydrophobicContact CB-CE2 4.01Å; C238-M374 HydrophobicContact CB-CB 3.86Å; C238-M374 HydrophobicContact CB-CE 4.16Å |
| 239 | Y | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -48 | -179.3 | -172.3 | -119 | 0 | 0 | 0 | 112.6 | L235 L241 F242 C243 N255 V256 L279 T282 D283 L362 M374 | L235-Y239 WeakPolarHBondContact O-CB 3.24Å; L235-Y239 PolarHBondContact O-N 3.46Å; Y239-L241 VanDerWaalsContact C-N 3.32Å; Y239-L241 PolarHBondContact O-N 2.75Å; Y239-F242 WeakPolarHBondContact O-CB 3.43Å; Y239-F242 PolarHBondContact O-N 3.31Å; Y239-C243 PolarHBondContact O-N 3.41Å; Y239-C243 PolarHBondContact O-SG 3.01Å; Y239-C243 VanDerWaalsContact O-SG 3.41Å; Y239-N255 VanDerWaalsContact OH-C 3.31Å; Y239-N255 WeakPolarHBondContact OH-CA 3.43Å; Y239-V256 PolarHBondContact OH-N 2.96Å; Y239-L279 HydrophobicContact CD1-CD2 3.75Å; Y239-L279 HydrophobicContact CD2-CD1 4.02Å; Y239-L279 HydrophobicContact CD2-CD2 3.91Å; Y239-L279 HydrophobicContact CD2-CG 4.5Å; Y239-L279 HydrophobicContact CE1-CB 4.33Å; Y239-L279 HydrophobicContact CE1-CD2 4.3Å; Y239-L279 HydrophobicContact CE2-CD1 4.04Å; Y239-L279 HydrophobicContact CE2-CD2 4.45Å; Y239-L279 HydrophobicContact CG-CD1 4.48Å; Y239-L279 HydrophobicContact CG-CD2 3.52Å; Y239-L279 HydrophobicContact CG-CG 4.49Å; Y239-T282 HydrophobicContact CD1-CG2 3.9Å; Y239-T282 HydrophobicContact CE1-CG2 4.28Å; Y239-D283 WeakPolarHBondContact CE1-OD1 3.23Å; Y239-D283 PolarHBondContact OH-OD1 3.36Å; Y239-D283 PolarHBondContact OH-OD2 3.14Å; Y239-L362 HydrophobicContact CD2-CD2 4.15Å; Y239-L362 HydrophobicContact CE2-CD2 3.83Å; Y239-M374 HydrophobicContact CD2-CE 4.19Å; Y239-M374 HydrophobicContact CD2-SD 3.56Å; Y239-M374 VanDerWaalsContact CD2-SD 3.56Å; Y239-M374 HydrophobicContact CG-CE 4.49Å; Y239-M374 HydrophobicContact CG-SD 4.29Å |
| 240 | S | 94.7 | Very high | 95 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 112 | D236 C238 K244 | D236-S240 WeakPolarHBondContact O-CB 3.47Å; D236-S240 PolarHBondContact O-N 3.18Å; D236-S240 VanDerWaalsContact O-N 3.09Å; D236-S240 PolarHBondContact O-OG 3.18Å; C238-S240 PolarHBondContact O-N 3.04Å; S240-K244 PolarHBondContact O-N 3.46Å |
| 241 | L | 96 | Very high | 94.7 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 176.9 | -73 | 174.7 | 0 | 0 | 0 | 112.4 | R237 C238 Y239 K244 K245 | R237-L241 WeakPolarHBondContact O-CB 3.05Å; R237-L241 VanDerWaalsContact O-CG 3.28Å; R237-L241 WeakPolarHBondContact O-CG 3.27Å; R237-L241 PolarHBondContact O-N 2.68Å; C238-L241 PolarHBondContact O-N 2.75Å; Y239-L241 VanDerWaalsContact C-N 3.32Å; Y239-L241 PolarHBondContact O-N 2.75Å; L241-K244 PolarHBondContact O-N 3.41Å; L241-K245 WeakPolarHBondContact O-CB 3.32Å; L241-K245 WeakPolarHBondContact O-CG 3.39Å; L241-K245 PolarHBondContact O-N 3.18Å |
| 242 | F | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.7 | -53.9 | 176.2 | -178.1 | -86.7 | 0 | 0 | 0 | 109.5 | V199 S201 C238 Y239 K244 K245 Y246 F259 L362 M374 | V199-F242 HydrophobicContact CB-CE2 4.36Å; V199-F242 HydrophobicContact CG1-CD2 3.88Å; V199-F242 HydrophobicContact CG1-CE1 4.41Å; V199-F242 HydrophobicContact CG1-CE2 3.58Å; V199-F242 HydrophobicContact CG1-CG 4.44Å; V199-F242 HydrophobicContact CG1-CZ 3.87Å; S201-F242 WeakPolarHBondContact OG-CB 3.38Å; C238-F242 VanDerWaalsContact O-CB 3.24Å; C238-F242 WeakPolarHBondContact O-CB 3.48Å; C238-F242 PolarHBondContact O-N 3.2Å; Y239-F242 WeakPolarHBondContact O-CB 3.43Å; Y239-F242 PolarHBondContact O-N 3.31Å; F242-K244 VanDerWaalsContact C-N 3.3Å; F242-K244 PolarHBondContact O-N 2.92Å; F242-K245 PolarHBondContact O-N 3.29Å; F242-K245 VanDerWaalsContact O-N 3.14Å; F242-Y246 AromaticContact CE1-CD2 3.81Å; F242-Y246 HydrophobicContact CE1-CD2 3.81Å; F242-Y246 HydrophobicContact CE1-CG 4.25Å; F242-Y246 AromaticContact CZ-CD2 3.93Å; F242-Y246 HydrophobicContact CZ-CD2 3.93Å; F242-Y246 VanDerWaalsContact O-CB 3.26Å; F242-Y246 WeakPolarHBondContact O-CB 3.45Å; F242-Y246 PolarHBondContact O-N 3.38Å; F242-F259 HydrophobicContact CE1-CE1 4.37Å; F242-F259 AromaticContact CE1-CZ 3.74Å; F242-F259 HydrophobicContact CE1-CZ 3.74Å; F242-F259 HydrophobicContact CZ-CZ 4.33Å; F242-L362 HydrophobicContact CD1-CD1 4.02Å; F242-L362 HydrophobicContact CD2-CD1 4.4Å; F242-L362 HydrophobicContact CE1-CD1 3.75Å; F242-L362 HydrophobicContact CE2-CD1 4.12Å; F242-L362 HydrophobicContact CG-CD1 4.36Å; F242-L362 HydrophobicContact CZ-CD1 3.79Å; F242-M374 HydrophobicContact CB-CB 4.42Å; F242-M374 HydrophobicContact CB-CG 4.39Å; F242-M374 HydrophobicContact CB-SD 4.19Å; F242-M374 HydrophobicContact CD2-CB 4.41Å; F242-M374 HydrophobicContact CD2-CG 4.21Å; F242-M374 HydrophobicContact CG-CG 4.29Å; F242-M374 HydrophobicContact CG-SD 4.39Å |
| 243 | C | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | -178 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | Y239 Y246 N247 S254 R286 | Y239-C243 PolarHBondContact O-N 3.41Å; Y239-C243 PolarHBondContact O-SG 3.01Å; Y239-C243 VanDerWaalsContact O-SG 3.41Å; C243-Y246 PolarHBondContact O-N 3.37Å; C243-N247 WeakPolarHBondContact O-CB 3.26Å; C243-N247 PolarHBondContact O-N 3.27Å; C243-S254 VanDerWaalsContact CA-OG 3.25Å; C243-S254 WeakPolarHBondContact CA-OG 3.42Å; C243-S254 WeakPolarHBondContact CB-OG 3.34Å; C243-S254 PolarHBondContact SG-O 3.38Å; C243-S254 PolarHBondContact SG-OG 3.33Å; C243-R286 PolarHBondContact SG-NH1 2.96Å |
| 244 | K | 94.3 | Very high | 93.9 | Very high | 139 Ų | 139 | 55 Ų | 55 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 173.1 | -174.9 | 177.8 | -179 | 177.4 | 0 | 112.2 | S240 L241 F242 Y246 N248 | S240-K244 PolarHBondContact O-N 3.46Å; L241-K244 PolarHBondContact O-N 3.41Å; F242-K244 VanDerWaalsContact C-N 3.3Å; F242-K244 PolarHBondContact O-N 2.92Å; K244-Y246 VanDerWaalsContact C-N 3.34Å; K244-N248 PolarHBondContact O-N 2.86Å; K244-N248 VanDerWaalsContact O-N 3.11Å; K244-N248 PolarHBondContact O-ND2 3.45Å; K244-N248 PolarHBondContact O-OD1 2.94Å |
| 245 | K | 95.5 | Very high | 93.8 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.2 | -74.8 | 178.5 | 176.4 | -172.4 | 0 | 111.6 | V199 R200 L241 F242 N248 V249 | V199-K245 HydrophobicContact CG1-CB 4.03Å; R200-K245 VanDerWaalsContact O-CD 3.25Å; R200-K245 WeakPolarHBondContact O-CD 3.19Å; R200-K245 PolarHBondContact O-NZ 3.44Å; L241-K245 WeakPolarHBondContact O-CB 3.32Å; L241-K245 WeakPolarHBondContact O-CG 3.39Å; L241-K245 PolarHBondContact O-N 3.18Å; F242-K245 PolarHBondContact O-N 3.29Å; F242-K245 VanDerWaalsContact O-N 3.14Å; K245-N248 PolarHBondContact O-N 3.41Å; K245-V249 WeakPolarHBondContact O-CG2 3.24Å; K245-V249 PolarHBondContact O-N 2.99Å |
| 246 | Y | 94 | Very high | 93.6 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -52 | 178.1 | -171.6 | -80.4 | 0 | 0 | 0 | 110.7 | V199 F242 C243 K244 N248 V249 Y250 E252 R360 | V199-Y246 HydrophobicContact CG1-CD2 4.27Å; F242-Y246 AromaticContact CE1-CD2 3.81Å; F242-Y246 HydrophobicContact CE1-CD2 3.81Å; F242-Y246 HydrophobicContact CE1-CG 4.25Å; F242-Y246 AromaticContact CZ-CD2 3.93Å; F242-Y246 HydrophobicContact CZ-CD2 3.93Å; F242-Y246 VanDerWaalsContact O-CB 3.26Å; F242-Y246 WeakPolarHBondContact O-CB 3.45Å; F242-Y246 PolarHBondContact O-N 3.38Å; C243-Y246 PolarHBondContact O-N 3.37Å; K244-Y246 VanDerWaalsContact C-N 3.34Å; Y246-N248 VanDerWaalsContact C-N 3.29Å; Y246-N248 PolarHBondContact O-N 2.84Å; Y246-V249 PolarHBondContact O-N 3.02Å; Y246-V249 VanDerWaalsContact O-N 3.12Å; Y246-Y250 HydrophobicContact CD1-CD2 4.07Å; Y246-Y250 AromaticContact CD2-CD2 3.64Å; Y246-Y250 HydrophobicContact CD2-CD2 3.64Å; Y246-Y250 AromaticContact CD2-CE2 3.86Å; Y246-Y250 HydrophobicContact CD2-CE2 3.86Å; Y246-Y250 AromaticContact CE1-CD2 3.92Å; Y246-Y250 HydrophobicContact CE1-CD2 3.92Å; Y246-Y250 HydrophobicContact CE1-CG 4.44Å; Y246-Y250 AromaticContact CE2-CD2 3.48Å; Y246-Y250 HydrophobicContact CE2-CD2 3.48Å; Y246-Y250 VanDerWaalsContact CE2-CD2 3.48Å; Y246-Y250 AromaticContact CE2-CE2 3.69Å; Y246-Y250 HydrophobicContact CE2-CE2 3.69Å; Y246-Y250 AromaticContact CG-CD2 3.93Å; Y246-Y250 HydrophobicContact CG-CD2 3.93Å; Y246-Y250 AromaticContact CZ-CD2 3.61Å; Y246-Y250 PolarHBondContact O-N 3.11Å; Y246-E252 WeakPolarHBondContact CD1-O 3.34Å; Y246-E252 HydrophobicContact CE1-CB 3.99Å; Y246-E252 PolarHBondContact OH-OE2 2.91Å; Y246-R360 PolarHBondContact OH-NH1 3Å |
| 247 | N | 93.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58 | -41.9 | 176.3 | -173.7 | 35 | 0 | 0 | 0 | 112.1 | C243 V249 A251 E252 | C243-N247 WeakPolarHBondContact O-CB 3.26Å; C243-N247 PolarHBondContact O-N 3.27Å; N247-V249 VanDerWaalsContact C-N 3.31Å; N247-V249 PolarHBondContact O-N 3.09Å; N247-A251 WeakPolarHBondContact O-CA 3.27Å; N247-A251 PolarHBondContact O-N 3.38Å; N247-E252 VanDerWaalsContact CA-O 3.3Å; N247-E252 WeakPolarHBondContact CA-O 3.37Å |
| 248 | N | 92.8 | Very high | 93.2 | Very high | 120 Ų | 120 | 52.7 Ų | 52.7 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65 | -32.2 | 178.2 | -70.2 | -11 | 0 | 0 | 0 | 113.9 | K244 K245 Y246 | K244-N248 PolarHBondContact O-N 2.86Å; K244-N248 VanDerWaalsContact O-N 3.11Å; K244-N248 PolarHBondContact O-ND2 3.45Å; K244-N248 PolarHBondContact O-OD1 2.94Å; K245-N248 PolarHBondContact O-N 3.41Å; Y246-N248 VanDerWaalsContact C-N 3.29Å; Y246-N248 PolarHBondContact O-N 2.84Å |
| 249 | V | 92.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -89.2 | -39.3 | -176 | 171.5 | 0 | 0 | 0 | 0 | 112 | R198 V199 K245 Y246 N247 | R198-V249 HydrophobicContact CB-CG1 3.87Å; R198-V249 HydrophobicContact CB-CG2 4.4Å; V199-V249 HydrophobicContact CG2-CB 3.81Å; V199-V249 HydrophobicContact CG2-CG1 4Å; V199-V249 HydrophobicContact CG2-CG2 3.94Å; K245-V249 WeakPolarHBondContact O-CG2 3.24Å; K245-V249 PolarHBondContact O-N 2.99Å; Y246-V249 PolarHBondContact O-N 3.02Å; Y246-V249 VanDerWaalsContact O-N 3.12Å; N247-V249 VanDerWaalsContact C-N 3.31Å; N247-V249 PolarHBondContact O-N 3.09Å |
| 250 | Y | 89.8 | Confident | 92.4 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 26% | 0.263 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -107.9 | -5.8 | -173.3 | -60.9 | -62.5 | 0 | 0 | 0 | 114.1 | H196 V199 Y246 E252 | H196-Y250 PolarHBondContact ND1-OH 3.25Å; H196-Y250 VanDerWaalsContact ND1-OH 3.1Å; V199-Y250 HydrophobicContact CB-CE2 4.43Å; V199-Y250 HydrophobicContact CG2-CD2 4.11Å; V199-Y250 HydrophobicContact CG2-CE2 3.49Å; V199-Y250 VanDerWaalsContact CG2-CE2 3.49Å; Y246-Y250 HydrophobicContact CD1-CD2 4.07Å; Y246-Y250 AromaticContact CD2-CD2 3.64Å; Y246-Y250 HydrophobicContact CD2-CD2 3.64Å; Y246-Y250 AromaticContact CD2-CE2 3.86Å; Y246-Y250 HydrophobicContact CD2-CE2 3.86Å; Y246-Y250 AromaticContact CE1-CD2 3.92Å; Y246-Y250 HydrophobicContact CE1-CD2 3.92Å; Y246-Y250 HydrophobicContact CE1-CG 4.44Å; Y246-Y250 AromaticContact CE2-CD2 3.48Å; Y246-Y250 HydrophobicContact CE2-CD2 3.48Å; Y246-Y250 VanDerWaalsContact CE2-CD2 3.48Å; Y246-Y250 AromaticContact CE2-CE2 3.69Å; Y246-Y250 HydrophobicContact CE2-CE2 3.69Å; Y246-Y250 AromaticContact CG-CD2 3.93Å; Y246-Y250 HydrophobicContact CG-CD2 3.93Å; Y246-Y250 AromaticContact CZ-CD2 3.61Å; Y246-Y250 PolarHBondContact O-N 3.11Å; Y250-E252 PolarHBondContact O-N 3.09Å |
| 251 | A | 89.2 | Confident | 92.2 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 54.5 | 30.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N247 | N247-A251 WeakPolarHBondContact O-CA 3.27Å; N247-A251 PolarHBondContact O-N 3.38Å |
| 252 | E | 87.7 | Confident | 92.1 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -127.1 | 132.3 | 179.6 | -72.6 | 174.4 | -177.9 | 0 | 0 | 108.5 | Y246 N247 Y250 S254 R360 | Y246-E252 WeakPolarHBondContact CD1-O 3.34Å; Y246-E252 HydrophobicContact CE1-CB 3.99Å; Y246-E252 PolarHBondContact OH-OE2 2.91Å; N247-E252 VanDerWaalsContact CA-O 3.3Å; N247-E252 WeakPolarHBondContact CA-O 3.37Å; Y250-E252 PolarHBondContact O-N 3.09Å; E252-S254 PolarHBondContact O-N 3.47Å; E252-R360 IonicContact OE2-NH1 3.2Å |
| 253 | E | 88.4 | Confident | 91.9 | Very high | 139 Ų | 139 | 50.2 Ų | 50.2 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | trans | -70 | 128.2 | 170.5 | -71 | -164.8 | 160.8 | 0 | 0 | 110.4 | ||||
| 254 | S | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -101.2 | 141.3 | 172.6 | 62 | 0 | 0 | 0 | 0 | 112.3 | C243 E252 R286 | C243-S254 VanDerWaalsContact CA-OG 3.25Å; C243-S254 WeakPolarHBondContact CA-OG 3.42Å; C243-S254 WeakPolarHBondContact CB-OG 3.34Å; C243-S254 PolarHBondContact SG-O 3.38Å; C243-S254 PolarHBondContact SG-OG 3.33Å; E252-S254 PolarHBondContact O-N 3.47Å; S254-R286 PolarHBondContact O-NH1 2.63Å; S254-R286 PolarHBondContact O-NH2 3.25Å | ||
| 255 | N | 93.9 | Very high | 92 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | trans | -148.4 | 179.3 | 178.7 | 55.9 | 34.3 | 0 | 0 | 0 | 109.4 | Y239 S257 S258 F259 D283 V288 L293 | Y239-N255 VanDerWaalsContact OH-C 3.31Å; Y239-N255 WeakPolarHBondContact OH-CA 3.43Å; N255-S257 PolarHBondContact O-N 3.25Å; N255-S257 PolarHBondContact OD1-N 3.04Å; N255-S257 PolarHBondContact OD1-OG 3.46Å; N255-S258 PolarHBondContact N-OG 3.35Å; N255-S258 VanDerWaalsContact O-CB 3.23Å; N255-S258 WeakPolarHBondContact O-CB 3.34Å; N255-S258 PolarHBondContact O-N 2.84Å; N255-S258 VanDerWaalsContact O-N 3.07Å; N255-S258 PolarHBondContact O-OG 2.88Å; N255-S258 PolarHBondContact OD1-N 2.86Å; N255-S258 PolarHBondContact OD1-OG 3.4Å; N255-F259 VanDerWaalsContact O-CD2 3.26Å; N255-F259 WeakPolarHBondContact O-CD2 3.31Å; N255-F259 VanDerWaalsContact O-CE2 3.27Å; N255-F259 WeakPolarHBondContact O-CE2 3.4Å; N255-D283 WeakPolarHBondContact CA-OD2 3.27Å; N255-D283 WeakPolarHBondContact CB-OD2 3.26Å; N255-V288 HydrophobicContact CB-CG1 4.42Å; N255-V288 HydrophobicContact CB-CG2 4.29Å; N255-L293 HydrophobicContact CB-CD2 4.11Å | ||
| 256 | V | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -55.9 | -34.9 | 179.7 | 166.4 | 0 | 0 | 0 | 0 | 113 | Y239 S258 I262 L276 L279 V280 D283 L293 T332 | Y239-V256 PolarHBondContact OH-N 2.96Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 3.03Å; V256-I262 HydrophobicContact CB-CD1 4.3Å; V256-I262 HydrophobicContact CG1-CD1 3.76Å; V256-I262 HydrophobicContact CG2-CD1 4.34Å; V256-L276 HydrophobicContact CG1-CD1 4.26Å; V256-L279 HydrophobicContact CG2-CB 3.67Å; V256-V280 HydrophobicContact CG1-CG2 4.35Å; V256-V280 HydrophobicContact CG2-CG2 4.37Å; V256-D283 WeakPolarHBondContact CG2-OD2 3.38Å; V256-D283 PolarHBondContact N-OD2 3.16Å; V256-L293 HydrophobicContact CB-CD2 4.23Å; V256-T332 HydrophobicContact CG1-CG2 3.92Å |
| 257 | S | 90.7 | Very high | 91.5 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -78.6 | -12.8 | 179.6 | 50.4 | 0 | 0 | 0 | 0 | 114.4 | N255 F259 S292 | N255-S257 PolarHBondContact O-N 3.25Å; N255-S257 PolarHBondContact OD1-N 3.04Å; N255-S257 PolarHBondContact OD1-OG 3.46Å; S257-F259 PolarHBondContact O-N 2.98Å; S257-S292 WeakPolarHBondContact CB-O 3.39Å; S257-S292 PolarHBondContact OG-O 3.44Å |
| 258 | S | 91.2 | Very high | 91.5 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -67.1 | -14.4 | 174.7 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | N255 V256 | N255-S258 PolarHBondContact N-OG 3.35Å; N255-S258 VanDerWaalsContact O-CB 3.23Å; N255-S258 WeakPolarHBondContact O-CB 3.34Å; N255-S258 PolarHBondContact O-N 2.84Å; N255-S258 VanDerWaalsContact O-N 3.07Å; N255-S258 PolarHBondContact O-OG 2.88Å; N255-S258 PolarHBondContact OD1-N 2.86Å; N255-S258 PolarHBondContact OD1-OG 3.4Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 3.03Å |
| 259 | F | 91.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | trans | -117.2 | 135.2 | -174.8 | -54 | -77.7 | 0 | 0 | 0 | 111.3 | F242 N255 S257 I262 K336 R360 L362 | F242-F259 HydrophobicContact CE1-CE1 4.37Å; F242-F259 AromaticContact CE1-CZ 3.74Å; F242-F259 HydrophobicContact CE1-CZ 3.74Å; F242-F259 HydrophobicContact CZ-CZ 4.33Å; N255-F259 VanDerWaalsContact O-CD2 3.26Å; N255-F259 WeakPolarHBondContact O-CD2 3.31Å; N255-F259 VanDerWaalsContact O-CE2 3.27Å; N255-F259 WeakPolarHBondContact O-CE2 3.4Å; S257-F259 PolarHBondContact O-N 2.98Å; F259-I262 HydrophobicContact CB-CG1 4.09Å; F259-K336 PolarHBondContact O-NZ 2.91Å; F259-R360 CarbonylContact C-O 3.43Å; F259-R360 VanDerWaalsContact CA-O 3.29Å; F259-R360 WeakPolarHBondContact CA-O 3.18Å; F259-R360 HydrophobicContact CD1-CB 4.08Å; F259-L362 HydrophobicContact CB-CB 4.16Å; F259-L362 HydrophobicContact CD1-CB 3.75Å; F259-L362 HydrophobicContact CD2-CB 3.9Å; F259-L362 HydrophobicContact CD2-CD2 3.99Å; F259-L362 HydrophobicContact CD2-CG 4.43Å; F259-L362 HydrophobicContact CE1-CB 4.14Å; F259-L362 HydrophobicContact CE1-CD1 4.18Å; F259-L362 HydrophobicContact CE2-CB 4.28Å; F259-L362 HydrophobicContact CE2-CD1 4.28Å; F259-L362 HydrophobicContact CE2-CD2 3.96Å; F259-L362 HydrophobicContact CE2-CG 4.42Å; F259-L362 HydrophobicContact CG-CB 3.63Å; F259-L362 HydrophobicContact CZ-CB 4.41Å; F259-L362 HydrophobicContact CZ-CD1 4.02Å | ||
| 260 | G | 86.6 | Confident | 91.6 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -71.9 | -31.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q359 R360 | G260-Q359 VanDerWaalsContact CA-OE1 3.28Å; G260-R360 PolarHBondContact N-O 3.46Å |
| 261 | G | 90.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 148.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K336 L361 L362 | G261-K336 WeakPolarHBondContact CA-O 3.15Å; G261-L361 WeakPolarHBondContact O-CA 3.35Å; G261-L362 PolarHBondContact O-N 3.4Å |
| 262 | I | 94.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 112.9 | 179.7 | -53.8 | 177.5 | 0 | 0 | 0 | 108.2 | V256 F259 F264 L276 L279 K336 T337 L362 | V256-I262 HydrophobicContact CB-CD1 4.3Å; V256-I262 HydrophobicContact CG1-CD1 3.76Å; V256-I262 HydrophobicContact CG2-CD1 4.34Å; F259-I262 HydrophobicContact CB-CG1 4.09Å; I262-F264 HydrophobicContact CB-CE2 4.2Å; I262-F264 HydrophobicContact CG2-CD2 4.2Å; I262-F264 HydrophobicContact CG2-CE1 4.35Å; I262-F264 HydrophobicContact CG2-CE2 3.38Å; I262-F264 HydrophobicContact CG2-CZ 3.47Å; I262-F264 VanDerWaalsContact CG2-CZ 3.47Å; I262-L276 HydrophobicContact CB-CD1 4.44Å; I262-L276 HydrophobicContact CD1-CD1 3.72Å; I262-L276 HydrophobicContact CG2-CD1 4.49Å; I262-L279 HydrophobicContact CG2-CD1 4.27Å; I262-K336 HydrophobicContact CD1-CD 4.47Å; I262-K336 PolarHBondContact N-O 3.15Å; I262-T337 WeakPolarHBondContact O-CB 3.44Å; I262-T337 WeakPolarHBondContact O-CG2 3.24Å; I262-T337 PolarHBondContact O-OG1 2.65Å; I262-L362 CarbonylContact C-O 3.54Å; I262-L362 WeakPolarHBondContact CA-O 2.98Å; I262-L362 HydrophobicContact CG1-CB 4.25Å; I262-L362 HydrophobicContact CG2-CB 4.26Å; I262-L362 HydrophobicContact CG2-CD2 4.21Å; I262-L362 HydrophobicContact CG2-CG 4.49Å |
| 263 | L | 94.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 20% | 0.204 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140 | -175 | -67.1 | 76.3 | 0 | 0 | 0 | 109.5 | L361 L362 L363 F364 | L263-L361 HydrophobicContact CD1-CB 4.37Å; L263-L361 HydrophobicContact CD1-CD1 4.31Å; L263-L361 HydrophobicContact CD1-CD2 4.46Å; L263-L362 PolarHBondContact N-O 3.1Å; L263-L363 HydrophobicContact CB-CD2 4.49Å; L263-L363 HydrophobicContact CB-CG 4.3Å; L263-L363 HydrophobicContact CD2-CD2 4.48Å; L263-L363 CarbonylContact O-C 3.55Å; L263-L363 WeakPolarHBondContact O-CA 3.47Å; L263-F364 PolarHBondContact O-N 2.98Å |
| 264 | F | 96.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.7 | -178.7 | -61.5 | -95.8 | 0 | 0 | 0 | 110.5 | L235 I262 T266 V272 L276 L279 T337 F364 | L235-F264 HydrophobicContact CD1-CD1 4.04Å; L235-F264 HydrophobicContact CD1-CE1 3.74Å; L235-F264 HydrophobicContact CD2-CE1 4.4Å; I262-F264 HydrophobicContact CB-CE2 4.2Å; I262-F264 HydrophobicContact CG2-CD2 4.2Å; I262-F264 HydrophobicContact CG2-CE1 4.35Å; I262-F264 HydrophobicContact CG2-CE2 3.38Å; I262-F264 HydrophobicContact CG2-CZ 3.47Å; I262-F264 VanDerWaalsContact CG2-CZ 3.47Å; F264-T266 PolarHBondContact O-OG1 2.84Å; F264-V272 HydrophobicContact CB-CG1 3.95Å; F264-V272 HydrophobicContact CB-CG2 4.03Å; F264-V272 HydrophobicContact CD2-CG1 3.56Å; F264-V272 HydrophobicContact CE2-CG1 4.34Å; F264-V272 HydrophobicContact CG-CG1 4.03Å; F264-L276 HydrophobicContact CE2-CB 4.19Å; F264-L276 HydrophobicContact CE2-CD1 4.45Å; F264-L276 HydrophobicContact CZ-CB 4.27Å; F264-L276 HydrophobicContact CZ-CD1 4.42Å; F264-L279 HydrophobicContact CE1-CD1 3.95Å; F264-L279 HydrophobicContact CE1-CG 4.34Å; F264-L279 HydrophobicContact CZ-CD1 3.72Å; F264-L279 HydrophobicContact CZ-CG 4.23Å; F264-T337 HydrophobicContact CD2-CG2 3.89Å; F264-T337 HydrophobicContact CE2-CG2 3.98Å; F264-F364 CarbonylContact C-O 3.58Å; F264-F364 HydrophobicContact CD1-CB 3.85Å; F264-F364 HydrophobicContact CD1-CD1 4.1Å; F264-F364 HydrophobicContact CD1-CG 4.32Å; F264-F364 HydrophobicContact CE1-CB 4.47Å |
| 265 | H | 94.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 22.6 Ų | 22.6 | 14% | 0.139 | 13% | 0.127 | C | C | . | . | trans | -60.3 | 132.3 | 160.3 | 176.2 | -100.1 | 0 | 0 | 0 | 109.6 | C135 Y231 P267 F364 Y366 | C135-H265 VanDerWaalsContact CB-NE2 3.35Å; C135-H265 WeakPolarHBondContact CB-NE2 3.26Å; Y231-H265 HydrophobicContact CE2-CB 4.22Å; Y231-H265 AromaticContact CE2-ND1 3.94Å; Y231-H265 PolarHBondContact OH-O 3.09Å; H265-P267 WeakPolarHBondContact O-CD 3.36Å; H265-F364 PolarHBondContact N-O 3.5Å; H265-Y366 PolarHBondContact CD2-O 2.95Å; H265-Y366 VanDerWaalsContact CD2-O 3.3Å | ||
| 266 | T | 92.1 | Very high | 93 | Very high | 11 Ų | 11 | 21.6 Ų | 21.6 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | trans | -127 | 88.9 | -168.2 | -46.7 | 0 | 0 | 0 | 0 | 111 | F264 Y268 V272 L341 N349 | F264-T266 PolarHBondContact O-OG1 2.84Å; T266-Y268 VanDerWaalsContact C-N 3.27Å; T266-V272 HydrophobicContact CG2-CG2 3.7Å; T266-V272 WeakPolarHBondContact OG1-CG2 3.11Å; T266-L341 HydrophobicContact CG2-CD2 3.8Å; T266-N349 WeakPolarHBondContact CB-OD1 3.31Å; T266-N349 PolarHBondContact N-ND2 2.79Å; T266-N349 VanDerWaalsContact N-ND2 3.14Å; T266-N349 PolarHBondContact OG1-OD1 3.47Å | ||
| 267 | P | 88.1 | Confident | 93.1 | Very high | 42 Ų | 42 | 21.8 Ų | 21.8 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -63.6 | -39.4 | 161.7 | -16.8 | 30.6 | 0 | 0 | 0 | 110.5 | Q59 H265 L271 | Q59-P267 PolarHBondContact NE2-O 3.16Å; H265-P267 WeakPolarHBondContact O-CD 3.36Å; P267-L271 HydrophobicContact CG-CD2 3.77Å |
| 268 | Y | 92.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 19.5 Ų | 19.5 | 14% | 0.141 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -159.6 | 148.8 | 173.1 | 55 | -91.1 | 0 | 0 | 0 | 111.9 | L57 T177 I228 T266 K270 L271 | L57-Y268 HydrophobicContact CB-CD2 4.32Å; L57-Y268 HydrophobicContact CB-CG 4.28Å; L57-Y268 HydrophobicContact CD2-CD1 4.34Å; L57-Y268 HydrophobicContact CD2-CD2 3.86Å; L57-Y268 HydrophobicContact CD2-CE2 4.09Å; L57-Y268 HydrophobicContact CD2-CG 4.01Å; T177-Y268 HydrophobicContact CG2-CD1 4.16Å; I228-Y268 VanDerWaalsContact CD1-OH 3.26Å; I228-Y268 WeakPolarHBondContact CD1-OH 3.42Å; T266-Y268 VanDerWaalsContact C-N 3.27Å; Y268-K270 VanDerWaalsContact C-N 3.26Å; Y268-K270 HydrophobicContact CD2-CB 3.89Å; Y268-K270 HydrophobicContact CE2-CB 4.1Å; Y268-K270 PolarHBondContact O-N 2.93Å; Y268-K270 VanDerWaalsContact O-N 3.16Å; Y268-L271 HydrophobicContact CD2-CB 3.93Å; Y268-L271 HydrophobicContact CE1-CB 4.34Å; Y268-L271 HydrophobicContact CE2-CB 3.55Å; Y268-L271 VanDerWaalsContact CE2-N 3.34Å; Y268-L271 HydrophobicContact CG-CB 4.47Å; Y268-L271 WeakPolarHBondContact O-CB 3.27Å; Y268-L271 PolarHBondContact O-N 3.14Å; Y268-L271 VanDerWaalsContact O-N 3.08Å |
| 269 | S | 92.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.028 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.1 | -35.5 | -171.6 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | L57 G58 L271 V272 Q273 R345 | L57-S269 PolarHBondContact O-N 3.11Å; L57-S269 VanDerWaalsContact O-N 3.08Å; G58-S269 VanDerWaalsContact O-CB 3.28Å; G58-S269 WeakPolarHBondContact O-CB 3.44Å; G58-S269 PolarHBondContact O-OG 3.31Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 2.79Å; S269-V272 PolarHBondContact O-N 2.69Å; S269-Q273 PolarHBondContact O-N 2.76Å; S269-Q273 VanDerWaalsContact O-N 3.11Å; S269-R345 WeakPolarHBondContact OG-CG 3.01Å |
| 270 | K | 94 | Very high | 93.5 | Very high | 67 Ų | 67 | 17.4 Ų | 17.4 | 29% | 0.291 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -65.2 | -33.9 | -179.7 | -168.7 | 66.9 | 179.1 | 178.4 | 0 | 112.9 | G56 L57 Y268 V272 Q273 K274 | G56-K270 VanDerWaalsContact O-CB 3.25Å; G56-K270 WeakPolarHBondContact O-CB 3.42Å; G56-K270 WeakPolarHBondContact O-CG 3.48Å; L57-K270 PolarHBondContact O-N 2.73Å; Y268-K270 VanDerWaalsContact C-N 3.26Å; Y268-K270 HydrophobicContact CD2-CB 3.89Å; Y268-K270 HydrophobicContact CE2-CB 4.1Å; Y268-K270 PolarHBondContact O-N 2.93Å; Y268-K270 VanDerWaalsContact O-N 3.16Å; K270-V272 VanDerWaalsContact C-N 3.29Å; K270-V272 PolarHBondContact O-N 2.77Å; K270-Q273 PolarHBondContact O-N 3.37Å; K270-K274 WeakPolarHBondContact O-CG 3.3Å; K270-K274 PolarHBondContact O-N 2.98Å; K270-K274 VanDerWaalsContact O-N 3.16Å |
| 271 | L | 94.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 175.5 | -173.6 | 66 | 0 | 0 | 0 | 110.7 | I228 Y231 F232 P267 Y268 S269 K274 S275 | I228-L271 HydrophobicContact CG2-CD1 4.11Å; Y231-L271 HydrophobicContact CD1-CD1 4.24Å; Y231-L271 HydrophobicContact CD1-CD2 3.95Å; Y231-L271 HydrophobicContact CD1-CG 4.19Å; Y231-L271 HydrophobicContact CD2-CD2 4.01Å; Y231-L271 HydrophobicContact CE1-CD1 4.44Å; Y231-L271 HydrophobicContact CE1-CD2 3.97Å; Y231-L271 HydrophobicContact CE1-CG 4.01Å; Y231-L271 HydrophobicContact CE2-CD2 3.99Å; Y231-L271 HydrophobicContact CG-CD2 4Å; F232-L271 HydrophobicContact CE1-CD1 3.71Å; F232-L271 HydrophobicContact CE2-CD1 4.06Å; F232-L271 HydrophobicContact CZ-CD1 3.42Å; F232-L271 VanDerWaalsContact CZ-CD1 3.42Å; P267-L271 HydrophobicContact CG-CD2 3.77Å; Y268-L271 HydrophobicContact CD2-CB 3.93Å; Y268-L271 HydrophobicContact CE1-CB 4.34Å; Y268-L271 HydrophobicContact CE2-CB 3.55Å; Y268-L271 VanDerWaalsContact CE2-N 3.34Å; Y268-L271 HydrophobicContact CG-CB 4.47Å; Y268-L271 WeakPolarHBondContact O-CB 3.27Å; Y268-L271 PolarHBondContact O-N 3.14Å; Y268-L271 VanDerWaalsContact O-N 3.08Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 2.79Å; L271-K274 WeakPolarHBondContact O-CB 3.42Å; L271-K274 PolarHBondContact O-N 2.7Å; L271-S275 WeakPolarHBondContact O-CB 3.35Å; L271-S275 PolarHBondContact O-N 2.63Å; L271-S275 PolarHBondContact O-OG 3.35Å |
| 272 | V | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.5 | -41.1 | 179.2 | 178 | 0 | 0 | 0 | 0 | 111.4 | F264 T266 S269 K270 K274 S275 L276 F333 T337 L341 | F264-V272 HydrophobicContact CB-CG1 3.95Å; F264-V272 HydrophobicContact CB-CG2 4.03Å; F264-V272 HydrophobicContact CD2-CG1 3.56Å; F264-V272 HydrophobicContact CE2-CG1 4.34Å; F264-V272 HydrophobicContact CG-CG1 4.03Å; T266-V272 HydrophobicContact CG2-CG2 3.7Å; T266-V272 WeakPolarHBondContact OG1-CG2 3.11Å; S269-V272 PolarHBondContact O-N 2.69Å; K270-V272 VanDerWaalsContact C-N 3.29Å; K270-V272 PolarHBondContact O-N 2.77Å; V272-K274 VanDerWaalsContact C-N 3.3Å; V272-K274 PolarHBondContact O-N 3.37Å; V272-S275 WeakPolarHBondContact O-CB 3.18Å; V272-S275 PolarHBondContact O-N 3.17Å; V272-S275 VanDerWaalsContact O-N 3.07Å; V272-L276 PolarHBondContact O-N 3.49Å; V272-F333 HydrophobicContact CG1-CE2 4.36Å; V272-T337 HydrophobicContact CG1-CG2 3.39Å; V272-L341 HydrophobicContact CB-CD1 4.45Å; V272-L341 HydrophobicContact CB-CD2 4.1Å; V272-L341 HydrophobicContact CG1-CD1 4.37Å; V272-L341 HydrophobicContact CG1-CD2 4.04Å; V272-L341 HydrophobicContact CG2-CD2 4.04Å |
| 273 | Q | 94.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 16.2 Ų | 16.2 | 16% | 0.159 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 173.6 | -165 | -174.6 | 25 | 0 | 0 | 111.8 | S269 K270 S275 A277 L326 F333 | S269-Q273 PolarHBondContact O-N 2.76Å; S269-Q273 VanDerWaalsContact O-N 3.11Å; K270-Q273 PolarHBondContact O-N 3.37Å; Q273-S275 VanDerWaalsContact C-N 3.32Å; Q273-A277 PolarHBondContact O-N 2.94Å; Q273-L326 HydrophobicContact CB-CD2 4.36Å; Q273-L326 HydrophobicContact CG-CD2 3.77Å; Q273-F333 VanDerWaalsContact CA-CE2 3.49Å; Q273-F333 HydrophobicContact CB-CD2 4.2Å; Q273-F333 HydrophobicContact CB-CE1 4.45Å; Q273-F333 HydrophobicContact CB-CE2 3.77Å; Q273-F333 HydrophobicContact CB-CZ 3.89Å; Q273-F333 HydrophobicContact CG-CD1 4.15Å; Q273-F333 HydrophobicContact CG-CD2 4.01Å; Q273-F333 HydrophobicContact CG-CE1 4.14Å; Q273-F333 HydrophobicContact CG-CE2 4.01Å; Q273-F333 HydrophobicContact CG-CG 4.06Å; Q273-F333 HydrophobicContact CG-CZ 4.05Å |
| 274 | K | 95.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 15.3 Ų | 15.3 | 22% | 0.217 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 174.3 | -68.5 | 178.1 | 170.5 | -133.5 | 0 | 112.5 | F232 K270 L271 V272 A277 R278 E322 L326 | F232-K274 HydrophobicContact CE1-CB 4.1Å; F232-K274 HydrophobicContact CZ-CB 3.87Å; F232-K274 HydrophobicContact CZ-CD 4.08Å; K270-K274 WeakPolarHBondContact O-CG 3.3Å; K270-K274 PolarHBondContact O-N 2.98Å; K270-K274 VanDerWaalsContact O-N 3.16Å; L271-K274 WeakPolarHBondContact O-CB 3.42Å; L271-K274 PolarHBondContact O-N 2.7Å; V272-K274 VanDerWaalsContact C-N 3.3Å; V272-K274 PolarHBondContact O-N 3.37Å; K274-A277 PolarHBondContact O-N 2.99Å; K274-R278 WeakPolarHBondContact O-CG 3.43Å; K274-R278 PolarHBondContact O-N 3.47Å; K274-E322 WeakPolarHBondContact CD-OE1 3.23Å; K274-E322 VanDerWaalsContact CE-OE1 3.31Å; K274-E322 WeakPolarHBondContact CE-OE1 3.29Å; K274-E322 IonicContact NZ-OE1 2.69Å; K274-E322 PolarHBondContact NZ-OE1 3.21Å; K274-E322 IonicContact NZ-OE2 3.09Å; K274-E322 PolarHBondContact NZ-OE2 2.73Å; K274-L326 HydrophobicContact CG-CD1 4.47Å; K274-L326 HydrophobicContact CG-CD2 4.14Å |
| 275 | S | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | Y231 L271 V272 Q273 R278 L279 | Y231-S275 VanDerWaalsContact CE1-OG 3.27Å; Y231-S275 WeakPolarHBondContact CE1-OG 3.46Å; Y231-S275 PolarHBondContact OH-OG 3.17Å; L271-S275 WeakPolarHBondContact O-CB 3.35Å; L271-S275 PolarHBondContact O-N 2.63Å; L271-S275 PolarHBondContact O-OG 3.35Å; V272-S275 WeakPolarHBondContact O-CB 3.18Å; V272-S275 PolarHBondContact O-N 3.17Å; V272-S275 VanDerWaalsContact O-N 3.07Å; Q273-S275 VanDerWaalsContact C-N 3.32Å; S275-R278 WeakPolarHBondContact O-CB 3.24Å; S275-R278 PolarHBondContact O-N 3.31Å; S275-L279 WeakPolarHBondContact O-CG 3.41Å; S275-L279 PolarHBondContact O-N 3.46Å; S275-L279 VanDerWaalsContact O-N 3.11Å |
| 276 | L | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 176.4 | -175.7 | 68.1 | 0 | 0 | 0 | 111.9 | V256 I262 F264 V272 R278 L279 V280 T332 F333 | V256-L276 HydrophobicContact CG1-CD1 4.26Å; I262-L276 HydrophobicContact CB-CD1 4.44Å; I262-L276 HydrophobicContact CD1-CD1 3.72Å; I262-L276 HydrophobicContact CG2-CD1 4.49Å; F264-L276 HydrophobicContact CE2-CB 4.19Å; F264-L276 HydrophobicContact CE2-CD1 4.45Å; F264-L276 HydrophobicContact CZ-CB 4.27Å; F264-L276 HydrophobicContact CZ-CD1 4.42Å; V272-L276 PolarHBondContact O-N 3.49Å; L276-R278 PolarHBondContact O-N 2.66Å; L276-L279 PolarHBondContact O-N 3.3Å; L276-L279 VanDerWaalsContact O-N 3.09Å; L276-V280 WeakPolarHBondContact O-CG2 3.25Å; L276-V280 PolarHBondContact O-N 3.06Å; L276-T332 HydrophobicContact CD2-CG2 4.28Å; L276-F333 HydrophobicContact CD2-CB 3.71Å; L276-F333 HydrophobicContact CD2-CD2 4.15Å; L276-F333 HydrophobicContact CD2-CG 4.44Å |
| 277 | A | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q273 K274 V280 Y281 M325 L326 S329 | Q273-A277 PolarHBondContact O-N 2.94Å; K274-A277 PolarHBondContact O-N 2.99Å; A277-V280 PolarHBondContact O-N 2.82Å; A277-Y281 PolarHBondContact O-N 3.42Å; A277-M325 HydrophobicContact CB-CB 4.22Å; A277-L326 HydrophobicContact CB-CD2 4.04Å; A277-L326 HydrophobicContact CB-CG 4.39Å; A277-S329 WeakPolarHBondContact CB-OG 3.26Å |
| 278 | R | 94.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 173.3 | -78.3 | 175.1 | 174.9 | -101.4 | 2.1 | 113.2 | F232 L235 D236 K274 S275 L276 Y281 T282 L315 | F232-R278 VanDerWaalsContact CD2-NH2 3.27Å; F232-R278 VanDerWaalsContact CG-NE 3.34Å; L235-R278 HydrophobicContact CD2-CB 4.41Å; D236-R278 IonicContact OD2-NH1 3.5Å; D236-R278 PolarHBondContact OD2-NH1 2.82Å; K274-R278 WeakPolarHBondContact O-CG 3.43Å; K274-R278 PolarHBondContact O-N 3.47Å; S275-R278 WeakPolarHBondContact O-CB 3.24Å; S275-R278 PolarHBondContact O-N 3.31Å; L276-R278 PolarHBondContact O-N 2.66Å; R278-Y281 PolarHBondContact O-N 2.99Å; R278-T282 WeakPolarHBondContact O-CB 3.21Å; R278-T282 PolarHBondContact O-N 2.7Å; R278-T282 PolarHBondContact O-OG1 3.17Å; R278-L315 HydrophobicContact CB-CD1 4.21Å; R278-L315 HydrophobicContact CG-CD1 3.56Å |
| 279 | L | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.9 | -60.1 | -163.6 | 0 | 0 | 0 | 111.6 | L235 Y239 V256 I262 F264 S275 L276 Y281 T282 D283 L362 | L235-L279 HydrophobicContact CD1-CD2 4.08Å; L235-L279 HydrophobicContact CD2-CD2 4.28Å; L235-L279 HydrophobicContact CG-CD2 4.04Å; Y239-L279 HydrophobicContact CD1-CD2 3.75Å; Y239-L279 HydrophobicContact CD2-CD1 4.02Å; Y239-L279 HydrophobicContact CD2-CD2 3.91Å; Y239-L279 HydrophobicContact CD2-CG 4.5Å; Y239-L279 HydrophobicContact CE1-CB 4.33Å; Y239-L279 HydrophobicContact CE1-CD2 4.3Å; Y239-L279 HydrophobicContact CE2-CD1 4.04Å; Y239-L279 HydrophobicContact CE2-CD2 4.45Å; Y239-L279 HydrophobicContact CG-CD1 4.48Å; Y239-L279 HydrophobicContact CG-CD2 3.52Å; Y239-L279 HydrophobicContact CG-CG 4.49Å; V256-L279 HydrophobicContact CG2-CB 3.67Å; I262-L279 HydrophobicContact CG2-CD1 4.27Å; F264-L279 HydrophobicContact CE1-CD1 3.95Å; F264-L279 HydrophobicContact CE1-CG 4.34Å; F264-L279 HydrophobicContact CZ-CD1 3.72Å; F264-L279 HydrophobicContact CZ-CG 4.23Å; S275-L279 WeakPolarHBondContact O-CG 3.41Å; S275-L279 PolarHBondContact O-N 3.46Å; S275-L279 VanDerWaalsContact O-N 3.11Å; L276-L279 PolarHBondContact O-N 3.3Å; L276-L279 VanDerWaalsContact O-N 3.09Å; L279-Y281 VanDerWaalsContact C-N 3.33Å; L279-Y281 PolarHBondContact O-N 2.92Å; L279-T282 PolarHBondContact O-N 2.98Å; L279-D283 PolarHBondContact O-N 3.03Å; L279-L362 HydrophobicContact CD1-CD2 4.31Å |
| 280 | V | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | V256 L276 A277 T282 D283 L284 L290 L293 I294 M325 | V256-V280 HydrophobicContact CG1-CG2 4.35Å; V256-V280 HydrophobicContact CG2-CG2 4.37Å; L276-V280 WeakPolarHBondContact O-CG2 3.25Å; L276-V280 PolarHBondContact O-N 3.06Å; A277-V280 PolarHBondContact O-N 2.82Å; V280-T282 PolarHBondContact O-N 2.97Å; V280-D283 PolarHBondContact O-N 2.74Å; V280-L284 WeakPolarHBondContact O-CG 3.3Å; V280-L284 PolarHBondContact O-N 2.72Å; V280-L290 HydrophobicContact CG1-CD1 4.47Å; V280-L293 HydrophobicContact CG1-CB 4.28Å; V280-L293 HydrophobicContact CG1-CD1 4.24Å; V280-I294 HydrophobicContact CG1-CG2 4.34Å; V280-M325 HydrophobicContact CB-CE 4.26Å; V280-M325 HydrophobicContact CG1-CE 3.87Å |
| 281 | Y | 91.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 177.4 | -176.8 | -114.3 | 0 | 0 | 0 | 112.7 | A277 R278 L279 D283 L284 L285 E314 L315 L321 M325 | A277-Y281 PolarHBondContact O-N 3.42Å; R278-Y281 PolarHBondContact O-N 2.99Å; L279-Y281 VanDerWaalsContact C-N 3.33Å; L279-Y281 PolarHBondContact O-N 2.92Å; Y281-D283 VanDerWaalsContact C-N 3.31Å; Y281-D283 PolarHBondContact O-N 2.94Å; Y281-L284 WeakPolarHBondContact O-CB 3.4Å; Y281-L284 PolarHBondContact O-N 2.92Å; Y281-L285 HydrophobicContact CD1-CD1 4.04Å; Y281-L285 HydrophobicContact CD1-CG 4.46Å; Y281-L285 HydrophobicContact CE1-CD1 3.57Å; Y281-L285 HydrophobicContact CE1-CG 4.11Å; Y281-L285 HydrophobicContact CE2-CD2 4.44Å; Y281-L285 HydrophobicContact CE2-CG 4.46Å; Y281-L285 WeakPolarHBondContact O-CG 3.45Å; Y281-L285 PolarHBondContact O-N 2.9Å; Y281-E314 PolarHBondContact OH-OE2 2.83Å; Y281-L315 HydrophobicContact CD1-CD1 3.5Å; Y281-L315 VanDerWaalsContact CD1-CD1 3.5Å; Y281-L315 HydrophobicContact CD1-CG 3.85Å; Y281-L315 HydrophobicContact CE1-CD1 4.33Å; Y281-L315 HydrophobicContact CE1-CG 4.21Å; Y281-L315 HydrophobicContact CG-CD1 3.76Å; Y281-L315 HydrophobicContact CG-CG 4.24Å; Y281-L321 HydrophobicContact CE2-CD1 4.45Å; Y281-L321 HydrophobicContact CE2-CD2 4.14Å; Y281-M325 HydrophobicContact CD2-CE 4.45Å; Y281-M325 HydrophobicContact CD2-CG 4.23Å; Y281-M325 HydrophobicContact CD2-SD 4Å |
| 282 | T | 92.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | Y239 R278 L279 V280 L285 R286 P312 | Y239-T282 HydrophobicContact CD1-CG2 3.9Å; Y239-T282 HydrophobicContact CE1-CG2 4.28Å; R278-T282 WeakPolarHBondContact O-CB 3.21Å; R278-T282 PolarHBondContact O-N 2.7Å; R278-T282 PolarHBondContact O-OG1 3.17Å; L279-T282 PolarHBondContact O-N 2.98Å; V280-T282 PolarHBondContact O-N 2.97Å; T282-L285 PolarHBondContact O-N 3.03Å; T282-R286 VanDerWaalsContact O-CG 3.3Å; T282-R286 WeakPolarHBondContact O-CG 3.38Å; T282-R286 PolarHBondContact O-N 3.27Å; T282-R286 VanDerWaalsContact O-N 3.08Å; T282-P312 HydrophobicContact CG2-CG 4.17Å; T282-P312 WeakPolarHBondContact OG1-CG 3.44Å |
| 283 | D | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 175.4 | -80.1 | -16.8 | 0 | 0 | 0 | 113.2 | Y239 N255 V256 L279 V280 Y281 L285 R286 G287 V288 L293 | Y239-D283 WeakPolarHBondContact CE1-OD1 3.23Å; Y239-D283 PolarHBondContact OH-OD1 3.36Å; Y239-D283 PolarHBondContact OH-OD2 3.14Å; N255-D283 WeakPolarHBondContact CA-OD2 3.27Å; N255-D283 WeakPolarHBondContact CB-OD2 3.26Å; V256-D283 WeakPolarHBondContact CG2-OD2 3.38Å; V256-D283 PolarHBondContact N-OD2 3.16Å; L279-D283 PolarHBondContact O-N 3.03Å; V280-D283 PolarHBondContact O-N 2.74Å; Y281-D283 VanDerWaalsContact C-N 3.31Å; Y281-D283 PolarHBondContact O-N 2.94Å; D283-L285 VanDerWaalsContact C-N 3.34Å; D283-R286 CarbonylContact O-C 3.37Å; D283-R286 WeakPolarHBondContact O-CB 3.46Å; D283-R286 PolarHBondContact O-N 2.79Å; D283-R286 VanDerWaalsContact O-N 3.16Å; D283-R286 IonicContact OD1-CZ 2.57Å; D283-R286 IonicContact OD1-NE 2.71Å; D283-R286 IonicContact OD1-NH1 3.17Å; D283-R286 PolarHBondContact OD1-NH1 3.17Å; D283-G287 PolarHBondContact O-N 3.35Å; D283-V288 HydrophobicContact CB-CB 4.17Å; D283-V288 HydrophobicContact CB-CG2 4.15Å; D283-V288 WeakPolarHBondContact O-CB 3.21Å; D283-V288 WeakPolarHBondContact O-CG2 3.48Å; D283-V288 PolarHBondContact O-N 3.27Å; D283-L293 HydrophobicContact CB-CD1 3.65Å; D283-L293 HydrophobicContact CB-CD2 3.74Å; D283-L293 HydrophobicContact CB-CG 4.36Å |
| 284 | L | 89.5 | Confident | 90.1 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.099 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 171.4 | -68.3 | 179.2 | 0 | 0 | 0 | 111.6 | V280 Y281 R286 G287 V288 L290 L293 F302 M325 | V280-L284 WeakPolarHBondContact O-CG 3.3Å; V280-L284 PolarHBondContact O-N 2.72Å; Y281-L284 WeakPolarHBondContact O-CB 3.4Å; Y281-L284 PolarHBondContact O-N 2.92Å; L284-R286 PolarHBondContact O-N 2.88Å; L284-G287 PolarHBondContact O-N 3.05Å; L284-V288 WeakPolarHBondContact CD2-O 3.37Å; L284-L290 HydrophobicContact CD1-CD1 4.12Å; L284-L290 HydrophobicContact CD2-CB 3.86Å; L284-L290 HydrophobicContact CD2-CD1 3.94Å; L284-L290 HydrophobicContact CD2-CG 4.49Å; L284-L290 HydrophobicContact CG-CD1 4.46Å; L284-L293 HydrophobicContact CD2-CD1 3.67Å; L284-L293 HydrophobicContact CG-CD1 3.96Å; L284-F302 HydrophobicContact CB-CE1 4.46Å; L284-F302 HydrophobicContact CD1-CE1 4.23Å; L284-F302 HydrophobicContact CD1-CZ 4.35Å; L284-F302 HydrophobicContact CD2-CE1 4.16Å; L284-F302 HydrophobicContact CD2-CZ 3.77Å; L284-M325 HydrophobicContact CD1-CE 3.96Å; L284-M325 HydrophobicContact CD1-SD 4.43Å |
| 285 | L | 88.5 | Confident | 89 | Confident | 44 Ų | 44 | 28.8 Ų | 28.8 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -28.5 | 175.7 | -68.3 | 179.5 | 0 | 0 | 0 | 112.7 | Y281 T282 D283 G287 P312 | Y281-L285 HydrophobicContact CD1-CD1 4.04Å; Y281-L285 HydrophobicContact CD1-CG 4.46Å; Y281-L285 HydrophobicContact CE1-CD1 3.57Å; Y281-L285 HydrophobicContact CE1-CG 4.11Å; Y281-L285 HydrophobicContact CE2-CD2 4.44Å; Y281-L285 HydrophobicContact CE2-CG 4.46Å; Y281-L285 WeakPolarHBondContact O-CG 3.45Å; Y281-L285 PolarHBondContact O-N 2.9Å; T282-L285 PolarHBondContact O-N 3.03Å; D283-L285 VanDerWaalsContact C-N 3.34Å; L285-G287 PolarHBondContact O-N 2.9Å; L285-P312 HydrophobicContact CD1-CG 4.33Å |
| 286 | R | 89.6 | Confident | 87.6 | Confident | 95 Ų | 95 | 30.1 Ų | 30.1 | 36% | 0.358 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -4.9 | 172.9 | -69.2 | 167.4 | 58.8 | -158.9 | -2.2 | 113.3 | C243 S254 T282 D283 L284 | C243-R286 PolarHBondContact SG-NH1 2.96Å; S254-R286 PolarHBondContact O-NH1 2.63Å; S254-R286 PolarHBondContact O-NH2 3.25Å; T282-R286 VanDerWaalsContact O-CG 3.3Å; T282-R286 WeakPolarHBondContact O-CG 3.38Å; T282-R286 PolarHBondContact O-N 3.27Å; T282-R286 VanDerWaalsContact O-N 3.08Å; D283-R286 CarbonylContact O-C 3.37Å; D283-R286 WeakPolarHBondContact O-CB 3.46Å; D283-R286 PolarHBondContact O-N 2.79Å; D283-R286 VanDerWaalsContact O-N 3.16Å; D283-R286 IonicContact OD1-CZ 2.57Å; D283-R286 IonicContact OD1-NE 2.71Å; D283-R286 IonicContact OD1-NH1 3.17Å; D283-R286 PolarHBondContact OD1-NH1 3.17Å; L284-R286 PolarHBondContact O-N 2.88Å |
| 287 | G | 87.8 | Confident | 86 | Confident | 61 Ų | 61 | 36.1 Ų | 36.1 | 63% | 0.629 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 12.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D283 L284 L285 | D283-G287 PolarHBondContact O-N 3.35Å; L284-G287 PolarHBondContact O-N 3.05Å; L285-G287 PolarHBondContact O-N 2.9Å |
| 288 | V | 89.1 | Confident | 84.3 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | trans | -73 | 127.2 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | N255 D283 L284 L290 S292 L293 | N255-V288 HydrophobicContact CB-CG1 4.42Å; N255-V288 HydrophobicContact CB-CG2 4.29Å; D283-V288 HydrophobicContact CB-CB 4.17Å; D283-V288 HydrophobicContact CB-CG2 4.15Å; D283-V288 WeakPolarHBondContact O-CB 3.21Å; D283-V288 WeakPolarHBondContact O-CG2 3.48Å; D283-V288 PolarHBondContact O-N 3.27Å; L284-V288 WeakPolarHBondContact CD2-O 3.37Å; V288-L290 PolarHBondContact O-N 2.95Å; V288-S292 WeakPolarHBondContact CG1-OG 3.43Å; V288-L293 HydrophobicContact CB-CD1 4.23Å; V288-L293 HydrophobicContact CB-CD2 4.26Å; V288-L293 HydrophobicContact CB-CG 4.39Å; V288-L293 HydrophobicContact CG1-CD1 4.2Å; V288-L293 HydrophobicContact CG1-CD2 3.61Å; V288-L293 HydrophobicContact CG1-CG 3.82Å | ||
| 289 | P | 86.5 | Confident | 82.7 | Confident | 81 Ų | 81 | 45.1 Ų | 45.1 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | trans | -60.4 | 134.4 | -179.1 | -23.6 | 33.2 | 0 | 0 | 0 | 111.8 | S291 S292 | P289-S291 PolarHBondContact O-N 3.2Å; P289-S291 VanDerWaalsContact O-N 3.16Å; P289-S292 WeakPolarHBondContact O-CB 3.39Å; P289-S292 PolarHBondContact O-N 2.82Å; P289-S292 PolarHBondContact O-OG 3.32Å | ||
| 290 | L | 85.6 | Confident | 81.1 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -54.6 | -39.5 | -178.6 | -178.2 | 61.6 | 0 | 0 | 0 | 112.8 | V280 L284 V288 S292 L293 I294 F300 F302 I328 | V280-L290 HydrophobicContact CG1-CD1 4.47Å; L284-L290 HydrophobicContact CD1-CD1 4.12Å; L284-L290 HydrophobicContact CD2-CB 3.86Å; L284-L290 HydrophobicContact CD2-CD1 3.94Å; L284-L290 HydrophobicContact CD2-CG 4.49Å; L284-L290 HydrophobicContact CG-CD1 4.46Å; V288-L290 PolarHBondContact O-N 2.95Å; L290-S292 PolarHBondContact O-N 3.43Å; L290-L293 PolarHBondContact O-N 3.11Å; L290-I294 HydrophobicContact CD1-CD1 3.89Å; L290-I294 HydrophobicContact CD1-CG1 4.29Å; L290-I294 HydrophobicContact CD1-CG2 3.8Å; L290-I294 HydrophobicContact CD2-CD1 3.99Å; L290-I294 HydrophobicContact CG-CD1 3.68Å; L290-I294 HydrophobicContact CG-CG1 4.2Å; L290-I294 PolarHBondContact O-N 2.99Å; L290-F300 HydrophobicContact CD2-CB 3.28Å; L290-F300 HydrophobicContact CD2-CG 4.2Å; L290-F302 HydrophobicContact CB-CE2 4.3Å; L290-F302 HydrophobicContact CB-CZ 4.14Å; L290-I328 HydrophobicContact CD1-CG2 3.76Å; L290-I328 HydrophobicContact CD2-CG2 4.37Å |
| 291 | S | 84 | Confident | 79.6 | Confident | 107 Ų | 107 | 50 Ų | 50 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58.8 | -17.8 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | P289 | P289-S291 PolarHBondContact O-N 3.2Å; P289-S291 VanDerWaalsContact O-N 3.16Å |
| 292 | S | 84.3 | Confident | 78.1 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -95.4 | -10.6 | 176.3 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | S257 V288 P289 L290 | S257-S292 WeakPolarHBondContact CB-O 3.39Å; S257-S292 PolarHBondContact OG-O 3.44Å; V288-S292 WeakPolarHBondContact CG1-OG 3.43Å; P289-S292 WeakPolarHBondContact O-CB 3.39Å; P289-S292 PolarHBondContact O-N 2.82Å; P289-S292 PolarHBondContact O-OG 3.32Å; L290-S292 PolarHBondContact O-N 3.43Å |
| 293 | L | 84.6 | Confident | 76.6 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -24.4 | -176.6 | -62.6 | 174.7 | 0 | 0 | 0 | 113 | N255 V256 V280 D283 L284 V288 L290 T332 | N255-L293 HydrophobicContact CB-CD2 4.11Å; V256-L293 HydrophobicContact CB-CD2 4.23Å; V280-L293 HydrophobicContact CG1-CB 4.28Å; V280-L293 HydrophobicContact CG1-CD1 4.24Å; D283-L293 HydrophobicContact CB-CD1 3.65Å; D283-L293 HydrophobicContact CB-CD2 3.74Å; D283-L293 HydrophobicContact CB-CG 4.36Å; L284-L293 HydrophobicContact CD2-CD1 3.67Å; L284-L293 HydrophobicContact CG-CD1 3.96Å; V288-L293 HydrophobicContact CB-CD1 4.23Å; V288-L293 HydrophobicContact CB-CD2 4.26Å; V288-L293 HydrophobicContact CB-CG 4.39Å; V288-L293 HydrophobicContact CG1-CD1 4.2Å; V288-L293 HydrophobicContact CG1-CD2 3.61Å; V288-L293 HydrophobicContact CG1-CG 3.82Å; L290-L293 PolarHBondContact O-N 3.11Å; L293-T332 PolarHBondContact O-OG1 3.34Å |
| 294 | I | 81.1 | Confident | 74.8 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 6% | 0.056 | 40% | 0.397 | C | S | . | . | trans | -119.1 | 143.6 | -175.1 | 70.3 | -179.1 | 0 | 0 | 0 | 112.2 | V280 L290 S296 A298 I328 T332 | V280-I294 HydrophobicContact CG1-CG2 4.34Å; L290-I294 HydrophobicContact CD1-CD1 3.89Å; L290-I294 HydrophobicContact CD1-CG1 4.29Å; L290-I294 HydrophobicContact CD1-CG2 3.8Å; L290-I294 HydrophobicContact CD2-CD1 3.99Å; L290-I294 HydrophobicContact CG-CD1 3.68Å; L290-I294 HydrophobicContact CG-CG1 4.2Å; L290-I294 PolarHBondContact O-N 2.99Å; I294-S296 VanDerWaalsContact CD1-OG 3.3Å; I294-S296 WeakPolarHBondContact CD1-OG 3.34Å; I294-S296 PolarHBondContact O-N 3.04Å; I294-A298 HydrophobicContact CD1-CB 4.48Å; I294-I328 HydrophobicContact CD1-CG2 4.06Å; I294-I328 HydrophobicContact CG2-CG2 3.84Å; I294-T332 WeakPolarHBondContact CA-OG1 3.31Å | ||
| 295 | D | 71.6 | Confident | 73.3 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -80.2 | 2.6 | 175.9 | -61.4 | -28.6 | 0 | 0 | 0 | 112.4 | Q331 S335 | D295-Q331 HydrophobicContact CB-CB 4.33Å; D295-Q331 PolarHBondContact O-OE1 3.29Å; D295-S335 PolarHBondContact OD2-OG 3.14Å |
| 296 | S | 67.1 | Low | 71.4 | Confident | 28 Ų | 28 | 70.9 Ų | 70.9 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -105.2 | 152.2 | -170.5 | 89.5 | 0 | 0 | 0 | 0 | 114.1 | I294 A298 | I294-S296 VanDerWaalsContact CD1-OG 3.3Å; I294-S296 WeakPolarHBondContact CD1-OG 3.34Å; I294-S296 PolarHBondContact O-N 3.04Å; S296-A298 PolarHBondContact O-N 2.94Å; S296-A298 VanDerWaalsContact OG-CB 3.23Å; S296-A298 WeakPolarHBondContact OG-CB 3.49Å; S296-A298 PolarHBondContact OG-N 3.43Å |
| 297 | S | 60.9 | Low | 69.6 | Low | 126 Ų | 126 | 69 Ų | 69 | 88% | 0.881 | 43% | 0.43 | S | S | * | . | trans | -77.9 | 11.7 | 169.7 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | T299 | S297-T299 PolarHBondContact O-N 3.48Š| ||
| 298 | A | 60 | Low | 67.8 | Low | 50 Ų | 50 | 76 Ų | 76 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | trans | -64.1 | 122.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I294 S296 | I294-A298 HydrophobicContact CD1-CB 4.48Å; S296-A298 PolarHBondContact O-N 2.94Å; S296-A298 VanDerWaalsContact OG-CB 3.23Å; S296-A298 WeakPolarHBondContact OG-CB 3.49Å; S296-A298 PolarHBondContact OG-N 3.43Å | ||
| 299 | T | 59.6 | Low | 66.1 | Low | 146 Ų | 146 | 77.7 Ų | 77.7 | 90% | 0.896 | 46% | 0.459 | S | S | * | . | trans | -82.3 | 123.6 | 169.5 | 44.6 | 0 | 0 | 0 | 0 | 108.9 | S297 | S297-T299 PolarHBondContact O-N 3.48Š| ||
| 300 | F | 62.1 | Low | 65.1 | Low | 21 Ų | 21 | 82.4 Ų | 82.4 | 9% | 0.092 | 47% | 0.471 | C | S | . | . | trans | -107.4 | 116.3 | 170.4 | -174.9 | -98.5 | 0 | 0 | 0 | 108.6 | L290 F302 L305 K324 I328 | L290-F300 HydrophobicContact CD2-CB 3.28Å; L290-F300 HydrophobicContact CD2-CG 4.2Å; F300-F302 HydrophobicContact CD1-CD1 4.02Å; F300-F302 HydrophobicContact CD1-CD2 4.01Å; F300-F302 HydrophobicContact CD1-CE1 4.08Å; F300-F302 HydrophobicContact CD1-CE2 4.07Å; F300-F302 AromaticContact CD1-CG 3.98Å; F300-F302 HydrophobicContact CD1-CG 3.98Å; F300-F302 HydrophobicContact CD1-CZ 4.1Å; F300-F302 AromaticContact CE1-CD1 3.96Å; F300-F302 HydrophobicContact CE1-CD1 3.96Å; F300-F302 HydrophobicContact CE1-CE1 4.18Å; F300-F302 HydrophobicContact CE1-CG 4.23Å; F300-F302 PolarHBondContact O-N 2.85Å; F300-L305 HydrophobicContact CE1-CD1 3.54Å; F300-L305 HydrophobicContact CE1-CG 3.91Å; F300-L305 HydrophobicContact CZ-CD1 3.79Å; F300-L305 HydrophobicContact CZ-CD2 4.27Å; F300-L305 HydrophobicContact CZ-CG 3.86Å; F300-K324 HydrophobicContact CD2-CD 4.24Å; F300-K324 HydrophobicContact CD2-CG 4.48Å; F300-K324 HydrophobicContact CE2-CD 3.5Å; F300-K324 HydrophobicContact CE2-CG 3.92Å; F300-K324 VanDerWaalsContact CE2-NZ 3.3Å; F300-K324 HydrophobicContact CZ-CD 4.36Å; F300-I328 HydrophobicContact CB-CD1 4.48Å; F300-I328 HydrophobicContact CD2-CD1 3.15Å; F300-I328 HydrophobicContact CD2-CG1 4.19Å; F300-I328 HydrophobicContact CE2-CD1 3.38Å; F300-I328 HydrophobicContact CG-CD1 4.01Å; F300-I328 HydrophobicContact CZ-CD1 4.45Å | ||
| 301 | D | 62.3 | Low | 64.7 | Low | 82 Ų | 82 | 85 Ų | 85 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | trans | -76.7 | 108.6 | 170.5 | -166.5 | -13.3 | 0 | 0 | 0 | 109.4 | T303 E304 | D301-T303 PolarHBondContact O-N 2.91Å; D301-T303 VanDerWaalsContact OD1-CB 3.32Å; D301-T303 WeakPolarHBondContact OD1-CB 3.45Å; D301-T303 WeakPolarHBondContact OD1-CG2 3.5Å; D301-T303 PolarHBondContact OD1-N 3.04Å; D301-T303 PolarHBondContact OD1-OG1 2.77Å; D301-T303 PolarHBondContact OD2-OG1 3.25Å; D301-E304 HydrophobicContact CB-CG 4.47Å; D301-E304 PolarHBondContact O-N 2.76Å | ||
| 302 | F | 60.4 | Low | 64.5 | Low | 95 Ų | 95 | 80.6 Ų | 80.6 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -66.9 | -17.1 | 175.2 | -75.5 | -88.3 | 0 | 0 | 0 | 112.5 | L284 L290 F300 E304 L305 | L284-F302 HydrophobicContact CB-CE1 4.46Å; L284-F302 HydrophobicContact CD1-CE1 4.23Å; L284-F302 HydrophobicContact CD1-CZ 4.35Å; L284-F302 HydrophobicContact CD2-CE1 4.16Å; L284-F302 HydrophobicContact CD2-CZ 3.77Å; L290-F302 HydrophobicContact CB-CE2 4.3Å; L290-F302 HydrophobicContact CB-CZ 4.14Å; F300-F302 HydrophobicContact CD1-CD1 4.02Å; F300-F302 HydrophobicContact CD1-CD2 4.01Å; F300-F302 HydrophobicContact CD1-CE1 4.08Å; F300-F302 HydrophobicContact CD1-CE2 4.07Å; F300-F302 AromaticContact CD1-CG 3.98Å; F300-F302 HydrophobicContact CD1-CG 3.98Å; F300-F302 HydrophobicContact CD1-CZ 4.1Å; F300-F302 AromaticContact CE1-CD1 3.96Å; F300-F302 HydrophobicContact CE1-CD1 3.96Å; F300-F302 HydrophobicContact CE1-CE1 4.18Å; F300-F302 HydrophobicContact CE1-CG 4.23Å; F300-F302 PolarHBondContact O-N 2.85Å; F302-E304 PolarHBondContact O-N 3.45Å; F302-L305 HydrophobicContact CD1-CD1 4.17Å; F302-L305 WeakPolarHBondContact O-CB 3.34Å; F302-L305 PolarHBondContact O-N 2.66Å; F302-L305 VanDerWaalsContact O-N 3.15Å |
| 303 | T | 60.2 | Low | 64.2 | Low | 116 Ų | 116 | 80.5 Ų | 80.5 | 71% | 0.712 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -70.5 | -18.8 | 178.7 | 66.2 | 0 | 0 | 0 | 0 | 113 | D301 L305 | D301-T303 PolarHBondContact O-N 2.91Å; D301-T303 VanDerWaalsContact OD1-CB 3.32Å; D301-T303 WeakPolarHBondContact OD1-CB 3.45Å; D301-T303 WeakPolarHBondContact OD1-CG2 3.5Å; D301-T303 PolarHBondContact OD1-N 3.04Å; D301-T303 PolarHBondContact OD1-OG1 2.77Å; D301-T303 PolarHBondContact OD2-OG1 3.25Å; T303-L305 VanDerWaalsContact C-N 3.26Å; T303-L305 PolarHBondContact O-N 3.16Å |
| 304 | E | 56.7 | Low | 63.9 | Low | 134 Ų | 134 | 82.6 Ų | 82.6 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -73.2 | -16.4 | 172.1 | -67.7 | -175.1 | 176.5 | 0 | 0 | 113.2 | D301 F302 S306 K324 | D301-E304 HydrophobicContact CB-CG 4.47Å; D301-E304 PolarHBondContact O-N 2.76Å; F302-E304 PolarHBondContact O-N 3.45Å; E304-S306 PolarHBondContact O-N 3.18Å; E304-K324 IonicContact OE2-NZ 3.15Å; E304-K324 PolarHBondContact OE2-NZ 2.86Å |
| 305 | L | 57.1 | Low | 63.9 | Low | 41 Ų | 41 | 82.2 Ų | 82.2 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | trans | -83.7 | 94.8 | 173.1 | -75.1 | 179.5 | 0 | 0 | 0 | 108.9 | F300 F302 T303 V307 L321 | F300-L305 HydrophobicContact CE1-CD1 3.54Å; F300-L305 HydrophobicContact CE1-CG 3.91Å; F300-L305 HydrophobicContact CZ-CD1 3.79Å; F300-L305 HydrophobicContact CZ-CD2 4.27Å; F300-L305 HydrophobicContact CZ-CG 3.86Å; F302-L305 HydrophobicContact CD1-CD1 4.17Å; F302-L305 WeakPolarHBondContact O-CB 3.34Å; F302-L305 PolarHBondContact O-N 2.66Å; F302-L305 VanDerWaalsContact O-N 3.15Å; T303-L305 VanDerWaalsContact C-N 3.26Å; T303-L305 PolarHBondContact O-N 3.16Å; L305-V307 HydrophobicContact CB-CB 4.31Å; L305-V307 HydrophobicContact CB-CG2 3.56Å; L305-V307 HydrophobicContact CD2-CG2 3.96Å; L305-V307 HydrophobicContact CG-CG2 4.21Å; L305-V307 PolarHBondContact O-N 3.27Å; L305-L321 HydrophobicContact CD2-CD1 3.53Å; L305-L321 HydrophobicContact CD2-CD2 4.47Å | ||
| 306 | S | 49.7 | Very low | 64.2 | Low | 121 Ų | 121 | 81.3 Ų | 81.3 | 85% | 0.846 | 45% | 0.454 | S | S | * | . | trans | -70.6 | 64.8 | 167.6 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | E304 | E304-S306 PolarHBondContact O-N 3.18Š| ||
| 307 | V | 51.3 | Low | 64.9 | Low | 55 Ų | 55 | 86.7 Ų | 86.7 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | trans | -105.5 | 96.1 | -165.1 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L305 S309 | L305-V307 HydrophobicContact CB-CB 4.31Å; L305-V307 HydrophobicContact CB-CG2 3.56Å; L305-V307 HydrophobicContact CD2-CG2 3.96Å; L305-V307 HydrophobicContact CG-CG2 4.21Å; L305-V307 PolarHBondContact O-N 3.27Å; V307-S309 VanDerWaalsContact C-N 3.34Å; V307-S309 WeakPolarHBondContact CG1-O 3.4Å | ||
| 308 | Q | 50.7 | Low | 66.1 | Low | 208 Ų | 208 | 84 Ų | 84 | 97% | 0.972 | 46% | 0.456 | S | S | * | . | trans | -82.5 | -10.6 | 166.8 | -72.4 | -175.9 | -6 | 0 | 0 | 112.4 | ||||
| 309 | S | 52.9 | Low | 67.4 | Low | 50 Ų | 50 | 89.8 Ų | 89.8 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | trans | -122.6 | 135.3 | -172.7 | 130.5 | 0 | 0 | 0 | 0 | 111.8 | V307 E314 | V307-S309 VanDerWaalsContact C-N 3.34Å; V307-S309 WeakPolarHBondContact CG1-O 3.4Å; S309-E314 WeakPolarHBondContact CB-OE1 3.37Å; S309-E314 PolarHBondContact OG-OE1 2.98Å | ||
| 310 | K | 64.9 | Low | 68.6 | Low | 179 Ų | 179 | 89.5 Ų | 89.5 | 78% | 0.778 | 46% | 0.464 | S | S | * | . | trans | -106.1 | 59.5 | -174.7 | -64.2 | -175.9 | 178.7 | -174.6 | 0 | 111.3 | ||||
| 311 | D | 78.2 | Confident | 69.8 | Low | 69 Ų | 69 | 89 Ų | 89 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | trans | -131.7 | 124.8 | -176.8 | -162.4 | -45.9 | 0 | 0 | 0 | 112.6 | S313 E314 | D311-S313 PolarHBondContact O-N 3.24Å; D311-S313 VanDerWaalsContact O-N 3.07Å; D311-S313 VanDerWaalsContact OD1-CB 3.31Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 3.02Å; D311-S313 PolarHBondContact OD1-OG 3.35Å; D311-E314 WeakPolarHBondContact O-CG 3.44Å; D311-E314 PolarHBondContact O-N 2.93Å; D311-E314 VanDerWaalsContact O-N 3.13Å | ||
| 312 | P | 78.3 | Confident | 71.2 | Confident | 16 Ų | 16 | 86.7 Ų | 86.7 | 10% | 0.104 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -22.8 | 173.8 | -27.7 | 36.4 | 0 | 0 | 0 | 115.5 | D236 T282 L285 E314 L315 | D236-P312 HydrophobicContact CB-CB 4.17Å; D236-P312 HydrophobicContact CB-CG 4.39Å; D236-P312 WeakPolarHBondContact OD2-CB 3.46Å; T282-P312 HydrophobicContact CG2-CG 4.17Å; T282-P312 WeakPolarHBondContact OG1-CG 3.44Å; L285-P312 HydrophobicContact CD1-CG 4.33Å; P312-E314 PolarHBondContact O-N 3.25Å; P312-E314 VanDerWaalsContact O-N 3.16Å; P312-L315 PolarHBondContact O-N 3.07Å |
| 313 | S | 78.6 | Confident | 72.6 | Confident | 45 Ų | 45 | 89.6 Ų | 89.6 | 32% | 0.315 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.9 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 114 | D311 L315 E316 | D311-S313 PolarHBondContact O-N 3.24Å; D311-S313 VanDerWaalsContact O-N 3.07Å; D311-S313 VanDerWaalsContact OD1-CB 3.31Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 3.02Å; D311-S313 PolarHBondContact OD1-OG 3.35Å; S313-L315 PolarHBondContact O-N 3.25Å; S313-E316 WeakPolarHBondContact O-CB 3.38Å; S313-E316 PolarHBondContact O-N 2.89Å; S313-E316 VanDerWaalsContact O-N 3.09Å |
| 314 | E | 77.5 | Confident | 73.9 | Confident | 45 Ų | 45 | 86.8 Ų | 86.8 | 21% | 0.21 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.7 | -33.3 | 172.5 | -72.9 | -171.6 | 176 | 0 | 0 | 113 | Y281 S309 D311 P312 E316 N317 D318 L321 | Y281-E314 PolarHBondContact OH-OE2 2.83Å; S309-E314 WeakPolarHBondContact CB-OE1 3.37Å; S309-E314 PolarHBondContact OG-OE1 2.98Å; D311-E314 WeakPolarHBondContact O-CG 3.44Å; D311-E314 PolarHBondContact O-N 2.93Å; D311-E314 VanDerWaalsContact O-N 3.13Å; P312-E314 PolarHBondContact O-N 3.25Å; P312-E314 VanDerWaalsContact O-N 3.16Å; E314-E316 PolarHBondContact O-N 2.83Å; E314-E316 VanDerWaalsContact O-N 3.14Å; E314-N317 PolarHBondContact O-N 2.85Å; E314-D318 PolarHBondContact O-N 3.21Å; E314-L321 HydrophobicContact CB-CD2 4.47Å |
| 315 | L | 82.3 | Confident | 75.5 | Confident | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.016 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.1 | -22.1 | 177.8 | -77.5 | 168.6 | 0 | 0 | 0 | 113.5 | R278 Y281 P312 S313 L321 E322 M325 | R278-L315 HydrophobicContact CB-CD1 4.21Å; R278-L315 HydrophobicContact CG-CD1 3.56Å; Y281-L315 HydrophobicContact CD1-CD1 3.5Å; Y281-L315 VanDerWaalsContact CD1-CD1 3.5Å; Y281-L315 HydrophobicContact CD1-CG 3.85Å; Y281-L315 HydrophobicContact CE1-CD1 4.33Å; Y281-L315 HydrophobicContact CE1-CG 4.21Å; Y281-L315 HydrophobicContact CG-CD1 3.76Å; Y281-L315 HydrophobicContact CG-CG 4.24Å; P312-L315 PolarHBondContact O-N 3.07Å; S313-L315 PolarHBondContact O-N 3.25Å; L315-L321 HydrophobicContact CD2-CB 4.49Å; L315-L321 HydrophobicContact CD2-CD2 4.2Å; L315-L321 HydrophobicContact CD2-CG 3.77Å; L315-E322 HydrophobicContact CD2-CB 4.31Å; L315-M325 HydrophobicContact CD2-CB 4.1Å; L315-M325 HydrophobicContact CD2-CG 3.72Å |
| 316 | E | 78.6 | Confident | 77.2 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 36% | 0.36 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -78.8 | -34.1 | 175.6 | -162.9 | 167.7 | 179.7 | 0 | 0 | 112 | S313 E314 | S313-E316 WeakPolarHBondContact O-CB 3.38Å; S313-E316 PolarHBondContact O-N 2.89Å; S313-E316 VanDerWaalsContact O-N 3.09Å; E314-E316 PolarHBondContact O-N 2.83Å; E314-E316 VanDerWaalsContact O-N 3.14Å |
| 317 | N | 80.8 | Confident | 79.1 | Confident | 141 Ų | 141 | 78.6 Ų | 78.6 | 75% | 0.754 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -90.4 | -25.5 | -175.8 | -64.3 | -42.6 | 0 | 0 | 0 | 112.8 | E314 | E314-N317 PolarHBondContact O-N 2.85Å |
| 318 | D | 86.8 | Confident | 80.9 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | trans | -112.1 | 98.3 | 180 | -170.9 | -19.2 | 0 | 0 | 0 | 111.9 | E314 I320 L321 E322 | E314-D318 PolarHBondContact O-N 3.21Å; D318-I320 VanDerWaalsContact C-N 3.27Å; D318-I320 PolarHBondContact O-N 3.04Å; D318-I320 WeakPolarHBondContact OD1-CA 3.39Å; D318-I320 WeakPolarHBondContact OD1-CB 3.36Å; D318-I320 PolarHBondContact OD1-N 3.32Å; D318-L321 HydrophobicContact CB-CB 3.79Å; D318-L321 VanDerWaalsContact CG-CB 3.46Å; D318-L321 PolarHBondContact O-N 3.12Å; D318-L321 PolarHBondContact OD1-N 3.47Å; D318-E322 PolarHBondContact O-N 3.07Å | ||
| 319 | K | 85.9 | Confident | 82.9 | Confident | 173 Ų | 173 | 66.6 Ų | 66.6 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.5 | -26.3 | 177.3 | -69.1 | -173.3 | 178.2 | 178.4 | 0 | 113.6 | K323 | K319-K323 WeakPolarHBondContact O-CB 2.95Å; K319-K323 PolarHBondContact O-N 2.94Å; K319-K323 VanDerWaalsContact O-N 3.1Å |
| 320 | I | 86.1 | Confident | 84.8 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 72% | 0.718 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -72.4 | -47 | 178.4 | -60 | 176.1 | 0 | 0 | 0 | 108 | D318 K323 K324 | D318-I320 VanDerWaalsContact C-N 3.27Å; D318-I320 PolarHBondContact O-N 3.04Å; D318-I320 WeakPolarHBondContact OD1-CA 3.39Å; D318-I320 WeakPolarHBondContact OD1-CB 3.36Å; D318-I320 PolarHBondContact OD1-N 3.32Å; I320-K323 PolarHBondContact O-N 3.42Å; I320-K324 WeakPolarHBondContact O-CB 3.06Å; I320-K324 PolarHBondContact O-N 2.83Å |
| 321 | L | 87.3 | Confident | 86 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.4 | -177.8 | 57.7 | 0 | 0 | 0 | 111.9 | Y281 L305 E314 L315 D318 K323 K324 M325 | Y281-L321 HydrophobicContact CE2-CD1 4.45Å; Y281-L321 HydrophobicContact CE2-CD2 4.14Å; L305-L321 HydrophobicContact CD2-CD1 3.53Å; L305-L321 HydrophobicContact CD2-CD2 4.47Å; E314-L321 HydrophobicContact CB-CD2 4.47Å; L315-L321 HydrophobicContact CD2-CB 4.49Å; L315-L321 HydrophobicContact CD2-CD2 4.2Å; L315-L321 HydrophobicContact CD2-CG 3.77Å; D318-L321 HydrophobicContact CB-CB 3.79Å; D318-L321 VanDerWaalsContact CG-CB 3.46Å; D318-L321 PolarHBondContact O-N 3.12Å; D318-L321 PolarHBondContact OD1-N 3.47Å; L321-K323 VanDerWaalsContact C-N 3.34Å; L321-K323 PolarHBondContact O-N 2.7Å; L321-K324 PolarHBondContact O-N 3.22Å; L321-K324 VanDerWaalsContact O-N 3.17Å; L321-M325 HydrophobicContact CD1-CG 4.18Å; L321-M325 HydrophobicContact CG-CG 4.49Å; L321-M325 WeakPolarHBondContact O-CG 3.48Å; L321-M325 PolarHBondContact O-N 2.89Å |
| 322 | E | 90.1 | Very high | 86.5 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 176.9 | -172.6 | -173.6 | -128.7 | 0 | 0 | 111.5 | K274 L315 D318 K324 M325 L326 | K274-E322 WeakPolarHBondContact CD-OE1 3.23Å; K274-E322 VanDerWaalsContact CE-OE1 3.31Å; K274-E322 WeakPolarHBondContact CE-OE1 3.29Å; K274-E322 IonicContact NZ-OE1 2.69Å; K274-E322 PolarHBondContact NZ-OE1 3.21Å; K274-E322 IonicContact NZ-OE2 3.09Å; K274-E322 PolarHBondContact NZ-OE2 2.73Å; L315-E322 HydrophobicContact CD2-CB 4.31Å; D318-E322 PolarHBondContact O-N 3.07Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 3.4Å; E322-M325 PolarHBondContact O-N 3.44Å; E322-L326 HydrophobicContact CG-CD1 4.17Å; E322-L326 WeakPolarHBondContact O-CB 3.28Å; E322-L326 VanDerWaalsContact O-CG 3.31Å; E322-L326 WeakPolarHBondContact O-CG 3.45Å; E322-L326 PolarHBondContact O-N 3.41Å |
| 323 | K | 89.8 | Confident | 87.2 | Confident | 156 Ų | 156 | 63.1 Ų | 63.1 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | 179 | -173.6 | -179.2 | 177.8 | -173.5 | 0 | 111.5 | K319 I320 L321 L326 E327 | K319-K323 WeakPolarHBondContact O-CB 2.95Å; K319-K323 PolarHBondContact O-N 2.94Å; K319-K323 VanDerWaalsContact O-N 3.1Å; I320-K323 PolarHBondContact O-N 3.42Å; L321-K323 VanDerWaalsContact C-N 3.34Å; L321-K323 PolarHBondContact O-N 2.7Å; K323-L326 PolarHBondContact O-N 3.23Å; K323-E327 PolarHBondContact O-N 3.32Å; K323-E327 VanDerWaalsContact O-N 3.16Å |
| 324 | K | 88.1 | Confident | 87.7 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 178.3 | -157.4 | 174.8 | 176.7 | -163.6 | 0 | 111 | F300 E304 I320 L321 E322 L326 E327 I328 | F300-K324 HydrophobicContact CD2-CD 4.24Å; F300-K324 HydrophobicContact CD2-CG 4.48Å; F300-K324 HydrophobicContact CE2-CD 3.5Å; F300-K324 HydrophobicContact CE2-CG 3.92Å; F300-K324 VanDerWaalsContact CE2-NZ 3.3Å; F300-K324 HydrophobicContact CZ-CD 4.36Å; E304-K324 IonicContact OE2-NZ 3.15Å; E304-K324 PolarHBondContact OE2-NZ 2.86Å; I320-K324 WeakPolarHBondContact O-CB 3.06Å; I320-K324 PolarHBondContact O-N 2.83Å; L321-K324 PolarHBondContact O-N 3.22Å; L321-K324 VanDerWaalsContact O-N 3.17Å; E322-K324 VanDerWaalsContact C-N 3.3Å; E322-K324 PolarHBondContact O-N 3.4Å; K324-L326 PolarHBondContact O-N 3Å; K324-E327 WeakPolarHBondContact O-CB 2.84Å; K324-E327 PolarHBondContact O-N 3.27Å; K324-I328 HydrophobicContact CG-CD1 4.23Å; K324-I328 WeakPolarHBondContact O-CD1 3.41Å; K324-I328 VanDerWaalsContact O-CG1 3.26Å; K324-I328 WeakPolarHBondContact O-CG1 3.43Å; K324-I328 PolarHBondContact O-N 3.47Å |
| 325 | M | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.2 | -69.6 | -48.8 | -53.4 | 0 | 0 | 112.9 | A277 V280 Y281 L284 L315 L321 E322 E327 I328 S329 | A277-M325 HydrophobicContact CB-CB 4.22Å; V280-M325 HydrophobicContact CB-CE 4.26Å; V280-M325 HydrophobicContact CG1-CE 3.87Å; Y281-M325 HydrophobicContact CD2-CE 4.45Å; Y281-M325 HydrophobicContact CD2-CG 4.23Å; Y281-M325 HydrophobicContact CD2-SD 4Å; L284-M325 HydrophobicContact CD1-CE 3.96Å; L284-M325 HydrophobicContact CD1-SD 4.43Å; L315-M325 HydrophobicContact CD2-CB 4.1Å; L315-M325 HydrophobicContact CD2-CG 3.72Å; L321-M325 HydrophobicContact CD1-CG 4.18Å; L321-M325 HydrophobicContact CG-CG 4.49Å; L321-M325 WeakPolarHBondContact O-CG 3.48Å; L321-M325 PolarHBondContact O-N 2.89Å; E322-M325 PolarHBondContact O-N 3.44Å; M325-E327 VanDerWaalsContact C-N 3.26Å; M325-E327 PolarHBondContact O-N 2.9Å; M325-I328 HydrophobicContact CE-CD1 4.47Å; M325-I328 HydrophobicContact CE-CG2 4.5Å; M325-I328 PolarHBondContact O-N 3.45Å; M325-I328 HydrophobicContact SD-CD1 3.9Å; M325-S329 WeakPolarHBondContact O-CB 3.36Å; M325-S329 PolarHBondContact O-N 3.01Å; M325-S329 PolarHBondContact O-OG 3.49Å; M325-S329 VanDerWaalsContact O-OG 3.09Å |
| 326 | L | 92.4 | Very high | 88.5 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 173.9 | -75.8 | 169.6 | 0 | 0 | 0 | 113 | Q273 K274 A277 E322 K323 K324 R330 | Q273-L326 HydrophobicContact CB-CD2 4.36Å; Q273-L326 HydrophobicContact CG-CD2 3.77Å; K274-L326 HydrophobicContact CG-CD1 4.47Å; K274-L326 HydrophobicContact CG-CD2 4.14Å; A277-L326 HydrophobicContact CB-CD2 4.04Å; A277-L326 HydrophobicContact CB-CG 4.39Å; E322-L326 HydrophobicContact CG-CD1 4.17Å; E322-L326 WeakPolarHBondContact O-CB 3.28Å; E322-L326 VanDerWaalsContact O-CG 3.31Å; E322-L326 WeakPolarHBondContact O-CG 3.45Å; E322-L326 PolarHBondContact O-N 3.41Å; K323-L326 PolarHBondContact O-N 3.23Å; K324-L326 PolarHBondContact O-N 3Å; L326-R330 PolarHBondContact O-N 3.06Å |
| 327 | E | 90.7 | Very high | 89.1 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.4 | -46.3 | 175 | 171.5 | 142.7 | -113.5 | 0 | 0 | 111.8 | K323 K324 M325 S329 R330 | K323-E327 PolarHBondContact O-N 3.32Å; K323-E327 VanDerWaalsContact O-N 3.16Å; K324-E327 WeakPolarHBondContact O-CB 2.84Å; K324-E327 PolarHBondContact O-N 3.27Å; M325-E327 VanDerWaalsContact C-N 3.26Å; M325-E327 PolarHBondContact O-N 2.9Å; E327-S329 PolarHBondContact O-N 2.96Å; E327-R330 WeakPolarHBondContact O-CB 3.43Å; E327-R330 PolarHBondContact O-N 2.64Å; E327-R330 IonicContact OE1-CZ 2.82Å; E327-R330 IonicContact OE1-NH1 3.84Å; E327-R330 PolarHBondContact OE1-NH1 3.02Å; E327-R330 IonicContact OE1-NH2 3.95Å; E327-R330 PolarHBondContact OE1-NH2 3.48Å |
| 328 | I | 89.2 | Confident | 89.6 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 178.5 | -68.8 | 160.8 | 0 | 0 | 0 | 111.4 | L290 I294 F300 K324 M325 R330 | L290-I328 HydrophobicContact CD1-CG2 3.76Å; L290-I328 HydrophobicContact CD2-CG2 4.37Å; I294-I328 HydrophobicContact CD1-CG2 4.06Å; I294-I328 HydrophobicContact CG2-CG2 3.84Å; F300-I328 HydrophobicContact CB-CD1 4.48Å; F300-I328 HydrophobicContact CD2-CD1 3.15Å; F300-I328 HydrophobicContact CD2-CG1 4.19Å; F300-I328 HydrophobicContact CE2-CD1 3.38Å; F300-I328 HydrophobicContact CG-CD1 4.01Å; F300-I328 HydrophobicContact CZ-CD1 4.45Å; K324-I328 HydrophobicContact CG-CD1 4.23Å; K324-I328 WeakPolarHBondContact O-CD1 3.41Å; K324-I328 VanDerWaalsContact O-CG1 3.26Å; K324-I328 WeakPolarHBondContact O-CG1 3.43Å; K324-I328 PolarHBondContact O-N 3.47Å; M325-I328 HydrophobicContact CE-CD1 4.47Å; M325-I328 HydrophobicContact CE-CG2 4.5Å; M325-I328 PolarHBondContact O-N 3.45Å; M325-I328 HydrophobicContact SD-CD1 3.9Å; I328-R330 PolarHBondContact O-N 2.78Å |
| 329 | S | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 4.2 | -178 | 74.3 | 0 | 0 | 0 | 0 | 113.5 | A277 M325 E327 Q331 T332 F333 | A277-S329 WeakPolarHBondContact CB-OG 3.26Å; M325-S329 WeakPolarHBondContact O-CB 3.36Å; M325-S329 PolarHBondContact O-N 3.01Å; M325-S329 PolarHBondContact O-OG 3.49Å; M325-S329 VanDerWaalsContact O-OG 3.09Å; E327-S329 PolarHBondContact O-N 2.96Å; S329-Q331 PolarHBondContact O-N 2.71Å; S329-T332 PolarHBondContact O-N 2.93Å; S329-F333 VanDerWaalsContact O-CB 3.31Å; S329-F333 WeakPolarHBondContact O-CB 3.41Å; S329-F333 PolarHBondContact O-N 3.07Å |
| 330 | R | 92 | Very high | 89.4 | Confident | 128 Ų | 128 | 49.1 Ų | 49.1 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.6 | -45 | -170.3 | -173.4 | -176.6 | -65.8 | 136.7 | -0.5 | 112.8 | L326 E327 I328 F333 A334 | L326-R330 PolarHBondContact O-N 3.06Å; E327-R330 WeakPolarHBondContact O-CB 3.43Å; E327-R330 PolarHBondContact O-N 2.64Å; E327-R330 IonicContact OE1-CZ 2.82Å; E327-R330 IonicContact OE1-NH1 3.84Å; E327-R330 PolarHBondContact OE1-NH1 3.02Å; E327-R330 IonicContact OE1-NH2 3.95Å; E327-R330 PolarHBondContact OE1-NH2 3.48Å; I328-R330 PolarHBondContact O-N 2.78Å; R330-F333 PolarHBondContact O-N 3.07Å; R330-A334 PolarHBondContact O-N 2.79Å; R330-A334 VanDerWaalsContact O-N 3.07Å |
| 331 | Q | 89.5 | Confident | 89.6 | Confident | 102 Ų | 102 | 42.4 Ų | 42.4 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.6 | -43.4 | 179.8 | -69.9 | -174.7 | -9 | 0 | 0 | 111.7 | D295 S329 F333 A334 S335 | D295-Q331 HydrophobicContact CB-CB 4.33Å; D295-Q331 PolarHBondContact O-OE1 3.29Å; S329-Q331 PolarHBondContact O-N 2.71Å; Q331-F333 PolarHBondContact O-N 3.41Å; Q331-A334 PolarHBondContact O-N 2.88Å; Q331-A334 VanDerWaalsContact O-N 3.12Å; Q331-S335 PolarHBondContact O-N 2.95Å; Q331-S335 PolarHBondContact O-OG 2.94Å |
| 332 | T | 89.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 173.6 | -46 | 0 | 0 | 0 | 0 | 111.9 | V256 L276 L293 I294 S329 S335 K336 | V256-T332 HydrophobicContact CG1-CG2 3.92Å; L276-T332 HydrophobicContact CD2-CG2 4.28Å; L293-T332 PolarHBondContact O-OG1 3.34Å; I294-T332 WeakPolarHBondContact CA-OG1 3.31Å; S329-T332 PolarHBondContact O-N 2.93Å; T332-S335 WeakPolarHBondContact CA-OG 3.46Å; T332-S335 PolarHBondContact O-OG 3.24Å; T332-K336 HydrophobicContact CG2-CD 3.79Å; T332-K336 HydrophobicContact CG2-CG 4.32Å; T332-K336 WeakPolarHBondContact O-CB 3.09Å; T332-K336 PolarHBondContact O-N 3.13Å |
| 333 | F | 92.3 | Very high | 88.9 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 173.7 | 175.7 | -102.1 | 0 | 0 | 0 | 111.5 | V272 Q273 L276 S329 R330 Q331 S335 T337 E338 L341 | V272-F333 HydrophobicContact CG1-CE2 4.36Å; Q273-F333 VanDerWaalsContact CA-CE2 3.49Å; Q273-F333 HydrophobicContact CB-CD2 4.2Å; Q273-F333 HydrophobicContact CB-CE1 4.45Å; Q273-F333 HydrophobicContact CB-CE2 3.77Å; Q273-F333 HydrophobicContact CB-CZ 3.89Å; Q273-F333 HydrophobicContact CG-CD1 4.15Å; Q273-F333 HydrophobicContact CG-CD2 4.01Å; Q273-F333 HydrophobicContact CG-CE1 4.14Å; Q273-F333 HydrophobicContact CG-CE2 4.01Å; Q273-F333 HydrophobicContact CG-CG 4.06Å; Q273-F333 HydrophobicContact CG-CZ 4.05Å; L276-F333 HydrophobicContact CD2-CB 3.71Å; L276-F333 HydrophobicContact CD2-CD2 4.15Å; L276-F333 HydrophobicContact CD2-CG 4.44Å; S329-F333 VanDerWaalsContact O-CB 3.31Å; S329-F333 WeakPolarHBondContact O-CB 3.41Å; S329-F333 PolarHBondContact O-N 3.07Å; R330-F333 PolarHBondContact O-N 3.07Å; Q331-F333 PolarHBondContact O-N 3.41Å; F333-S335 VanDerWaalsContact C-N 3.27Å; F333-S335 PolarHBondContact O-N 2.87Å; F333-T337 HydrophobicContact CD2-CG2 3.98Å; F333-T337 HydrophobicContact CE2-CG2 3.85Å; F333-T337 PolarHBondContact O-N 2.76Å; F333-E338 HydrophobicContact CD1-CB 4.06Å; F333-E338 HydrophobicContact CE1-CB 3.77Å; F333-E338 HydrophobicContact CE1-CG 4.14Å; F333-E338 HydrophobicContact CZ-CB 4.17Å; F333-E338 WeakPolarHBondContact O-CB 3.43Å; F333-E338 PolarHBondContact O-N 3.09Å; F333-L341 HydrophobicContact CE2-CD1 3.95Å; F333-L341 HydrophobicContact CZ-CD1 3.52Å |
| 334 | A | 89.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.8 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R330 Q331 P339 | R330-A334 PolarHBondContact O-N 2.79Å; R330-A334 VanDerWaalsContact O-N 3.07Å; Q331-A334 PolarHBondContact O-N 2.88Å; Q331-A334 VanDerWaalsContact O-N 3.12Å; A334-P339 WeakPolarHBondContact O-CD 3.4Å |
| 335 | S | 86.3 | Confident | 88.4 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 40% | 0.399 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -81.2 | -48.6 | -179 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | D295 Q331 T332 F333 | D295-S335 PolarHBondContact OD2-OG 3.14Å; Q331-S335 PolarHBondContact O-N 2.95Å; Q331-S335 PolarHBondContact O-OG 2.94Å; T332-S335 WeakPolarHBondContact CA-OG 3.46Å; T332-S335 PolarHBondContact O-OG 3.24Å; F333-S335 VanDerWaalsContact C-N 3.27Å; F333-S335 PolarHBondContact O-N 2.87Å |
| 336 | K | 89.6 | Confident | 87.7 | Confident | 35 Ų | 35 | 40.1 Ų | 40.1 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -97.8 | -21.2 | -167.9 | -61.7 | -174.2 | -179.1 | -73.2 | 0 | 115.4 | F259 G261 I262 T332 | F259-K336 PolarHBondContact O-NZ 2.91Å; G261-K336 WeakPolarHBondContact CA-O 3.15Å; I262-K336 HydrophobicContact CD1-CD 4.47Å; I262-K336 PolarHBondContact N-O 3.15Å; T332-K336 HydrophobicContact CG2-CD 3.79Å; T332-K336 HydrophobicContact CG2-CG 4.32Å; T332-K336 WeakPolarHBondContact O-CB 3.09Å; T332-K336 PolarHBondContact O-N 3.13Å |
| 337 | T | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -42.4 | -167.4 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | I262 F264 V272 F333 P339 S340 | I262-T337 WeakPolarHBondContact O-CB 3.44Å; I262-T337 WeakPolarHBondContact O-CG2 3.24Å; I262-T337 PolarHBondContact O-OG1 2.65Å; F264-T337 HydrophobicContact CD2-CG2 3.89Å; F264-T337 HydrophobicContact CE2-CG2 3.98Å; V272-T337 HydrophobicContact CG1-CG2 3.39Å; F333-T337 HydrophobicContact CD2-CG2 3.98Å; F333-T337 HydrophobicContact CE2-CG2 3.85Å; F333-T337 PolarHBondContact O-N 2.76Å; T337-P339 VanDerWaalsContact C-CD 3.41Å; T337-P339 VanDerWaalsContact C-N 3.34Å; T337-S340 WeakPolarHBondContact O-CB 3.33Å; T337-S340 PolarHBondContact O-N 2.78Å; T337-S340 PolarHBondContact O-OG 3.09Å |
| 338 | E | 90.5 | Very high | 83.8 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -55 | -39.5 | -178.5 | -178.1 | 162.2 | -143.5 | 0 | 0 | 114.1 | F333 S340 L341 R345 | F333-E338 HydrophobicContact CD1-CB 4.06Å; F333-E338 HydrophobicContact CE1-CB 3.77Å; F333-E338 HydrophobicContact CE1-CG 4.14Å; F333-E338 HydrophobicContact CZ-CB 4.17Å; F333-E338 WeakPolarHBondContact O-CB 3.43Å; F333-E338 PolarHBondContact O-N 3.09Å; E338-S340 PolarHBondContact O-N 3.15Å; E338-S340 VanDerWaalsContact O-N 3.13Å; E338-L341 WeakPolarHBondContact O-CB 3.23Å; E338-L341 PolarHBondContact O-N 3.27Å; E338-R345 IonicContact OE1-CZ 3.53Å; E338-R345 IonicContact OE1-NH1 2.68Å; E338-R345 PolarHBondContact OE1-NH1 2.8Å; E338-R345 VanDerWaalsContact OE1-NH1 3.07Å; E338-R345 IonicContact OE1-NH2 3.23Å; E338-R345 PolarHBondContact OE1-NH2 3Å |
| 339 | P | 85.3 | Confident | 81.4 | Confident | 43 Ų | 43 | 38 Ų | 38 | 28% | 0.279 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -56 | -33.3 | 176.7 | -27.8 | 36.7 | 0 | 0 | 0 | 112.5 | A334 T337 L341 W342 S351 | A334-P339 WeakPolarHBondContact O-CD 3.4Å; T337-P339 VanDerWaalsContact C-CD 3.41Å; T337-P339 VanDerWaalsContact C-N 3.34Å; P339-L341 PolarHBondContact O-N 3.05Å; P339-W342 PolarHBondContact O-N 3.21Å; P339-S351 WeakPolarHBondContact O-CB 3.27Å; P339-S351 PolarHBondContact O-OG 2.77Å |
| 340 | S | 85 | Confident | 78.7 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -69.6 | -14.6 | 178.8 | 75.9 | 0 | 0 | 0 | 0 | 114.4 | T337 E338 I350 S351 | T337-S340 WeakPolarHBondContact O-CB 3.33Å; T337-S340 PolarHBondContact O-N 2.78Å; T337-S340 PolarHBondContact O-OG 3.09Å; E338-S340 PolarHBondContact O-N 3.15Å; E338-S340 VanDerWaalsContact O-N 3.13Å; S340-I350 CarbonylContact O-C 3.52Å; S340-S351 WeakPolarHBondContact CA-O 3.48Å; S340-S351 PolarHBondContact O-N 2.97Å |
| 341 | L | 88.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -89.9 | -9.9 | -176.1 | -60.4 | 177.8 | 0 | 0 | 0 | 113.4 | T266 V272 F333 E338 P339 L343 S344 R345 | T266-L341 HydrophobicContact CG2-CD2 3.8Å; V272-L341 HydrophobicContact CB-CD1 4.45Å; V272-L341 HydrophobicContact CB-CD2 4.1Å; V272-L341 HydrophobicContact CG1-CD1 4.37Å; V272-L341 HydrophobicContact CG1-CD2 4.04Å; V272-L341 HydrophobicContact CG2-CD2 4.04Å; F333-L341 HydrophobicContact CE2-CD1 3.95Å; F333-L341 HydrophobicContact CZ-CD1 3.52Å; E338-L341 WeakPolarHBondContact O-CB 3.23Å; E338-L341 PolarHBondContact O-N 3.27Å; P339-L341 PolarHBondContact O-N 3.05Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-L343 PolarHBondContact O-N 2.9Å; L341-S344 VanDerWaalsContact CA-OG 3.28Å; L341-S344 WeakPolarHBondContact CA-OG 3.09Å; L341-S344 CarbonylContact O-C 3.6Å; L341-S344 WeakPolarHBondContact O-CA 3.42Å; L341-S344 WeakPolarHBondContact O-CB 3.28Å; L341-S344 PolarHBondContact O-N 2.81Å; L341-S344 PolarHBondContact O-OG 2.89Å; L341-R345 WeakPolarHBondContact O-CG 3.27Å; L341-R345 PolarHBondContact O-N 2.84Å |
| 342 | W | 82.1 | Confident | 73.3 | Confident | 101 Ų | 101 | 35 Ų | 35 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -52.3 | -51 | -173.6 | -178 | 87 | 0 | 0 | 0 | 112.7 | P339 S344 R345 M400 L403 | P339-W342 PolarHBondContact O-N 3.21Å; W342-S344 VanDerWaalsContact C-N 3.34Å; W342-R345 PolarHBondContact O-N 2.82Å; W342-M400 HydrophobicContact CE3-SD 4.14Å; W342-M400 HydrophobicContact CH2-CB 4.36Å; W342-M400 HydrophobicContact CH2-SD 4.05Å; W342-M400 HydrophobicContact CZ3-CE 4.12Å; W342-M400 HydrophobicContact CZ3-CG 4.3Å; W342-M400 HydrophobicContact CZ3-SD 3.32Å; W342-M400 WeakPolarHBondContact CZ3-SD 3.25Å; W342-L403 HydrophobicContact CH2-CD2 3.38Å; W342-L403 HydrophobicContact CZ2-CD2 4.11Å; W342-L403 HydrophobicContact CZ3-CD2 3.58Å |
| 343 | L | 81.7 | Confident | 70.7 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.8 | -34.4 | 177 | -159.4 | 65.6 | 0 | 0 | 0 | 111.8 | I30 L341 R345 R346 I347 G348 N349 I350 M400 L403 | I30-L343 HydrophobicContact CD1-CD2 3.88Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-L343 PolarHBondContact O-N 2.9Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 3.45Å; L343-R346 PolarHBondContact O-N 2.92Å; L343-R346 VanDerWaalsContact O-N 3.09Å; L343-I347 HydrophobicContact CD1-CD1 3.13Å; L343-I347 HydrophobicContact CD1-CG1 3.71Å; L343-I347 HydrophobicContact CD2-CD1 4.08Å; L343-I347 HydrophobicContact CG-CB 4.32Å; L343-I347 HydrophobicContact CG-CD1 3.5Å; L343-I347 VanDerWaalsContact CG-CD1 3.5Å; L343-I347 HydrophobicContact CG-CG1 3.94Å; L343-I347 WeakPolarHBondContact O-CB 3.48Å; L343-I347 PolarHBondContact O-N 2.9Å; L343-G348 PolarHBondContact O-N 2.72Å; L343-N349 VanDerWaalsContact CD2-O 3.29Å; L343-N349 WeakPolarHBondContact CD2-O 3.38Å; L343-I350 WeakPolarHBondContact CB-O 3.13Å; L343-I350 WeakPolarHBondContact CD2-O 3.27Å; L343-M400 HydrophobicContact CD1-CE 3.46Å; L343-M400 VanDerWaalsContact CD1-CE 3.46Å; L343-M400 HydrophobicContact CD1-SD 4.06Å; L343-M400 HydrophobicContact CD2-CE 4.43Å; L343-L403 HydrophobicContact CD1-CD2 4.3Å |
| 344 | S | 83.2 | Confident | 68.3 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -33.6 | 178.5 | 83.8 | 0 | 0 | 0 | 0 | 114.4 | Q59 L341 W342 R346 G348 | Q59-S344 PolarHBondContact OE1-O 2.72Å; L341-S344 VanDerWaalsContact CA-OG 3.28Å; L341-S344 WeakPolarHBondContact CA-OG 3.09Å; L341-S344 CarbonylContact O-C 3.6Å; L341-S344 WeakPolarHBondContact O-CA 3.42Å; L341-S344 WeakPolarHBondContact O-CB 3.28Å; L341-S344 PolarHBondContact O-N 2.81Å; L341-S344 PolarHBondContact O-OG 2.89Å; W342-S344 VanDerWaalsContact C-N 3.34Å; S344-R346 VanDerWaalsContact C-N 3.29Å; S344-R346 PolarHBondContact O-N 3.23Å; S344-G348 PolarHBondContact O-N 2.88Å |
| 345 | R | 84.1 | Confident | 66.4 | Low | 65 Ų | 65 | 49.8 Ų | 49.8 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73 | -23.3 | 177.7 | -67.1 | 179.9 | -179 | 176.1 | 2.9 | 112.7 | G58 L60 E61 S269 E338 L341 W342 L343 | G58-R345 WeakPolarHBondContact O-CG 3.37Å; L60-R345 WeakPolarHBondContact CA-O 3.48Å; L60-R345 VanDerWaalsContact CB-O 3.32Å; L60-R345 WeakPolarHBondContact CB-O 2.96Å; L60-R345 HydrophobicContact CD1-CB 4.17Å; L60-R345 HydrophobicContact CG-CB 4.21Å; L60-R345 PolarHBondContact N-O 2.97Å; E61-R345 PolarHBondContact N-O 3.32Å; S269-R345 WeakPolarHBondContact OG-CG 3.01Å; E338-R345 IonicContact OE1-CZ 3.53Å; E338-R345 IonicContact OE1-NH1 2.68Å; E338-R345 PolarHBondContact OE1-NH1 2.8Å; E338-R345 VanDerWaalsContact OE1-NH1 3.07Å; E338-R345 IonicContact OE1-NH2 3.23Å; E338-R345 PolarHBondContact OE1-NH2 3Å; L341-R345 WeakPolarHBondContact O-CG 3.27Å; L341-R345 PolarHBondContact O-N 2.84Å; W342-R345 PolarHBondContact O-N 2.82Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 3.45Å |
| 346 | R | 75.1 | Confident | 65.1 | Low | 33 Ų | 33 | 48.3 Ų | 48.3 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -113.3 | -21.7 | -171.1 | -64.6 | -171.1 | 68.6 | -175.7 | 6.4 | 114.2 | E61 L343 S344 L403 E404 R406 | E61-R346 WeakPolarHBondContact CB-O 3.33Å; E61-R346 CarbonylContact O-C 3.54Å; E61-R346 VanDerWaalsContact O-O 3.11Å; E61-R346 IonicContact OE1-NE 3.79Å; E61-R346 IonicContact OE1-NH2 3.87Å; E61-R346 WeakPolarHBondContact OE2-CB 3.32Å; E61-R346 IonicContact OE2-CZ 3.96Å; E61-R346 IonicContact OE2-NE 2.63Å; E61-R346 PolarHBondContact OE2-NE 3.42Å; E61-R346 IonicContact OE2-NH2 2.98Å; L343-R346 PolarHBondContact O-N 2.92Å; L343-R346 VanDerWaalsContact O-N 3.09Å; S344-R346 VanDerWaalsContact C-N 3.29Å; S344-R346 PolarHBondContact O-N 3.23Å; R346-L403 HydrophobicContact CB-CD1 4.38Å; R346-L403 HydrophobicContact CB-CD2 4.03Å; R346-E404 IonicContact CZ-OE1 3.46Å; R346-E404 IonicContact CZ-OE2 2.96Å; R346-E404 IonicContact NH1-OE1 3.18Å; R346-E404 PolarHBondContact NH1-OE1 3.21Å; R346-E404 IonicContact NH1-OE2 3.39Å; R346-E404 IonicContact NH2-OE1 2.76Å; R346-E404 PolarHBondContact NH2-OE1 3.09Å; R346-E404 IonicContact NH2-OE2 3.78Å; R346-E404 PolarHBondContact NH2-OE2 3.38Å; R346-R406 VanDerWaalsContact O-CZ 3.26Å; R346-R406 PolarHBondContact O-NH1 2.97Å; R346-R406 PolarHBondContact O-NH2 3.19Å |
| 347 | I | 54.1 | Low | 63.9 | Low | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -47 | -178.9 | -51.4 | -169.4 | 0 | 0 | 0 | 111 | F32 A63 L343 L403 | F32-I347 HydrophobicContact CB-CD1 3.76Å; F32-I347 HydrophobicContact CB-CG1 4.49Å; F32-I347 HydrophobicContact CB-CG2 3.72Å; F32-I347 HydrophobicContact CD1-CD1 3.09Å; F32-I347 HydrophobicContact CD1-CG1 4.41Å; F32-I347 HydrophobicContact CD2-CD1 4.18Å; F32-I347 HydrophobicContact CE1-CD1 3.56Å; F32-I347 HydrophobicContact CG-CD1 3.41Å; F32-I347 VanDerWaalsContact CG-CD1 3.41Å; F32-I347 HydrophobicContact CG-CG1 4.38Å; F32-I347 HydrophobicContact CG-CG2 4.47Å; F32-I347 HydrophobicContact CZ-CD1 4.27Å; A63-I347 HydrophobicContact CB-CG2 4.24Å; L343-I347 HydrophobicContact CD1-CD1 3.13Å; L343-I347 HydrophobicContact CD1-CG1 3.71Å; L343-I347 HydrophobicContact CD2-CD1 4.08Å; L343-I347 HydrophobicContact CG-CB 4.32Å; L343-I347 HydrophobicContact CG-CD1 3.5Å; L343-I347 VanDerWaalsContact CG-CD1 3.5Å; L343-I347 HydrophobicContact CG-CG1 3.94Å; L343-I347 WeakPolarHBondContact O-CB 3.48Å; L343-I347 PolarHBondContact O-N 2.9Å; I347-L403 HydrophobicContact CD1-CD1 3.63Å; I347-L403 HydrophobicContact CG1-CD1 3.44Å; I347-L403 VanDerWaalsContact CG1-CD1 3.44Å |
| 348 | G | 47.4 | Very low | 63.1 | Low | 37 Ų | 37 | 51.8 Ų | 51.8 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 105.8 | 111.5 | -145.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L343 S344 | L343-G348 PolarHBondContact O-N 2.72Å; S344-G348 PolarHBondContact O-N 2.88Å |
| 349 | N | 37.9 | Very low | 62.7 | Low | 47 Ų | 47 | 51.9 Ų | 51.9 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 43.4 | 140.7 | -179.1 | -107.3 | -11.9 | 0 | 0 | 0 | 127.6 | T266 L343 | T266-N349 WeakPolarHBondContact CB-OD1 3.31Å; T266-N349 PolarHBondContact N-ND2 2.79Å; T266-N349 VanDerWaalsContact N-ND2 3.14Å; T266-N349 PolarHBondContact OG1-OD1 3.47Å; L343-N349 VanDerWaalsContact CD2-O 3.29Å; L343-N349 WeakPolarHBondContact CD2-O 3.38Å |
| 350 | I | 37.6 | Very low | 63 | Low | 79 Ų | 79 | 53.4 Ų | 53.4 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | trans | 89.2 | 121 | 163.3 | -48.8 | 174.8 | 0 | 0 | 0 | 121.6 | S340 L343 | S340-I350 CarbonylContact O-C 3.52Å; L343-I350 WeakPolarHBondContact CB-O 3.13Å; L343-I350 WeakPolarHBondContact CD2-O 3.27Å | ||
| 351 | S | 32.9 | Very low | 63.3 | Low | 28 Ų | 28 | 53.6 Ų | 53.6 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -145.1 | 162.9 | 165.8 | 156.1 | 0 | 0 | 0 | 0 | 113.2 | P339 S340 | P339-S351 WeakPolarHBondContact O-CB 3.27Å; P339-S351 PolarHBondContact O-OG 2.77Å; S340-S351 WeakPolarHBondContact CA-O 3.48Å; S340-S351 PolarHBondContact O-N 2.97Å | ||
| 352 | A | 35 | Very low | 63.6 | Low | 61 Ų | 61 | 53.7 Ų | 53.7 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | trans | -129.7 | 151.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L356 | A352-L356 HydrophobicContact CB-CD1 4.45Š| ||
| 353 | S | 34.3 | Very low | 64.3 | Low | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | trans | -107.9 | 166.6 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L356 | S353-L356 WeakPolarHBondContact O-CD1 3.08Å; S353-L356 VanDerWaalsContact O-CG 3.25Å; S353-L356 WeakPolarHBondContact O-CG 3.39Å | ||
| 354 | D | 42.2 | Very low | 65 | Low | 146 Ų | 146 | 49.9 Ų | 49.9 | 78% | 0.781 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -88.3 | -12.1 | -168.4 | -75 | -38.2 | 0 | 0 | 0 | 116.1 | L356 | D354-L356 PolarHBondContact O-N 3.25Š|
| 355 | E | 50 | Low | 65.7 | Low | 164 Ų | 164 | 50.4 Ų | 50.4 | 77% | 0.766 | 29% | 0.286 | S | S | * | . | trans | -104.3 | 47.8 | -173.9 | -68.8 | -167.6 | 162.8 | 0 | 0 | 114.7 | Q359 | E355-Q359 PolarHBondContact O-NE2 3.36Å; E355-Q359 VanDerWaalsContact O-NE2 3.13Å | ||
| 356 | L | 58.9 | Low | 66.3 | Low | 25 Ų | 25 | 47.5 Ų | 47.5 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | trans | -101 | -28.6 | -160.8 | -80 | -178.1 | 0 | 0 | 0 | 118.8 | A352 S353 D354 G358 Q359 L361 I379 | A352-L356 HydrophobicContact CB-CD1 4.45Å; S353-L356 WeakPolarHBondContact O-CD1 3.08Å; S353-L356 VanDerWaalsContact O-CG 3.25Å; S353-L356 WeakPolarHBondContact O-CG 3.39Å; D354-L356 PolarHBondContact O-N 3.25Å; L356-G358 PolarHBondContact O-N 3.08Å; L356-Q359 WeakPolarHBondContact O-CB 3.4Å; L356-Q359 PolarHBondContact O-N 2.93Å; L356-Q359 VanDerWaalsContact O-N 3.08Å; L356-L361 HydrophobicContact CD2-CD2 4.14Å; L356-I379 HydrophobicContact CB-CD1 3.51Å; L356-I379 HydrophobicContact CB-CG2 4.47Å; L356-I379 HydrophobicContact CD1-CD1 3.85Å; L356-I379 HydrophobicContact CD2-CD1 3.73Å; L356-I379 HydrophobicContact CG-CD1 3.88Å | ||
| 357 | P | 65 | Low | 67.2 | Low | 66 Ų | 66 | 46 Ų | 46 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 127.5 | -172.1 | -25.4 | 34.4 | 0 | 0 | 0 | 114.3 | V386 L389 | P357-V386 HydrophobicContact CB-CG2 4.45Å; P357-L389 HydrophobicContact CG-CD2 4.36Å |
| 358 | G | 74.6 | Confident | 68.9 | Low | 42 Ų | 42 | 46.8 Ų | 46.8 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L356 I379 | L356-G358 PolarHBondContact O-N 3.08Å; G358-I379 VanDerWaalsContact CA-O 3.3Å; G358-I379 WeakPolarHBondContact CA-O 3.43Å; G358-I379 PolarHBondContact N-O 3.18Å |
| 359 | Q | 82.5 | Confident | 70.8 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 150.9 | 177.4 | -62 | -169.3 | -9.5 | 0 | 0 | 112.1 | G260 E355 L356 I379 | G260-Q359 VanDerWaalsContact CA-OE1 3.28Å; E355-Q359 PolarHBondContact O-NE2 3.36Å; E355-Q359 VanDerWaalsContact O-NE2 3.13Å; L356-Q359 WeakPolarHBondContact O-CB 3.4Å; L356-Q359 PolarHBondContact O-N 2.93Å; L356-Q359 VanDerWaalsContact O-N 3.08Å; Q359-I379 PolarHBondContact O-N 3.16Å |
| 360 | R | 89.9 | Confident | 73.4 | Confident | 75 Ų | 75 | 45 Ų | 45 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.3 | 168.1 | -67.7 | 178 | -179.2 | 147.5 | 1.4 | 109.5 | Y246 E252 F259 G260 M377 | Y246-R360 PolarHBondContact OH-NH1 3Å; E252-R360 IonicContact OE2-NH1 3.2Å; F259-R360 CarbonylContact C-O 3.43Å; F259-R360 VanDerWaalsContact CA-O 3.29Å; F259-R360 WeakPolarHBondContact CA-O 3.18Å; F259-R360 HydrophobicContact CD1-CB 4.08Å; G260-R360 PolarHBondContact N-O 3.46Å; R360-M377 CarbonylContact C-O 3.58Å; R360-M377 WeakPolarHBondContact CA-O 3.22Å |
| 361 | L | 92.2 | Very high | 76.3 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.5 | 173.9 | -55.9 | -176.5 | 0 | 0 | 0 | 109.9 | G261 L263 L356 L363 S376 M377 I379 | G261-L361 WeakPolarHBondContact O-CA 3.35Å; L263-L361 HydrophobicContact CD1-CB 4.37Å; L263-L361 HydrophobicContact CD1-CD1 4.31Å; L263-L361 HydrophobicContact CD1-CD2 4.46Å; L356-L361 HydrophobicContact CD2-CD2 4.14Å; L361-L363 HydrophobicContact CB-CD1 4.03Å; L361-S376 CarbonylContact O-C 3.5Å; L361-S376 WeakPolarHBondContact O-CA 3.39Å; L361-S376 VanDerWaalsContact O-CB 3.28Å; L361-S376 WeakPolarHBondContact O-CB 3.4Å; L361-M377 HydrophobicContact CB-CG 3.85Å; L361-M377 HydrophobicContact CD1-CG 4.07Å; L361-M377 HydrophobicContact CD1-SD 4.01Å; L361-M377 HydrophobicContact CG-CG 4.26Å; L361-M377 PolarHBondContact N-O 3.01Å; L361-M377 PolarHBondContact O-N 2.86Å; L361-I379 HydrophobicContact CD1-CD1 3.97Å; L361-I379 HydrophobicContact CD1-CG1 4.44Å; L361-I379 HydrophobicContact CD2-CD1 4.32Å; L361-I379 HydrophobicContact CG-CD1 4.08Å; L361-I379 HydrophobicContact CG-CG1 4.41Å |
| 362 | L | 95.5 | Very high | 79.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134 | 168.6 | -173.8 | 66.2 | 0 | 0 | 0 | 109.2 | Y239 F242 F259 G261 I262 L263 L279 M374 | Y239-L362 HydrophobicContact CD2-CD2 4.15Å; Y239-L362 HydrophobicContact CE2-CD2 3.83Å; F242-L362 HydrophobicContact CD1-CD1 4.02Å; F242-L362 HydrophobicContact CD2-CD1 4.4Å; F242-L362 HydrophobicContact CE1-CD1 3.75Å; F242-L362 HydrophobicContact CE2-CD1 4.12Å; F242-L362 HydrophobicContact CG-CD1 4.36Å; F242-L362 HydrophobicContact CZ-CD1 3.79Å; F259-L362 HydrophobicContact CB-CB 4.16Å; F259-L362 HydrophobicContact CD1-CB 3.75Å; F259-L362 HydrophobicContact CD2-CB 3.9Å; F259-L362 HydrophobicContact CD2-CD2 3.99Å; F259-L362 HydrophobicContact CD2-CG 4.43Å; F259-L362 HydrophobicContact CE1-CB 4.14Å; F259-L362 HydrophobicContact CE1-CD1 4.18Å; F259-L362 HydrophobicContact CE2-CB 4.28Å; F259-L362 HydrophobicContact CE2-CD1 4.28Å; F259-L362 HydrophobicContact CE2-CD2 3.96Å; F259-L362 HydrophobicContact CE2-CG 4.42Å; F259-L362 HydrophobicContact CG-CB 3.63Å; F259-L362 HydrophobicContact CZ-CB 4.41Å; F259-L362 HydrophobicContact CZ-CD1 4.02Å; G261-L362 PolarHBondContact O-N 3.4Å; I262-L362 CarbonylContact C-O 3.54Å; I262-L362 WeakPolarHBondContact CA-O 2.98Å; I262-L362 HydrophobicContact CG1-CB 4.25Å; I262-L362 HydrophobicContact CG2-CB 4.26Å; I262-L362 HydrophobicContact CG2-CD2 4.21Å; I262-L362 HydrophobicContact CG2-CG 4.49Å; L263-L362 PolarHBondContact N-O 3.1Å; L279-L362 HydrophobicContact CD1-CD2 4.31Å; L362-M374 HydrophobicContact CD1-CG 3.74Å; L362-M374 HydrophobicContact CD1-SD 3.94Å; L362-M374 HydrophobicContact CD2-SD 3.96Å; L362-M374 HydrophobicContact CG-CG 4.19Å; L362-M374 HydrophobicContact CG-SD 4.12Å |
| 363 | L | 96 | Very high | 82.4 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.6 | -177.9 | -63.4 | 94.6 | 0 | 0 | 0 | 110.3 | L263 L361 M374 F375 M377 | L263-L363 HydrophobicContact CB-CD2 4.49Å; L263-L363 HydrophobicContact CB-CG 4.3Å; L263-L363 HydrophobicContact CD2-CD2 4.48Å; L263-L363 CarbonylContact O-C 3.55Å; L263-L363 WeakPolarHBondContact O-CA 3.47Å; L361-L363 HydrophobicContact CB-CD1 4.03Å; L363-M374 VanDerWaalsContact O-CA 3.29Å; L363-M374 WeakPolarHBondContact O-CA 3.33Å; L363-M374 WeakPolarHBondContact O-CG 3.42Å; L363-F375 HydrophobicContact CB-CD1 4.36Å; L363-F375 HydrophobicContact CB-CD2 4.03Å; L363-F375 HydrophobicContact CB-CE1 3.97Å; L363-F375 HydrophobicContact CB-CE2 3.59Å; L363-F375 HydrophobicContact CB-CG 4.4Å; L363-F375 HydrophobicContact CB-CZ 3.57Å; L363-F375 HydrophobicContact CD1-CD2 4.26Å; L363-F375 HydrophobicContact CD1-CE2 4.02Å; L363-F375 HydrophobicContact CD2-CE2 3.89Å; L363-F375 HydrophobicContact CD2-CZ 4.08Å; L363-F375 HydrophobicContact CG-CE2 4.03Å; L363-F375 HydrophobicContact CG-CZ 4.33Å; L363-F375 PolarHBondContact N-O 2.66Å; L363-F375 PolarHBondContact O-N 3.02Å; L363-M377 HydrophobicContact CD1-CB 4.45Å; L363-M377 HydrophobicContact CD1-CE 3.69Å; L363-M377 HydrophobicContact CD1-CG 3.81Å; L363-M377 HydrophobicContact CD1-SD 4.34Å; L363-M377 HydrophobicContact CD2-CE 3.58Å; L363-M377 HydrophobicContact CG-CE 4.31Å |
| 364 | F | 97.7 | Very high | 85.4 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.6 | 170.3 | -179.5 | -112.4 | 0 | 0 | 0 | 110 | Y231 A234 L235 C238 L263 F264 H265 Y366 A372 M374 | Y231-F364 HydrophobicContact CD2-CE1 4.15Å; Y231-F364 AromaticContact CE1-CE1 4Å; Y231-F364 HydrophobicContact CE1-CE1 4Å; Y231-F364 HydrophobicContact CE2-CD1 4.18Å; Y231-F364 AromaticContact CE2-CE1 3.6Å; Y231-F364 HydrophobicContact CE2-CE1 3.6Å; Y231-F364 AromaticContact CZ-CD1 3.87Å; Y231-F364 AromaticContact CZ-CE1 3.5Å; A234-F364 HydrophobicContact CB-CZ 4.34Å; L235-F364 HydrophobicContact CB-CE1 4.13Å; L235-F364 HydrophobicContact CB-CE2 4.26Å; L235-F364 HydrophobicContact CB-CZ 3.86Å; L235-F364 HydrophobicContact CD1-CB 4.25Å; L235-F364 HydrophobicContact CD1-CD1 3.75Å; L235-F364 HydrophobicContact CD1-CD2 3.83Å; L235-F364 HydrophobicContact CD1-CE1 3.96Å; L235-F364 HydrophobicContact CD1-CE2 4.04Å; L235-F364 HydrophobicContact CD1-CG 3.65Å; L235-F364 HydrophobicContact CD1-CZ 4.1Å; C238-F364 HydrophobicContact CB-CD2 4.35Å; C238-F364 HydrophobicContact CB-CE2 4.01Å; L263-F364 PolarHBondContact O-N 2.98Å; F264-F364 CarbonylContact C-O 3.58Å; F264-F364 HydrophobicContact CD1-CB 3.85Å; F264-F364 HydrophobicContact CD1-CD1 4.1Å; F264-F364 HydrophobicContact CD1-CG 4.32Å; F264-F364 HydrophobicContact CE1-CB 4.47Å; H265-F364 PolarHBondContact N-O 3.5Å; F364-Y366 HydrophobicContact CZ-CD2 4.43Å; F364-A372 HydrophobicContact CE2-CB 3.8Å; F364-A372 HydrophobicContact CZ-CB 3.9Å; F364-M374 HydrophobicContact CB-CE 4.05Å; F364-M374 HydrophobicContact CD2-CB 4.31Å; F364-M374 HydrophobicContact CD2-CE 3.58Å; F364-M374 HydrophobicContact CE2-CE 4.39Å; F364-M374 HydrophobicContact CG-CE 4.1Å |
| 365 | S | 96.9 | Very high | 88 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.3 | 173.4 | -176 | 0 | 0 | 0 | 0 | 110.3 | T139 A372 C373 | T139-S365 WeakPolarHBondContact CB-OG 3.5Å; T139-S365 VanDerWaalsContact OG1-CB 3.28Å; T139-S365 WeakPolarHBondContact OG1-CB 3.28Å; T139-S365 PolarHBondContact OG1-OG 3.12Å; S365-A372 CarbonylContact O-C 3.49Å; S365-A372 VanDerWaalsContact O-CA 3.23Å; S365-A372 WeakPolarHBondContact O-CA 3.32Å; S365-C373 PolarHBondContact N-O 3.5Å; S365-C373 PolarHBondContact O-N 2.77Å |
| 366 | Y | 96.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.7 | -179.8 | 178.1 | -90.3 | 0 | 0 | 0 | 109.3 | D209 S230 Y231 A234 H265 F364 Y370 V371 A372 | D209-Y366 PolarHBondContact OD2-OH 2.85Å; S230-Y366 WeakPolarHBondContact CB-OH 3.48Å; Y231-Y366 AromaticContact CD2-CD1 3.72Å; Y231-Y366 HydrophobicContact CD2-CD1 3.72Å; Y231-Y366 HydrophobicContact CD2-CD2 4.07Å; Y231-Y366 HydrophobicContact CD2-CE1 4.28Å; Y231-Y366 AromaticContact CD2-CG 3.61Å; Y231-Y366 HydrophobicContact CD2-CG 3.61Å; Y231-Y366 HydrophobicContact CE2-CD1 4.48Å; Y231-Y366 HydrophobicContact CE2-CG 4.21Å; Y231-Y366 HydrophobicContact CG-CG 4.48Å; A234-Y366 HydrophobicContact CB-CD2 4.19Å; A234-Y366 HydrophobicContact CB-CE2 4.21Å; H265-Y366 PolarHBondContact CD2-O 2.95Å; H265-Y366 VanDerWaalsContact CD2-O 3.3Å; F364-Y366 HydrophobicContact CZ-CD2 4.43Å; Y366-Y370 HydrophobicContact CE2-CD2 4.39Å; Y366-V371 CarbonylContact C-O 3.51Å; Y366-V371 WeakPolarHBondContact CA-O 3.24Å; Y366-A372 HydrophobicContact CD2-CB 3.98Å |
| 367 | G | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109 | Y370 V371 | G367-Y370 PolarHBondContact O-N 2.78Å; G367-V371 PolarHBondContact N-O 3.39Å; G367-V371 PolarHBondContact O-N 3.27Å |
| 368 | S | 90.2 | Very high | 93 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 16% | 0.161 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 158.7 | 172.3 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | N133 A134 D209 | N133-S368 PolarHBondContact ND2-O 2.67Å; A134-S368 WeakPolarHBondContact CB-O 3.15Å; D209-S368 WeakPolarHBondContact OD2-CB 3.48Å; D209-S368 PolarHBondContact OD2-OG 3.4Å |
| 369 | G | 86.6 | Confident | 93.8 | Very high | 25 Ų | 25 | 18.4 Ų | 18.4 | 26% | 0.258 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 5 | -148.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D209 | D209-G369 PolarHBondContact OD1-N 2.93Š|
| 370 | Y | 93 | Very high | 94.2 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 9% | 0.086 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 48.2 | 166.6 | -149.3 | 176.4 | 0 | 0 | 0 | 115.6 | H203 V204 D205 V207 S230 V233 A234 Y366 G367 | H203-Y370 AromaticContact CD2-CE2 3.79Å; H203-Y370 AromaticContact NE2-CE2 3.77Å; H203-Y370 AromaticContact NE2-CZ 3.91Å; V204-Y370 WeakPolarHBondContact CA-O 3.29Å; D205-Y370 HydrophobicContact CB-CD1 3.57Å; D205-Y370 HydrophobicContact CB-CE1 3.83Å; D205-Y370 HydrophobicContact CB-CG 4.1Å; D205-Y370 PolarHBondContact N-O 3Å; D205-Y370 WeakPolarHBondContact O-CB 3.45Å; V207-Y370 HydrophobicContact CB-CD1 3.65Å; V207-Y370 HydrophobicContact CB-CE1 4.42Å; V207-Y370 HydrophobicContact CB-CG 4.3Å; V207-Y370 HydrophobicContact CG2-CD1 3.27Å; V207-Y370 HydrophobicContact CG2-CE1 3.62Å; V207-Y370 HydrophobicContact CG2-CG 4.35Å; S230-Y370 VanDerWaalsContact O-CE2 3.23Å; S230-Y370 WeakPolarHBondContact O-CE2 3.27Å; V233-Y370 WeakPolarHBondContact CB-OH 3.4Å; V233-Y370 WeakPolarHBondContact CG1-OH 3.28Å; A234-Y370 HydrophobicContact CB-CD2 4.46Å; A234-Y370 HydrophobicContact CB-CE2 4.09Å; Y366-Y370 HydrophobicContact CE2-CD2 4.39Å; G367-Y370 PolarHBondContact O-N 2.78Å |
| 371 | V | 97.3 | Very high | 94 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 12% | 0.115 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125 | 172.4 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | N133 F136 V204 Y366 G367 | N133-V371 WeakPolarHBondContact ND2-CB 3.29Å; N133-V371 WeakPolarHBondContact ND2-CG2 3.09Å; N133-V371 WeakPolarHBondContact OD1-CG2 3.46Å; F136-V371 HydrophobicContact CB-CB 4.49Å; F136-V371 HydrophobicContact CB-CG1 4.44Å; F136-V371 HydrophobicContact CD1-CB 4.25Å; F136-V371 HydrophobicContact CD1-CG1 3.37Å; F136-V371 HydrophobicContact CD2-CG1 4.1Å; F136-V371 HydrophobicContact CE1-CG1 3.52Å; F136-V371 HydrophobicContact CE2-CG1 4.23Å; F136-V371 HydrophobicContact CG-CB 4.23Å; F136-V371 HydrophobicContact CG-CG1 3.69Å; F136-V371 HydrophobicContact CZ-CG1 3.96Å; V204-V371 HydrophobicContact CG1-CG2 4.02Å; V204-V371 HydrophobicContact CG2-CG1 4.03Å; Y366-V371 CarbonylContact C-O 3.51Å; Y366-V371 WeakPolarHBondContact CA-O 3.24Å; G367-V371 PolarHBondContact N-O 3.39Å; G367-V371 PolarHBondContact O-N 3.27Å |
| 372 | A | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y202 H203 A234 F364 S365 Y366 | Y202-A372 VanDerWaalsContact CA-O 3.3Å; Y202-A372 WeakPolarHBondContact CA-O 3.25Å; H203-A372 PolarHBondContact N-O 2.77Å; H203-A372 PolarHBondContact O-N 3.01Å; A234-A372 HydrophobicContact CB-CB 3.65Å; F364-A372 HydrophobicContact CE2-CB 3.8Å; F364-A372 HydrophobicContact CZ-CB 3.9Å; S365-A372 CarbonylContact O-C 3.49Å; S365-A372 VanDerWaalsContact O-CA 3.23Å; S365-A372 WeakPolarHBondContact O-CA 3.32Å; Y366-A372 HydrophobicContact CD2-CB 3.98Å |
| 373 | C | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.3 | 171.8 | -174 | 0 | 0 | 0 | 0 | 110.7 | F136 F143 S201 Y202 S365 | F136-C373 HydrophobicContact CE2-CB 3.5Å; F136-C373 HydrophobicContact CZ-CB 3.75Å; F143-C373 HydrophobicContact CE2-CB 4.44Å; S201-C373 CarbonylContact O-C 3.49Å; S201-C373 VanDerWaalsContact O-CA 3.22Å; S201-C373 WeakPolarHBondContact O-CA 3.38Å; S201-C373 PolarHBondContact O-SG 2.78Å; Y202-C373 HydrophobicContact CD1-CB 3.8Å; Y202-C373 HydrophobicContact CE1-CB 3.77Å; Y202-C373 HydrophobicContact CG-CB 4.41Å; Y202-C373 VanDerWaalsContact CZ-SG 3.6Å; S365-C373 PolarHBondContact N-O 3.5Å; S365-C373 PolarHBondContact O-N 2.77Å |
| 374 | M | 98 | Very high | 92.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.3 | 165.3 | -165.5 | 173 | -62.9 | 0 | 0 | 110.5 | R200 S201 L235 C238 Y239 F242 L362 L363 F364 | R200-M374 WeakPolarHBondContact CA-O 3.38Å; S201-M374 PolarHBondContact N-O 2.8Å; S201-M374 PolarHBondContact O-N 3.47Å; S201-M374 WeakPolarHBondContact OG-CB 3.38Å; S201-M374 PolarHBondContact OG-O 3.18Å; L235-M374 HydrophobicContact CD1-CE 3.67Å; C238-M374 HydrophobicContact CB-CB 3.86Å; C238-M374 HydrophobicContact CB-CE 4.16Å; Y239-M374 HydrophobicContact CD2-CE 4.19Å; Y239-M374 HydrophobicContact CD2-SD 3.56Å; Y239-M374 VanDerWaalsContact CD2-SD 3.56Å; Y239-M374 HydrophobicContact CG-CE 4.49Å; Y239-M374 HydrophobicContact CG-SD 4.29Å; F242-M374 HydrophobicContact CB-CB 4.42Å; F242-M374 HydrophobicContact CB-CG 4.39Å; F242-M374 HydrophobicContact CB-SD 4.19Å; F242-M374 HydrophobicContact CD2-CB 4.41Å; F242-M374 HydrophobicContact CD2-CG 4.21Å; F242-M374 HydrophobicContact CG-CG 4.29Å; F242-M374 HydrophobicContact CG-SD 4.39Å; L362-M374 HydrophobicContact CD1-CG 3.74Å; L362-M374 HydrophobicContact CD1-SD 3.94Å; L362-M374 HydrophobicContact CD2-SD 3.96Å; L362-M374 HydrophobicContact CG-CG 4.19Å; L362-M374 HydrophobicContact CG-SD 4.12Å; L363-M374 VanDerWaalsContact O-CA 3.29Å; L363-M374 WeakPolarHBondContact O-CA 3.33Å; L363-M374 WeakPolarHBondContact O-CG 3.42Å; F364-M374 HydrophobicContact CB-CE 4.05Å; F364-M374 HydrophobicContact CD2-CB 4.31Å; F364-M374 HydrophobicContact CD2-CE 3.58Å; F364-M374 HydrophobicContact CE2-CE 4.39Å; F364-M374 HydrophobicContact CG-CE 4.1Å |
| 375 | F | 97.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 169 | -174.1 | 59.6 | -83.3 | 0 | 0 | 0 | 109.7 | T139 F143 F195 R200 L363 | T139-F375 HydrophobicContact CG2-CE1 3.84Å; T139-F375 HydrophobicContact CG2-CZ 4.26Å; F143-F375 HydrophobicContact CE1-CD1 4.34Å; F143-F375 HydrophobicContact CE1-CD2 4.24Å; F143-F375 HydrophobicContact CE1-CE2 4.45Å; F143-F375 HydrophobicContact CE1-CG 4.18Å; F143-F375 HydrophobicContact CZ-CB 4.36Å; F143-F375 AromaticContact CZ-CD1 3.65Å; F143-F375 HydrophobicContact CZ-CD1 3.65Å; F143-F375 HydrophobicContact CZ-CD2 4.34Å; F143-F375 AromaticContact CZ-CE1 3.93Å; F143-F375 HydrophobicContact CZ-CE1 3.93Å; F143-F375 AromaticContact CZ-CG 3.86Å; F143-F375 HydrophobicContact CZ-CG 3.86Å; F143-F375 HydrophobicContact CZ-CZ 4.4Å; F195-F375 HydrophobicContact CD1-CD2 4.05Å; F195-F375 HydrophobicContact CD1-CE2 4.17Å; F195-F375 HydrophobicContact CE1-CD2 4.05Å; F195-F375 AromaticContact CE1-CE2 3.68Å; F195-F375 HydrophobicContact CE1-CE2 3.68Å; R200-F375 HydrophobicContact CG-CB 4.09Å; L363-F375 HydrophobicContact CB-CD1 4.36Å; L363-F375 HydrophobicContact CB-CD2 4.03Å; L363-F375 HydrophobicContact CB-CE1 3.97Å; L363-F375 HydrophobicContact CB-CE2 3.59Å; L363-F375 HydrophobicContact CB-CG 4.4Å; L363-F375 HydrophobicContact CB-CZ 3.57Å; L363-F375 HydrophobicContact CD1-CD2 4.26Å; L363-F375 HydrophobicContact CD1-CE2 4.02Å; L363-F375 HydrophobicContact CD2-CE2 3.89Å; L363-F375 HydrophobicContact CD2-CZ 4.08Å; L363-F375 HydrophobicContact CG-CE2 4.03Å; L363-F375 HydrophobicContact CG-CZ 4.33Å; L363-F375 PolarHBondContact N-O 2.66Å; L363-F375 PolarHBondContact O-N 3.02Å |
| 376 | S | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.6 | -179.8 | 57 | 0 | 0 | 0 | 0 | 112.4 | H196 L361 | H196-S376 PolarHBondContact CD2-OG 2.88Å; H196-S376 PolarHBondContact N-O 3.06Å; H196-S376 VanDerWaalsContact N-O 3.07Å; L361-S376 CarbonylContact O-C 3.5Å; L361-S376 WeakPolarHBondContact O-CA 3.39Å; L361-S376 VanDerWaalsContact O-CB 3.28Å; L361-S376 WeakPolarHBondContact O-CB 3.4Å |
| 377 | M | 92.7 | Very high | 91 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 7% | 0.069 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.9 | 169.6 | 69 | 177.8 | 65.6 | 0 | 0 | 111.3 | L193 V194 F195 R360 L361 L363 | L193-M377 HydrophobicContact CB-SD 4.36Å; V194-M377 CarbonylContact O-C 3.16Å; V194-M377 WeakPolarHBondContact O-CA 3.47Å; V194-M377 VanDerWaalsContact O-CB 3.24Å; V194-M377 WeakPolarHBondContact O-CB 3.47Å; F195-M377 HydrophobicContact CE1-CE 3.77Å; F195-M377 HydrophobicContact CE2-CE 4.27Å; F195-M377 HydrophobicContact CZ-CE 3.54Å; R360-M377 CarbonylContact C-O 3.58Å; R360-M377 WeakPolarHBondContact CA-O 3.22Å; L361-M377 HydrophobicContact CB-CG 3.85Å; L361-M377 HydrophobicContact CD1-CG 4.07Å; L361-M377 HydrophobicContact CD1-SD 4.01Å; L361-M377 HydrophobicContact CG-CG 4.26Å; L361-M377 PolarHBondContact N-O 3.01Å; L361-M377 PolarHBondContact O-N 2.86Å; L363-M377 HydrophobicContact CD1-CB 4.45Å; L363-M377 HydrophobicContact CD1-CE 3.69Å; L363-M377 HydrophobicContact CD1-CG 3.81Å; L363-M377 HydrophobicContact CD1-SD 4.34Å; L363-M377 HydrophobicContact CD2-CE 3.58Å; L363-M377 HydrophobicContact CG-CE 4.31Å |
| 378 | E | 91.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 36.9 Ų | 36.9 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.3 | 175.4 | -178.9 | 178.9 | 156.3 | 0 | 0 | 110.4 | V194 H196 | V194-E378 PolarHBondContact N-O 3.1Å; V194-E378 PolarHBondContact O-N 3.23Å; H196-E378 IonicContact CE1-OE2 3.59Å; H196-E378 IonicContact NE2-OE2 3.83Å |
| 379 | I | 90.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 109.4 | 173.2 | -51.9 | -177.1 | 0 | 0 | 0 | 107.8 | P192 L193 L356 G358 Q359 L361 L389 | P192-I379 WeakPolarHBondContact O-CA 3.36Å; L193-I379 HydrophobicContact CD2-CB 4.4Å; L193-I379 HydrophobicContact CD2-CD1 4.28Å; L193-I379 HydrophobicContact CD2-CG1 3.78Å; L193-I379 HydrophobicContact CD2-CG2 4.24Å; L356-I379 HydrophobicContact CB-CD1 3.51Å; L356-I379 HydrophobicContact CB-CG2 4.47Å; L356-I379 HydrophobicContact CD1-CD1 3.85Å; L356-I379 HydrophobicContact CD2-CD1 3.73Å; L356-I379 HydrophobicContact CG-CD1 3.88Å; G358-I379 VanDerWaalsContact CA-O 3.3Å; G358-I379 WeakPolarHBondContact CA-O 3.43Å; G358-I379 PolarHBondContact N-O 3.18Å; Q359-I379 PolarHBondContact O-N 3.16Å; L361-I379 HydrophobicContact CD1-CD1 3.97Å; L361-I379 HydrophobicContact CD1-CG1 4.44Å; L361-I379 HydrophobicContact CD2-CD1 4.32Å; L361-I379 HydrophobicContact CG-CD1 4.08Å; L361-I379 HydrophobicContact CG-CG1 4.41Å; I379-L389 HydrophobicContact CG2-CD2 3.78Å |
| 380 | R | 91.1 | Very high | 90.6 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | trans | -69.1 | 141.2 | -174.8 | -74.6 | -174.4 | 64.2 | -175.7 | 7.2 | 112.1 | N22 D190 A191 P192 V194 D382 S385 | N22-R380 VanDerWaalsContact CB-NH1 3.32Å; N22-R380 VanDerWaalsContact CG-NH1 3.32Å; N22-R380 PolarHBondContact ND2-NH1 3.11Å; N22-R380 VanDerWaalsContact ND2-NH1 3.15Å; D190-R380 IonicContact OD1-NH1 2.9Å; D190-R380 PolarHBondContact OD1-NH1 2.78Å; D190-R380 VanDerWaalsContact OD1-NH1 3.15Å; A191-R380 VanDerWaalsContact O-CD 3.3Å; A191-R380 WeakPolarHBondContact O-CD 3.33Å; P192-R380 PolarHBondContact O-N 2.92Å; V194-R380 HydrophobicContact CG2-CG 3.83Å; R380-D382 IonicContact CZ-OD2 3.54Å; R380-D382 IonicContact NE-OD2 3.72Å; R380-D382 PolarHBondContact NE-OD2 3.12Å; R380-D382 IonicContact NH2-OD2 2.7Å; R380-D382 PolarHBondContact NH2-OD2 3.21Å; R380-S385 VanDerWaalsContact CB-CB 3.5Å; R380-S385 WeakPolarHBondContact CB-OG 2.99Å; R380-S385 PolarHBondContact NE-OG 2.75Å | ||
| 381 | R | 86.2 | Confident | 90.4 | Very high | 207 Ų | 207 | 46.3 Ų | 46.3 | 78% | 0.781 | 23% | 0.226 | S | C | * | . | trans | -96 | -7.4 | -176.7 | 67 | -178.9 | 179.1 | -179.5 | -1 | 115.4 | ||||
| 382 | D | 87.5 | Confident | 90.1 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -68.8 | 151.7 | -179.9 | 67.2 | 90.5 | 0 | 0 | 0 | 111.6 | R380 H384 S385 V386 | R380-D382 IonicContact CZ-OD2 3.54Å; R380-D382 IonicContact NE-OD2 3.72Å; R380-D382 PolarHBondContact NE-OD2 3.12Å; R380-D382 IonicContact NH2-OD2 2.7Å; R380-D382 PolarHBondContact NH2-OD2 3.21Å; D382-H384 PolarHBondContact O-N 3.01Å; D382-H384 VanDerWaalsContact O-N 3.15Å; D382-H384 PolarHBondContact OD1-N 2.89Å; D382-S385 PolarHBondContact O-N 3.06Å; D382-S385 VanDerWaalsContact O-N 3.13Å; D382-S385 PolarHBondContact OD1-N 3.36Å; D382-S385 PolarHBondContact OD1-OG 3.22Å; D382-S385 VanDerWaalsContact OD1-OG 3.11Å; D382-S385 VanDerWaalsContact OD2-CB 3.26Å; D382-S385 WeakPolarHBondContact OD2-CB 3.4Å; D382-S385 PolarHBondContact OD2-OG 3.33Å; D382-V386 WeakPolarHBondContact O-CG2 3.22Å; D382-V386 PolarHBondContact O-N 2.86Å |
| 383 | A | 82.5 | Confident | 89.6 | Confident | 88 Ų | 88 | 48 Ų | 48 | 73% | 0.727 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -57.2 | -35.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G387 | A383-G387 PolarHBondContact O-N 3.12Å |
| 384 | H | 86.8 | Confident | 89 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 44% | 0.44 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71 | -46 | 179 | 166.1 | -95.1 | 0 | 0 | 0 | 111.3 | D382 V386 G387 R388 | D382-H384 PolarHBondContact O-N 3.01Å; D382-H384 VanDerWaalsContact O-N 3.15Å; D382-H384 PolarHBondContact OD1-N 2.89Å; H384-V386 PolarHBondContact O-N 3.3Å; H384-G387 PolarHBondContact O-N 2.77Å; H384-G387 VanDerWaalsContact O-N 3.15Å; H384-R388 PolarHBondContact CE1-NE 3.03Å; H384-R388 PolarHBondContact CE1-NH2 2.77Å; H384-R388 PolarHBondContact NE2-NE 3.46Å; H384-R388 VanDerWaalsContact NE2-NE 3.12Å; H384-R388 PolarHBondContact NE2-NH2 3.2Å; H384-R388 VanDerWaalsContact NE2-NH2 3.13Å; H384-R388 PolarHBondContact O-N 2.82Å |
| 385 | S | 87.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 172.6 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | P192 R380 D382 G387 R388 L389 | P192-S385 WeakPolarHBondContact CB-O 3.3Å; R380-S385 VanDerWaalsContact CB-CB 3.5Å; R380-S385 WeakPolarHBondContact CB-OG 2.99Å; R380-S385 PolarHBondContact NE-OG 2.75Å; D382-S385 PolarHBondContact O-N 3.06Å; D382-S385 VanDerWaalsContact O-N 3.13Å; D382-S385 PolarHBondContact OD1-N 3.36Å; D382-S385 PolarHBondContact OD1-OG 3.22Å; D382-S385 VanDerWaalsContact OD1-OG 3.11Å; D382-S385 VanDerWaalsContact OD2-CB 3.26Å; D382-S385 WeakPolarHBondContact OD2-CB 3.4Å; D382-S385 PolarHBondContact OD2-OG 3.33Å; S385-G387 VanDerWaalsContact C-N 3.26Å; S385-G387 PolarHBondContact O-N 3.1Å; S385-R388 PolarHBondContact O-N 2.87Å; S385-R388 VanDerWaalsContact O-N 3.15Å; S385-L389 WeakPolarHBondContact O-CB 3.22Å; S385-L389 PolarHBondContact O-N 3.18Å |
| 386 | V | 84.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | P357 D382 H384 L389 R390 | P357-V386 HydrophobicContact CB-CG2 4.45Å; D382-V386 WeakPolarHBondContact O-CG2 3.22Å; D382-V386 PolarHBondContact O-N 2.86Å; H384-V386 PolarHBondContact O-N 3.3Å; V386-L389 PolarHBondContact O-N 3.06Å; V386-R390 WeakPolarHBondContact O-CG 3.19Å; V386-R390 PolarHBondContact O-N 2.94Å |
| 387 | G | 84.9 | Confident | 87.5 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A383 H384 S385 R390 Q391 | A383-G387 PolarHBondContact O-N 3.12Å; H384-G387 PolarHBondContact O-N 2.77Å; H384-G387 VanDerWaalsContact O-N 3.15Å; S385-G387 VanDerWaalsContact C-N 3.26Å; S385-G387 PolarHBondContact O-N 3.1Å; G387-R390 PolarHBondContact O-N 2.79Å; G387-Q391 PolarHBondContact O-N 2.91Å |
| 388 | R | 88.6 | Confident | 86.9 | Confident | 50 Ų | 50 | 63 Ų | 63 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.3 | -68.6 | -174.4 | -178.3 | -168.4 | 4.1 | 112.3 | S189 D190 P192 H384 S385 R390 Q391 I392 | S189-R388 PolarHBondContact O-NH1 3.17Å; D190-R388 PolarHBondContact O-NH1 2.73Å; P192-R388 HydrophobicContact CB-CB 4.24Å; P192-R388 HydrophobicContact CG-CB 3.81Å; H384-R388 PolarHBondContact CE1-NE 3.03Å; H384-R388 PolarHBondContact CE1-NH2 2.77Å; H384-R388 PolarHBondContact NE2-NE 3.46Å; H384-R388 VanDerWaalsContact NE2-NE 3.12Å; H384-R388 PolarHBondContact NE2-NH2 3.2Å; H384-R388 VanDerWaalsContact NE2-NH2 3.13Å; H384-R388 PolarHBondContact O-N 2.82Å; S385-R388 PolarHBondContact O-N 2.87Å; S385-R388 VanDerWaalsContact O-N 3.15Å; R388-R390 PolarHBondContact O-N 3.37Å; R388-Q391 WeakPolarHBondContact O-CB 3.3Å; R388-Q391 PolarHBondContact O-N 3.07Å; R388-Q391 VanDerWaalsContact O-N 3.1Å; R388-I392 PolarHBondContact O-N 2.81Å |
| 389 | L | 87.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.2 | -177 | 62.4 | 0 | 0 | 0 | 111.3 | P192 L193 P357 I379 S385 V386 Q391 I392 L393 | P192-L389 HydrophobicContact CB-CB 4.1Å; L193-L389 HydrophobicContact CD2-CD1 4.23Å; P357-L389 HydrophobicContact CG-CD2 4.36Å; I379-L389 HydrophobicContact CG2-CD2 3.78Å; S385-L389 WeakPolarHBondContact O-CB 3.22Å; S385-L389 PolarHBondContact O-N 3.18Å; V386-L389 PolarHBondContact O-N 3.06Å; L389-Q391 PolarHBondContact O-N 2.81Å; L389-I392 WeakPolarHBondContact O-CB 3.33Å; L389-I392 PolarHBondContact O-N 2.8Å; L389-I392 VanDerWaalsContact O-N 3.12Å; L389-L393 HydrophobicContact CG-CD1 4.44Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.03Å |
| 390 | R | 85.9 | Confident | 86 | Confident | 169 Ų | 169 | 61.6 Ų | 61.6 | 64% | 0.638 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.6 | -34.4 | 174.4 | -71.7 | -179 | -169.8 | 125.6 | -0.2 | 112.7 | V386 G387 R388 K394 | V386-R390 WeakPolarHBondContact O-CG 3.19Å; V386-R390 PolarHBondContact O-N 2.94Å; G387-R390 PolarHBondContact O-N 2.79Å; R388-R390 PolarHBondContact O-N 3.37Å; R390-K394 WeakPolarHBondContact O-CB 3.32Å; R390-K394 PolarHBondContact O-N 3.39Å |
| 391 | Q | 88.6 | Confident | 85.3 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 174.2 | -176.5 | 177.5 | 1.2 | 0 | 0 | 111.6 | Y86 G387 R388 L389 K394 T395 | Y86-Q391 HydrophobicContact CD1-CG 4.3Å; Y86-Q391 HydrophobicContact CE1-CG 3.91Å; G387-Q391 PolarHBondContact O-N 2.91Å; R388-Q391 WeakPolarHBondContact O-CB 3.3Å; R388-Q391 PolarHBondContact O-N 3.07Å; R388-Q391 VanDerWaalsContact O-N 3.1Å; L389-Q391 PolarHBondContact O-N 2.81Å; Q391-K394 PolarHBondContact O-N 3.19Å; Q391-T395 PolarHBondContact O-N 3.25Å; Q391-T395 PolarHBondContact O-OG1 3.36Å |
| 392 | I | 90.7 | Very high | 85 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.1 | -53 | 173.5 | -66.3 | 169.6 | 0 | 0 | 0 | 110.4 | I25 M28 Y86 P192 L193 R388 L389 K394 T395 L396 | I25-I392 HydrophobicContact CG2-CD1 4.47Å; M28-I392 HydrophobicContact CB-CG2 4.21Å; Y86-I392 WeakPolarHBondContact OH-CA 3.45Å; P192-I392 HydrophobicContact CG-CD1 3.76Å; L193-I392 HydrophobicContact CD1-CD1 4.41Å; R388-I392 PolarHBondContact O-N 2.81Å; L389-I392 WeakPolarHBondContact O-CB 3.33Å; L389-I392 PolarHBondContact O-N 2.8Å; L389-I392 VanDerWaalsContact O-N 3.12Å; I392-K394 PolarHBondContact O-N 3.04Å; I392-T395 PolarHBondContact O-N 3.3Å; I392-T395 VanDerWaalsContact O-N 3.17Å; I392-L396 HydrophobicContact CG2-CD1 3.82Å; I392-L396 HydrophobicContact CG2-CG 4.3Å; I392-L396 WeakPolarHBondContact O-CG 3.3Å; I392-L396 PolarHBondContact O-N 3.06Å |
| 393 | L | 87.2 | Confident | 84.7 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57 | -48.2 | -179.7 | -66.2 | 174.1 | 0 | 0 | 0 | 111.6 | L389 T395 L396 D397 | L389-L393 HydrophobicContact CG-CD1 4.44Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.03Å; L393-T395 VanDerWaalsContact C-N 3.33Å; L393-T395 PolarHBondContact O-N 3.16Å; L393-L396 CarbonylContact O-C 3.59Å; L393-L396 PolarHBondContact O-N 2.75Å; L393-L396 VanDerWaalsContact O-N 3.11Å; L393-D397 VanDerWaalsContact O-CG 3.29Å; L393-D397 PolarHBondContact O-N 3.08Å |
| 394 | K | 86.3 | Confident | 84.4 | Confident | 142 Ų | 142 | 56.2 Ų | 56.2 | 62% | 0.617 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.6 | -40.5 | 177.6 | -177 | -179.2 | 179.8 | -180 | 0 | 113.1 | R390 Q391 I392 I398 | R390-K394 WeakPolarHBondContact O-CB 3.32Å; R390-K394 PolarHBondContact O-N 3.39Å; Q391-K394 PolarHBondContact O-N 3.19Å; I392-K394 PolarHBondContact O-N 3.04Å; K394-I398 WeakPolarHBondContact O-CG1 3.2Å; K394-I398 PolarHBondContact O-N 3.13Å |
| 395 | T | 88.4 | Confident | 84.1 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -41 | 176.6 | -68 | 0 | 0 | 0 | 0 | 110.8 | M28 D29 H85 Y86 Q391 I392 L393 I398 S399 | M28-T395 WeakPolarHBondContact O-CG2 3.49Å; D29-T395 HydrophobicContact CB-CG2 4.22Å; H85-T395 HydrophobicContact CB-CG2 4.01Å; H85-T395 WeakPolarHBondContact ND1-CG2 3.07Å; Y86-T395 HydrophobicContact CE2-CG2 3.88Å; Q391-T395 PolarHBondContact O-N 3.25Å; Q391-T395 PolarHBondContact O-OG1 3.36Å; I392-T395 PolarHBondContact O-N 3.3Å; I392-T395 VanDerWaalsContact O-N 3.17Å; L393-T395 VanDerWaalsContact C-N 3.33Å; L393-T395 PolarHBondContact O-N 3.16Å; T395-I398 PolarHBondContact O-N 2.61Å; T395-S399 PolarHBondContact O-N 3.19Å; T395-S399 PolarHBondContact O-OG 3.28Å |
| 396 | L | 87.6 | Confident | 84 | Confident | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176 | -66.2 | 173.9 | 0 | 0 | 0 | 111 | M28 I30 I392 L393 I398 S399 M400 | M28-L396 HydrophobicContact CE-CD1 3.61Å; M28-L396 HydrophobicContact CE-CD2 4.05Å; M28-L396 HydrophobicContact CE-CG 4.4Å; M28-L396 HydrophobicContact CG-CD2 4.43Å; I30-L396 HydrophobicContact CD1-CD2 3.96Å; I30-L396 HydrophobicContact CG1-CD2 4.02Å; I30-L396 HydrophobicContact CG2-CD2 4.01Å; I392-L396 HydrophobicContact CG2-CD1 3.82Å; I392-L396 HydrophobicContact CG2-CG 4.3Å; I392-L396 WeakPolarHBondContact O-CG 3.3Å; I392-L396 PolarHBondContact O-N 3.06Å; L393-L396 CarbonylContact O-C 3.59Å; L393-L396 PolarHBondContact O-N 2.75Å; L393-L396 VanDerWaalsContact O-N 3.11Å; L396-I398 VanDerWaalsContact C-N 3.28Å; L396-I398 PolarHBondContact O-N 2.84Å; L396-S399 CarbonylContact O-C 3.57Å; L396-S399 VanDerWaalsContact O-CA 3.28Å; L396-S399 WeakPolarHBondContact O-CA 3.46Å; L396-S399 WeakPolarHBondContact O-CB 3.12Å; L396-S399 PolarHBondContact O-N 2.88Å; L396-M400 VanDerWaalsContact O-CG 3.28Å; L396-M400 WeakPolarHBondContact O-CG 3.48Å; L396-M400 PolarHBondContact O-N 2.67Å |
| 397 | D | 82.3 | Confident | 83.9 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -52.9 | -44.8 | 176.4 | -69.2 | -24.3 | 0 | 0 | 0 | 112 | L393 S399 M400 D401 | L393-D397 VanDerWaalsContact O-CG 3.29Å; L393-D397 PolarHBondContact O-N 3.08Å; D397-S399 PolarHBondContact O-N 2.83Å; D397-M400 WeakPolarHBondContact O-CA 3.22Å; D397-M400 WeakPolarHBondContact O-CB 3.32Å; D397-M400 PolarHBondContact O-N 2.97Å; D397-D401 PolarHBondContact O-N 3.35Å |
| 398 | I | 80 | Confident | 84.1 | Confident | 72 Ų | 72 | 61 Ų | 61 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 175.3 | -65.5 | 165.1 | 0 | 0 | 0 | 111.3 | K394 T395 L396 | K394-I398 WeakPolarHBondContact O-CG1 3.2Å; K394-I398 PolarHBondContact O-N 3.13Å; T395-I398 PolarHBondContact O-N 2.61Å; L396-I398 VanDerWaalsContact C-N 3.28Å; L396-I398 PolarHBondContact O-N 2.84Å |
| 399 | S | 81.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75 | -29 | 175.1 | -65.8 | 0 | 0 | 0 | 0 | 112 | D29 I30 F32 R81 T395 L396 D397 L402 | D29-S399 PolarHBondContact OD1-OG 3.38Å; I30-S399 PolarHBondContact O-OG 3Å; F32-S399 VanDerWaalsContact CZ-O 3.23Å; F32-S399 WeakPolarHBondContact CZ-O 3.23Å; R81-S399 PolarHBondContact NH2-OG 2.87Å; T395-S399 PolarHBondContact O-N 3.19Å; T395-S399 PolarHBondContact O-OG 3.28Å; L396-S399 CarbonylContact O-C 3.57Å; L396-S399 VanDerWaalsContact O-CA 3.28Å; L396-S399 WeakPolarHBondContact O-CA 3.46Å; L396-S399 WeakPolarHBondContact O-CB 3.12Å; L396-S399 PolarHBondContact O-N 2.88Å; D397-S399 PolarHBondContact O-N 2.83Å; S399-L402 VanDerWaalsContact O-CB 3.3Å; S399-L402 WeakPolarHBondContact O-CB 3.3Å; S399-L402 PolarHBondContact O-N 3.01Å |
| 400 | M | 80 | Confident | 84.2 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.6 | -32.4 | 173.9 | -55 | -65.2 | 55 | 0 | 0 | 112.3 | I30 F32 W342 L343 L396 D397 L402 L403 | I30-M400 HydrophobicContact CD1-CE 3.21Å; I30-M400 HydrophobicContact CD1-SD 4.16Å; I30-M400 HydrophobicContact CG1-CE 4.27Å; F32-M400 HydrophobicContact CE1-CE 3.98Å; W342-M400 HydrophobicContact CE3-SD 4.14Å; W342-M400 HydrophobicContact CH2-CB 4.36Å; W342-M400 HydrophobicContact CH2-SD 4.05Å; W342-M400 HydrophobicContact CZ3-CE 4.12Å; W342-M400 HydrophobicContact CZ3-CG 4.3Å; W342-M400 HydrophobicContact CZ3-SD 3.32Å; W342-M400 WeakPolarHBondContact CZ3-SD 3.25Å; L343-M400 HydrophobicContact CD1-CE 3.46Å; L343-M400 VanDerWaalsContact CD1-CE 3.46Å; L343-M400 HydrophobicContact CD1-SD 4.06Å; L343-M400 HydrophobicContact CD2-CE 4.43Å; L396-M400 VanDerWaalsContact O-CG 3.28Å; L396-M400 WeakPolarHBondContact O-CG 3.48Å; L396-M400 PolarHBondContact O-N 2.67Å; D397-M400 WeakPolarHBondContact O-CA 3.22Å; D397-M400 WeakPolarHBondContact O-CB 3.32Å; D397-M400 PolarHBondContact O-N 2.97Å; M400-L402 PolarHBondContact O-N 3.47Å; M400-L402 VanDerWaalsContact O-N 3.13Å; M400-L403 WeakPolarHBondContact O-CB 3.11Å; M400-L403 PolarHBondContact O-N 2.98Å |
| 401 | D | 76.6 | Confident | 84.6 | Confident | 102 Ų | 102 | 53 Ų | 53 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.6 | 171.5 | -73.9 | -22.2 | 0 | 0 | 0 | 112.5 | D397 L403 Q405 | D397-D401 PolarHBondContact O-N 3.35Å; D401-L403 PolarHBondContact O-N 3.13Å; D401-Q405 WeakPolarHBondContact O-CG 3.33Å; D401-Q405 PolarHBondContact O-NE2 3.49Å |
| 402 | L | 79.4 | Confident | 84.7 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23 | 176.1 | -60.2 | 176.4 | 0 | 0 | 0 | 112.2 | F32 S399 M400 Q405 R406 | F32-L402 VanDerWaalsContact CE2-C 3.47Å; F32-L402 HydrophobicContact CE2-CB 3.76Å; F32-L402 HydrophobicContact CZ-CB 3.69Å; S399-L402 VanDerWaalsContact O-CB 3.3Å; S399-L402 WeakPolarHBondContact O-CB 3.3Å; S399-L402 PolarHBondContact O-N 3.01Å; M400-L402 PolarHBondContact O-N 3.47Å; M400-L402 VanDerWaalsContact O-N 3.13Å; L402-Q405 PolarHBondContact O-N 3.46Å; L402-R406 PolarHBondContact O-N 3.48Å |
| 403 | L | 81.9 | Confident | 84.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -43.5 | -175.6 | -168.7 | 64.7 | 0 | 0 | 0 | 110.7 | F32 W342 L343 R346 I347 M400 D401 Q405 R406 | F32-L403 HydrophobicContact CD2-CD1 4.31Å; F32-L403 HydrophobicContact CE1-CD1 4.42Å; F32-L403 VanDerWaalsContact CE2-CA 3.44Å; F32-L403 HydrophobicContact CE2-CB 4.07Å; F32-L403 HydrophobicContact CE2-CD1 3.89Å; F32-L403 HydrophobicContact CZ-CB 3.69Å; F32-L403 HydrophobicContact CZ-CD1 3.92Å; F32-L403 HydrophobicContact CZ-CG 4.45Å; F32-L403 VanDerWaalsContact CZ-N 3.28Å; W342-L403 HydrophobicContact CH2-CD2 3.38Å; W342-L403 HydrophobicContact CZ2-CD2 4.11Å; W342-L403 HydrophobicContact CZ3-CD2 3.58Å; L343-L403 HydrophobicContact CD1-CD2 4.3Å; R346-L403 HydrophobicContact CB-CD1 4.38Å; R346-L403 HydrophobicContact CB-CD2 4.03Å; I347-L403 HydrophobicContact CD1-CD1 3.63Å; I347-L403 HydrophobicContact CG1-CD1 3.44Å; I347-L403 VanDerWaalsContact CG1-CD1 3.44Å; M400-L403 WeakPolarHBondContact O-CB 3.11Å; M400-L403 PolarHBondContact O-N 2.98Å; D401-L403 PolarHBondContact O-N 3.13Å; L403-Q405 PolarHBondContact O-N 2.66Å; L403-R406 PolarHBondContact O-N 2.89Å; L403-R406 PolarHBondContact O-NE 2.92Å |
| 404 | E | 77.4 | Confident | 84.8 | Confident | 123 Ų | 123 | 54.1 Ų | 54.1 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -16.8 | 176 | -53.9 | -53.9 | 160.2 | 0 | 0 | 112.8 | R346 | R346-E404 IonicContact CZ-OE1 3.46Å; R346-E404 IonicContact CZ-OE2 2.96Å; R346-E404 IonicContact NH1-OE1 3.18Å; R346-E404 PolarHBondContact NH1-OE1 3.21Å; R346-E404 IonicContact NH1-OE2 3.39Å; R346-E404 IonicContact NH2-OE1 2.76Å; R346-E404 PolarHBondContact NH2-OE1 3.09Å; R346-E404 IonicContact NH2-OE2 3.78Å; R346-E404 PolarHBondContact NH2-OE2 3.38Å |
| 405 | Q | 79.2 | Confident | 85 | Confident | 115 Ų | 115 | 48.1 Ų | 48.1 | 54% | 0.537 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.3 | 179.4 | -67.7 | 171.5 | 47.2 | 0 | 0 | 113 | D401 L402 L403 N441 | D401-Q405 WeakPolarHBondContact O-CG 3.33Å; D401-Q405 PolarHBondContact O-NE2 3.49Å; L402-Q405 PolarHBondContact O-N 3.46Å; L403-Q405 PolarHBondContact O-N 2.66Å; Q405-N441 PolarHBondContact O-ND2 3.12Å; Q405-N441 PolarHBondContact O-OD1 3.36Å |
| 406 | R | 84.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 149.8 | 179.4 | -63.2 | -173.3 | -61 | 175.2 | 0.2 | 112.1 | F32 P33 S34 Y36 E61 R346 L402 L403 | F32-R406 HydrophobicContact CD2-CG 4.22Å; F32-R406 HydrophobicContact CE2-CG 4.12Å; P33-R406 WeakPolarHBondContact O-CD 3.39Å; S34-R406 CarbonylContact O-C 3.42Å; S34-R406 VanDerWaalsContact O-CA 3.28Å; S34-R406 WeakPolarHBondContact O-CA 3.29Å; S34-R406 WeakPolarHBondContact O-CB 3.22Å; Y36-R406 HydrophobicContact CD1-CB 3.7Å; Y36-R406 HydrophobicContact CE1-CB 4.2Å; E61-R406 IonicContact OE2-CZ 3.08Å; E61-R406 IonicContact OE2-NH2 3.15Å; E61-R406 PolarHBondContact OE2-NH2 3.4Å; R346-R406 VanDerWaalsContact O-CZ 3.26Å; R346-R406 PolarHBondContact O-NH1 2.97Å; R346-R406 PolarHBondContact O-NH2 3.19Å; L402-R406 PolarHBondContact O-N 3.48Å; L403-R406 PolarHBondContact O-N 2.89Å; L403-R406 PolarHBondContact O-NE 2.92Å |
| 407 | S | 84.1 | Confident | 85.2 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.5 | 175.6 | -72.9 | 0 | 0 | 0 | 0 | 110.4 | S34 M35 Y36 N441 | S34-S407 PolarHBondContact O-N 3.39Å; M35-S407 VanDerWaalsContact CA-O 3.24Å; M35-S407 WeakPolarHBondContact CA-O 3.09Å; Y36-S407 PolarHBondContact N-O 2.91Å; S407-N441 PolarHBondContact N-ND2 2.72Å; S407-N441 PolarHBondContact OG-ND2 3.25Å; S407-N441 PolarHBondContact OG-OD1 3.47Å; S407-N441 VanDerWaalsContact OG-OD1 3.08Å |
| 408 | K | 88.5 | Confident | 85.6 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 134.5 | 168.3 | -168.9 | 171.7 | 61.7 | 169.5 | 0 | 110.3 | Y36 D38 E41 | Y36-K408 HydrophobicContact CD2-CG 4.49Å; Y36-K408 HydrophobicContact CE1-CB 3.86Å; Y36-K408 HydrophobicContact CE2-CB 4.06Å; Y36-K408 HydrophobicContact CE2-CD 4.17Å; Y36-K408 HydrophobicContact CE2-CG 3.85Å; Y36-K408 CarbonylContact O-C 3.59Å; Y36-K408 WeakPolarHBondContact O-CA 3.33Å; D38-K408 HydrophobicContact CB-CD 4.03Å; E41-K408 WeakPolarHBondContact OE1-CE 3.33Å; E41-K408 IonicContact OE1-NZ 3.06Å; E41-K408 PolarHBondContact OE1-NZ 3.45Å |
| 409 | V | 88.1 | Confident | 86 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.6 | 169.9 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | M35 Y36 V37 V64 M413 F414 | M35-V409 HydrophobicContact CB-CG1 4.03Å; M35-V409 HydrophobicContact CG-CG1 4.12Å; M35-V409 HydrophobicContact SD-CG1 3.85Å; Y36-V409 WeakPolarHBondContact O-CG2 3.4Å; Y36-V409 PolarHBondContact O-N 3.34Å; V37-V409 HydrophobicContact CB-CG2 4.21Å; V64-V409 HydrophobicContact CB-CG2 4.45Å; V64-V409 HydrophobicContact CG2-CG2 4.1Å; V409-M413 HydrophobicContact CB-CB 4.31Å; V409-M413 HydrophobicContact CB-CG 4.21Å; V409-M413 HydrophobicContact CG1-CG 4.41Å; V409-F414 HydrophobicContact CG2-CB 4.27Å |
| 410 | S | 90.4 | Very high | 86.3 | Confident | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | trans | -70.7 | 155.8 | 175.8 | 84.2 | 0 | 0 | 0 | 0 | 111 | E412 M413 F414 | S410-E412 VanDerWaalsContact CB-OE2 3.28Å; S410-E412 WeakPolarHBondContact CB-OE2 3.48Å; S410-E412 PolarHBondContact O-N 2.78Å; S410-E412 PolarHBondContact OG-OE2 3.13Å; S410-M413 WeakPolarHBondContact O-CB 3.42Å; S410-M413 PolarHBondContact O-N 2.92Å; S410-M413 PolarHBondContact OG-N 2.95Å; S410-F414 PolarHBondContact O-N 2.98Å | ||
| 411 | P | 93.5 | Very high | 86.7 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.6 | -37.4 | 173.9 | -30 | 37.7 | 0 | 0 | 0 | 114.3 | V37 E41 L42 Y45 F414 H415 | V37-P411 HydrophobicContact CG2-CG 4.29Å; E41-P411 HydrophobicContact CB-CG 3.94Å; L42-P411 HydrophobicContact CD1-CB 4.07Å; Y45-P411 VanDerWaalsContact CB-CB 3.5Å; Y45-P411 HydrophobicContact CD1-CB 3.81Å; Y45-P411 HydrophobicContact CD2-CB 3.71Å; Y45-P411 HydrophobicContact CE1-CB 4.47Å; Y45-P411 HydrophobicContact CE2-CB 4.4Å; Y45-P411 HydrophobicContact CG-CB 3.37Å; Y45-P411 HydrophobicContact CG-CG 4.22Å; P411-F414 WeakPolarHBondContact O-CB 3.34Å; P411-F414 PolarHBondContact O-N 3.41Å; P411-H415 PolarHBondContact O-CD2 3.39Å; P411-H415 PolarHBondContact O-N 3.45Å |
| 412 | E | 91.3 | Very high | 87.2 | Confident | 92 Ų | 92 | 49.6 Ų | 49.6 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.2 | -58.5 | 73.5 | -163.5 | 0 | 0 | 112.1 | Y45 S410 R416 | Y45-E412 HydrophobicContact CD2-CG 4.45Å; Y45-E412 VanDerWaalsContact CD2-OE1 3.28Å; Y45-E412 WeakPolarHBondContact CD2-OE1 3.31Å; Y45-E412 HydrophobicContact CE2-CG 3.73Å; Y45-E412 VanDerWaalsContact CE2-OE1 3.28Å; Y45-E412 WeakPolarHBondContact CE2-OE1 3.19Å; S410-E412 VanDerWaalsContact CB-OE2 3.28Å; S410-E412 WeakPolarHBondContact CB-OE2 3.48Å; S410-E412 PolarHBondContact O-N 2.78Å; S410-E412 PolarHBondContact OG-OE2 3.13Å; E412-R416 WeakPolarHBondContact O-CB 3.25Å; E412-R416 PolarHBondContact O-N 2.84Å |
| 413 | M | 88.3 | Confident | 87.6 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 176.6 | -177.1 | 64.5 | -178.9 | 0 | 0 | 110.4 | V409 S410 H415 R416 L417 | V409-M413 HydrophobicContact CB-CB 4.31Å; V409-M413 HydrophobicContact CB-CG 4.21Å; V409-M413 HydrophobicContact CG1-CG 4.41Å; S410-M413 WeakPolarHBondContact O-CB 3.42Å; S410-M413 PolarHBondContact O-N 2.92Å; S410-M413 PolarHBondContact OG-N 2.95Å; M413-H415 PolarHBondContact O-N 3.17Å; M413-R416 PolarHBondContact O-N 3.4Å; M413-R416 PolarHBondContact SD-NH1 3.35Å; M413-L417 HydrophobicContact CE-CD1 4.16Å; M413-L417 HydrophobicContact CE-CD2 3.85Å; M413-L417 HydrophobicContact CE-CG 3.97Å; M413-L417 HydrophobicContact CG-CD1 4.31Å; M413-L417 HydrophobicContact CG-CG 4.46Å; M413-L417 VanDerWaalsContact O-CG 3.31Å; M413-L417 WeakPolarHBondContact O-CG 3.3Å; M413-L417 PolarHBondContact O-N 3.48Å |
| 414 | F | 91.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 173.8 | 167.5 | -122.3 | 0 | 0 | 0 | 111.5 | V37 L42 M62 V64 R175 V409 S410 P411 R416 L417 L418 | V37-F414 HydrophobicContact CB-CB 4.2Å; V37-F414 HydrophobicContact CB-CG 4.25Å; V37-F414 HydrophobicContact CG1-CD1 4.1Å; V37-F414 HydrophobicContact CG1-CD2 4.26Å; V37-F414 HydrophobicContact CG1-CE1 4.4Å; V37-F414 HydrophobicContact CG1-CG 4.04Å; V37-F414 HydrophobicContact CG2-CB 4.22Å; V37-F414 HydrophobicContact CG2-CD1 4.47Å; V37-F414 HydrophobicContact CG2-CG 4.46Å; L42-F414 HydrophobicContact CD1-CD1 4.19Å; L42-F414 HydrophobicContact CD1-CE1 4.4Å; L42-F414 HydrophobicContact CD2-CE1 4.39Å; M62-F414 HydrophobicContact CE-CD1 4.37Å; M62-F414 HydrophobicContact CE-CE1 3.52Å; M62-F414 HydrophobicContact CE-CE2 3.88Å; M62-F414 HydrophobicContact CE-CZ 3.21Å; M62-F414 HydrophobicContact SD-CZ 4.42Å; V64-F414 HydrophobicContact CB-CD2 4.37Å; V64-F414 HydrophobicContact CG1-CD2 3.87Å; V64-F414 HydrophobicContact CG1-CE2 4.48Å; V64-F414 HydrophobicContact CG2-CD2 3.53Å; V64-F414 HydrophobicContact CG2-CE2 3.98Å; V64-F414 HydrophobicContact CG2-CG 4.39Å; R175-F414 HydrophobicContact CG-CE1 4.06Å; R175-F414 HydrophobicContact CG-CZ 4.37Å; V409-F414 HydrophobicContact CG2-CB 4.27Å; S410-F414 PolarHBondContact O-N 2.98Å; P411-F414 WeakPolarHBondContact O-CB 3.34Å; P411-F414 PolarHBondContact O-N 3.41Å; F414-R416 PolarHBondContact O-N 2.84Å; F414-L417 PolarHBondContact O-N 3.21Å; F414-L418 HydrophobicContact CD2-CD1 4.35Å; F414-L418 HydrophobicContact CD2-CG 4.27Å; F414-L418 HydrophobicContact CE1-CD1 4.03Å; F414-L418 HydrophobicContact CE2-CD1 3.66Å; F414-L418 HydrophobicContact CE2-CD2 4.16Å; F414-L418 HydrophobicContact CE2-CG 3.84Å; F414-L418 HydrophobicContact CZ-CD1 3.46Å; F414-L418 VanDerWaalsContact CZ-CD1 3.46Å; F414-L418 HydrophobicContact CZ-CG 4.18Å; F414-L418 WeakPolarHBondContact O-CG 3.23Å; F414-L418 PolarHBondContact O-N 2.85Å; F414-L418 VanDerWaalsContact O-N 3.08Å |
| 415 | H | 90.7 | Very high | 88.1 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.9 | -80.8 | -131.7 | 0 | 0 | 0 | 112.3 | Y45 R175 P411 M413 L417 L418 D419 | Y45-H415 AromaticContact CE1-CE1 3.55Å; Y45-H415 AromaticContact CE1-ND1 3.84Å; Y45-H415 AromaticContact CE1-NE2 3.76Å; R175-H415 PolarHBondContact NH1-CE1 3.41Å; R175-H415 PolarHBondContact NH1-ND1 3.08Å; R175-H415 PolarHBondContact NH1-NE2 3.4Å; P411-H415 PolarHBondContact O-CD2 3.39Å; P411-H415 PolarHBondContact O-N 3.45Å; M413-H415 PolarHBondContact O-N 3.17Å; H415-L417 PolarHBondContact O-N 3.43Å; H415-L418 PolarHBondContact O-N 3.32Å; H415-D419 VanDerWaalsContact O-CG 3.32Å; H415-D419 PolarHBondContact O-N 3.28Å |
| 416 | R | 89.1 | Confident | 88.2 | Confident | 134 Ų | 134 | 45.5 Ų | 45.5 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.4 | -173.4 | -172.8 | -57.7 | 135.7 | 5.6 | 112 | E412 M413 F414 L418 D419 E420 | E412-R416 WeakPolarHBondContact O-CB 3.25Å; E412-R416 PolarHBondContact O-N 2.84Å; M413-R416 PolarHBondContact O-N 3.4Å; M413-R416 PolarHBondContact SD-NH1 3.35Å; F414-R416 PolarHBondContact O-N 2.84Å; R416-L418 VanDerWaalsContact C-N 3.32Å; R416-L418 PolarHBondContact O-N 3.32Å; R416-D419 PolarHBondContact O-N 2.85Å; R416-E420 WeakPolarHBondContact O-CG 3.4Å; R416-E420 PolarHBondContact O-N 3.15Å |
| 417 | L | 89.8 | Confident | 88 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 178.1 | -72.2 | 175.1 | 0 | 0 | 0 | 111.5 | M35 V64 M413 F414 H415 E420 R421 | M35-L417 HydrophobicContact CE-CD1 3.89Å; M35-L417 HydrophobicContact SD-CD1 4.31Å; V64-L417 HydrophobicContact CG1-CD1 3.74Å; M413-L417 HydrophobicContact CE-CD1 4.16Å; M413-L417 HydrophobicContact CE-CD2 3.85Å; M413-L417 HydrophobicContact CE-CG 3.97Å; M413-L417 HydrophobicContact CG-CD1 4.31Å; M413-L417 HydrophobicContact CG-CG 4.46Å; M413-L417 VanDerWaalsContact O-CG 3.31Å; M413-L417 WeakPolarHBondContact O-CG 3.3Å; M413-L417 PolarHBondContact O-N 3.48Å; F414-L417 PolarHBondContact O-N 3.21Å; H415-L417 PolarHBondContact O-N 3.43Å; L417-E420 PolarHBondContact O-N 3.28Å; L417-R421 VanDerWaalsContact O-CG 3.3Å; L417-R421 WeakPolarHBondContact O-CG 3.29Å; L417-R421 PolarHBondContact O-N 3.42Å |
| 418 | L | 90.8 | Very high | 87.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 174.4 | -70.1 | -176.6 | 0 | 0 | 0 | 112.4 | V168 Y219 F414 H415 R416 R421 N422 | V168-L418 HydrophobicContact CB-CD2 4.19Å; V168-L418 HydrophobicContact CG1-CD2 3.7Å; Y219-L418 PolarHBondContact OH-O 3.23Å; F414-L418 HydrophobicContact CD2-CD1 4.35Å; F414-L418 HydrophobicContact CD2-CG 4.27Å; F414-L418 HydrophobicContact CE1-CD1 4.03Å; F414-L418 HydrophobicContact CE2-CD1 3.66Å; F414-L418 HydrophobicContact CE2-CD2 4.16Å; F414-L418 HydrophobicContact CE2-CG 3.84Å; F414-L418 HydrophobicContact CZ-CD1 3.46Å; F414-L418 VanDerWaalsContact CZ-CD1 3.46Å; F414-L418 HydrophobicContact CZ-CG 4.18Å; F414-L418 WeakPolarHBondContact O-CG 3.23Å; F414-L418 PolarHBondContact O-N 2.85Å; F414-L418 VanDerWaalsContact O-N 3.08Å; H415-L418 PolarHBondContact O-N 3.32Å; R416-L418 VanDerWaalsContact C-N 3.32Å; R416-L418 PolarHBondContact O-N 3.32Å; L418-R421 PolarHBondContact O-N 3.42Å; L418-N422 WeakPolarHBondContact O-CB 3.34Å; L418-N422 PolarHBondContact O-N 3.13Å |
| 419 | D | 88.6 | Confident | 87.1 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 177.2 | -69.5 | -21.8 | 0 | 0 | 0 | 111.3 | H415 R416 A423 | H415-D419 VanDerWaalsContact O-CG 3.32Å; H415-D419 PolarHBondContact O-N 3.28Å; R416-D419 PolarHBondContact O-N 2.85Å; D419-A423 VanDerWaalsContact O-CB 3.29Å; D419-A423 WeakPolarHBondContact O-CB 3.5Å; D419-A423 PolarHBondContact O-N 3.2Å |
| 420 | E | 88.1 | Confident | 86.5 | Confident | 77 Ų | 77 | 57 Ų | 57 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.1 | -74 | 171.2 | -175.8 | 0 | 0 | 111.8 | R416 L417 A423 A424 | R416-E420 WeakPolarHBondContact O-CG 3.4Å; R416-E420 PolarHBondContact O-N 3.15Å; L417-E420 PolarHBondContact O-N 3.28Å; E420-A423 PolarHBondContact O-N 3.27Å; E420-A424 PolarHBondContact O-N 3.13Å; E420-A424 VanDerWaalsContact O-N 3.1Å |
| 421 | R | 87.7 | Confident | 85.7 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 175.9 | -73.8 | -178.6 | 68.5 | 84.5 | 2.3 | 112.2 | S66 D67 E69 E218 L417 L418 A423 A424 V425 | S66-R421 PolarHBondContact O-NH1 2.93Å; D67-R421 HydrophobicContact CB-CG 4.32Å; E69-R421 PolarHBondContact O-NH1 3.22Å; E218-R421 IonicContact OE1-CZ 2.63Å; E218-R421 IonicContact OE1-NE 3.95Å; E218-R421 PolarHBondContact OE1-NE 3.37Å; E218-R421 IonicContact OE1-NH2 3.48Å; E218-R421 PolarHBondContact OE1-NH2 2.88Å; E218-R421 IonicContact OE2-CZ 3.56Å; E218-R421 IonicContact OE2-NE 3.02Å; E218-R421 PolarHBondContact OE2-NE 2.76Å; E218-R421 IonicContact OE2-NH2 2.69Å; L417-R421 VanDerWaalsContact O-CG 3.3Å; L417-R421 WeakPolarHBondContact O-CG 3.29Å; L417-R421 PolarHBondContact O-N 3.42Å; L418-R421 PolarHBondContact O-N 3.42Å; R421-A423 VanDerWaalsContact C-N 3.25Å; R421-A423 PolarHBondContact O-N 2.84Å; R421-A424 WeakPolarHBondContact O-CB 3.38Å; R421-A424 PolarHBondContact O-N 2.92Å; R421-V425 PolarHBondContact O-N 2.83Å |
| 422 | N | 88.6 | Confident | 84.7 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -33.7 | -179.8 | -174.4 | 75.2 | 0 | 0 | 0 | 111.6 | C217 E218 Y219 L418 A424 V425 | C217-N422 WeakPolarHBondContact CA-OD1 3.41Å; C217-N422 PolarHBondContact SG-OD1 3.42Å; C217-N422 VanDerWaalsContact SG-OD1 3.36Å; E218-N422 PolarHBondContact N-OD1 3.23Å; Y219-N422 HydrophobicContact CE2-CB 4.21Å; L418-N422 WeakPolarHBondContact O-CB 3.34Å; L418-N422 PolarHBondContact O-N 3.13Å; N422-A424 VanDerWaalsContact C-N 3.31Å; N422-A424 PolarHBondContact O-N 3.31Å; N422-V425 PolarHBondContact O-N 2.94Å |
| 423 | A | 86.9 | Confident | 83.3 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.2 | -27.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D419 E420 R421 V425 C427 | D419-A423 VanDerWaalsContact O-CB 3.29Å; D419-A423 WeakPolarHBondContact O-CB 3.5Å; D419-A423 PolarHBondContact O-N 3.2Å; E420-A423 PolarHBondContact O-N 3.27Å; R421-A423 VanDerWaalsContact C-N 3.25Å; R421-A423 PolarHBondContact O-N 2.84Å; A423-V425 VanDerWaalsContact C-N 3.33Å; A423-C427 PolarHBondContact O-SG 3.41Å; A423-C427 VanDerWaalsContact O-SG 3.36Å |
| 424 | A | 85.4 | Confident | 81.8 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -76.4 | -18.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E420 R421 N422 G426 C427 Y430 | E420-A424 PolarHBondContact O-N 3.13Å; E420-A424 VanDerWaalsContact O-N 3.1Å; R421-A424 WeakPolarHBondContact O-CB 3.38Å; R421-A424 PolarHBondContact O-N 2.92Å; N422-A424 VanDerWaalsContact C-N 3.31Å; N422-A424 PolarHBondContact O-N 3.31Å; A424-G426 PolarHBondContact O-N 3.34Å; A424-C427 VanDerWaalsContact O-CB 3.31Å; A424-C427 WeakPolarHBondContact O-CB 3.37Å; A424-C427 PolarHBondContact O-N 2.77Å; A424-Y430 HydrophobicContact CB-CD1 4.08Å; A424-Y430 HydrophobicContact CB-CD2 4.1Å; A424-Y430 HydrophobicContact CB-CE1 3.68Å; A424-Y430 HydrophobicContact CB-CE2 3.7Å; A424-Y430 HydrophobicContact CB-CG 4.28Å; A424-Y430 VanDerWaalsContact CB-CZ 3.48Å |
| 425 | V | 84.6 | Confident | 80 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 125.4 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | N215 E218 R421 N422 A423 C427 | N215-V425 WeakPolarHBondContact O-CG1 3.41Å; E218-V425 HydrophobicContact CB-CG2 3.96Å; R421-V425 PolarHBondContact O-N 2.83Å; N422-V425 PolarHBondContact O-N 2.94Å; A423-V425 VanDerWaalsContact C-N 3.33Å; V425-C427 VanDerWaalsContact C-N 3.26Å; V425-C427 PolarHBondContact O-N 3.11Å |
| 426 | G | 81.1 | Confident | 78.1 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 74% | 0.742 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A424 A428 | A424-G426 PolarHBondContact O-N 3.34Å; G426-A428 PolarHBondContact O-N 2.9Å |
| 427 | C | 80.8 | Confident | 76 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | trans | -80.2 | 114.7 | 173 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | A423 A424 V425 Y430 | A423-C427 PolarHBondContact O-SG 3.41Å; A423-C427 VanDerWaalsContact O-SG 3.36Å; A424-C427 VanDerWaalsContact O-CB 3.31Å; A424-C427 WeakPolarHBondContact O-CB 3.37Å; A424-C427 PolarHBondContact O-N 2.77Å; V425-C427 VanDerWaalsContact C-N 3.26Å; V425-C427 PolarHBondContact O-N 3.11Å; C427-Y430 HydrophobicContact CB-CD2 3.96Å; C427-Y430 HydrophobicContact CB-CG 4.38Å; C427-Y430 VanDerWaalsContact O-CB 3.26Å; C427-Y430 WeakPolarHBondContact O-CB 3.46Å | ||
| 428 | A | 76.6 | Confident | 73.7 | Confident | 96 Ų | 96 | 69.6 Ų | 69.6 | 79% | 0.793 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -140.7 | 126.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G426 | G426-A428 PolarHBondContact O-N 2.9Š|
| 429 | P | 77 | Confident | 71.4 | Confident | 142 Ų | 142 | 70.7 Ų | 70.7 | 92% | 0.922 | 44% | 0.443 | S | S | * | . | S | Bend | cis | -71.1 | 140.8 | -5.2 | 31.2 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 430 | Y | 76.2 | Confident | 69.1 | Low | 92 Ų | 92 | 71 Ų | 71 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | trans | -115.1 | 134.2 | 170.8 | -177.9 | -103.6 | 0 | 0 | 0 | 109.5 | D67 A424 C427 P432 P433 | D67-Y430 HydrophobicContact CB-CE1 4.44Å; D67-Y430 PolarHBondContact OD2-OH 3.03Å; A424-Y430 HydrophobicContact CB-CD1 4.08Å; A424-Y430 HydrophobicContact CB-CD2 4.1Å; A424-Y430 HydrophobicContact CB-CE1 3.68Å; A424-Y430 HydrophobicContact CB-CE2 3.7Å; A424-Y430 HydrophobicContact CB-CG 4.28Å; A424-Y430 VanDerWaalsContact CB-CZ 3.48Å; C427-Y430 HydrophobicContact CB-CD2 3.96Å; C427-Y430 HydrophobicContact CB-CG 4.38Å; C427-Y430 VanDerWaalsContact O-CB 3.26Å; C427-Y430 WeakPolarHBondContact O-CB 3.46Å; Y430-P432 HydrophobicContact CD1-CG 4.25Å; Y430-P432 HydrophobicContact CE1-CB 4.21Å; Y430-P432 HydrophobicContact CE1-CG 3.91Å; Y430-P433 WeakPolarHBondContact OH-CD 3.37Å | ||
| 431 | A | 73.7 | Confident | 66.9 | Low | 83 Ų | 83 | 69.5 Ų | 69.5 | 69% | 0.686 | 45% | 0.445 | S | S | * | . | trans | -121.9 | 114.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | P433 | A431-P433 WeakPolarHBondContact O-CD 3.42Š| ||
| 432 | P | 71.5 | Confident | 64.9 | Low | 51 Ų | 51 | 69.5 Ų | 69.5 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | trans | -51.9 | 124.2 | 178.6 | -27.3 | 34.2 | 0 | 0 | 0 | 110.3 | D67 L68 Y430 G434 | D67-P432 VanDerWaalsContact O-CG 3.28Å; D67-P432 WeakPolarHBondContact O-CG 3.47Å; D67-P432 WeakPolarHBondContact OD2-CA 3.23Å; D67-P432 WeakPolarHBondContact OD2-CB 3.34Å; L68-P432 HydrophobicContact CD2-CB 3.55Å; L68-P432 HydrophobicContact CD2-CG 4.24Å; L68-P432 HydrophobicContact CG-CB 4.26Å; Y430-P432 HydrophobicContact CD1-CG 4.25Å; Y430-P432 HydrophobicContact CE1-CB 4.21Å; Y430-P432 HydrophobicContact CE1-CG 3.91Å; P432-G434 PolarHBondContact O-N 3.39Å | ||
| 433 | P | 61.8 | Low | 63 | Low | 109 Ų | 109 | 69.9 Ų | 69.9 | 71% | 0.708 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -66.7 | -18.3 | 176.4 | 26.8 | -36 | 0 | 0 | 0 | 112.6 | D67 Y430 A431 | D67-P433 VanDerWaalsContact OD2-CD 3.31Å; D67-P433 WeakPolarHBondContact OD2-CD 3.42Å; Y430-P433 WeakPolarHBondContact OH-CD 3.37Å; A431-P433 WeakPolarHBondContact O-CD 3.42Å |
| 434 | G | 57.6 | Low | 61.5 | Low | 32 Ų | 32 | 70.9 Ų | 70.9 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -59.8 | 154 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P432 | P432-G434 PolarHBondContact O-N 3.39Š|
| 435 | S | 53 | Low | 60.1 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | trans | -102.6 | 135.6 | 161.6 | 168.3 | 0 | 0 | 0 | 0 | 107 | L68 F437 K438 | L68-S435 WeakPolarHBondContact CD1-O 3.44Å; S435-F437 PolarHBondContact O-N 3.2Å; S435-F437 WeakPolarHBondContact OG-CB 3.34Å; S435-F437 WeakPolarHBondContact OG-CD2 3.47Å; S435-F437 PolarHBondContact OG-N 2.84Å; S435-K438 PolarHBondContact O-N 3.39Å | ||
| 436 | I | 51.8 | Low | 59 | Low | 115 Ų | 115 | 75.6 Ų | 75.6 | 59% | 0.59 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | -26.6 | 167.4 | -59.8 | 171.8 | 0 | 0 | 0 | 110.4 | L68 S442 | L68-I436 HydrophobicContact CD2-CG1 4.45Å; I436-S442 WeakPolarHBondContact O-CB 3.18Å; I436-S442 PolarHBondContact O-OG 3.17Å |
| 437 | F | 45.1 | Very low | 58.3 | Low | 35 Ų | 35 | 72.7 Ų | 72.7 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.5 | -175.7 | -54.3 | -80.9 | 0 | 0 | 0 | 116.7 | S435 S442 C446 E849 | S435-F437 PolarHBondContact O-N 3.2Å; S435-F437 WeakPolarHBondContact OG-CB 3.34Å; S435-F437 WeakPolarHBondContact OG-CD2 3.47Å; S435-F437 PolarHBondContact OG-N 2.84Å; F437-S442 WeakPolarHBondContact CA-OG 3.34Å; F437-S442 WeakPolarHBondContact CD1-OG 3.23Å; F437-C446 WeakPolarHBondContact CD1-SG 3.36Å; F437-C446 WeakPolarHBondContact CE1-SG 3.46Å; F437-E849 HydrophobicContact CD1-CG 4.1Å; F437-E849 HydrophobicContact CD2-CG 3.49Å; F437-E849 VanDerWaalsContact CD2-CG 3.49Å; F437-E849 WeakPolarHBondContact CD2-OE1 3.45Å; F437-E849 HydrophobicContact CE1-CG 4.18Å; F437-E849 HydrophobicContact CE2-CB 4.35Å; F437-E849 VanDerWaalsContact CE2-CD 3.45Å; F437-E849 HydrophobicContact CE2-CG 3.56Å; F437-E849 HydrophobicContact CG-CG 3.75Å; F437-E849 HydrophobicContact CZ-CB 4.47Å; F437-E849 HydrophobicContact CZ-CG 3.92Å |
| 438 | K | 41.3 | Very low | 57.7 | Low | 173 Ų | 173 | 74.5 Ų | 74.5 | 75% | 0.752 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.5 | 179 | -90.2 | -172.6 | 177.7 | -177.6 | 0 | 114.1 | S435 C440 | S435-K438 PolarHBondContact O-N 3.39Å; K438-C440 PolarHBondContact O-N 3.18Å |
| 439 | N | 42.9 | Very low | 57.5 | Low | 31 Ų | 31 | 72.8 Ų | 72.8 | 17% | 0.166 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -67.8 | 125.7 | 170.3 | -69 | -10.2 | 0 | 0 | 0 | 107.8 | N441 S442 F443 | N439-N441 PolarHBondContact O-N 3.1Å; N439-S442 PolarHBondContact O-N 3.12Å; N439-F443 PolarHBondContact O-N 3.47Å |
| 440 | C | 39.6 | Very low | 57.7 | Low | 88 Ų | 88 | 66.3 Ų | 66.3 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -45.4 | -36.9 | -170 | -75.7 | 0 | 0 | 0 | 0 | 114.2 | K438 S442 F443 I444 | K438-C440 PolarHBondContact O-N 3.18Å; C440-S442 PolarHBondContact O-N 3.44Å; C440-F443 PolarHBondContact O-N 2.91Å; C440-I444 WeakPolarHBondContact O-CG1 3.4Å; C440-I444 PolarHBondContact O-N 3.42Å; C440-I444 VanDerWaalsContact O-N 3.1Å |
| 441 | N | 40.7 | Very low | 58 | Low | 46 Ų | 46 | 64.1 Ų | 64.1 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 175.8 | -80.9 | -18.8 | 0 | 0 | 0 | 114.5 | S34 Q405 S407 N439 R445 | S34-N441 PolarHBondContact O-ND2 3.16Å; Q405-N441 PolarHBondContact O-ND2 3.12Å; Q405-N441 PolarHBondContact O-OD1 3.36Å; S407-N441 PolarHBondContact N-ND2 2.72Å; S407-N441 PolarHBondContact OG-ND2 3.25Å; S407-N441 PolarHBondContact OG-OD1 3.47Å; S407-N441 VanDerWaalsContact OG-OD1 3.08Å; N439-N441 PolarHBondContact O-N 3.1Å; N441-R445 WeakPolarHBondContact O-CB 3.47Å; N441-R445 PolarHBondContact O-N 2.85Å |
| 442 | S | 46.3 | Very low | 58.3 | Low | 20 Ų | 20 | 64.6 Ų | 64.6 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.6 | -32.1 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | I436 F437 N439 C440 C446 | I436-S442 WeakPolarHBondContact O-CB 3.18Å; I436-S442 PolarHBondContact O-OG 3.17Å; F437-S442 WeakPolarHBondContact CA-OG 3.34Å; F437-S442 WeakPolarHBondContact CD1-OG 3.23Å; N439-S442 PolarHBondContact O-N 3.12Å; C440-S442 PolarHBondContact O-N 3.44Å; S442-C446 WeakPolarHBondContact O-CB 3.44Å; S442-C446 PolarHBondContact O-N 2.8Å; S442-C446 PolarHBondContact O-SG 3.41Å; S442-C446 VanDerWaalsContact O-SG 3.4Å |
| 443 | F | 50.2 | Low | 59 | Low | 53 Ų | 53 | 62.8 Ų | 62.8 | 23% | 0.232 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 172.7 | -179.5 | -95.7 | 0 | 0 | 0 | 110.9 | N439 C440 R445 C446 A447 L837 L839 M848 | N439-F443 PolarHBondContact O-N 3.47Å; C440-F443 PolarHBondContact O-N 2.91Å; F443-R445 VanDerWaalsContact C-N 3.31Å; F443-R445 PolarHBondContact O-N 3.29Å; F443-C446 PolarHBondContact O-N 3.03Å; F443-A447 WeakPolarHBondContact O-CB 3.38Å; F443-A447 PolarHBondContact O-N 3.12Å; F443-L837 VanDerWaalsContact CE1-O 3.29Å; F443-L837 WeakPolarHBondContact CE1-O 3.37Å; F443-L837 VanDerWaalsContact CZ-O 3.25Å; F443-L837 WeakPolarHBondContact CZ-O 3.28Å; F443-L839 HydrophobicContact CE2-CB 3.99Å; F443-L839 VanDerWaalsContact CE2-O 3.23Å; F443-L839 WeakPolarHBondContact CE2-O 3.34Å; F443-L839 HydrophobicContact CZ-CB 3.88Å; F443-M848 HydrophobicContact CE2-CE 3.98Å; F443-M848 HydrophobicContact CE2-SD 4.5Å; F443-M848 HydrophobicContact CZ-CE 4.42Å |
| 444 | I | 55.2 | Low | 60.2 | Low | 90 Ų | 90 | 58.1 Ų | 58.1 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 174.1 | -66.9 | 167.9 | 0 | 0 | 0 | 109.9 | C440 C446 A447 M448 | C440-I444 WeakPolarHBondContact O-CG1 3.4Å; C440-I444 PolarHBondContact O-N 3.42Å; C440-I444 VanDerWaalsContact O-N 3.1Å; I444-C446 PolarHBondContact O-N 3.13Å; I444-A447 PolarHBondContact O-N 3.4Å; I444-M448 HydrophobicContact CG2-CE 4.46Å; I444-M448 HydrophobicContact CG2-CG 4.4Å; I444-M448 HydrophobicContact CG2-SD 4.41Å; I444-M448 WeakPolarHBondContact O-CB 2.97Å; I444-M448 WeakPolarHBondContact O-CG 3.25Å; I444-M448 PolarHBondContact O-N 2.97Å |
| 445 | R | 54.8 | Low | 61.4 | Low | 156 Ų | 156 | 60.1 Ų | 60.1 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.3 | -46.2 | 175.5 | -177.6 | 176.7 | 174.1 | 168 | 2.5 | 112 | N441 F443 A447 M448 E449 | N441-R445 WeakPolarHBondContact O-CB 3.47Å; N441-R445 PolarHBondContact O-N 2.85Å; F443-R445 VanDerWaalsContact C-N 3.31Å; F443-R445 PolarHBondContact O-N 3.29Å; R445-A447 PolarHBondContact O-N 3.22Å; R445-M448 PolarHBondContact O-N 2.89Å; R445-E449 HydrophobicContact CG-CG 4.21Å; R445-E449 WeakPolarHBondContact CG-OE1 3.34Å; R445-E449 IonicContact CZ-OE1 3.74Å; R445-E449 IonicContact NE-OE1 3.9Å; R445-E449 PolarHBondContact NE-OE1 2.79Å; R445-E449 IonicContact NH2-OE1 3.21Å; R445-E449 WeakPolarHBondContact O-CB 3.3Å; R445-E449 WeakPolarHBondContact O-CG 3.48Å; R445-E449 PolarHBondContact O-N 2.95Å |
| 446 | C | 61.2 | Low | 62.9 | Low | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66 | -36.3 | 177.5 | -80.3 | 0 | 0 | 0 | 0 | 112.9 | F437 S442 F443 I444 E449 L450 M848 | F437-C446 WeakPolarHBondContact CD1-SG 3.36Å; F437-C446 WeakPolarHBondContact CE1-SG 3.46Å; S442-C446 WeakPolarHBondContact O-CB 3.44Å; S442-C446 PolarHBondContact O-N 2.8Å; S442-C446 PolarHBondContact O-SG 3.41Å; S442-C446 VanDerWaalsContact O-SG 3.4Å; F443-C446 PolarHBondContact O-N 3.03Å; I444-C446 PolarHBondContact O-N 3.13Å; C446-E449 PolarHBondContact O-N 2.87Å; C446-L450 VanDerWaalsContact O-CB 3.26Å; C446-L450 WeakPolarHBondContact O-CB 3.46Å; C446-L450 PolarHBondContact O-N 2.76Å; C446-M848 HydrophobicContact CB-CG 4.06Å; C446-M848 HydrophobicContact CB-SD 3.4Å; C446-M848 WeakPolarHBondContact CB-SD 3.3Å |
| 447 | A | 67.4 | Low | 64.6 | Low | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F443 I444 R445 L450 I451 L837 | F443-A447 WeakPolarHBondContact O-CB 3.38Å; F443-A447 PolarHBondContact O-N 3.12Å; I444-A447 PolarHBondContact O-N 3.4Å; R445-A447 PolarHBondContact O-N 3.22Å; A447-L450 WeakPolarHBondContact O-CB 3.42Å; A447-L450 PolarHBondContact O-N 2.81Å; A447-I451 WeakPolarHBondContact O-CG1 3.23Å; A447-I451 PolarHBondContact O-N 3.12Å; A447-L837 HydrophobicContact CB-CB 4.31Å; A447-L837 HydrophobicContact CB-CD1 4.4Å |
| 448 | M | 67.7 | Low | 66.3 | Low | 105 Ų | 105 | 59.5 Ų | 59.5 | 52% | 0.517 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 173 | -70.2 | -165.6 | -48 | 0 | 0 | 111.9 | I444 R445 L450 I451 N452 | I444-M448 HydrophobicContact CG2-CE 4.46Å; I444-M448 HydrophobicContact CG2-CG 4.4Å; I444-M448 HydrophobicContact CG2-SD 4.41Å; I444-M448 WeakPolarHBondContact O-CB 2.97Å; I444-M448 WeakPolarHBondContact O-CG 3.25Å; I444-M448 PolarHBondContact O-N 2.97Å; R445-M448 PolarHBondContact O-N 2.89Å; M448-L450 VanDerWaalsContact C-N 3.27Å; M448-L450 PolarHBondContact O-N 3.46Å; M448-I451 PolarHBondContact O-N 3.07Å; M448-N452 VanDerWaalsContact O-CB 3.31Å; M448-N452 WeakPolarHBondContact O-CB 3.26Å; M448-N452 VanDerWaalsContact O-CG 3.26Å; M448-N452 PolarHBondContact O-N 2.87Å; M448-N452 PolarHBondContact O-ND2 3.3Å |
| 449 | E | 71.9 | Confident | 68.1 | Low | 59 Ų | 59 | 56.1 Ų | 56.1 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 174.7 | -78 | 177.5 | -176.4 | 0 | 0 | 111.1 | R445 C446 L453 S852 | R445-E449 HydrophobicContact CG-CG 4.21Å; R445-E449 WeakPolarHBondContact CG-OE1 3.34Å; R445-E449 IonicContact CZ-OE1 3.74Å; R445-E449 IonicContact NE-OE1 3.9Å; R445-E449 PolarHBondContact NE-OE1 2.79Å; R445-E449 IonicContact NH2-OE1 3.21Å; R445-E449 WeakPolarHBondContact O-CB 3.3Å; R445-E449 WeakPolarHBondContact O-CG 3.48Å; R445-E449 PolarHBondContact O-N 2.95Å; C446-E449 PolarHBondContact O-N 2.87Å; E449-L453 WeakPolarHBondContact O-CA 3.41Å; E449-L453 WeakPolarHBondContact O-CB 3.33Å; E449-L453 PolarHBondContact O-N 2.93Å; E449-S852 WeakPolarHBondContact OE2-CB 3.23Å |
| 450 | L | 82.1 | Confident | 69.8 | Low | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 174.1 | -172.7 | 76.4 | 0 | 0 | 0 | 111.2 | C446 A447 M448 L453 R454 L837 L839 M848 L851 L904 T907 | C446-L450 VanDerWaalsContact O-CB 3.26Å; C446-L450 WeakPolarHBondContact O-CB 3.46Å; C446-L450 PolarHBondContact O-N 2.76Å; A447-L450 WeakPolarHBondContact O-CB 3.42Å; A447-L450 PolarHBondContact O-N 2.81Å; M448-L450 VanDerWaalsContact C-N 3.27Å; M448-L450 PolarHBondContact O-N 3.46Å; L450-L453 PolarHBondContact O-N 3.39Å; L450-R454 WeakPolarHBondContact O-CB 3.3Å; L450-R454 PolarHBondContact O-N 2.9Å; L450-L837 HydrophobicContact CD2-CD1 4.33Å; L450-L839 HydrophobicContact CD2-CD1 4.21Å; L450-M848 HydrophobicContact CD1-CG 4.46Å; L450-L851 HydrophobicContact CD1-CB 4.35Å; L450-L851 HydrophobicContact CD1-CD1 3.71Å; L450-L904 HydrophobicContact CD1-CD1 4.24Å; L450-L904 HydrophobicContact CD2-CD1 4.25Å; L450-T907 HydrophobicContact CD1-CG2 3.69Å; L450-T907 HydrophobicContact CG-CG2 4.39Å |
| 451 | I | 81.2 | Confident | 71.9 | Confident | 46 Ų | 46 | 54 Ų | 54 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 176.5 | -66.5 | 169.7 | 0 | 0 | 0 | 110.4 | A447 M448 R454 N455 L837 | A447-I451 WeakPolarHBondContact O-CG1 3.23Å; A447-I451 PolarHBondContact O-N 3.12Å; M448-I451 PolarHBondContact O-N 3.07Å; I451-R454 WeakPolarHBondContact O-CB 3.48Å; I451-R454 PolarHBondContact O-N 2.99Å; I451-N455 VanDerWaalsContact O-CG 3.31Å; I451-N455 PolarHBondContact O-N 3.47Å; I451-N455 PolarHBondContact O-ND2 2.78Å; I451-L837 HydrophobicContact CD1-CD1 3.73Å; I451-L837 HydrophobicContact CD1-CG 4.4Å; I451-L837 HydrophobicContact CG1-CD1 3.67Å |
| 452 | N | 80.8 | Confident | 73.7 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 177.8 | -75 | -24 | 0 | 0 | 0 | 111.4 | M448 R454 N455 L456 | M448-N452 VanDerWaalsContact O-CB 3.31Å; M448-N452 WeakPolarHBondContact O-CB 3.26Å; M448-N452 VanDerWaalsContact O-CG 3.26Å; M448-N452 PolarHBondContact O-N 2.87Å; M448-N452 PolarHBondContact O-ND2 3.3Å; N452-R454 VanDerWaalsContact C-N 3.3Å; N452-R454 PolarHBondContact O-N 2.94Å; N452-N455 PolarHBondContact O-N 3.16Å; N452-L456 WeakPolarHBondContact O-CB 3.45Å; N452-L456 VanDerWaalsContact O-CG 3.3Å; N452-L456 WeakPolarHBondContact O-CG 3.32Å; N452-L456 PolarHBondContact O-N 2.78Å |
| 453 | L | 85.8 | Confident | 75.5 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 176 | 175.8 | 59.6 | 0 | 0 | 0 | 110.9 | E449 L450 N455 L456 L457 V469 L851 I854 T907 | E449-L453 WeakPolarHBondContact O-CA 3.41Å; E449-L453 WeakPolarHBondContact O-CB 3.33Å; E449-L453 PolarHBondContact O-N 2.93Å; L450-L453 PolarHBondContact O-N 3.39Å; L453-N455 VanDerWaalsContact C-N 3.35Å; L453-N455 PolarHBondContact O-N 3.11Å; L453-L456 PolarHBondContact O-N 3.23Å; L453-L457 HydrophobicContact CD1-CD1 3.76Å; L453-L457 HydrophobicContact CD1-CD2 4.26Å; L453-L457 HydrophobicContact CD1-CG 3.74Å; L453-L457 HydrophobicContact CD2-CD1 4.37Å; L453-L457 HydrophobicContact CG-CD1 3.73Å; L453-L457 HydrophobicContact CG-CG 4.18Å; L453-L457 WeakPolarHBondContact O-CB 3.33Å; L453-L457 WeakPolarHBondContact O-CG 3.31Å; L453-L457 PolarHBondContact O-N 3.36Å; L453-V469 HydrophobicContact CD1-CG1 4.47Å; L453-L851 HydrophobicContact CD2-CB 4.15Å; L453-L851 VanDerWaalsContact CD2-O 3.26Å; L453-L851 WeakPolarHBondContact CD2-O 3.4Å; L453-I854 HydrophobicContact CD1-CG2 3.59Å; L453-I854 HydrophobicContact CD2-CG2 3.87Å; L453-I854 HydrophobicContact CG-CG2 4.4Å; L453-T907 HydrophobicContact CD2-CG2 4.24Å; L453-T907 HydrophobicContact CG-CG2 4.34Å |
| 454 | R | 86.8 | Confident | 77.3 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 177 | -177.2 | 179.4 | 178.9 | -98.5 | 12.6 | 111.7 | L450 I451 N452 L457 K458 E829 V832 T907 | L450-R454 WeakPolarHBondContact O-CB 3.3Å; L450-R454 PolarHBondContact O-N 2.9Å; I451-R454 WeakPolarHBondContact O-CB 3.48Å; I451-R454 PolarHBondContact O-N 2.99Å; N452-R454 VanDerWaalsContact C-N 3.3Å; N452-R454 PolarHBondContact O-N 2.94Å; R454-L457 PolarHBondContact O-N 3.01Å; R454-K458 VanDerWaalsContact CZ-NZ 3.29Å; R454-K458 WeakPolarHBondContact O-CB 3.34Å; R454-K458 VanDerWaalsContact O-CG 3.28Å; R454-K458 WeakPolarHBondContact O-CG 3.42Å; R454-K458 PolarHBondContact O-N 2.95Å; R454-K458 VanDerWaalsContact O-N 3.1Å; R454-E829 IonicContact CZ-OE1 3.86Å; R454-E829 IonicContact CZ-OE2 3.5Å; R454-E829 IonicContact NH1-OE1 2.71Å; R454-E829 IonicContact NH2-OE1 2.7Å; R454-E829 PolarHBondContact NH2-OE1 2.81Å; R454-E829 IonicContact NH2-OE2 3.67Å; R454-E829 PolarHBondContact NH2-OE2 2.93Å; R454-V832 VanDerWaalsContact CZ-CG1 3.49Å; R454-T907 HydrophobicContact CB-CG2 4.21Å |
| 455 | N | 84 | Confident | 78.9 | Confident | 73 Ų | 73 | 54 Ų | 54 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 176 | -68.5 | -17.1 | 0 | 0 | 0 | 110.9 | I451 N452 L453 L457 K458 C459 | I451-N455 VanDerWaalsContact O-CG 3.31Å; I451-N455 PolarHBondContact O-N 3.47Å; I451-N455 PolarHBondContact O-ND2 2.78Å; N452-N455 PolarHBondContact O-N 3.16Å; L453-N455 VanDerWaalsContact C-N 3.35Å; L453-N455 PolarHBondContact O-N 3.11Å; N455-L457 PolarHBondContact O-N 2.76Å; N455-K458 PolarHBondContact O-N 3.1Å; N455-C459 WeakPolarHBondContact O-CB 3.34Å; N455-C459 PolarHBondContact O-N 3.49Å; N455-C459 PolarHBondContact O-SG 3.49Å; N455-C459 VanDerWaalsContact O-SG 3.36Å |
| 456 | L | 84.9 | Confident | 80.6 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 175.4 | -74.2 | 170.7 | 0 | 0 | 0 | 112 | N452 L453 K458 C459 A460 | N452-L456 WeakPolarHBondContact O-CB 3.45Å; N452-L456 VanDerWaalsContact O-CG 3.3Å; N452-L456 WeakPolarHBondContact O-CG 3.32Å; N452-L456 PolarHBondContact O-N 2.78Å; L453-L456 PolarHBondContact O-N 3.23Å; L456-K458 VanDerWaalsContact C-N 3.3Å; L456-K458 PolarHBondContact O-N 3.37Å; L456-C459 PolarHBondContact O-N 3.45Å; L456-A460 WeakPolarHBondContact O-CA 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.48Å; L456-A460 PolarHBondContact O-N 2.83Å |
| 457 | L | 86.1 | Confident | 82 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -30.4 | -179.3 | -69.3 | 171.1 | 0 | 0 | 0 | 112.9 | L453 R454 N455 L465 V469 I854 T907 A910 A911 | L453-L457 HydrophobicContact CD1-CD1 3.76Å; L453-L457 HydrophobicContact CD1-CD2 4.26Å; L453-L457 HydrophobicContact CD1-CG 3.74Å; L453-L457 HydrophobicContact CD2-CD1 4.37Å; L453-L457 HydrophobicContact CG-CD1 3.73Å; L453-L457 HydrophobicContact CG-CG 4.18Å; L453-L457 WeakPolarHBondContact O-CB 3.33Å; L453-L457 WeakPolarHBondContact O-CG 3.31Å; L453-L457 PolarHBondContact O-N 3.36Å; R454-L457 PolarHBondContact O-N 3.01Å; N455-L457 PolarHBondContact O-N 2.76Å; L457-L465 HydrophobicContact CD2-CD1 3.92Å; L457-V469 HydrophobicContact CD2-CG2 4.21Å; L457-I854 HydrophobicContact CD2-CD1 4.22Å; L457-T907 HydrophobicContact CD1-CG2 4.46Å; L457-A910 HydrophobicContact CB-CB 4.26Å; L457-A910 HydrophobicContact CD1-CB 4.25Å; L457-A911 HydrophobicContact CD1-CB 3.87Å |
| 458 | K | 81.3 | Confident | 82.9 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | 174 | -77.7 | 175.7 | 171.4 | -170.6 | 0 | 112.2 | R454 N455 L456 E829 | R454-K458 VanDerWaalsContact CZ-NZ 3.29Å; R454-K458 WeakPolarHBondContact O-CB 3.34Å; R454-K458 VanDerWaalsContact O-CG 3.28Å; R454-K458 WeakPolarHBondContact O-CG 3.42Å; R454-K458 PolarHBondContact O-N 2.95Å; R454-K458 VanDerWaalsContact O-N 3.1Å; N455-K458 PolarHBondContact O-N 3.1Å; L456-K458 VanDerWaalsContact C-N 3.3Å; L456-K458 PolarHBondContact O-N 3.37Å; K458-E829 IonicContact NZ-OE1 2.86Å; K458-E829 PolarHBondContact NZ-OE1 2.89Å |
| 459 | C | 78.3 | Confident | 83.8 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 70% | 0.696 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -77.7 | -31.6 | 179.8 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | N455 L456 | N455-C459 WeakPolarHBondContact O-CB 3.34Å; N455-C459 PolarHBondContact O-N 3.49Å; N455-C459 PolarHBondContact O-SG 3.49Å; N455-C459 VanDerWaalsContact O-SG 3.36Å; L456-C459 PolarHBondContact O-N 3.45Å |
| 460 | A | 79.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | trans | -65.5 | 136.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L456 N464 L465 R919 | L456-A460 WeakPolarHBondContact O-CA 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.48Å; L456-A460 PolarHBondContact O-N 2.83Å; A460-N464 VanDerWaalsContact CA-OD1 3.27Å; A460-N464 WeakPolarHBondContact CA-OD1 3.28Å; A460-L465 HydrophobicContact CB-CD1 4.02Å; A460-R919 PolarHBondContact O-NH1 3.3Å; A460-R919 PolarHBondContact O-NH2 2.68Å | ||
| 461 | N | 83.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | trans | -111.3 | -168.9 | 172.7 | 66.2 | 35.1 | 0 | 0 | 0 | 109.7 | D463 N464 L465 | N461-D463 PolarHBondContact O-N 3.41Å; N461-D463 WeakPolarHBondContact OD1-CA 3.5Å; N461-D463 WeakPolarHBondContact OD1-CB 3.44Å; N461-D463 PolarHBondContact OD1-N 2.65Å; N461-N464 PolarHBondContact N-OD1 2.79Å; N461-N464 PolarHBondContact OD1-N 3.49Å; N461-N464 PolarHBondContact OD1-OD1 3.21Å; N461-L465 PolarHBondContact O-N 3.33Å | ||
| 462 | K | 78.4 | Confident | 84 | Confident | 114 Ų | 114 | 51.6 Ų | 51.6 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.6 | 179.6 | 60.4 | 174.5 | -175.3 | 178.7 | 0 | 113.6 | S512 R919 | K462-S512 WeakPolarHBondContact O-CB 3.46Å; K462-R919 HydrophobicContact CB-CB 4.27Å; K462-R919 HydrophobicContact CB-CG 3.94Å |
| 463 | D | 84.2 | Confident | 83.4 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -8.3 | -171.8 | -60.7 | -32.3 | 0 | 0 | 0 | 113 | N461 R511 | N461-D463 PolarHBondContact O-N 3.41Å; N461-D463 WeakPolarHBondContact OD1-CA 3.5Å; N461-D463 WeakPolarHBondContact OD1-CB 3.44Å; N461-D463 PolarHBondContact OD1-N 2.65Å; D463-R511 WeakPolarHBondContact OD1-CD 3.23Å; D463-R511 IonicContact OD1-CZ 2.81Å; D463-R511 IonicContact OD1-NE 2.66Å; D463-R511 PolarHBondContact OD1-NE 2.75Å; D463-R511 IonicContact OD1-NH2 3.53Å; D463-R511 IonicContact OD2-NH2 3.84Å |
| 464 | N | 88.1 | Confident | 82.2 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.2 | 14.1 | -179 | 69.4 | 0.8 | 0 | 0 | 0 | 114.6 | A460 N461 E467 S468 S512 | A460-N464 VanDerWaalsContact CA-OD1 3.27Å; A460-N464 WeakPolarHBondContact CA-OD1 3.28Å; N461-N464 PolarHBondContact N-OD1 2.79Å; N461-N464 PolarHBondContact OD1-N 3.49Å; N461-N464 PolarHBondContact OD1-OD1 3.21Å; N464-E467 PolarHBondContact O-N 3.4Å; N464-S468 WeakPolarHBondContact O-CB 3.4Å; N464-S468 PolarHBondContact O-N 3Å; N464-S468 PolarHBondContact O-OG 3.03Å; N464-S512 CarbonylContact C-O 3.49Å; N464-S512 WeakPolarHBondContact CA-O 3.36Å |
| 465 | L | 89.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -50.9 | -177.6 | 174.6 | 65.1 | 0 | 0 | 0 | 112.8 | L457 A460 N461 V469 S512 S914 | L457-L465 HydrophobicContact CD2-CD1 3.92Å; A460-L465 HydrophobicContact CB-CD1 4.02Å; N461-L465 PolarHBondContact O-N 3.33Å; L465-V469 HydrophobicContact CD1-CG2 3.84Å; L465-V469 WeakPolarHBondContact O-CB 3.32Å; L465-V469 VanDerWaalsContact O-CG2 3.28Å; L465-V469 WeakPolarHBondContact O-CG2 3.38Å; L465-V469 PolarHBondContact O-N 2.75Å; L465-S512 PolarHBondContact N-O 3.28Å; L465-S914 WeakPolarHBondContact CD2-O 3.5Å |
| 466 | V | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | -178.7 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | S468 C470 L472 V509 S512 A513 L858 Y862 | V466-S468 PolarHBondContact O-N 2.85Å; V466-C470 WeakPolarHBondContact O-CA 3.37Å; V466-C470 WeakPolarHBondContact O-CB 3.03Å; V466-C470 PolarHBondContact O-N 3.26Å; V466-C470 PolarHBondContact O-SG 2.98Å; V466-L472 HydrophobicContact CG1-CD1 3.92Å; V466-V509 HydrophobicContact CG2-CG2 4.31Å; V466-S512 WeakPolarHBondContact CG2-OG 3.49Å; V466-S512 PolarHBondContact N-O 3.42Å; V466-A513 HydrophobicContact CB-CB 4.29Å; V466-A513 HydrophobicContact CG1-CB 4.06Å; V466-L858 HydrophobicContact CG2-CB 4.33Å; V466-L858 HydrophobicContact CG2-CD2 4.2Å; V466-Y862 HydrophobicContact CG1-CG 4.24Å |
| 467 | E | 89.4 | Confident | 82 | Confident | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.8 | -51.7 | 175.6 | -176 | -175.9 | -162.1 | 0 | 0 | 111.6 | N464 K471 L472 S512 | N464-E467 PolarHBondContact O-N 3.4Å; E467-K471 VanDerWaalsContact O-CA 3.23Å; E467-K471 WeakPolarHBondContact O-CA 3.48Å; E467-K471 PolarHBondContact O-N 3.22Å; E467-L472 PolarHBondContact O-N 3.22Å; E467-L472 VanDerWaalsContact O-N 3.08Å; E467-S512 PolarHBondContact N-O 3.41Å |
| 468 | S | 86.7 | Confident | 82.6 | Confident | 30 Ų | 30 | 71 Ų | 71 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.9 | -44.6 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | N464 V466 | N464-S468 WeakPolarHBondContact O-CB 3.4Å; N464-S468 PolarHBondContact O-N 3Å; N464-S468 PolarHBondContact O-OG 3.03Å; V466-S468 PolarHBondContact O-N 2.85Å |
| 469 | V | 85.7 | Confident | 83.4 | Confident | 13 Ų | 13 | 66 Ų | 66 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -77.8 | -36.9 | -175.7 | 176 | 0 | 0 | 0 | 0 | 111.6 | L453 L457 L465 I854 A855 L858 | L453-V469 HydrophobicContact CD1-CG1 4.47Å; L457-V469 HydrophobicContact CD2-CG2 4.21Å; L465-V469 HydrophobicContact CD1-CG2 3.84Å; L465-V469 WeakPolarHBondContact O-CB 3.32Å; L465-V469 VanDerWaalsContact O-CG2 3.28Å; L465-V469 WeakPolarHBondContact O-CG2 3.38Å; L465-V469 PolarHBondContact O-N 2.75Å; V469-I854 HydrophobicContact CG1-CG2 3.75Å; V469-A855 HydrophobicContact CG1-CB 4.23Å; V469-L858 HydrophobicContact CB-CD1 3.93Å; V469-L858 HydrophobicContact CG1-CD1 3.7Å; V469-L858 HydrophobicContact CG2-CD1 4.39Å |
| 470 | C | 84.4 | Confident | 84.4 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -90.4 | -1.1 | 178.9 | -51 | 0 | 0 | 0 | 0 | 112.9 | V466 L472 L859 | V466-C470 WeakPolarHBondContact O-CA 3.37Å; V466-C470 WeakPolarHBondContact O-CB 3.03Å; V466-C470 PolarHBondContact O-N 3.26Å; V466-C470 PolarHBondContact O-SG 2.98Å; C470-L472 HydrophobicContact CB-CD2 3.98Å; C470-L472 HydrophobicContact CB-CG 4.01Å; C470-L472 PolarHBondContact O-N 3.37Å; C470-L859 HydrophobicContact CB-CD1 4.43Å |
| 471 | K | 79 | Confident | 85.3 | Confident | 171 Ų | 171 | 61.1 Ų | 61.1 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 43.9 | -177.7 | -58 | 178.3 | 179.7 | 178.4 | 0 | 112.2 | E467 K473 | E467-K471 VanDerWaalsContact O-CA 3.23Å; E467-K471 WeakPolarHBondContact O-CA 3.48Å; E467-K471 PolarHBondContact O-N 3.22Å; K471-K473 PolarHBondContact O-N 2.96Å |
| 472 | L | 77.7 | Confident | 86 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | trans | -65.5 | 128.4 | -179.8 | -60.1 | -177.8 | 0 | 0 | 0 | 109.4 | V466 E467 C470 A513 L859 Y862 | V466-L472 HydrophobicContact CG1-CD1 3.92Å; E467-L472 PolarHBondContact O-N 3.22Å; E467-L472 VanDerWaalsContact O-N 3.08Å; C470-L472 HydrophobicContact CB-CD2 3.98Å; C470-L472 HydrophobicContact CB-CG 4.01Å; C470-L472 PolarHBondContact O-N 3.37Å; L472-A513 HydrophobicContact CD1-CB 3.88Å; L472-L859 HydrophobicContact CD2-CD1 3.9Å; L472-Y862 HydrophobicContact CD1-CD1 4.23Å; L472-Y862 HydrophobicContact CD1-CE1 4.01Å | ||
| 473 | K | 67.1 | Low | 86.9 | Confident | 210 Ų | 210 | 52.6 Ų | 52.6 | 91% | 0.913 | 27% | 0.267 | S | S | * | . | trans | -102.2 | 8.6 | 175.1 | -65 | -173.9 | 179.3 | 179.3 | 0 | 113 | K471 | K471-K473 PolarHBondContact O-N 2.96Š| ||
| 474 | S | 60.6 | Low | 87.4 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 42% | 0.42 | 26% | 0.255 | S | S | . | . | trans | -67.1 | 144.4 | -175 | 52.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 475 | G | 72.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | trans | -56.9 | 152.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L477 | G475-L477 PolarHBondContact O-N 2.92Š| ||
| 476 | K | 86 | Confident | 88 | Confident | 167 Ų | 167 | 49.8 Ų | 49.8 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | trans | -74.7 | 111 | 178.5 | -62.3 | -171.2 | 177.4 | 179.3 | 0 | 110.1 | G514 | K476-G514 WeakPolarHBondContact CG-O 3.36Š| ||
| 477 | L | 94.1 | Very high | 88 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | trans | -86.6 | 153.6 | 174.5 | -58 | 178.4 | 0 | 0 | 0 | 111.5 | G475 L479 H515 N516 D686 | G475-L477 PolarHBondContact O-N 2.92Å; L477-L479 HydrophobicContact CB-CD2 3.76Å; L477-L479 HydrophobicContact CB-CG 4.07Å; L477-L479 HydrophobicContact CD1-CD2 4.25Å; L477-H515 PolarHBondContact N-ND1 2.83Å; L477-N516 PolarHBondContact O-N 3.3Å; L477-D686 VanDerWaalsContact CA-OD2 3.28Å; L477-D686 WeakPolarHBondContact CA-OD2 3.44Å; L477-D686 HydrophobicContact CB-CB 4.22Å; L477-D686 WeakPolarHBondContact CB-OD2 3.21Å; L477-D686 HydrophobicContact CD2-CB 4.2Å | ||
| 478 | R | 97.4 | Very high | 88 | Confident | 107 Ų | 107 | 49 Ų | 49 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.8 | 167.2 | -65.1 | -179.1 | -67.3 | -163.8 | 1.5 | 108.9 | N516 Q684 P685 D686 | R478-N516 CarbonylContact C-O 3.47Å; R478-N516 WeakPolarHBondContact CA-O 2.99Å; R478-Q684 VanDerWaalsContact CZ-O 3.23Å; R478-Q684 PolarHBondContact NE-O 3.34Å; R478-Q684 VanDerWaalsContact NE-O 3.12Å; R478-Q684 PolarHBondContact NH2-O 2.85Å; R478-P685 CarbonylContact O-C 3.51Å; R478-P685 WeakPolarHBondContact O-CA 3.12Å; R478-D686 PolarHBondContact N-OD2 2.86Å; R478-D686 PolarHBondContact O-N 3.29Å |
| 479 | L | 98.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.1 | -174.1 | -52.2 | 177.7 | 0 | 0 | 0 | 110 | L477 L510 H515 N516 V517 T518 D686 K687 Y689 | L477-L479 HydrophobicContact CB-CD2 3.76Å; L477-L479 HydrophobicContact CB-CG 4.07Å; L477-L479 HydrophobicContact CD1-CD2 4.25Å; L479-L510 HydrophobicContact CD1-CB 4.07Å; L479-L510 HydrophobicContact CD1-CD1 4.19Å; L479-L510 HydrophobicContact CD1-CD2 3.98Å; L479-L510 HydrophobicContact CD1-CG 4.31Å; L479-H515 HydrophobicContact CD1-CB 3.66Å; L479-H515 VanDerWaalsContact CD1-CD2 3.48Å; L479-H515 WeakPolarHBondContact CD1-CD2 3.22Å; L479-H515 HydrophobicContact CG-CB 4.22Å; L479-N516 PolarHBondContact N-O 3.13Å; L479-V517 HydrophobicContact CB-CG1 4.39Å; L479-V517 HydrophobicContact CB-CG2 4.34Å; L479-V517 HydrophobicContact CD1-CG2 4.4Å; L479-V517 CarbonylContact O-C 3.58Å; L479-V517 VanDerWaalsContact O-CA 3.3Å; L479-V517 WeakPolarHBondContact O-CA 3.49Å; L479-T518 PolarHBondContact O-N 3.3Å; L479-D686 HydrophobicContact CD2-CB 4.48Å; L479-K687 WeakPolarHBondContact CA-O 3.34Å; L479-K687 HydrophobicContact CD2-CB 3.84Å; L479-K687 HydrophobicContact CD2-CD 4.47Å; L479-K687 HydrophobicContact CD2-CG 4.17Å; L479-Y689 HydrophobicContact CD1-CE2 4.37Å; L479-Y689 HydrophobicContact CD2-CE2 4.34Å |
| 480 | I | 98.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.2 | 169 | -66 | 175.2 | 0 | 0 | 0 | 108.5 | T518 I520 R679 Y683 P685 K687 I688 Y689 | I480-T518 WeakPolarHBondContact CA-O 3.3Å; I480-I520 HydrophobicContact CD1-CD1 4.25Å; I480-I520 HydrophobicContact CG2-CD1 3.62Å; I480-I520 HydrophobicContact CG2-CG1 4.07Å; I480-R679 HydrophobicContact CD1-CB 4.12Å; I480-R679 HydrophobicContact CD1-CG 4.47Å; I480-Y683 HydrophobicContact CD1-CD2 3.73Å; I480-Y683 HydrophobicContact CD1-CG 3.97Å; I480-P685 HydrophobicContact CD1-CB 3.96Å; I480-P685 HydrophobicContact CD1-CG 3.88Å; I480-P685 HydrophobicContact CG1-CB 4.04Å; I480-P685 HydrophobicContact CG1-CG 4.5Å; I480-K687 PolarHBondContact N-O 3.47Å; I480-I688 HydrophobicContact CB-CB 4.44Å; I480-I688 HydrophobicContact CB-CG1 4.4Å; I480-I688 HydrophobicContact CB-CG2 4.03Å; I480-I688 HydrophobicContact CD1-CG1 4.36Å; I480-I688 HydrophobicContact CG2-CG2 3.93Å; I480-Y689 PolarHBondContact O-N 2.82Å |
| 481 | V | 98.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 107.3 | 167.8 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | Y483 A506 L510 V517 T518 A519 I520 Y689 V691 | V481-Y483 HydrophobicContact CG1-CD1 4Å; V481-A506 HydrophobicContact CG1-CB 4Å; V481-L510 HydrophobicContact CG2-CD1 3.75Å; V481-V517 HydrophobicContact CB-CG1 4.48Å; V481-V517 HydrophobicContact CG2-CG1 3.68Å; V481-T518 PolarHBondContact N-O 2.91Å; V481-A519 WeakPolarHBondContact O-CA 3.47Å; V481-I520 PolarHBondContact O-N 3.23Å; V481-Y689 CarbonylContact C-O 3.58Å; V481-Y689 WeakPolarHBondContact CA-O 3.27Å; V481-Y689 HydrophobicContact CG2-CD2 4.32Å; V481-V691 HydrophobicContact CG1-CG2 3.88Å |
| 482 | E | 98.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.9 | 171.3 | -166.2 | -158.8 | 113.8 | 0 | 0 | 109.6 | S485 I520 Y522 R679 Y689 Y690 V691 | E482-S485 PolarHBondContact OE1-OG 2.85Å; E482-I520 WeakPolarHBondContact CA-O 3.33Å; E482-I520 HydrophobicContact CG-CB 4.47Å; E482-I520 HydrophobicContact CG-CG2 4.43Å; E482-Y522 VanDerWaalsContact CD-CB 3.49Å; E482-R679 IonicContact OE2-CZ 3.8Å; E482-R679 IonicContact OE2-NH1 3.25Å; E482-R679 PolarHBondContact OE2-NH1 3.19Å; E482-R679 IonicContact OE2-NH2 3.71Å; E482-R679 PolarHBondContact OE2-NH2 3.31Å; E482-Y689 PolarHBondContact N-O 3.26Å; E482-Y690 HydrophobicContact CB-CD1 4.19Å; E482-Y690 WeakPolarHBondContact OE2-CE1 3.3Å; E482-V691 PolarHBondContact O-N 3.47Å |
| 483 | Y | 97.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 169.2 | -177.9 | 73.3 | -79.9 | 0 | 0 | 0 | 112.9 | V481 S485 T500 R504 A519 I520 A612 H613 F614 | V481-Y483 HydrophobicContact CG1-CD1 4Å; Y483-S485 PolarHBondContact O-N 3.35Å; Y483-T500 HydrophobicContact CE2-CG2 4.39Å; Y483-T500 WeakPolarHBondContact CE2-O 3.44Å; Y483-R504 HydrophobicContact CE2-CB 4.23Å; Y483-A519 HydrophobicContact CE1-CB 3.95Å; Y483-I520 PolarHBondContact N-O 3.21Å; Y483-A612 HydrophobicContact CE2-CB 4.35Å; Y483-H613 PolarHBondContact OH-N 3.05Å; Y483-H613 PolarHBondContact OH-O 3.35Å; Y483-F614 HydrophobicContact CD1-CD1 4.41Å; Y483-F614 AromaticContact CD1-CE1 3.79Å; Y483-F614 HydrophobicContact CD1-CE1 3.79Å; Y483-F614 AromaticContact CD2-CE1 3.99Å; Y483-F614 HydrophobicContact CD2-CE1 3.99Å; Y483-F614 HydrophobicContact CD2-CZ 4.14Å; Y483-F614 AromaticContact CE1-CD1 3.78Å; Y483-F614 HydrophobicContact CE1-CD1 3.78Å; Y483-F614 AromaticContact CE1-CE1 3.36Å; Y483-F614 HydrophobicContact CE1-CE1 3.36Å; Y483-F614 HydrophobicContact CE1-CZ 4.19Å; Y483-F614 AromaticContact CE2-CE1 3.59Å; Y483-F614 HydrophobicContact CE2-CE1 3.59Å; Y483-F614 AromaticContact CE2-CZ 3.57Å; Y483-F614 HydrophobicContact CE2-CZ 3.57Å; Y483-F614 HydrophobicContact CG-CE1 4.07Å; Y483-F614 AromaticContact CZ-CD1 3.88Å; Y483-F614 AromaticContact CZ-CE1 3.24Å; Y483-F614 AromaticContact CZ-CZ 3.59Å |
| 484 | S | 96.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | trans | 70.1 | -62.8 | -169.6 | -156.7 | 0 | 0 | 0 | 0 | 112.7 | P486 S499 T500 Y607 | S484-P486 VanDerWaalsContact C-N 3.29Å; S484-P486 WeakPolarHBondContact O-CD 3.29Å; S484-S499 WeakPolarHBondContact CA-OG 3.42Å; S484-S499 PolarHBondContact N-OG 2.99Å; S484-T500 PolarHBondContact OG-OG1 2.73Å; S484-Y607 WeakPolarHBondContact OG-CE1 3.47Å; S484-Y607 PolarHBondContact OG-OH 3.49Å | ||
| 485 | S | 95 | Very high | 90.3 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | trans | 33.2 | 50.3 | 175.3 | -55.8 | 0 | 0 | 0 | 0 | 115.1 | E482 Y483 N521 Y522 | E482-S485 PolarHBondContact OE1-OG 2.85Å; Y483-S485 PolarHBondContact O-N 3.35Å; S485-N521 PolarHBondContact N-OD1 3.48Å; S485-Y522 CarbonylContact C-O 3.59Å; S485-Y522 WeakPolarHBondContact CA-O 3.36Å; S485-Y522 WeakPolarHBondContact CB-O 3.27Å; S485-Y522 PolarHBondContact OG-N 3.27Å; S485-Y522 PolarHBondContact OG-O 2.98Å | ||
| 486 | P | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | trans | -75.3 | 158.1 | -176.5 | 34.4 | -38 | 0 | 0 | 0 | 111.2 | S484 F492 N521 L523 G524 L603 Y607 | S484-P486 VanDerWaalsContact C-N 3.29Å; S484-P486 WeakPolarHBondContact O-CD 3.29Å; P486-F492 HydrophobicContact CB-CD2 4.24Å; P486-F492 HydrophobicContact CB-CE2 4.39Å; P486-F492 HydrophobicContact CG-CD2 4.42Å; P486-F492 HydrophobicContact CG-CE2 4.4Å; P486-N521 WeakPolarHBondContact CD-OD1 3.35Å; P486-L523 HydrophobicContact CG-CD2 4.05Å; P486-G524 PolarHBondContact O-N 2.82Å; P486-L603 HydrophobicContact CG-CD1 3.71Å; P486-L603 HydrophobicContact CG-CD2 3.95Å; P486-Y607 WeakPolarHBondContact CD-OH 3.48Å; P486-Y607 WeakPolarHBondContact CG-OH 3.34Å | ||
| 487 | N | 90.3 | Very high | 91.3 | Very high | 31 Ų | 31 | 28 Ų | 28 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 118.9 | 163.9 | -175.3 | -39.5 | 0 | 0 | 0 | 109.7 | A489 K490 G524 Q529 | N487-A489 PolarHBondContact O-N 3.21Å; N487-A489 VanDerWaalsContact OD1-CB 3.27Å; N487-A489 WeakPolarHBondContact OD1-CB 3.43Å; N487-A489 PolarHBondContact OD1-N 3.08Å; N487-K490 HydrophobicContact CB-CD 4.48Å; N487-K490 HydrophobicContact CB-CG 4.45Å; N487-K490 PolarHBondContact O-N 2.98Å; N487-G524 CarbonylContact C-O 3.57Å; N487-G524 WeakPolarHBondContact CA-O 3.48Å; N487-G524 PolarHBondContact OD1-O 3.28Å; N487-Q529 PolarHBondContact ND2-NE2 3.43Å; N487-Q529 PolarHBondContact ND2-OE1 3.33Å |
| 488 | I | 89.7 | Confident | 91.2 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 8% | 0.077 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.4 | -173.5 | -51 | 178.4 | 0 | 0 | 0 | 111.8 | K490 L523 G524 D525 G599 V600 L603 | I488-K490 PolarHBondContact O-N 2.8Å; I488-L523 HydrophobicContact CD1-CB 3.73Å; I488-L523 HydrophobicContact CD1-CD1 3.67Å; I488-L523 HydrophobicContact CD1-CG 4.28Å; I488-L523 HydrophobicContact CG1-CB 3.9Å; I488-L523 HydrophobicContact CG1-CD1 4.24Å; I488-L523 HydrophobicContact CG1-CG 4.49Å; I488-G524 PolarHBondContact N-O 3.25Å; I488-D525 HydrophobicContact CD1-CB 3.74Å; I488-D525 HydrophobicContact CG1-CB 4.48Å; I488-G599 VanDerWaalsContact CG2-CA 3.48Å; I488-V600 HydrophobicContact CD1-CG2 3.86Å; I488-L603 HydrophobicContact CG1-CD1 4.48Å |
| 489 | A | 83.4 | Confident | 91.1 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N487 Q529 F530 I533 | N487-A489 PolarHBondContact O-N 3.21Å; N487-A489 VanDerWaalsContact OD1-CB 3.27Å; N487-A489 WeakPolarHBondContact OD1-CB 3.43Å; N487-A489 PolarHBondContact OD1-N 3.08Å; A489-Q529 HydrophobicContact CB-CB 4.21Å; A489-Q529 HydrophobicContact CB-CG 3.71Å; A489-F530 HydrophobicContact CB-CE1 4.13Å; A489-F530 HydrophobicContact CB-CE2 4.17Å; A489-F530 HydrophobicContact CB-CZ 3.92Å; A489-I533 HydrophobicContact CB-CD1 3.7Å |
| 490 | K | 83.7 | Confident | 91.1 | Very high | 101 Ų | 101 | 20.4 Ų | 20.4 | 44% | 0.439 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -108.6 | 140 | 178.9 | -64.8 | -175.8 | -177.7 | 176.6 | 0 | 110.4 | N487 I488 | N487-K490 HydrophobicContact CB-CD 4.48Å; N487-K490 HydrophobicContact CB-CG 4.45Å; N487-K490 PolarHBondContact O-N 2.98Å; I488-K490 PolarHBondContact O-N 2.8Å |
| 491 | P | 84.3 | Confident | 90.9 | Very high | 53 Ų | 53 | 20.4 Ų | 20.4 | 34% | 0.344 | 12% | 0.118 | S | C | . | . | trans | -66.6 | 148.4 | 177.4 | 31 | -36.6 | 0 | 0 | 0 | 111 | H493 A556 L739 | P491-H493 PolarHBondContact O-N 3.31Å; P491-A556 HydrophobicContact CB-CB 4.38Å; P491-A556 HydrophobicContact CG-CB 4.15Å; P491-L739 HydrophobicContact CB-CD2 3.64Å; P491-L739 HydrophobicContact CG-CD2 3.93Å | ||
| 492 | F | 88.4 | Confident | 90.8 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | trans | -72.1 | 95.5 | -174.4 | -163.8 | -96 | 0 | 0 | 0 | 111.8 | P486 H496 T500 L603 I606 Y607 L610 V740 | P486-F492 HydrophobicContact CB-CD2 4.24Å; P486-F492 HydrophobicContact CB-CE2 4.39Å; P486-F492 HydrophobicContact CG-CD2 4.42Å; P486-F492 HydrophobicContact CG-CE2 4.4Å; F492-H496 HydrophobicContact CD2-CB 3.81Å; F492-H496 HydrophobicContact CE1-CB 4.2Å; F492-H496 HydrophobicContact CE2-CB 3.36Å; F492-H496 HydrophobicContact CG-CB 4.42Å; F492-H496 HydrophobicContact CZ-CB 3.58Å; F492-T500 WeakPolarHBondContact CZ-OG1 3.33Å; F492-L603 HydrophobicContact CB-CD2 4.07Å; F492-L603 HydrophobicContact CD2-CD2 3.37Å; F492-L603 HydrophobicContact CE2-CD2 4.08Å; F492-L603 HydrophobicContact CG-CD2 4Å; F492-I606 HydrophobicContact CB-CD1 3.7Å; F492-I606 HydrophobicContact CD1-CD1 4.14Å; F492-I606 HydrophobicContact CD1-CG2 3.76Å; F492-I606 HydrophobicContact CE1-CG2 3.82Å; F492-I606 HydrophobicContact CG-CD1 4.11Å; F492-I606 HydrophobicContact CG-CG2 4.49Å; F492-Y607 HydrophobicContact CE2-CE1 4.01Å; F492-Y607 HydrophobicContact CZ-CE1 4.11Å; F492-L610 HydrophobicContact CE1-CD1 4.13Å; F492-V740 HydrophobicContact CD1-CB 3.82Å; F492-V740 HydrophobicContact CD1-CG1 4.41Å; F492-V740 HydrophobicContact CD1-CG2 3.53Å; F492-V740 HydrophobicContact CE1-CB 4.21Å; F492-V740 HydrophobicContact CE1-CG1 4.4Å; F492-V740 HydrophobicContact CE1-CG2 3.73Å; F492-V740 PolarHBondContact O-N 3.21Å | ||
| 493 | H | 85.6 | Confident | 90.7 | Very high | 66 Ų | 66 | 20.2 Ų | 20.2 | 31% | 0.306 | 12% | 0.117 | S | C | . | . | B | Isolated β-bridge | trans | -95.2 | 169.8 | -178.4 | 66.4 | 49.4 | 0 | 0 | 0 | 113.9 | P491 G495 H496 V738 | P491-H493 PolarHBondContact O-N 3.31Å; H493-G495 WeakPolarHBondContact ND1-CA 3.38Å; H493-G495 PolarHBondContact ND1-N 3.47Å; H493-G495 PolarHBondContact O-N 2.96Å; H493-H496 AromaticContact CD2-CE1 3.73Å; H493-H496 AromaticContact CD2-ND1 3.97Å; H493-H496 AromaticContact CE1-CE1 3.39Å; H493-H496 PolarHBondContact CE1-CE1 2.99Å; H493-H496 AromaticContact CE1-ND1 3.47Å; H493-H496 PolarHBondContact CE1-ND1 3.05Å; H493-H496 AromaticContact CE1-NE2 3.88Å; H493-H496 AromaticContact CG-ND1 3.83Å; H493-H496 AromaticContact ND1-CE1 3.84Å; H493-H496 AromaticContact ND1-ND1 3.49Å; H493-H496 PolarHBondContact ND1-ND1 3.33Å; H493-H496 AromaticContact NE2-CE1 3.31Å; H493-H496 PolarHBondContact NE2-CE1 3.36Å; H493-H496 VanDerWaalsContact NE2-CE1 3.31Å; H493-H496 AromaticContact NE2-ND1 3.78Å; H493-H496 AromaticContact NE2-NE2 3.95Å; H493-H496 PolarHBondContact O-N 3.46Å; H493-V738 WeakPolarHBondContact CA-O 3.47Å; H493-V738 WeakPolarHBondContact CB-O 2.95Å |
| 494 | V | 84.1 | Confident | 90.6 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.3 | -27.9 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 114.8 | H496 L497 I727 T730 V738 L743 | V494-H496 VanDerWaalsContact C-N 3.31Å; V494-H496 PolarHBondContact O-N 3.5Å; V494-L497 HydrophobicContact CG1-CD2 4.32Å; V494-L497 VanDerWaalsContact O-CB 3.28Å; V494-L497 WeakPolarHBondContact O-CB 3.29Å; V494-L497 PolarHBondContact O-N 2.86Å; V494-I727 HydrophobicContact CG1-CB 3.96Å; V494-I727 HydrophobicContact CG1-CD1 3.55Å; V494-I727 HydrophobicContact CG1-CG1 4.09Å; V494-I727 HydrophobicContact CG1-CG2 4.4Å; V494-T730 HydrophobicContact CB-CG2 4.21Å; V494-T730 HydrophobicContact CG1-CG2 3.69Å; V494-T730 HydrophobicContact CG2-CG2 4.18Å; V494-V738 HydrophobicContact CG2-CB 4.01Å; V494-V738 HydrophobicContact CG2-CG1 4.26Å; V494-V738 WeakPolarHBondContact CG2-O 3.26Å; V494-V738 PolarHBondContact N-O 3.08Å; V494-V738 VanDerWaalsContact N-O 3.1Å; V494-L743 HydrophobicContact CG2-CD2 3.82Å |
| 495 | G | 79.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 20 Ų | 20 | 47% | 0.474 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -56.4 | -39.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H493 | H493-G495 WeakPolarHBondContact ND1-CA 3.38Å; H493-G495 PolarHBondContact ND1-N 3.47Å; H493-G495 PolarHBondContact O-N 2.96Å |
| 496 | H | 88.4 | Confident | 90.7 | Very high | 31 Ų | 31 | 18.7 Ų | 18.7 | 14% | 0.144 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -76 | -28.3 | 177.9 | -55.3 | 116.1 | 0 | 0 | 0 | 112.2 | F492 H493 V494 R498 S499 T500 | F492-H496 HydrophobicContact CD2-CB 3.81Å; F492-H496 HydrophobicContact CE1-CB 4.2Å; F492-H496 HydrophobicContact CE2-CB 3.36Å; F492-H496 HydrophobicContact CG-CB 4.42Å; F492-H496 HydrophobicContact CZ-CB 3.58Å; H493-H496 AromaticContact CD2-CE1 3.73Å; H493-H496 AromaticContact CD2-ND1 3.97Å; H493-H496 AromaticContact CE1-CE1 3.39Å; H493-H496 PolarHBondContact CE1-CE1 2.99Å; H493-H496 AromaticContact CE1-ND1 3.47Å; H493-H496 PolarHBondContact CE1-ND1 3.05Å; H493-H496 AromaticContact CE1-NE2 3.88Å; H493-H496 AromaticContact CG-ND1 3.83Å; H493-H496 AromaticContact ND1-CE1 3.84Å; H493-H496 AromaticContact ND1-ND1 3.49Å; H493-H496 PolarHBondContact ND1-ND1 3.33Å; H493-H496 AromaticContact NE2-CE1 3.31Å; H493-H496 PolarHBondContact NE2-CE1 3.36Å; H493-H496 VanDerWaalsContact NE2-CE1 3.31Å; H493-H496 AromaticContact NE2-ND1 3.78Å; H493-H496 AromaticContact NE2-NE2 3.95Å; H493-H496 PolarHBondContact O-N 3.46Å; V494-H496 VanDerWaalsContact C-N 3.31Å; V494-H496 PolarHBondContact O-N 3.5Å; H496-R498 VanDerWaalsContact C-N 3.3Å; H496-R498 PolarHBondContact O-N 3.35Å; H496-S499 PolarHBondContact O-N 3.41Å; H496-T500 PolarHBondContact O-N 3.27Å; H496-T500 PolarHBondContact O-OG1 3.44Å |
| 497 | L | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53 | -45.7 | 179.9 | 176.7 | 68.3 | 0 | 0 | 0 | 112.3 | V494 T500 L501 L610 I727 V740 L743 L780 | V494-L497 HydrophobicContact CG1-CD2 4.32Å; V494-L497 VanDerWaalsContact O-CB 3.28Å; V494-L497 WeakPolarHBondContact O-CB 3.29Å; V494-L497 PolarHBondContact O-N 2.86Å; L497-T500 PolarHBondContact O-N 3.47Å; L497-L501 HydrophobicContact CD1-CD1 3.96Å; L497-L501 HydrophobicContact CD1-CD2 4.36Å; L497-L501 HydrophobicContact CD1-CG 3.93Å; L497-L501 HydrophobicContact CD2-CD1 4.49Å; L497-L501 HydrophobicContact CG-CD1 3.97Å; L497-L501 HydrophobicContact CG-CG 4.22Å; L497-L501 WeakPolarHBondContact O-CG 3.47Å; L497-L501 PolarHBondContact O-N 2.91Å; L497-L610 HydrophobicContact CD1-CD1 3.87Å; L497-L610 HydrophobicContact CD1-CD2 3.74Å; L497-L610 HydrophobicContact CD1-CG 4.49Å; L497-I727 HydrophobicContact CD2-CD1 4.38Å; L497-V740 HydrophobicContact CB-CG2 3.94Å; L497-V740 HydrophobicContact CD1-CG1 4.08Å; L497-L743 HydrophobicContact CD2-CD2 4.18Å; L497-L780 HydrophobicContact CD1-CD2 4.33Å; L497-L780 HydrophobicContact CD2-CD1 3.97Å; L497-L780 HydrophobicContact CD2-CD2 3.75Å; L497-L780 HydrophobicContact CD2-CG 4.1Å |
| 498 | R | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | -178.7 | -67.9 | -162.5 | 87.4 | 175.9 | 3.6 | 112 | H496 T500 L501 M502 F724 G725 I727 D784 R789 I791 | H496-R498 VanDerWaalsContact C-N 3.3Å; H496-R498 PolarHBondContact O-N 3.35Å; R498-T500 VanDerWaalsContact C-N 3.28Å; R498-T500 PolarHBondContact O-N 3.42Å; R498-L501 PolarHBondContact O-N 3.36Å; R498-M502 WeakPolarHBondContact O-CB 3.26Å; R498-M502 PolarHBondContact O-N 2.94Å; R498-F724 HydrophobicContact CB-CD2 3.69Å; R498-F724 HydrophobicContact CB-CE2 3.52Å; R498-F724 HydrophobicContact CB-CZ 4.2Å; R498-F724 HydrophobicContact CG-CD2 4.48Å; R498-F724 HydrophobicContact CG-CE2 4.5Å; R498-G725 WeakPolarHBondContact CD-O 3.48Å; R498-G725 PolarHBondContact NH1-O 3.35Å; R498-I727 VanDerWaalsContact CD-CG1 3.48Å; R498-I727 HydrophobicContact CG-CD1 3.56Å; R498-I727 HydrophobicContact CG-CG1 3.56Å; R498-D784 IonicContact CZ-OD1 3.62Å; R498-D784 IonicContact NE-OD1 2.77Å; R498-D784 PolarHBondContact NE-OD1 3.24Å; R498-D784 IonicContact NH2-OD1 3.23Å; R498-D784 PolarHBondContact NH2-OD1 2.67Å; R498-R789 PolarHBondContact NH1-O 2.83Å; R498-R789 PolarHBondContact NH2-O 3.05Å; R498-I791 PolarHBondContact NH1-O 2.94Å |
| 499 | S | 95.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 6% | 0.063 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | S484 H496 G503 V691 | S484-S499 WeakPolarHBondContact CA-OG 3.42Å; S484-S499 PolarHBondContact N-OG 2.99Å; H496-S499 PolarHBondContact O-N 3.41Å; S499-G503 WeakPolarHBondContact O-CA 3.44Å; S499-G503 PolarHBondContact O-N 3.34Å; S499-V691 PolarHBondContact OG-O 3.41Å |
| 500 | T | 96.5 | Very high | 92 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 177.2 | -47 | 0 | 0 | 0 | 0 | 113.1 | Y483 S484 F492 H496 L497 R498 R504 Y607 L610 A612 | Y483-T500 HydrophobicContact CE2-CG2 4.39Å; Y483-T500 WeakPolarHBondContact CE2-O 3.44Å; S484-T500 PolarHBondContact OG-OG1 2.73Å; F492-T500 WeakPolarHBondContact CZ-OG1 3.33Å; H496-T500 PolarHBondContact O-N 3.27Å; H496-T500 PolarHBondContact O-OG1 3.44Å; L497-T500 PolarHBondContact O-N 3.47Å; R498-T500 VanDerWaalsContact C-N 3.28Å; R498-T500 PolarHBondContact O-N 3.42Å; T500-R504 WeakPolarHBondContact O-CB 3.31Å; T500-R504 PolarHBondContact O-N 2.97Å; T500-Y607 HydrophobicContact CG2-CD1 4Å; T500-Y607 HydrophobicContact CG2-CE1 4.05Å; T500-L610 HydrophobicContact CG2-CD1 4Å; T500-A612 HydrophobicContact CG2-CB 3.67Å |
| 501 | L | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.4 | -46.1 | -179 | -66.7 | -176.1 | 0 | 0 | 0 | 111.6 | L497 R498 F505 I781 F785 | L497-L501 HydrophobicContact CD1-CD1 3.96Å; L497-L501 HydrophobicContact CD1-CD2 4.36Å; L497-L501 HydrophobicContact CD1-CG 3.93Å; L497-L501 HydrophobicContact CD2-CD1 4.49Å; L497-L501 HydrophobicContact CG-CD1 3.97Å; L497-L501 HydrophobicContact CG-CG 4.22Å; L497-L501 WeakPolarHBondContact O-CG 3.47Å; L497-L501 PolarHBondContact O-N 2.91Å; R498-L501 PolarHBondContact O-N 3.36Å; L501-F505 PolarHBondContact O-N 2.87Å; L501-I781 HydrophobicContact CD1-CG1 4.27Å; L501-I781 HydrophobicContact CD2-CG1 4.02Å; L501-F785 HydrophobicContact CB-CE1 4.1Å; L501-F785 HydrophobicContact CB-CZ 4.19Å; L501-F785 WeakPolarHBondContact O-CZ 3.43Å |
| 502 | M | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | -178.8 | -169 | 60.4 | 58.6 | 0 | 0 | 111.7 | R498 F505 A506 V691 F785 R789 P867 | R498-M502 WeakPolarHBondContact O-CB 3.26Å; R498-M502 PolarHBondContact O-N 2.94Å; M502-F505 WeakPolarHBondContact O-CB 3.37Å; M502-F505 PolarHBondContact O-N 3.23Å; M502-F505 HydrophobicContact SD-CD1 4.16Å; M502-A506 WeakPolarHBondContact O-CB 3.43Å; M502-A506 PolarHBondContact O-N 3.19Å; M502-V691 HydrophobicContact CB-CG1 3.87Å; M502-V691 HydrophobicContact CG-CG1 3.89Å; M502-F785 HydrophobicContact CE-CD1 4.08Å; M502-F785 HydrophobicContact CE-CE1 3.91Å; M502-R789 HydrophobicContact CE-CB 3.51Å; M502-R789 HydrophobicContact SD-CB 4.18Å; M502-P867 HydrophobicContact CE-CG 3.75Å; M502-P867 HydrophobicContact SD-CG 3.99Å |
| 503 | G | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71.5 | -35.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S499 F505 A506 F507 | S499-G503 WeakPolarHBondContact O-CA 3.44Å; S499-G503 PolarHBondContact O-N 3.34Å; G503-F505 VanDerWaalsContact C-N 3.31Å; G503-F505 PolarHBondContact O-N 2.88Å; G503-A506 PolarHBondContact O-N 2.84Å; G503-F507 WeakPolarHBondContact O-CB 3.26Å; G503-F507 PolarHBondContact O-N 2.82Å |
| 504 | R | 95 | Very high | 93.4 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | 166.3 | 176.8 | -171.5 | 69.8 | 160.6 | 10.2 | 111.8 | Y483 T500 N508 L610 G611 L921 | Y483-R504 HydrophobicContact CE2-CB 4.23Å; T500-R504 WeakPolarHBondContact O-CB 3.31Å; T500-R504 PolarHBondContact O-N 2.97Å; R504-N508 PolarHBondContact O-N 3.39Å; R504-N508 PolarHBondContact O-ND2 2.96Å; R504-L610 PolarHBondContact NH1-O 3.15Å; R504-G611 WeakPolarHBondContact CD-O 3.42Å; R504-L921 PolarHBondContact NH2-O 3.45Å; R504-L921 VanDerWaalsContact NH2-O 3.14Å |
| 505 | F | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.1 | 167.4 | -96.2 | 0 | 0 | 0 | 111.8 | L501 M502 G503 F507 N508 V509 F785 A861 I865 E866 P867 V870 L920 L921 | L501-F505 PolarHBondContact O-N 2.87Å; M502-F505 WeakPolarHBondContact O-CB 3.37Å; M502-F505 PolarHBondContact O-N 3.23Å; M502-F505 HydrophobicContact SD-CD1 4.16Å; G503-F505 VanDerWaalsContact C-N 3.31Å; G503-F505 PolarHBondContact O-N 2.88Å; F505-F507 PolarHBondContact O-N 2.73Å; F505-N508 PolarHBondContact O-N 3.4Å; F505-V509 HydrophobicContact CE1-CG1 4.32Å; F505-V509 HydrophobicContact CZ-CB 4.3Å; F505-V509 HydrophobicContact CZ-CG1 4.5Å; F505-V509 HydrophobicContact CZ-CG2 4.47Å; F505-V509 PolarHBondContact O-N 2.99Å; F505-F785 HydrophobicContact CB-CE2 4.09Å; F505-F785 HydrophobicContact CB-CZ 3.8Å; F505-F785 HydrophobicContact CD2-CE2 4.37Å; F505-F785 HydrophobicContact CG-CE2 4.4Å; F505-F785 HydrophobicContact CG-CZ 4.41Å; F505-A861 HydrophobicContact CZ-CB 3.97Å; F505-I865 HydrophobicContact CE1-CG2 4.46Å; F505-E866 VanDerWaalsContact CE1-C 3.49Å; F505-E866 WeakPolarHBondContact CZ-O 3.48Å; F505-P867 HydrophobicContact CD1-CB 4.02Å; F505-P867 HydrophobicContact CD1-CG 4.34Å; F505-P867 HydrophobicContact CD2-CB 3.91Å; F505-P867 HydrophobicContact CE1-CB 3.87Å; F505-P867 HydrophobicContact CE1-CG 4.34Å; F505-P867 HydrophobicContact CE2-CB 3.72Å; F505-P867 HydrophobicContact CG-CB 4.04Å; F505-P867 VanDerWaalsContact CZ-CA 3.4Å; F505-P867 HydrophobicContact CZ-CB 3.7Å; F505-V870 HydrophobicContact CE2-CG2 4.44Å; F505-L920 HydrophobicContact CD2-CD1 4.09Å; F505-L920 HydrophobicContact CD2-CG 4.2Å; F505-L920 HydrophobicContact CE2-CD1 3.69Å; F505-L920 HydrophobicContact CE2-CD2 4.19Å; F505-L920 HydrophobicContact CE2-CG 3.76Å; F505-L920 HydrophobicContact CZ-CD1 4.47Å; F505-L921 HydrophobicContact CD2-CD2 3.88Å; F505-L921 HydrophobicContact CE2-CD2 3.98Å |
| 506 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V481 M502 G503 N508 V509 L510 V691 I865 | V481-A506 HydrophobicContact CG1-CB 4Å; M502-A506 WeakPolarHBondContact O-CB 3.43Å; M502-A506 PolarHBondContact O-N 3.19Å; G503-A506 PolarHBondContact O-N 2.84Å; A506-N508 PolarHBondContact O-N 2.88Å; A506-V509 WeakPolarHBondContact O-CG1 3.31Å; A506-V509 PolarHBondContact O-N 2.75Å; A506-L510 WeakPolarHBondContact O-CB 3.2Å; A506-L510 WeakPolarHBondContact O-CD1 3.21Å; A506-L510 WeakPolarHBondContact O-CG 3.06Å; A506-L510 PolarHBondContact O-N 2.73Å; A506-L510 VanDerWaalsContact O-N 3.11Å; A506-V691 HydrophobicContact CB-CG2 4.41Å; A506-I865 HydrophobicContact CB-CG2 3.41Å; A506-I865 VanDerWaalsContact CB-CG2 3.41Å |
| 507 | F | 97 | Very high | 95.1 | Very high | 10 Ų | 10 | 12.4 Ų | 12.4 | 4% | 0.044 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -56.3 | -50.8 | 173.6 | 175.6 | -95 | 0 | 0 | 0 | 111.6 | G503 F505 R511 V517 A519 | G503-F507 WeakPolarHBondContact O-CB 3.26Å; G503-F507 PolarHBondContact O-N 2.82Å; F505-F507 PolarHBondContact O-N 2.73Å; F507-R511 WeakPolarHBondContact O-CB 3.37Å; F507-R511 PolarHBondContact O-N 2.75Å; F507-V517 HydrophobicContact CD2-CB 4.08Å; F507-V517 HydrophobicContact CD2-CG1 3.61Å; F507-V517 HydrophobicContact CE2-CB 4.15Å; F507-V517 HydrophobicContact CE2-CG1 4.12Å; F507-V517 WeakPolarHBondContact CE2-O 3.39Å; F507-V517 HydrophobicContact CG-CG1 4.47Å; F507-A519 HydrophobicContact CD2-CB 3.61Å; F507-A519 HydrophobicContact CE2-CB 3.67Å; F507-A519 HydrophobicContact CG-CB 4.39Å |
| 508 | N | 95.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 13.7 Ų | 13.7 | 11% | 0.107 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | -177.4 | -66.8 | -23.9 | 0 | 0 | 0 | 112.6 | R504 F505 A506 S512 R919 L920 | R504-N508 PolarHBondContact O-N 3.39Å; R504-N508 PolarHBondContact O-ND2 2.96Å; F505-N508 PolarHBondContact O-N 3.4Å; A506-N508 PolarHBondContact O-N 2.88Å; N508-S512 WeakPolarHBondContact O-CB 3.35Å; N508-S512 PolarHBondContact O-N 3.23Å; N508-S512 PolarHBondContact O-OG 3.43Å; N508-R919 PolarHBondContact ND2-O 3.31Å; N508-R919 VanDerWaalsContact ND2-O 3.11Å; N508-L920 PolarHBondContact ND2-O 3.21Å; N508-L920 VanDerWaalsContact ND2-O 3.1Å |
| 509 | V | 95.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | -176.9 | 77.4 | 0 | 0 | 0 | 0 | 111.1 | V466 F505 A506 S512 A513 A861 L920 | V466-V509 HydrophobicContact CG2-CG2 4.31Å; F505-V509 HydrophobicContact CE1-CG1 4.32Å; F505-V509 HydrophobicContact CZ-CB 4.3Å; F505-V509 HydrophobicContact CZ-CG1 4.5Å; F505-V509 HydrophobicContact CZ-CG2 4.47Å; F505-V509 PolarHBondContact O-N 2.99Å; A506-V509 WeakPolarHBondContact O-CG1 3.31Å; A506-V509 PolarHBondContact O-N 2.75Å; V509-S512 PolarHBondContact O-N 3.25Å; V509-S512 PolarHBondContact O-OG 2.87Å; V509-A513 PolarHBondContact O-N 3.04Å; V509-A861 HydrophobicContact CG2-CB 4.32Å; V509-L920 VanDerWaalsContact CA-CD1 3.48Å; V509-L920 HydrophobicContact CB-CD1 3.41Å; V509-L920 VanDerWaalsContact CB-CD1 3.41Å; V509-L920 HydrophobicContact CG2-CD1 3.56Å |
| 510 | L | 96 | Very high | 95.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 178.1 | -67.4 | 171.7 | 0 | 0 | 0 | 111.3 | L479 V481 A506 A513 H515 V517 Y689 Y862 I865 | L479-L510 HydrophobicContact CD1-CB 4.07Å; L479-L510 HydrophobicContact CD1-CD1 4.19Å; L479-L510 HydrophobicContact CD1-CD2 3.98Å; L479-L510 HydrophobicContact CD1-CG 4.31Å; V481-L510 HydrophobicContact CG2-CD1 3.75Å; A506-L510 WeakPolarHBondContact O-CB 3.2Å; A506-L510 WeakPolarHBondContact O-CD1 3.21Å; A506-L510 WeakPolarHBondContact O-CG 3.06Å; A506-L510 PolarHBondContact O-N 2.73Å; A506-L510 VanDerWaalsContact O-N 3.11Å; L510-A513 WeakPolarHBondContact O-CB 3.48Å; L510-A513 PolarHBondContact O-N 3.41Å; L510-H515 PolarHBondContact O-CD2 3.06Å; L510-V517 HydrophobicContact CB-CG2 3.8Å; L510-Y689 HydrophobicContact CD1-CD2 3.66Å; L510-Y689 HydrophobicContact CD1-CE2 3.58Å; L510-Y689 HydrophobicContact CD1-CG 4.46Å; L510-Y689 HydrophobicContact CD2-CE2 4.35Å; L510-Y862 HydrophobicContact CD2-CD2 4.17Å; L510-Y862 HydrophobicContact CD2-CE2 3.99Å; L510-I865 HydrophobicContact CD1-CD1 4.23Å; L510-I865 HydrophobicContact CD2-CD1 4.49Å |
| 511 | R | 94.7 | Very high | 95.8 | Very high | 76 Ų | 76 | 13 Ų | 13 | 29% | 0.287 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 176.1 | -173.6 | 169.5 | 174.1 | 145.6 | 4.6 | 111 | D463 F507 A513 G514 V517 | D463-R511 WeakPolarHBondContact OD1-CD 3.23Å; D463-R511 IonicContact OD1-CZ 2.81Å; D463-R511 IonicContact OD1-NE 2.66Å; D463-R511 PolarHBondContact OD1-NE 2.75Å; D463-R511 IonicContact OD1-NH2 3.53Å; D463-R511 IonicContact OD2-NH2 3.84Å; F507-R511 WeakPolarHBondContact O-CB 3.37Å; F507-R511 PolarHBondContact O-N 2.75Å; R511-A513 PolarHBondContact O-N 2.95Å; R511-A513 VanDerWaalsContact O-N 3.17Å; R511-G514 PolarHBondContact O-N 2.9Å; R511-V517 HydrophobicContact CB-CB 4.44Å; R511-V517 HydrophobicContact CB-CG2 4Å |
| 512 | S | 93.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.2 | -14.7 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 114.7 | K462 N464 L465 V466 E467 N508 V509 G514 | K462-S512 WeakPolarHBondContact O-CB 3.46Å; N464-S512 CarbonylContact C-O 3.49Å; N464-S512 WeakPolarHBondContact CA-O 3.36Å; L465-S512 PolarHBondContact N-O 3.28Å; V466-S512 WeakPolarHBondContact CG2-OG 3.49Å; V466-S512 PolarHBondContact N-O 3.42Å; E467-S512 PolarHBondContact N-O 3.41Å; N508-S512 WeakPolarHBondContact O-CB 3.35Å; N508-S512 PolarHBondContact O-N 3.23Å; N508-S512 PolarHBondContact O-OG 3.43Å; V509-S512 PolarHBondContact O-N 3.25Å; V509-S512 PolarHBondContact O-OG 2.87Å; S512-G514 VanDerWaalsContact C-N 3.27Å |
| 513 | A | 92.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 2% | 0.017 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 6.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V466 L472 V509 L510 R511 Y862 | V466-A513 HydrophobicContact CB-CB 4.29Å; V466-A513 HydrophobicContact CG1-CB 4.06Å; L472-A513 HydrophobicContact CD1-CB 3.88Å; V509-A513 PolarHBondContact O-N 3.04Å; L510-A513 WeakPolarHBondContact O-CB 3.48Å; L510-A513 PolarHBondContact O-N 3.41Å; R511-A513 PolarHBondContact O-N 2.95Å; R511-A513 VanDerWaalsContact O-N 3.17Å; A513-Y862 HydrophobicContact CB-CD2 3.5Å; A513-Y862 VanDerWaalsContact CB-CD2 3.5Å; A513-Y862 HydrophobicContact CB-CE2 3.38Å; A513-Y862 HydrophobicContact CB-CG 4.2Å |
| 514 | G | 91.2 | Very high | 95.8 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 13% | 0.134 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 3.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | K476 R511 S512 | K476-G514 WeakPolarHBondContact CG-O 3.36Å; R511-G514 PolarHBondContact O-N 2.9Å; S512-G514 VanDerWaalsContact C-N 3.27Å |
| 515 | H | 94.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 13.5 Ų | 13.5 | 6% | 0.056 | 7% | 0.072 | C | C | . | . | trans | -81.2 | 155.4 | -179.6 | -56.8 | -43.8 | 0 | 0 | 0 | 113.1 | L477 L479 L510 V517 Y862 | L477-H515 PolarHBondContact N-ND1 2.83Å; L479-H515 HydrophobicContact CD1-CB 3.66Å; L479-H515 VanDerWaalsContact CD1-CD2 3.48Å; L479-H515 WeakPolarHBondContact CD1-CD2 3.22Å; L479-H515 HydrophobicContact CG-CB 4.22Å; L510-H515 PolarHBondContact O-CD2 3.06Å; H515-V517 HydrophobicContact CB-CG2 4.11Å; H515-V517 PolarHBondContact O-N 2.96Å; H515-Y862 AromaticContact CD2-CE2 3.91Å; H515-Y862 AromaticContact NE2-CE2 3.51Å; H515-Y862 AromaticContact NE2-CZ 3.55Å; H515-Y862 PolarHBondContact NE2-OH 3.47Å | ||
| 516 | N | 95.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 14.2 Ų | 14.2 | 53% | 0.529 | 8% | 0.075 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 110.6 | 168.2 | -175.5 | 9 | 0 | 0 | 0 | 108.7 | L477 R478 L479 | L477-N516 PolarHBondContact O-N 3.3Å; R478-N516 CarbonylContact C-O 3.47Å; R478-N516 WeakPolarHBondContact CA-O 2.99Å; L479-N516 PolarHBondContact N-O 3.13Å |
| 517 | V | 97.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 15 Ų | 15 | 4% | 0.036 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.7 | -173.8 | -166.8 | 0 | 0 | 0 | 0 | 110.2 | L479 V481 F507 L510 R511 H515 | L479-V517 HydrophobicContact CB-CG1 4.39Å; L479-V517 HydrophobicContact CB-CG2 4.34Å; L479-V517 HydrophobicContact CD1-CG2 4.4Å; L479-V517 CarbonylContact O-C 3.58Å; L479-V517 VanDerWaalsContact O-CA 3.3Å; L479-V517 WeakPolarHBondContact O-CA 3.49Å; V481-V517 HydrophobicContact CB-CG1 4.48Å; V481-V517 HydrophobicContact CG2-CG1 3.68Å; F507-V517 HydrophobicContact CD2-CB 4.08Å; F507-V517 HydrophobicContact CD2-CG1 3.61Å; F507-V517 HydrophobicContact CE2-CB 4.15Å; F507-V517 HydrophobicContact CE2-CG1 4.12Å; F507-V517 WeakPolarHBondContact CE2-O 3.39Å; F507-V517 HydrophobicContact CG-CG1 4.47Å; L510-V517 HydrophobicContact CB-CG2 3.8Å; R511-V517 HydrophobicContact CB-CB 4.44Å; R511-V517 HydrophobicContact CB-CG2 4Å; H515-V517 HydrophobicContact CB-CG2 4.11Å; H515-V517 PolarHBondContact O-N 2.96Å |
| 518 | T | 98.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 17.7 Ų | 17.7 | 16% | 0.16 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.7 | 173.4 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | L479 I480 V481 I520 D615 Y683 | L479-T518 PolarHBondContact O-N 3.3Å; I480-T518 WeakPolarHBondContact CA-O 3.3Å; V481-T518 PolarHBondContact N-O 2.91Å; T518-I520 HydrophobicContact CG2-CG1 4.13Å; T518-D615 WeakPolarHBondContact CA-OD2 3.46Å; T518-D615 HydrophobicContact CG2-CB 4.09Å; T518-Y683 HydrophobicContact CG2-CD1 4.43Å; T518-Y683 HydrophobicContact CG2-CE1 4.01Å |
| 519 | A | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | V481 Y483 F507 H613 F614 D615 S616 | V481-A519 WeakPolarHBondContact O-CA 3.47Å; Y483-A519 HydrophobicContact CE1-CB 3.95Å; F507-A519 HydrophobicContact CD2-CB 3.61Å; F507-A519 HydrophobicContact CE2-CB 3.67Å; F507-A519 HydrophobicContact CG-CB 4.39Å; A519-H613 WeakPolarHBondContact CB-O 3.48Å; A519-F614 HydrophobicContact CB-CD1 4.47Å; A519-D615 PolarHBondContact N-OD2 3.27Å; A519-D615 PolarHBondContact O-N 2.9Å; A519-S616 PolarHBondContact O-N 2.86Å |
| 520 | I | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133 | 179.4 | -60 | -179.9 | 0 | 0 | 0 | 109.6 | I480 V481 E482 Y483 T518 E618 R679 Y683 | I480-I520 HydrophobicContact CD1-CD1 4.25Å; I480-I520 HydrophobicContact CG2-CD1 3.62Å; I480-I520 HydrophobicContact CG2-CG1 4.07Å; V481-I520 PolarHBondContact O-N 3.23Å; E482-I520 WeakPolarHBondContact CA-O 3.33Å; E482-I520 HydrophobicContact CG-CB 4.47Å; E482-I520 HydrophobicContact CG-CG2 4.43Å; Y483-I520 PolarHBondContact N-O 3.21Å; T518-I520 HydrophobicContact CG2-CG1 4.13Å; I520-E618 HydrophobicContact CG2-CB 4.12Å; I520-E618 HydrophobicContact CG2-CG 3.88Å; I520-E618 WeakPolarHBondContact CG2-OE2 3.12Å; I520-R679 HydrophobicContact CD1-CG 4.41Å; I520-Y683 HydrophobicContact CD1-CE2 4Å |
| 521 | N | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 111.9 | 165.3 | -155.3 | -22.2 | 0 | 0 | 0 | 108.5 | S485 P486 L523 Y607 F614 S616 F617 E618 | S485-N521 PolarHBondContact N-OD1 3.48Å; P486-N521 WeakPolarHBondContact CD-OD1 3.35Å; N521-L523 HydrophobicContact CB-CD2 4.42Å; N521-L523 VanDerWaalsContact OD1-CD2 3.31Å; N521-L523 WeakPolarHBondContact OD1-CD2 3.45Å; N521-Y607 WeakPolarHBondContact ND2-CE2 3.3Å; N521-Y607 PolarHBondContact ND2-OH 3.08Å; N521-F614 HydrophobicContact CB-CB 4.41Å; N521-F614 HydrophobicContact CB-CD1 3.49Å; N521-F614 VanDerWaalsContact CB-CD1 3.49Å; N521-F614 HydrophobicContact CB-CD2 4.21Å; N521-F614 HydrophobicContact CB-CE1 3.62Å; N521-F614 HydrophobicContact CB-CE2 4.36Å; N521-F614 HydrophobicContact CB-CG 3.78Å; N521-F614 HydrophobicContact CB-CZ 4.08Å; N521-F614 VanDerWaalsContact ND2-CE2 3.27Å; N521-F614 WeakPolarHBondContact ND2-CE2 3.45Å; N521-F614 WeakPolarHBondContact ND2-CZ 3.3Å; N521-S616 PolarHBondContact N-O 3.32Å; N521-F617 HydrophobicContact CB-CD1 3.78Å; N521-F617 HydrophobicContact CB-CE1 4.02Å; N521-F617 HydrophobicContact CB-CG 4.46Å; N521-E618 PolarHBondContact O-N 2.78Å; N521-E618 VanDerWaalsContact O-O 3.11Å |
| 522 | Y | 97.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 96.5 | -179.3 | -172.7 | -132.2 | 0 | 0 | 0 | 110.2 | E482 S485 E618 Y623 D672 A675 | E482-Y522 VanDerWaalsContact CD-CB 3.49Å; S485-Y522 CarbonylContact C-O 3.59Å; S485-Y522 WeakPolarHBondContact CA-O 3.36Å; S485-Y522 WeakPolarHBondContact CB-O 3.27Å; S485-Y522 PolarHBondContact OG-N 3.27Å; S485-Y522 PolarHBondContact OG-O 2.98Å; Y522-E618 HydrophobicContact CD2-CB 3.77Å; Y522-E618 HydrophobicContact CE2-CB 4.45Å; Y522-Y623 HydrophobicContact CD2-CE2 4.28Å; Y522-Y623 AromaticContact CE2-CD2 3.54Å; Y522-Y623 HydrophobicContact CE2-CD2 3.54Å; Y522-Y623 AromaticContact CE2-CE2 3.53Å; Y522-Y623 HydrophobicContact CE2-CE2 3.53Å; Y522-Y623 AromaticContact CZ-CD2 3.95Å; Y522-Y623 WeakPolarHBondContact OH-CD2 3.21Å; Y522-D672 WeakPolarHBondContact CE1-OD1 3.14Å; Y522-A675 HydrophobicContact CE2-CB 4.46Å |
| 523 | L | 96 | Very high | 94 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.6 | -169.8 | -56.3 | -179.3 | 0 | 0 | 0 | 111.8 | P486 I488 N521 D525 V600 L603 F617 E618 E620 | P486-L523 HydrophobicContact CG-CD2 4.05Å; I488-L523 HydrophobicContact CD1-CB 3.73Å; I488-L523 HydrophobicContact CD1-CD1 3.67Å; I488-L523 HydrophobicContact CD1-CG 4.28Å; I488-L523 HydrophobicContact CG1-CB 3.9Å; I488-L523 HydrophobicContact CG1-CD1 4.24Å; I488-L523 HydrophobicContact CG1-CG 4.49Å; N521-L523 HydrophobicContact CB-CD2 4.42Å; N521-L523 VanDerWaalsContact OD1-CD2 3.31Å; N521-L523 WeakPolarHBondContact OD1-CD2 3.45Å; L523-D525 PolarHBondContact O-N 3.28Å; L523-V600 HydrophobicContact CD1-CG2 3.82Å; L523-L603 HydrophobicContact CD2-CD1 4.2Å; L523-F617 HydrophobicContact CD1-CD1 4.01Å; L523-F617 HydrophobicContact CG-CD1 4.4Å; L523-E618 PolarHBondContact N-O 2.89Å; L523-E620 PolarHBondContact O-N 3.13Å |
| 524 | G | 93.5 | Very high | 94 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 9% | 0.093 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 93.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P486 N487 I488 | P486-G524 PolarHBondContact O-N 2.82Å; N487-G524 CarbonylContact C-O 3.57Å; N487-G524 WeakPolarHBondContact CA-O 3.48Å; N487-G524 PolarHBondContact OD1-O 3.28Å; I488-G524 PolarHBondContact N-O 3.25Å |
| 525 | D | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -115.7 | 8.5 | -179.1 | 76 | -32.5 | 0 | 0 | 0 | 113.3 | I488 L523 F530 W592 R619 E620 S621 | I488-D525 HydrophobicContact CD1-CB 3.74Å; I488-D525 HydrophobicContact CG1-CB 4.48Å; L523-D525 PolarHBondContact O-N 3.28Å; D525-F530 HydrophobicContact CB-CZ 4.43Å; D525-F530 WeakPolarHBondContact O-CE2 3.44Å; D525-F530 WeakPolarHBondContact O-CZ 3.21Å; D525-W592 HydrophobicContact CB-CZ2 4.34Å; D525-W592 WeakPolarHBondContact O-CZ2 3.36Å; D525-W592 PolarHBondContact O-NE1 3.49Å; D525-W592 WeakPolarHBondContact OD2-CZ2 3.37Å; D525-R619 WeakPolarHBondContact OD2-CB 3.46Å; D525-R619 VanDerWaalsContact OD2-CD 3.29Å; D525-R619 WeakPolarHBondContact OD2-CD 3.26Å; D525-E620 PolarHBondContact OD1-N 3.08Å; D525-S621 WeakPolarHBondContact OD1-CB 3.39Å; D525-S621 PolarHBondContact OD1-N 3.01Å; D525-S621 PolarHBondContact OD1-OG 2.8Å; D525-S621 WeakPolarHBondContact OD2-CB 3.39Å; D525-S621 PolarHBondContact OD2-OG 2.69Å | ||
| 526 | W | 91 | Very high | 94 | Very high | 15 Ų | 15 | 14.9 Ų | 14.9 | 6% | 0.057 | 9% | 0.086 | C | C | . | . | trans | -119.3 | 135.1 | -177 | -150.2 | -117.4 | 0 | 0 | 0 | 111 | Q529 F578 V581 E582 W592 E620 A624 | W526-Q529 PolarHBondContact O-NE2 3.04Å; W526-F578 AromaticContact CD1-CZ 3.53Å; W526-F578 AromaticContact CD2-CE2 3.91Å; W526-F578 HydrophobicContact CD2-CE2 3.91Å; W526-F578 AromaticContact CD2-CZ 3.84Å; W526-F578 HydrophobicContact CD2-CZ 3.84Å; W526-F578 AromaticContact CE2-CZ 3.71Å; W526-F578 HydrophobicContact CE3-CE2 4.27Å; W526-F578 HydrophobicContact CG-CE2 4.13Å; W526-F578 AromaticContact CG-CZ 3.77Å; W526-F578 HydrophobicContact CG-CZ 3.77Å; W526-F578 HydrophobicContact CZ2-CZ 4.45Å; W526-F578 AromaticContact NE1-CZ 3.42Å; W526-V581 HydrophobicContact CH2-CG1 4.15Å; W526-V581 HydrophobicContact CZ3-CG1 4.03Å; W526-E582 HydrophobicContact CH2-CG 4.39Å; W526-E582 HydrophobicContact CZ2-CB 4.23Å; W526-E582 HydrophobicContact CZ2-CG 3.6Å; W526-E582 PolarHBondContact NE1-OE1 3.04Å; W526-W592 HydrophobicContact CE3-CH2 4.32Å; W526-W592 AromaticContact CE3-CZ2 3.8Å; W526-W592 HydrophobicContact CE3-CZ2 3.8Å; W526-W592 AromaticContact CZ3-CH2 3.97Å; W526-W592 HydrophobicContact CZ3-CH2 3.97Å; W526-W592 AromaticContact CZ3-CZ2 3.84Å; W526-W592 HydrophobicContact CZ3-CZ2 3.84Å; W526-W592 HydrophobicContact CZ3-CZ3 4.46Å; W526-E620 HydrophobicContact CB-CB 4.11Å; W526-E620 HydrophobicContact CB-CG 3.84Å; W526-A624 HydrophobicContact CZ2-CB 4.12Å | ||
| 527 | G | 89.9 | Confident | 93.8 | Very high | 15 Ų | 15 | 10.2 Ų | 10.2 | 16% | 0.155 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 138.6 | 171.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q529 F530 F578 | G527-Q529 PolarHBondContact O-N 2.88Å; G527-Q529 VanDerWaalsContact O-N 3.12Å; G527-F530 WeakPolarHBondContact O-CD2 3.47Å; G527-F530 PolarHBondContact O-N 3.1Å; G527-F578 VanDerWaalsContact CA-CZ 3.43Å; G527-F578 VanDerWaalsContact O-CD2 3.29Å; G527-F578 WeakPolarHBondContact O-CD2 3.28Å |
| 528 | T | 89.6 | Confident | 93.5 | Very high | 68 Ų | 68 | 15.1 Ų | 15.1 | 42% | 0.417 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.2 | -176 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | F530 G531 M532 R575 F578 | T528-F530 PolarHBondContact O-N 3.46Å; T528-G531 WeakPolarHBondContact O-CA 3.4Å; T528-G531 PolarHBondContact O-N 2.97Å; T528-M532 PolarHBondContact O-N 3.32Å; T528-R575 HydrophobicContact CG2-CG 3.95Å; T528-F578 HydrophobicContact CG2-CB 4.46Å; T528-F578 HydrophobicContact CG2-CD1 4.23Å |
| 529 | Q | 90.4 | Very high | 93 | Very high | 33 Ų | 33 | 17.6 Ų | 17.6 | 15% | 0.154 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56 | -31.2 | 173.7 | 60.3 | -138 | -9.6 | 0 | 0 | 113.9 | N487 A489 W526 G527 M532 I533 Y559 | N487-Q529 PolarHBondContact ND2-NE2 3.43Å; N487-Q529 PolarHBondContact ND2-OE1 3.33Å; A489-Q529 HydrophobicContact CB-CB 4.21Å; A489-Q529 HydrophobicContact CB-CG 3.71Å; W526-Q529 PolarHBondContact O-NE2 3.04Å; G527-Q529 PolarHBondContact O-N 2.88Å; G527-Q529 VanDerWaalsContact O-N 3.12Å; Q529-M532 WeakPolarHBondContact O-CB 3.28Å; Q529-M532 PolarHBondContact O-N 2.95Å; Q529-I533 PolarHBondContact O-N 3.12Å; Q529-I533 VanDerWaalsContact O-N 3.08Å; Q529-Y559 HydrophobicContact CB-CE2 4.1Å |
| 530 | F | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.5 | -39 | 174.4 | -70.1 | -85.9 | 0 | 0 | 0 | 111.3 | A489 D525 G527 T528 M532 I533 V534 F577 W592 I595 | A489-F530 HydrophobicContact CB-CE1 4.13Å; A489-F530 HydrophobicContact CB-CE2 4.17Å; A489-F530 HydrophobicContact CB-CZ 3.92Å; D525-F530 HydrophobicContact CB-CZ 4.43Å; D525-F530 WeakPolarHBondContact O-CE2 3.44Å; D525-F530 WeakPolarHBondContact O-CZ 3.21Å; G527-F530 WeakPolarHBondContact O-CD2 3.47Å; G527-F530 PolarHBondContact O-N 3.1Å; T528-F530 PolarHBondContact O-N 3.46Å; F530-M532 VanDerWaalsContact C-N 3.3Å; F530-M532 PolarHBondContact O-N 3.5Å; F530-I533 WeakPolarHBondContact O-CB 3.44Å; F530-I533 PolarHBondContact O-N 3.17Å; F530-V534 WeakPolarHBondContact O-CG2 3.35Å; F530-V534 PolarHBondContact O-N 3Å; F530-F577 HydrophobicContact CB-CE1 4.45Å; F530-W592 AromaticContact CD1-CD1 3.57Å; F530-W592 AromaticContact CD1-NE1 3.95Å; F530-W592 AromaticContact CG-CD1 3.59Å; F530-W592 AromaticContact CG-NE1 3.94Å; F530-I595 HydrophobicContact CD1-CB 4.37Å; F530-I595 HydrophobicContact CD1-CG2 3.77Å; F530-I595 HydrophobicContact CE1-CG2 3.9Å |
| 531 | G | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T528 I533 V534 Q535 A574 F577 | T528-G531 WeakPolarHBondContact O-CA 3.4Å; T528-G531 PolarHBondContact O-N 2.97Å; G531-I533 PolarHBondContact O-N 3.01Å; G531-V534 PolarHBondContact O-N 3.48Å; G531-Q535 WeakPolarHBondContact O-CG 3.4Å; G531-Q535 PolarHBondContact O-N 3.33Å; G531-A574 VanDerWaalsContact C-CB 3.46Å; G531-F577 VanDerWaalsContact CA-CD1 3.44Å |
| 532 | M | 92.7 | Very high | 91 | Very high | 19 Ų | 19 | 30 Ų | 30 | 9% | 0.094 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 175.4 | -66.8 | -62.5 | -68.7 | 0 | 0 | 112.3 | T528 Q529 F530 Q535 G536 Y559 A562 H563 V570 A574 | T528-M532 PolarHBondContact O-N 3.32Å; Q529-M532 WeakPolarHBondContact O-CB 3.28Å; Q529-M532 PolarHBondContact O-N 2.95Å; F530-M532 VanDerWaalsContact C-N 3.3Å; F530-M532 PolarHBondContact O-N 3.5Å; M532-Q535 PolarHBondContact O-N 3.4Å; M532-G536 PolarHBondContact O-N 2.87Å; M532-Y559 HydrophobicContact CB-CD2 3.73Å; M532-Y559 HydrophobicContact CB-CE2 3.83Å; M532-Y559 HydrophobicContact CG-CE2 4.31Å; M532-A562 HydrophobicContact CB-CB 4.47Å; M532-A562 HydrophobicContact CE-CB 3.77Å; M532-A562 WeakPolarHBondContact O-CB 3.31Å; M532-H563 HydrophobicContact CE-CB 4.31Å; M532-V570 HydrophobicContact CE-CG1 4.1Å; M532-V570 HydrophobicContact SD-CG1 4.19Å; M532-A574 HydrophobicContact CG-CB 3.95Å; M532-A574 HydrophobicContact SD-CB 3.56Å; M532-A574 VanDerWaalsContact SD-CB 3.56Å |
| 533 | I | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 173.6 | -69.8 | 166.8 | 0 | 0 | 0 | 110.1 | A489 Q529 F530 G531 Q535 G536 L537 L555 Y559 I595 | A489-I533 HydrophobicContact CB-CD1 3.7Å; Q529-I533 PolarHBondContact O-N 3.12Å; Q529-I533 VanDerWaalsContact O-N 3.08Å; F530-I533 WeakPolarHBondContact O-CB 3.44Å; F530-I533 PolarHBondContact O-N 3.17Å; G531-I533 PolarHBondContact O-N 3.01Å; I533-Q535 PolarHBondContact O-N 3.44Å; I533-G536 PolarHBondContact O-N 2.82Å; I533-G536 VanDerWaalsContact O-N 3.13Å; I533-L537 HydrophobicContact CG2-CD1 4.12Å; I533-L537 HydrophobicContact CG2-CG 4.38Å; I533-L537 WeakPolarHBondContact O-CG 3.29Å; I533-L537 PolarHBondContact O-N 3.44Å; I533-L555 HydrophobicContact CG2-CB 4.43Å; I533-L555 HydrophobicContact CG2-CD2 3.89Å; I533-Y559 HydrophobicContact CG1-CD2 4.22Å; I533-I595 HydrophobicContact CB-CD1 4.46Å; I533-I595 HydrophobicContact CD1-CG2 4.07Å; I533-I595 HydrophobicContact CG2-CD1 3.91Å; I533-I595 HydrophobicContact CG2-CG1 4.46Å; I533-I595 HydrophobicContact CG2-CG2 4.46Å |
| 534 | V | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | -179.7 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | F530 G531 G536 L537 R538 L544 F577 L591 I595 | F530-V534 WeakPolarHBondContact O-CG2 3.35Å; F530-V534 PolarHBondContact O-N 3Å; G531-V534 PolarHBondContact O-N 3.48Å; V534-G536 VanDerWaalsContact C-N 3.3Å; V534-G536 PolarHBondContact O-N 3.28Å; V534-L537 PolarHBondContact O-N 3.32Å; V534-R538 WeakPolarHBondContact O-CG 3.45Å; V534-R538 PolarHBondContact O-N 2.98Å; V534-L544 HydrophobicContact CG1-CD1 4.08Å; V534-L544 HydrophobicContact CG1-CD2 4.41Å; V534-F577 HydrophobicContact CB-CD2 4.43Å; V534-F577 HydrophobicContact CB-CE2 4.39Å; V534-F577 HydrophobicContact CG1-CD2 4.11Å; V534-F577 HydrophobicContact CG1-CE2 4.16Å; V534-F577 HydrophobicContact CG2-CD1 4.43Å; V534-F577 HydrophobicContact CG2-CD2 4.36Å; V534-F577 HydrophobicContact CG2-CE1 3.94Å; V534-F577 HydrophobicContact CG2-CE2 3.88Å; V534-F577 HydrophobicContact CG2-CZ 3.65Å; V534-L591 HydrophobicContact CB-CD2 4.29Å; V534-L591 HydrophobicContact CG1-CD2 3.69Å; V534-L591 HydrophobicContact CG2-CD2 3.56Å; V534-L591 HydrophobicContact CG2-CG 4.01Å; V534-I595 HydrophobicContact CG2-CD1 3.68Å |
| 535 | Q | 92.7 | Very high | 88.8 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.3 | -62.1 | -44.2 | -44.3 | 0 | 0 | 111.8 | G531 M532 I533 L537 R538 L539 V570 S573 A574 | G531-Q535 WeakPolarHBondContact O-CG 3.4Å; G531-Q535 PolarHBondContact O-N 3.33Å; M532-Q535 PolarHBondContact O-N 3.4Å; I533-Q535 PolarHBondContact O-N 3.44Å; Q535-L537 VanDerWaalsContact C-N 3.33Å; Q535-L537 PolarHBondContact O-N 2.98Å; Q535-R538 VanDerWaalsContact NE2-NH1 3.18Å; Q535-R538 WeakPolarHBondContact O-CB 3.41Å; Q535-R538 PolarHBondContact O-N 3.26Å; Q535-L539 WeakPolarHBondContact O-CB 3.38Å; Q535-L539 VanDerWaalsContact O-CG 3.27Å; Q535-L539 WeakPolarHBondContact O-CG 3.47Å; Q535-L539 PolarHBondContact O-N 2.81Å; Q535-V570 HydrophobicContact CB-CG1 3.91Å; Q535-V570 HydrophobicContact CG-CG1 4.29Å; Q535-S573 PolarHBondContact NE2-OG 3.39Å; Q535-S573 PolarHBondContact OE1-OG 2.67Å; Q535-A574 HydrophobicContact CG-CB 4.34Å |
| 536 | G | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M532 I533 V534 S540 A558 | M532-G536 PolarHBondContact O-N 2.87Å; I533-G536 PolarHBondContact O-N 2.82Å; I533-G536 VanDerWaalsContact O-N 3.13Å; V534-G536 VanDerWaalsContact C-N 3.3Å; V534-G536 PolarHBondContact O-N 3.28Å; G536-S540 WeakPolarHBondContact O-CB 3.37Å; G536-S540 PolarHBondContact O-N 3.04Å; G536-S540 PolarHBondContact O-OG 3Å; G536-A558 VanDerWaalsContact CA-O 3.28Å; G536-A558 WeakPolarHBondContact CA-O 3.42Å |
| 537 | L | 91.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.1 | -68.6 | 174.3 | 0 | 0 | 0 | 111 | I533 V534 Q535 S540 N541 L542 L544 L547 L550 L555 A558 | I533-L537 HydrophobicContact CG2-CD1 4.12Å; I533-L537 HydrophobicContact CG2-CG 4.38Å; I533-L537 WeakPolarHBondContact O-CG 3.29Å; I533-L537 PolarHBondContact O-N 3.44Å; V534-L537 PolarHBondContact O-N 3.32Å; Q535-L537 VanDerWaalsContact C-N 3.33Å; Q535-L537 PolarHBondContact O-N 2.98Å; L537-S540 CarbonylContact O-C 3.58Å; L537-S540 PolarHBondContact O-N 3.36Å; L537-N541 PolarHBondContact O-N 2.95Å; L537-L542 HydrophobicContact CD2-CB 4.23Å; L537-L542 HydrophobicContact CD2-CD1 3.68Å; L537-L542 PolarHBondContact O-N 3.34Å; L537-L544 HydrophobicContact CB-CD2 3.65Å; L537-L544 HydrophobicContact CD1-CD2 3.96Å; L537-L544 HydrophobicContact CG-CD2 4.47Å; L537-L547 HydrophobicContact CD1-CD1 4.48Å; L537-L547 HydrophobicContact CD1-CD2 4.07Å; L537-L550 HydrophobicContact CD1-CD1 4.26Å; L537-L550 HydrophobicContact CD2-CD1 3.75Å; L537-L555 HydrophobicContact CD1-CD2 4.19Å; L537-A558 HydrophobicContact CD2-CB 3.73Å; L537-A558 HydrophobicContact CG-CB 3.89Å |
| 538 | R | 90.3 | Very high | 87.1 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -49.7 | 173.9 | -69.3 | 176.7 | 178.6 | 174.3 | -2.1 | 111.8 | V534 Q535 S540 N541 L544 | V534-R538 WeakPolarHBondContact O-CG 3.45Å; V534-R538 PolarHBondContact O-N 2.98Å; Q535-R538 VanDerWaalsContact NE2-NH1 3.18Å; Q535-R538 WeakPolarHBondContact O-CB 3.41Å; Q535-R538 PolarHBondContact O-N 3.26Å; R538-S540 PolarHBondContact O-N 3.03Å; R538-N541 PolarHBondContact O-N 2.96Å; R538-L544 HydrophobicContact CG-CD1 3.57Å; R538-L544 HydrophobicContact CG-CG 4.31Å; R538-L544 VanDerWaalsContact NE-CD1 3.35Å |
| 539 | L | 87.8 | Confident | 86.5 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -28.8 | 178.8 | -67.7 | 170.2 | 0 | 0 | 0 | 112 | Q535 N541 F561 A565 V570 | Q535-L539 WeakPolarHBondContact O-CB 3.38Å; Q535-L539 VanDerWaalsContact O-CG 3.27Å; Q535-L539 WeakPolarHBondContact O-CG 3.47Å; Q535-L539 PolarHBondContact O-N 2.81Å; L539-N541 VanDerWaalsContact C-N 3.26Å; L539-N541 PolarHBondContact O-N 2.97Å; L539-F561 HydrophobicContact CB-CD1 3.74Å; L539-F561 HydrophobicContact CB-CE1 3.42Å; L539-F561 VanDerWaalsContact CB-CE1 3.42Å; L539-A565 HydrophobicContact CD1-CB 4.38Å; L539-V570 HydrophobicContact CD1-CG2 4.1Å |
| 540 | S | 86.2 | Confident | 86.3 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.7 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | G536 L537 R538 L542 F561 | G536-S540 WeakPolarHBondContact O-CB 3.37Å; G536-S540 PolarHBondContact O-N 3.04Å; G536-S540 PolarHBondContact O-OG 3Å; L537-S540 CarbonylContact O-C 3.58Å; L537-S540 PolarHBondContact O-N 3.36Å; R538-S540 PolarHBondContact O-N 3.03Å; S540-L542 PolarHBondContact O-N 3.34Å; S540-F561 WeakPolarHBondContact OG-CD1 3.34Å |
| 541 | N | 83.4 | Confident | 85.9 | Confident | 153 Ų | 153 | 58.8 Ų | 58.8 | 82% | 0.818 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 31.8 | -173.9 | -63.3 | -44.7 | 0 | 0 | 0 | 113.7 | L537 R538 L539 | L537-N541 PolarHBondContact O-N 2.95Å; R538-N541 PolarHBondContact O-N 2.96Å; L539-N541 VanDerWaalsContact C-N 3.26Å; L539-N541 PolarHBondContact O-N 2.97Å |
| 542 | L | 82 | Confident | 85.3 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | trans | -87.4 | 138.3 | 175.5 | -69.5 | 172.4 | 0 | 0 | 0 | 110.1 | L537 S540 L544 L550 | L537-L542 HydrophobicContact CD2-CB 4.23Å; L537-L542 HydrophobicContact CD2-CD1 3.68Å; L537-L542 PolarHBondContact O-N 3.34Å; S540-L542 PolarHBondContact O-N 3.34Å; L542-L544 PolarHBondContact O-N 3.31Å; L542-L550 HydrophobicContact CD1-CD2 4.44Å | ||
| 543 | P | 77.7 | Confident | 84.8 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | trans | -64.2 | 131.9 | -178.4 | 26.3 | -33.4 | 0 | 0 | 0 | 110.9 | ||||
| 544 | L | 82.3 | Confident | 84.5 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -89.6 | -14.8 | 176.5 | -66.4 | -176.7 | 0 | 0 | 0 | 113.5 | V534 L537 R538 L542 D546 L591 | V534-L544 HydrophobicContact CG1-CD1 4.08Å; V534-L544 HydrophobicContact CG1-CD2 4.41Å; L537-L544 HydrophobicContact CB-CD2 3.65Å; L537-L544 HydrophobicContact CD1-CD2 3.96Å; L537-L544 HydrophobicContact CG-CD2 4.47Å; R538-L544 HydrophobicContact CG-CD1 3.57Å; R538-L544 HydrophobicContact CG-CG 4.31Å; R538-L544 VanDerWaalsContact NE-CD1 3.35Å; L542-L544 PolarHBondContact O-N 3.31Å; L544-D546 VanDerWaalsContact C-N 3.32Å; L544-D546 PolarHBondContact O-N 2.69Å; L544-L591 HydrophobicContact CB-CD1 4.39Å; L544-L591 HydrophobicContact CB-CD2 4.44Å; L544-L591 HydrophobicContact CD1-CD2 4.24Å; L544-L591 HydrophobicContact CD2-CD1 4.45Å; L544-L591 HydrophobicContact CD2-CD2 4.25Å; L544-L591 WeakPolarHBondContact O-CD1 3.4Å |
| 545 | N | 80.4 | Confident | 84.3 | Confident | 168 Ų | 168 | 66.1 Ų | 66.1 | 90% | 0.898 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -73.7 | -26.8 | -173.6 | -59.7 | -3.4 | 0 | 0 | 0 | 112.3 | ||
| 546 | D | 79.2 | Confident | 83.9 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | trans | -143.8 | 113 | 176.2 | -177.3 | 12.8 | 0 | 0 | 0 | 110.1 | L544 S548 | L544-D546 VanDerWaalsContact C-N 3.32Å; L544-D546 PolarHBondContact O-N 2.69Å; D546-S548 WeakPolarHBondContact OD1-CB 3.37Å; D546-S548 PolarHBondContact OD1-N 2.95Å; D546-S548 PolarHBondContact OD1-OG 3.02Å; D546-S548 PolarHBondContact OD2-OG 3.45Å | ||
| 547 | L | 82.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | trans | -96.1 | 3.5 | 176.1 | -53.4 | -171.7 | 0 | 0 | 0 | 112.7 | L537 Q549 L550 L591 I595 I598 | L537-L547 HydrophobicContact CD1-CD1 4.48Å; L537-L547 HydrophobicContact CD1-CD2 4.07Å; L547-Q549 PolarHBondContact O-N 3.06Å; L547-Q549 VanDerWaalsContact O-N 3.11Å; L547-L550 HydrophobicContact CB-CD1 4.31Å; L547-L550 HydrophobicContact CD2-CD1 3.74Å; L547-L550 WeakPolarHBondContact O-CB 3.43Å; L547-L550 PolarHBondContact O-N 2.65Å; L547-L591 HydrophobicContact CD1-CD1 3.56Å; L547-L591 HydrophobicContact CD2-CD1 4.11Å; L547-L591 HydrophobicContact CG-CD1 3.87Å; L547-I595 HydrophobicContact CD1-CD1 4.39Å; L547-I595 HydrophobicContact CD1-CG1 3.57Å; L547-I598 HydrophobicContact CB-CD1 3.93Å; L547-I598 WeakPolarHBondContact O-CD1 3.46Å | ||
| 548 | S | 77.3 | Confident | 83.6 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.4 | -173.2 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | D546 | D546-S548 WeakPolarHBondContact OD1-CB 3.37Å; D546-S548 PolarHBondContact OD1-N 2.95Å; D546-S548 PolarHBondContact OD1-OG 3.02Å; D546-S548 PolarHBondContact OD2-OG 3.45Å |
| 549 | Q | 78.7 | Confident | 83.6 | Confident | 174 Ų | 174 | 70.6 Ų | 70.6 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.3 | 178 | -60.2 | -163 | 0.5 | 0 | 0 | 113.9 | L547 | L547-Q549 PolarHBondContact O-N 3.06Å; L547-Q549 VanDerWaalsContact O-N 3.11Å |
| 550 | L | 85 | Confident | 83.5 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | trans | -85.8 | 146.2 | 179.7 | -60.6 | -174.9 | 0 | 0 | 0 | 111.7 | L537 L542 L547 Q554 L555 I598 | L537-L550 HydrophobicContact CD1-CD1 4.26Å; L537-L550 HydrophobicContact CD2-CD1 3.75Å; L542-L550 HydrophobicContact CD1-CD2 4.44Å; L547-L550 HydrophobicContact CB-CD1 4.31Å; L547-L550 HydrophobicContact CD2-CD1 3.74Å; L547-L550 WeakPolarHBondContact O-CB 3.43Å; L547-L550 PolarHBondContact O-N 2.65Å; L550-Q554 VanDerWaalsContact CA-OE1 3.3Å; L550-Q554 HydrophobicContact CD2-CB 4.36Å; L550-L555 HydrophobicContact CD1-CD2 4.28Å; L550-I598 HydrophobicContact CB-CD1 4.34Å | ||
| 551 | N | 84.3 | Confident | 83.6 | Confident | 78 Ų | 78 | 73 Ų | 73 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | trans | -111.9 | 168.4 | 172.3 | 63.7 | 49.3 | 0 | 0 | 0 | 112.2 | T553 Q554 L555 | N551-T553 PolarHBondContact O-N 2.9Å; N551-T553 VanDerWaalsContact O-N 3.14Å; N551-T553 WeakPolarHBondContact OD1-CA 2.86Å; N551-T553 VanDerWaalsContact OD1-CB 3.3Å; N551-T553 WeakPolarHBondContact OD1-CB 3.35Å; N551-T553 PolarHBondContact OD1-N 3.39Å; N551-Q554 PolarHBondContact ND2-OE1 3.29Å; N551-Q554 PolarHBondContact O-N 3.41Å; N551-Q554 PolarHBondContact OD1-N 3.47Å; N551-L555 PolarHBondContact O-N 2.84Å; N551-L555 VanDerWaalsContact O-N 3.13Å | ||
| 552 | S | 80.5 | Confident | 83.8 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.6 | -32.5 | 179.1 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | L555 A556 | S552-L555 PolarHBondContact O-N 2.75Å; S552-A556 WeakPolarHBondContact O-CB 3.26Å; S552-A556 PolarHBondContact O-N 3.34Å |
| 553 | T | 82.2 | Confident | 84 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71 | -38.5 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | N551 A556 K557 | N551-T553 PolarHBondContact O-N 2.9Å; N551-T553 VanDerWaalsContact O-N 3.14Å; N551-T553 WeakPolarHBondContact OD1-CA 2.86Å; N551-T553 VanDerWaalsContact OD1-CB 3.3Å; N551-T553 WeakPolarHBondContact OD1-CB 3.35Å; N551-T553 PolarHBondContact OD1-N 3.39Å; T553-A556 PolarHBondContact O-N 2.81Å; T553-K557 WeakPolarHBondContact O-CG 3.35Å; T553-K557 PolarHBondContact O-N 3.41Å |
| 554 | Q | 86.5 | Confident | 84.4 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 174.1 | -72.2 | 165 | -58.6 | 0 | 0 | 111.5 | L550 N551 A556 K557 A558 | L550-Q554 VanDerWaalsContact CA-OE1 3.3Å; L550-Q554 HydrophobicContact CD2-CB 4.36Å; N551-Q554 PolarHBondContact ND2-OE1 3.29Å; N551-Q554 PolarHBondContact O-N 3.41Å; N551-Q554 PolarHBondContact OD1-N 3.47Å; Q554-A556 PolarHBondContact O-N 3.24Å; Q554-K557 PolarHBondContact O-N 3.4Å; Q554-A558 PolarHBondContact O-N 3.14Å |
| 555 | L | 87.8 | Confident | 84.4 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.9 | -61.7 | 177.1 | 0 | 0 | 0 | 112 | I533 L537 L550 N551 S552 K557 A558 Y559 I595 I598 | I533-L555 HydrophobicContact CG2-CB 4.43Å; I533-L555 HydrophobicContact CG2-CD2 3.89Å; L537-L555 HydrophobicContact CD1-CD2 4.19Å; L550-L555 HydrophobicContact CD1-CD2 4.28Å; N551-L555 PolarHBondContact O-N 2.84Å; N551-L555 VanDerWaalsContact O-N 3.13Å; S552-L555 PolarHBondContact O-N 2.75Å; L555-K557 VanDerWaalsContact C-N 3.35Å; L555-K557 PolarHBondContact O-N 3.07Å; L555-A558 WeakPolarHBondContact O-CB 3.44Å; L555-A558 PolarHBondContact O-N 3.46Å; L555-Y559 PolarHBondContact O-N 3.38Å; L555-I595 HydrophobicContact CD1-CG2 4.18Å; L555-I598 HydrophobicContact CD1-CB 3.96Å; L555-I598 HydrophobicContact CD1-CD1 4.17Å; L555-I598 HydrophobicContact CD1-CG2 3.65Å |
| 556 | A | 85.3 | Confident | 84.5 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P491 S552 T553 Q554 Y559 I560 | P491-A556 HydrophobicContact CB-CB 4.38Å; P491-A556 HydrophobicContact CG-CB 4.15Å; S552-A556 WeakPolarHBondContact O-CB 3.26Å; S552-A556 PolarHBondContact O-N 3.34Å; T553-A556 PolarHBondContact O-N 2.81Å; Q554-A556 PolarHBondContact O-N 3.24Å; A556-Y559 PolarHBondContact O-N 3.36Å; A556-I560 VanDerWaalsContact O-CG1 3.3Å; A556-I560 WeakPolarHBondContact O-CG1 3.18Å; A556-I560 PolarHBondContact O-N 3Å |
| 557 | K | 87.5 | Confident | 84.9 | Confident | 140 Ų | 140 | 68.9 Ų | 68.9 | 61% | 0.609 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 173.7 | -76.1 | 176.1 | 180 | -178.6 | 0 | 111.8 | T553 Q554 L555 Y559 I560 F561 | T553-K557 WeakPolarHBondContact O-CG 3.35Å; T553-K557 PolarHBondContact O-N 3.41Å; Q554-K557 PolarHBondContact O-N 3.4Å; L555-K557 VanDerWaalsContact C-N 3.35Å; L555-K557 PolarHBondContact O-N 3.07Å; K557-Y559 PolarHBondContact O-N 2.88Å; K557-I560 PolarHBondContact O-N 2.86Å; K557-F561 WeakPolarHBondContact O-CB 3.37Å; K557-F561 PolarHBondContact O-N 3.25Å |
| 558 | A | 89.3 | Confident | 85.3 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 2% | 0.017 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G536 L537 Q554 L555 I560 F561 A562 | G536-A558 VanDerWaalsContact CA-O 3.28Å; G536-A558 WeakPolarHBondContact CA-O 3.42Å; L537-A558 HydrophobicContact CD2-CB 3.73Å; L537-A558 HydrophobicContact CG-CB 3.89Å; Q554-A558 PolarHBondContact O-N 3.14Å; L555-A558 WeakPolarHBondContact O-CB 3.44Å; L555-A558 PolarHBondContact O-N 3.46Å; A558-I560 PolarHBondContact O-N 3.16Å; A558-F561 PolarHBondContact O-N 3.5Å; A558-A562 PolarHBondContact O-N 3.49Å |
| 559 | Y | 89.2 | Confident | 85.9 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 24% | 0.239 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 174.6 | 177.8 | -93.9 | 0 | 0 | 0 | 112.5 | Q529 M532 I533 L555 A556 K557 F561 A562 H563 | Q529-Y559 HydrophobicContact CB-CE2 4.1Å; M532-Y559 HydrophobicContact CB-CD2 3.73Å; M532-Y559 HydrophobicContact CB-CE2 3.83Å; M532-Y559 HydrophobicContact CG-CE2 4.31Å; I533-Y559 HydrophobicContact CG1-CD2 4.22Å; L555-Y559 PolarHBondContact O-N 3.38Å; A556-Y559 PolarHBondContact O-N 3.36Å; K557-Y559 PolarHBondContact O-N 2.88Å; Y559-F561 VanDerWaalsContact C-N 3.3Å; Y559-F561 PolarHBondContact O-N 3.21Å; Y559-A562 PolarHBondContact O-N 3.43Å; Y559-H563 WeakPolarHBondContact O-CB 3.04Å; Y559-H563 PolarHBondContact O-N 2.92Å |
| 560 | I | 87.1 | Confident | 86.4 | Confident | 85 Ų | 85 | 67.3 Ų | 67.3 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 178.6 | -68.8 | 166 | 0 | 0 | 0 | 110.4 | A556 K557 A558 H563 Q564 | A556-I560 VanDerWaalsContact O-CG1 3.3Å; A556-I560 WeakPolarHBondContact O-CG1 3.18Å; A556-I560 PolarHBondContact O-N 3Å; K557-I560 PolarHBondContact O-N 2.86Å; A558-I560 PolarHBondContact O-N 3.16Å; I560-H563 PolarHBondContact O-N 3.39Å; I560-Q564 HydrophobicContact CG2-CG 4.12Å; I560-Q564 WeakPolarHBondContact O-CB 3.48Å; I560-Q564 VanDerWaalsContact O-CG 3.28Å; I560-Q564 WeakPolarHBondContact O-CG 3.33Å; I560-Q564 PolarHBondContact O-N 3.42Å |
| 561 | F | 87.3 | Confident | 86.6 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 179.8 | -170.6 | -125 | 0 | 0 | 0 | 111.9 | L539 S540 K557 A558 Y559 H563 Q564 A565 | L539-F561 HydrophobicContact CB-CD1 3.74Å; L539-F561 HydrophobicContact CB-CE1 3.42Å; L539-F561 VanDerWaalsContact CB-CE1 3.42Å; S540-F561 WeakPolarHBondContact OG-CD1 3.34Å; K557-F561 WeakPolarHBondContact O-CB 3.37Å; K557-F561 PolarHBondContact O-N 3.25Å; A558-F561 PolarHBondContact O-N 3.5Å; Y559-F561 VanDerWaalsContact C-N 3.3Å; Y559-F561 PolarHBondContact O-N 3.21Å; F561-H563 VanDerWaalsContact C-N 3.32Å; F561-H563 PolarHBondContact O-N 2.68Å; F561-Q564 PolarHBondContact O-N 3.14Å; F561-A565 PolarHBondContact O-N 3.44Å; F561-A565 VanDerWaalsContact O-N 3.08Å |
| 562 | A | 87.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M532 A558 Y559 V570 | M532-A562 HydrophobicContact CB-CB 4.47Å; M532-A562 HydrophobicContact CE-CB 3.77Å; M532-A562 WeakPolarHBondContact O-CB 3.31Å; A558-A562 PolarHBondContact O-N 3.49Å; Y559-A562 PolarHBondContact O-N 3.43Å; A562-V570 HydrophobicContact CB-CG1 4.09Å |
| 563 | H | 85.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.4 | -35.3 | 177.9 | -168 | -58.5 | 0 | 0 | 0 | 112.3 | M532 Y559 I560 F561 A565 N566 | M532-H563 HydrophobicContact CE-CB 4.31Å; Y559-H563 WeakPolarHBondContact O-CB 3.04Å; Y559-H563 PolarHBondContact O-N 2.92Å; I560-H563 PolarHBondContact O-N 3.39Å; F561-H563 VanDerWaalsContact C-N 3.32Å; F561-H563 PolarHBondContact O-N 2.68Å; H563-A565 VanDerWaalsContact C-N 3.35Å; H563-N566 PolarHBondContact O-N 2.98Å |
| 564 | Q | 86.3 | Confident | 87.8 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 66% | 0.659 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73 | -25.8 | 178.2 | -78 | 178.8 | -17.1 | 0 | 0 | 113.2 | I560 F561 N566 | I560-Q564 HydrophobicContact CG2-CG 4.12Å; I560-Q564 WeakPolarHBondContact O-CB 3.48Å; I560-Q564 VanDerWaalsContact O-CG 3.28Å; I560-Q564 WeakPolarHBondContact O-CG 3.33Å; I560-Q564 PolarHBondContact O-N 3.42Å; F561-Q564 PolarHBondContact O-N 3.14Å; Q564-N566 PolarHBondContact O-N 3.27Å |
| 565 | A | 83.9 | Confident | 88 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -28.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L539 F561 H563 D567 | L539-A565 HydrophobicContact CD1-CB 4.38Å; F561-A565 PolarHBondContact O-N 3.44Å; F561-A565 VanDerWaalsContact O-N 3.08Å; H563-A565 VanDerWaalsContact C-N 3.35Å; A565-D567 PolarHBondContact O-N 3.47Å |
| 566 | N | 81.8 | Confident | 88.2 | Confident | 144 Ų | 144 | 76.9 Ų | 76.9 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | trans | 47.8 | 31.1 | 179.5 | -155.9 | 35.9 | 0 | 0 | 0 | 113.7 | H563 Q564 | H563-N566 PolarHBondContact O-N 2.98Å; Q564-N566 PolarHBondContact O-N 3.27Å | ||
| 567 | D | 88.4 | Confident | 88.5 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.332 | 38% | 0.381 | S | S | . | . | trans | -94.5 | 121.2 | -176.3 | 179.1 | -4.3 | 0 | 0 | 0 | 109.9 | A565 L569 V570 V571 | A565-D567 PolarHBondContact O-N 3.47Å; D567-L569 PolarHBondContact O-N 3.07Å; D567-L569 VanDerWaalsContact O-N 3.16Å; D567-L569 WeakPolarHBondContact OD1-CB 3.27Å; D567-L569 PolarHBondContact OD1-N 3.45Å; D567-V570 HydrophobicContact CB-CB 4.22Å; D567-V570 HydrophobicContact CB-CG2 3.82Å; D567-V570 WeakPolarHBondContact O-CB 3.44Å; D567-V570 PolarHBondContact O-N 2.97Å; D567-V571 PolarHBondContact O-N 3.22Å | ||
| 568 | P | 89.3 | Confident | 88.7 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -53.1 | -31.5 | 174.4 | -26.4 | 34.9 | 0 | 0 | 0 | 114.1 | V571 K572 | P568-V571 PolarHBondContact O-N 3.16Å; P568-K572 WeakPolarHBondContact O-CB 3.09Å; P568-K572 PolarHBondContact O-N 2.93Å |
| 569 | L | 89.5 | Confident | 88.7 | Confident | 120 Ų | 120 | 74.6 Ų | 74.6 | 63% | 0.628 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.8 | -36.9 | 176.5 | -65.7 | 173.8 | 0 | 0 | 0 | 111.8 | D567 K572 S573 | D567-L569 PolarHBondContact O-N 3.07Å; D567-L569 VanDerWaalsContact O-N 3.16Å; D567-L569 WeakPolarHBondContact OD1-CB 3.27Å; D567-L569 PolarHBondContact OD1-N 3.45Å; L569-K572 PolarHBondContact O-N 2.82Å; L569-S573 WeakPolarHBondContact O-CB 3.3Å; L569-S573 PolarHBondContact O-N 3.39Å |
| 570 | V | 89.4 | Confident | 88.7 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | M532 Q535 L539 A562 D567 S573 A574 | M532-V570 HydrophobicContact CE-CG1 4.1Å; M532-V570 HydrophobicContact SD-CG1 4.19Å; Q535-V570 HydrophobicContact CB-CG1 3.91Å; Q535-V570 HydrophobicContact CG-CG1 4.29Å; L539-V570 HydrophobicContact CD1-CG2 4.1Å; A562-V570 HydrophobicContact CB-CG1 4.09Å; D567-V570 HydrophobicContact CB-CB 4.22Å; D567-V570 HydrophobicContact CB-CG2 3.82Å; D567-V570 WeakPolarHBondContact O-CB 3.44Å; D567-V570 PolarHBondContact O-N 2.97Å; V570-S573 PolarHBondContact O-N 3.17Å; V570-A574 VanDerWaalsContact O-CB 3.28Å; V570-A574 WeakPolarHBondContact O-CB 3.38Å; V570-A574 PolarHBondContact O-N 3Å |
| 571 | V | 89 | Confident | 88.9 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | D567 P568 A574 R575 | D567-V571 PolarHBondContact O-N 3.22Å; P568-V571 PolarHBondContact O-N 3.16Å; V571-A574 PolarHBondContact O-N 3.05Å; V571-R575 WeakPolarHBondContact O-CG 3.47Å; V571-R575 PolarHBondContact O-N 3.03Å; V571-R575 VanDerWaalsContact O-N 3.07Å |
| 572 | K | 91.5 | Very high | 88.8 | Confident | 125 Ų | 125 | 66.5 Ų | 66.5 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 176.2 | -170.6 | -172.2 | -178.5 | -158.5 | 0 | 111.2 | P568 L569 A574 R575 E576 | P568-K572 WeakPolarHBondContact O-CB 3.09Å; P568-K572 PolarHBondContact O-N 2.93Å; L569-K572 PolarHBondContact O-N 2.82Å; K572-A574 VanDerWaalsContact C-N 3.3Å; K572-A574 PolarHBondContact O-N 3.21Å; K572-R575 WeakPolarHBondContact O-CB 3.49Å; K572-R575 PolarHBondContact O-N 2.99Å; K572-E576 WeakPolarHBondContact CE-OE1 3.18Å; K572-E576 IonicContact NZ-OE1 3.63Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 3.39Å |
| 573 | S | 90.7 | Very high | 88.7 | Confident | 28 Ų | 28 | 71 Ų | 71 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 178.8 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | Q535 L569 V570 E576 F577 | Q535-S573 PolarHBondContact NE2-OG 3.39Å; Q535-S573 PolarHBondContact OE1-OG 2.67Å; L569-S573 WeakPolarHBondContact O-CB 3.3Å; L569-S573 PolarHBondContact O-N 3.39Å; V570-S573 PolarHBondContact O-N 3.17Å; S573-E576 PolarHBondContact O-N 3.31Å; S573-F577 WeakPolarHBondContact O-CB 3.41Å; S573-F577 PolarHBondContact O-N 3.48Å |
| 574 | A | 91.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G531 M532 Q535 V570 V571 K572 F578 | G531-A574 VanDerWaalsContact C-CB 3.46Å; M532-A574 HydrophobicContact CG-CB 3.95Å; M532-A574 HydrophobicContact SD-CB 3.56Å; M532-A574 VanDerWaalsContact SD-CB 3.56Å; Q535-A574 HydrophobicContact CG-CB 4.34Å; V570-A574 VanDerWaalsContact O-CB 3.28Å; V570-A574 WeakPolarHBondContact O-CB 3.38Å; V570-A574 PolarHBondContact O-N 3Å; V571-A574 PolarHBondContact O-N 3.05Å; K572-A574 VanDerWaalsContact C-N 3.3Å; K572-A574 PolarHBondContact O-N 3.21Å; A574-F578 PolarHBondContact O-N 3.23Å |
| 575 | R | 90.1 | Very high | 88.8 | Confident | 156 Ų | 156 | 62.9 Ų | 62.9 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.7 | -47.3 | 173 | -70.7 | 173.8 | -177.1 | -176.4 | 1.6 | 111.1 | T528 V571 K572 F577 F578 T579 | T528-R575 HydrophobicContact CG2-CG 3.95Å; V571-R575 WeakPolarHBondContact O-CG 3.47Å; V571-R575 PolarHBondContact O-N 3.03Å; V571-R575 VanDerWaalsContact O-N 3.07Å; K572-R575 WeakPolarHBondContact O-CB 3.49Å; K572-R575 PolarHBondContact O-N 2.99Å; R575-F577 PolarHBondContact O-N 2.81Å; R575-F578 PolarHBondContact O-N 3.11Å; R575-F578 VanDerWaalsContact O-N 3.1Å; R575-T579 PolarHBondContact O-N 2.84Å; R575-T579 PolarHBondContact O-OG1 3.01Å; R575-T579 VanDerWaalsContact O-OG1 3.09Å |
| 576 | E | 91.6 | Very high | 89 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.6 | -71.8 | 169.3 | 179.4 | 0 | 0 | 111.9 | K572 S573 F578 T579 A580 | K572-E576 WeakPolarHBondContact CE-OE1 3.18Å; K572-E576 IonicContact NZ-OE1 3.63Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 3.39Å; S573-E576 PolarHBondContact O-N 3.31Å; E576-F578 VanDerWaalsContact C-N 3.32Å; E576-F578 PolarHBondContact O-N 2.94Å; E576-T579 PolarHBondContact O-N 3.09Å; E576-A580 PolarHBondContact O-N 2.78Å |
| 577 | F | 92.6 | Very high | 89.3 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 4% | 0.044 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 173.2 | 174.2 | -91.6 | 0 | 0 | 0 | 111.4 | F530 G531 V534 S573 R575 A580 V581 E588 L591 W592 | F530-F577 HydrophobicContact CB-CE1 4.45Å; G531-F577 VanDerWaalsContact CA-CD1 3.44Å; V534-F577 HydrophobicContact CB-CD2 4.43Å; V534-F577 HydrophobicContact CB-CE2 4.39Å; V534-F577 HydrophobicContact CG1-CD2 4.11Å; V534-F577 HydrophobicContact CG1-CE2 4.16Å; V534-F577 HydrophobicContact CG2-CD1 4.43Å; V534-F577 HydrophobicContact CG2-CD2 4.36Å; V534-F577 HydrophobicContact CG2-CE1 3.94Å; V534-F577 HydrophobicContact CG2-CE2 3.88Å; V534-F577 HydrophobicContact CG2-CZ 3.65Å; S573-F577 WeakPolarHBondContact O-CB 3.41Å; S573-F577 PolarHBondContact O-N 3.48Å; R575-F577 PolarHBondContact O-N 2.81Å; F577-A580 WeakPolarHBondContact O-CB 3.44Å; F577-A580 PolarHBondContact O-N 3.27Å; F577-V581 HydrophobicContact CD1-CG2 4.23Å; F577-V581 HydrophobicContact CE1-CG2 3.7Å; F577-V581 HydrophobicContact CZ-CG2 3.86Å; F577-V581 WeakPolarHBondContact O-CG2 3.23Å; F577-V581 PolarHBondContact O-N 3.18Å; F577-E588 HydrophobicContact CD2-CB 4.04Å; F577-E588 HydrophobicContact CD2-CG 3.59Å; F577-E588 HydrophobicContact CE2-CB 3.61Å; F577-E588 HydrophobicContact CE2-CG 3.58Å; F577-E588 HydrophobicContact CZ-CB 4.15Å; F577-E588 WeakPolarHBondContact CZ-O 3.5Å; F577-L591 HydrophobicContact CE2-CB 4.48Å; F577-L591 HydrophobicContact CE2-CD2 3.91Å; F577-L591 HydrophobicContact CZ-CB 4.43Å; F577-L591 HydrophobicContact CZ-CD2 4.29Å; F577-L591 HydrophobicContact CZ-CG 4.5Å; F577-W592 HydrophobicContact CE1-CB 4.5Å; F577-W592 HydrophobicContact CZ-CB 4.33Å |
| 578 | F | 90.7 | Very high | 89.5 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | -178.5 | -176.5 | -111.9 | 0 | 0 | 0 | 111.8 | W526 G527 T528 A574 R575 E576 A580 V581 E582 | W526-F578 AromaticContact CD1-CZ 3.53Å; W526-F578 AromaticContact CD2-CE2 3.91Å; W526-F578 HydrophobicContact CD2-CE2 3.91Å; W526-F578 AromaticContact CD2-CZ 3.84Å; W526-F578 HydrophobicContact CD2-CZ 3.84Å; W526-F578 AromaticContact CE2-CZ 3.71Å; W526-F578 HydrophobicContact CE3-CE2 4.27Å; W526-F578 HydrophobicContact CG-CE2 4.13Å; W526-F578 AromaticContact CG-CZ 3.77Å; W526-F578 HydrophobicContact CG-CZ 3.77Å; W526-F578 HydrophobicContact CZ2-CZ 4.45Å; W526-F578 AromaticContact NE1-CZ 3.42Å; G527-F578 VanDerWaalsContact CA-CZ 3.43Å; G527-F578 VanDerWaalsContact O-CD2 3.29Å; G527-F578 WeakPolarHBondContact O-CD2 3.28Å; T528-F578 HydrophobicContact CG2-CB 4.46Å; T528-F578 HydrophobicContact CG2-CD1 4.23Å; A574-F578 PolarHBondContact O-N 3.23Å; R575-F578 PolarHBondContact O-N 3.11Å; R575-F578 VanDerWaalsContact O-N 3.1Å; E576-F578 VanDerWaalsContact C-N 3.32Å; E576-F578 PolarHBondContact O-N 2.94Å; F578-A580 PolarHBondContact O-N 2.9Å; F578-V581 WeakPolarHBondContact O-CA 3.32Å; F578-V581 WeakPolarHBondContact O-CB 3.26Å; F578-V581 PolarHBondContact O-N 2.8Å; F578-E582 HydrophobicContact CD1-CG 4.12Å; F578-E582 HydrophobicContact CE1-CG 3.7Å; F578-E582 WeakPolarHBondContact CE1-OE1 3.38Å; F578-E582 HydrophobicContact CE2-CG 4.2Å; F578-E582 HydrophobicContact CZ-CG 3.75Å; F578-E582 WeakPolarHBondContact O-CG 3.47Å; F578-E582 PolarHBondContact O-N 2.91Å |
| 579 | T | 88.5 | Confident | 89.6 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.3 | -39.9 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | R575 E576 E582 S583 | R575-T579 PolarHBondContact O-N 2.84Å; R575-T579 PolarHBondContact O-OG1 3.01Å; R575-T579 VanDerWaalsContact O-OG1 3.09Å; E576-T579 PolarHBondContact O-N 3.09Å; T579-E582 PolarHBondContact O-N 3.3Å; T579-S583 WeakPolarHBondContact O-CB 3.32Å; T579-S583 PolarHBondContact O-N 3.22Å; T579-S583 PolarHBondContact O-OG 3.33Å |
| 580 | A | 90.1 | Very high | 89.6 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E576 F577 F578 S583 G584 S585 E588 | E576-A580 PolarHBondContact O-N 2.78Å; F577-A580 WeakPolarHBondContact O-CB 3.44Å; F577-A580 PolarHBondContact O-N 3.27Å; F578-A580 PolarHBondContact O-N 2.9Å; A580-S583 WeakPolarHBondContact CA-OG 3.45Å; A580-S583 PolarHBondContact O-OG 3.21Å; A580-S583 VanDerWaalsContact O-OG 3.13Å; A580-G584 PolarHBondContact O-N 3.15Å; A580-S585 VanDerWaalsContact O-CB 3.28Å; A580-S585 WeakPolarHBondContact O-CB 3.49Å; A580-S585 PolarHBondContact O-N 2.75Å; A580-E588 HydrophobicContact CB-CB 4.25Å; A580-E588 HydrophobicContact CB-CG 3.94Å |
| 581 | V | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 171.7 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | W526 F577 F578 S583 G584 E588 W592 | W526-V581 HydrophobicContact CH2-CG1 4.15Å; W526-V581 HydrophobicContact CZ3-CG1 4.03Å; F577-V581 HydrophobicContact CD1-CG2 4.23Å; F577-V581 HydrophobicContact CE1-CG2 3.7Å; F577-V581 HydrophobicContact CZ-CG2 3.86Å; F577-V581 WeakPolarHBondContact O-CG2 3.23Å; F577-V581 PolarHBondContact O-N 3.18Å; F578-V581 WeakPolarHBondContact O-CA 3.32Å; F578-V581 WeakPolarHBondContact O-CB 3.26Å; F578-V581 PolarHBondContact O-N 2.8Å; V581-S583 VanDerWaalsContact C-N 3.34Å; V581-S583 PolarHBondContact O-N 3.39Å; V581-G584 PolarHBondContact O-N 3.21Å; V581-E588 HydrophobicContact CG2-CB 3.85Å; V581-W592 HydrophobicContact CG1-CB 4.29Å; V581-W592 HydrophobicContact CG1-CD2 4Å; V581-W592 HydrophobicContact CG1-CE3 4.14Å; V581-W592 HydrophobicContact CG1-CG 4.05Å; V581-W592 HydrophobicContact CG2-CB 4Å; V581-W592 HydrophobicContact CG2-CG 4.49Å |
| 582 | E | 86.2 | Confident | 89.9 | Confident | 47 Ų | 47 | 64 Ų | 64 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 178.4 | -62.9 | -162.4 | 121 | 0 | 0 | 112.1 | W526 F578 T579 G584 | W526-E582 HydrophobicContact CH2-CG 4.39Å; W526-E582 HydrophobicContact CZ2-CB 4.23Å; W526-E582 HydrophobicContact CZ2-CG 3.6Å; W526-E582 PolarHBondContact NE1-OE1 3.04Å; F578-E582 HydrophobicContact CD1-CG 4.12Å; F578-E582 HydrophobicContact CE1-CG 3.7Å; F578-E582 WeakPolarHBondContact CE1-OE1 3.38Å; F578-E582 HydrophobicContact CE2-CG 4.2Å; F578-E582 HydrophobicContact CZ-CG 3.75Å; F578-E582 WeakPolarHBondContact O-CG 3.47Å; F578-E582 PolarHBondContact O-N 2.91Å; T579-E582 PolarHBondContact O-N 3.3Å; E582-G584 PolarHBondContact O-N 3.26Å |
| 583 | S | 86 | Confident | 89.9 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 67% | 0.671 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.7 | 177.2 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | T579 A580 V581 | T579-S583 WeakPolarHBondContact O-CB 3.32Å; T579-S583 PolarHBondContact O-N 3.22Å; T579-S583 PolarHBondContact O-OG 3.33Å; A580-S583 WeakPolarHBondContact CA-OG 3.45Å; A580-S583 PolarHBondContact O-OG 3.21Å; A580-S583 VanDerWaalsContact O-OG 3.13Å; V581-S583 VanDerWaalsContact C-N 3.34Å; V581-S583 PolarHBondContact O-N 3.39Å |
| 584 | G | 83.8 | Confident | 89.9 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A580 V581 E582 H586 | A580-G584 PolarHBondContact O-N 3.15Å; V581-G584 PolarHBondContact O-N 3.21Å; E582-G584 PolarHBondContact O-N 3.26Å; G584-H586 PolarHBondContact O-N 3.3Å |
| 585 | S | 89.5 | Confident | 90 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | trans | -60.1 | 124.2 | 174.4 | -175 | 0 | 0 | 0 | 0 | 111.2 | A580 Q587 E588 R589 | A580-S585 VanDerWaalsContact O-CB 3.28Å; A580-S585 WeakPolarHBondContact O-CB 3.49Å; A580-S585 PolarHBondContact O-N 2.75Å; S585-Q587 PolarHBondContact O-N 3.37Å; S585-E588 WeakPolarHBondContact CB-OE2 3.28Å; S585-E588 PolarHBondContact OG-OE2 2.92Å; S585-R589 WeakPolarHBondContact O-CB 3.48Å; S585-R589 PolarHBondContact O-N 3.28Å | ||
| 586 | H | 88.3 | Confident | 90.1 | Very high | 143 Ų | 143 | 56.1 Ų | 56.1 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | -172 | -175.5 | -80.6 | 0 | 0 | 0 | 112.6 | G584 Q590 | G584-H586 PolarHBondContact O-N 3.3Å; H586-Q590 WeakPolarHBondContact O-CB 3.46Å; H586-Q590 PolarHBondContact O-N 3.39Å |
| 587 | Q | 88.8 | Confident | 90.1 | Very high | 149 Ų | 149 | 54.9 Ų | 54.9 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.3 | -50.4 | -175.9 | -67.7 | -175.7 | 0.1 | 0 | 0 | 111.7 | S585 R589 Q590 L591 | S585-Q587 PolarHBondContact O-N 3.37Å; Q587-R589 VanDerWaalsContact C-N 3.34Å; Q587-R589 PolarHBondContact O-N 2.97Å; Q587-Q590 PolarHBondContact O-N 3.33Å; Q587-L591 PolarHBondContact O-N 2.93Å |
| 588 | E | 91.4 | Very high | 90 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 179 | -71.6 | 75 | -168 | 0 | 0 | 111.7 | F577 A580 V581 S585 L591 W592 | F577-E588 HydrophobicContact CD2-CB 4.04Å; F577-E588 HydrophobicContact CD2-CG 3.59Å; F577-E588 HydrophobicContact CE2-CB 3.61Å; F577-E588 HydrophobicContact CE2-CG 3.58Å; F577-E588 HydrophobicContact CZ-CB 4.15Å; F577-E588 WeakPolarHBondContact CZ-O 3.5Å; A580-E588 HydrophobicContact CB-CB 4.25Å; A580-E588 HydrophobicContact CB-CG 3.94Å; V581-E588 HydrophobicContact CG2-CB 3.85Å; S585-E588 WeakPolarHBondContact CB-OE2 3.28Å; S585-E588 PolarHBondContact OG-OE2 2.92Å; E588-L591 PolarHBondContact O-N 3.5Å; E588-W592 WeakPolarHBondContact O-CB 3.22Å; E588-W592 PolarHBondContact O-N 3.49Å |
| 589 | R | 91.1 | Very high | 89.9 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 177 | -167.3 | 177.3 | -171.2 | 117.6 | -3.9 | 111.9 | S585 Q587 W592 Q593 | S585-R589 WeakPolarHBondContact O-CB 3.48Å; S585-R589 PolarHBondContact O-N 3.28Å; Q587-R589 VanDerWaalsContact C-N 3.34Å; Q587-R589 PolarHBondContact O-N 2.97Å; R589-W592 HydrophobicContact CG-CE3 4.15Å; R589-W592 HydrophobicContact CG-CZ3 4.48Å; R589-W592 PolarHBondContact O-N 3.36Å; R589-Q593 WeakPolarHBondContact O-CB 3.26Å; R589-Q593 VanDerWaalsContact O-CG 3.26Å; R589-Q593 WeakPolarHBondContact O-CG 3.29Å; R589-Q593 PolarHBondContact O-N 3.41Å |
| 590 | Q | 90.8 | Very high | 90.1 | Very high | 109 Ų | 109 | 53.1 Ų | 53.1 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.8 | -173.1 | 177.4 | 7.7 | 0 | 0 | 111.2 | H586 Q587 Q593 S594 | H586-Q590 WeakPolarHBondContact O-CB 3.46Å; H586-Q590 PolarHBondContact O-N 3.39Å; Q587-Q590 PolarHBondContact O-N 3.33Å; Q590-Q593 PolarHBondContact O-N 3.32Å; Q590-S594 PolarHBondContact O-N 3.1Å; Q590-S594 PolarHBondContact O-OG 3.5Å |
| 591 | L | 90.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.7 | -173.6 | 61.3 | 0 | 0 | 0 | 111.8 | V534 L544 L547 F577 Q587 E588 S594 I595 | V534-L591 HydrophobicContact CB-CD2 4.29Å; V534-L591 HydrophobicContact CG1-CD2 3.69Å; V534-L591 HydrophobicContact CG2-CD2 3.56Å; V534-L591 HydrophobicContact CG2-CG 4.01Å; L544-L591 HydrophobicContact CB-CD1 4.39Å; L544-L591 HydrophobicContact CB-CD2 4.44Å; L544-L591 HydrophobicContact CD1-CD2 4.24Å; L544-L591 HydrophobicContact CD2-CD1 4.45Å; L544-L591 HydrophobicContact CD2-CD2 4.25Å; L544-L591 WeakPolarHBondContact O-CD1 3.4Å; L547-L591 HydrophobicContact CD1-CD1 3.56Å; L547-L591 HydrophobicContact CD2-CD1 4.11Å; L547-L591 HydrophobicContact CG-CD1 3.87Å; F577-L591 HydrophobicContact CE2-CB 4.48Å; F577-L591 HydrophobicContact CE2-CD2 3.91Å; F577-L591 HydrophobicContact CZ-CB 4.43Å; F577-L591 HydrophobicContact CZ-CD2 4.29Å; F577-L591 HydrophobicContact CZ-CG 4.5Å; Q587-L591 PolarHBondContact O-N 2.93Å; E588-L591 PolarHBondContact O-N 3.5Å; L591-S594 PolarHBondContact O-N 2.83Å; L591-I595 WeakPolarHBondContact O-CG1 3.37Å; L591-I595 PolarHBondContact O-N 3.21Å; L591-I595 VanDerWaalsContact O-N 3.13Å |
| 592 | W | 93.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 174.9 | 166.2 | 76.6 | 0 | 0 | 0 | 112.4 | D525 W526 F530 F577 V581 E588 R589 S594 I595 C596 | D525-W592 HydrophobicContact CB-CZ2 4.34Å; D525-W592 WeakPolarHBondContact O-CZ2 3.36Å; D525-W592 PolarHBondContact O-NE1 3.49Å; D525-W592 WeakPolarHBondContact OD2-CZ2 3.37Å; W526-W592 HydrophobicContact CE3-CH2 4.32Å; W526-W592 AromaticContact CE3-CZ2 3.8Å; W526-W592 HydrophobicContact CE3-CZ2 3.8Å; W526-W592 AromaticContact CZ3-CH2 3.97Å; W526-W592 HydrophobicContact CZ3-CH2 3.97Å; W526-W592 AromaticContact CZ3-CZ2 3.84Å; W526-W592 HydrophobicContact CZ3-CZ2 3.84Å; W526-W592 HydrophobicContact CZ3-CZ3 4.46Å; F530-W592 AromaticContact CD1-CD1 3.57Å; F530-W592 AromaticContact CD1-NE1 3.95Å; F530-W592 AromaticContact CG-CD1 3.59Å; F530-W592 AromaticContact CG-NE1 3.94Å; F577-W592 HydrophobicContact CE1-CB 4.5Å; F577-W592 HydrophobicContact CZ-CB 4.33Å; V581-W592 HydrophobicContact CG1-CB 4.29Å; V581-W592 HydrophobicContact CG1-CD2 4Å; V581-W592 HydrophobicContact CG1-CE3 4.14Å; V581-W592 HydrophobicContact CG1-CG 4.05Å; V581-W592 HydrophobicContact CG2-CB 4Å; V581-W592 HydrophobicContact CG2-CG 4.49Å; E588-W592 WeakPolarHBondContact O-CB 3.22Å; E588-W592 PolarHBondContact O-N 3.49Å; R589-W592 HydrophobicContact CG-CE3 4.15Å; R589-W592 HydrophobicContact CG-CZ3 4.48Å; R589-W592 PolarHBondContact O-N 3.36Å; W592-S594 VanDerWaalsContact C-N 3.33Å; W592-S594 PolarHBondContact O-N 2.92Å; W592-I595 PolarHBondContact O-N 2.97Å; W592-C596 VanDerWaalsContact CE2-SG 3.56Å; W592-C596 PolarHBondContact NE1-SG 3.32Å; W592-C596 VanDerWaalsContact NE1-SG 3.41Å; W592-C596 PolarHBondContact O-N 3.32Å; W592-C596 PolarHBondContact O-SG 3.32Å |
| 593 | Q | 92.2 | Very high | 90.4 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.9 | -77.4 | 173 | -6 | 0 | 0 | 112.5 | R589 Q590 C596 S597 | R589-Q593 WeakPolarHBondContact O-CB 3.26Å; R589-Q593 VanDerWaalsContact O-CG 3.26Å; R589-Q593 WeakPolarHBondContact O-CG 3.29Å; R589-Q593 PolarHBondContact O-N 3.41Å; Q590-Q593 PolarHBondContact O-N 3.32Å; Q593-C596 PolarHBondContact O-N 3.36Å; Q593-S597 WeakPolarHBondContact O-CB 3.4Å; Q593-S597 PolarHBondContact O-N 2.87Å; Q593-S597 PolarHBondContact O-OG 3.47Å |
| 594 | S | 91.4 | Very high | 90.7 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | Q590 L591 W592 C596 S597 I598 | Q590-S594 PolarHBondContact O-N 3.1Å; Q590-S594 PolarHBondContact O-OG 3.5Å; L591-S594 PolarHBondContact O-N 2.83Å; W592-S594 VanDerWaalsContact C-N 3.33Å; W592-S594 PolarHBondContact O-N 2.92Å; S594-C596 PolarHBondContact O-N 2.93Å; S594-S597 PolarHBondContact O-N 2.99Å; S594-I598 WeakPolarHBondContact O-CG1 3.16Å; S594-I598 PolarHBondContact O-N 3.15Å; S594-I598 VanDerWaalsContact O-N 3.11Å |
| 595 | I | 91.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.9 | -65 | 167.8 | 0 | 0 | 0 | 110.7 | F530 I533 V534 L547 L555 L591 W592 S597 I598 G599 | F530-I595 HydrophobicContact CD1-CB 4.37Å; F530-I595 HydrophobicContact CD1-CG2 3.77Å; F530-I595 HydrophobicContact CE1-CG2 3.9Å; I533-I595 HydrophobicContact CB-CD1 4.46Å; I533-I595 HydrophobicContact CD1-CG2 4.07Å; I533-I595 HydrophobicContact CG2-CD1 3.91Å; I533-I595 HydrophobicContact CG2-CG1 4.46Å; I533-I595 HydrophobicContact CG2-CG2 4.46Å; V534-I595 HydrophobicContact CG2-CD1 3.68Å; L547-I595 HydrophobicContact CD1-CD1 4.39Å; L547-I595 HydrophobicContact CD1-CG1 3.57Å; L555-I595 HydrophobicContact CD1-CG2 4.18Å; L591-I595 WeakPolarHBondContact O-CG1 3.37Å; L591-I595 PolarHBondContact O-N 3.21Å; L591-I595 VanDerWaalsContact O-N 3.13Å; W592-I595 PolarHBondContact O-N 2.97Å; I595-S597 PolarHBondContact O-N 2.88Å; I595-I598 PolarHBondContact O-N 3.44Å; I595-G599 PolarHBondContact O-N 2.94Å |
| 596 | C | 92.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 177.4 | -66 | 0 | 0 | 0 | 0 | 111.7 | W592 Q593 S594 I598 G599 V600 | W592-C596 VanDerWaalsContact CE2-SG 3.56Å; W592-C596 PolarHBondContact NE1-SG 3.32Å; W592-C596 VanDerWaalsContact NE1-SG 3.41Å; W592-C596 PolarHBondContact O-N 3.32Å; W592-C596 PolarHBondContact O-SG 3.32Å; Q593-C596 PolarHBondContact O-N 3.36Å; S594-C596 PolarHBondContact O-N 2.93Å; C596-I598 PolarHBondContact O-N 3.37Å; C596-G599 PolarHBondContact O-N 3.47Å; C596-V600 WeakPolarHBondContact O-CG2 3.4Å; C596-V600 PolarHBondContact O-N 3.23Å |
| 597 | S | 91.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | Q593 S594 I595 G599 V600 A601 | Q593-S597 WeakPolarHBondContact O-CB 3.4Å; Q593-S597 PolarHBondContact O-N 2.87Å; Q593-S597 PolarHBondContact O-OG 3.47Å; S594-S597 PolarHBondContact O-N 2.99Å; I595-S597 PolarHBondContact O-N 2.88Å; S597-G599 VanDerWaalsContact C-N 3.33Å; S597-G599 PolarHBondContact O-N 2.9Å; S597-V600 PolarHBondContact O-N 3.09Å; S597-A601 WeakPolarHBondContact O-CB 3.43Å; S597-A601 PolarHBondContact O-N 3.12Å |
| 598 | I | 90.7 | Very high | 91.7 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -44 | 175.7 | -66.6 | 163.9 | 0 | 0 | 0 | 110.8 | L547 L550 L555 S594 I595 C596 E602 | L547-I598 HydrophobicContact CB-CD1 3.93Å; L547-I598 WeakPolarHBondContact O-CD1 3.46Å; L550-I598 HydrophobicContact CB-CD1 4.34Å; L555-I598 HydrophobicContact CD1-CB 3.96Å; L555-I598 HydrophobicContact CD1-CD1 4.17Å; L555-I598 HydrophobicContact CD1-CG2 3.65Å; S594-I598 WeakPolarHBondContact O-CG1 3.16Å; S594-I598 PolarHBondContact O-N 3.15Å; S594-I598 VanDerWaalsContact O-N 3.11Å; I595-I598 PolarHBondContact O-N 3.44Å; C596-I598 PolarHBondContact O-N 3.37Å; I598-E602 PolarHBondContact O-N 2.99Å |
| 599 | G | 89.8 | Confident | 91.6 | Very high | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I488 I595 C596 S597 E602 L603 | I488-G599 VanDerWaalsContact CG2-CA 3.48Å; I595-G599 PolarHBondContact O-N 2.94Å; C596-G599 PolarHBondContact O-N 3.47Å; S597-G599 VanDerWaalsContact C-N 3.33Å; S597-G599 PolarHBondContact O-N 2.9Å; G599-E602 PolarHBondContact O-N 3.42Å; G599-L603 VanDerWaalsContact O-CG 3.31Å; G599-L603 WeakPolarHBondContact O-CG 3.38Å; G599-L603 PolarHBondContact O-N 3.42Å |
| 600 | V | 91.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | I488 L523 C596 S597 E602 L603 E604 | I488-V600 HydrophobicContact CD1-CG2 3.86Å; L523-V600 HydrophobicContact CD1-CG2 3.82Å; C596-V600 WeakPolarHBondContact O-CG2 3.4Å; C596-V600 PolarHBondContact O-N 3.23Å; S597-V600 PolarHBondContact O-N 3.09Å; V600-E602 VanDerWaalsContact C-N 3.25Å; V600-E602 PolarHBondContact O-N 2.97Å; V600-L603 WeakPolarHBondContact O-CB 3.44Å; V600-L603 PolarHBondContact O-N 3.21Å; V600-L603 VanDerWaalsContact O-N 3.11Å; V600-E604 HydrophobicContact CG1-CG 4.35Å; V600-E604 WeakPolarHBondContact O-CG 3.31Å; V600-E604 PolarHBondContact O-N 2.89Å |
| 601 | A | 90.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -34.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S597 K605 | S597-A601 WeakPolarHBondContact O-CB 3.43Å; S597-A601 PolarHBondContact O-N 3.12Å; A601-K605 WeakPolarHBondContact O-CG 3.15Å; A601-K605 PolarHBondContact O-N 2.9Å |
| 602 | E | 89.9 | Confident | 91.7 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.9 | -42 | 174.4 | -173.7 | 64.6 | -174 | 0 | 0 | 112.1 | I598 G599 V600 E604 K605 I606 | I598-E602 PolarHBondContact O-N 2.99Å; G599-E602 PolarHBondContact O-N 3.42Å; V600-E602 VanDerWaalsContact C-N 3.25Å; V600-E602 PolarHBondContact O-N 2.97Å; E602-E604 VanDerWaalsContact C-N 3.31Å; E602-E604 PolarHBondContact O-N 3.13Å; E602-K605 PolarHBondContact O-N 3.06Å; E602-K605 IonicContact OE2-NZ 3.77Å; E602-K605 PolarHBondContact OE2-NZ 3.26Å; E602-I606 HydrophobicContact CG-CD1 4.4Å; E602-I606 WeakPolarHBondContact O-CG1 3.44Å; E602-I606 PolarHBondContact O-N 3.23Å |
| 603 | L | 92.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 175.7 | -71.6 | 173.9 | 0 | 0 | 0 | 111.5 | P486 I488 F492 L523 G599 V600 K605 I606 Y607 | P486-L603 HydrophobicContact CG-CD1 3.71Å; P486-L603 HydrophobicContact CG-CD2 3.95Å; I488-L603 HydrophobicContact CG1-CD1 4.48Å; F492-L603 HydrophobicContact CB-CD2 4.07Å; F492-L603 HydrophobicContact CD2-CD2 3.37Å; F492-L603 HydrophobicContact CE2-CD2 4.08Å; F492-L603 HydrophobicContact CG-CD2 4Å; L523-L603 HydrophobicContact CD2-CD1 4.2Å; G599-L603 VanDerWaalsContact O-CG 3.31Å; G599-L603 WeakPolarHBondContact O-CG 3.38Å; G599-L603 PolarHBondContact O-N 3.42Å; V600-L603 WeakPolarHBondContact O-CB 3.44Å; V600-L603 PolarHBondContact O-N 3.21Å; V600-L603 VanDerWaalsContact O-N 3.11Å; L603-K605 VanDerWaalsContact C-N 3.32Å; L603-K605 PolarHBondContact O-N 3.32Å; L603-I606 PolarHBondContact O-N 3.32Å; L603-I606 VanDerWaalsContact O-N 3.17Å; L603-Y607 HydrophobicContact CB-CD2 4.19Å; L603-Y607 HydrophobicContact CB-CE2 3.68Å; L603-Y607 WeakPolarHBondContact O-CB 3.33Å; L603-Y607 WeakPolarHBondContact O-CD2 3.44Å; L603-Y607 PolarHBondContact O-N 3.46Å |
| 604 | E | 92.5 | Very high | 91.8 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59 | -39.8 | 176.8 | -74 | -177.2 | 159.9 | 0 | 0 | 112.9 | V600 E602 Y607 K608 | V600-E604 HydrophobicContact CG1-CG 4.35Å; V600-E604 WeakPolarHBondContact O-CG 3.31Å; V600-E604 PolarHBondContact O-N 2.89Å; E602-E604 VanDerWaalsContact C-N 3.31Å; E602-E604 PolarHBondContact O-N 3.13Å; E604-Y607 PolarHBondContact O-N 3.19Å; E604-K608 WeakPolarHBondContact O-CB 3.36Å; E604-K608 PolarHBondContact O-N 2.95Å |
| 605 | K | 91.7 | Very high | 92.1 | Very high | 132 Ų | 132 | 47.3 Ų | 47.3 | 57% | 0.574 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63 | -45.2 | 174.8 | -66.1 | 173 | -164.2 | 161.7 | 0 | 111.3 | A601 E602 L603 K608 Q609 | A601-K605 WeakPolarHBondContact O-CG 3.15Å; A601-K605 PolarHBondContact O-N 2.9Å; E602-K605 PolarHBondContact O-N 3.06Å; E602-K605 IonicContact OE2-NZ 3.77Å; E602-K605 PolarHBondContact OE2-NZ 3.26Å; L603-K605 VanDerWaalsContact C-N 3.32Å; L603-K605 PolarHBondContact O-N 3.32Å; K605-K608 PolarHBondContact O-N 3.07Å; K605-Q609 PolarHBondContact O-N 3.23Å |
| 606 | I | 92.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.4 | -63.2 | 172.5 | 0 | 0 | 0 | 110.2 | F492 E602 L603 K608 Q609 L610 | F492-I606 HydrophobicContact CB-CD1 3.7Å; F492-I606 HydrophobicContact CD1-CD1 4.14Å; F492-I606 HydrophobicContact CD1-CG2 3.76Å; F492-I606 HydrophobicContact CE1-CG2 3.82Å; F492-I606 HydrophobicContact CG-CD1 4.11Å; F492-I606 HydrophobicContact CG-CG2 4.49Å; E602-I606 HydrophobicContact CG-CD1 4.4Å; E602-I606 WeakPolarHBondContact O-CG1 3.44Å; E602-I606 PolarHBondContact O-N 3.23Å; L603-I606 PolarHBondContact O-N 3.32Å; L603-I606 VanDerWaalsContact O-N 3.17Å; I606-K608 VanDerWaalsContact C-N 3.33Å; I606-K608 PolarHBondContact O-N 3.35Å; I606-Q609 PolarHBondContact O-N 3.4Å; I606-Q609 VanDerWaalsContact O-N 3.15Å; I606-L610 HydrophobicContact CG2-CD1 3.79Å; I606-L610 HydrophobicContact CG2-CG 4.19Å; I606-L610 WeakPolarHBondContact O-CB 3.45Å; I606-L610 WeakPolarHBondContact O-CG 3.44Å; I606-L610 PolarHBondContact O-N 2.78Å |
| 607 | Y | 94.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 176.6 | -65.9 | -34.5 | 0 | 0 | 0 | 112.2 | S484 P486 F492 T500 N521 L603 E604 L610 G611 A612 F614 F617 | S484-Y607 WeakPolarHBondContact OG-CE1 3.47Å; S484-Y607 PolarHBondContact OG-OH 3.49Å; P486-Y607 WeakPolarHBondContact CD-OH 3.48Å; P486-Y607 WeakPolarHBondContact CG-OH 3.34Å; F492-Y607 HydrophobicContact CE2-CE1 4.01Å; F492-Y607 HydrophobicContact CZ-CE1 4.11Å; T500-Y607 HydrophobicContact CG2-CD1 4Å; T500-Y607 HydrophobicContact CG2-CE1 4.05Å; N521-Y607 WeakPolarHBondContact ND2-CE2 3.3Å; N521-Y607 PolarHBondContact ND2-OH 3.08Å; L603-Y607 HydrophobicContact CB-CD2 4.19Å; L603-Y607 HydrophobicContact CB-CE2 3.68Å; L603-Y607 WeakPolarHBondContact O-CB 3.33Å; L603-Y607 WeakPolarHBondContact O-CD2 3.44Å; L603-Y607 PolarHBondContact O-N 3.46Å; E604-Y607 PolarHBondContact O-N 3.19Å; Y607-L610 CarbonylContact O-C 3.54Å; Y607-L610 PolarHBondContact O-N 3.07Å; Y607-G611 CarbonylContact O-C 3.58Å; Y607-G611 WeakPolarHBondContact O-CA 3.46Å; Y607-G611 PolarHBondContact O-N 3.15Å; Y607-A612 HydrophobicContact CD1-CB 3.95Å; Y607-A612 HydrophobicContact CG-CB 4.24Å; Y607-A612 PolarHBondContact O-N 3.45Å; Y607-F614 AromaticContact CD1-CE2 3.98Å; Y607-F614 HydrophobicContact CD1-CE2 3.98Å; Y607-F614 HydrophobicContact CD2-CD2 4.24Å; Y607-F614 AromaticContact CD2-CE2 3.68Å; Y607-F614 HydrophobicContact CD2-CE2 3.68Å; Y607-F614 HydrophobicContact CE1-CE2 4.1Å; Y607-F614 HydrophobicContact CE1-CZ 4.32Å; Y607-F614 HydrophobicContact CE2-CD2 4.49Å; Y607-F614 AromaticContact CE2-CE2 3.8Å; Y607-F614 HydrophobicContact CE2-CE2 3.8Å; Y607-F614 HydrophobicContact CE2-CZ 4.48Å; Y607-F614 AromaticContact CG-CE2 3.79Å; Y607-F614 HydrophobicContact CG-CE2 3.79Å; Y607-F617 HydrophobicContact CD2-CE1 4.32Å; Y607-F617 HydrophobicContact CD2-CZ 4.37Å; Y607-F617 HydrophobicContact CE2-CE1 4.07Å |
| 608 | K | 92.1 | Very high | 92.6 | Very high | 183 Ų | 183 | 48.5 Ų | 48.5 | 80% | 0.796 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.5 | -43.9 | 172.2 | -172.7 | 177.2 | -177.8 | 177 | 0 | 111.5 | E604 K605 I606 G611 | E604-K608 WeakPolarHBondContact O-CB 3.36Å; E604-K608 PolarHBondContact O-N 2.95Å; K605-K608 PolarHBondContact O-N 3.07Å; I606-K608 VanDerWaalsContact C-N 3.33Å; I606-K608 PolarHBondContact O-N 3.35Å; K608-G611 PolarHBondContact O-N 3.17Å |
| 609 | Q | 90.6 | Very high | 92.8 | Very high | 80 Ų | 80 | 52 Ų | 52 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.5 | -174.1 | 177.2 | 2.4 | 0 | 0 | 112.6 | K605 I606 G611 L744 L777 | K605-Q609 PolarHBondContact O-N 3.23Å; I606-Q609 PolarHBondContact O-N 3.4Å; I606-Q609 VanDerWaalsContact O-N 3.15Å; Q609-G611 PolarHBondContact O-N 2.66Å; Q609-L744 HydrophobicContact CG-CD1 4.21Å; Q609-L777 WeakPolarHBondContact O-CD2 3.48Å |
| 610 | L | 92.2 | Very high | 93 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.6 | -9 | 176.2 | -65.6 | 178.8 | 0 | 0 | 0 | 112.6 | F492 L497 T500 R504 I606 Y607 L744 L777 | F492-L610 HydrophobicContact CE1-CD1 4.13Å; L497-L610 HydrophobicContact CD1-CD1 3.87Å; L497-L610 HydrophobicContact CD1-CD2 3.74Å; L497-L610 HydrophobicContact CD1-CG 4.49Å; T500-L610 HydrophobicContact CG2-CD1 4Å; R504-L610 PolarHBondContact NH1-O 3.15Å; I606-L610 HydrophobicContact CG2-CD1 3.79Å; I606-L610 HydrophobicContact CG2-CG 4.19Å; I606-L610 WeakPolarHBondContact O-CB 3.45Å; I606-L610 WeakPolarHBondContact O-CG 3.44Å; I606-L610 PolarHBondContact O-N 2.78Å; Y607-L610 CarbonylContact O-C 3.54Å; Y607-L610 PolarHBondContact O-N 3.07Å; L610-L744 HydrophobicContact CD2-CD1 4.12Å; L610-L777 HydrophobicContact CD2-CD1 3.93Å |
| 611 | G | 89.2 | Confident | 93.1 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 19% | 0.186 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 51.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R504 Y607 K608 Q609 R922 | R504-G611 WeakPolarHBondContact CD-O 3.42Å; Y607-G611 CarbonylContact O-C 3.58Å; Y607-G611 WeakPolarHBondContact O-CA 3.46Å; Y607-G611 PolarHBondContact O-N 3.15Å; K608-G611 PolarHBondContact O-N 3.17Å; Q609-G611 PolarHBondContact O-N 2.66Å; G611-R922 VanDerWaalsContact O-CD 3.23Å; G611-R922 WeakPolarHBondContact O-CD 3.44Å; G611-R922 PolarHBondContact O-NH1 3.11Å |
| 612 | A | 92.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | trans | -89.8 | 147.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y483 T500 Y607 F614 | Y483-A612 HydrophobicContact CE2-CB 4.35Å; T500-A612 HydrophobicContact CG2-CB 3.67Å; Y607-A612 HydrophobicContact CD1-CB 3.95Å; Y607-A612 HydrophobicContact CG-CB 4.24Å; Y607-A612 PolarHBondContact O-N 3.45Å; A612-F614 HydrophobicContact CB-CE2 3.93Å; A612-F614 HydrophobicContact CB-CZ 4.26Å | ||
| 613 | H | 91.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | trans | -130.3 | 137.7 | 178.8 | 172.4 | 77.3 | 0 | 0 | 0 | 108.9 | Y483 A519 D615 | Y483-H613 PolarHBondContact OH-N 3.05Å; Y483-H613 PolarHBondContact OH-O 3.35Å; A519-H613 WeakPolarHBondContact CB-O 3.48Å; H613-D615 IonicContact CD2-OD1 2.76Å; H613-D615 IonicContact CE1-OD1 3.87Å; H613-D615 IonicContact NE2-OD1 2.74Å; H613-D615 PolarHBondContact NE2-OD1 2.99Å | ||
| 614 | F | 96.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | trans | -132.7 | 135 | 177.3 | -59.1 | -77.9 | 0 | 0 | 0 | 108.7 | Y483 A519 N521 Y607 A612 F617 | Y483-F614 HydrophobicContact CD1-CD1 4.41Å; Y483-F614 AromaticContact CD1-CE1 3.79Å; Y483-F614 HydrophobicContact CD1-CE1 3.79Å; Y483-F614 AromaticContact CD2-CE1 3.99Å; Y483-F614 HydrophobicContact CD2-CE1 3.99Å; Y483-F614 HydrophobicContact CD2-CZ 4.14Å; Y483-F614 AromaticContact CE1-CD1 3.78Å; Y483-F614 HydrophobicContact CE1-CD1 3.78Å; Y483-F614 AromaticContact CE1-CE1 3.36Å; Y483-F614 HydrophobicContact CE1-CE1 3.36Å; Y483-F614 HydrophobicContact CE1-CZ 4.19Å; Y483-F614 AromaticContact CE2-CE1 3.59Å; Y483-F614 HydrophobicContact CE2-CE1 3.59Å; Y483-F614 AromaticContact CE2-CZ 3.57Å; Y483-F614 HydrophobicContact CE2-CZ 3.57Å; Y483-F614 HydrophobicContact CG-CE1 4.07Å; Y483-F614 AromaticContact CZ-CD1 3.88Å; Y483-F614 AromaticContact CZ-CE1 3.24Å; Y483-F614 AromaticContact CZ-CZ 3.59Å; A519-F614 HydrophobicContact CB-CD1 4.47Å; N521-F614 HydrophobicContact CB-CB 4.41Å; N521-F614 HydrophobicContact CB-CD1 3.49Å; N521-F614 VanDerWaalsContact CB-CD1 3.49Å; N521-F614 HydrophobicContact CB-CD2 4.21Å; N521-F614 HydrophobicContact CB-CE1 3.62Å; N521-F614 HydrophobicContact CB-CE2 4.36Å; N521-F614 HydrophobicContact CB-CG 3.78Å; N521-F614 HydrophobicContact CB-CZ 4.08Å; N521-F614 VanDerWaalsContact ND2-CE2 3.27Å; N521-F614 WeakPolarHBondContact ND2-CE2 3.45Å; N521-F614 WeakPolarHBondContact ND2-CZ 3.3Å; Y607-F614 AromaticContact CD1-CE2 3.98Å; Y607-F614 HydrophobicContact CD1-CE2 3.98Å; Y607-F614 HydrophobicContact CD2-CD2 4.24Å; Y607-F614 AromaticContact CD2-CE2 3.68Å; Y607-F614 HydrophobicContact CD2-CE2 3.68Å; Y607-F614 HydrophobicContact CE1-CE2 4.1Å; Y607-F614 HydrophobicContact CE1-CZ 4.32Å; Y607-F614 HydrophobicContact CE2-CD2 4.49Å; Y607-F614 AromaticContact CE2-CE2 3.8Å; Y607-F614 HydrophobicContact CE2-CE2 3.8Å; Y607-F614 HydrophobicContact CE2-CZ 4.48Å; Y607-F614 AromaticContact CG-CE2 3.79Å; Y607-F614 HydrophobicContact CG-CE2 3.79Å; A612-F614 HydrophobicContact CB-CE2 3.93Å; A612-F614 HydrophobicContact CB-CZ 4.26Å; F614-F617 HydrophobicContact CB-CD2 4.41Å; F614-F617 HydrophobicContact CB-CE2 3.98Å; F614-F617 HydrophobicContact CB-CZ 4.18Å; F614-F617 HydrophobicContact CD2-CE1 4.16Å; F614-F617 HydrophobicContact CD2-CE2 4.4Å; F614-F617 AromaticContact CD2-CZ 3.78Å; F614-F617 HydrophobicContact CD2-CZ 3.78Å; F614-F617 HydrophobicContact CG-CZ 4.3Å | ||
| 615 | D | 97.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -84.8 | -26.3 | 173.7 | -58 | -56.8 | 0 | 0 | 0 | 110.8 | T518 A519 H613 | T518-D615 WeakPolarHBondContact CA-OD2 3.46Å; T518-D615 HydrophobicContact CG2-CB 4.09Å; A519-D615 PolarHBondContact N-OD2 3.27Å; A519-D615 PolarHBondContact O-N 2.9Å; H613-D615 IonicContact CD2-OD1 2.76Å; H613-D615 IonicContact CE1-OD1 3.87Å; H613-D615 IonicContact NE2-OD1 2.74Å; H613-D615 PolarHBondContact NE2-OD1 2.99Å |
| 616 | S | 95.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 137.3 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | A519 N521 | A519-S616 PolarHBondContact O-N 2.86Å; N521-S616 PolarHBondContact N-O 3.32Å |
| 617 | F | 95.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 48 Ų | 48 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 103.8 | 163.9 | -74.3 | -93.8 | 0 | 0 | 0 | 107.9 | N521 L523 Y607 F614 | N521-F617 HydrophobicContact CB-CD1 3.78Å; N521-F617 HydrophobicContact CB-CE1 4.02Å; N521-F617 HydrophobicContact CB-CG 4.46Å; L523-F617 HydrophobicContact CD1-CD1 4.01Å; L523-F617 HydrophobicContact CG-CD1 4.4Å; Y607-F617 HydrophobicContact CD2-CE1 4.32Å; Y607-F617 HydrophobicContact CD2-CZ 4.37Å; Y607-F617 HydrophobicContact CE2-CE1 4.07Å; F614-F617 HydrophobicContact CB-CD2 4.41Å; F614-F617 HydrophobicContact CB-CE2 3.98Å; F614-F617 HydrophobicContact CB-CZ 4.18Å; F614-F617 HydrophobicContact CD2-CE1 4.16Å; F614-F617 HydrophobicContact CD2-CE2 4.4Å; F614-F617 AromaticContact CD2-CZ 3.78Å; F614-F617 HydrophobicContact CD2-CZ 3.78Å; F614-F617 HydrophobicContact CG-CZ 4.3Å |
| 618 | E | 96 | Very high | 93.7 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 157 | 174.3 | -68.5 | 179.9 | -179.3 | 0 | 0 | 109.5 | I520 N521 Y522 L523 Y623 R679 | I520-E618 HydrophobicContact CG2-CB 4.12Å; I520-E618 HydrophobicContact CG2-CG 3.88Å; I520-E618 WeakPolarHBondContact CG2-OE2 3.12Å; N521-E618 PolarHBondContact O-N 2.78Å; N521-E618 VanDerWaalsContact O-O 3.11Å; Y522-E618 HydrophobicContact CD2-CB 3.77Å; Y522-E618 HydrophobicContact CE2-CB 4.45Å; L523-E618 PolarHBondContact N-O 2.89Å; E618-Y623 HydrophobicContact CB-CE2 4.33Å; E618-Y623 PolarHBondContact OE1-OH 3.32Å; E618-Y623 PolarHBondContact OE2-OH 2.91Å; E618-R679 IonicContact OE1-NE 3.85Å; E618-R679 IonicContact OE2-CZ 3.73Å; E618-R679 VanDerWaalsContact OE2-CZ 3.23Å; E618-R679 IonicContact OE2-NE 2.85Å; E618-R679 PolarHBondContact OE2-NE 2.72Å; E618-R679 IonicContact OE2-NH2 3.65Å; E618-R679 PolarHBondContact OE2-NH2 3.5Å |
| 619 | R | 94.2 | Very high | 93.8 | Very high | 101 Ų | 101 | 47.1 Ų | 47.1 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 138.4 | -175 | -75.4 | 178.1 | -69.5 | 178.9 | -2.5 | 110.2 | D525 S621 Q622 Y623 | D525-R619 WeakPolarHBondContact OD2-CB 3.46Å; D525-R619 VanDerWaalsContact OD2-CD 3.29Å; D525-R619 WeakPolarHBondContact OD2-CD 3.26Å; R619-S621 PolarHBondContact O-N 3.04Å; R619-Q622 HydrophobicContact CB-CG 3.98Å; R619-Q622 VanDerWaalsContact O-CB 3.32Å; R619-Q622 WeakPolarHBondContact O-CB 3.41Å; R619-Q622 PolarHBondContact O-N 3.15Å; R619-Y623 WeakPolarHBondContact O-CD2 3.32Å |
| 620 | E | 94.4 | Very high | 94 | Very high | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -53.8 | -38.7 | 175.2 | -175.6 | 177.1 | 175.1 | 0 | 0 | 111.7 | L523 D525 W526 Q622 Y623 Y668 R671 | L523-E620 PolarHBondContact O-N 3.13Å; D525-E620 PolarHBondContact OD1-N 3.08Å; W526-E620 HydrophobicContact CB-CB 4.11Å; W526-E620 HydrophobicContact CB-CG 3.84Å; E620-Q622 VanDerWaalsContact C-N 3.27Å; E620-Q622 PolarHBondContact O-N 3.13Å; E620-Y623 PolarHBondContact O-N 3.15Å; E620-Y668 WeakPolarHBondContact OE1-CD2 3.36Å; E620-R671 HydrophobicContact CG-CB 4.44Å; E620-R671 VanDerWaalsContact CG-NE 3.34Å; E620-R671 IonicContact OE1-CZ 3.54Å; E620-R671 IonicContact OE1-NE 3.49Å; E620-R671 PolarHBondContact OE1-NE 2.94Å; E620-R671 IonicContact OE1-NH2 3.54Å; E620-R671 PolarHBondContact OE1-NH2 2.59Å |
| 621 | S | 93.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -60.2 | -28.8 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | D525 R619 Y623 A624 | D525-S621 WeakPolarHBondContact OD1-CB 3.39Å; D525-S621 PolarHBondContact OD1-N 3.01Å; D525-S621 PolarHBondContact OD1-OG 2.8Å; D525-S621 WeakPolarHBondContact OD2-CB 3.39Å; D525-S621 PolarHBondContact OD2-OG 2.69Å; R619-S621 PolarHBondContact O-N 3.04Å; S621-Y623 PolarHBondContact O-N 3.48Å; S621-A624 PolarHBondContact O-N 3.04Å |
| 622 | Q | 94.1 | Very high | 94.5 | Very high | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -66.1 | -26.4 | 179.2 | -72.8 | 170.1 | -40.7 | 0 | 0 | 112.4 | R619 E620 | R619-Q622 HydrophobicContact CB-CG 3.98Å; R619-Q622 VanDerWaalsContact O-CB 3.32Å; R619-Q622 WeakPolarHBondContact O-CB 3.41Å; R619-Q622 PolarHBondContact O-N 3.15Å; E620-Q622 VanDerWaalsContact C-N 3.27Å; E620-Q622 PolarHBondContact O-N 3.13Å |
| 623 | Y | 95.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -104.7 | 2.7 | -177 | -56.2 | -77 | 0 | 0 | 0 | 112.9 | Y522 E618 R619 E620 S621 A627 A675 A678 | Y522-Y623 HydrophobicContact CD2-CE2 4.28Å; Y522-Y623 AromaticContact CE2-CD2 3.54Å; Y522-Y623 HydrophobicContact CE2-CD2 3.54Å; Y522-Y623 AromaticContact CE2-CE2 3.53Å; Y522-Y623 HydrophobicContact CE2-CE2 3.53Å; Y522-Y623 AromaticContact CZ-CD2 3.95Å; Y522-Y623 WeakPolarHBondContact OH-CD2 3.21Å; E618-Y623 HydrophobicContact CB-CE2 4.33Å; E618-Y623 PolarHBondContact OE1-OH 3.32Å; E618-Y623 PolarHBondContact OE2-OH 2.91Å; R619-Y623 WeakPolarHBondContact O-CD2 3.32Å; E620-Y623 PolarHBondContact O-N 3.15Å; S621-Y623 PolarHBondContact O-N 3.48Å; Y623-A627 WeakPolarHBondContact O-CB 3.43Å; Y623-A627 PolarHBondContact O-N 2.83Å; Y623-A675 HydrophobicContact CD1-CB 4.11Å; Y623-A675 HydrophobicContact CD2-CB 3.89Å; Y623-A675 HydrophobicContact CE1-CB 4.13Å; Y623-A675 HydrophobicContact CE2-CB 3.88Å; Y623-A675 HydrophobicContact CG-CB 3.97Å; Y623-A678 HydrophobicContact CD1-CB 4.21Å; Y623-A678 HydrophobicContact CE1-CB 3.59Å |
| 624 | A | 92.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W526 S621 K628 | W526-A624 HydrophobicContact CZ2-CB 4.12Å; S621-A624 PolarHBondContact O-N 3.04Å; A624-K628 PolarHBondContact O-N 3.39Å |
| 625 | E | 91.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -74.8 | -41 | 178.3 | -67.5 | -53.6 | 125.4 | 0 | 0 | 112.2 | A627 K628 E629 | E625-A627 VanDerWaalsContact C-N 3.28Å; E625-A627 PolarHBondContact O-N 3.15Å; E625-K628 WeakPolarHBondContact O-CB 3.49Å; E625-K628 PolarHBondContact O-N 3.05Å; E625-K628 VanDerWaalsContact O-N 3.16Å; E625-K628 IonicContact OE1-NZ 3.41Å; E625-K628 PolarHBondContact OE1-NZ 2.97Å; E625-K628 IonicContact OE2-NZ 3.72Å; E625-E629 PolarHBondContact O-N 3.36Å; E625-E629 VanDerWaalsContact O-N 3.07Å |
| 626 | E | 94.1 | Very high | 94.7 | Very high | 54 Ų | 54 | 49 Ų | 49 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.2 | -174 | 168.6 | -168.5 | 0 | 0 | 111.3 | K628 E629 C630 A674 R681 | E626-K628 PolarHBondContact O-N 3.46Å; E626-E629 PolarHBondContact O-N 3.04Å; E626-C630 WeakPolarHBondContact O-CB 3.22Å; E626-C630 PolarHBondContact O-N 3.25Å; E626-C630 PolarHBondContact O-SG 2.72Å; E626-A674 HydrophobicContact CB-CB 4.35Å; E626-A674 HydrophobicContact CG-CB 4.2Å; E626-R681 IonicContact OE1-CZ 2.94Å; E626-R681 IonicContact OE1-NH1 2.68Å; E626-R681 PolarHBondContact OE1-NH1 3.37Å; E626-R681 IonicContact OE1-NH2 3.84Å |
| 627 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y623 E625 E629 C630 V631 T666 A670 R671 A674 | Y623-A627 WeakPolarHBondContact O-CB 3.43Å; Y623-A627 PolarHBondContact O-N 2.83Å; E625-A627 VanDerWaalsContact C-N 3.28Å; E625-A627 PolarHBondContact O-N 3.15Å; A627-E629 VanDerWaalsContact C-N 3.32Å; A627-E629 PolarHBondContact O-N 3.19Å; A627-C630 PolarHBondContact O-N 3.43Å; A627-V631 VanDerWaalsContact O-CG2 3.31Å; A627-V631 WeakPolarHBondContact O-CG2 3.43Å; A627-V631 PolarHBondContact O-N 2.87Å; A627-T666 HydrophobicContact CB-CG2 4.13Å; A627-A670 HydrophobicContact CB-CB 4.25Å; A627-A670 WeakPolarHBondContact CB-O 3.34Å; A627-R671 HydrophobicContact CB-CG 3.95Å; A627-A674 HydrophobicContact CB-CB 4.06Å |
| 628 | K | 93.9 | Very high | 94.5 | Very high | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.7 | -71.8 | 172.9 | -175 | 166.3 | 0 | 111.1 | A624 E625 E626 V631 K632 T666 | A624-K628 PolarHBondContact O-N 3.39Å; E625-K628 WeakPolarHBondContact O-CB 3.49Å; E625-K628 PolarHBondContact O-N 3.05Å; E625-K628 VanDerWaalsContact O-N 3.16Å; E625-K628 IonicContact OE1-NZ 3.41Å; E625-K628 PolarHBondContact OE1-NZ 2.97Å; E625-K628 IonicContact OE2-NZ 3.72Å; E626-K628 PolarHBondContact O-N 3.46Å; K628-V631 PolarHBondContact O-N 3.38Å; K628-K632 WeakPolarHBondContact O-CG 3.38Å; K628-K632 PolarHBondContact O-N 3.31Å; K628-T666 HydrophobicContact CG-CG2 3.74Å |
| 629 | E | 94.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 61 Ų | 61 | 54% | 0.542 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 179.5 | -169.2 | 55.4 | -150.5 | 0 | 0 | 112.1 | E625 E626 A627 V631 K632 C633 | E625-E629 PolarHBondContact O-N 3.36Å; E625-E629 VanDerWaalsContact O-N 3.07Å; E626-E629 PolarHBondContact O-N 3.04Å; A627-E629 VanDerWaalsContact C-N 3.32Å; A627-E629 PolarHBondContact O-N 3.19Å; E629-V631 PolarHBondContact O-N 3.29Å; E629-K632 PolarHBondContact O-N 3.09Å; E629-C633 WeakPolarHBondContact O-CB 3.14Å; E629-C633 PolarHBondContact O-N 3.45Å |
| 630 | C | 95.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -47 | 173.4 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | E626 A627 K632 C633 W634 | E626-C630 WeakPolarHBondContact O-CB 3.22Å; E626-C630 PolarHBondContact O-N 3.25Å; E626-C630 PolarHBondContact O-SG 2.72Å; A627-C630 PolarHBondContact O-N 3.43Å; C630-K632 PolarHBondContact O-N 3.36Å; C630-C633 PolarHBondContact O-N 3.34Å; C630-W634 HydrophobicContact CB-CD2 4.3Å; C630-W634 HydrophobicContact CB-CE3 4.02Å; C630-W634 HydrophobicContact CB-CH2 3.6Å; C630-W634 HydrophobicContact CB-CZ2 3.88Å; C630-W634 HydrophobicContact CB-CZ3 3.68Å; C630-W634 WeakPolarHBondContact O-CB 3.49Å; C630-W634 VanDerWaalsContact O-CG 3.23Å; C630-W634 PolarHBondContact O-N 3.26Å |
| 631 | V | 95.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 179.3 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | A627 K628 E629 C633 W634 L635 L640 V648 V659 A670 | A627-V631 VanDerWaalsContact O-CG2 3.31Å; A627-V631 WeakPolarHBondContact O-CG2 3.43Å; A627-V631 PolarHBondContact O-N 2.87Å; K628-V631 PolarHBondContact O-N 3.38Å; E629-V631 PolarHBondContact O-N 3.29Å; V631-C633 VanDerWaalsContact C-N 3.33Å; V631-C633 PolarHBondContact O-N 2.9Å; V631-W634 HydrophobicContact CG2-CE3 4.42Å; V631-W634 PolarHBondContact O-N 3.49Å; V631-L635 HydrophobicContact CG1-CD1 4.1Å; V631-L635 HydrophobicContact CG1-CG 4.48Å; V631-L635 WeakPolarHBondContact O-CB 3.23Å; V631-L635 PolarHBondContact O-N 3.06Å; V631-L640 HydrophobicContact CB-CD1 4.47Å; V631-L640 HydrophobicContact CG1-CD1 4.05Å; V631-L640 HydrophobicContact CG2-CD1 4.4Å; V631-V648 HydrophobicContact CG1-CG1 3.96Å; V631-V659 HydrophobicContact CG1-CG2 4.42Å; V631-V659 HydrophobicContact CG2-CG2 3.98Å; V631-A670 HydrophobicContact CG2-CB 4.32Å |
| 632 | K | 95 | Very high | 94.6 | Very high | 136 Ų | 136 | 64.3 Ų | 64.3 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.4 | -45.9 | 174.6 | -73.1 | 174.7 | -176.2 | 175.1 | 0 | 111.7 | K628 E629 C630 L635 A636 | K628-K632 WeakPolarHBondContact O-CG 3.38Å; K628-K632 PolarHBondContact O-N 3.31Å; E629-K632 PolarHBondContact O-N 3.09Å; C630-K632 PolarHBondContact O-N 3.36Å; K632-L635 PolarHBondContact O-N 2.7Å; K632-A636 WeakPolarHBondContact O-CB 3.44Å; K632-A636 PolarHBondContact O-N 3.18Å |
| 633 | C | 95.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 62 Ų | 62 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | E629 C630 V631 A636 R637 | E629-C633 WeakPolarHBondContact O-CB 3.14Å; E629-C633 PolarHBondContact O-N 3.45Å; C630-C633 PolarHBondContact O-N 3.34Å; V631-C633 VanDerWaalsContact C-N 3.33Å; V631-C633 PolarHBondContact O-N 2.9Å; C633-A636 PolarHBondContact O-N 3.12Å; C633-R637 WeakPolarHBondContact O-CG 3.15Å; C633-R637 PolarHBondContact O-N 3.42Å; C633-R637 VanDerWaalsContact SG-CZ 3.53Å |
| 634 | W | 97 | Very high | 94.3 | Very high | 10 Ų | 10 | 70.6 Ų | 70.6 | 4% | 0.038 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.2 | -35.9 | 178.6 | -63.9 | -37.7 | 0 | 0 | 0 | 113.2 | C630 V631 R637 N638 A639 L640 L673 I677 V710 | C630-W634 HydrophobicContact CB-CD2 4.3Å; C630-W634 HydrophobicContact CB-CE3 4.02Å; C630-W634 HydrophobicContact CB-CH2 3.6Å; C630-W634 HydrophobicContact CB-CZ2 3.88Å; C630-W634 HydrophobicContact CB-CZ3 3.68Å; C630-W634 WeakPolarHBondContact O-CB 3.49Å; C630-W634 VanDerWaalsContact O-CG 3.23Å; C630-W634 PolarHBondContact O-N 3.26Å; V631-W634 HydrophobicContact CG2-CE3 4.42Å; V631-W634 PolarHBondContact O-N 3.49Å; W634-R637 PolarHBondContact O-N 3.48Å; W634-N638 PolarHBondContact O-N 3.25Å; W634-A639 HydrophobicContact CB-CB 4.17Å; W634-A639 PolarHBondContact O-N 2.87Å; W634-L640 HydrophobicContact CB-CD1 3.72Å; W634-L640 HydrophobicContact CB-CG 3.75Å; W634-L640 HydrophobicContact CE3-CD1 3.95Å; W634-L640 PolarHBondContact O-N 3.48Å; W634-L673 HydrophobicContact CH2-CB 3.96Å; W634-L673 HydrophobicContact CH2-CD1 4.25Å; W634-L673 HydrophobicContact CZ3-CB 4.38Å; W634-L673 HydrophobicContact CZ3-CD1 4Å; W634-I677 HydrophobicContact CH2-CD1 3.89Å; W634-I677 HydrophobicContact CZ2-CD1 3.55Å; W634-V710 HydrophobicContact CD2-CB 4.09Å; W634-V710 HydrophobicContact CD2-CG1 3.97Å; W634-V710 HydrophobicContact CD2-CG2 4.39Å; W634-V710 HydrophobicContact CE3-CG1 4.39Å; W634-V710 HydrophobicContact CG-CB 4.15Å; W634-V710 HydrophobicContact CG-CG1 4.05Å; W634-V710 HydrophobicContact CH2-CG2 4.38Å; W634-V710 HydrophobicContact CZ2-CB 4.33Å; W634-V710 HydrophobicContact CZ2-CG2 3.77Å |
| 635 | L | 94.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.188 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 169.2 | -85.4 | 171.9 | 0 | 0 | 0 | 111.3 | V631 K632 R637 N638 L640 Y642 V648 | V631-L635 HydrophobicContact CG1-CD1 4.1Å; V631-L635 HydrophobicContact CG1-CG 4.48Å; V631-L635 WeakPolarHBondContact O-CB 3.23Å; V631-L635 PolarHBondContact O-N 3.06Å; K632-L635 PolarHBondContact O-N 2.7Å; L635-R637 PolarHBondContact O-N 2.78Å; L635-R637 VanDerWaalsContact O-N 3.15Å; L635-N638 PolarHBondContact O-N 3.32Å; L635-L640 HydrophobicContact CD2-CB 4.05Å; L635-L640 HydrophobicContact CG-CB 4.21Å; L635-Y642 HydrophobicContact CD2-CD2 4.32Å; L635-Y642 HydrophobicContact CD2-CE2 3.85Å; L635-V648 HydrophobicContact CD1-CG1 3.87Å; L635-V648 HydrophobicContact CD1-CG2 4.09Å; L635-V648 HydrophobicContact CD2-CG1 3.73Å; L635-V648 HydrophobicContact CG-CG1 3.82Å |
| 636 | A | 94.5 | Very high | 94.1 | Very high | 85 Ų | 85 | 72.6 Ų | 72.6 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.7 | -24 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K632 C633 | K632-A636 WeakPolarHBondContact O-CB 3.44Å; K632-A636 PolarHBondContact O-N 3.18Å; C633-A636 PolarHBondContact O-N 3.12Å |
| 637 | R | 94.4 | Very high | 94.2 | Very high | 186 Ų | 186 | 72.1 Ų | 72.1 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8.2 | 177 | -65.9 | 175.5 | -176.2 | -179.4 | 2.3 | 113.6 | C633 W634 L635 A639 | C633-R637 WeakPolarHBondContact O-CG 3.15Å; C633-R637 PolarHBondContact O-N 3.42Å; C633-R637 VanDerWaalsContact SG-CZ 3.53Å; W634-R637 PolarHBondContact O-N 3.48Å; L635-R637 PolarHBondContact O-N 2.78Å; L635-R637 VanDerWaalsContact O-N 3.15Å; R637-A639 PolarHBondContact O-N 2.9Å; R637-A639 VanDerWaalsContact O-N 3.17Å |
| 638 | N | 92.6 | Very high | 94.2 | Very high | 148 Ų | 148 | 72.5 Ų | 72.5 | 79% | 0.791 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 21.9 | -175.3 | -57.2 | -48.3 | 0 | 0 | 0 | 114.6 | W634 L635 | W634-N638 PolarHBondContact O-N 3.25Å; L635-N638 PolarHBondContact O-N 3.32Å |
| 639 | A | 94.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 22% | 0.223 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -80.3 | -23.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | W634 R637 F650 V710 | W634-A639 HydrophobicContact CB-CB 4.17Å; W634-A639 PolarHBondContact O-N 2.87Å; R637-A639 PolarHBondContact O-N 2.9Å; R637-A639 VanDerWaalsContact O-N 3.17Å; A639-F650 WeakPolarHBondContact O-CD2 3.42Å; A639-V710 HydrophobicContact CB-CG1 4.27Å |
| 640 | L | 96.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -117.3 | 158.3 | 170.2 | -61.9 | 176.3 | 0 | 0 | 0 | 110.2 | V631 W634 L635 V648 G649 F650 V659 V710 | V631-L640 HydrophobicContact CB-CD1 4.47Å; V631-L640 HydrophobicContact CG1-CD1 4.05Å; V631-L640 HydrophobicContact CG2-CD1 4.4Å; W634-L640 HydrophobicContact CB-CD1 3.72Å; W634-L640 HydrophobicContact CB-CG 3.75Å; W634-L640 HydrophobicContact CE3-CD1 3.95Å; W634-L640 PolarHBondContact O-N 3.48Å; L635-L640 HydrophobicContact CD2-CB 4.05Å; L635-L640 HydrophobicContact CG-CB 4.21Å; L640-V648 HydrophobicContact CB-CG1 4Å; L640-V648 HydrophobicContact CD1-CG1 4.04Å; L640-G649 WeakPolarHBondContact CA-O 3.46Å; L640-F650 HydrophobicContact CD2-CB 3.83Å; L640-V659 HydrophobicContact CD1-CG2 3.64Å; L640-V659 HydrophobicContact CD2-CG2 4.31Å; L640-V710 HydrophobicContact CD2-CG1 4.38Å |
| 641 | S | 94.6 | Very high | 94.3 | Very high | 42 Ų | 42 | 72.1 Ų | 72.1 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.9 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | G649 | S641-G649 PolarHBondContact N-O 3.04Å; S641-G649 PolarHBondContact O-N 3.28Å |
| 642 | Y | 95 | Very high | 94.1 | Very high | 155 Ų | 155 | 73.9 Ų | 73.9 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 144 | 169.3 | -65.2 | -91.2 | 0 | 0 | 0 | 110.7 | L635 L647 V648 | L635-Y642 HydrophobicContact CD2-CD2 4.32Å; L635-Y642 HydrophobicContact CD2-CE2 3.85Å; Y642-L647 CarbonylContact C-O 3.59Å; Y642-L647 WeakPolarHBondContact CA-O 3.33Å; Y642-V648 HydrophobicContact CD1-CG2 3.72Å; Y642-V648 HydrophobicContact CE1-CG2 3.39Å |
| 643 | D | 93.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | trans | -90.2 | -174.9 | 164.4 | 74.4 | 2.3 | 0 | 0 | 0 | 112.2 | D645 G646 L647 F656 | D643-D645 VanDerWaalsContact C-N 3.25Å; D643-D645 PolarHBondContact O-N 2.83Å; D643-D645 WeakPolarHBondContact OD1-CA 3.47Å; D643-D645 PolarHBondContact OD1-N 3.42Å; D643-G646 PolarHBondContact O-N 3.24Å; D643-G646 PolarHBondContact OD1-N 2.79Å; D643-L647 PolarHBondContact N-O 2.82Å; D643-L647 WeakPolarHBondContact OD1-CB 3.28Å; D643-L647 PolarHBondContact OD1-N 2.95Å; D643-L647 WeakPolarHBondContact OD2-CB 3.18Å; D643-L647 WeakPolarHBondContact OD2-CD1 3.44Å; D643-F656 HydrophobicContact CB-CD1 4.09Å; D643-F656 HydrophobicContact CB-CD2 4.3Å; D643-F656 HydrophobicContact CB-CE1 3.72Å; D643-F656 HydrophobicContact CB-CE2 3.94Å; D643-F656 HydrophobicContact CB-CG 4.36Å; D643-F656 HydrophobicContact CB-CZ 3.62Å; D643-F656 WeakPolarHBondContact OD2-CE1 2.99Å | ||
| 644 | E | 90.1 | Very high | 92.9 | Very high | 202 Ų | 202 | 73.3 Ų | 73.3 | 94% | 0.944 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.3 | -179.3 | -62.8 | 177.3 | -169.2 | 0 | 0 | 113 | ||
| 645 | D | 89.7 | Confident | 92.7 | Very high | 131 Ų | 131 | 77.8 Ų | 77.8 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1 | 179.4 | -67.9 | -38.9 | 0 | 0 | 0 | 112.6 | D643 L647 | D643-D645 VanDerWaalsContact C-N 3.25Å; D643-D645 PolarHBondContact O-N 2.83Å; D643-D645 WeakPolarHBondContact OD1-CA 3.47Å; D643-D645 PolarHBondContact OD1-N 3.42Å; D645-L647 VanDerWaalsContact C-N 3.35Å; D645-L647 HydrophobicContact CB-CG 4.48Å |
| 646 | G | 90.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 78.8 Ų | 78.8 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 78.8 | 11.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D643 S662 | D643-G646 PolarHBondContact O-N 3.24Å; D643-G646 PolarHBondContact OD1-N 2.79Å; G646-S662 WeakPolarHBondContact O-CA 3.23Å |
| 647 | L | 94.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 75 Ų | 75 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | trans | -66.4 | 147.6 | 168.7 | -56.2 | 178.3 | 0 | 0 | 0 | 109.5 | Y642 D643 D645 F656 P658 K661 | Y642-L647 CarbonylContact C-O 3.59Å; Y642-L647 WeakPolarHBondContact CA-O 3.33Å; D643-L647 PolarHBondContact N-O 2.82Å; D643-L647 WeakPolarHBondContact OD1-CB 3.28Å; D643-L647 PolarHBondContact OD1-N 2.95Å; D643-L647 WeakPolarHBondContact OD2-CB 3.18Å; D643-L647 WeakPolarHBondContact OD2-CD1 3.44Å; D645-L647 VanDerWaalsContact C-N 3.35Å; D645-L647 HydrophobicContact CB-CG 4.48Å; L647-F656 HydrophobicContact CB-CE1 3.93Å; L647-F656 HydrophobicContact CB-CZ 4.26Å; L647-F656 WeakPolarHBondContact O-CZ 3.28Å; L647-P658 HydrophobicContact CD1-CB 4.43Å; L647-K661 HydrophobicContact CD2-CB 4.45Å | ||
| 648 | V | 96.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.8 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | V631 L635 L640 Y642 V659 C660 | V631-V648 HydrophobicContact CG1-CG1 3.96Å; L635-V648 HydrophobicContact CD1-CG1 3.87Å; L635-V648 HydrophobicContact CD1-CG2 4.09Å; L635-V648 HydrophobicContact CD2-CG1 3.73Å; L635-V648 HydrophobicContact CG-CG1 3.82Å; L640-V648 HydrophobicContact CB-CG1 4Å; L640-V648 HydrophobicContact CD1-CG1 4.04Å; Y642-V648 HydrophobicContact CD1-CG2 3.72Å; Y642-V648 HydrophobicContact CE1-CG2 3.39Å; V648-V659 HydrophobicContact CG1-CG2 4.08Å; V648-V659 WeakPolarHBondContact O-CG2 3.3Å; V648-V659 PolarHBondContact O-N 3.1Å; V648-C660 HydrophobicContact CB-CB 4.08Å; V648-C660 PolarHBondContact N-O 2.93Å; V648-C660 VanDerWaalsContact N-O 3.14Å; V648-C660 PolarHBondContact O-N 2.75Å |
| 649 | G | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L640 S641 F656 L657 | L640-G649 WeakPolarHBondContact CA-O 3.46Å; S641-G649 PolarHBondContact N-O 3.04Å; S641-G649 PolarHBondContact O-N 3.28Å; G649-F656 VanDerWaalsContact CA-CZ 3.43Å; G649-F656 VanDerWaalsContact N-CZ 3.26Å; G649-L657 CarbonylContact C-O 3.51Å; G649-L657 WeakPolarHBondContact CA-O 3.43Å |
| 650 | F | 96.6 | Very high | 93.1 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.7 | 175.8 | -178 | -110.8 | 0 | 0 | 0 | 110 | A639 L640 T652 L657 M705 I706 | A639-F650 WeakPolarHBondContact O-CD2 3.42Å; L640-F650 HydrophobicContact CD2-CB 3.83Å; F650-T652 HydrophobicContact CD1-CG2 3.74Å; F650-T652 VanDerWaalsContact CE1-CB 3.48Å; F650-T652 HydrophobicContact CE1-CG2 3.62Å; F650-L657 HydrophobicContact CB-CB 4.44Å; F650-L657 HydrophobicContact CD1-CD1 4.35Å; F650-L657 PolarHBondContact N-O 3.48Å; F650-L657 PolarHBondContact O-N 3.32Å; F650-M705 HydrophobicContact CE1-CG 4.21Å; F650-I706 HydrophobicContact CB-CG1 3.85Å; F650-I706 HydrophobicContact CB-CG2 4.31Å; F650-I706 HydrophobicContact CD1-CG1 4.21Å; F650-I706 HydrophobicContact CG-CG1 4.26Å |
| 651 | K | 93.7 | Very high | 92.9 | Very high | 151 Ų | 151 | 64.7 Ų | 64.7 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125 | -179.1 | -167.9 | 173.6 | -176 | 172.2 | 0 | 110.6 | R655 | K651-R655 WeakPolarHBondContact CA-O 3.39Å |
| 652 | T | 90.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 27% | 0.27 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 130.6 | -174.6 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | F650 G654 R655 L657 M705 | F650-T652 HydrophobicContact CD1-CG2 3.74Å; F650-T652 VanDerWaalsContact CE1-CB 3.48Å; F650-T652 HydrophobicContact CE1-CG2 3.62Å; T652-G654 PolarHBondContact O-N 2.81Å; T652-R655 PolarHBondContact N-O 3.49Å; T652-R655 WeakPolarHBondContact O-CA 3.31Å; T652-R655 WeakPolarHBondContact O-CB 3.22Å; T652-R655 PolarHBondContact O-N 3.45Å; T652-L657 HydrophobicContact CG2-CD1 4.24Å; T652-M705 HydrophobicContact CG2-CG 3.93Å; T652-M705 HydrophobicContact CG2-SD 3.27Å; T652-M705 WeakPolarHBondContact CG2-SD 3.29Å |
| 653 | G | 82.9 | Confident | 92 | Very high | 86 Ų | 86 | 65 Ų | 65 | 89% | 0.887 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 31.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R655 | G653-R655 VanDerWaalsContact C-N 3.29Å; G653-R655 PolarHBondContact O-N 3.49Å |
| 654 | G | 83.5 | Confident | 91.5 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 81% | 0.814 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -2.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | T652 | T652-G654 PolarHBondContact O-N 2.81Š|
| 655 | R | 92.3 | Very high | 91.3 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 147.8 | 172 | -64 | 179.1 | 61.4 | -165.1 | -9.8 | 110.8 | K651 T652 G653 Q698 D702 | K651-R655 WeakPolarHBondContact CA-O 3.39Å; T652-R655 PolarHBondContact N-O 3.49Å; T652-R655 WeakPolarHBondContact O-CA 3.31Å; T652-R655 WeakPolarHBondContact O-CB 3.22Å; T652-R655 PolarHBondContact O-N 3.45Å; G653-R655 VanDerWaalsContact C-N 3.29Å; G653-R655 PolarHBondContact O-N 3.49Å; R655-Q698 VanDerWaalsContact NH2-NE2 3.12Å; R655-D702 IonicContact CZ-OD1 3.22Å; R655-D702 IonicContact NH1-OD1 2.67Å; R655-D702 IonicContact NH2-OD1 2.8Å; R655-D702 PolarHBondContact NH2-OD1 2.8Å; R655-D702 IonicContact NH2-OD2 3.1Å |
| 656 | F | 95.1 | Very high | 91.3 | Very high | 57 Ų | 57 | 51 Ų | 51 | 25% | 0.25 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.1 | 169.7 | -177.9 | -102.5 | 0 | 0 | 0 | 109 | D643 L647 G649 P658 | D643-F656 HydrophobicContact CB-CD1 4.09Å; D643-F656 HydrophobicContact CB-CD2 4.3Å; D643-F656 HydrophobicContact CB-CE1 3.72Å; D643-F656 HydrophobicContact CB-CE2 3.94Å; D643-F656 HydrophobicContact CB-CG 4.36Å; D643-F656 HydrophobicContact CB-CZ 3.62Å; D643-F656 WeakPolarHBondContact OD2-CE1 2.99Å; L647-F656 HydrophobicContact CB-CE1 3.93Å; L647-F656 HydrophobicContact CB-CZ 4.26Å; L647-F656 WeakPolarHBondContact O-CZ 3.28Å; G649-F656 VanDerWaalsContact CA-CZ 3.43Å; G649-F656 VanDerWaalsContact N-CZ 3.26Å; F656-P658 HydrophobicContact CD1-CB 4.46Å; F656-P658 HydrophobicContact CE1-CB 4.01Å; F656-P658 WeakPolarHBondContact O-CD 3.43Å |
| 657 | L | 96.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 99.4 | -178 | -54.6 | -177.9 | 0 | 0 | 0 | 108.8 | G649 F650 T652 D702 M705 I706 | G649-L657 CarbonylContact C-O 3.51Å; G649-L657 WeakPolarHBondContact CA-O 3.43Å; F650-L657 HydrophobicContact CB-CB 4.44Å; F650-L657 HydrophobicContact CD1-CD1 4.35Å; F650-L657 PolarHBondContact N-O 3.48Å; F650-L657 PolarHBondContact O-N 3.32Å; T652-L657 HydrophobicContact CG2-CD1 4.24Å; L657-D702 HydrophobicContact CD1-CB 4.06Å; L657-D702 HydrophobicContact CD2-CB 4.37Å; L657-M705 HydrophobicContact CD1-CB 4.21Å; L657-M705 HydrophobicContact CD1-CG 4.25Å; L657-M705 HydrophobicContact CD1-SD 3.95Å; L657-I706 HydrophobicContact CB-CD1 4Å; L657-I706 HydrophobicContact CB-CG1 4.19Å; L657-I706 HydrophobicContact CD1-CD1 4.35Å; L657-I706 HydrophobicContact CD1-CG1 3.91Å |
| 658 | P | 96.5 | Very high | 91.3 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 31% | 0.312 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 137.1 | -173.2 | 29.1 | -35.3 | 0 | 0 | 0 | 111.6 | L647 F656 L667 I669 | L647-P658 HydrophobicContact CD1-CB 4.43Å; F656-P658 HydrophobicContact CD1-CB 4.46Å; F656-P658 HydrophobicContact CE1-CB 4.01Å; F656-P658 WeakPolarHBondContact O-CD 3.43Å; P658-L667 HydrophobicContact CB-CD1 3.78Å; P658-L667 HydrophobicContact CG-CD1 4.16Å; P658-I669 WeakPolarHBondContact O-CG2 3.35Å |
| 659 | V | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -26.4 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 113 | V631 L640 V648 L667 I669 A670 L673 I706 | V631-V659 HydrophobicContact CG1-CG2 4.42Å; V631-V659 HydrophobicContact CG2-CG2 3.98Å; L640-V659 HydrophobicContact CD1-CG2 3.64Å; L640-V659 HydrophobicContact CD2-CG2 4.31Å; V648-V659 HydrophobicContact CG1-CG2 4.08Å; V648-V659 WeakPolarHBondContact O-CG2 3.3Å; V648-V659 PolarHBondContact O-N 3.1Å; V659-L667 WeakPolarHBondContact O-CB 3.2Å; V659-L667 PolarHBondContact O-N 2.71Å; V659-I669 HydrophobicContact CB-CG2 4.44Å; V659-I669 HydrophobicContact CG1-CG2 4.15Å; V659-A670 HydrophobicContact CB-CB 4.25Å; V659-A670 WeakPolarHBondContact O-CB 3.42Å; V659-L673 HydrophobicContact CG1-CD1 4.28Å; V659-I706 HydrophobicContact CG1-CD1 3.92Å |
| 660 | C | 94.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.4 | 170.6 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | V648 S665 | V648-C660 HydrophobicContact CB-CB 4.08Å; V648-C660 PolarHBondContact N-O 2.93Å; V648-C660 VanDerWaalsContact N-O 3.14Å; V648-C660 PolarHBondContact O-N 2.75Å; C660-S665 CarbonylContact C-O 3.59Å; C660-S665 VanDerWaalsContact CA-O 3.29Å; C660-S665 WeakPolarHBondContact CA-O 3.38Å; C660-S665 WeakPolarHBondContact CB-O 3.47Å |
| 661 | K | 90.8 | Very high | 91.3 | Very high | 100 Ų | 100 | 53.9 Ų | 53.9 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | trans | -76.3 | 167.9 | 168.8 | -60.9 | -172.1 | -164 | 161.9 | 0 | 111.5 | L647 D663 G664 S665 L667 | L647-K661 HydrophobicContact CD2-CB 4.45Å; K661-D663 WeakPolarHBondContact CB-OD1 3.33Å; K661-D663 PolarHBondContact O-N 2.76Å; K661-G664 PolarHBondContact O-N 3.36Å; K661-S665 WeakPolarHBondContact CD-OG 3.28Å; K661-S665 PolarHBondContact N-O 3.1Å; K661-L667 HydrophobicContact CD-CD2 4.41Å; K661-L667 HydrophobicContact CG-CD2 3.71Å; K661-L667 HydrophobicContact CG-CG 4.39Å | ||
| 662 | S | 87.1 | Confident | 91.5 | Very high | 87 Ų | 87 | 47 Ų | 47 | 61% | 0.608 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.5 | 177.7 | 51 | 0 | 0 | 0 | 0 | 114 | G646 G664 | G646-S662 WeakPolarHBondContact O-CA 3.23Å; S662-G664 PolarHBondContact O-N 2.96Å |
| 663 | D | 83.4 | Confident | 91.8 | Very high | 117 Ų | 117 | 45 Ų | 45 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.9 | 172.1 | 66.5 | 7 | 0 | 0 | 0 | 113.7 | K661 S665 | K661-D663 WeakPolarHBondContact CB-OD1 3.33Å; K661-D663 PolarHBondContact O-N 2.76Å; D663-S665 VanDerWaalsContact C-N 3.31Å; D663-S665 WeakPolarHBondContact OD1-CB 3.29Å; D663-S665 PolarHBondContact OD1-N 2.98Å; D663-S665 PolarHBondContact OD1-OG 3.35Å |
| 664 | G | 83.6 | Confident | 92.5 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 82.9 | -1.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K661 S662 | K661-G664 PolarHBondContact O-N 3.36Å; S662-G664 PolarHBondContact O-N 2.96Å |
| 665 | S | 85.2 | Confident | 93.2 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 137.6 | 175.2 | 65 | 0 | 0 | 0 | 0 | 111.6 | C660 K661 D663 | C660-S665 CarbonylContact C-O 3.59Å; C660-S665 VanDerWaalsContact CA-O 3.29Å; C660-S665 WeakPolarHBondContact CA-O 3.38Å; C660-S665 WeakPolarHBondContact CB-O 3.47Å; K661-S665 WeakPolarHBondContact CD-OG 3.28Å; K661-S665 PolarHBondContact N-O 3.1Å; D663-S665 VanDerWaalsContact C-N 3.31Å; D663-S665 WeakPolarHBondContact OD1-CB 3.29Å; D663-S665 PolarHBondContact OD1-N 2.98Å; D663-S665 PolarHBondContact OD1-OG 3.35Å |
| 666 | T | 91.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 141.7 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | A627 K628 A670 R671 | A627-T666 HydrophobicContact CB-CG2 4.13Å; K628-T666 HydrophobicContact CG-CG2 3.74Å; T666-A670 HydrophobicContact CG2-CB 4.36Å; T666-R671 VanDerWaalsContact C-NH1 3.34Å; T666-R671 PolarHBondContact O-NH1 3.45Å; T666-R671 PolarHBondContact OG1-NH1 2.63Å |
| 667 | L | 93.1 | Very high | 93.6 | Very high | 45 Ų | 45 | 29.6 Ų | 29.6 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 166.3 | 169.8 | -63.4 | 175.4 | 0 | 0 | 0 | 110.5 | P658 V659 K661 I669 A670 R671 | P658-L667 HydrophobicContact CB-CD1 3.78Å; P658-L667 HydrophobicContact CG-CD1 4.16Å; V659-L667 WeakPolarHBondContact O-CB 3.2Å; V659-L667 PolarHBondContact O-N 2.71Å; K661-L667 HydrophobicContact CD-CD2 4.41Å; K661-L667 HydrophobicContact CG-CD2 3.71Å; K661-L667 HydrophobicContact CG-CG 4.39Å; L667-I669 VanDerWaalsContact C-N 3.27Å; L667-I669 HydrophobicContact CB-CG2 4.37Å; L667-I669 PolarHBondContact O-N 3.32Å; L667-A670 WeakPolarHBondContact O-CB 3.2Å; L667-A670 PolarHBondContact O-N 2.82Å; L667-R671 PolarHBondContact O-NH1 3.15Å |
| 668 | Y | 92 | Very high | 93.6 | Very high | 83 Ų | 83 | 30 Ų | 30 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -53.7 | -43.9 | -178.9 | -176.1 | -105.2 | 0 | 0 | 0 | 112.3 | E620 A670 R671 D672 H699 | E620-Y668 WeakPolarHBondContact OE1-CD2 3.36Å; Y668-A670 VanDerWaalsContact C-N 3.26Å; Y668-A670 PolarHBondContact O-N 3.5Å; Y668-R671 PolarHBondContact O-N 3.09Å; Y668-D672 WeakPolarHBondContact CE1-OD2 3.38Å; Y668-D672 PolarHBondContact O-N 2.74Å; Y668-H699 AromaticContact CD1-CE1 3.52Å; Y668-H699 AromaticContact CD1-NE2 3.87Å; Y668-H699 AromaticContact CE1-CE1 3.89Å; Y668-H699 AromaticContact CE1-NE2 3.73Å |
| 669 | I | 96.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -32.7 | 178.4 | -162.7 | 163.4 | 0 | 0 | 0 | 113.5 | P658 V659 L667 R671 D672 L673 D702 L703 I706 | P658-I669 WeakPolarHBondContact O-CG2 3.35Å; V659-I669 HydrophobicContact CB-CG2 4.44Å; V659-I669 HydrophobicContact CG1-CG2 4.15Å; L667-I669 VanDerWaalsContact C-N 3.27Å; L667-I669 HydrophobicContact CB-CG2 4.37Å; L667-I669 PolarHBondContact O-N 3.32Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.38Å; I669-D672 PolarHBondContact O-N 3.38Å; I669-L673 WeakPolarHBondContact O-CB 3.45Å; I669-L673 WeakPolarHBondContact O-CG 3.18Å; I669-L673 PolarHBondContact O-N 3.31Å; I669-D702 HydrophobicContact CD1-CB 3.83Å; I669-L703 HydrophobicContact CG1-CD1 4.05Å; I669-I706 HydrophobicContact CD1-CD1 3.55Å; I669-I706 HydrophobicContact CG1-CD1 4.11Å |
| 670 | A | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -34.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A627 V631 V659 T666 L667 Y668 A674 | A627-A670 HydrophobicContact CB-CB 4.25Å; A627-A670 WeakPolarHBondContact CB-O 3.34Å; V631-A670 HydrophobicContact CG2-CB 4.32Å; V659-A670 HydrophobicContact CB-CB 4.25Å; V659-A670 WeakPolarHBondContact O-CB 3.42Å; T666-A670 HydrophobicContact CG2-CB 4.36Å; L667-A670 WeakPolarHBondContact O-CB 3.2Å; L667-A670 PolarHBondContact O-N 2.82Å; Y668-A670 VanDerWaalsContact C-N 3.26Å; Y668-A670 PolarHBondContact O-N 3.5Å; A670-A674 PolarHBondContact O-N 2.69Å; A670-A674 VanDerWaalsContact O-N 3.12Å |
| 671 | R | 95.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.8 | -37 | 176.2 | -67.9 | -179.8 | -68.4 | -85.3 | 5.8 | 111.5 | E620 A627 T666 L667 Y668 I669 L673 A674 A675 | E620-R671 HydrophobicContact CG-CB 4.44Å; E620-R671 VanDerWaalsContact CG-NE 3.34Å; E620-R671 IonicContact OE1-CZ 3.54Å; E620-R671 IonicContact OE1-NE 3.49Å; E620-R671 PolarHBondContact OE1-NE 2.94Å; E620-R671 IonicContact OE1-NH2 3.54Å; E620-R671 PolarHBondContact OE1-NH2 2.59Å; A627-R671 HydrophobicContact CB-CG 3.95Å; T666-R671 VanDerWaalsContact C-NH1 3.34Å; T666-R671 PolarHBondContact O-NH1 3.45Å; T666-R671 PolarHBondContact OG1-NH1 2.63Å; L667-R671 PolarHBondContact O-NH1 3.15Å; Y668-R671 PolarHBondContact O-N 3.09Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.38Å; R671-L673 VanDerWaalsContact C-N 3.34Å; R671-L673 PolarHBondContact O-N 3.04Å; R671-A674 PolarHBondContact O-N 3.49Å; R671-A675 WeakPolarHBondContact O-CB 2.99Å; R671-A675 PolarHBondContact O-N 2.96Å |
| 672 | D | 97.2 | Very high | 94 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 172.4 | -76 | 9.8 | 0 | 0 | 0 | 112.3 | Y522 Y668 I669 A675 A676 H699 L703 | Y522-D672 WeakPolarHBondContact CE1-OD1 3.14Å; Y668-D672 WeakPolarHBondContact CE1-OD2 3.38Å; Y668-D672 PolarHBondContact O-N 2.74Å; I669-D672 PolarHBondContact O-N 3.38Å; D672-A675 PolarHBondContact O-N 3.26Å; D672-A676 WeakPolarHBondContact O-CB 3.28Å; D672-A676 PolarHBondContact O-N 2.89Å; D672-H699 IonicContact OD2-CD2 3.56Å; D672-H699 IonicContact OD2-CE1 3.59Å; D672-H699 PolarHBondContact OD2-CE1 3.12Å; D672-H699 IonicContact OD2-NE2 3.54Å; D672-H699 PolarHBondContact OD2-NE2 2.87Å; D672-L703 HydrophobicContact CB-CD1 3.81Å; D672-L703 HydrophobicContact CB-CD2 4.33Å |
| 673 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 172.8 | -72.8 | 167.2 | 0 | 0 | 0 | 110.9 | W634 V659 I669 R671 A675 A676 I677 L703 I706 L707 | W634-L673 HydrophobicContact CH2-CB 3.96Å; W634-L673 HydrophobicContact CH2-CD1 4.25Å; W634-L673 HydrophobicContact CZ3-CB 4.38Å; W634-L673 HydrophobicContact CZ3-CD1 4Å; V659-L673 HydrophobicContact CG1-CD1 4.28Å; I669-L673 WeakPolarHBondContact O-CB 3.45Å; I669-L673 WeakPolarHBondContact O-CG 3.18Å; I669-L673 PolarHBondContact O-N 3.31Å; R671-L673 VanDerWaalsContact C-N 3.34Å; R671-L673 PolarHBondContact O-N 3.04Å; L673-A675 VanDerWaalsContact C-N 3.34Å; L673-A675 PolarHBondContact O-N 2.98Å; L673-A676 PolarHBondContact O-N 2.66Å; L673-I677 WeakPolarHBondContact O-CD1 3.27Å; L673-I677 VanDerWaalsContact O-CG1 3.26Å; L673-I677 WeakPolarHBondContact O-CG1 3.39Å; L673-I677 PolarHBondContact O-N 3.36Å; L673-L703 HydrophobicContact CB-CD1 4.39Å; L673-L703 HydrophobicContact CD2-CD1 3.52Å; L673-L703 HydrophobicContact CD2-CG 4.42Å; L673-L703 HydrophobicContact CG-CD1 3.62Å; L673-I706 HydrophobicContact CD1-CB 4.22Å; L673-I706 HydrophobicContact CD1-CD1 4.36Å; L673-I706 HydrophobicContact CD1-CG2 3.52Å; L673-I706 HydrophobicContact CD2-CB 4.14Å; L673-I706 HydrophobicContact CD2-CG2 4Å; L673-I706 HydrophobicContact CG-CG2 4.43Å; L673-L707 HydrophobicContact CD2-CB 4.49Å; L673-L707 HydrophobicContact CD2-CD2 3.61Å; L673-L707 HydrophobicContact CD2-CG 3.52Å |
| 674 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E626 A627 A670 R671 I677 A678 | E626-A674 HydrophobicContact CB-CB 4.35Å; E626-A674 HydrophobicContact CG-CB 4.2Å; A627-A674 HydrophobicContact CB-CB 4.06Å; A670-A674 PolarHBondContact O-N 2.69Å; A670-A674 VanDerWaalsContact O-N 3.12Å; R671-A674 PolarHBondContact O-N 3.49Å; A674-I677 PolarHBondContact O-N 3.46Å; A674-A678 VanDerWaalsContact O-CB 3.28Å; A674-A678 WeakPolarHBondContact O-CB 3.5Å; A674-A678 PolarHBondContact O-N 3.48Å |
| 675 | A | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y522 Y623 R671 D672 L673 I677 A678 R679 | Y522-A675 HydrophobicContact CE2-CB 4.46Å; Y623-A675 HydrophobicContact CD1-CB 4.11Å; Y623-A675 HydrophobicContact CD2-CB 3.89Å; Y623-A675 HydrophobicContact CE1-CB 4.13Å; Y623-A675 HydrophobicContact CE2-CB 3.88Å; Y623-A675 HydrophobicContact CG-CB 3.97Å; R671-A675 WeakPolarHBondContact O-CB 2.99Å; R671-A675 PolarHBondContact O-N 2.96Å; D672-A675 PolarHBondContact O-N 3.26Å; L673-A675 VanDerWaalsContact C-N 3.34Å; L673-A675 PolarHBondContact O-N 2.98Å; A675-I677 PolarHBondContact O-N 3.31Å; A675-A678 PolarHBondContact O-N 2.84Å; A675-R679 WeakPolarHBondContact O-CB 3.44Å; A675-R679 WeakPolarHBondContact O-CD 3.01Å; A675-R679 WeakPolarHBondContact O-CG 3.22Å; A675-R679 PolarHBondContact O-N 3.22Å |
| 676 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D672 L673 R679 Q680 L707 L715 | D672-A676 WeakPolarHBondContact O-CB 3.28Å; D672-A676 PolarHBondContact O-N 2.89Å; L673-A676 PolarHBondContact O-N 2.66Å; A676-R679 PolarHBondContact O-N 2.95Å; A676-Q680 PolarHBondContact O-N 3.44Å; A676-L707 HydrophobicContact CB-CD1 4.3Å; A676-L715 HydrophobicContact CB-CD2 4.4Å |
| 677 | I | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -44.3 | 179 | -66 | 165.1 | 0 | 0 | 0 | 110.7 | W634 L673 A674 A675 R679 Q680 R681 L707 F712 L715 | W634-I677 HydrophobicContact CH2-CD1 3.89Å; W634-I677 HydrophobicContact CZ2-CD1 3.55Å; L673-I677 WeakPolarHBondContact O-CD1 3.27Å; L673-I677 VanDerWaalsContact O-CG1 3.26Å; L673-I677 WeakPolarHBondContact O-CG1 3.39Å; L673-I677 PolarHBondContact O-N 3.36Å; A674-I677 PolarHBondContact O-N 3.46Å; A675-I677 PolarHBondContact O-N 3.31Å; I677-R679 VanDerWaalsContact C-N 3.33Å; I677-R679 PolarHBondContact O-N 3.44Å; I677-Q680 WeakPolarHBondContact O-CB 3.33Å; I677-Q680 PolarHBondContact O-N 2.85Å; I677-R681 WeakPolarHBondContact O-CG 3.41Å; I677-R681 PolarHBondContact O-N 3.4Å; I677-R681 VanDerWaalsContact O-N 3.09Å; I677-L707 HydrophobicContact CD1-CD2 4.21Å; I677-L707 HydrophobicContact CG1-CD2 4Å; I677-F712 HydrophobicContact CD1-CD2 4.17Å; I677-F712 HydrophobicContact CD1-CE2 3.86Å; I677-F712 HydrophobicContact CD1-CZ 4.25Å; I677-F712 HydrophobicContact CG1-CD2 4.43Å; I677-F712 HydrophobicContact CG1-CE2 4.34Å; I677-F712 HydrophobicContact CG1-CZ 4.43Å; I677-F712 HydrophobicContact CG2-CE1 4.37Å; I677-F712 HydrophobicContact CG2-CZ 4.26Å; I677-L715 HydrophobicContact CG1-CD2 4.11Å |
| 678 | A | 97.1 | Very high | 96.9 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y623 A674 A675 Q680 R681 T682 | Y623-A678 HydrophobicContact CD1-CB 4.21Å; Y623-A678 HydrophobicContact CE1-CB 3.59Å; A674-A678 VanDerWaalsContact O-CB 3.28Å; A674-A678 WeakPolarHBondContact O-CB 3.5Å; A674-A678 PolarHBondContact O-N 3.48Å; A675-A678 PolarHBondContact O-N 2.84Å; A678-Q680 VanDerWaalsContact C-N 3.34Å; A678-Q680 PolarHBondContact O-N 3.4Å; A678-R681 PolarHBondContact O-N 3.22Å; A678-R681 VanDerWaalsContact O-N 3.16Å; A678-T682 WeakPolarHBondContact O-CB 3.42Å; A678-T682 PolarHBondContact O-N 2.91Å; A678-T682 PolarHBondContact O-OG1 3.37Å; A678-T682 VanDerWaalsContact O-OG1 3.08Å |
| 679 | R | 97.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.7 | -71.8 | 167.4 | -173.3 | 167.9 | 2.4 | 112.7 | I480 E482 I520 E618 A675 A676 I677 R681 T682 Y683 Y690 | I480-R679 HydrophobicContact CD1-CB 4.12Å; I480-R679 HydrophobicContact CD1-CG 4.47Å; E482-R679 IonicContact OE2-CZ 3.8Å; E482-R679 IonicContact OE2-NH1 3.25Å; E482-R679 PolarHBondContact OE2-NH1 3.19Å; E482-R679 IonicContact OE2-NH2 3.71Å; E482-R679 PolarHBondContact OE2-NH2 3.31Å; I520-R679 HydrophobicContact CD1-CG 4.41Å; E618-R679 IonicContact OE1-NE 3.85Å; E618-R679 IonicContact OE2-CZ 3.73Å; E618-R679 VanDerWaalsContact OE2-CZ 3.23Å; E618-R679 IonicContact OE2-NE 2.85Å; E618-R679 PolarHBondContact OE2-NE 2.72Å; E618-R679 IonicContact OE2-NH2 3.65Å; E618-R679 PolarHBondContact OE2-NH2 3.5Å; A675-R679 WeakPolarHBondContact O-CB 3.44Å; A675-R679 WeakPolarHBondContact O-CD 3.01Å; A675-R679 WeakPolarHBondContact O-CG 3.22Å; A675-R679 PolarHBondContact O-N 3.22Å; A676-R679 PolarHBondContact O-N 2.95Å; I677-R679 VanDerWaalsContact C-N 3.33Å; I677-R679 PolarHBondContact O-N 3.44Å; R679-R681 VanDerWaalsContact C-N 3.31Å; R679-R681 PolarHBondContact O-N 3.08Å; R679-T682 PolarHBondContact O-N 2.94Å; R679-Y683 HydrophobicContact CB-CD2 4.08Å; R679-Y683 HydrophobicContact CG-CD2 4.15Å; R679-Y683 HydrophobicContact CG-CE2 4.21Å; R679-Y683 WeakPolarHBondContact O-CB 3.48Å; R679-Y683 PolarHBondContact O-N 2.81Å; R679-Y690 PolarHBondContact NH1-OH 3.5Å |
| 680 | Q | 97.2 | Very high | 97.3 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 23% | 0.229 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 173.6 | 177.7 | 54.9 | 49.8 | 0 | 0 | 111.7 | A676 I677 A678 Q684 L715 K718 | A676-Q680 PolarHBondContact O-N 3.44Å; I677-Q680 WeakPolarHBondContact O-CB 3.33Å; I677-Q680 PolarHBondContact O-N 2.85Å; A678-Q680 VanDerWaalsContact C-N 3.34Å; A678-Q680 PolarHBondContact O-N 3.4Å; Q680-Q684 WeakPolarHBondContact O-CA 3.45Å; Q680-Q684 PolarHBondContact O-N 2.86Å; Q680-L715 HydrophobicContact CB-CD1 3.82Å; Q680-L715 HydrophobicContact CB-CD2 3.91Å; Q680-L715 HydrophobicContact CB-CG 4.46Å; Q680-L715 HydrophobicContact CG-CD1 4.14Å; Q680-L715 HydrophobicContact CG-CD2 4.36Å; Q680-K718 VanDerWaalsContact OE1-NZ 3.09Å |
| 681 | R | 96.2 | Very high | 97.3 | Very high | 149 Ų | 149 | 32.2 Ų | 32.2 | 56% | 0.562 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -68.9 | -45.5 | 175.6 | -62.5 | 176.5 | -160.2 | 153.7 | 7.4 | 112 | E626 I677 A678 R679 | E626-R681 IonicContact OE1-CZ 2.94Å; E626-R681 IonicContact OE1-NH1 2.68Å; E626-R681 PolarHBondContact OE1-NH1 3.37Å; E626-R681 IonicContact OE1-NH2 3.84Å; I677-R681 WeakPolarHBondContact O-CG 3.41Å; I677-R681 PolarHBondContact O-N 3.4Å; I677-R681 VanDerWaalsContact O-N 3.09Å; A678-R681 PolarHBondContact O-N 3.22Å; A678-R681 VanDerWaalsContact O-N 3.16Å; R679-R681 VanDerWaalsContact C-N 3.31Å; R679-R681 PolarHBondContact O-N 3.08Å |
| 682 | T | 96.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 32 Ų | 32 | 61% | 0.613 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -77.4 | -47.4 | -172.9 | -58 | 0 | 0 | 0 | 0 | 113.4 | A678 R679 | A678-T682 WeakPolarHBondContact O-CB 3.42Å; A678-T682 PolarHBondContact O-N 2.91Å; A678-T682 PolarHBondContact O-OG1 3.37Å; A678-T682 VanDerWaalsContact O-OG1 3.08Å; R679-T682 PolarHBondContact O-N 2.94Å |
| 683 | Y | 96.2 | Very high | 97.2 | Very high | 64 Ų | 64 | 33.4 Ų | 33.4 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -104.2 | -19.2 | -170.7 | -60.4 | -73.4 | 0 | 0 | 0 | 113.5 | I480 T518 I520 R679 P685 | I480-Y683 HydrophobicContact CD1-CD2 3.73Å; I480-Y683 HydrophobicContact CD1-CG 3.97Å; T518-Y683 HydrophobicContact CG2-CD1 4.43Å; T518-Y683 HydrophobicContact CG2-CE1 4.01Å; I520-Y683 HydrophobicContact CD1-CE2 4Å; R679-Y683 HydrophobicContact CB-CD2 4.08Å; R679-Y683 HydrophobicContact CG-CD2 4.15Å; R679-Y683 HydrophobicContact CG-CE2 4.21Å; R679-Y683 WeakPolarHBondContact O-CB 3.48Å; R679-Y683 PolarHBondContact O-N 2.81Å; Y683-P685 VanDerWaalsContact C-N 3.32Å |
| 684 | Q | 96.4 | Very high | 97 | Very high | 102 Ų | 102 | 35.6 Ų | 35.6 | 48% | 0.477 | 17% | 0.174 | S | C | . | . | trans | 44 | 53.7 | -172 | -59.2 | 174.2 | 37.2 | 0 | 0 | 112.6 | R478 Q680 | R478-Q684 VanDerWaalsContact CZ-O 3.23Å; R478-Q684 PolarHBondContact NE-O 3.34Å; R478-Q684 VanDerWaalsContact NE-O 3.12Å; R478-Q684 PolarHBondContact NH2-O 2.85Å; Q680-Q684 WeakPolarHBondContact O-CA 3.45Å; Q680-Q684 PolarHBondContact O-N 2.86Å | ||
| 685 | P | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -68.6 | 150.8 | -174.1 | 32 | -34.5 | 0 | 0 | 0 | 111.2 | R478 I480 Y683 I688 K718 | R478-P685 CarbonylContact O-C 3.51Å; R478-P685 WeakPolarHBondContact O-CA 3.12Å; I480-P685 HydrophobicContact CD1-CB 3.96Å; I480-P685 HydrophobicContact CD1-CG 3.88Å; I480-P685 HydrophobicContact CG1-CB 4.04Å; I480-P685 HydrophobicContact CG1-CG 4.5Å; Y683-P685 VanDerWaalsContact C-N 3.32Å; P685-I688 HydrophobicContact CB-CG1 4.06Å; P685-I688 HydrophobicContact CG-CD1 3.74Å; P685-I688 HydrophobicContact CG-CG1 3.56Å; P685-K718 WeakPolarHBondContact O-CD 3.48Å; P685-K718 PolarHBondContact O-NZ 3.48Å | ||
| 686 | D | 97.5 | Very high | 96.5 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 32% | 0.321 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -79.4 | -34.1 | 167.2 | -60.1 | -58.1 | 0 | 0 | 0 | 110.6 | L477 R478 L479 K718 | L477-D686 VanDerWaalsContact CA-OD2 3.28Å; L477-D686 WeakPolarHBondContact CA-OD2 3.44Å; L477-D686 HydrophobicContact CB-CB 4.22Å; L477-D686 WeakPolarHBondContact CB-OD2 3.21Å; L477-D686 HydrophobicContact CD2-CB 4.2Å; R478-D686 PolarHBondContact N-OD2 2.86Å; R478-D686 PolarHBondContact O-N 3.29Å; L479-D686 HydrophobicContact CD2-CB 4.48Å; D686-K718 WeakPolarHBondContact O-CG 3.45Å |
| 687 | K | 97.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 146.4 | 174.4 | -56.1 | -176.2 | 174.7 | -178.2 | 0 | 111.9 | L479 I480 Y689 K718 F720 | L479-K687 WeakPolarHBondContact CA-O 3.34Å; L479-K687 HydrophobicContact CD2-CB 3.84Å; L479-K687 HydrophobicContact CD2-CD 4.47Å; L479-K687 HydrophobicContact CD2-CG 4.17Å; I480-K687 PolarHBondContact N-O 3.47Å; K687-Y689 HydrophobicContact CB-CE2 3.93Å; K687-Y689 HydrophobicContact CD-CE2 4.39Å; K687-Y689 VanDerWaalsContact CD-OH 3.24Å; K687-Y689 WeakPolarHBondContact CD-OH 3.46Å; K687-K718 CarbonylContact C-O 3.58Å; K687-K718 WeakPolarHBondContact CA-O 3.04Å; K687-F720 HydrophobicContact CB-CD2 3.96Å; K687-F720 HydrophobicContact CB-CE2 3.98Å; K687-F720 HydrophobicContact CD-CD2 4.16Å; K687-F720 HydrophobicContact CD-CE2 3.68Å; K687-F720 HydrophobicContact CD-CZ 4.16Å; K687-F720 HydrophobicContact CG-CD2 4.18Å; K687-F720 HydrophobicContact CG-CE2 3.69Å |
| 688 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 110.4 | 175.2 | -49 | 179.7 | 0 | 0 | 0 | 108.5 | I480 P685 Y690 L715 K718 L719 F720 | I480-I688 HydrophobicContact CB-CB 4.44Å; I480-I688 HydrophobicContact CB-CG1 4.4Å; I480-I688 HydrophobicContact CB-CG2 4.03Å; I480-I688 HydrophobicContact CD1-CG1 4.36Å; I480-I688 HydrophobicContact CG2-CG2 3.93Å; P685-I688 HydrophobicContact CB-CG1 4.06Å; P685-I688 HydrophobicContact CG-CD1 3.74Å; P685-I688 HydrophobicContact CG-CG1 3.56Å; I688-Y690 HydrophobicContact CB-CE2 3.96Å; I688-Y690 HydrophobicContact CG2-CD2 4.05Å; I688-Y690 HydrophobicContact CG2-CE2 3.31Å; I688-L715 HydrophobicContact CD1-CD1 4.13Å; I688-K718 PolarHBondContact N-O 3.15Å; I688-L719 HydrophobicContact CD1-CD1 4.36Å; I688-F720 PolarHBondContact O-N 3.38Å |
| 689 | Y | 98.5 | Very high | 96.3 | Very high | 27 Ų | 27 | 48 Ų | 48 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119 | 178.3 | -63.6 | -79.8 | 0 | 0 | 0 | 110.8 | L479 I480 V481 E482 L510 K687 F720 V722 I865 | L479-Y689 HydrophobicContact CD1-CE2 4.37Å; L479-Y689 HydrophobicContact CD2-CE2 4.34Å; I480-Y689 PolarHBondContact O-N 2.82Å; V481-Y689 CarbonylContact C-O 3.58Å; V481-Y689 WeakPolarHBondContact CA-O 3.27Å; V481-Y689 HydrophobicContact CG2-CD2 4.32Å; E482-Y689 PolarHBondContact N-O 3.26Å; L510-Y689 HydrophobicContact CD1-CD2 3.66Å; L510-Y689 HydrophobicContact CD1-CE2 3.58Å; L510-Y689 HydrophobicContact CD1-CG 4.46Å; L510-Y689 HydrophobicContact CD2-CE2 4.35Å; K687-Y689 HydrophobicContact CB-CE2 3.93Å; K687-Y689 HydrophobicContact CD-CE2 4.39Å; K687-Y689 VanDerWaalsContact CD-OH 3.24Å; K687-Y689 WeakPolarHBondContact CD-OH 3.46Å; Y689-F720 CarbonylContact C-O 3.46Å; Y689-F720 WeakPolarHBondContact CA-O 3.15Å; Y689-F720 HydrophobicContact CD1-CB 3.5Å; Y689-F720 HydrophobicContact CD1-CG 4.2Å; Y689-F720 HydrophobicContact CE1-CB 3.78Å; Y689-F720 HydrophobicContact CE1-CD2 4.31Å; Y689-F720 AromaticContact CE1-CG 3.97Å; Y689-F720 HydrophobicContact CE1-CG 3.97Å; Y689-F720 HydrophobicContact CG-CB 4.39Å; Y689-V722 HydrophobicContact CD1-CG2 3.86Å; Y689-V722 HydrophobicContact CG-CG2 4.39Å; Y689-I865 HydrophobicContact CD1-CD1 3.57Å; Y689-I865 HydrophobicContact CE1-CD1 3.49Å; Y689-I865 VanDerWaalsContact CE1-CD1 3.49Å; Y689-I865 HydrophobicContact CE2-CD1 4.48Å; Y689-I865 HydrophobicContact CG-CD1 4.13Å |
| 690 | Y | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.7 | 174 | -67.2 | -95.6 | 0 | 0 | 0 | 109.5 | E482 R679 I688 V692 F700 L719 F720 H721 V722 | E482-Y690 HydrophobicContact CB-CD1 4.19Å; E482-Y690 WeakPolarHBondContact OE2-CE1 3.3Å; R679-Y690 PolarHBondContact NH1-OH 3.5Å; I688-Y690 HydrophobicContact CB-CE2 3.96Å; I688-Y690 HydrophobicContact CG2-CD2 4.05Å; I688-Y690 HydrophobicContact CG2-CE2 3.31Å; Y690-V692 PolarHBondContact O-N 3.04Å; Y690-F700 VanDerWaalsContact CB-CE1 3.5Å; Y690-F700 HydrophobicContact CD1-CD1 4.47Å; Y690-F700 AromaticContact CD1-CE1 3.38Å; Y690-F700 HydrophobicContact CD1-CE1 3.38Å; Y690-F700 AromaticContact CD1-CZ 3.81Å; Y690-F700 HydrophobicContact CD1-CZ 3.81Å; Y690-F700 HydrophobicContact CD2-CD1 4.35Å; Y690-F700 AromaticContact CD2-CE1 3.95Å; Y690-F700 HydrophobicContact CD2-CE1 3.95Å; Y690-F700 HydrophobicContact CE1-CE1 4Å; Y690-F700 HydrophobicContact CG-CD1 4.09Å; Y690-F700 AromaticContact CG-CE1 3.31Å; Y690-F700 HydrophobicContact CG-CE1 3.31Å; Y690-F700 AromaticContact CG-CZ 3.87Å; Y690-F700 HydrophobicContact CG-CZ 3.87Å; Y690-L719 HydrophobicContact CE2-CB 4.45Å; Y690-L719 HydrophobicContact CE2-CD2 4.11Å; Y690-L719 HydrophobicContact CE2-CG 3.8Å; Y690-F720 PolarHBondContact N-O 2.77Å; Y690-H721 PolarHBondContact O-CD2 2.96Å; Y690-V722 PolarHBondContact O-N 3.35Å |
| 691 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 83.9 | -177.1 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | V481 E482 S499 M502 A506 V722 F724 | V481-V691 HydrophobicContact CG1-CG2 3.88Å; E482-V691 PolarHBondContact O-N 3.47Å; S499-V691 PolarHBondContact OG-O 3.41Å; M502-V691 HydrophobicContact CB-CG1 3.87Å; M502-V691 HydrophobicContact CG-CG1 3.89Å; A506-V691 HydrophobicContact CB-CG2 4.41Å; V691-V722 HydrophobicContact CB-CB 4.45Å; V691-V722 HydrophobicContact CG1-CB 4.44Å; V691-V722 HydrophobicContact CG1-CG1 4.41Å; V691-V722 HydrophobicContact CG2-CB 4.05Å; V691-V722 HydrophobicContact CG2-CG1 4.5Å; V691-V722 HydrophobicContact CG2-CG2 4.32Å; V691-F724 HydrophobicContact CG1-CD1 4.14Å; V691-F724 HydrophobicContact CG1-CE1 4.14Å |
| 692 | V | 95.7 | Very high | 96.3 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | trans | -129.1 | 153.2 | -171.9 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | Y690 Q696 F700 H721 K723 | Y690-V692 PolarHBondContact O-N 3.04Å; V692-Q696 HydrophobicContact CG1-CB 3.88Å; V692-Q696 VanDerWaalsContact CG1-CD 3.49Å; V692-Q696 HydrophobicContact CG1-CG 4.08Å; V692-Q696 VanDerWaalsContact CG1-NE2 3.32Å; V692-F700 HydrophobicContact CB-CE2 3.72Å; V692-F700 HydrophobicContact CB-CZ 4.21Å; V692-F700 HydrophobicContact CG1-CE2 3.98Å; V692-F700 HydrophobicContact CG2-CE2 3.78Å; V692-F700 HydrophobicContact CG2-CZ 3.73Å; V692-H721 PolarHBondContact O-NE2 2.74Å; V692-K723 WeakPolarHBondContact O-CA 3.28Å | ||
| 693 | D | 94.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 152.5 | -179 | 80.1 | 99 | 0 | 0 | 0 | 112.2 | G695 Q696 H721 F724 | D693-G695 PolarHBondContact O-N 3.39Å; D693-G695 VanDerWaalsContact O-N 3.16Å; D693-G695 VanDerWaalsContact OD1-CA 3.31Å; D693-G695 WeakPolarHBondContact OD1-CA 3.36Å; D693-G695 PolarHBondContact OD1-N 3.46Å; D693-Q696 PolarHBondContact O-N 3.28Å; D693-Q696 VanDerWaalsContact O-N 3.15Å; D693-Q696 PolarHBondContact OD2-NE2 2.94Å; D693-H721 PolarHBondContact O-NE2 3.36Å; D693-F724 HydrophobicContact CB-CD2 4.42Å; D693-F724 HydrophobicContact CB-CE2 3.79Å; D693-F724 HydrophobicContact CB-CZ 3.92Å |
| 694 | S | 94.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -61.5 | -21 | -178 | 47.2 | 0 | 0 | 0 | 0 | 114 | Q696 A697 F724 | S694-Q696 PolarHBondContact O-N 2.91Å; S694-A697 WeakPolarHBondContact O-CB 3.37Å; S694-A697 PolarHBondContact O-N 3.49Å; S694-F724 WeakPolarHBondContact CB-O 3.35Å; S694-F724 PolarHBondContact N-O 3.25Å; S694-F724 PolarHBondContact OG-O 3.18Å |
| 695 | G | 92.6 | Very high | 96.5 | Very high | 57 Ų | 57 | 37.1 Ų | 37.1 | 59% | 0.588 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -66.6 | -19.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D693 | D693-G695 PolarHBondContact O-N 3.39Å; D693-G695 VanDerWaalsContact O-N 3.16Å; D693-G695 VanDerWaalsContact OD1-CA 3.31Å; D693-G695 WeakPolarHBondContact OD1-CA 3.36Å; D693-G695 PolarHBondContact OD1-N 3.46Å |
| 696 | Q | 92.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 34% | 0.341 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -98.5 | 15.8 | 178.5 | -62.3 | -172.4 | 55.5 | 0 | 0 | 113.4 | V692 D693 S694 Q698 H699 F700 | V692-Q696 HydrophobicContact CG1-CB 3.88Å; V692-Q696 VanDerWaalsContact CG1-CD 3.49Å; V692-Q696 HydrophobicContact CG1-CG 4.08Å; V692-Q696 VanDerWaalsContact CG1-NE2 3.32Å; D693-Q696 PolarHBondContact O-N 3.28Å; D693-Q696 VanDerWaalsContact O-N 3.15Å; D693-Q696 PolarHBondContact OD2-NE2 2.94Å; S694-Q696 PolarHBondContact O-N 2.91Å; Q696-Q698 VanDerWaalsContact C-N 3.28Å; Q696-Q698 PolarHBondContact O-N 3.45Å; Q696-H699 WeakPolarHBondContact O-CB 3.49Å; Q696-H699 PolarHBondContact O-N 3.32Å; Q696-H699 VanDerWaalsContact O-N 3.17Å; Q696-F700 HydrophobicContact CB-CE2 4.47Å; Q696-F700 WeakPolarHBondContact O-CD2 3.47Å; Q696-F700 PolarHBondContact O-N 2.7Å |
| 697 | A | 94.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.5 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S694 H699 F700 D701 K723 | S694-A697 WeakPolarHBondContact O-CB 3.37Å; S694-A697 PolarHBondContact O-N 3.49Å; A697-H699 VanDerWaalsContact C-N 3.28Å; A697-H699 PolarHBondContact O-N 2.97Å; A697-F700 PolarHBondContact O-N 3.29Å; A697-D701 VanDerWaalsContact O-CG 3.31Å; A697-D701 PolarHBondContact O-N 3.02Å; A697-K723 HydrophobicContact CB-CD 4.34Å |
| 698 | Q | 95.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 33.3 Ų | 33.3 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.9 | -38 | -179.4 | -168.9 | 59.1 | 63.1 | 0 | 0 | 112.3 | R655 Q696 F700 D701 D702 | R655-Q698 VanDerWaalsContact NH2-NE2 3.12Å; Q696-Q698 VanDerWaalsContact C-N 3.28Å; Q696-Q698 PolarHBondContact O-N 3.45Å; Q698-F700 PolarHBondContact O-N 3.18Å; Q698-D701 PolarHBondContact O-N 2.74Å; Q698-D702 PolarHBondContact NE2-OD1 2.85Å; Q698-D702 WeakPolarHBondContact O-CB 3.31Å; Q698-D702 PolarHBondContact O-N 3.22Å |
| 699 | H | 97 | Very high | 96.2 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 178.1 | 173.9 | 78.3 | 0 | 0 | 0 | 112.1 | Y668 D672 Q696 A697 D702 L703 | Y668-H699 AromaticContact CD1-CE1 3.52Å; Y668-H699 AromaticContact CD1-NE2 3.87Å; Y668-H699 AromaticContact CE1-CE1 3.89Å; Y668-H699 AromaticContact CE1-NE2 3.73Å; D672-H699 IonicContact OD2-CD2 3.56Å; D672-H699 IonicContact OD2-CE1 3.59Å; D672-H699 PolarHBondContact OD2-CE1 3.12Å; D672-H699 IonicContact OD2-NE2 3.54Å; D672-H699 PolarHBondContact OD2-NE2 2.87Å; Q696-H699 WeakPolarHBondContact O-CB 3.49Å; Q696-H699 PolarHBondContact O-N 3.32Å; Q696-H699 VanDerWaalsContact O-N 3.17Å; A697-H699 VanDerWaalsContact C-N 3.28Å; A697-H699 PolarHBondContact O-N 2.97Å; H699-D702 PolarHBondContact O-N 3.32Å; H699-L703 VanDerWaalsContact O-CB 3.29Å; H699-L703 WeakPolarHBondContact O-CB 3.25Å; H699-L703 PolarHBondContact O-N 2.99Å |
| 700 | F | 97.3 | Very high | 96 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.044 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.8 | -32.4 | 177.9 | -74.3 | -73.9 | 0 | 0 | 0 | 113.2 | Y690 V692 Q696 A697 Q698 L703 K704 H721 | Y690-F700 VanDerWaalsContact CB-CE1 3.5Å; Y690-F700 HydrophobicContact CD1-CD1 4.47Å; Y690-F700 AromaticContact CD1-CE1 3.38Å; Y690-F700 HydrophobicContact CD1-CE1 3.38Å; Y690-F700 AromaticContact CD1-CZ 3.81Å; Y690-F700 HydrophobicContact CD1-CZ 3.81Å; Y690-F700 HydrophobicContact CD2-CD1 4.35Å; Y690-F700 AromaticContact CD2-CE1 3.95Å; Y690-F700 HydrophobicContact CD2-CE1 3.95Å; Y690-F700 HydrophobicContact CE1-CE1 4Å; Y690-F700 HydrophobicContact CG-CD1 4.09Å; Y690-F700 AromaticContact CG-CE1 3.31Å; Y690-F700 HydrophobicContact CG-CE1 3.31Å; Y690-F700 AromaticContact CG-CZ 3.87Å; Y690-F700 HydrophobicContact CG-CZ 3.87Å; V692-F700 HydrophobicContact CB-CE2 3.72Å; V692-F700 HydrophobicContact CB-CZ 4.21Å; V692-F700 HydrophobicContact CG1-CE2 3.98Å; V692-F700 HydrophobicContact CG2-CE2 3.78Å; V692-F700 HydrophobicContact CG2-CZ 3.73Å; Q696-F700 HydrophobicContact CB-CE2 4.47Å; Q696-F700 WeakPolarHBondContact O-CD2 3.47Å; Q696-F700 PolarHBondContact O-N 2.7Å; A697-F700 PolarHBondContact O-N 3.29Å; Q698-F700 PolarHBondContact O-N 3.18Å; F700-L703 HydrophobicContact CD1-CD2 4.08Å; F700-L703 HydrophobicContact CE1-CD2 4.33Å; F700-L703 PolarHBondContact O-N 3.42Å; F700-K704 WeakPolarHBondContact O-CG 3.45Å; F700-K704 PolarHBondContact O-N 3.08Å; F700-H721 HydrophobicContact CB-CB 4.13Å; F700-H721 HydrophobicContact CD2-CB 4.31Å; F700-H721 AromaticContact CD2-CD2 3.79Å; F700-H721 AromaticContact CD2-CE1 3.7Å; F700-H721 AromaticContact CD2-CG 3.69Å; F700-H721 AromaticContact CD2-ND1 3.68Å; F700-H721 AromaticContact CD2-NE2 3.82Å; F700-H721 AromaticContact CE2-NE2 3.98Å; F700-H721 HydrophobicContact CG-CB 4.15Å |
| 701 | D | 96.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 173.2 | -65.2 | -25.9 | 0 | 0 | 0 | 110.3 | A697 Q698 K704 M705 | A697-D701 VanDerWaalsContact O-CG 3.31Å; A697-D701 PolarHBondContact O-N 3.02Å; Q698-D701 PolarHBondContact O-N 2.74Å; D701-K704 PolarHBondContact O-N 3.05Å; D701-M705 WeakPolarHBondContact O-CB 3.32Å; D701-M705 PolarHBondContact O-N 3.29Å |
| 702 | D | 97.2 | Very high | 95.7 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.7 | -66.2 | -12.4 | 0 | 0 | 0 | 111 | R655 L657 I669 Q698 H699 K704 M705 I706 | R655-D702 IonicContact CZ-OD1 3.22Å; R655-D702 IonicContact NH1-OD1 2.67Å; R655-D702 IonicContact NH2-OD1 2.8Å; R655-D702 PolarHBondContact NH2-OD1 2.8Å; R655-D702 IonicContact NH2-OD2 3.1Å; L657-D702 HydrophobicContact CD1-CB 4.06Å; L657-D702 HydrophobicContact CD2-CB 4.37Å; I669-D702 HydrophobicContact CD1-CB 3.83Å; Q698-D702 PolarHBondContact NE2-OD1 2.85Å; Q698-D702 WeakPolarHBondContact O-CB 3.31Å; Q698-D702 PolarHBondContact O-N 3.22Å; H699-D702 PolarHBondContact O-N 3.32Å; D702-K704 PolarHBondContact O-N 3.31Å; D702-M705 PolarHBondContact O-N 3.49Å; D702-I706 VanDerWaalsContact O-CG1 3.24Å; D702-I706 WeakPolarHBondContact O-CG1 3.46Å; D702-I706 PolarHBondContact O-N 3.01Å |
| 703 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 177.2 | -175.7 | 69.7 | 0 | 0 | 0 | 111.6 | I669 D672 L673 H699 F700 L707 L719 | I669-L703 HydrophobicContact CG1-CD1 4.05Å; D672-L703 HydrophobicContact CB-CD1 3.81Å; D672-L703 HydrophobicContact CB-CD2 4.33Å; L673-L703 HydrophobicContact CB-CD1 4.39Å; L673-L703 HydrophobicContact CD2-CD1 3.52Å; L673-L703 HydrophobicContact CD2-CG 4.42Å; L673-L703 HydrophobicContact CG-CD1 3.62Å; H699-L703 VanDerWaalsContact O-CB 3.29Å; H699-L703 WeakPolarHBondContact O-CB 3.25Å; H699-L703 PolarHBondContact O-N 2.99Å; F700-L703 HydrophobicContact CD1-CD2 4.08Å; F700-L703 HydrophobicContact CE1-CD2 4.33Å; F700-L703 PolarHBondContact O-N 3.42Å; L703-L707 HydrophobicContact CG-CD1 4.49Å; L703-L707 WeakPolarHBondContact O-CB 3.5Å; L703-L707 WeakPolarHBondContact O-CG 3.39Å; L703-L707 PolarHBondContact O-N 3.09Å; L703-L719 HydrophobicContact CD2-CD2 3.64Å; L703-L719 HydrophobicContact CG-CD2 4.1Å |
| 704 | K | 97.5 | Very high | 95.7 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.4 | -75.8 | -177.1 | 172.8 | -154.3 | 0 | 112.1 | F700 D701 D702 I706 L707 S708 A716 L719 | F700-K704 WeakPolarHBondContact O-CG 3.45Å; F700-K704 PolarHBondContact O-N 3.08Å; D701-K704 PolarHBondContact O-N 3.05Å; D702-K704 PolarHBondContact O-N 3.31Å; K704-I706 VanDerWaalsContact C-N 3.31Å; K704-I706 PolarHBondContact O-N 3.49Å; K704-L707 PolarHBondContact O-N 3.47Å; K704-S708 PolarHBondContact O-N 3.18Å; K704-S708 PolarHBondContact O-OG 2.79Å; K704-A716 HydrophobicContact CB-CB 4.31Å; K704-A716 WeakPolarHBondContact CE-O 3.17Å; K704-A716 WeakPolarHBondContact O-CB 3.26Å; K704-L719 WeakPolarHBondContact CE-O 3.02Å; K704-L719 HydrophobicContact CG-CB 4.19Å; K704-L719 HydrophobicContact CG-CD2 4.46Å; K704-L719 PolarHBondContact NZ-O 3.29Å |
| 705 | M | 96.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | -178.1 | -167.6 | 172.7 | -67 | 0 | 0 | 111.4 | F650 T652 L657 D701 D702 G709 | F650-M705 HydrophobicContact CE1-CG 4.21Å; T652-M705 HydrophobicContact CG2-CG 3.93Å; T652-M705 HydrophobicContact CG2-SD 3.27Å; T652-M705 WeakPolarHBondContact CG2-SD 3.29Å; L657-M705 HydrophobicContact CD1-CB 4.21Å; L657-M705 HydrophobicContact CD1-CG 4.25Å; L657-M705 HydrophobicContact CD1-SD 3.95Å; D701-M705 WeakPolarHBondContact O-CB 3.32Å; D701-M705 PolarHBondContact O-N 3.29Å; D702-M705 PolarHBondContact O-N 3.49Å; M705-G709 PolarHBondContact O-N 3Å |
| 706 | I | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | 175.2 | -59.8 | 164.7 | 0 | 0 | 0 | 110.5 | F650 L657 V659 I669 L673 D702 K704 S708 G709 V710 | F650-I706 HydrophobicContact CB-CG1 3.85Å; F650-I706 HydrophobicContact CB-CG2 4.31Å; F650-I706 HydrophobicContact CD1-CG1 4.21Å; F650-I706 HydrophobicContact CG-CG1 4.26Å; L657-I706 HydrophobicContact CB-CD1 4Å; L657-I706 HydrophobicContact CB-CG1 4.19Å; L657-I706 HydrophobicContact CD1-CD1 4.35Å; L657-I706 HydrophobicContact CD1-CG1 3.91Å; V659-I706 HydrophobicContact CG1-CD1 3.92Å; I669-I706 HydrophobicContact CD1-CD1 3.55Å; I669-I706 HydrophobicContact CG1-CD1 4.11Å; L673-I706 HydrophobicContact CD1-CB 4.22Å; L673-I706 HydrophobicContact CD1-CD1 4.36Å; L673-I706 HydrophobicContact CD1-CG2 3.52Å; L673-I706 HydrophobicContact CD2-CB 4.14Å; L673-I706 HydrophobicContact CD2-CG2 4Å; L673-I706 HydrophobicContact CG-CG2 4.43Å; D702-I706 VanDerWaalsContact O-CG1 3.24Å; D702-I706 WeakPolarHBondContact O-CG1 3.46Å; D702-I706 PolarHBondContact O-N 3.01Å; K704-I706 VanDerWaalsContact C-N 3.31Å; K704-I706 PolarHBondContact O-N 3.49Å; I706-S708 VanDerWaalsContact C-N 3.35Å; I706-S708 PolarHBondContact O-N 3.17Å; I706-G709 CarbonylContact O-C 3.59Å; I706-G709 WeakPolarHBondContact O-CA 3.32Å; I706-G709 PolarHBondContact O-N 2.94Å; I706-G709 VanDerWaalsContact O-N 3.08Å; I706-V710 HydrophobicContact CG2-CG1 3.9Å; I706-V710 WeakPolarHBondContact O-CG1 3.22Å; I706-V710 WeakPolarHBondContact O-CG2 3.24Å; I706-V710 PolarHBondContact O-N 3.47Å |
| 707 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.5 | -48.1 | 177.6 | -79.8 | 173.1 | 0 | 0 | 0 | 112.4 | L673 A676 I677 L703 K704 G709 V710 G711 F712 L715 A716 L719 | L673-L707 HydrophobicContact CD2-CB 4.49Å; L673-L707 HydrophobicContact CD2-CD2 3.61Å; L673-L707 HydrophobicContact CD2-CG 3.52Å; A676-L707 HydrophobicContact CB-CD1 4.3Å; I677-L707 HydrophobicContact CD1-CD2 4.21Å; I677-L707 HydrophobicContact CG1-CD2 4Å; L703-L707 HydrophobicContact CG-CD1 4.49Å; L703-L707 WeakPolarHBondContact O-CB 3.5Å; L703-L707 WeakPolarHBondContact O-CG 3.39Å; L703-L707 PolarHBondContact O-N 3.09Å; K704-L707 PolarHBondContact O-N 3.47Å; L707-G709 VanDerWaalsContact C-N 3.34Å; L707-G709 PolarHBondContact O-N 3.3Å; L707-V710 PolarHBondContact O-N 2.72Å; L707-G711 PolarHBondContact O-N 2.84Å; L707-F712 HydrophobicContact CD2-CB 4.34Å; L707-F712 CarbonylContact O-C 3.56Å; L707-F712 WeakPolarHBondContact O-CA 3.45Å; L707-F712 WeakPolarHBondContact O-CB 3.48Å; L707-F712 PolarHBondContact O-N 2.78Å; L707-L715 HydrophobicContact CD1-CD2 4.47Å; L707-L715 HydrophobicContact CD1-CG 4.29Å; L707-L715 HydrophobicContact CD2-CD2 4.22Å; L707-A716 HydrophobicContact CB-CB 3.95Å; L707-L719 HydrophobicContact CD1-CD1 4.05Å; L707-L719 HydrophobicContact CD1-CD2 3.71Å |
| 708 | S | 95.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 175.8 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | K704 I706 V710 G711 A716 | K704-S708 PolarHBondContact O-N 3.18Å; K704-S708 PolarHBondContact O-OG 2.79Å; I706-S708 VanDerWaalsContact C-N 3.35Å; I706-S708 PolarHBondContact O-N 3.17Å; S708-V710 PolarHBondContact O-N 3.25Å; S708-G711 PolarHBondContact O-N 3.38Å; S708-A716 WeakPolarHBondContact OG-CB 3.06Å |
| 709 | G | 94.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -32.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M705 I706 L707 G711 | M705-G709 PolarHBondContact O-N 3Å; I706-G709 CarbonylContact O-C 3.59Å; I706-G709 WeakPolarHBondContact O-CA 3.32Å; I706-G709 PolarHBondContact O-N 2.94Å; I706-G709 VanDerWaalsContact O-N 3.08Å; L707-G709 VanDerWaalsContact C-N 3.34Å; L707-G709 PolarHBondContact O-N 3.3Å; G709-G711 VanDerWaalsContact C-N 3.33Å |
| 710 | V | 95.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 10.2 | 179.4 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | W634 A639 L640 I706 L707 S708 F712 | W634-V710 HydrophobicContact CD2-CB 4.09Å; W634-V710 HydrophobicContact CD2-CG1 3.97Å; W634-V710 HydrophobicContact CD2-CG2 4.39Å; W634-V710 HydrophobicContact CE3-CG1 4.39Å; W634-V710 HydrophobicContact CG-CB 4.15Å; W634-V710 HydrophobicContact CG-CG1 4.05Å; W634-V710 HydrophobicContact CH2-CG2 4.38Å; W634-V710 HydrophobicContact CZ2-CB 4.33Å; W634-V710 HydrophobicContact CZ2-CG2 3.77Å; A639-V710 HydrophobicContact CB-CG1 4.27Å; L640-V710 HydrophobicContact CD2-CG1 4.38Å; I706-V710 HydrophobicContact CG2-CG1 3.9Å; I706-V710 WeakPolarHBondContact O-CG1 3.22Å; I706-V710 WeakPolarHBondContact O-CG2 3.24Å; I706-V710 PolarHBondContact O-N 3.47Å; L707-V710 PolarHBondContact O-N 2.72Å; S708-V710 PolarHBondContact O-N 3.25Å; V710-F712 HydrophobicContact CG2-CD2 4.02Å |
| 711 | G | 93.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | 19 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L707 S708 G709 | L707-G711 PolarHBondContact O-N 2.84Å; S708-G711 PolarHBondContact O-N 3.38Å; G709-G711 VanDerWaalsContact C-N 3.33Å |
| 712 | F | 96.1 | Very high | 96.6 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 31% | 0.311 | 24% | 0.236 | S | C | . | . | trans | -123.4 | 53.4 | 177.2 | -60.9 | -87.9 | 0 | 0 | 0 | 113.4 | I677 L707 V710 D714 L715 A716 | I677-F712 HydrophobicContact CD1-CD2 4.17Å; I677-F712 HydrophobicContact CD1-CE2 3.86Å; I677-F712 HydrophobicContact CD1-CZ 4.25Å; I677-F712 HydrophobicContact CG1-CD2 4.43Å; I677-F712 HydrophobicContact CG1-CE2 4.34Å; I677-F712 HydrophobicContact CG1-CZ 4.43Å; I677-F712 HydrophobicContact CG2-CE1 4.37Å; I677-F712 HydrophobicContact CG2-CZ 4.26Å; L707-F712 HydrophobicContact CD2-CB 4.34Å; L707-F712 CarbonylContact O-C 3.56Å; L707-F712 WeakPolarHBondContact O-CA 3.45Å; L707-F712 WeakPolarHBondContact O-CB 3.48Å; L707-F712 PolarHBondContact O-N 2.78Å; V710-F712 HydrophobicContact CG2-CD2 4.02Å; F712-D714 PolarHBondContact O-N 3.15Å; F712-L715 HydrophobicContact CB-CB 4.01Å; F712-L715 PolarHBondContact O-N 2.92Å; F712-L715 VanDerWaalsContact O-N 3.16Å; F712-A716 PolarHBondContact O-N 3.16Å | ||
| 713 | P | 94.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -42.7 | -179.5 | 26.3 | -34.3 | 0 | 0 | 0 | 112.4 | L715 A716 D717 | P713-L715 PolarHBondContact O-N 2.82Å; P713-A716 WeakPolarHBondContact O-CB 3.31Å; P713-A716 PolarHBondContact O-N 3Å; P713-D717 PolarHBondContact O-N 3.18Å |
| 714 | D | 95 | Very high | 96.4 | Very high | 126 Ų | 126 | 43.1 Ų | 43.1 | 67% | 0.674 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.3 | -31.3 | 177.6 | -62.6 | -16.7 | 0 | 0 | 0 | 112.5 | F712 K718 | F712-D714 PolarHBondContact O-N 3.15Å; D714-K718 WeakPolarHBondContact O-CD 3.41Å; D714-K718 VanDerWaalsContact O-CG 3.24Å; D714-K718 WeakPolarHBondContact O-CG 3.49Å |
| 715 | L | 97.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.6 | -44.3 | 174.8 | -179.3 | 54.4 | 0 | 0 | 0 | 110.5 | A676 I677 Q680 I688 L707 F712 P713 D717 K718 L719 | A676-L715 HydrophobicContact CB-CD2 4.4Å; I677-L715 HydrophobicContact CG1-CD2 4.11Å; Q680-L715 HydrophobicContact CB-CD1 3.82Å; Q680-L715 HydrophobicContact CB-CD2 3.91Å; Q680-L715 HydrophobicContact CB-CG 4.46Å; Q680-L715 HydrophobicContact CG-CD1 4.14Å; Q680-L715 HydrophobicContact CG-CD2 4.36Å; I688-L715 HydrophobicContact CD1-CD1 4.13Å; L707-L715 HydrophobicContact CD1-CD2 4.47Å; L707-L715 HydrophobicContact CD1-CG 4.29Å; L707-L715 HydrophobicContact CD2-CD2 4.22Å; F712-L715 HydrophobicContact CB-CB 4.01Å; F712-L715 PolarHBondContact O-N 2.92Å; F712-L715 VanDerWaalsContact O-N 3.16Å; P713-L715 PolarHBondContact O-N 2.82Å; L715-D717 PolarHBondContact O-N 3.47Å; L715-K718 HydrophobicContact CD1-CD 4.49Å; L715-K718 WeakPolarHBondContact O-CA 3.39Å; L715-K718 WeakPolarHBondContact O-CB 3.17Å; L715-K718 PolarHBondContact O-N 2.85Å; L715-L719 HydrophobicContact CD1-CD1 3.92Å; L715-L719 HydrophobicContact CG-CD1 4Å; L715-L719 WeakPolarHBondContact O-CD1 3.4Å; L715-L719 PolarHBondContact O-N 3.4Å |
| 716 | A | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.6 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K704 L707 S708 F712 P713 K718 L719 | K704-A716 HydrophobicContact CB-CB 4.31Å; K704-A716 WeakPolarHBondContact CE-O 3.17Å; K704-A716 WeakPolarHBondContact O-CB 3.26Å; L707-A716 HydrophobicContact CB-CB 3.95Å; S708-A716 WeakPolarHBondContact OG-CB 3.06Å; F712-A716 PolarHBondContact O-N 3.16Å; P713-A716 WeakPolarHBondContact O-CB 3.31Å; P713-A716 PolarHBondContact O-N 3Å; A716-K718 PolarHBondContact O-N 3.27Å; A716-L719 PolarHBondContact O-N 3.2Å |
| 717 | D | 96.5 | Very high | 95.4 | Very high | 118 Ų | 118 | 43.8 Ų | 43.8 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20.2 | 177.3 | -72.3 | -20.1 | 0 | 0 | 0 | 113.7 | P713 L715 | P713-D717 PolarHBondContact O-N 3.18Å; L715-D717 PolarHBondContact O-N 3.47Å |
| 718 | K | 97.7 | Very high | 94.8 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11.7 | 175.6 | -63.6 | 172.2 | 178.6 | -165.3 | 0 | 113.5 | Q680 P685 D686 K687 I688 D714 L715 A716 F720 | Q680-K718 VanDerWaalsContact OE1-NZ 3.09Å; P685-K718 WeakPolarHBondContact O-CD 3.48Å; P685-K718 PolarHBondContact O-NZ 3.48Å; D686-K718 WeakPolarHBondContact O-CG 3.45Å; K687-K718 CarbonylContact C-O 3.58Å; K687-K718 WeakPolarHBondContact CA-O 3.04Å; I688-K718 PolarHBondContact N-O 3.15Å; D714-K718 WeakPolarHBondContact O-CD 3.41Å; D714-K718 VanDerWaalsContact O-CG 3.24Å; D714-K718 WeakPolarHBondContact O-CG 3.49Å; L715-K718 HydrophobicContact CD1-CD 4.49Å; L715-K718 WeakPolarHBondContact O-CA 3.39Å; L715-K718 WeakPolarHBondContact O-CB 3.17Å; L715-K718 PolarHBondContact O-N 2.85Å; A716-K718 PolarHBondContact O-N 3.27Å; K718-F720 WeakPolarHBondContact O-CD2 3.27Å; K718-F720 WeakPolarHBondContact O-CE2 3.46Å |
| 719 | L | 98.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.9 | -179.6 | -85.3 | 67.6 | 0 | 0 | 0 | 110.6 | I688 Y690 L703 K704 L707 L715 A716 | I688-L719 HydrophobicContact CD1-CD1 4.36Å; Y690-L719 HydrophobicContact CE2-CB 4.45Å; Y690-L719 HydrophobicContact CE2-CD2 4.11Å; Y690-L719 HydrophobicContact CE2-CG 3.8Å; L703-L719 HydrophobicContact CD2-CD2 3.64Å; L703-L719 HydrophobicContact CG-CD2 4.1Å; K704-L719 WeakPolarHBondContact CE-O 3.02Å; K704-L719 HydrophobicContact CG-CB 4.19Å; K704-L719 HydrophobicContact CG-CD2 4.46Å; K704-L719 PolarHBondContact NZ-O 3.29Å; L707-L719 HydrophobicContact CD1-CD1 4.05Å; L707-L719 HydrophobicContact CD1-CD2 3.71Å; L715-L719 HydrophobicContact CD1-CD1 3.92Å; L715-L719 HydrophobicContact CG-CD1 4Å; L715-L719 WeakPolarHBondContact O-CD1 3.4Å; L715-L719 PolarHBondContact O-N 3.4Å; A716-L719 PolarHBondContact O-N 3.2Å |
| 720 | F | 97.7 | Very high | 92.2 | Very high | 74 Ų | 74 | 53 Ų | 53 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.9 | 179.2 | -69.8 | -90.4 | 0 | 0 | 0 | 111 | K687 I688 Y689 Y690 K718 V722 | K687-F720 HydrophobicContact CB-CD2 3.96Å; K687-F720 HydrophobicContact CB-CE2 3.98Å; K687-F720 HydrophobicContact CD-CD2 4.16Å; K687-F720 HydrophobicContact CD-CE2 3.68Å; K687-F720 HydrophobicContact CD-CZ 4.16Å; K687-F720 HydrophobicContact CG-CD2 4.18Å; K687-F720 HydrophobicContact CG-CE2 3.69Å; I688-F720 PolarHBondContact O-N 3.38Å; Y689-F720 CarbonylContact C-O 3.46Å; Y689-F720 WeakPolarHBondContact CA-O 3.15Å; Y689-F720 HydrophobicContact CD1-CB 3.5Å; Y689-F720 HydrophobicContact CD1-CG 4.2Å; Y689-F720 HydrophobicContact CE1-CB 3.78Å; Y689-F720 HydrophobicContact CE1-CD2 4.31Å; Y689-F720 AromaticContact CE1-CG 3.97Å; Y689-F720 HydrophobicContact CE1-CG 3.97Å; Y689-F720 HydrophobicContact CG-CB 4.39Å; Y690-F720 PolarHBondContact N-O 2.77Å; K718-F720 WeakPolarHBondContact O-CD2 3.27Å; K718-F720 WeakPolarHBondContact O-CE2 3.46Å; F720-V722 PolarHBondContact O-N 2.95Å |
| 721 | H | 97.7 | Very high | 90.2 | Very high | 34 Ų | 34 | 54 Ų | 54 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 107.2 | 176.1 | -177.4 | -161 | 0 | 0 | 0 | 111.1 | Y690 V692 D693 F700 K723 | Y690-H721 PolarHBondContact O-CD2 2.96Å; V692-H721 PolarHBondContact O-NE2 2.74Å; D693-H721 PolarHBondContact O-NE2 3.36Å; F700-H721 HydrophobicContact CB-CB 4.13Å; F700-H721 HydrophobicContact CD2-CB 4.31Å; F700-H721 AromaticContact CD2-CD2 3.79Å; F700-H721 AromaticContact CD2-CE1 3.7Å; F700-H721 AromaticContact CD2-CG 3.69Å; F700-H721 AromaticContact CD2-ND1 3.68Å; F700-H721 AromaticContact CD2-NE2 3.82Å; F700-H721 AromaticContact CE2-NE2 3.98Å; F700-H721 HydrophobicContact CG-CB 4.15Å; H721-K723 VanDerWaalsContact C-N 3.34Å; H721-K723 HydrophobicContact CB-CG 4.49Å; H721-K723 WeakPolarHBondContact CE1-CG 3.16Å; H721-K723 WeakPolarHBondContact ND1-CE 3.36Å; H721-K723 WeakPolarHBondContact ND1-CG 3.41Å; H721-K723 PolarHBondContact O-N 3.39Å; H721-K723 VanDerWaalsContact O-N 3.09Å |
| 722 | V | 97.5 | Very high | 88 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | trans | -83.1 | 80.2 | 173.8 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | Y689 Y690 V691 F720 I865 | Y689-V722 HydrophobicContact CD1-CG2 3.86Å; Y689-V722 HydrophobicContact CG-CG2 4.39Å; Y690-V722 PolarHBondContact O-N 3.35Å; V691-V722 HydrophobicContact CB-CB 4.45Å; V691-V722 HydrophobicContact CG1-CB 4.44Å; V691-V722 HydrophobicContact CG1-CG1 4.41Å; V691-V722 HydrophobicContact CG2-CB 4.05Å; V691-V722 HydrophobicContact CG2-CG1 4.5Å; V691-V722 HydrophobicContact CG2-CG2 4.32Å; F720-V722 PolarHBondContact O-N 2.95Å; V722-I865 HydrophobicContact CG1-CG2 4.13Å; V722-I865 HydrophobicContact CG2-CD1 4.13Å | ||
| 723 | K | 95.3 | Very high | 85.5 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 24% | 0.239 | 31% | 0.314 | C | S | . | . | trans | -64.3 | 137.2 | -178.6 | -66.4 | 168.8 | -173.7 | -177.4 | 0 | 112.4 | V692 A697 H721 R789 Q790 | V692-K723 WeakPolarHBondContact O-CA 3.28Å; A697-K723 HydrophobicContact CB-CD 4.34Å; H721-K723 VanDerWaalsContact C-N 3.34Å; H721-K723 HydrophobicContact CB-CG 4.49Å; H721-K723 WeakPolarHBondContact CE1-CG 3.16Å; H721-K723 WeakPolarHBondContact ND1-CE 3.36Å; H721-K723 WeakPolarHBondContact ND1-CG 3.41Å; H721-K723 PolarHBondContact O-N 3.39Å; H721-K723 VanDerWaalsContact O-N 3.09Å; K723-R789 VanDerWaalsContact O-CD 3.22Å; K723-R789 WeakPolarHBondContact O-CD 3.17Å; K723-R789 VanDerWaalsContact O-CG 3.29Å; K723-R789 WeakPolarHBondContact O-CG 3.4Å; K723-R789 PolarHBondContact O-NE 2.87Å; K723-R789 VanDerWaalsContact O-NE 3.09Å; K723-Q790 HydrophobicContact CB-CG 4.3Å; K723-Q790 WeakPolarHBondContact O-CG 2.89Å | ||
| 724 | F | 95.1 | Very high | 82.5 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -136.9 | 159.7 | 169 | 63.2 | -96.2 | 0 | 0 | 0 | 112.4 | R498 V691 D693 S694 R789 | R498-F724 HydrophobicContact CB-CD2 3.69Å; R498-F724 HydrophobicContact CB-CE2 3.52Å; R498-F724 HydrophobicContact CB-CZ 4.2Å; R498-F724 HydrophobicContact CG-CD2 4.48Å; R498-F724 HydrophobicContact CG-CE2 4.5Å; V691-F724 HydrophobicContact CG1-CD1 4.14Å; V691-F724 HydrophobicContact CG1-CE1 4.14Å; D693-F724 HydrophobicContact CB-CD2 4.42Å; D693-F724 HydrophobicContact CB-CE2 3.79Å; D693-F724 HydrophobicContact CB-CZ 3.92Å; S694-F724 WeakPolarHBondContact CB-O 3.35Å; S694-F724 PolarHBondContact N-O 3.25Å; S694-F724 PolarHBondContact OG-O 3.18Å; F724-R789 CarbonylContact C-O 3.59Å; F724-R789 VanDerWaalsContact CA-O 3.31Å; F724-R789 WeakPolarHBondContact CA-O 3.28Å; F724-R789 HydrophobicContact CB-CB 4.1Å; F724-R789 HydrophobicContact CB-CG 4.4Å; F724-R789 WeakPolarHBondContact CB-O 3.4Å |
| 725 | G | 93.5 | Very high | 80 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | trans | -84.3 | -165.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R498 R789 D792 | R498-G725 WeakPolarHBondContact CD-O 3.48Å; R498-G725 PolarHBondContact NH1-O 3.35Å; G725-R789 PolarHBondContact N-O 3.41Å; G725-D792 VanDerWaalsContact CA-OD1 3.23Å; G725-D792 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 726 | K | 90.2 | Very high | 77.9 | Confident | 119 Ų | 119 | 77.6 Ų | 77.6 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | trans | -106.6 | 149.6 | -179.6 | -62.8 | 179 | -178.3 | 177.1 | 0 | 113.1 | D792 Y793 | K726-D792 PolarHBondContact N-OD1 2.6Å; K726-D792 VanDerWaalsContact O-CA 3.23Å; K726-D792 WeakPolarHBondContact O-CA 3.35Å; K726-Y793 PolarHBondContact O-N 3.44Å; K726-Y793 VanDerWaalsContact O-N 3.11Å | ||
| 727 | I | 87.8 | Confident | 76.4 | Confident | 29 Ų | 29 | 80.7 Ų | 80.7 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 126.1 | 164 | -45.3 | -173.7 | 0 | 0 | 0 | 107.7 | V494 L497 R498 T730 Y793 F795 | V494-I727 HydrophobicContact CG1-CB 3.96Å; V494-I727 HydrophobicContact CG1-CD1 3.55Å; V494-I727 HydrophobicContact CG1-CG1 4.09Å; V494-I727 HydrophobicContact CG1-CG2 4.4Å; L497-I727 HydrophobicContact CD2-CD1 4.38Å; R498-I727 VanDerWaalsContact CD-CG1 3.48Å; R498-I727 HydrophobicContact CG-CD1 3.56Å; R498-I727 HydrophobicContact CG-CG1 3.56Å; I727-T730 HydrophobicContact CB-CG2 3.99Å; I727-T730 HydrophobicContact CG2-CG2 3.39Å; I727-Y793 WeakPolarHBondContact CA-O 3.23Å; I727-Y793 HydrophobicContact CD1-CE1 4.36Å; I727-Y793 WeakPolarHBondContact CD1-OH 3.33Å; I727-Y793 HydrophobicContact CG1-CE1 3.89Å; I727-Y793 HydrophobicContact CG2-CE2 3.94Å; I727-F795 HydrophobicContact CG2-CB 3.58Å |
| 728 | R | 83.5 | Confident | 75.5 | Confident | 142 Ų | 142 | 76.2 Ų | 76.2 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 158.2 | 176.6 | -61 | -179.8 | -173.8 | -174 | 0.2 | 109.7 | T730 D792 Y793 D794 F795 | R728-T730 PolarHBondContact O-N 2.84Å; R728-D792 IonicContact CZ-OD2 3.17Å; R728-D792 IonicContact NE-OD2 2.64Å; R728-D792 PolarHBondContact NE-OD2 2.85Å; R728-D792 IonicContact NH2-OD2 2.87Å; R728-D792 PolarHBondContact NH2-OD2 3.24Å; R728-Y793 PolarHBondContact N-O 2.67Å; R728-D794 VanDerWaalsContact CB-OD1 3.28Å; R728-D794 WeakPolarHBondContact CB-OD1 3.28Å; R728-D794 WeakPolarHBondContact O-CA 3.35Å; R728-F795 PolarHBondContact O-N 3.05Å |
| 729 | N | 74.3 | Confident | 75 | Confident | 117 Ų | 117 | 76 Ų | 76 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | trans | 50.6 | 46.5 | 170.2 | -62.7 | -42.2 | 0 | 0 | 0 | 114.9 | S731 D794 | N729-S731 PolarHBondContact O-N 3.04Å; N729-D794 HydrophobicContact CB-CB 4.45Å; N729-D794 PolarHBondContact ND2-OD1 3.16Å | ||
| 730 | T | 62.3 | Low | 74.6 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 13% | 0.129 | 40% | 0.397 | C | S | . | . | trans | -72.9 | -9.5 | -173.8 | 50.6 | 0 | 0 | 0 | 0 | 115 | V494 I727 R728 V738 F795 | V494-T730 HydrophobicContact CB-CG2 4.21Å; V494-T730 HydrophobicContact CG1-CG2 3.69Å; V494-T730 HydrophobicContact CG2-CG2 4.18Å; I727-T730 HydrophobicContact CB-CG2 3.99Å; I727-T730 HydrophobicContact CG2-CG2 3.39Å; R728-T730 PolarHBondContact O-N 2.84Å; T730-V738 VanDerWaalsContact OG1-CG2 3.28Å; T730-V738 WeakPolarHBondContact OG1-CG2 3.25Å; T730-F795 HydrophobicContact CG2-CB 4.4Å | ||
| 731 | S | 52.6 | Low | 74.1 | Confident | 35 Ų | 35 | 74 Ų | 74 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -138.2 | 150.2 | 178 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | N729 R733 | N729-S731 PolarHBondContact O-N 3.04Å; S731-R733 PolarHBondContact O-N 3.1Å; S731-R733 PolarHBondContact OG-N 3.11Å; S731-R733 VanDerWaalsContact OG-N 3.08Å |
| 732 | T | 47.8 | Very low | 73.6 | Confident | 132 Ų | 132 | 76.5 Ų | 76.5 | 81% | 0.81 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -63.4 | -10.7 | 165.3 | 48.8 | 0 | 0 | 0 | 0 | 113 | ||
| 733 | R | 43.2 | Very low | 73.3 | Confident | 210 Ų | 210 | 76.2 Ų | 76.2 | 79% | 0.792 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -102.5 | 119.6 | 177 | -59.1 | 179.9 | -177.7 | -175.6 | -0.4 | 109.9 | S731 | S731-R733 PolarHBondContact O-N 3.1Å; S731-R733 PolarHBondContact OG-N 3.11Å; S731-R733 VanDerWaalsContact OG-N 3.08Å |
| 734 | Q | 32.6 | Very low | 73 | Confident | 196 Ų | 196 | 73.7 Ų | 73.7 | 92% | 0.916 | 40% | 0.396 | S | S | * | . | trans | -56.5 | 138.6 | -175.4 | -68.1 | -171 | -13 | 0 | 0 | 113.7 | K736 | Q734-K736 PolarHBondContact O-N 2.93Š| ||
| 735 | G | 41.8 | Very low | 72.9 | Confident | 89 Ų | 89 | 77.4 Ų | 77.4 | 92% | 0.918 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 84.9 | -0.3 | 144 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 736 | K | 53.4 | Low | 72.8 | Confident | 188 Ų | 188 | 80.4 Ų | 80.4 | 82% | 0.817 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -111 | 148.7 | 176.8 | -75 | -177 | 178.7 | 178.7 | 0 | 112.8 | Q734 V738 | Q734-K736 PolarHBondContact O-N 2.93Å; K736-V738 PolarHBondContact O-N 2.97Å |
| 737 | G | 65.1 | Low | 72.8 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 70% | 0.701 | 41% | 0.405 | S | S | * | . | trans | -60.3 | 107.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 738 | V | 79.3 | Confident | 73.1 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | trans | -73.5 | 132.6 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | H493 V494 T730 K736 L743 | H493-V738 WeakPolarHBondContact CA-O 3.47Å; H493-V738 WeakPolarHBondContact CB-O 2.95Å; V494-V738 HydrophobicContact CG2-CB 4.01Å; V494-V738 HydrophobicContact CG2-CG1 4.26Å; V494-V738 WeakPolarHBondContact CG2-O 3.26Å; V494-V738 PolarHBondContact N-O 3.08Å; V494-V738 VanDerWaalsContact N-O 3.1Å; T730-V738 VanDerWaalsContact OG1-CG2 3.28Å; T730-V738 WeakPolarHBondContact OG1-CG2 3.25Å; K736-V738 PolarHBondContact O-N 2.97Å; V738-L743 HydrophobicContact CG1-CB 4.19Å | ||
| 739 | L | 86.5 | Confident | 73.6 | Confident | 44 Ų | 44 | 72 Ų | 72 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 144.6 | 173.4 | -58.3 | -175.8 | 0 | 0 | 0 | 110.2 | P491 S741 D742 L743 | P491-L739 HydrophobicContact CB-CD2 3.64Å; P491-L739 HydrophobicContact CG-CD2 3.93Å; L739-S741 VanDerWaalsContact C-N 3.28Å; L739-S741 PolarHBondContact O-N 3.04Å; L739-D742 HydrophobicContact CB-CB 4.28Å; L739-D742 PolarHBondContact O-N 3.37Å; L739-L743 PolarHBondContact O-N 3.23Å |
| 740 | V | 88.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 178.6 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | F492 L497 L743 L744 | F492-V740 HydrophobicContact CD1-CB 3.82Å; F492-V740 HydrophobicContact CD1-CG1 4.41Å; F492-V740 HydrophobicContact CD1-CG2 3.53Å; F492-V740 HydrophobicContact CE1-CB 4.21Å; F492-V740 HydrophobicContact CE1-CG1 4.4Å; F492-V740 HydrophobicContact CE1-CG2 3.73Å; F492-V740 PolarHBondContact O-N 3.21Å; L497-V740 HydrophobicContact CB-CG2 3.94Å; L497-V740 HydrophobicContact CD1-CG1 4.08Å; V740-L743 PolarHBondContact O-N 3.1Å; V740-L744 HydrophobicContact CG1-CD1 3.81Å; V740-L744 HydrophobicContact CG1-CG 4.2Å; V740-L744 WeakPolarHBondContact O-CB 3.45Å; V740-L744 VanDerWaalsContact O-CG 3.26Å; V740-L744 WeakPolarHBondContact O-CG 3.45Å; V740-L744 PolarHBondContact O-N 2.81Å |
| 741 | S | 87.8 | Confident | 75.7 | Confident | 37 Ų | 37 | 67 Ų | 67 | 26% | 0.259 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 173.7 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | L739 L743 L744 N745 | L739-S741 VanDerWaalsContact C-N 3.28Å; L739-S741 PolarHBondContact O-N 3.04Å; S741-L743 PolarHBondContact O-N 3Å; S741-L744 PolarHBondContact O-N 3.04Å; S741-N745 WeakPolarHBondContact O-CB 3.03Å; S741-N745 PolarHBondContact O-N 3.26Å; S741-N745 PolarHBondContact O-ND2 3.14Å |
| 742 | D | 88.3 | Confident | 77.5 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 178 | -64.4 | -20.5 | 0 | 0 | 0 | 111.2 | L739 L744 N745 E746 | L739-D742 HydrophobicContact CB-CB 4.28Å; L739-D742 PolarHBondContact O-N 3.37Å; D742-L744 PolarHBondContact O-N 3.1Å; D742-N745 PolarHBondContact O-N 2.91Å; D742-E746 WeakPolarHBondContact O-CB 3.34Å; D742-E746 PolarHBondContact O-N 3.46Å |
| 743 | L | 89.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 176.7 | -176.5 | 68.6 | 0 | 0 | 0 | 111.4 | V494 L497 V738 L739 V740 S741 E746 G747 L780 F795 W797 | V494-L743 HydrophobicContact CG2-CD2 3.82Å; L497-L743 HydrophobicContact CD2-CD2 4.18Å; V738-L743 HydrophobicContact CG1-CB 4.19Å; L739-L743 PolarHBondContact O-N 3.23Å; V740-L743 PolarHBondContact O-N 3.1Å; S741-L743 PolarHBondContact O-N 3Å; L743-E746 PolarHBondContact O-N 3.08Å; L743-G747 PolarHBondContact O-N 3.18Å; L743-L780 HydrophobicContact CD2-CD1 4.08Å; L743-L780 HydrophobicContact CD2-CD2 4.45Å; L743-F795 HydrophobicContact CD1-CD1 4.08Å; L743-F795 HydrophobicContact CD1-CE1 3.93Å; L743-W797 HydrophobicContact CD1-CZ2 4.15Å; L743-W797 HydrophobicContact CG-CZ2 4.02Å; L743-W797 WeakPolarHBondContact O-CZ2 3.41Å; L743-W797 PolarHBondContact O-NE1 2.82Å |
| 744 | L | 90.8 | Very high | 81.4 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 179.4 | -70.8 | 172.2 | 0 | 0 | 0 | 112.3 | Q609 L610 V740 S741 D742 G747 T748 L777 L780 | Q609-L744 HydrophobicContact CG-CD1 4.21Å; L610-L744 HydrophobicContact CD2-CD1 4.12Å; V740-L744 HydrophobicContact CG1-CD1 3.81Å; V740-L744 HydrophobicContact CG1-CG 4.2Å; V740-L744 WeakPolarHBondContact O-CB 3.45Å; V740-L744 VanDerWaalsContact O-CG 3.26Å; V740-L744 WeakPolarHBondContact O-CG 3.45Å; V740-L744 PolarHBondContact O-N 2.81Å; S741-L744 PolarHBondContact O-N 3.04Å; D742-L744 PolarHBondContact O-N 3.1Å; L744-G747 PolarHBondContact O-N 3.16Å; L744-T748 WeakPolarHBondContact O-CB 3.46Å; L744-T748 PolarHBondContact O-N 3.2Å; L744-T748 PolarHBondContact O-OG1 3.31Å; L744-L777 HydrophobicContact CD2-CD1 4.41Å; L744-L780 HydrophobicContact CD2-CD2 3.74Å |
| 745 | N | 91.8 | Very high | 84 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.6 | -72.2 | -21.3 | 0 | 0 | 0 | 111.3 | S741 D742 G747 T748 L749 | S741-N745 WeakPolarHBondContact O-CB 3.03Å; S741-N745 PolarHBondContact O-N 3.26Å; S741-N745 PolarHBondContact O-ND2 3.14Å; D742-N745 PolarHBondContact O-N 2.91Å; N745-G747 VanDerWaalsContact C-N 3.33Å; N745-G747 PolarHBondContact O-N 3.49Å; N745-T748 WeakPolarHBondContact O-CB 3.26Å; N745-T748 PolarHBondContact O-N 3.37Å; N745-L749 WeakPolarHBondContact O-CG 3.47Å; N745-L749 PolarHBondContact O-N 2.74Å |
| 746 | E | 91.3 | Very high | 86 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 174.3 | -174.6 | -174.8 | 157.2 | 0 | 0 | 111.5 | D742 L743 T748 L749 T750 | D742-E746 WeakPolarHBondContact O-CB 3.34Å; D742-E746 PolarHBondContact O-N 3.46Å; L743-E746 PolarHBondContact O-N 3.08Å; E746-T748 VanDerWaalsContact C-N 3.34Å; E746-T748 PolarHBondContact O-N 3.44Å; E746-L749 PolarHBondContact O-N 3Å; E746-T750 WeakPolarHBondContact O-CB 3.43Å; E746-T750 PolarHBondContact O-N 3.5Å; E746-T750 PolarHBondContact O-OG1 3.15Å |
| 747 | G | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L743 L744 N745 T750 A751 A776 W797 | L743-G747 PolarHBondContact O-N 3.18Å; L744-G747 PolarHBondContact O-N 3.16Å; N745-G747 VanDerWaalsContact C-N 3.33Å; N745-G747 PolarHBondContact O-N 3.49Å; G747-T750 PolarHBondContact O-N 3.04Å; G747-A751 VanDerWaalsContact O-CB 3.3Å; G747-A751 WeakPolarHBondContact O-CB 3.25Å; G747-A751 PolarHBondContact O-N 3.27Å; G747-A776 VanDerWaalsContact C-CB 3.41Å; G747-W797 VanDerWaalsContact CA-CD2 3.43Å |
| 748 | T | 93.7 | Very high | 88 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 176.7 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | L744 N745 E746 T750 A751 Q752 K773 | L744-T748 WeakPolarHBondContact O-CB 3.46Å; L744-T748 PolarHBondContact O-N 3.2Å; L744-T748 PolarHBondContact O-OG1 3.31Å; N745-T748 WeakPolarHBondContact O-CB 3.26Å; N745-T748 PolarHBondContact O-N 3.37Å; E746-T748 VanDerWaalsContact C-N 3.34Å; E746-T748 PolarHBondContact O-N 3.44Å; T748-T750 VanDerWaalsContact C-N 3.34Å; T748-T750 PolarHBondContact O-N 3.42Å; T748-A751 PolarHBondContact O-N 3.27Å; T748-Q752 VanDerWaalsContact O-CG 3.27Å; T748-Q752 WeakPolarHBondContact O-CG 3.35Å; T748-Q752 PolarHBondContact O-N 3.01Å; T748-K773 HydrophobicContact CG2-CG 3.77Å |
| 749 | L | 92.8 | Very high | 87.5 | Confident | 103 Ų | 103 | 52 Ų | 52 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.8 | -68.9 | 172.1 | 0 | 0 | 0 | 111.8 | N745 E746 A751 Q752 N753 | N745-L749 WeakPolarHBondContact O-CG 3.47Å; N745-L749 PolarHBondContact O-N 2.74Å; E746-L749 PolarHBondContact O-N 3Å; L749-A751 PolarHBondContact O-N 2.91Å; L749-Q752 WeakPolarHBondContact O-CB 3.44Å; L749-Q752 PolarHBondContact O-N 3.43Å; L749-N753 PolarHBondContact O-N 2.9Å |
| 750 | T | 90.2 | Very high | 86.7 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 177 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | E746 G747 T748 Q752 N753 V754 W797 L801 | E746-T750 WeakPolarHBondContact O-CB 3.43Å; E746-T750 PolarHBondContact O-N 3.5Å; E746-T750 PolarHBondContact O-OG1 3.15Å; G747-T750 PolarHBondContact O-N 3.04Å; T748-T750 VanDerWaalsContact C-N 3.34Å; T748-T750 PolarHBondContact O-N 3.42Å; T750-Q752 PolarHBondContact O-N 3.25Å; T750-N753 PolarHBondContact O-N 3.12Å; T750-V754 WeakPolarHBondContact O-CG2 3.37Å; T750-V754 PolarHBondContact O-N 3.17Å; T750-W797 HydrophobicContact CG2-CB 4.23Å; T750-L801 HydrophobicContact CG2-CD1 3.65Å |
| 751 | A | 90.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G747 T748 L749 N753 V754 L755 L775 L801 | G747-A751 VanDerWaalsContact O-CB 3.3Å; G747-A751 WeakPolarHBondContact O-CB 3.25Å; G747-A751 PolarHBondContact O-N 3.27Å; T748-A751 PolarHBondContact O-N 3.27Å; L749-A751 PolarHBondContact O-N 2.91Å; A751-N753 VanDerWaalsContact C-N 3.33Å; A751-N753 PolarHBondContact O-N 3.29Å; A751-V754 PolarHBondContact O-N 2.98Å; A751-L755 WeakPolarHBondContact O-CG 3.47Å; A751-L755 PolarHBondContact O-N 3.19Å; A751-L775 HydrophobicContact CB-CB 3.93Å; A751-L775 HydrophobicContact CB-CD1 4.47Å; A751-L801 HydrophobicContact CB-CD1 4.09Å; A751-L801 HydrophobicContact CB-CD2 4.15Å |
| 752 | Q | 90.5 | Very high | 85.2 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 173.3 | -71.9 | 175.5 | 13.4 | 0 | 0 | 111.9 | T748 L749 T750 L755 R756 F768 | T748-Q752 VanDerWaalsContact O-CG 3.27Å; T748-Q752 WeakPolarHBondContact O-CG 3.35Å; T748-Q752 PolarHBondContact O-N 3.01Å; L749-Q752 WeakPolarHBondContact O-CB 3.44Å; L749-Q752 PolarHBondContact O-N 3.43Å; T750-Q752 PolarHBondContact O-N 3.25Å; Q752-L755 WeakPolarHBondContact O-CB 3.46Å; Q752-L755 PolarHBondContact O-N 3.42Å; Q752-R756 WeakPolarHBondContact O-CG 3.44Å; Q752-R756 PolarHBondContact O-N 2.79Å; Q752-F768 HydrophobicContact CG-CB 4.18Å; Q752-F768 WeakPolarHBondContact CG-O 3.47Å |
| 753 | N | 88.9 | Confident | 84.6 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.4 | -71.1 | -22.1 | 0 | 0 | 0 | 111.4 | L749 T750 A751 L755 R756 F757 | L749-N753 PolarHBondContact O-N 2.9Å; T750-N753 PolarHBondContact O-N 3.12Å; A751-N753 VanDerWaalsContact C-N 3.33Å; A751-N753 PolarHBondContact O-N 3.29Å; N753-L755 VanDerWaalsContact C-N 3.26Å; N753-L755 PolarHBondContact O-N 3.37Å; N753-R756 PolarHBondContact O-N 2.93Å; N753-F757 HydrophobicContact CB-CD2 4.46Å; N753-F757 HydrophobicContact CB-CE2 4.43Å; N753-F757 WeakPolarHBondContact O-CD2 3.3Å; N753-F757 PolarHBondContact O-N 3.22Å |
| 754 | V | 85.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | T750 A751 S758 Y809 | T750-V754 WeakPolarHBondContact O-CG2 3.37Å; T750-V754 PolarHBondContact O-N 3.17Å; A751-V754 PolarHBondContact O-N 2.98Å; V754-S758 VanDerWaalsContact O-CB 3.3Å; V754-S758 WeakPolarHBondContact O-CB 3.36Å; V754-S758 PolarHBondContact O-N 2.93Å; V754-Y809 HydrophobicContact CG1-CD2 4.33Å; V754-Y809 HydrophobicContact CG1-CE2 3.73Å |
| 755 | L | 85.5 | Confident | 83.8 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.4 | -46 | 175.6 | -69.5 | 169.8 | 0 | 0 | 0 | 112.1 | A751 Q752 N753 F757 S758 T761 F768 V771 L775 | A751-L755 WeakPolarHBondContact O-CG 3.47Å; A751-L755 PolarHBondContact O-N 3.19Å; Q752-L755 WeakPolarHBondContact O-CB 3.46Å; Q752-L755 PolarHBondContact O-N 3.42Å; N753-L755 VanDerWaalsContact C-N 3.26Å; N753-L755 PolarHBondContact O-N 3.37Å; L755-F757 VanDerWaalsContact C-N 3.34Å; L755-F757 PolarHBondContact O-N 3.22Å; L755-S758 PolarHBondContact O-N 3.1Å; L755-T761 WeakPolarHBondContact O-CG2 3.43Å; L755-F768 HydrophobicContact CB-CD1 4.17Å; L755-F768 HydrophobicContact CB-CE1 4.04Å; L755-F768 HydrophobicContact CB-CZ 4.32Å; L755-F768 HydrophobicContact CD1-CD1 4.09Å; L755-F768 HydrophobicContact CD1-CG 4.48Å; L755-V771 HydrophobicContact CD1-CB 4Å; L755-V771 HydrophobicContact CD1-CG1 3.64Å; L755-V771 HydrophobicContact CD2-CG1 4.23Å; L755-L775 HydrophobicContact CD1-CD1 4.17Å; L755-L775 HydrophobicContact CD2-CD1 3.98Å; L755-L775 HydrophobicContact CG-CD1 4.11Å |
| 756 | R | 84.8 | Confident | 83.4 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58 | -42.9 | 179.8 | -78.6 | 172.1 | -177.6 | -177.5 | 2 | 112.8 | Q752 N753 F768 | Q752-R756 WeakPolarHBondContact O-CG 3.44Å; Q752-R756 PolarHBondContact O-N 2.79Å; N753-R756 PolarHBondContact O-N 2.93Å; R756-F768 HydrophobicContact CB-CE2 4.36Å; R756-F768 HydrophobicContact CG-CD2 3.8Å; R756-F768 HydrophobicContact CG-CE2 3.4Å; R756-F768 VanDerWaalsContact CG-CE2 3.4Å; R756-F768 HydrophobicContact CG-CZ 4.41Å |
| 757 | F | 81.9 | Confident | 83.2 | Confident | 171 Ų | 171 | 65.9 Ų | 65.9 | 75% | 0.75 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.8 | -176.1 | -61.3 | -67.4 | 0 | 0 | 0 | 113.7 | N753 L755 P759 | N753-F757 HydrophobicContact CB-CD2 4.46Å; N753-F757 HydrophobicContact CB-CE2 4.43Å; N753-F757 WeakPolarHBondContact O-CD2 3.3Å; N753-F757 PolarHBondContact O-N 3.22Å; L755-F757 VanDerWaalsContact C-N 3.34Å; L755-F757 PolarHBondContact O-N 3.22Å; F757-P759 WeakPolarHBondContact O-CD 3.32Å |
| 758 | S | 77.4 | Confident | 83 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | trans | -84.7 | 118.5 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 111 | V754 L755 T760 T761 | V754-S758 VanDerWaalsContact O-CB 3.3Å; V754-S758 WeakPolarHBondContact O-CB 3.36Å; V754-S758 PolarHBondContact O-N 2.93Å; L755-S758 PolarHBondContact O-N 3.1Å; S758-T760 PolarHBondContact O-N 3.47Å; S758-T760 PolarHBondContact OG-OG1 2.95Å; S758-T761 WeakPolarHBondContact O-CG2 3.38Å; S758-T761 PolarHBondContact O-N 3.29Å | ||
| 759 | P | 70.1 | Confident | 82.8 | Confident | 134 Ų | 134 | 71.5 Ų | 71.5 | 87% | 0.87 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -11 | -179.1 | 27.7 | -35.1 | 0 | 0 | 0 | 113.4 | F757 | F757-P759 WeakPolarHBondContact O-CD 3.32Š|
| 760 | T | 68.9 | Low | 82.5 | Confident | 112 Ų | 112 | 70 Ų | 70 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 6.7 | -176.9 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | S758 K762 | S758-T760 PolarHBondContact O-N 3.47Å; S758-T760 PolarHBondContact OG-OG1 2.95Å; T760-K762 PolarHBondContact O-N 2.78Å |
| 761 | T | 72.5 | Confident | 82.5 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | trans | -63.6 | 132 | 177.4 | -165.8 | 0 | 0 | 0 | 0 | 110.1 | L755 S758 V763 | L755-T761 WeakPolarHBondContact O-CG2 3.43Å; S758-T761 WeakPolarHBondContact O-CG2 3.38Å; S758-T761 PolarHBondContact O-N 3.29Å; T761-V763 PolarHBondContact OG1-N 3.45Å | ||
| 762 | K | 72.5 | Confident | 82.6 | Confident | 200 Ų | 200 | 68.5 Ų | 68.5 | 87% | 0.87 | 36% | 0.355 | S | S | * | . | trans | -110 | 11.6 | 172.4 | -62.9 | -173.5 | 179.2 | -176.4 | 0 | 111.8 | T760 | T760-K762 PolarHBondContact O-N 2.78Š| ||
| 763 | V | 77.3 | Confident | 82.6 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -92.3 | 128.9 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | T761 L767 F768 V771 L931 | T761-V763 PolarHBondContact OG1-N 3.45Å; V763-L767 HydrophobicContact CG1-CB 3.65Å; V763-F768 HydrophobicContact CB-CD1 4.33Å; V763-F768 HydrophobicContact CB-CE1 4.06Å; V763-F768 HydrophobicContact CG1-CD1 3.8Å; V763-F768 HydrophobicContact CG1-CE1 4Å; V763-F768 VanDerWaalsContact O-CE1 3.25Å; V763-F768 WeakPolarHBondContact O-CE1 3.44Å; V763-V771 HydrophobicContact CG1-CB 4.39Å; V763-V771 HydrophobicContact CG1-CG2 3.83Å; V763-V771 HydrophobicContact CG2-CG2 4.49Å; V763-L931 HydrophobicContact CG1-CD2 4.19Å; V763-L931 HydrophobicContact CG2-CD1 3.87Å; V763-L931 HydrophobicContact CG2-CD2 4.01Å |
| 764 | G | 80 | Confident | 82.7 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | trans | -71.5 | 151.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E766 L767 F768 | G764-E766 WeakPolarHBondContact CA-OE1 3.21Å; G764-E766 VanDerWaalsContact CA-OE2 3.26Å; G764-E766 WeakPolarHBondContact CA-OE2 3.33Å; G764-E766 PolarHBondContact O-N 3.17Å; G764-E766 VanDerWaalsContact O-N 3.09Å; G764-L767 PolarHBondContact O-N 3.29Å; G764-F768 VanDerWaalsContact O-CD1 3.31Å; G764-F768 WeakPolarHBondContact O-CD1 3.37Å | ||
| 765 | P | 82.4 | Confident | 83 | Confident | 99 Ų | 99 | 67 Ų | 67 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -52.4 | -31 | -179.7 | -26.8 | 35.2 | 0 | 0 | 0 | 114.5 | L767 F768 | P765-L767 PolarHBondContact O-N 3Å; P765-F768 HydrophobicContact CB-CD2 4.31Å; P765-F768 HydrophobicContact CB-CE2 4.16Å; P765-F768 HydrophobicContact CG-CE2 4.39Å; P765-F768 HydrophobicContact CG-CZ 4.45Å; P765-F768 WeakPolarHBondContact O-CB 3.44Å; P765-F768 WeakPolarHBondContact O-CG 3.27Å; P765-F768 PolarHBondContact O-N 3.47Å; P765-F768 VanDerWaalsContact O-N 3.17Å |
| 766 | E | 83.4 | Confident | 83.4 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -63.2 | -24.2 | 178.2 | 71.6 | -68.4 | 163.3 | 0 | 0 | 113.8 | G764 | G764-E766 WeakPolarHBondContact CA-OE1 3.21Å; G764-E766 VanDerWaalsContact CA-OE2 3.26Å; G764-E766 WeakPolarHBondContact CA-OE2 3.33Å; G764-E766 PolarHBondContact O-N 3.17Å; G764-E766 VanDerWaalsContact O-N 3.09Å |
| 767 | L | 86.2 | Confident | 83.8 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -98.6 | -3.4 | 177.7 | -65.4 | 178.6 | 0 | 0 | 0 | 113.2 | V763 G764 P765 E769 Q770 V771 L931 L934 A935 L938 | V763-L767 HydrophobicContact CG1-CB 3.65Å; G764-L767 PolarHBondContact O-N 3.29Å; P765-L767 PolarHBondContact O-N 3Å; L767-E769 PolarHBondContact O-N 3.09Å; L767-Q770 PolarHBondContact O-N 2.8Å; L767-V771 HydrophobicContact CB-CG2 4.25Å; L767-V771 WeakPolarHBondContact O-CB 3.4Å; L767-V771 WeakPolarHBondContact O-CG2 3.48Å; L767-V771 PolarHBondContact O-N 3.03Å; L767-L931 HydrophobicContact CD1-CB 4.2Å; L767-L931 HydrophobicContact CD1-CD2 3.99Å; L767-L931 WeakPolarHBondContact CD1-O 3.35Å; L767-L934 HydrophobicContact CD2-CB 3.72Å; L767-A935 HydrophobicContact CD1-CB 4.25Å; L767-L938 HydrophobicContact CD2-CD1 4.11Å |
| 768 | F | 88.6 | Confident | 84.3 | Confident | 16 Ų | 16 | 53 Ų | 53 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -34.4 | -175.6 | -76.3 | -0.6 | 0 | 0 | 0 | 112.7 | Q752 L755 R756 V763 G764 P765 G772 | Q752-F768 HydrophobicContact CG-CB 4.18Å; Q752-F768 WeakPolarHBondContact CG-O 3.47Å; L755-F768 HydrophobicContact CB-CD1 4.17Å; L755-F768 HydrophobicContact CB-CE1 4.04Å; L755-F768 HydrophobicContact CB-CZ 4.32Å; L755-F768 HydrophobicContact CD1-CD1 4.09Å; L755-F768 HydrophobicContact CD1-CG 4.48Å; R756-F768 HydrophobicContact CB-CE2 4.36Å; R756-F768 HydrophobicContact CG-CD2 3.8Å; R756-F768 HydrophobicContact CG-CE2 3.4Å; R756-F768 VanDerWaalsContact CG-CE2 3.4Å; R756-F768 HydrophobicContact CG-CZ 4.41Å; V763-F768 HydrophobicContact CB-CD1 4.33Å; V763-F768 HydrophobicContact CB-CE1 4.06Å; V763-F768 HydrophobicContact CG1-CD1 3.8Å; V763-F768 HydrophobicContact CG1-CE1 4Å; V763-F768 VanDerWaalsContact O-CE1 3.25Å; V763-F768 WeakPolarHBondContact O-CE1 3.44Å; G764-F768 VanDerWaalsContact O-CD1 3.31Å; G764-F768 WeakPolarHBondContact O-CD1 3.37Å; P765-F768 HydrophobicContact CB-CD2 4.31Å; P765-F768 HydrophobicContact CB-CE2 4.16Å; P765-F768 HydrophobicContact CG-CE2 4.39Å; P765-F768 HydrophobicContact CG-CZ 4.45Å; P765-F768 WeakPolarHBondContact O-CB 3.44Å; P765-F768 WeakPolarHBondContact O-CG 3.27Å; P765-F768 PolarHBondContact O-N 3.47Å; P765-F768 VanDerWaalsContact O-N 3.17Å; F768-G772 VanDerWaalsContact O-CA 3.3Å; F768-G772 WeakPolarHBondContact O-CA 3.47Å; F768-G772 PolarHBondContact O-N 2.95Å |
| 769 | E | 89.6 | Confident | 85.1 | Confident | 110 Ų | 110 | 52 Ų | 52 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -52.3 | 177 | -169.1 | -173.9 | 160 | 0 | 0 | 111.8 | L767 G772 K773 | L767-E769 PolarHBondContact O-N 3.09Å; E769-G772 PolarHBondContact O-N 3.03Å; E769-K773 WeakPolarHBondContact O-CG 2.88Å; E769-K773 PolarHBondContact O-N 3.2Å; E769-K773 VanDerWaalsContact OE1-CE 3.28Å; E769-K773 WeakPolarHBondContact OE1-CE 3.24Å; E769-K773 IonicContact OE1-NZ 3Å; E769-K773 PolarHBondContact OE1-NZ 3.25Å |
| 770 | Q | 86.7 | Confident | 86.2 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.1 | -44.3 | -177.5 | -174.3 | 179.1 | 12.2 | 0 | 0 | 112.4 | L767 G772 K773 C774 L934 | L767-Q770 PolarHBondContact O-N 2.8Å; Q770-G772 VanDerWaalsContact C-N 3.33Å; Q770-K773 PolarHBondContact O-N 3.49Å; Q770-C774 PolarHBondContact O-N 3.36Å; Q770-C774 VanDerWaalsContact O-N 3.12Å; Q770-L934 VanDerWaalsContact CD-CD1 3.42Å; Q770-L934 VanDerWaalsContact OE1-CD1 3.24Å; Q770-L934 VanDerWaalsContact OE1-CD2 3.28Å |
| 771 | V | 89.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 176.7 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | L755 V763 L767 C774 L775 L926 L931 | L755-V771 HydrophobicContact CD1-CB 4Å; L755-V771 HydrophobicContact CD1-CG1 3.64Å; L755-V771 HydrophobicContact CD2-CG1 4.23Å; V763-V771 HydrophobicContact CG1-CB 4.39Å; V763-V771 HydrophobicContact CG1-CG2 3.83Å; V763-V771 HydrophobicContact CG2-CG2 4.49Å; L767-V771 HydrophobicContact CB-CG2 4.25Å; L767-V771 WeakPolarHBondContact O-CB 3.4Å; L767-V771 WeakPolarHBondContact O-CG2 3.48Å; L767-V771 PolarHBondContact O-N 3.03Å; V771-C774 PolarHBondContact O-N 2.69Å; V771-L775 HydrophobicContact CG1-CD1 3.95Å; V771-L775 HydrophobicContact CG1-CG 4.19Å; V771-L775 WeakPolarHBondContact O-CB 3.49Å; V771-L775 WeakPolarHBondContact O-CG 3.46Å; V771-L775 PolarHBondContact O-N 2.92Å; V771-L926 HydrophobicContact CG1-CD1 3.8Å; V771-L931 HydrophobicContact CG2-CD2 3.31Å |
| 772 | G | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F768 E769 Q770 C774 L775 A776 | F768-G772 VanDerWaalsContact O-CA 3.3Å; F768-G772 WeakPolarHBondContact O-CA 3.47Å; F768-G772 PolarHBondContact O-N 2.95Å; E769-G772 PolarHBondContact O-N 3.03Å; Q770-G772 VanDerWaalsContact C-N 3.33Å; G772-C774 VanDerWaalsContact C-N 3.33Å; G772-C774 PolarHBondContact O-N 3.47Å; G772-L775 PolarHBondContact O-N 3.23Å; G772-A776 VanDerWaalsContact O-CB 3.25Å; G772-A776 WeakPolarHBondContact O-CB 3.33Å; G772-A776 PolarHBondContact O-N 3.27Å |
| 773 | K | 92.1 | Very high | 89.4 | Confident | 89 Ų | 89 | 31.7 Ų | 31.7 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 175.3 | -74.2 | 174.8 | -175.5 | 170.9 | 0 | 111.7 | T748 E769 Q770 L777 | T748-K773 HydrophobicContact CG2-CG 3.77Å; E769-K773 WeakPolarHBondContact O-CG 2.88Å; E769-K773 PolarHBondContact O-N 3.2Å; E769-K773 VanDerWaalsContact OE1-CE 3.28Å; E769-K773 WeakPolarHBondContact OE1-CE 3.24Å; E769-K773 IonicContact OE1-NZ 3Å; E769-K773 PolarHBondContact OE1-NZ 3.25Å; Q770-K773 PolarHBondContact O-N 3.49Å; K773-L777 WeakPolarHBondContact O-CB 3.19Å; K773-L777 PolarHBondContact O-N 2.84Å |
| 774 | C | 91.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.081 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | Q770 V771 G772 T778 Q924 L926 | Q770-C774 PolarHBondContact O-N 3.36Å; Q770-C774 VanDerWaalsContact O-N 3.12Å; V771-C774 PolarHBondContact O-N 2.69Å; G772-C774 VanDerWaalsContact C-N 3.33Å; G772-C774 PolarHBondContact O-N 3.47Å; C774-T778 WeakPolarHBondContact O-CB 3.44Å; C774-T778 PolarHBondContact O-N 3.31Å; C774-T778 PolarHBondContact O-OG1 3.47Å; C774-Q924 PolarHBondContact SG-O 3.05Å; C774-L926 HydrophobicContact CB-CD1 4.42Å; C774-L926 HydrophobicContact CB-CD2 4.14Å; C774-L926 HydrophobicContact CB-CG 4.47Å |
| 775 | L | 91.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 177.4 | -73.3 | 178.5 | 0 | 0 | 0 | 111.7 | A751 L755 V771 G772 T778 A779 L801 Y809 Q812 L926 | A751-L775 HydrophobicContact CB-CB 3.93Å; A751-L775 HydrophobicContact CB-CD1 4.47Å; L755-L775 HydrophobicContact CD1-CD1 4.17Å; L755-L775 HydrophobicContact CD2-CD1 3.98Å; L755-L775 HydrophobicContact CG-CD1 4.11Å; V771-L775 HydrophobicContact CG1-CD1 3.95Å; V771-L775 HydrophobicContact CG1-CG 4.19Å; V771-L775 WeakPolarHBondContact O-CB 3.49Å; V771-L775 WeakPolarHBondContact O-CG 3.46Å; V771-L775 PolarHBondContact O-N 2.92Å; G772-L775 PolarHBondContact O-N 3.23Å; L775-T778 PolarHBondContact O-N 3.49Å; L775-A779 VanDerWaalsContact O-CB 3.27Å; L775-A779 WeakPolarHBondContact O-CB 3.43Å; L775-A779 PolarHBondContact O-N 3.41Å; L775-L801 HydrophobicContact CB-CD2 4.4Å; L775-Y809 HydrophobicContact CD1-CD2 4.26Å; L775-Y809 HydrophobicContact CD1-CE2 4.19Å; L775-Y809 HydrophobicContact CD2-CD2 4.2Å; L775-Q812 HydrophobicContact CD2-CB 3.97Å; L775-Q812 HydrophobicContact CD2-CG 3.95Å; L775-L926 HydrophobicContact CD2-CD1 4.43Å |
| 776 | A | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G747 G772 T778 A779 L780 W797 | G747-A776 VanDerWaalsContact C-CB 3.41Å; G772-A776 VanDerWaalsContact O-CB 3.25Å; G772-A776 WeakPolarHBondContact O-CB 3.33Å; G772-A776 PolarHBondContact O-N 3.27Å; A776-T778 VanDerWaalsContact C-N 3.34Å; A776-T778 PolarHBondContact O-N 2.85Å; A776-A779 PolarHBondContact O-N 3.44Å; A776-L780 WeakPolarHBondContact O-CB 3.44Å; A776-L780 PolarHBondContact O-N 2.83Å; A776-W797 HydrophobicContact CB-CH2 4.03Å; A776-W797 HydrophobicContact CB-CZ3 4.14Å; A776-W797 WeakPolarHBondContact O-CH2 3.29Å; A776-W797 WeakPolarHBondContact O-CZ3 3.44Å |
| 777 | L | 93.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 25.1 Ų | 25.1 | 17% | 0.168 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.5 | -178.2 | 60.1 | 0 | 0 | 0 | 111.8 | Q609 L610 L744 K773 L780 I781 | Q609-L777 WeakPolarHBondContact O-CD2 3.48Å; L610-L777 HydrophobicContact CD2-CD1 3.93Å; L744-L777 HydrophobicContact CD2-CD1 4.41Å; K773-L777 WeakPolarHBondContact O-CB 3.19Å; K773-L777 PolarHBondContact O-N 2.84Å; L777-L780 PolarHBondContact O-N 2.79Å; L777-I781 HydrophobicContact CD1-CD1 3.91Å; L777-I781 HydrophobicContact CD1-CG1 4.19Å; L777-I781 HydrophobicContact CD2-CD1 4.5Å; L777-I781 HydrophobicContact CG-CD1 3.77Å; L777-I781 HydrophobicContact CG-CG1 4.48Å; L777-I781 WeakPolarHBondContact O-CD1 3.47Å; L777-I781 VanDerWaalsContact O-CG1 3.28Å; L777-I781 WeakPolarHBondContact O-CG1 3.34Å; L777-I781 PolarHBondContact O-N 3.17Å |
| 778 | T | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | C774 L775 A776 L780 I781 V782 Q812 I923 | C774-T778 WeakPolarHBondContact O-CB 3.44Å; C774-T778 PolarHBondContact O-N 3.31Å; C774-T778 PolarHBondContact O-OG1 3.47Å; L775-T778 PolarHBondContact O-N 3.49Å; A776-T778 VanDerWaalsContact C-N 3.34Å; A776-T778 PolarHBondContact O-N 2.85Å; T778-L780 VanDerWaalsContact C-N 3.32Å; T778-L780 PolarHBondContact O-N 2.8Å; T778-I781 PolarHBondContact O-N 2.79Å; T778-V782 HydrophobicContact CG2-CG2 4.17Å; T778-V782 VanDerWaalsContact O-CB 3.29Å; T778-V782 WeakPolarHBondContact O-CB 3.45Å; T778-V782 WeakPolarHBondContact O-CG2 3.21Å; T778-V782 PolarHBondContact O-N 3.31Å; T778-Q812 HydrophobicContact CG2-CG 3.85Å; T778-Q812 PolarHBondContact OG1-NE2 3.44Å; T778-I923 HydrophobicContact CG2-CD1 4.41Å; T778-I923 HydrophobicContact CG2-CG2 3.58Å; T778-I923 WeakPolarHBondContact OG1-CG2 3.28Å |
| 779 | A | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L775 A776 R783 W797 A800 L801 | L775-A779 VanDerWaalsContact O-CB 3.27Å; L775-A779 WeakPolarHBondContact O-CB 3.43Å; L775-A779 PolarHBondContact O-N 3.41Å; A776-A779 PolarHBondContact O-N 3.44Å; A779-R783 WeakPolarHBondContact O-CB 3.35Å; A779-R783 PolarHBondContact O-N 2.81Å; A779-W797 HydrophobicContact CB-CZ3 4.22Å; A779-A800 HydrophobicContact CB-CB 4.15Å; A779-A800 WeakPolarHBondContact CB-O 3.29Å; A779-L801 HydrophobicContact CB-CD2 3.63Å; A779-L801 HydrophobicContact CB-CG 4.04Å |
| 780 | L | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -53.3 | 176 | -176 | 61.2 | 0 | 0 | 0 | 112.2 | L497 L743 L744 A776 L777 T778 V782 R783 D784 F795 W797 | L497-L780 HydrophobicContact CD1-CD2 4.33Å; L497-L780 HydrophobicContact CD2-CD1 3.97Å; L497-L780 HydrophobicContact CD2-CD2 3.75Å; L497-L780 HydrophobicContact CD2-CG 4.1Å; L743-L780 HydrophobicContact CD2-CD1 4.08Å; L743-L780 HydrophobicContact CD2-CD2 4.45Å; L744-L780 HydrophobicContact CD2-CD2 3.74Å; A776-L780 WeakPolarHBondContact O-CB 3.44Å; A776-L780 PolarHBondContact O-N 2.83Å; L777-L780 PolarHBondContact O-N 2.79Å; T778-L780 VanDerWaalsContact C-N 3.32Å; T778-L780 PolarHBondContact O-N 2.8Å; L780-V782 PolarHBondContact O-N 3.43Å; L780-R783 PolarHBondContact O-N 2.79Å; L780-D784 PolarHBondContact O-N 2.96Å; L780-F795 HydrophobicContact CD1-CD2 3.98Å; L780-F795 HydrophobicContact CD1-CE1 4.32Å; L780-F795 HydrophobicContact CD1-CE2 3.39Å; L780-F795 HydrophobicContact CD1-CZ 3.59Å; L780-W797 HydrophobicContact CB-CH2 4.17Å |
| 781 | I | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 179 | -66.8 | 162.4 | 0 | 0 | 0 | 110.7 | L501 L777 T778 R783 D784 F785 I923 | L501-I781 HydrophobicContact CD1-CG1 4.27Å; L501-I781 HydrophobicContact CD2-CG1 4.02Å; L777-I781 HydrophobicContact CD1-CD1 3.91Å; L777-I781 HydrophobicContact CD1-CG1 4.19Å; L777-I781 HydrophobicContact CD2-CD1 4.5Å; L777-I781 HydrophobicContact CG-CD1 3.77Å; L777-I781 HydrophobicContact CG-CG1 4.48Å; L777-I781 WeakPolarHBondContact O-CD1 3.47Å; L777-I781 VanDerWaalsContact O-CG1 3.28Å; L777-I781 WeakPolarHBondContact O-CG1 3.34Å; L777-I781 PolarHBondContact O-N 3.17Å; T778-I781 PolarHBondContact O-N 2.79Å; I781-R783 VanDerWaalsContact C-N 3.29Å; I781-R783 PolarHBondContact O-N 3.11Å; I781-D784 PolarHBondContact O-N 2.95Å; I781-F785 HydrophobicContact CG2-CD2 3.63Å; I781-F785 HydrophobicContact CG2-CE2 3.62Å; I781-F785 HydrophobicContact CG2-CG 4.33Å; I781-F785 HydrophobicContact CG2-CZ 4.28Å; I781-F785 WeakPolarHBondContact O-CB 3.49Å; I781-F785 WeakPolarHBondContact O-CG 3.16Å; I781-F785 PolarHBondContact O-N 3.44Å; I781-I923 HydrophobicContact CB-CG1 4.38Å; I781-I923 HydrophobicContact CD1-CG1 4Å; I781-I923 HydrophobicContact CG2-CD1 4.01Å; I781-I923 HydrophobicContact CG2-CG1 4.01Å |
| 782 | V | 94.8 | Very high | 93 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.2 | -35.1 | -176.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | T778 L780 K786 L811 V871 F875 I923 | T778-V782 HydrophobicContact CG2-CG2 4.17Å; T778-V782 VanDerWaalsContact O-CB 3.29Å; T778-V782 WeakPolarHBondContact O-CB 3.45Å; T778-V782 WeakPolarHBondContact O-CG2 3.21Å; T778-V782 PolarHBondContact O-N 3.31Å; L780-V782 PolarHBondContact O-N 3.43Å; V782-K786 VanDerWaalsContact O-CB 3.26Å; V782-K786 WeakPolarHBondContact O-CB 3.39Å; V782-K786 PolarHBondContact O-N 2.86Å; V782-K786 VanDerWaalsContact O-N 3.07Å; V782-L811 HydrophobicContact CG1-CD1 4.24Å; V782-L811 HydrophobicContact CG2-CD1 3.67Å; V782-V871 HydrophobicContact CG1-CG1 4.35Å; V782-F875 HydrophobicContact CG1-CE1 3.75Å; V782-F875 HydrophobicContact CG1-CZ 3.41Å; V782-F875 VanDerWaalsContact CG1-CZ 3.41Å; V782-I923 HydrophobicContact CG2-CD1 3.72Å |
| 783 | R | 93 | Very high | 92.9 | Very high | 64 Ų | 64 | 35.9 Ų | 35.9 | 24% | 0.242 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | 175.8 | 177.1 | 56.7 | 179.3 | 150.2 | -1.2 | 111.6 | A779 L780 I781 K786 Y793 D794 F795 | A779-R783 WeakPolarHBondContact O-CB 3.35Å; A779-R783 PolarHBondContact O-N 2.81Å; L780-R783 PolarHBondContact O-N 2.79Å; I781-R783 VanDerWaalsContact C-N 3.29Å; I781-R783 PolarHBondContact O-N 3.11Å; R783-K786 PolarHBondContact O-N 3.47Å; R783-Y793 HydrophobicContact CG-CD2 4.35Å; R783-Y793 HydrophobicContact CG-CE2 3.83Å; R783-D794 PolarHBondContact NH2-O 2.86Å; R783-F795 HydrophobicContact CB-CD2 4.34Å; R783-F795 HydrophobicContact CB-CE2 4.07Å; R783-F795 HydrophobicContact CG-CD2 3.75Å; R783-F795 HydrophobicContact CG-CE2 3.95Å |
| 784 | D | 92.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 178 | -176.3 | 47.7 | 0 | 0 | 0 | 111.5 | R498 L780 I781 K786 Y793 | R498-D784 IonicContact CZ-OD1 3.62Å; R498-D784 IonicContact NE-OD1 2.77Å; R498-D784 PolarHBondContact NE-OD1 3.24Å; R498-D784 IonicContact NH2-OD1 3.23Å; R498-D784 PolarHBondContact NH2-OD1 2.67Å; L780-D784 PolarHBondContact O-N 2.96Å; I781-D784 PolarHBondContact O-N 2.95Å; D784-K786 VanDerWaalsContact C-N 3.35Å; D784-K786 PolarHBondContact O-N 3.04Å; D784-Y793 WeakPolarHBondContact CA-OH 3.45Å; D784-Y793 HydrophobicContact CB-CE1 4.41Å; D784-Y793 WeakPolarHBondContact CB-OH 3.32Å; D784-Y793 VanDerWaalsContact OD1-CE1 3.29Å; D784-Y793 WeakPolarHBondContact OD1-CE1 3.42Å; D784-Y793 PolarHBondContact OD1-OH 2.87Å |
| 785 | F | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -84.2 | -2.8 | -176.1 | -67.5 | -2.1 | 0 | 0 | 0 | 114.4 | L501 M502 F505 I781 Q787 P867 Y868 V871 L921 | L501-F785 HydrophobicContact CB-CE1 4.1Å; L501-F785 HydrophobicContact CB-CZ 4.19Å; L501-F785 WeakPolarHBondContact O-CZ 3.43Å; M502-F785 HydrophobicContact CE-CD1 4.08Å; M502-F785 HydrophobicContact CE-CE1 3.91Å; F505-F785 HydrophobicContact CB-CE2 4.09Å; F505-F785 HydrophobicContact CB-CZ 3.8Å; F505-F785 HydrophobicContact CD2-CE2 4.37Å; F505-F785 HydrophobicContact CG-CE2 4.4Å; F505-F785 HydrophobicContact CG-CZ 4.41Å; I781-F785 HydrophobicContact CG2-CD2 3.63Å; I781-F785 HydrophobicContact CG2-CE2 3.62Å; I781-F785 HydrophobicContact CG2-CG 4.33Å; I781-F785 HydrophobicContact CG2-CZ 4.28Å; I781-F785 WeakPolarHBondContact O-CB 3.49Å; I781-F785 WeakPolarHBondContact O-CG 3.16Å; I781-F785 PolarHBondContact O-N 3.44Å; F785-Q787 PolarHBondContact O-N 2.79Å; F785-P867 HydrophobicContact CB-CB 3.76Å; F785-P867 HydrophobicContact CB-CG 3.78Å; F785-P867 HydrophobicContact CD1-CB 3.99Å; F785-P867 HydrophobicContact CD1-CG 3.5Å; F785-P867 VanDerWaalsContact CD1-CG 3.5Å; F785-P867 HydrophobicContact CD2-CB 3.58Å; F785-P867 HydrophobicContact CD2-CG 4.07Å; F785-P867 HydrophobicContact CE1-CB 4.46Å; F785-P867 HydrophobicContact CE1-CG 4.04Å; F785-P867 HydrophobicContact CE2-CB 4.07Å; F785-P867 HydrophobicContact CG-CB 3.51Å; F785-P867 HydrophobicContact CG-CG 3.51Å; F785-P867 HydrophobicContact CZ-CB 4.49Å; F785-Y868 WeakPolarHBondContact O-CA 3.47Å; F785-Y868 WeakPolarHBondContact O-CB 3.41Å; F785-Y868 PolarHBondContact O-N 3.42Å; F785-V871 HydrophobicContact CB-CG2 3.7Å; F785-L921 HydrophobicContact CD2-CD2 3.8Å; F785-L921 HydrophobicContact CE2-CD2 3.97Å |
| 786 | K | 93.6 | Very high | 92.2 | Very high | 64 Ų | 64 | 37 Ų | 37 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.6 | -176.1 | 175.4 | 164.8 | -178 | 177.2 | 0 | 114 | V782 R783 D784 A806 V871 Q872 F875 | V782-K786 VanDerWaalsContact O-CB 3.26Å; V782-K786 WeakPolarHBondContact O-CB 3.39Å; V782-K786 PolarHBondContact O-N 2.86Å; V782-K786 VanDerWaalsContact O-N 3.07Å; R783-K786 PolarHBondContact O-N 3.47Å; D784-K786 VanDerWaalsContact C-N 3.35Å; D784-K786 PolarHBondContact O-N 3.04Å; K786-A806 PolarHBondContact NZ-O 3.2Å; K786-V871 HydrophobicContact CB-CG1 4.44Å; K786-Q872 PolarHBondContact O-NE2 2.79Å; K786-F875 HydrophobicContact CB-CE2 4.43Å; K786-F875 HydrophobicContact CD-CE2 3.94Å; K786-F875 HydrophobicContact CD-CZ 4.24Å; K786-F875 HydrophobicContact CG-CE2 3.94Å |
| 787 | Q | 91 | Very high | 92 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -134.6 | 170.9 | -174.4 | 59.6 | 178.7 | 52.1 | 0 | 0 | 110.5 | F785 R789 I791 | F785-Q787 PolarHBondContact O-N 2.79Å; Q787-R789 PolarHBondContact O-N 3.26Å; Q787-I791 PolarHBondContact NE2-O 2.99Å; Q787-I791 VanDerWaalsContact NE2-O 3.14Å |
| 788 | R | 94.1 | Very high | 91.5 | Very high | 146 Ų | 146 | 43.3 Ų | 43.3 | 55% | 0.551 | 20% | 0.201 | S | C | * | . | trans | -56.1 | 137.4 | 177.9 | -65.2 | -173.8 | 176.7 | -151.3 | 0.5 | 110.9 | Q790 I791 Y868 | R788-Q790 PolarHBondContact O-N 3.01Å; R788-Q790 VanDerWaalsContact O-N 3.16Å; R788-I791 HydrophobicContact CB-CD1 3.87Å; R788-I791 HydrophobicContact CB-CG1 4.06Å; R788-I791 HydrophobicContact CG-CD1 4.37Å; R788-I791 PolarHBondContact O-N 3.47Å; R788-Y868 HydrophobicContact CG-CD1 4Å; R788-Y868 HydrophobicContact CG-CE1 3.86Å | ||
| 789 | R | 94.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 50 Ų | 50 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.4 | -174.4 | 68 | -178 | 176.1 | -98.3 | -8.5 | 113.8 | R498 M502 K723 F724 G725 Q787 I791 D864 I865 E866 | R498-R789 PolarHBondContact NH1-O 2.83Å; R498-R789 PolarHBondContact NH2-O 3.05Å; M502-R789 HydrophobicContact CE-CB 3.51Å; M502-R789 HydrophobicContact SD-CB 4.18Å; K723-R789 VanDerWaalsContact O-CD 3.22Å; K723-R789 WeakPolarHBondContact O-CD 3.17Å; K723-R789 VanDerWaalsContact O-CG 3.29Å; K723-R789 WeakPolarHBondContact O-CG 3.4Å; K723-R789 PolarHBondContact O-NE 2.87Å; K723-R789 VanDerWaalsContact O-NE 3.09Å; F724-R789 CarbonylContact C-O 3.59Å; F724-R789 VanDerWaalsContact CA-O 3.31Å; F724-R789 WeakPolarHBondContact CA-O 3.28Å; F724-R789 HydrophobicContact CB-CB 4.1Å; F724-R789 HydrophobicContact CB-CG 4.4Å; F724-R789 WeakPolarHBondContact CB-O 3.4Å; G725-R789 PolarHBondContact N-O 3.41Å; Q787-R789 PolarHBondContact O-N 3.26Å; R789-I791 VanDerWaalsContact C-N 3.27Å; R789-I791 PolarHBondContact O-N 3.49Å; R789-D864 PolarHBondContact NH1-O 3.44Å; R789-D864 PolarHBondContact NH2-O 3.39Å; R789-I865 VanDerWaalsContact NH1-C 3.29Å; R789-I865 PolarHBondContact NH1-O 3.2Å; R789-E866 WeakPolarHBondContact CG-OE1 3.35Å; R789-E866 IonicContact CZ-OE1 3.87Å; R789-E866 PolarHBondContact N-OE2 2.82Å; R789-E866 VanDerWaalsContact N-OE2 3.14Å; R789-E866 IonicContact NE-OE1 2.72Å; R789-E866 IonicContact NH1-OE1 3.97Å; R789-E866 PolarHBondContact NH1-OE1 3.31Å; R789-E866 IonicContact NH1-OE2 3.99Å |
| 790 | Q | 92.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 50.1 Ų | 50.1 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12.5 | -178.3 | -69.4 | -179.3 | -21.1 | 0 | 0 | 113.9 | K723 R788 | K723-Q790 HydrophobicContact CB-CG 4.3Å; K723-Q790 WeakPolarHBondContact O-CG 2.89Å; R788-Q790 PolarHBondContact O-N 3.01Å; R788-Q790 VanDerWaalsContact O-N 3.16Å |
| 791 | I | 92.6 | Very high | 90.5 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 45% | 0.446 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -85.2 | 129.6 | -179.3 | -59.1 | 175.5 | 0 | 0 | 0 | 109.4 | R498 Q787 R788 R789 | R498-I791 PolarHBondContact NH1-O 2.94Å; Q787-I791 PolarHBondContact NE2-O 2.99Å; Q787-I791 VanDerWaalsContact NE2-O 3.14Å; R788-I791 HydrophobicContact CB-CD1 3.87Å; R788-I791 HydrophobicContact CB-CG1 4.06Å; R788-I791 HydrophobicContact CG-CD1 4.37Å; R788-I791 PolarHBondContact O-N 3.47Å; R789-I791 VanDerWaalsContact C-N 3.27Å; R789-I791 PolarHBondContact O-N 3.49Å |
| 792 | D | 91.4 | Very high | 89.9 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | trans | -67 | 147.3 | 169.8 | -72.7 | 12.3 | 0 | 0 | 0 | 111.1 | G725 K726 R728 | G725-D792 VanDerWaalsContact CA-OD1 3.23Å; G725-D792 WeakPolarHBondContact CA-OD1 3.45Å; K726-D792 PolarHBondContact N-OD1 2.6Å; K726-D792 VanDerWaalsContact O-CA 3.23Å; K726-D792 WeakPolarHBondContact O-CA 3.35Å; R728-D792 IonicContact CZ-OD2 3.17Å; R728-D792 IonicContact NE-OD2 2.64Å; R728-D792 PolarHBondContact NE-OD2 2.85Å; R728-D792 IonicContact NH2-OD2 2.87Å; R728-D792 PolarHBondContact NH2-OD2 3.24Å | ||
| 793 | Y | 89 | Confident | 88.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 154.8 | 174.5 | 70.6 | -83 | 0 | 0 | 0 | 115 | K726 I727 R728 R783 D784 F795 | K726-Y793 PolarHBondContact O-N 3.44Å; K726-Y793 VanDerWaalsContact O-N 3.11Å; I727-Y793 WeakPolarHBondContact CA-O 3.23Å; I727-Y793 HydrophobicContact CD1-CE1 4.36Å; I727-Y793 WeakPolarHBondContact CD1-OH 3.33Å; I727-Y793 HydrophobicContact CG1-CE1 3.89Å; I727-Y793 HydrophobicContact CG2-CE2 3.94Å; R728-Y793 PolarHBondContact N-O 2.67Å; R783-Y793 HydrophobicContact CG-CD2 4.35Å; R783-Y793 HydrophobicContact CG-CE2 3.83Å; D784-Y793 WeakPolarHBondContact CA-OH 3.45Å; D784-Y793 HydrophobicContact CB-CE1 4.41Å; D784-Y793 WeakPolarHBondContact CB-OH 3.32Å; D784-Y793 VanDerWaalsContact OD1-CE1 3.29Å; D784-Y793 WeakPolarHBondContact OD1-CE1 3.42Å; D784-Y793 PolarHBondContact OD1-OH 2.87Å; Y793-F795 HydrophobicContact CE2-CB 4Å; Y793-F795 HydrophobicContact CE2-CD2 4.03Å |
| 794 | D | 86.7 | Confident | 87.9 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.2 | 171.5 | -59.2 | -51.4 | 0 | 0 | 0 | 111.7 | R728 N729 R783 | R728-D794 VanDerWaalsContact CB-OD1 3.28Å; R728-D794 WeakPolarHBondContact CB-OD1 3.28Å; R728-D794 WeakPolarHBondContact O-CA 3.35Å; N729-D794 HydrophobicContact CB-CB 4.45Å; N729-D794 PolarHBondContact ND2-OD1 3.16Å; R783-D794 PolarHBondContact NH2-O 2.86Å |
| 795 | F | 86.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -98.5 | 128.2 | 176.1 | -172.9 | -91.5 | 0 | 0 | 0 | 111.3 | I727 R728 T730 L743 L780 R783 Y793 W797 A800 | I727-F795 HydrophobicContact CG2-CB 3.58Å; R728-F795 PolarHBondContact O-N 3.05Å; T730-F795 HydrophobicContact CG2-CB 4.4Å; L743-F795 HydrophobicContact CD1-CD1 4.08Å; L743-F795 HydrophobicContact CD1-CE1 3.93Å; L780-F795 HydrophobicContact CD1-CD2 3.98Å; L780-F795 HydrophobicContact CD1-CE1 4.32Å; L780-F795 HydrophobicContact CD1-CE2 3.39Å; L780-F795 HydrophobicContact CD1-CZ 3.59Å; R783-F795 HydrophobicContact CB-CD2 4.34Å; R783-F795 HydrophobicContact CB-CE2 4.07Å; R783-F795 HydrophobicContact CG-CD2 3.75Å; R783-F795 HydrophobicContact CG-CE2 3.95Å; Y793-F795 HydrophobicContact CE2-CB 4Å; Y793-F795 HydrophobicContact CE2-CD2 4.03Å; F795-W797 AromaticContact CE1-CD2 3.62Å; F795-W797 HydrophobicContact CE1-CD2 3.62Å; F795-W797 AromaticContact CE1-CE2 3.46Å; F795-W797 VanDerWaalsContact CE1-CE2 3.46Å; F795-W797 HydrophobicContact CE1-CE3 4.11Å; F795-W797 AromaticContact CE1-CG 3.97Å; F795-W797 HydrophobicContact CE1-CG 3.97Å; F795-W797 HydrophobicContact CE1-CH2 4.28Å; F795-W797 AromaticContact CE1-CZ2 3.8Å; F795-W797 HydrophobicContact CE1-CZ2 3.8Å; F795-W797 HydrophobicContact CE1-CZ3 4.43Å; F795-W797 AromaticContact CE1-NE1 3.74Å; F795-W797 AromaticContact CZ-CD2 3.81Å; F795-W797 HydrophobicContact CZ-CD2 3.81Å; F795-W797 AromaticContact CZ-CE2 3.82Å; F795-W797 AromaticContact CZ-CE3 3.8Å; F795-W797 HydrophobicContact CZ-CE3 3.8Å; F795-W797 AromaticContact CZ-CH2 3.82Å; F795-W797 HydrophobicContact CZ-CH2 3.82Å; F795-W797 AromaticContact CZ-CZ2 3.81Å; F795-W797 HydrophobicContact CZ-CZ2 3.81Å; F795-W797 AromaticContact CZ-CZ3 3.82Å; F795-W797 HydrophobicContact CZ-CZ3 3.82Å; F795-A800 HydrophobicContact CE2-CB 4.21Å; F795-A800 HydrophobicContact CZ-CB 4.24Å | ||
| 796 | C | 87.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 67 Ų | 67 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | trans | -143 | 121.7 | 178.9 | 169.1 | 0 | 0 | 0 | 0 | 108.9 | E798 K799 A800 | C796-E798 PolarHBondContact O-N 3.35Å; C796-K799 HydrophobicContact CB-CB 4.31Å; C796-K799 HydrophobicContact CB-CD 4.3Å; C796-K799 HydrophobicContact CB-CG 4.35Å; C796-K799 PolarHBondContact O-N 3.29Å; C796-A800 WeakPolarHBondContact O-CB 3.28Å; C796-A800 PolarHBondContact O-N 2.94Å | ||
| 797 | W | 88.4 | Confident | 86.8 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.038 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | -177.1 | -80.5 | 118.4 | 0 | 0 | 0 | 113 | L743 G747 T750 A776 A779 L780 F795 K799 A800 L801 | L743-W797 HydrophobicContact CD1-CZ2 4.15Å; L743-W797 HydrophobicContact CG-CZ2 4.02Å; L743-W797 WeakPolarHBondContact O-CZ2 3.41Å; L743-W797 PolarHBondContact O-NE1 2.82Å; G747-W797 VanDerWaalsContact CA-CD2 3.43Å; T750-W797 HydrophobicContact CG2-CB 4.23Å; A776-W797 HydrophobicContact CB-CH2 4.03Å; A776-W797 HydrophobicContact CB-CZ3 4.14Å; A776-W797 WeakPolarHBondContact O-CH2 3.29Å; A776-W797 WeakPolarHBondContact O-CZ3 3.44Å; A779-W797 HydrophobicContact CB-CZ3 4.22Å; L780-W797 HydrophobicContact CB-CH2 4.17Å; F795-W797 AromaticContact CE1-CD2 3.62Å; F795-W797 HydrophobicContact CE1-CD2 3.62Å; F795-W797 AromaticContact CE1-CE2 3.46Å; F795-W797 VanDerWaalsContact CE1-CE2 3.46Å; F795-W797 HydrophobicContact CE1-CE3 4.11Å; F795-W797 AromaticContact CE1-CG 3.97Å; F795-W797 HydrophobicContact CE1-CG 3.97Å; F795-W797 HydrophobicContact CE1-CH2 4.28Å; F795-W797 AromaticContact CE1-CZ2 3.8Å; F795-W797 HydrophobicContact CE1-CZ2 3.8Å; F795-W797 HydrophobicContact CE1-CZ3 4.43Å; F795-W797 AromaticContact CE1-NE1 3.74Å; F795-W797 AromaticContact CZ-CD2 3.81Å; F795-W797 HydrophobicContact CZ-CD2 3.81Å; F795-W797 AromaticContact CZ-CE2 3.82Å; F795-W797 AromaticContact CZ-CE3 3.8Å; F795-W797 HydrophobicContact CZ-CE3 3.8Å; F795-W797 AromaticContact CZ-CH2 3.82Å; F795-W797 HydrophobicContact CZ-CH2 3.82Å; F795-W797 AromaticContact CZ-CZ2 3.81Å; F795-W797 HydrophobicContact CZ-CZ2 3.81Å; F795-W797 AromaticContact CZ-CZ3 3.82Å; F795-W797 HydrophobicContact CZ-CZ3 3.82Å; W797-K799 VanDerWaalsContact C-N 3.25Å; W797-K799 PolarHBondContact O-N 3.41Å; W797-A800 HydrophobicContact CE3-CB 4.49Å; W797-A800 PolarHBondContact O-N 3.27Å; W797-A800 VanDerWaalsContact O-N 3.09Å; W797-L801 HydrophobicContact CE3-CD1 3.68Å; W797-L801 HydrophobicContact CE3-CG 4.06Å; W797-L801 HydrophobicContact CZ3-CD1 4.27Å; W797-L801 HydrophobicContact CZ3-CG 4.49Å; W797-L801 WeakPolarHBondContact O-CB 3.14Å; W797-L801 PolarHBondContact O-N 2.93Å |
| 798 | E | 83.8 | Confident | 86.7 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 72% | 0.72 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.6 | -41.1 | 178 | -64.6 | -179.9 | 175 | 0 | 0 | 111.7 | C796 Q802 | C796-E798 PolarHBondContact O-N 3.35Å; E798-Q802 WeakPolarHBondContact O-CG 3.35Å |
| 799 | K | 85.5 | Confident | 86.5 | Confident | 142 Ų | 142 | 57.1 Ų | 57.1 | 62% | 0.617 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.9 | -36.8 | 176.3 | -67.6 | -179.2 | -178.4 | 174.8 | 0 | 112.3 | C796 W797 | C796-K799 HydrophobicContact CB-CB 4.31Å; C796-K799 HydrophobicContact CB-CD 4.3Å; C796-K799 HydrophobicContact CB-CG 4.35Å; C796-K799 PolarHBondContact O-N 3.29Å; W797-K799 VanDerWaalsContact C-N 3.25Å; W797-K799 PolarHBondContact O-N 3.41Å |
| 800 | A | 86.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.7 | -29.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A779 F795 C796 W797 | A779-A800 HydrophobicContact CB-CB 4.15Å; A779-A800 WeakPolarHBondContact CB-O 3.29Å; F795-A800 HydrophobicContact CE2-CB 4.21Å; F795-A800 HydrophobicContact CZ-CB 4.24Å; C796-A800 WeakPolarHBondContact O-CB 3.28Å; C796-A800 PolarHBondContact O-N 2.94Å; W797-A800 HydrophobicContact CE3-CB 4.49Å; W797-A800 PolarHBondContact O-N 3.27Å; W797-A800 VanDerWaalsContact O-N 3.09Å |
| 801 | L | 85.7 | Confident | 86.1 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 11.1 | -176.9 | -72.1 | 166.7 | 0 | 0 | 0 | 114.4 | T750 A751 L775 A779 W797 A803 | T750-L801 HydrophobicContact CG2-CD1 3.65Å; A751-L801 HydrophobicContact CB-CD1 4.09Å; A751-L801 HydrophobicContact CB-CD2 4.15Å; L775-L801 HydrophobicContact CB-CD2 4.4Å; A779-L801 HydrophobicContact CB-CD2 3.63Å; A779-L801 HydrophobicContact CB-CG 4.04Å; W797-L801 HydrophobicContact CE3-CD1 3.68Å; W797-L801 HydrophobicContact CE3-CG 4.06Å; W797-L801 HydrophobicContact CZ3-CD1 4.27Å; W797-L801 HydrophobicContact CZ3-CG 4.49Å; W797-L801 WeakPolarHBondContact O-CB 3.14Å; W797-L801 PolarHBondContact O-N 2.93Å; L801-A803 PolarHBondContact O-N 2.65Å |
| 802 | Q | 82.2 | Confident | 86 | Confident | 104 Ų | 104 | 48 Ų | 48 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | trans | -60.7 | 135 | 176.8 | -60.9 | -172 | -23 | 0 | 0 | 111.7 | E798 K804 T807 | E798-Q802 WeakPolarHBondContact O-CG 3.35Å; Q802-K804 VanDerWaalsContact C-N 3.28Å; Q802-K804 WeakPolarHBondContact CB-O 3.28Å; Q802-K804 PolarHBondContact O-N 2.87Å; Q802-T807 HydrophobicContact CB-CG2 4.18Å; Q802-T807 PolarHBondContact O-OG1 3.46Å | ||
| 803 | A | 72.4 | Confident | 85.8 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -69.4 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L801 Y809 | L801-A803 PolarHBondContact O-N 2.65Å; A803-Y809 HydrophobicContact CB-CD1 4.01Å; A803-Y809 HydrophobicContact CB-CE1 3.69Å |
| 804 | K | 73.9 | Confident | 85.9 | Confident | 183 Ų | 183 | 46.8 Ų | 46.8 | 80% | 0.796 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -109 | 145.4 | 176.7 | -66.5 | -179.2 | -178.1 | 174.4 | 0 | 109.6 | Q802 | Q802-K804 VanDerWaalsContact C-N 3.28Å; Q802-K804 WeakPolarHBondContact CB-O 3.28Å; Q802-K804 PolarHBondContact O-N 2.87Å |
| 805 | G | 77.4 | Confident | 86.1 | Confident | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 94.4 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T807 Q810 | G805-T807 VanDerWaalsContact C-N 3.3Å; G805-T807 PolarHBondContact O-N 3.31Å; G805-Q810 VanDerWaalsContact C-OE1 3.31Å; G805-Q810 WeakPolarHBondContact O-CB 3.33Å; G805-Q810 VanDerWaalsContact O-CD 3.31Å; G805-Q810 PolarHBondContact O-OE1 3Å |
| 806 | A | 87.6 | Confident | 86.2 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -72.8 | 77.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | K786 F875 | K786-A806 PolarHBondContact NZ-O 3.2Å; A806-F875 VanDerWaalsContact C-CZ 3.44Å; A806-F875 HydrophobicContact CB-CB 4.24Å; A806-F875 HydrophobicContact CB-CD1 3.77Å; A806-F875 HydrophobicContact CB-CD2 3.62Å; A806-F875 HydrophobicContact CB-CE1 3.92Å; A806-F875 HydrophobicContact CB-CE2 3.75Å; A806-F875 HydrophobicContact CB-CG 3.62Å; A806-F875 HydrophobicContact CB-CZ 3.89Å; A806-F875 VanDerWaalsContact O-CZ 3.26Å; A806-F875 WeakPolarHBondContact O-CZ 3.19Å |
| 807 | T | 92.3 | Very high | 86.3 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -128.1 | 162.9 | -176.4 | 67.7 | 0 | 0 | 0 | 0 | 112 | Q802 G805 Y809 Q810 L811 | Q802-T807 HydrophobicContact CB-CG2 4.18Å; Q802-T807 PolarHBondContact O-OG1 3.46Å; G805-T807 VanDerWaalsContact C-N 3.3Å; G805-T807 PolarHBondContact O-N 3.31Å; T807-Y809 PolarHBondContact O-N 3.3Å; T807-Q810 PolarHBondContact O-N 3.33Å; T807-Q810 PolarHBondContact OG1-N 3.34Å; T807-L811 PolarHBondContact O-N 2.92Å |
| 808 | G | 90.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q810 L811 Q812 | G808-Q810 PolarHBondContact O-N 3.39Å; G808-L811 PolarHBondContact O-N 3.22Å; G808-Q812 PolarHBondContact O-N 3.08Å; G808-Q812 VanDerWaalsContact O-N 3.15Å |
| 809 | Y | 89.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 40 Ų | 40 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.9 | -174.3 | -79.4 | 0 | 0 | 0 | 111.5 | V754 L775 A803 T807 L811 Q812 A813 | V754-Y809 HydrophobicContact CG1-CD2 4.33Å; V754-Y809 HydrophobicContact CG1-CE2 3.73Å; L775-Y809 HydrophobicContact CD1-CD2 4.26Å; L775-Y809 HydrophobicContact CD1-CE2 4.19Å; L775-Y809 HydrophobicContact CD2-CD2 4.2Å; A803-Y809 HydrophobicContact CB-CD1 4.01Å; A803-Y809 HydrophobicContact CB-CE1 3.69Å; T807-Y809 PolarHBondContact O-N 3.3Å; Y809-L811 VanDerWaalsContact C-N 3.3Å; Y809-L811 PolarHBondContact O-N 3.03Å; Y809-Q812 PolarHBondContact O-N 3.3Å; Y809-A813 HydrophobicContact CD1-CB 4.41Å; Y809-A813 HydrophobicContact CE1-CB 4.25Å; Y809-A813 WeakPolarHBondContact O-CB 3.33Å; Y809-A813 PolarHBondContact O-N 3.49Å |
| 810 | Q | 87.8 | Confident | 87 | Confident | 31 Ų | 31 | 36 Ų | 36 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 178.8 | -167.9 | -169.9 | 22.1 | 0 | 0 | 112.1 | G805 T807 G808 T814 | G805-Q810 VanDerWaalsContact C-OE1 3.31Å; G805-Q810 WeakPolarHBondContact O-CB 3.33Å; G805-Q810 VanDerWaalsContact O-CD 3.31Å; G805-Q810 PolarHBondContact O-OE1 3Å; T807-Q810 PolarHBondContact O-N 3.33Å; T807-Q810 PolarHBondContact OG1-N 3.34Å; G808-Q810 PolarHBondContact O-N 3.39Å; Q810-T814 WeakPolarHBondContact O-CB 3.34Å; Q810-T814 PolarHBondContact O-N 2.97Å; Q810-T814 PolarHBondContact O-OG1 3.31Å |
| 811 | L | 91.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 174.9 | -62.5 | -174.9 | 0 | 0 | 0 | 110.5 | V782 T807 G808 Y809 A813 T814 H815 L874 F875 C878 Q912 | V782-L811 HydrophobicContact CG1-CD1 4.24Å; V782-L811 HydrophobicContact CG2-CD1 3.67Å; T807-L811 PolarHBondContact O-N 2.92Å; G808-L811 PolarHBondContact O-N 3.22Å; Y809-L811 VanDerWaalsContact C-N 3.3Å; Y809-L811 PolarHBondContact O-N 3.03Å; L811-A813 PolarHBondContact O-N 3.5Å; L811-T814 PolarHBondContact O-N 3.04Å; L811-H815 PolarHBondContact O-N 3.19Å; L811-L874 HydrophobicContact CD1-CD1 4.3Å; L811-L874 HydrophobicContact CD2-CB 3.94Å; L811-F875 HydrophobicContact CD1-CE1 4.41Å; L811-F875 HydrophobicContact CD2-CD1 3.95Å; L811-F875 HydrophobicContact CD2-CE1 4.24Å; L811-F875 HydrophobicContact CG-CD1 4.43Å; L811-F875 HydrophobicContact CG-CE1 4.22Å; L811-C878 HydrophobicContact CD2-CB 4.41Å; L811-C878 WeakPolarHBondContact CD2-SG 3.38Å; L811-Q912 PolarHBondContact O-NE2 3.48Å |
| 812 | Q | 90.5 | Very high | 87.5 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 178.7 | -68.8 | -75.7 | 8.1 | 0 | 0 | 111.8 | L775 T778 G808 Y809 T814 H815 A816 Q924 | L775-Q812 HydrophobicContact CD2-CB 3.97Å; L775-Q812 HydrophobicContact CD2-CG 3.95Å; T778-Q812 HydrophobicContact CG2-CG 3.85Å; T778-Q812 PolarHBondContact OG1-NE2 3.44Å; G808-Q812 PolarHBondContact O-N 3.08Å; G808-Q812 VanDerWaalsContact O-N 3.15Å; Y809-Q812 PolarHBondContact O-N 3.3Å; Q812-T814 VanDerWaalsContact C-N 3.34Å; Q812-T814 PolarHBondContact O-N 3.16Å; Q812-H815 PolarHBondContact O-N 3.07Å; Q812-A816 WeakPolarHBondContact O-CB 3.44Å; Q812-A816 PolarHBondContact O-N 3.27Å; Q812-Q924 PolarHBondContact NE2-O 3.37Å |
| 813 | A | 87.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 26% | 0.256 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y809 L811 R817 | Y809-A813 HydrophobicContact CD1-CB 4.41Å; Y809-A813 HydrophobicContact CE1-CB 4.25Å; Y809-A813 WeakPolarHBondContact O-CB 3.33Å; Y809-A813 PolarHBondContact O-N 3.49Å; L811-A813 PolarHBondContact O-N 3.5Å; A813-R817 WeakPolarHBondContact O-CB 3.46Å; A813-R817 PolarHBondContact O-N 2.96Å; A813-R817 VanDerWaalsContact O-N 3.12Å |
| 814 | T | 90.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | Q810 L811 Q812 R817 L818 C878 N882 | Q810-T814 WeakPolarHBondContact O-CB 3.34Å; Q810-T814 PolarHBondContact O-N 2.97Å; Q810-T814 PolarHBondContact O-OG1 3.31Å; L811-T814 PolarHBondContact O-N 3.04Å; Q812-T814 VanDerWaalsContact C-N 3.34Å; Q812-T814 PolarHBondContact O-N 3.16Å; T814-R817 PolarHBondContact O-N 3.43Å; T814-L818 HydrophobicContact CG2-CD1 4.13Å; T814-L818 HydrophobicContact CG2-CG 4.36Å; T814-L818 WeakPolarHBondContact O-CG 3.24Å; T814-L818 PolarHBondContact O-N 3.42Å; T814-C878 HydrophobicContact CG2-CB 4.06Å; T814-N882 PolarHBondContact OG1-ND2 3.43Å |
| 815 | H | 91.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.4 | -177.7 | 63.5 | 0 | 0 | 0 | 112.5 | L811 Q812 R817 L818 T819 F913 M925 L926 | L811-H815 PolarHBondContact O-N 3.19Å; Q812-H815 PolarHBondContact O-N 3.07Å; H815-R817 VanDerWaalsContact C-N 3.3Å; H815-R817 PolarHBondContact O-N 3.05Å; H815-L818 PolarHBondContact O-N 3.07Å; H815-T819 PolarHBondContact CE1-OG1 3.33Å; H815-T819 PolarHBondContact NE2-OG1 2.92Å; H815-T819 VanDerWaalsContact O-CB 3.31Å; H815-T819 WeakPolarHBondContact O-CB 3.5Å; H815-T819 PolarHBondContact O-N 2.72Å; H815-T819 PolarHBondContact O-OG1 2.9Å; H815-F913 AromaticContact CE1-CD2 3.72Å; H815-F913 AromaticContact NE2-CD2 3.91Å; H815-M925 HydrophobicContact CB-CE 3.22Å; H815-L926 PolarHBondContact CD2-O 2.85Å |
| 816 | A | 88.3 | Confident | 90.5 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 33% | 0.331 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.8 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q812 T819 S820 | Q812-A816 WeakPolarHBondContact O-CB 3.44Å; Q812-A816 PolarHBondContact O-N 3.27Å; A816-T819 PolarHBondContact O-N 2.76Å; A816-S820 WeakPolarHBondContact O-CB 3.18Å; A816-S820 PolarHBondContact O-N 2.97Å |
| 817 | R | 89 | Confident | 90.7 | Very high | 107 Ų | 107 | 36.2 Ų | 36.2 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64 | -48.4 | 176.3 | -177.2 | 177.3 | -68 | 119.6 | 7.7 | 112.4 | A813 T814 H815 T819 S820 L821 N882 H885 | A813-R817 WeakPolarHBondContact O-CB 3.46Å; A813-R817 PolarHBondContact O-N 2.96Å; A813-R817 VanDerWaalsContact O-N 3.12Å; T814-R817 PolarHBondContact O-N 3.43Å; H815-R817 VanDerWaalsContact C-N 3.3Å; H815-R817 PolarHBondContact O-N 3.05Å; R817-T819 VanDerWaalsContact C-N 3.34Å; R817-S820 PolarHBondContact O-N 3.43Å; R817-L821 WeakPolarHBondContact O-CB 3.24Å; R817-L821 PolarHBondContact O-N 2.9Å; R817-N882 PolarHBondContact NH1-OD1 3.11Å; R817-H885 VanDerWaalsContact CD-CD2 3.47Å; R817-H885 WeakPolarHBondContact CD-CD2 3.45Å |
| 818 | L | 92.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 178 | -70.4 | 178 | 0 | 0 | 0 | 111.9 | T814 H815 L821 C822 F905 A908 R909 | T814-L818 HydrophobicContact CG2-CD1 4.13Å; T814-L818 HydrophobicContact CG2-CG 4.36Å; T814-L818 WeakPolarHBondContact O-CG 3.24Å; T814-L818 PolarHBondContact O-N 3.42Å; H815-L818 PolarHBondContact O-N 3.07Å; L818-L821 PolarHBondContact O-N 2.99Å; L818-C822 WeakPolarHBondContact O-CB 3.15Å; L818-C822 PolarHBondContact O-N 2.67Å; L818-C822 PolarHBondContact O-SG 2.87Å; L818-F905 HydrophobicContact CD2-CB 4.3Å; L818-F905 HydrophobicContact CD2-CD1 3.67Å; L818-F905 HydrophobicContact CD2-CE1 4.48Å; L818-F905 HydrophobicContact CD2-CG 4.37Å; L818-A908 HydrophobicContact CD1-CB 4.27Å; L818-R909 HydrophobicContact CB-CB 4.03Å; L818-R909 HydrophobicContact CB-CG 4.14Å; L818-R909 HydrophobicContact CD1-CB 4.39Å |
| 819 | T | 90.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -48.8 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | H815 A816 R817 L821 C822 E823 R909 C927 | H815-T819 PolarHBondContact CE1-OG1 3.33Å; H815-T819 PolarHBondContact NE2-OG1 2.92Å; H815-T819 VanDerWaalsContact O-CB 3.31Å; H815-T819 WeakPolarHBondContact O-CB 3.5Å; H815-T819 PolarHBondContact O-N 2.72Å; H815-T819 PolarHBondContact O-OG1 2.9Å; A816-T819 PolarHBondContact O-N 2.76Å; R817-T819 VanDerWaalsContact C-N 3.34Å; T819-L821 VanDerWaalsContact C-N 3.27Å; T819-L821 PolarHBondContact O-N 3.5Å; T819-C822 PolarHBondContact O-N 3.36Å; T819-E823 HydrophobicContact CG2-CG 4.27Å; T819-E823 WeakPolarHBondContact O-CB 3.41Å; T819-E823 WeakPolarHBondContact O-CG 3.32Å; T819-E823 PolarHBondContact O-N 2.64Å; T819-R909 WeakPolarHBondContact OG1-CD 3.5Å; T819-C927 HydrophobicContact CG2-CB 3.99Å |
| 820 | S | 89.2 | Confident | 90.5 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 41% | 0.413 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.8 | -38.2 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | A816 R817 K824 | A816-S820 WeakPolarHBondContact O-CB 3.18Å; A816-S820 PolarHBondContact O-N 2.97Å; R817-S820 PolarHBondContact O-N 3.43Å; S820-K824 WeakPolarHBondContact O-CB 3.08Å; S820-K824 PolarHBondContact O-N 2.81Å; S820-K824 VanDerWaalsContact O-N 3.13Å |
| 821 | L | 91.3 | Very high | 90.4 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 174.9 | -177.6 | 71.3 | 0 | 0 | 0 | 111.8 | R817 L818 T819 E823 K824 F825 I890 F905 | R817-L821 WeakPolarHBondContact O-CB 3.24Å; R817-L821 PolarHBondContact O-N 2.9Å; L818-L821 PolarHBondContact O-N 2.99Å; T819-L821 VanDerWaalsContact C-N 3.27Å; T819-L821 PolarHBondContact O-N 3.5Å; L821-E823 VanDerWaalsContact C-N 3.34Å; L821-E823 PolarHBondContact O-N 2.89Å; L821-K824 PolarHBondContact O-N 2.88Å; L821-F825 HydrophobicContact CD1-CD2 3.83Å; L821-F825 HydrophobicContact CD1-CE2 3.73Å; L821-F825 HydrophobicContact CG-CD2 4.41Å; L821-F825 WeakPolarHBondContact O-CD2 3.37Å; L821-F825 PolarHBondContact O-N 2.84Å; L821-I890 HydrophobicContact CD1-CD1 4.01Å; L821-I890 HydrophobicContact CD2-CD1 4.1Å; L821-I890 HydrophobicContact CG-CD1 4.05Å; L821-F905 HydrophobicContact CD2-CB 3.81Å; L821-F905 HydrophobicContact CD2-CD1 4.05Å; L821-F905 HydrophobicContact CD2-CD2 3.51Å; L821-F905 HydrophobicContact CD2-CE2 4.05Å; L821-F905 HydrophobicContact CD2-CG 3.52Å |
| 822 | C | 91.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | -178.6 | -63.7 | 0 | 0 | 0 | 0 | 112 | L818 T819 F825 A826 Y902 S906 | L818-C822 WeakPolarHBondContact O-CB 3.15Å; L818-C822 PolarHBondContact O-N 2.67Å; L818-C822 PolarHBondContact O-SG 2.87Å; T819-C822 PolarHBondContact O-N 3.36Å; C822-F825 CarbonylContact O-C 3.5Å; C822-F825 PolarHBondContact O-N 3.49Å; C822-A826 WeakPolarHBondContact O-CA 3.5Å; C822-A826 PolarHBondContact O-N 3.44Å; C822-Y902 HydrophobicContact CB-CE2 4.28Å; C822-S906 VanDerWaalsContact SG-CA 3.57Å |
| 823 | E | 90.7 | Very high | 89.1 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.8 | -74.4 | 174.4 | 168 | 0 | 0 | 111.5 | T819 L821 F825 A826 | T819-E823 HydrophobicContact CG2-CG 4.27Å; T819-E823 WeakPolarHBondContact O-CB 3.41Å; T819-E823 WeakPolarHBondContact O-CG 3.32Å; T819-E823 PolarHBondContact O-N 2.64Å; L821-E823 VanDerWaalsContact C-N 3.34Å; L821-E823 PolarHBondContact O-N 2.89Å; E823-F825 VanDerWaalsContact C-N 3.25Å; E823-F825 PolarHBondContact O-N 2.86Å; E823-A826 WeakPolarHBondContact O-CB 3.48Å; E823-A826 PolarHBondContact O-N 3.48Å |
| 824 | K | 92.6 | Very high | 88.3 | Confident | 148 Ų | 148 | 49.9 Ų | 49.9 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 178.7 | -178.4 | 175.8 | 176.8 | -179.5 | 0 | 112.6 | S820 L821 | S820-K824 WeakPolarHBondContact O-CB 3.08Å; S820-K824 PolarHBondContact O-N 2.81Å; S820-K824 VanDerWaalsContact O-N 3.13Å; L821-K824 PolarHBondContact O-N 2.88Å |
| 825 | F | 94.2 | Very high | 86.9 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 19.4 | -176.5 | -63.9 | -74.7 | 0 | 0 | 0 | 113.2 | L821 C822 E823 P827 L828 I890 A891 Y902 | L821-F825 HydrophobicContact CD1-CD2 3.83Å; L821-F825 HydrophobicContact CD1-CE2 3.73Å; L821-F825 HydrophobicContact CG-CD2 4.41Å; L821-F825 WeakPolarHBondContact O-CD2 3.37Å; L821-F825 PolarHBondContact O-N 2.84Å; C822-F825 CarbonylContact O-C 3.5Å; C822-F825 PolarHBondContact O-N 3.49Å; E823-F825 VanDerWaalsContact C-N 3.25Å; E823-F825 PolarHBondContact O-N 2.86Å; F825-P827 VanDerWaalsContact C-N 3.27Å; F825-L828 HydrophobicContact CB-CD1 4.09Å; F825-L828 HydrophobicContact CD1-CD1 4.32Å; F825-L828 WeakPolarHBondContact O-CB 3.35Å; F825-L828 PolarHBondContact O-N 3.19Å; F825-I890 HydrophobicContact CB-CG2 4.24Å; F825-I890 HydrophobicContact CD1-CB 4.16Å; F825-I890 HydrophobicContact CD1-CG2 3.46Å; F825-I890 VanDerWaalsContact CD1-CG2 3.46Å; F825-I890 HydrophobicContact CD2-CB 3.91Å; F825-I890 HydrophobicContact CD2-CD1 3.82Å; F825-I890 HydrophobicContact CD2-CG1 4.42Å; F825-I890 HydrophobicContact CD2-CG2 3.93Å; F825-I890 HydrophobicContact CE1-CB 4Å; F825-I890 HydrophobicContact CE1-CG2 3.67Å; F825-I890 HydrophobicContact CE2-CB 3.75Å; F825-I890 HydrophobicContact CE2-CD1 4.32Å; F825-I890 HydrophobicContact CE2-CG1 4.49Å; F825-I890 HydrophobicContact CE2-CG2 4.13Å; F825-I890 HydrophobicContact CG-CB 4.12Å; F825-I890 HydrophobicContact CG-CD1 4.23Å; F825-I890 HydrophobicContact CG-CG2 3.6Å; F825-I890 HydrophobicContact CZ-CB 3.79Å; F825-I890 HydrophobicContact CZ-CG2 4Å; F825-A891 HydrophobicContact CE1-CB 4.35Å; F825-A891 HydrophobicContact CZ-CB 3.95Å; F825-Y902 HydrophobicContact CB-CD2 3.81Å; F825-Y902 HydrophobicContact CB-CE2 4.31Å; F825-Y902 WeakPolarHBondContact O-CE2 3.46Å |
| 826 | A | 92 | Very high | 85.7 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -52.9 | -33.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C822 E823 L828 E829 | C822-A826 WeakPolarHBondContact O-CA 3.5Å; C822-A826 PolarHBondContact O-N 3.44Å; E823-A826 WeakPolarHBondContact O-CB 3.48Å; E823-A826 PolarHBondContact O-N 3.48Å; A826-L828 PolarHBondContact O-N 2.99Å; A826-L828 VanDerWaalsContact O-N 3.15Å; A826-E829 WeakPolarHBondContact O-CB 2.98Å; A826-E829 PolarHBondContact O-N 2.7Å |
| 827 | P | 93 | Very high | 84.9 | Confident | 107 Ų | 107 | 56 Ų | 56 | 70% | 0.695 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -58.6 | -24.1 | 174.9 | -27.8 | 37.1 | 0 | 0 | 0 | 114.9 | F825 E829 | F825-P827 VanDerWaalsContact C-N 3.27Å; P827-E829 PolarHBondContact O-N 2.94Å |
| 828 | L | 91.4 | Very high | 84.2 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -70.7 | -14.1 | 176.6 | -60.9 | -179 | 0 | 0 | 0 | 113 | F825 A826 A830 N831 I890 A898 V899 Y902 | F825-L828 HydrophobicContact CB-CD1 4.09Å; F825-L828 HydrophobicContact CD1-CD1 4.32Å; F825-L828 WeakPolarHBondContact O-CB 3.35Å; F825-L828 PolarHBondContact O-N 3.19Å; A826-L828 PolarHBondContact O-N 2.99Å; A826-L828 VanDerWaalsContact O-N 3.15Å; L828-A830 PolarHBondContact O-N 2.79Å; L828-N831 PolarHBondContact O-N 2.64Å; L828-N831 VanDerWaalsContact O-N 3.09Å; L828-I890 HydrophobicContact CD1-CG2 3.7Å; L828-A898 HydrophobicContact CD1-CB 3.93Å; L828-V899 HydrophobicContact CB-CG2 4.39Å; L828-V899 HydrophobicContact CD2-CG2 4.19Å; L828-Y902 HydrophobicContact CB-CD1 4.02Å; L828-Y902 HydrophobicContact CB-CG 4.02Å; L828-Y902 HydrophobicContact CD1-CG 4.44Å |
| 829 | E | 89.5 | Confident | 83.7 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -54.1 | -39 | 179 | -178.1 | 66.1 | -152.4 | 0 | 0 | 113.2 | R454 K458 A826 P827 N831 V832 Y902 | R454-E829 IonicContact CZ-OE1 3.86Å; R454-E829 IonicContact CZ-OE2 3.5Å; R454-E829 IonicContact NH1-OE1 2.71Å; R454-E829 IonicContact NH2-OE1 2.7Å; R454-E829 PolarHBondContact NH2-OE1 2.81Å; R454-E829 IonicContact NH2-OE2 3.67Å; R454-E829 PolarHBondContact NH2-OE2 2.93Å; K458-E829 IonicContact NZ-OE1 2.86Å; K458-E829 PolarHBondContact NZ-OE1 2.89Å; A826-E829 WeakPolarHBondContact O-CB 2.98Å; A826-E829 PolarHBondContact O-N 2.7Å; P827-E829 PolarHBondContact O-N 2.94Å; E829-N831 PolarHBondContact O-N 3.2Å; E829-V832 PolarHBondContact O-N 2.82Å; E829-Y902 HydrophobicContact CB-CE1 4.05Å; E829-Y902 WeakPolarHBondContact OE2-CE1 3.45Å; E829-Y902 PolarHBondContact OE2-OH 3.14Å |
| 830 | A | 86.7 | Confident | 83.2 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -65.5 | -22 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L828 | L828-A830 PolarHBondContact O-N 2.79Š|
| 831 | N | 84.6 | Confident | 83.1 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 33% | 0.326 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -96.8 | -3.3 | -178.8 | -61.5 | -27.5 | 0 | 0 | 0 | 112.8 | L828 E829 G833 S834 V899 | L828-N831 PolarHBondContact O-N 2.64Å; L828-N831 VanDerWaalsContact O-N 3.09Å; E829-N831 PolarHBondContact O-N 3.2Å; N831-G833 PolarHBondContact O-N 3.41Å; N831-S834 WeakPolarHBondContact CA-OG 3.41Å; N831-S834 PolarHBondContact O-N 3.43Å; N831-S834 PolarHBondContact O-OG 3.24Å; N831-V899 HydrophobicContact CB-CG1 4.14Å; N831-V899 HydrophobicContact CB-CG2 3.62Å; N831-V899 WeakPolarHBondContact O-CG1 3.49Å |
| 832 | V | 82 | Confident | 82.9 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 113.2 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | R454 E829 V899 Y902 A903 | R454-V832 VanDerWaalsContact CZ-CG1 3.49Å; E829-V832 PolarHBondContact O-N 2.82Å; V832-V899 HydrophobicContact CG2-CG1 4.14Å; V832-Y902 HydrophobicContact CG2-CD1 3.78Å; V832-Y902 HydrophobicContact CG2-CE1 3.98Å; V832-A903 HydrophobicContact CG1-CB 3.83Å; V832-A903 HydrophobicContact CG2-CB 4.18Å |
| 833 | G | 72.5 | Confident | 82.9 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | -12.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | N831 | N831-G833 PolarHBondContact O-N 3.41Š|
| 834 | S | 70.3 | Confident | 82.9 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10.8 | 173.6 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | N831 | N831-S834 WeakPolarHBondContact CA-OG 3.41Å; N831-S834 PolarHBondContact O-N 3.43Å; N831-S834 PolarHBondContact O-OG 3.24Å |
| 835 | M | 63 | Low | 82.6 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -129 | 146.8 | -178.7 | -54.5 | -172.7 | 93.7 | 0 | 0 | 110.9 | L837 E896 | M835-L837 PolarHBondContact O-N 3.44Å; M835-E896 HydrophobicContact CE-CG 3.39Å; M835-E896 HydrophobicContact SD-CG 4.18Å |
| 836 | P | 64.9 | Low | 82.4 | Confident | 103 Ų | 103 | 55.1 Ų | 55.1 | 67% | 0.669 | 34% | 0.344 | S | S | * | . | trans | -61.7 | 131.5 | 172.3 | 24 | -30.9 | 0 | 0 | 0 | 110.8 | K838 | P836-K838 PolarHBondContact O-N 2.88Š| ||
| 837 | L | 71.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | trans | -82.2 | 95.9 | -179.1 | -61.6 | 173.8 | 0 | 0 | 0 | 110 | F443 A447 L450 I451 M835 L839 A900 A903 | F443-L837 VanDerWaalsContact CE1-O 3.29Å; F443-L837 WeakPolarHBondContact CE1-O 3.37Å; F443-L837 VanDerWaalsContact CZ-O 3.25Å; F443-L837 WeakPolarHBondContact CZ-O 3.28Å; A447-L837 HydrophobicContact CB-CB 4.31Å; A447-L837 HydrophobicContact CB-CD1 4.4Å; L450-L837 HydrophobicContact CD2-CD1 4.33Å; I451-L837 HydrophobicContact CD1-CD1 3.73Å; I451-L837 HydrophobicContact CD1-CG 4.4Å; I451-L837 HydrophobicContact CG1-CD1 3.67Å; M835-L837 PolarHBondContact O-N 3.44Å; L837-L839 HydrophobicContact CB-CD1 4.44Å; L837-L839 PolarHBondContact O-N 3.36Å; L837-A900 HydrophobicContact CB-CB 4.27Å; L837-A900 HydrophobicContact CD2-CB 3.95Å; L837-A903 HydrophobicContact CD2-CB 4Å | ||
| 838 | K | 75.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 48.1 Ų | 48.1 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | trans | -81.6 | 109.3 | 170.6 | -169 | 174.2 | 179.4 | 176.8 | 0 | 110.3 | P836 D840 | P836-K838 PolarHBondContact O-N 2.88Å; K838-D840 WeakPolarHBondContact CE-OD2 3.39Å; K838-D840 IonicContact NZ-OD2 3.21Å | ||
| 839 | L | 80.8 | Confident | 82 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -137.5 | 54.9 | -176.4 | -71.7 | 170.5 | 0 | 0 | 0 | 109.8 | F443 L450 L837 E841 A844 V845 M848 A900 R901 L904 | F443-L839 HydrophobicContact CE2-CB 3.99Å; F443-L839 VanDerWaalsContact CE2-O 3.23Å; F443-L839 WeakPolarHBondContact CE2-O 3.34Å; F443-L839 HydrophobicContact CZ-CB 3.88Å; L450-L839 HydrophobicContact CD2-CD1 4.21Å; L837-L839 HydrophobicContact CB-CD1 4.44Å; L837-L839 PolarHBondContact O-N 3.36Å; L839-E841 VanDerWaalsContact C-N 3.3Å; L839-A844 HydrophobicContact CB-CB 4Å; L839-A844 HydrophobicContact CD2-CB 3.92Å; L839-V845 VanDerWaalsContact O-CG2 3.31Å; L839-V845 WeakPolarHBondContact O-CG2 3.43Å; L839-M848 HydrophobicContact CB-CE 3.43Å; L839-M848 VanDerWaalsContact CB-CE 3.43Å; L839-M848 HydrophobicContact CD1-CE 3.26Å; L839-M848 HydrophobicContact CG-CE 3.95Å; L839-A900 HydrophobicContact CD1-CB 4.37Å; L839-A900 HydrophobicContact CD2-CB 3.85Å; L839-A900 HydrophobicContact CG-CB 3.87Å; L839-R901 HydrophobicContact CD2-CG 4.34Å; L839-L904 HydrophobicContact CD1-CB 4.24Å; L839-L904 HydrophobicContact CD2-CD2 4.33Å | ||
| 840 | D | 79.9 | Confident | 82.1 | Confident | 94 Ų | 94 | 46.4 Ų | 46.4 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | trans | -81.2 | -8.7 | -178 | 54.2 | 0.1 | 0 | 0 | 0 | 113.2 | K838 | K838-D840 WeakPolarHBondContact CE-OD2 3.39Å; K838-D840 IonicContact NZ-OD2 3.21Å | ||
| 841 | E | 87.5 | Confident | 82.4 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -69.9 | 138.9 | -179.4 | -50.3 | 98.9 | 136.9 | 0 | 0 | 111.6 | L839 E843 A844 V845 L888 Q897 R901 | L839-E841 VanDerWaalsContact C-N 3.3Å; E841-E843 VanDerWaalsContact C-N 3.29Å; E841-E843 PolarHBondContact O-N 2.79Å; E841-E843 VanDerWaalsContact O-N 3.12Å; E841-A844 HydrophobicContact CB-CB 4.15Å; E841-A844 WeakPolarHBondContact O-CA 3.42Å; E841-A844 VanDerWaalsContact O-CB 3.27Å; E841-A844 WeakPolarHBondContact O-CB 3.35Å; E841-A844 PolarHBondContact O-N 3.15Å; E841-V845 PolarHBondContact O-N 3.17Å; E841-L888 HydrophobicContact CB-CD2 3.73Å; E841-L888 HydrophobicContact CG-CD2 3.97Å; E841-Q897 PolarHBondContact OE1-NE2 2.99Å; E841-R901 IonicContact OE1-CZ 3.52Å; E841-R901 VanDerWaalsContact OE1-CZ 3.22Å; E841-R901 IonicContact OE1-NE 3.91Å; E841-R901 PolarHBondContact OE1-NE 3.43Å; E841-R901 IonicContact OE1-NH2 3.66Å; E841-R901 PolarHBondContact OE1-NH2 2.96Å |
| 842 | P | 86.8 | Confident | 82.4 | Confident | 98 Ų | 98 | 41 Ų | 41 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -55 | -37.7 | -175.2 | -28.2 | 35 | 0 | 0 | 0 | 114.9 | A846 | P842-A846 VanDerWaalsContact O-CB 3.27Å; P842-A846 WeakPolarHBondContact O-CB 3.1Å; P842-A846 PolarHBondContact O-N 3.2Å |
| 843 | E | 92.3 | Very high | 82.7 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.2 | -31.3 | 175.5 | -67.1 | 71.9 | -161.6 | 0 | 0 | 113 | E841 L847 R883 A884 R887 L888 | E841-E843 VanDerWaalsContact C-N 3.29Å; E841-E843 PolarHBondContact O-N 2.79Å; E841-E843 VanDerWaalsContact O-N 3.12Å; E843-L847 WeakPolarHBondContact O-CB 3.19Å; E843-L847 PolarHBondContact O-N 2.82Å; E843-L847 VanDerWaalsContact O-N 3.13Å; E843-R883 HydrophobicContact CG-CG 4.05Å; E843-A884 HydrophobicContact CB-CB 4.19Å; E843-R887 VanDerWaalsContact CD-CD 3.41Å; E843-R887 HydrophobicContact CG-CB 4.37Å; E843-R887 WeakPolarHBondContact OE1-CD 3.45Å; E843-R887 IonicContact OE1-CZ 2.86Å; E843-R887 IonicContact OE1-NE 3.52Å; E843-R887 IonicContact OE1-NH1 3.69Å; E843-R887 PolarHBondContact OE1-NH1 3.49Å; E843-L888 HydrophobicContact CB-CD1 4.3Å; E843-L888 HydrophobicContact CB-CD2 4.48Å; E843-L888 HydrophobicContact CB-CG 4.36Å |
| 844 | A | 90.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -49.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L839 E841 A846 L847 M848 L888 L904 | L839-A844 HydrophobicContact CB-CB 4Å; L839-A844 HydrophobicContact CD2-CB 3.92Å; E841-A844 HydrophobicContact CB-CB 4.15Å; E841-A844 WeakPolarHBondContact O-CA 3.42Å; E841-A844 VanDerWaalsContact O-CB 3.27Å; E841-A844 WeakPolarHBondContact O-CB 3.35Å; E841-A844 PolarHBondContact O-N 3.15Å; A844-A846 PolarHBondContact O-N 3.28Å; A844-L847 PolarHBondContact O-N 3.43Å; A844-M848 VanDerWaalsContact O-CB 3.3Å; A844-M848 WeakPolarHBondContact O-CB 3.39Å; A844-M848 PolarHBondContact O-N 3.13Å; A844-L888 HydrophobicContact CB-CD1 3.78Å; A844-L904 HydrophobicContact CB-CD2 3.93Å |
| 845 | V | 86.5 | Confident | 84.5 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 22% | 0.218 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.8 | -51.5 | 174.9 | 178 | 0 | 0 | 0 | 0 | 110.5 | L839 E841 L847 M848 E849 | L839-V845 VanDerWaalsContact O-CG2 3.31Å; L839-V845 WeakPolarHBondContact O-CG2 3.43Å; E841-V845 PolarHBondContact O-N 3.17Å; V845-L847 VanDerWaalsContact C-N 3.32Å; V845-L847 PolarHBondContact O-N 3.18Å; V845-M848 PolarHBondContact O-N 3.02Å; V845-M848 VanDerWaalsContact O-N 3.15Å; V845-E849 HydrophobicContact CG1-CG 4.21Å; V845-E849 WeakPolarHBondContact CG1-OE1 3.12Å; V845-E849 WeakPolarHBondContact O-CB 3.38Å; V845-E849 WeakPolarHBondContact O-CG 3.3Å; V845-E849 PolarHBondContact O-N 2.91Å |
| 846 | A | 88.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -36.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P842 A844 H850 L880 | P842-A846 VanDerWaalsContact O-CB 3.27Å; P842-A846 WeakPolarHBondContact O-CB 3.1Å; P842-A846 PolarHBondContact O-N 3.2Å; A844-A846 PolarHBondContact O-N 3.28Å; A846-H850 PolarHBondContact O-N 3.35Å; A846-L880 HydrophobicContact CB-CD2 4.11Å; A846-L880 WeakPolarHBondContact O-CD1 3.12Å |
| 847 | L | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.7 | -40.2 | 175.9 | 179.4 | 56 | 0 | 0 | 0 | 111.6 | E843 A844 V845 H850 L851 L877 L880 A884 L904 F905 A908 | E843-L847 WeakPolarHBondContact O-CB 3.19Å; E843-L847 PolarHBondContact O-N 2.82Å; E843-L847 VanDerWaalsContact O-N 3.13Å; A844-L847 PolarHBondContact O-N 3.43Å; V845-L847 VanDerWaalsContact C-N 3.32Å; V845-L847 PolarHBondContact O-N 3.18Å; L847-H850 PolarHBondContact O-N 3.41Å; L847-L851 HydrophobicContact CD1-CD1 4.39Å; L847-L851 HydrophobicContact CD1-CG 4.45Å; L847-L851 HydrophobicContact CG-CD1 4.2Å; L847-L851 WeakPolarHBondContact O-CG 3.19Å; L847-L851 PolarHBondContact O-N 2.81Å; L847-L877 HydrophobicContact CD1-CD1 3.66Å; L847-L880 HydrophobicContact CB-CB 4.47Å; L847-L880 HydrophobicContact CD1-CB 3.94Å; L847-A884 HydrophobicContact CD2-CB 3.91Å; L847-L904 HydrophobicContact CB-CD1 4.32Å; L847-L904 HydrophobicContact CB-CD2 4.31Å; L847-L904 HydrophobicContact CD2-CD1 4.23Å; L847-L904 HydrophobicContact CD2-CD2 3.93Å; L847-L904 HydrophobicContact CD2-CG 3.81Å; L847-L904 HydrophobicContact CG-CD1 3.99Å; L847-L904 HydrophobicContact CG-CD2 4.35Å; L847-L904 HydrophobicContact CG-CG 4.15Å; L847-F905 HydrophobicContact CD2-CE1 4.45Å; L847-A908 HydrophobicContact CD1-CB 4.36Å; L847-A908 HydrophobicContact CD2-CB 4.37Å |
| 848 | M | 89.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 177.2 | -170.7 | -171.3 | -52.9 | 0 | 0 | 111.7 | F443 C446 L450 L839 A844 V845 H850 L851 S852 L904 | F443-M848 HydrophobicContact CE2-CE 3.98Å; F443-M848 HydrophobicContact CE2-SD 4.5Å; F443-M848 HydrophobicContact CZ-CE 4.42Å; C446-M848 HydrophobicContact CB-CG 4.06Å; C446-M848 HydrophobicContact CB-SD 3.4Å; C446-M848 WeakPolarHBondContact CB-SD 3.3Å; L450-M848 HydrophobicContact CD1-CG 4.46Å; L839-M848 HydrophobicContact CB-CE 3.43Å; L839-M848 VanDerWaalsContact CB-CE 3.43Å; L839-M848 HydrophobicContact CD1-CE 3.26Å; L839-M848 HydrophobicContact CG-CE 3.95Å; A844-M848 VanDerWaalsContact O-CB 3.3Å; A844-M848 WeakPolarHBondContact O-CB 3.39Å; A844-M848 PolarHBondContact O-N 3.13Å; V845-M848 PolarHBondContact O-N 3.02Å; V845-M848 VanDerWaalsContact O-N 3.15Å; M848-H850 VanDerWaalsContact C-N 3.25Å; M848-H850 PolarHBondContact O-N 3.46Å; M848-L851 WeakPolarHBondContact O-CB 3.44Å; M848-L851 PolarHBondContact O-N 2.81Å; M848-L851 VanDerWaalsContact O-N 3.08Å; M848-S852 PolarHBondContact O-N 3.37Å; M848-L904 HydrophobicContact CB-CD1 4.07Å |
| 849 | E | 85.1 | Confident | 88.6 | Confident | 35 Ų | 35 | 36 Ų | 36 | 16% | 0.164 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -34.8 | 175 | -72.6 | -178.9 | -167.5 | 0 | 0 | 112.7 | F437 V845 S852 R853 | F437-E849 HydrophobicContact CD1-CG 4.1Å; F437-E849 HydrophobicContact CD2-CG 3.49Å; F437-E849 VanDerWaalsContact CD2-CG 3.49Å; F437-E849 WeakPolarHBondContact CD2-OE1 3.45Å; F437-E849 HydrophobicContact CE1-CG 4.18Å; F437-E849 HydrophobicContact CE2-CB 4.35Å; F437-E849 VanDerWaalsContact CE2-CD 3.45Å; F437-E849 HydrophobicContact CE2-CG 3.56Å; F437-E849 HydrophobicContact CG-CG 3.75Å; F437-E849 HydrophobicContact CZ-CB 4.47Å; F437-E849 HydrophobicContact CZ-CG 3.92Å; V845-E849 HydrophobicContact CG1-CG 4.21Å; V845-E849 WeakPolarHBondContact CG1-OE1 3.12Å; V845-E849 WeakPolarHBondContact O-CB 3.38Å; V845-E849 WeakPolarHBondContact O-CG 3.3Å; V845-E849 PolarHBondContact O-N 2.91Å; E849-S852 PolarHBondContact O-OG 2.94Å; E849-S852 VanDerWaalsContact O-OG 3.05Å; E849-R853 WeakPolarHBondContact O-CG 3.37Å; E849-R853 IonicContact OE2-NH1 2.99Å |
| 850 | H | 91.9 | Very high | 89 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 10% | 0.097 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72 | -38.9 | 175.6 | -169.9 | 71.5 | 0 | 0 | 0 | 111 | A846 L847 M848 R853 Y873 R876 L877 L880 | A846-H850 PolarHBondContact O-N 3.35Å; L847-H850 PolarHBondContact O-N 3.41Å; M848-H850 VanDerWaalsContact C-N 3.25Å; M848-H850 PolarHBondContact O-N 3.46Å; H850-R853 PolarHBondContact O-N 3.26Å; H850-Y873 AromaticContact CD2-CE2 3.73Å; H850-Y873 AromaticContact CE1-CD2 3.55Å; H850-Y873 AromaticContact CE1-CE2 3.83Å; H850-Y873 AromaticContact NE2-CD2 3.29Å; H850-Y873 VanDerWaalsContact NE2-CD2 3.29Å; H850-Y873 WeakPolarHBondContact NE2-CD2 3.48Å; H850-Y873 AromaticContact NE2-CE2 3.34Å; H850-Y873 VanDerWaalsContact NE2-CE2 3.34Å; H850-Y873 WeakPolarHBondContact NE2-CE2 3.36Å; H850-Y873 AromaticContact NE2-CG 3.82Å; H850-Y873 AromaticContact NE2-CZ 3.89Å; H850-Y873 PolarHBondContact NE2-O 3.27Å; H850-Y873 VanDerWaalsContact O-CE2 3.27Å; H850-Y873 WeakPolarHBondContact O-CE2 3.41Å; H850-R876 VanDerWaalsContact CE1-CB 3.48Å; H850-R876 WeakPolarHBondContact CE1-CB 3.45Å; H850-R876 WeakPolarHBondContact CE1-CG 3.39Å; H850-R876 WeakPolarHBondContact ND1-CG 3.37Å; H850-L877 PolarHBondContact NE2-N 3.36Å; H850-L880 HydrophobicContact CB-CD1 3.39Å |
| 851 | L | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -41 | 177.4 | -74.4 | 166.6 | 0 | 0 | 0 | 112.9 | L450 L453 L847 M848 R853 I854 L877 L904 T907 A908 A911 | L450-L851 HydrophobicContact CD1-CB 4.35Å; L450-L851 HydrophobicContact CD1-CD1 3.71Å; L453-L851 HydrophobicContact CD2-CB 4.15Å; L453-L851 VanDerWaalsContact CD2-O 3.26Å; L453-L851 WeakPolarHBondContact CD2-O 3.4Å; L847-L851 HydrophobicContact CD1-CD1 4.39Å; L847-L851 HydrophobicContact CD1-CG 4.45Å; L847-L851 HydrophobicContact CG-CD1 4.2Å; L847-L851 WeakPolarHBondContact O-CG 3.19Å; L847-L851 PolarHBondContact O-N 2.81Å; M848-L851 WeakPolarHBondContact O-CB 3.44Å; M848-L851 PolarHBondContact O-N 2.81Å; M848-L851 VanDerWaalsContact O-N 3.08Å; L851-R853 PolarHBondContact O-N 3.05Å; L851-I854 WeakPolarHBondContact O-CB 3.49Å; L851-I854 VanDerWaalsContact O-CG2 3.29Å; L851-I854 WeakPolarHBondContact O-CG2 3.38Å; L851-I854 PolarHBondContact O-N 3.2Å; L851-L877 HydrophobicContact CD2-CD1 3.73Å; L851-L877 HydrophobicContact CG-CD1 4.24Å; L851-L904 HydrophobicContact CD1-CD1 3.92Å; L851-T907 HydrophobicContact CD1-CG2 4.27Å; L851-A908 HydrophobicContact CD1-CB 4.29Å; L851-A908 HydrophobicContact CD2-CB 4.4Å; L851-A911 HydrophobicContact CD2-CB 3.76Å |
| 852 | S | 85.5 | Confident | 90 | Very high | 37 Ų | 37 | 37 Ų | 37 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -25 | 178.6 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | E449 M848 E849 I854 | E449-S852 WeakPolarHBondContact OE2-CB 3.23Å; M848-S852 PolarHBondContact O-N 3.37Å; E849-S852 PolarHBondContact O-OG 2.94Å; E849-S852 VanDerWaalsContact O-OG 3.05Å; S852-I854 VanDerWaalsContact C-N 3.29Å; S852-I854 PolarHBondContact O-N 2.92Å |
| 853 | R | 87.4 | Confident | 90.2 | Very high | 113 Ų | 113 | 35.8 Ų | 35.8 | 43% | 0.426 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.8 | 178.9 | -67.5 | 177 | -177.8 | 124.2 | -1.3 | 114.9 | E849 H850 L851 A855 N856 P857 | E849-R853 WeakPolarHBondContact O-CG 3.37Å; E849-R853 IonicContact OE2-NH1 2.99Å; H850-R853 PolarHBondContact O-N 3.26Å; L851-R853 PolarHBondContact O-N 3.05Å; R853-A855 PolarHBondContact O-N 3.12Å; R853-N856 PolarHBondContact O-N 2.97Å; R853-P857 WeakPolarHBondContact O-CD 3.27Å |
| 854 | I | 91.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.5 | -175.2 | -168.9 | 172 | 0 | 0 | 0 | 114.7 | L453 L457 V469 L851 S852 N856 P857 L858 Y873 A911 I915 | L453-I854 HydrophobicContact CD1-CG2 3.59Å; L453-I854 HydrophobicContact CD2-CG2 3.87Å; L453-I854 HydrophobicContact CG-CG2 4.4Å; L457-I854 HydrophobicContact CD2-CD1 4.22Å; V469-I854 HydrophobicContact CG1-CG2 3.75Å; L851-I854 WeakPolarHBondContact O-CB 3.49Å; L851-I854 VanDerWaalsContact O-CG2 3.29Å; L851-I854 WeakPolarHBondContact O-CG2 3.38Å; L851-I854 PolarHBondContact O-N 3.2Å; S852-I854 VanDerWaalsContact C-N 3.29Å; S852-I854 PolarHBondContact O-N 2.92Å; I854-N856 VanDerWaalsContact C-N 3.35Å; I854-N856 PolarHBondContact O-N 2.78Å; I854-P857 VanDerWaalsContact O-CD 3.26Å; I854-P857 WeakPolarHBondContact O-CD 3.36Å; I854-P857 WeakPolarHBondContact O-CG 3.12Å; I854-L858 HydrophobicContact CG1-CD1 4.06Å; I854-L858 WeakPolarHBondContact O-CG 3.43Å; I854-Y873 HydrophobicContact CB-CE1 4.48Å; I854-Y873 HydrophobicContact CB-CE2 4.11Å; I854-Y873 WeakPolarHBondContact CB-OH 3.36Å; I854-Y873 HydrophobicContact CD1-CE1 4.33Å; I854-Y873 HydrophobicContact CG1-CE1 4.02Å; I854-Y873 HydrophobicContact CG1-CE2 4.46Å; I854-A911 HydrophobicContact CD1-CB 3.87Å; I854-I915 HydrophobicContact CD1-CD1 4.17Å; I854-I915 HydrophobicContact CG1-CD1 4.28Å |
| 855 | A | 88.6 | Confident | 90.5 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V469 R853 L858 L859 | V469-A855 HydrophobicContact CG1-CB 4.23Å; R853-A855 PolarHBondContact O-N 3.12Å; A855-L858 PolarHBondContact O-N 2.77Å; A855-L859 WeakPolarHBondContact O-CB 3.28Å; A855-L859 PolarHBondContact O-N 2.98Å |
| 856 | N | 87 | Confident | 90.9 | Very high | 111 Ų | 111 | 36.4 Ų | 36.4 | 59% | 0.594 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.3 | -53.7 | -176.9 | -65.3 | -3.3 | 0 | 0 | 0 | 113.8 | R853 I854 L858 L859 K860 | R853-N856 PolarHBondContact O-N 2.97Å; I854-N856 VanDerWaalsContact C-N 3.35Å; I854-N856 PolarHBondContact O-N 2.78Å; N856-L858 VanDerWaalsContact C-N 3.3Å; N856-L858 PolarHBondContact O-N 3.04Å; N856-L859 PolarHBondContact O-N 3.14Å; N856-K860 WeakPolarHBondContact O-CB 3.3Å; N856-K860 PolarHBondContact O-N 2.82Å |
| 857 | P | 92.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.104 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -30.1 | 177.8 | 27.3 | -35.2 | 0 | 0 | 0 | 112.6 | R853 I854 A861 P869 V870 Y873 | R853-P857 WeakPolarHBondContact O-CD 3.27Å; I854-P857 VanDerWaalsContact O-CD 3.26Å; I854-P857 WeakPolarHBondContact O-CD 3.36Å; I854-P857 WeakPolarHBondContact O-CG 3.12Å; P857-A861 WeakPolarHBondContact O-CB 3.42Å; P857-A861 PolarHBondContact O-N 3.04Å; P857-P869 HydrophobicContact CB-CB 4.03Å; P857-P869 WeakPolarHBondContact CB-O 3.34Å; P857-V870 HydrophobicContact CB-CG1 4.15Å; P857-V870 WeakPolarHBondContact O-CG1 3.5Å; P857-Y873 HydrophobicContact CG-CD2 3.72Å; P857-Y873 HydrophobicContact CG-CE2 4.48Å; P857-Y873 HydrophobicContact CG-CG 3.78Å |
| 858 | L | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 174.4 | -73.1 | 176.2 | 0 | 0 | 0 | 111.6 | V466 V469 I854 A855 N856 K860 A861 Y862 V870 I915 L920 | V466-L858 HydrophobicContact CG2-CB 4.33Å; V466-L858 HydrophobicContact CG2-CD2 4.2Å; V469-L858 HydrophobicContact CB-CD1 3.93Å; V469-L858 HydrophobicContact CG1-CD1 3.7Å; V469-L858 HydrophobicContact CG2-CD1 4.39Å; I854-L858 HydrophobicContact CG1-CD1 4.06Å; I854-L858 WeakPolarHBondContact O-CG 3.43Å; A855-L858 PolarHBondContact O-N 2.77Å; N856-L858 VanDerWaalsContact C-N 3.3Å; N856-L858 PolarHBondContact O-N 3.04Å; L858-K860 VanDerWaalsContact C-N 3.31Å; L858-K860 PolarHBondContact O-N 2.92Å; L858-A861 WeakPolarHBondContact O-CB 3.35Å; L858-A861 PolarHBondContact O-N 3.46Å; L858-Y862 WeakPolarHBondContact O-CB 3.46Å; L858-Y862 PolarHBondContact O-N 3.03Å; L858-V870 HydrophobicContact CD2-CG1 3.99Å; L858-I915 HydrophobicContact CD2-CG1 4.42Å; L858-L920 HydrophobicContact CD2-CD2 3.75Å |
| 859 | L | 89.7 | Confident | 91.6 | Very high | 74 Ų | 74 | 38 Ų | 38 | 39% | 0.387 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63 | -39.9 | 176.9 | -172.8 | 67 | 0 | 0 | 0 | 111.2 | C470 L472 A855 N856 Y862 S863 | C470-L859 HydrophobicContact CB-CD1 4.43Å; L472-L859 HydrophobicContact CD2-CD1 3.9Å; A855-L859 WeakPolarHBondContact O-CB 3.28Å; A855-L859 PolarHBondContact O-N 2.98Å; N856-L859 PolarHBondContact O-N 3.14Å; L859-Y862 HydrophobicContact CD1-CD1 4.26Å; L859-Y862 PolarHBondContact O-N 3.22Å; L859-S863 WeakPolarHBondContact O-CB 3.49Å; L859-S863 PolarHBondContact O-N 3.35Å; L859-S863 PolarHBondContact O-OG 2.87Å |
| 860 | K | 89 | Confident | 92.2 | Very high | 90 Ų | 90 | 36.4 Ų | 36.4 | 39% | 0.391 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67 | -40.4 | 175.4 | -165.7 | 54.2 | 164.5 | 162.1 | 0 | 112.2 | N856 L858 Y862 S863 D864 P869 | N856-K860 WeakPolarHBondContact O-CB 3.3Å; N856-K860 PolarHBondContact O-N 2.82Å; L858-K860 VanDerWaalsContact C-N 3.31Å; L858-K860 PolarHBondContact O-N 2.92Å; K860-Y862 VanDerWaalsContact C-N 3.32Å; K860-Y862 PolarHBondContact O-N 3.35Å; K860-S863 WeakPolarHBondContact CA-OG 3.36Å; K860-S863 PolarHBondContact O-OG 3.47Å; K860-D864 WeakPolarHBondContact CD-OD2 3.22Å; K860-D864 WeakPolarHBondContact CE-OD2 3.43Å; K860-D864 IonicContact NZ-OD1 2.92Å; K860-D864 PolarHBondContact NZ-OD1 3.5Å; K860-D864 IonicContact NZ-OD2 3.65Å; K860-D864 PolarHBondContact NZ-OD2 3.39Å; K860-D864 WeakPolarHBondContact O-CB 3.48Å; K860-D864 PolarHBondContact O-N 3.41Å; K860-D864 VanDerWaalsContact O-N 3.12Å; K860-P869 HydrophobicContact CB-CB 4.2Å; K860-P869 HydrophobicContact CB-CG 4.15Å; K860-P869 HydrophobicContact CG-CB 4.32Å; K860-P869 HydrophobicContact CG-CG 3.83Å |
| 861 | A | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F505 V509 P857 L858 I865 E866 V870 | F505-A861 HydrophobicContact CZ-CB 3.97Å; V509-A861 HydrophobicContact CG2-CB 4.32Å; P857-A861 WeakPolarHBondContact O-CB 3.42Å; P857-A861 PolarHBondContact O-N 3.04Å; L858-A861 WeakPolarHBondContact O-CB 3.35Å; L858-A861 PolarHBondContact O-N 3.46Å; A861-I865 WeakPolarHBondContact O-CA 3.26Å; A861-I865 PolarHBondContact O-N 3.42Å; A861-E866 WeakPolarHBondContact CA-O 3.49Å; A861-E866 VanDerWaalsContact CB-O 3.28Å; A861-E866 WeakPolarHBondContact CB-O 3.47Å; A861-E866 PolarHBondContact O-N 3.41Å; A861-V870 HydrophobicContact CB-CG1 3.79Å |
| 862 | Y | 94 | Very high | 92.5 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.3 | -54 | 176.6 | 163.3 | -112.2 | 0 | 0 | 0 | 112.7 | V466 L472 L510 A513 H515 L858 L859 K860 D864 I865 | V466-Y862 HydrophobicContact CG1-CG 4.24Å; L472-Y862 HydrophobicContact CD1-CD1 4.23Å; L472-Y862 HydrophobicContact CD1-CE1 4.01Å; L510-Y862 HydrophobicContact CD2-CD2 4.17Å; L510-Y862 HydrophobicContact CD2-CE2 3.99Å; A513-Y862 HydrophobicContact CB-CD2 3.5Å; A513-Y862 VanDerWaalsContact CB-CD2 3.5Å; A513-Y862 HydrophobicContact CB-CE2 3.38Å; A513-Y862 HydrophobicContact CB-CG 4.2Å; H515-Y862 AromaticContact CD2-CE2 3.91Å; H515-Y862 AromaticContact NE2-CE2 3.51Å; H515-Y862 AromaticContact NE2-CZ 3.55Å; H515-Y862 PolarHBondContact NE2-OH 3.47Å; L858-Y862 WeakPolarHBondContact O-CB 3.46Å; L858-Y862 PolarHBondContact O-N 3.03Å; L859-Y862 HydrophobicContact CD1-CD1 4.26Å; L859-Y862 PolarHBondContact O-N 3.22Å; K860-Y862 VanDerWaalsContact C-N 3.32Å; K860-Y862 PolarHBondContact O-N 3.35Å; Y862-D864 PolarHBondContact O-N 3.01Å; Y862-I865 PolarHBondContact O-N 2.9Å |
| 863 | S | 90.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 38.5 Ų | 38.5 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62 | -41.1 | -175.8 | 47.4 | 0 | 0 | 0 | 0 | 113 | L859 K860 | L859-S863 WeakPolarHBondContact O-CB 3.49Å; L859-S863 PolarHBondContact O-N 3.35Å; L859-S863 PolarHBondContact O-OG 2.87Å; K860-S863 WeakPolarHBondContact CA-OG 3.36Å; K860-S863 PolarHBondContact O-OG 3.47Å |
| 864 | D | 92.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 31% | 0.31 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -98.1 | -9.5 | -176.8 | -65.4 | -0 | 0 | 0 | 0 | 113.7 | R789 K860 Y862 E866 | R789-D864 PolarHBondContact NH1-O 3.44Å; R789-D864 PolarHBondContact NH2-O 3.39Å; K860-D864 WeakPolarHBondContact CD-OD2 3.22Å; K860-D864 WeakPolarHBondContact CE-OD2 3.43Å; K860-D864 IonicContact NZ-OD1 2.92Å; K860-D864 PolarHBondContact NZ-OD1 3.5Å; K860-D864 IonicContact NZ-OD2 3.65Å; K860-D864 PolarHBondContact NZ-OD2 3.39Å; K860-D864 WeakPolarHBondContact O-CB 3.48Å; K860-D864 PolarHBondContact O-N 3.41Å; K860-D864 VanDerWaalsContact O-N 3.12Å; Y862-D864 PolarHBondContact O-N 3.01Å; D864-E866 VanDerWaalsContact C-N 3.28Å; D864-E866 HydrophobicContact CB-CB 4.15Å; D864-E866 HydrophobicContact CB-CG 3.85Å; D864-E866 PolarHBondContact O-N 2.86Å |
| 865 | I | 96.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 46.9 | -166.5 | -49.5 | 179.8 | 0 | 0 | 0 | 110.4 | F505 A506 L510 Y689 V722 R789 A861 Y862 | F505-I865 HydrophobicContact CE1-CG2 4.46Å; A506-I865 HydrophobicContact CB-CG2 3.41Å; A506-I865 VanDerWaalsContact CB-CG2 3.41Å; L510-I865 HydrophobicContact CD1-CD1 4.23Å; L510-I865 HydrophobicContact CD2-CD1 4.49Å; Y689-I865 HydrophobicContact CD1-CD1 3.57Å; Y689-I865 HydrophobicContact CE1-CD1 3.49Å; Y689-I865 VanDerWaalsContact CE1-CD1 3.49Å; Y689-I865 HydrophobicContact CE2-CD1 4.48Å; Y689-I865 HydrophobicContact CG-CD1 4.13Å; V722-I865 HydrophobicContact CG1-CG2 4.13Å; V722-I865 HydrophobicContact CG2-CD1 4.13Å; R789-I865 VanDerWaalsContact NH1-C 3.29Å; R789-I865 PolarHBondContact NH1-O 3.2Å; A861-I865 WeakPolarHBondContact O-CA 3.26Å; A861-I865 PolarHBondContact O-N 3.42Å; Y862-I865 PolarHBondContact O-N 2.9Å |
| 866 | E | 95.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | trans | -114 | 125.6 | 178.9 | -81.8 | -66.4 | -177.6 | 0 | 0 | 111.7 | F505 R789 A861 D864 Y868 P869 | F505-E866 VanDerWaalsContact CE1-C 3.49Å; F505-E866 WeakPolarHBondContact CZ-O 3.48Å; R789-E866 WeakPolarHBondContact CG-OE1 3.35Å; R789-E866 IonicContact CZ-OE1 3.87Å; R789-E866 PolarHBondContact N-OE2 2.82Å; R789-E866 VanDerWaalsContact N-OE2 3.14Å; R789-E866 IonicContact NE-OE1 2.72Å; R789-E866 IonicContact NH1-OE1 3.97Å; R789-E866 PolarHBondContact NH1-OE1 3.31Å; R789-E866 IonicContact NH1-OE2 3.99Å; A861-E866 WeakPolarHBondContact CA-O 3.49Å; A861-E866 VanDerWaalsContact CB-O 3.28Å; A861-E866 WeakPolarHBondContact CB-O 3.47Å; A861-E866 PolarHBondContact O-N 3.41Å; D864-E866 VanDerWaalsContact C-N 3.28Å; D864-E866 HydrophobicContact CB-CB 4.15Å; D864-E866 HydrophobicContact CB-CG 3.85Å; D864-E866 PolarHBondContact O-N 2.86Å; E866-Y868 HydrophobicContact CB-CD1 3.96Å; E866-Y868 HydrophobicContact CB-CE1 4.09Å; E866-Y868 HydrophobicContact CG-CD1 4.15Å; E866-Y868 HydrophobicContact CG-CE1 4.05Å; E866-P869 HydrophobicContact CB-CG 4.36Å; E866-P869 VanDerWaalsContact O-CD 3.27Å; E866-P869 WeakPolarHBondContact O-CD 3.42Å | ||
| 867 | P | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -84.1 | -18.2 | 177.8 | 32.8 | -36 | 0 | 0 | 0 | 113.8 | M502 F505 F785 P869 V870 V871 L921 | M502-P867 HydrophobicContact CE-CG 3.75Å; M502-P867 HydrophobicContact SD-CG 3.99Å; F505-P867 HydrophobicContact CD1-CB 4.02Å; F505-P867 HydrophobicContact CD1-CG 4.34Å; F505-P867 HydrophobicContact CD2-CB 3.91Å; F505-P867 HydrophobicContact CE1-CB 3.87Å; F505-P867 HydrophobicContact CE1-CG 4.34Å; F505-P867 HydrophobicContact CE2-CB 3.72Å; F505-P867 HydrophobicContact CG-CB 4.04Å; F505-P867 VanDerWaalsContact CZ-CA 3.4Å; F505-P867 HydrophobicContact CZ-CB 3.7Å; F785-P867 HydrophobicContact CB-CB 3.76Å; F785-P867 HydrophobicContact CB-CG 3.78Å; F785-P867 HydrophobicContact CD1-CB 3.99Å; F785-P867 HydrophobicContact CD1-CG 3.5Å; F785-P867 VanDerWaalsContact CD1-CG 3.5Å; F785-P867 HydrophobicContact CD2-CB 3.58Å; F785-P867 HydrophobicContact CD2-CG 4.07Å; F785-P867 HydrophobicContact CE1-CB 4.46Å; F785-P867 HydrophobicContact CE1-CG 4.04Å; F785-P867 HydrophobicContact CE2-CB 4.07Å; F785-P867 HydrophobicContact CG-CB 3.51Å; F785-P867 HydrophobicContact CG-CG 3.51Å; F785-P867 HydrophobicContact CZ-CB 4.49Å; P867-P869 VanDerWaalsContact C-CD 3.41Å; P867-V870 WeakPolarHBondContact O-CG2 3.41Å; P867-V870 PolarHBondContact O-N 3.03Å; P867-V871 WeakPolarHBondContact O-CG2 3.37Å; P867-V871 PolarHBondContact O-N 2.86Å; P867-V871 VanDerWaalsContact O-N 3.16Å; P867-L921 HydrophobicContact CB-CD2 4.5Å |
| 868 | Y | 95.6 | Very high | 94.6 | Very high | 54 Ų | 54 | 32.5 Ų | 32.5 | 21% | 0.212 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | -175.2 | 91.1 | -90.2 | 0 | 0 | 0 | 115.7 | F785 R788 E866 V870 V871 Q872 | F785-Y868 WeakPolarHBondContact O-CA 3.47Å; F785-Y868 WeakPolarHBondContact O-CB 3.41Å; F785-Y868 PolarHBondContact O-N 3.42Å; R788-Y868 HydrophobicContact CG-CD1 4Å; R788-Y868 HydrophobicContact CG-CE1 3.86Å; E866-Y868 HydrophobicContact CB-CD1 3.96Å; E866-Y868 HydrophobicContact CB-CE1 4.09Å; E866-Y868 HydrophobicContact CG-CD1 4.15Å; E866-Y868 HydrophobicContact CG-CE1 4.05Å; Y868-V870 VanDerWaalsContact C-N 3.31Å; Y868-V870 PolarHBondContact O-N 2.77Å; Y868-V871 PolarHBondContact O-N 3.27Å; Y868-Q872 HydrophobicContact CD2-CG 4.23Å; Y868-Q872 VanDerWaalsContact O-CG 3.3Å; Y868-Q872 WeakPolarHBondContact O-CG 3.29Å; Y868-Q872 PolarHBondContact O-N 3.39Å |
| 869 | P | 95.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 35 Ų | 35 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 179.8 | -21.9 | 35.3 | 0 | 0 | 0 | 111.5 | P857 K860 E866 P867 Y873 | P857-P869 HydrophobicContact CB-CB 4.03Å; P857-P869 WeakPolarHBondContact CB-O 3.34Å; K860-P869 HydrophobicContact CB-CB 4.2Å; K860-P869 HydrophobicContact CB-CG 4.15Å; K860-P869 HydrophobicContact CG-CB 4.32Å; K860-P869 HydrophobicContact CG-CG 3.83Å; E866-P869 HydrophobicContact CB-CG 4.36Å; E866-P869 VanDerWaalsContact O-CD 3.27Å; E866-P869 WeakPolarHBondContact O-CD 3.42Å; P867-P869 VanDerWaalsContact C-CD 3.41Å; P869-Y873 WeakPolarHBondContact O-CB 3.39Å; P869-Y873 PolarHBondContact O-N 3.05Å |
| 870 | V | 96 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.5 | -34.4 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | F505 P857 L858 A861 P867 Y868 Y873 L874 I915 L920 L921 | F505-V870 HydrophobicContact CE2-CG2 4.44Å; P857-V870 HydrophobicContact CB-CG1 4.15Å; P857-V870 WeakPolarHBondContact O-CG1 3.5Å; L858-V870 HydrophobicContact CD2-CG1 3.99Å; A861-V870 HydrophobicContact CB-CG1 3.79Å; P867-V870 WeakPolarHBondContact O-CG2 3.41Å; P867-V870 PolarHBondContact O-N 3.03Å; Y868-V870 VanDerWaalsContact C-N 3.31Å; Y868-V870 PolarHBondContact O-N 2.77Å; V870-Y873 WeakPolarHBondContact O-CB 3.46Å; V870-Y873 PolarHBondContact O-N 2.99Å; V870-L874 WeakPolarHBondContact O-CB 3.5Å; V870-L874 VanDerWaalsContact O-CG 3.26Å; V870-L874 WeakPolarHBondContact O-CG 3.43Å; V870-L874 PolarHBondContact O-N 2.88Å; V870-I915 HydrophobicContact CB-CG2 4.06Å; V870-I915 HydrophobicContact CG2-CG2 4.45Å; V870-L920 HydrophobicContact CB-CD2 4.41Å; V870-L920 HydrophobicContact CG1-CD2 3.95Å; V870-L920 HydrophobicContact CG2-CD2 4.11Å; V870-L921 HydrophobicContact CG2-CD2 3.94Å |
| 871 | V | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.1 | -42.5 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | V782 F785 K786 P867 Y868 Y873 L874 F875 L921 | V782-V871 HydrophobicContact CG1-CG1 4.35Å; F785-V871 HydrophobicContact CB-CG2 3.7Å; K786-V871 HydrophobicContact CB-CG1 4.44Å; P867-V871 WeakPolarHBondContact O-CG2 3.37Å; P867-V871 PolarHBondContact O-N 2.86Å; P867-V871 VanDerWaalsContact O-N 3.16Å; Y868-V871 PolarHBondContact O-N 3.27Å; V871-Y873 VanDerWaalsContact C-N 3.35Å; V871-L874 WeakPolarHBondContact O-CB 3.34Å; V871-L874 PolarHBondContact O-N 3.15Å; V871-F875 HydrophobicContact CG1-CD2 3.93Å; V871-F875 HydrophobicContact CG1-CE1 4.45Å; V871-F875 HydrophobicContact CG1-CE2 3.31Å; V871-F875 HydrophobicContact CG1-CZ 3.62Å; V871-F875 VanDerWaalsContact O-CD2 3.32Å; V871-F875 WeakPolarHBondContact O-CD2 3.49Å; V871-F875 WeakPolarHBondContact O-CG 3.2Å; V871-F875 PolarHBondContact O-N 2.7Å; V871-L921 HydrophobicContact CG2-CD1 4Å |
| 872 | Q | 95.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 28.6 Ų | 28.6 | 42% | 0.416 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.1 | -67.5 | -61.6 | -23.9 | 0 | 0 | 111.7 | K786 Y868 L874 F875 R876 | K786-Q872 PolarHBondContact O-NE2 2.79Å; Y868-Q872 HydrophobicContact CD2-CG 4.23Å; Y868-Q872 VanDerWaalsContact O-CG 3.3Å; Y868-Q872 WeakPolarHBondContact O-CG 3.29Å; Y868-Q872 PolarHBondContact O-N 3.39Å; Q872-L874 VanDerWaalsContact C-N 3.34Å; Q872-L874 PolarHBondContact O-N 2.71Å; Q872-F875 PolarHBondContact O-N 2.88Å; Q872-R876 PolarHBondContact O-N 2.93Å; Q872-R876 VanDerWaalsContact O-N 3.08Å |
| 873 | Y | 97 | Very high | 95.3 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 171.4 | 173.1 | -90.3 | 0 | 0 | 0 | 112 | H850 I854 P857 P869 V870 V871 F875 R876 L877 I915 | H850-Y873 AromaticContact CD2-CE2 3.73Å; H850-Y873 AromaticContact CE1-CD2 3.55Å; H850-Y873 AromaticContact CE1-CE2 3.83Å; H850-Y873 AromaticContact NE2-CD2 3.29Å; H850-Y873 VanDerWaalsContact NE2-CD2 3.29Å; H850-Y873 WeakPolarHBondContact NE2-CD2 3.48Å; H850-Y873 AromaticContact NE2-CE2 3.34Å; H850-Y873 VanDerWaalsContact NE2-CE2 3.34Å; H850-Y873 WeakPolarHBondContact NE2-CE2 3.36Å; H850-Y873 AromaticContact NE2-CG 3.82Å; H850-Y873 AromaticContact NE2-CZ 3.89Å; H850-Y873 PolarHBondContact NE2-O 3.27Å; H850-Y873 VanDerWaalsContact O-CE2 3.27Å; H850-Y873 WeakPolarHBondContact O-CE2 3.41Å; I854-Y873 HydrophobicContact CB-CE1 4.48Å; I854-Y873 HydrophobicContact CB-CE2 4.11Å; I854-Y873 WeakPolarHBondContact CB-OH 3.36Å; I854-Y873 HydrophobicContact CD1-CE1 4.33Å; I854-Y873 HydrophobicContact CG1-CE1 4.02Å; I854-Y873 HydrophobicContact CG1-CE2 4.46Å; P857-Y873 HydrophobicContact CG-CD2 3.72Å; P857-Y873 HydrophobicContact CG-CE2 4.48Å; P857-Y873 HydrophobicContact CG-CG 3.78Å; P869-Y873 WeakPolarHBondContact O-CB 3.39Å; P869-Y873 PolarHBondContact O-N 3.05Å; V870-Y873 WeakPolarHBondContact O-CB 3.46Å; V870-Y873 PolarHBondContact O-N 2.99Å; V871-Y873 VanDerWaalsContact C-N 3.35Å; Y873-F875 PolarHBondContact O-N 2.83Å; Y873-R876 PolarHBondContact O-N 2.95Å; Y873-L877 HydrophobicContact CE1-CB 4.46Å; Y873-L877 HydrophobicContact CE1-CD2 4.02Å; Y873-L877 VanDerWaalsContact O-CB 3.31Å; Y873-L877 WeakPolarHBondContact O-CB 3.19Å; Y873-L877 PolarHBondContact O-N 2.8Å; Y873-I915 HydrophobicContact CD1-CD1 3.64Å; Y873-I915 HydrophobicContact CE1-CD1 3.64Å |
| 874 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.5 | -76.3 | 177 | 0 | 0 | 0 | 112.7 | L811 V870 V871 Q872 L877 C878 Q912 I915 T916 L921 | L811-L874 HydrophobicContact CD1-CD1 4.3Å; L811-L874 HydrophobicContact CD2-CB 3.94Å; V870-L874 WeakPolarHBondContact O-CB 3.5Å; V870-L874 VanDerWaalsContact O-CG 3.26Å; V870-L874 WeakPolarHBondContact O-CG 3.43Å; V870-L874 PolarHBondContact O-N 2.88Å; V871-L874 WeakPolarHBondContact O-CB 3.34Å; V871-L874 PolarHBondContact O-N 3.15Å; Q872-L874 VanDerWaalsContact C-N 3.34Å; Q872-L874 PolarHBondContact O-N 2.71Å; L874-L877 HydrophobicContact CD2-CD2 4.43Å; L874-L877 PolarHBondContact O-N 2.96Å; L874-C878 WeakPolarHBondContact O-CB 3.49Å; L874-C878 PolarHBondContact O-N 3Å; L874-C878 PolarHBondContact O-SG 3.01Å; L874-Q912 HydrophobicContact CD2-CB 4.34Å; L874-Q912 HydrophobicContact CD2-CG 4.08Å; L874-I915 HydrophobicContact CD1-CB 4.38Å; L874-I915 HydrophobicContact CD1-CG2 3.69Å; L874-I915 HydrophobicContact CD2-CB 4.15Å; L874-I915 HydrophobicContact CD2-CD1 4.03Å; L874-I915 HydrophobicContact CD2-CG2 4.25Å; L874-I915 HydrophobicContact CG-CB 4.49Å; L874-I915 HydrophobicContact CG-CD1 4.41Å; L874-I915 HydrophobicContact CG-CG2 4.04Å; L874-T916 HydrophobicContact CD1-CG2 3.7Å; L874-L921 HydrophobicContact CD1-CD1 3.74Å |
| 875 | F | 96 | Very high | 95.5 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 4% | 0.039 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.1 | -68.5 | -40 | 0 | 0 | 0 | 111.9 | V782 K786 A806 L811 V871 Q872 Y873 C878 S879 | V782-F875 HydrophobicContact CG1-CE1 3.75Å; V782-F875 HydrophobicContact CG1-CZ 3.41Å; V782-F875 VanDerWaalsContact CG1-CZ 3.41Å; K786-F875 HydrophobicContact CB-CE2 4.43Å; K786-F875 HydrophobicContact CD-CE2 3.94Å; K786-F875 HydrophobicContact CD-CZ 4.24Å; K786-F875 HydrophobicContact CG-CE2 3.94Å; A806-F875 VanDerWaalsContact C-CZ 3.44Å; A806-F875 HydrophobicContact CB-CB 4.24Å; A806-F875 HydrophobicContact CB-CD1 3.77Å; A806-F875 HydrophobicContact CB-CD2 3.62Å; A806-F875 HydrophobicContact CB-CE1 3.92Å; A806-F875 HydrophobicContact CB-CE2 3.75Å; A806-F875 HydrophobicContact CB-CG 3.62Å; A806-F875 HydrophobicContact CB-CZ 3.89Å; A806-F875 VanDerWaalsContact O-CZ 3.26Å; A806-F875 WeakPolarHBondContact O-CZ 3.19Å; L811-F875 HydrophobicContact CD1-CE1 4.41Å; L811-F875 HydrophobicContact CD2-CD1 3.95Å; L811-F875 HydrophobicContact CD2-CE1 4.24Å; L811-F875 HydrophobicContact CG-CD1 4.43Å; L811-F875 HydrophobicContact CG-CE1 4.22Å; V871-F875 HydrophobicContact CG1-CD2 3.93Å; V871-F875 HydrophobicContact CG1-CE1 4.45Å; V871-F875 HydrophobicContact CG1-CE2 3.31Å; V871-F875 HydrophobicContact CG1-CZ 3.62Å; V871-F875 VanDerWaalsContact O-CD2 3.32Å; V871-F875 WeakPolarHBondContact O-CD2 3.49Å; V871-F875 WeakPolarHBondContact O-CG 3.2Å; V871-F875 PolarHBondContact O-N 2.7Å; Q872-F875 PolarHBondContact O-N 2.88Å; Y873-F875 PolarHBondContact O-N 2.83Å; F875-C878 PolarHBondContact O-N 3.35Å; F875-S879 PolarHBondContact O-N 3Å; F875-S879 PolarHBondContact O-OG 2.97Å |
| 876 | R | 95.8 | Very high | 95.4 | Very high | 135 Ų | 135 | 36.7 Ų | 36.7 | 51% | 0.509 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.6 | -42.3 | 176.8 | -177.3 | 60.9 | 176.7 | -161.6 | -1.5 | 111.4 | H850 Q872 Y873 C878 S879 L880 | H850-R876 VanDerWaalsContact CE1-CB 3.48Å; H850-R876 WeakPolarHBondContact CE1-CB 3.45Å; H850-R876 WeakPolarHBondContact CE1-CG 3.39Å; H850-R876 WeakPolarHBondContact ND1-CG 3.37Å; Q872-R876 PolarHBondContact O-N 2.93Å; Q872-R876 VanDerWaalsContact O-N 3.08Å; Y873-R876 PolarHBondContact O-N 2.95Å; R876-C878 VanDerWaalsContact C-N 3.28Å; R876-C878 PolarHBondContact O-N 3.07Å; R876-S879 PolarHBondContact O-N 3.04Å; R876-L880 HydrophobicContact CG-CD1 3.98Å; R876-L880 HydrophobicContact CG-CG 4.47Å; R876-L880 WeakPolarHBondContact O-CG 3.31Å; R876-L880 PolarHBondContact O-N 3Å |
| 877 | L | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 174 | 178.2 | 62.2 | 0 | 0 | 0 | 110.9 | L847 H850 L851 Y873 L874 S881 A908 A911 Q912 | L847-L877 HydrophobicContact CD1-CD1 3.66Å; H850-L877 PolarHBondContact NE2-N 3.36Å; L851-L877 HydrophobicContact CD2-CD1 3.73Å; L851-L877 HydrophobicContact CG-CD1 4.24Å; Y873-L877 HydrophobicContact CE1-CB 4.46Å; Y873-L877 HydrophobicContact CE1-CD2 4.02Å; Y873-L877 VanDerWaalsContact O-CB 3.31Å; Y873-L877 WeakPolarHBondContact O-CB 3.19Å; Y873-L877 PolarHBondContact O-N 2.8Å; L874-L877 HydrophobicContact CD2-CD2 4.43Å; L874-L877 PolarHBondContact O-N 2.96Å; L877-S881 WeakPolarHBondContact O-CB 3.37Å; L877-S881 PolarHBondContact O-N 3.38Å; L877-S881 PolarHBondContact O-OG 3.22Å; L877-A908 HydrophobicContact CD1-CB 4.11Å; L877-A911 HydrophobicContact CD2-CB 4.14Å; L877-Q912 HydrophobicContact CD2-CB 4.1Å |
| 878 | C | 94.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -42.6 | 178.1 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | L811 T814 L874 F875 R876 N882 | L811-C878 HydrophobicContact CD2-CB 4.41Å; L811-C878 WeakPolarHBondContact CD2-SG 3.38Å; T814-C878 HydrophobicContact CG2-CB 4.06Å; L874-C878 WeakPolarHBondContact O-CB 3.49Å; L874-C878 PolarHBondContact O-N 3Å; L874-C878 PolarHBondContact O-SG 3.01Å; F875-C878 PolarHBondContact O-N 3.35Å; R876-C878 VanDerWaalsContact C-N 3.28Å; R876-C878 PolarHBondContact O-N 3.07Å; C878-N882 VanDerWaalsContact O-CB 3.31Å; C878-N882 WeakPolarHBondContact O-CB 3.16Å; C878-N882 VanDerWaalsContact O-CG 3.24Å; C878-N882 PolarHBondContact O-N 3.16Å; C878-N882 PolarHBondContact O-ND2 3.23Å |
| 879 | S | 94.7 | Very high | 94.9 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | F875 R876 R883 | F875-S879 PolarHBondContact O-N 3Å; F875-S879 PolarHBondContact O-OG 2.97Å; R876-S879 PolarHBondContact O-N 3.04Å; S879-R883 PolarHBondContact O-N 3Å; S879-R883 VanDerWaalsContact O-N 3.13Å |
| 880 | L | 96.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 178.9 | -68.6 | 171.2 | 0 | 0 | 0 | 111.6 | A846 L847 H850 R876 N882 R883 A884 | A846-L880 HydrophobicContact CB-CD2 4.11Å; A846-L880 WeakPolarHBondContact O-CD1 3.12Å; L847-L880 HydrophobicContact CB-CB 4.47Å; L847-L880 HydrophobicContact CD1-CB 3.94Å; H850-L880 HydrophobicContact CB-CD1 3.39Å; R876-L880 HydrophobicContact CG-CD1 3.98Å; R876-L880 HydrophobicContact CG-CG 4.47Å; R876-L880 WeakPolarHBondContact O-CG 3.31Å; R876-L880 PolarHBondContact O-N 3Å; L880-N882 VanDerWaalsContact C-N 3.31Å; L880-N882 PolarHBondContact O-N 3.42Å; L880-R883 PolarHBondContact O-N 3.27Å; L880-R883 VanDerWaalsContact O-N 3.11Å; L880-A884 WeakPolarHBondContact O-CB 3.31Å; L880-A884 PolarHBondContact O-N 3.41Å |
| 881 | S | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 177 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | L877 H885 | L877-S881 WeakPolarHBondContact O-CB 3.37Å; L877-S881 PolarHBondContact O-N 3.38Å; L877-S881 PolarHBondContact O-OG 3.22Å; S881-H885 VanDerWaalsContact O-CB 3.23Å; S881-H885 WeakPolarHBondContact O-CB 3.47Å; S881-H885 PolarHBondContact O-N 3.26Å |
| 882 | N | 93.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.3 | -33.5 | 177.8 | -74.2 | -47.4 | 0 | 0 | 0 | 112.6 | T814 R817 C878 L880 K886 | T814-N882 PolarHBondContact OG1-ND2 3.43Å; R817-N882 PolarHBondContact NH1-OD1 3.11Å; C878-N882 VanDerWaalsContact O-CB 3.31Å; C878-N882 WeakPolarHBondContact O-CB 3.16Å; C878-N882 VanDerWaalsContact O-CG 3.24Å; C878-N882 PolarHBondContact O-N 3.16Å; C878-N882 PolarHBondContact O-ND2 3.23Å; L880-N882 VanDerWaalsContact C-N 3.31Å; L880-N882 PolarHBondContact O-N 3.42Å; N882-K886 WeakPolarHBondContact O-CG 3.27Å; N882-K886 PolarHBondContact O-N 3.34Å |
| 883 | R | 94.4 | Very high | 93.5 | Very high | 123 Ų | 123 | 54.8 Ų | 54.8 | 46% | 0.464 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.4 | -48 | 174.6 | -170.8 | -174.5 | -59.1 | -175.7 | -0.9 | 110.9 | E843 S879 L880 K886 R887 | E843-R883 HydrophobicContact CG-CG 4.05Å; S879-R883 PolarHBondContact O-N 3Å; S879-R883 VanDerWaalsContact O-N 3.13Å; L880-R883 PolarHBondContact O-N 3.27Å; L880-R883 VanDerWaalsContact O-N 3.11Å; R883-K886 PolarHBondContact O-N 3.03Å; R883-R887 PolarHBondContact O-N 3.22Å |
| 884 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | E843 L847 L880 K886 R887 L888 F905 | E843-A884 HydrophobicContact CB-CB 4.19Å; L847-A884 HydrophobicContact CD2-CB 3.91Å; L880-A884 WeakPolarHBondContact O-CB 3.31Å; L880-A884 PolarHBondContact O-N 3.41Å; A884-K886 PolarHBondContact O-N 3.25Å; A884-R887 PolarHBondContact O-N 2.91Å; A884-L888 HydrophobicContact CB-CD1 3.94Å; A884-L888 HydrophobicContact CB-CG 4.43Å; A884-L888 WeakPolarHBondContact O-CB 3.4Å; A884-L888 WeakPolarHBondContact O-CG 3.14Å; A884-L888 PolarHBondContact O-N 3.08Å; A884-F905 HydrophobicContact CB-CE1 3.76Å; A884-F905 HydrophobicContact CB-CZ 3.91Å |
| 885 | H | 93.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -33.1 | 179.7 | -179.5 | 74.1 | 0 | 0 | 0 | 113.5 | R817 S881 F905 | R817-H885 VanDerWaalsContact CD-CD2 3.47Å; R817-H885 WeakPolarHBondContact CD-CD2 3.45Å; S881-H885 VanDerWaalsContact O-CB 3.23Å; S881-H885 WeakPolarHBondContact O-CB 3.47Å; S881-H885 PolarHBondContact O-N 3.26Å; H885-F905 HydrophobicContact CB-CE1 4.03Å; H885-F905 HydrophobicContact CB-CZ 4.28Å |
| 886 | K | 92.3 | Very high | 92.2 | Very high | 173 Ų | 173 | 65.8 Ų | 65.8 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -72.8 | -28.2 | 177.5 | -73.9 | 177.2 | 180 | -171.2 | 0 | 113.3 | N882 R883 A884 | N882-K886 WeakPolarHBondContact O-CG 3.27Å; N882-K886 PolarHBondContact O-N 3.34Å; R883-K886 PolarHBondContact O-N 3.03Å; A884-K886 PolarHBondContact O-N 3.25Å |
| 887 | R | 93.3 | Very high | 91.9 | Very high | 162 Ų | 162 | 61.7 Ų | 61.7 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -107.4 | -34.3 | -172.1 | -70.6 | -175.8 | 172.3 | 161.9 | -2.3 | 113.7 | E843 R883 A884 R889 | E843-R887 VanDerWaalsContact CD-CD 3.41Å; E843-R887 HydrophobicContact CG-CB 4.37Å; E843-R887 WeakPolarHBondContact OE1-CD 3.45Å; E843-R887 IonicContact OE1-CZ 2.86Å; E843-R887 IonicContact OE1-NE 3.52Å; E843-R887 IonicContact OE1-NH1 3.69Å; E843-R887 PolarHBondContact OE1-NH1 3.49Å; R883-R887 PolarHBondContact O-N 3.22Å; A884-R887 PolarHBondContact O-N 2.91Å; R887-R889 PolarHBondContact O-N 3.38Å |
| 888 | L | 93.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | trans | -97.5 | 91.2 | -175.7 | -50.3 | -178.2 | 0 | 0 | 0 | 110.4 | E841 E843 A844 A884 R901 L904 F905 | E841-L888 HydrophobicContact CB-CD2 3.73Å; E841-L888 HydrophobicContact CG-CD2 3.97Å; E843-L888 HydrophobicContact CB-CD1 4.3Å; E843-L888 HydrophobicContact CB-CD2 4.48Å; E843-L888 HydrophobicContact CB-CG 4.36Å; A844-L888 HydrophobicContact CB-CD1 3.78Å; A884-L888 HydrophobicContact CB-CD1 3.94Å; A884-L888 HydrophobicContact CB-CG 4.43Å; A884-L888 WeakPolarHBondContact O-CB 3.4Å; A884-L888 WeakPolarHBondContact O-CG 3.14Å; A884-L888 PolarHBondContact O-N 3.08Å; L888-R901 HydrophobicContact CB-CG 4.3Å; L888-L904 HydrophobicContact CD1-CD2 4.26Å; L888-F905 HydrophobicContact CB-CE2 4.17Å; L888-F905 HydrophobicContact CB-CZ 4.11Å; L888-F905 HydrophobicContact CD1-CZ 4.45Å | ||
| 889 | R | 92.4 | Very high | 91.4 | Very high | 169 Ų | 169 | 62 Ų | 62 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | trans | -78.4 | 137.6 | 177.7 | -69.3 | -170.2 | 175.7 | -173 | 2.6 | 111.7 | R887 D892 R901 | R887-R889 PolarHBondContact O-N 3.38Å; R889-D892 IonicContact NH1-OD2 3.82Å; R889-R901 WeakPolarHBondContact O-CD 3.49Å; R889-R901 PolarHBondContact O-NH1 3.49Å | ||
| 890 | I | 92.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -91.5 | -36 | 174.6 | -56.3 | 178.7 | 0 | 0 | 0 | 111.7 | L821 F825 L828 D892 A893 A898 R901 F905 | L821-I890 HydrophobicContact CD1-CD1 4.01Å; L821-I890 HydrophobicContact CD2-CD1 4.1Å; L821-I890 HydrophobicContact CG-CD1 4.05Å; F825-I890 HydrophobicContact CB-CG2 4.24Å; F825-I890 HydrophobicContact CD1-CB 4.16Å; F825-I890 HydrophobicContact CD1-CG2 3.46Å; F825-I890 VanDerWaalsContact CD1-CG2 3.46Å; F825-I890 HydrophobicContact CD2-CB 3.91Å; F825-I890 HydrophobicContact CD2-CD1 3.82Å; F825-I890 HydrophobicContact CD2-CG1 4.42Å; F825-I890 HydrophobicContact CD2-CG2 3.93Å; F825-I890 HydrophobicContact CE1-CB 4Å; F825-I890 HydrophobicContact CE1-CG2 3.67Å; F825-I890 HydrophobicContact CE2-CB 3.75Å; F825-I890 HydrophobicContact CE2-CD1 4.32Å; F825-I890 HydrophobicContact CE2-CG1 4.49Å; F825-I890 HydrophobicContact CE2-CG2 4.13Å; F825-I890 HydrophobicContact CG-CB 4.12Å; F825-I890 HydrophobicContact CG-CD1 4.23Å; F825-I890 HydrophobicContact CG-CG2 3.6Å; F825-I890 HydrophobicContact CZ-CB 3.79Å; F825-I890 HydrophobicContact CZ-CG2 4Å; L828-I890 HydrophobicContact CD1-CG2 3.7Å; I890-D892 VanDerWaalsContact C-N 3.26Å; I890-D892 PolarHBondContact O-N 2.95Å; I890-A893 PolarHBondContact O-N 3.23Å; I890-A898 HydrophobicContact CG2-CB 3.99Å; I890-R901 HydrophobicContact CG1-CB 4.05Å; I890-F905 HydrophobicContact CD1-CD2 4.07Å |
| 891 | A | 88 | Confident | 91.1 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 51% | 0.512 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | F825 | F825-A891 HydrophobicContact CE1-CB 4.35Å; F825-A891 HydrophobicContact CZ-CB 3.95Å |
| 892 | D | 84.6 | Confident | 91 | Very high | 121 Ų | 121 | 61 Ų | 61 | 65% | 0.647 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 10.2 | -169.1 | -44.7 | -42.2 | 0 | 0 | 0 | 112.2 | R889 I890 | R889-D892 IonicContact NH1-OD2 3.82Å; I890-D892 VanDerWaalsContact C-N 3.26Å; I890-D892 PolarHBondContact O-N 2.95Å |
| 893 | A | 87.9 | Confident | 91 | Very high | 23 Ų | 23 | 60 Ų | 60 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -90.1 | 158.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I890 Q897 A898 | I890-A893 PolarHBondContact O-N 3.23Å; A893-Q897 HydrophobicContact CB-CB 4.08Å; A893-Q897 HydrophobicContact CB-CG 4.13Å; A893-A898 HydrophobicContact CB-CB 4.19Å |
| 894 | S | 88.8 | Confident | 90.9 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | trans | -57.6 | 154.4 | 168.2 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | E896 Q897 A898 | S894-E896 VanDerWaalsContact C-N 3.26Å; S894-E896 PolarHBondContact O-N 2.86Å; S894-Q897 CarbonylContact O-C 3.55Å; S894-Q897 PolarHBondContact O-N 3.06Å; S894-Q897 WeakPolarHBondContact OG-CB 3.34Å; S894-Q897 PolarHBondContact OG-N 3.5Å; S894-A898 WeakPolarHBondContact O-CB 3.49Å; S894-A898 PolarHBondContact O-N 3.28Å | ||
| 895 | T | 87.1 | Confident | 91 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 56% | 0.558 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -51.4 | -45.8 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | A898 V899 | T895-A898 PolarHBondContact O-N 2.9Å; T895-V899 WeakPolarHBondContact O-CB 3.28Å; T895-V899 VanDerWaalsContact O-CG2 3.23Å; T895-V899 WeakPolarHBondContact O-CG2 3.34Å; T895-V899 PolarHBondContact O-N 3.48Å |
| 896 | E | 85.7 | Confident | 91 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 175.9 | -70.5 | 175.2 | -177.1 | 0 | 0 | 112.4 | M835 S894 V899 A900 | M835-E896 HydrophobicContact CE-CG 3.39Å; M835-E896 HydrophobicContact SD-CG 4.18Å; S894-E896 VanDerWaalsContact C-N 3.26Å; S894-E896 PolarHBondContact O-N 2.86Å; E896-V899 PolarHBondContact O-N 3.45Å; E896-A900 WeakPolarHBondContact O-CB 3.46Å; E896-A900 PolarHBondContact O-N 3.28Å |
| 897 | Q | 89.3 | Confident | 91 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.229 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71 | -33.7 | -178 | -171.7 | 173.1 | 41.2 | 0 | 0 | 112 | E841 A893 S894 A900 R901 | E841-Q897 PolarHBondContact OE1-NE2 2.99Å; A893-Q897 HydrophobicContact CB-CB 4.08Å; A893-Q897 HydrophobicContact CB-CG 4.13Å; S894-Q897 CarbonylContact O-C 3.55Å; S894-Q897 PolarHBondContact O-N 3.06Å; S894-Q897 WeakPolarHBondContact OG-CB 3.34Å; S894-Q897 PolarHBondContact OG-N 3.5Å; Q897-A900 PolarHBondContact O-N 3.26Å; Q897-R901 VanDerWaalsContact CD-CZ 3.49Å; Q897-R901 VanDerWaalsContact CD-NH2 3.32Å; Q897-R901 HydrophobicContact CG-CG 4.46Å; Q897-R901 WeakPolarHBondContact O-CB 3.45Å; Q897-R901 VanDerWaalsContact O-CG 3.23Å; Q897-R901 WeakPolarHBondContact O-CG 3.3Å; Q897-R901 PolarHBondContact O-N 3.46Å |
| 898 | A | 91.6 | Very high | 91.1 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L828 I890 A893 S894 T895 A900 Y902 | L828-A898 HydrophobicContact CD1-CB 3.93Å; I890-A898 HydrophobicContact CG2-CB 3.99Å; A893-A898 HydrophobicContact CB-CB 4.19Å; S894-A898 WeakPolarHBondContact O-CB 3.49Å; S894-A898 PolarHBondContact O-N 3.28Å; T895-A898 PolarHBondContact O-N 2.9Å; A898-A900 VanDerWaalsContact C-N 3.34Å; A898-Y902 WeakPolarHBondContact O-CB 3.4Å; A898-Y902 PolarHBondContact O-N 3.47Å |
| 899 | V | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | L828 N831 V832 T895 E896 Y902 A903 | L828-V899 HydrophobicContact CB-CG2 4.39Å; L828-V899 HydrophobicContact CD2-CG2 4.19Å; N831-V899 HydrophobicContact CB-CG1 4.14Å; N831-V899 HydrophobicContact CB-CG2 3.62Å; N831-V899 WeakPolarHBondContact O-CG1 3.49Å; V832-V899 HydrophobicContact CG2-CG1 4.14Å; T895-V899 WeakPolarHBondContact O-CB 3.28Å; T895-V899 VanDerWaalsContact O-CG2 3.23Å; T895-V899 WeakPolarHBondContact O-CG2 3.34Å; T895-V899 PolarHBondContact O-N 3.48Å; E896-V899 PolarHBondContact O-N 3.45Å; V899-Y902 PolarHBondContact O-N 3.13Å; V899-A903 WeakPolarHBondContact O-CB 3.43Å; V899-A903 PolarHBondContact O-N 3.05Å |
| 900 | A | 90 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L837 L839 E896 Q897 A898 Y902 A903 L904 | L837-A900 HydrophobicContact CB-CB 4.27Å; L837-A900 HydrophobicContact CD2-CB 3.95Å; L839-A900 HydrophobicContact CD1-CB 4.37Å; L839-A900 HydrophobicContact CD2-CB 3.85Å; L839-A900 HydrophobicContact CG-CB 3.87Å; E896-A900 WeakPolarHBondContact O-CB 3.46Å; E896-A900 PolarHBondContact O-N 3.28Å; Q897-A900 PolarHBondContact O-N 3.26Å; A898-A900 VanDerWaalsContact C-N 3.34Å; A900-Y902 VanDerWaalsContact C-N 3.35Å; A900-Y902 PolarHBondContact O-N 3Å; A900-A903 PolarHBondContact O-N 3.5Å; A900-L904 PolarHBondContact O-N 2.96Å |
| 901 | R | 93.7 | Very high | 91.1 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 11% | 0.109 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 175.5 | -71.2 | 171.2 | 176.7 | 171.3 | 1.8 | 111.2 | L839 E841 L888 R889 I890 Q897 L904 F905 | L839-R901 HydrophobicContact CD2-CG 4.34Å; E841-R901 IonicContact OE1-CZ 3.52Å; E841-R901 VanDerWaalsContact OE1-CZ 3.22Å; E841-R901 IonicContact OE1-NE 3.91Å; E841-R901 PolarHBondContact OE1-NE 3.43Å; E841-R901 IonicContact OE1-NH2 3.66Å; E841-R901 PolarHBondContact OE1-NH2 2.96Å; L888-R901 HydrophobicContact CB-CG 4.3Å; R889-R901 WeakPolarHBondContact O-CD 3.49Å; R889-R901 PolarHBondContact O-NH1 3.49Å; I890-R901 HydrophobicContact CG1-CB 4.05Å; Q897-R901 VanDerWaalsContact CD-CZ 3.49Å; Q897-R901 VanDerWaalsContact CD-NH2 3.32Å; Q897-R901 HydrophobicContact CG-CG 4.46Å; Q897-R901 WeakPolarHBondContact O-CB 3.45Å; Q897-R901 VanDerWaalsContact O-CG 3.23Å; Q897-R901 WeakPolarHBondContact O-CG 3.3Å; Q897-R901 PolarHBondContact O-N 3.46Å; R901-L904 PolarHBondContact O-N 3.32Å; R901-F905 HydrophobicContact CB-CE2 4.46Å; R901-F905 WeakPolarHBondContact O-CD2 3.4Å; R901-F905 PolarHBondContact O-N 3.15Å |
| 902 | Y | 94 | Very high | 91.3 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.3 | 172.2 | -95.2 | 0 | 0 | 0 | 112 | C822 F825 L828 E829 V832 A898 V899 A900 L904 F905 S906 | C822-Y902 HydrophobicContact CB-CE2 4.28Å; F825-Y902 HydrophobicContact CB-CD2 3.81Å; F825-Y902 HydrophobicContact CB-CE2 4.31Å; F825-Y902 WeakPolarHBondContact O-CE2 3.46Å; L828-Y902 HydrophobicContact CB-CD1 4.02Å; L828-Y902 HydrophobicContact CB-CG 4.02Å; L828-Y902 HydrophobicContact CD1-CG 4.44Å; E829-Y902 HydrophobicContact CB-CE1 4.05Å; E829-Y902 WeakPolarHBondContact OE2-CE1 3.45Å; E829-Y902 PolarHBondContact OE2-OH 3.14Å; V832-Y902 HydrophobicContact CG2-CD1 3.78Å; V832-Y902 HydrophobicContact CG2-CE1 3.98Å; A898-Y902 WeakPolarHBondContact O-CB 3.4Å; A898-Y902 PolarHBondContact O-N 3.47Å; V899-Y902 PolarHBondContact O-N 3.13Å; A900-Y902 VanDerWaalsContact C-N 3.35Å; A900-Y902 PolarHBondContact O-N 3Å; Y902-L904 VanDerWaalsContact C-N 3.31Å; Y902-L904 PolarHBondContact O-N 3.29Å; Y902-F905 PolarHBondContact O-N 2.87Å; Y902-S906 WeakPolarHBondContact O-CB 3.31Å; Y902-S906 PolarHBondContact O-N 3.35Å; Y902-S906 PolarHBondContact O-OG 3.46Å |
| 903 | A | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V832 L837 V899 A900 S906 T907 | V832-A903 HydrophobicContact CG1-CB 3.83Å; V832-A903 HydrophobicContact CG2-CB 4.18Å; L837-A903 HydrophobicContact CD2-CB 4Å; V899-A903 WeakPolarHBondContact O-CB 3.43Å; V899-A903 PolarHBondContact O-N 3.05Å; A900-A903 PolarHBondContact O-N 3.5Å; A903-S906 WeakPolarHBondContact CA-OG 3.45Å; A903-S906 PolarHBondContact O-OG 3.25Å; A903-S906 VanDerWaalsContact O-OG 3.05Å; A903-T907 VanDerWaalsContact O-CB 3.32Å; A903-T907 WeakPolarHBondContact O-CB 3.41Å; A903-T907 PolarHBondContact O-N 2.89Å; A903-T907 PolarHBondContact O-OG1 3.45Å |
| 904 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 176.3 | -176.3 | 67 | 0 | 0 | 0 | 112.5 | L450 L839 A844 L847 M848 L851 L888 A900 R901 Y902 T907 A908 | L450-L904 HydrophobicContact CD1-CD1 4.24Å; L450-L904 HydrophobicContact CD2-CD1 4.25Å; L839-L904 HydrophobicContact CD1-CB 4.24Å; L839-L904 HydrophobicContact CD2-CD2 4.33Å; A844-L904 HydrophobicContact CB-CD2 3.93Å; L847-L904 HydrophobicContact CB-CD1 4.32Å; L847-L904 HydrophobicContact CB-CD2 4.31Å; L847-L904 HydrophobicContact CD2-CD1 4.23Å; L847-L904 HydrophobicContact CD2-CD2 3.93Å; L847-L904 HydrophobicContact CD2-CG 3.81Å; L847-L904 HydrophobicContact CG-CD1 3.99Å; L847-L904 HydrophobicContact CG-CD2 4.35Å; L847-L904 HydrophobicContact CG-CG 4.15Å; M848-L904 HydrophobicContact CB-CD1 4.07Å; L851-L904 HydrophobicContact CD1-CD1 3.92Å; L888-L904 HydrophobicContact CD1-CD2 4.26Å; A900-L904 PolarHBondContact O-N 2.96Å; R901-L904 PolarHBondContact O-N 3.32Å; Y902-L904 VanDerWaalsContact C-N 3.31Å; Y902-L904 PolarHBondContact O-N 3.29Å; L904-T907 PolarHBondContact O-N 2.99Å; L904-A908 PolarHBondContact O-N 3.17Å |
| 905 | F | 95.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.7 | -37 | -179.1 | -71.8 | -61.5 | 0 | 0 | 0 | 113.2 | L818 L821 L847 A884 H885 L888 I890 R901 Y902 T907 A908 R909 | L818-F905 HydrophobicContact CD2-CB 4.3Å; L818-F905 HydrophobicContact CD2-CD1 3.67Å; L818-F905 HydrophobicContact CD2-CE1 4.48Å; L818-F905 HydrophobicContact CD2-CG 4.37Å; L821-F905 HydrophobicContact CD2-CB 3.81Å; L821-F905 HydrophobicContact CD2-CD1 4.05Å; L821-F905 HydrophobicContact CD2-CD2 3.51Å; L821-F905 HydrophobicContact CD2-CE2 4.05Å; L821-F905 HydrophobicContact CD2-CG 3.52Å; L847-F905 HydrophobicContact CD2-CE1 4.45Å; A884-F905 HydrophobicContact CB-CE1 3.76Å; A884-F905 HydrophobicContact CB-CZ 3.91Å; H885-F905 HydrophobicContact CB-CE1 4.03Å; H885-F905 HydrophobicContact CB-CZ 4.28Å; L888-F905 HydrophobicContact CB-CE2 4.17Å; L888-F905 HydrophobicContact CB-CZ 4.11Å; L888-F905 HydrophobicContact CD1-CZ 4.45Å; I890-F905 HydrophobicContact CD1-CD2 4.07Å; R901-F905 HydrophobicContact CB-CE2 4.46Å; R901-F905 WeakPolarHBondContact O-CD2 3.4Å; R901-F905 PolarHBondContact O-N 3.15Å; Y902-F905 PolarHBondContact O-N 2.87Å; F905-T907 VanDerWaalsContact C-N 3.32Å; F905-A908 PolarHBondContact O-N 3.44Å; F905-R909 WeakPolarHBondContact O-CB 3.28Å; F905-R909 PolarHBondContact O-N 2.98Å |
| 906 | S | 93.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 6% | 0.056 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -35.7 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | C822 Y902 A903 R909 A910 | C822-S906 VanDerWaalsContact SG-CA 3.57Å; Y902-S906 WeakPolarHBondContact O-CB 3.31Å; Y902-S906 PolarHBondContact O-N 3.35Å; Y902-S906 PolarHBondContact O-OG 3.46Å; A903-S906 WeakPolarHBondContact CA-OG 3.45Å; A903-S906 PolarHBondContact O-OG 3.25Å; A903-S906 VanDerWaalsContact O-OG 3.05Å; S906-R909 PolarHBondContact O-N 3.47Å; S906-A910 WeakPolarHBondContact O-CB 3.33Å; S906-A910 PolarHBondContact O-N 3.18Å |
| 907 | T | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.8 | -43 | 173.5 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | L450 L453 R454 L457 L851 A903 L904 F905 R909 A910 A911 | L450-T907 HydrophobicContact CD1-CG2 3.69Å; L450-T907 HydrophobicContact CG-CG2 4.39Å; L453-T907 HydrophobicContact CD2-CG2 4.24Å; L453-T907 HydrophobicContact CG-CG2 4.34Å; R454-T907 HydrophobicContact CB-CG2 4.21Å; L457-T907 HydrophobicContact CD1-CG2 4.46Å; L851-T907 HydrophobicContact CD1-CG2 4.27Å; A903-T907 VanDerWaalsContact O-CB 3.32Å; A903-T907 WeakPolarHBondContact O-CB 3.41Å; A903-T907 PolarHBondContact O-N 2.89Å; A903-T907 PolarHBondContact O-OG1 3.45Å; L904-T907 PolarHBondContact O-N 2.99Å; F905-T907 VanDerWaalsContact C-N 3.32Å; T907-R909 VanDerWaalsContact C-N 3.31Å; T907-R909 PolarHBondContact O-N 3.33Å; T907-A910 PolarHBondContact O-N 2.87Å; T907-A911 WeakPolarHBondContact O-CB 3.18Å; T907-A911 PolarHBondContact O-N 3.48Å |
| 908 | A | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | L818 L847 L851 L877 L904 F905 Q912 | L818-A908 HydrophobicContact CD1-CB 4.27Å; L847-A908 HydrophobicContact CD1-CB 4.36Å; L847-A908 HydrophobicContact CD2-CB 4.37Å; L851-A908 HydrophobicContact CD1-CB 4.29Å; L851-A908 HydrophobicContact CD2-CB 4.4Å; L877-A908 HydrophobicContact CD1-CB 4.11Å; L904-A908 PolarHBondContact O-N 3.17Å; F905-A908 PolarHBondContact O-N 3.44Å; A908-Q912 WeakPolarHBondContact O-CB 3.14Å; A908-Q912 PolarHBondContact O-N 3.09Å |
| 909 | R | 93.6 | Very high | 90.2 | Very high | 80 Ų | 80 | 18.8 Ų | 18.8 | 30% | 0.302 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 173.9 | -171.4 | -173 | 72.2 | 122.6 | -2.4 | 111.5 | L818 T819 F905 S906 T907 Q912 F913 | L818-R909 HydrophobicContact CB-CB 4.03Å; L818-R909 HydrophobicContact CB-CG 4.14Å; L818-R909 HydrophobicContact CD1-CB 4.39Å; T819-R909 WeakPolarHBondContact OG1-CD 3.5Å; F905-R909 WeakPolarHBondContact O-CB 3.28Å; F905-R909 PolarHBondContact O-N 2.98Å; S906-R909 PolarHBondContact O-N 3.47Å; T907-R909 VanDerWaalsContact C-N 3.31Å; T907-R909 PolarHBondContact O-N 3.33Å; R909-Q912 PolarHBondContact O-N 3.16Å; R909-F913 WeakPolarHBondContact O-CB 3.4Å; R909-F913 PolarHBondContact O-N 3.45Å |
| 910 | A | 91.2 | Very high | 90 | Very high | 19 Ų | 19 | 18.8 Ų | 18.8 | 16% | 0.157 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L457 S906 T907 F913 S914 | L457-A910 HydrophobicContact CB-CB 4.26Å; L457-A910 HydrophobicContact CD1-CB 4.25Å; S906-A910 WeakPolarHBondContact O-CB 3.33Å; S906-A910 PolarHBondContact O-N 3.18Å; T907-A910 PolarHBondContact O-N 2.87Å; A910-F913 PolarHBondContact O-N 3.23Å; A910-S914 WeakPolarHBondContact O-CB 3.32Å; A910-S914 PolarHBondContact O-N 3.21Å; A910-S914 PolarHBondContact O-OG 3.29Å |
| 911 | A | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -49.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L457 L851 I854 L877 T907 F913 S914 I915 | L457-A911 HydrophobicContact CD1-CB 3.87Å; L851-A911 HydrophobicContact CD2-CB 3.76Å; I854-A911 HydrophobicContact CD1-CB 3.87Å; L877-A911 HydrophobicContact CD2-CB 4.14Å; T907-A911 WeakPolarHBondContact O-CB 3.18Å; T907-A911 PolarHBondContact O-N 3.48Å; A911-F913 PolarHBondContact O-N 3.29Å; A911-S914 PolarHBondContact O-N 3.41Å; A911-I915 WeakPolarHBondContact O-CG1 3.4Å; A911-I915 PolarHBondContact O-N 3.12Å; A911-I915 VanDerWaalsContact O-N 3.15Å |
| 912 | Q | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.8 | -52.4 | 175.6 | -176.7 | 177 | 13.2 | 0 | 0 | 110.9 | L811 L874 L877 A908 R909 S914 I915 T916 M925 | L811-Q912 PolarHBondContact O-NE2 3.48Å; L874-Q912 HydrophobicContact CD2-CB 4.34Å; L874-Q912 HydrophobicContact CD2-CG 4.08Å; L877-Q912 HydrophobicContact CD2-CB 4.1Å; A908-Q912 WeakPolarHBondContact O-CB 3.14Å; A908-Q912 PolarHBondContact O-N 3.09Å; R909-Q912 PolarHBondContact O-N 3.16Å; Q912-S914 VanDerWaalsContact C-N 3.32Å; Q912-S914 PolarHBondContact O-N 2.97Å; Q912-I915 PolarHBondContact O-N 2.83Å; Q912-T916 WeakPolarHBondContact O-CG2 3.41Å; Q912-T916 PolarHBondContact O-N 3.31Å; Q912-T916 VanDerWaalsContact O-N 3.1Å; Q912-T916 PolarHBondContact O-OG1 2.58Å; Q912-M925 HydrophobicContact CG-CE 4.48Å |
| 913 | F | 90.2 | Very high | 89.6 | Confident | 72 Ų | 72 | 20.5 Ų | 20.5 | 32% | 0.316 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -60.8 | -38.4 | -178.8 | -176.9 | -92.3 | 0 | 0 | 0 | 112.7 | H815 R909 A910 A911 T916 N917 | H815-F913 AromaticContact CE1-CD2 3.72Å; H815-F913 AromaticContact NE2-CD2 3.91Å; R909-F913 WeakPolarHBondContact O-CB 3.4Å; R909-F913 PolarHBondContact O-N 3.45Å; A910-F913 PolarHBondContact O-N 3.23Å; A911-F913 PolarHBondContact O-N 3.29Å; F913-T916 PolarHBondContact O-N 3.08Å; F913-N917 HydrophobicContact CD1-CB 4.22Å; F913-N917 HydrophobicContact CD2-CB 3.57Å; F913-N917 HydrophobicContact CE1-CB 4.15Å; F913-N917 HydrophobicContact CE2-CB 3.51Å; F913-N917 VanDerWaalsContact CE2-CG 3.47Å; F913-N917 WeakPolarHBondContact CE2-ND2 3.41Å; F913-N917 HydrophobicContact CG-CB 3.97Å; F913-N917 HydrophobicContact CZ-CB 3.83Å; F913-N917 WeakPolarHBondContact CZ-ND2 3.37Å; F913-N917 WeakPolarHBondContact O-CB 3.29Å; F913-N917 PolarHBondContact O-N 2.88Å |
| 914 | S | 89.3 | Confident | 89.4 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.5 | -36 | -179.6 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | L465 A910 A911 Q912 R919 | L465-S914 WeakPolarHBondContact CD2-O 3.5Å; A910-S914 WeakPolarHBondContact O-CB 3.32Å; A910-S914 PolarHBondContact O-N 3.21Å; A910-S914 PolarHBondContact O-OG 3.29Å; A911-S914 PolarHBondContact O-N 3.41Å; Q912-S914 VanDerWaalsContact C-N 3.32Å; Q912-S914 PolarHBondContact O-N 2.97Å; S914-R919 WeakPolarHBondContact O-CB 3.47Å; S914-R919 VanDerWaalsContact O-CD 3.28Å; S914-R919 WeakPolarHBondContact O-CD 3.29Å; S914-R919 PolarHBondContact OG-NH1 3.48Å; S914-R919 VanDerWaalsContact OG-NH1 3.09Å |
| 915 | I | 91.3 | Very high | 89 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.3 | -31.4 | 176 | -63.8 | 171.3 | 0 | 0 | 0 | 110.5 | I854 L858 V870 Y873 L874 A911 Q912 L920 L921 | I854-I915 HydrophobicContact CD1-CD1 4.17Å; I854-I915 HydrophobicContact CG1-CD1 4.28Å; L858-I915 HydrophobicContact CD2-CG1 4.42Å; V870-I915 HydrophobicContact CB-CG2 4.06Å; V870-I915 HydrophobicContact CG2-CG2 4.45Å; Y873-I915 HydrophobicContact CD1-CD1 3.64Å; Y873-I915 HydrophobicContact CE1-CD1 3.64Å; L874-I915 HydrophobicContact CD1-CB 4.38Å; L874-I915 HydrophobicContact CD1-CG2 3.69Å; L874-I915 HydrophobicContact CD2-CB 4.15Å; L874-I915 HydrophobicContact CD2-CD1 4.03Å; L874-I915 HydrophobicContact CD2-CG2 4.25Å; L874-I915 HydrophobicContact CG-CB 4.49Å; L874-I915 HydrophobicContact CG-CD1 4.41Å; L874-I915 HydrophobicContact CG-CG2 4.04Å; A911-I915 WeakPolarHBondContact O-CG1 3.4Å; A911-I915 PolarHBondContact O-N 3.12Å; A911-I915 VanDerWaalsContact O-N 3.15Å; Q912-I915 PolarHBondContact O-N 2.83Å; I915-L920 HydrophobicContact CG2-CD2 4.38Å; I915-L920 WeakPolarHBondContact O-CB 3.36Å; I915-L921 HydrophobicContact CG2-CD1 4.25Å; I915-L921 HydrophobicContact CG2-CG 4.21Å; I915-L921 PolarHBondContact O-N 2.85Å |
| 916 | T | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -99 | -62.6 | -172.7 | 56.8 | 0 | 0 | 0 | 0 | 114.8 | L874 Q912 F913 Y918 L921 R922 I923 M925 | L874-T916 HydrophobicContact CD1-CG2 3.7Å; Q912-T916 WeakPolarHBondContact O-CG2 3.41Å; Q912-T916 PolarHBondContact O-N 3.31Å; Q912-T916 VanDerWaalsContact O-N 3.1Å; Q912-T916 PolarHBondContact O-OG1 2.58Å; F913-T916 PolarHBondContact O-N 3.08Å; T916-Y918 PolarHBondContact O-N 2.91Å; T916-Y918 VanDerWaalsContact O-N 3.08Å; T916-L921 HydrophobicContact CG2-CD1 4.39Å; T916-R922 WeakPolarHBondContact O-CA 3.35Å; T916-R922 PolarHBondContact O-N 2.83Å; T916-R922 VanDerWaalsContact O-N 3.16Å; T916-I923 CarbonylContact C-O 3.6Å; T916-I923 HydrophobicContact CG2-CD1 4.45Å; T916-I923 PolarHBondContact O-N 3.22Å; T916-M925 VanDerWaalsContact CB-SD 3.55Å; T916-M925 HydrophobicContact CG2-SD 3.98Å; T916-M925 WeakPolarHBondContact OG1-CG 3.47Å; T916-M925 PolarHBondContact OG1-SD 2.87Å |
| 917 | N | 79.9 | Confident | 87.2 | Confident | 19 Ų | 19 | 25.3 Ų | 25.3 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 101.3 | -158.6 | -168.6 | 50.2 | 0 | 0 | 0 | 113.8 | F913 R919 I923 M925 | F913-N917 HydrophobicContact CD1-CB 4.22Å; F913-N917 HydrophobicContact CD2-CB 3.57Å; F913-N917 HydrophobicContact CE1-CB 4.15Å; F913-N917 HydrophobicContact CE2-CB 3.51Å; F913-N917 VanDerWaalsContact CE2-CG 3.47Å; F913-N917 WeakPolarHBondContact CE2-ND2 3.41Å; F913-N917 HydrophobicContact CG-CB 3.97Å; F913-N917 HydrophobicContact CZ-CB 3.83Å; F913-N917 WeakPolarHBondContact CZ-ND2 3.37Å; F913-N917 WeakPolarHBondContact O-CB 3.29Å; F913-N917 PolarHBondContact O-N 2.88Å; N917-R919 WeakPolarHBondContact O-CG 3.13Å; N917-R919 PolarHBondContact O-N 2.76Å; N917-I923 VanDerWaalsContact CA-O 3.25Å; N917-I923 WeakPolarHBondContact CA-O 3.38Å; N917-M925 HydrophobicContact CB-CB 4.22Å; N917-M925 HydrophobicContact CB-CG 3.89Å; N917-M925 PolarHBondContact OD1-N 2.94Å |
| 918 | Y | 69.8 | Low | 85.4 | Confident | 113 Ų | 113 | 27.2 Ų | 27.2 | 44% | 0.443 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 17.3 | -179.4 | -58.9 | -72.8 | 0 | 0 | 0 | 115.5 | T916 R922 Q924 | T916-Y918 PolarHBondContact O-N 2.91Å; T916-Y918 VanDerWaalsContact O-N 3.08Å; Y918-R922 HydrophobicContact CD1-CG 4.29Å; Y918-Q924 HydrophobicContact CE2-CB 4.41Å; Y918-Q924 HydrophobicContact CE2-CG 4.17Å; Y918-Q924 WeakPolarHBondContact OH-CG 3.43Å; Y918-Q924 PolarHBondContact OH-OE1 2.96Å |
| 919 | R | 80.3 | Confident | 83.2 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 14% | 0.143 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -108.6 | -115.5 | 175.6 | -59.2 | -162.8 | -172.6 | 175.9 | -5.2 | 109.1 | A460 K462 N508 S914 N917 | A460-R919 PolarHBondContact O-NH1 3.3Å; A460-R919 PolarHBondContact O-NH2 2.68Å; K462-R919 HydrophobicContact CB-CB 4.27Å; K462-R919 HydrophobicContact CB-CG 3.94Å; N508-R919 PolarHBondContact ND2-O 3.31Å; N508-R919 VanDerWaalsContact ND2-O 3.11Å; S914-R919 WeakPolarHBondContact O-CB 3.47Å; S914-R919 VanDerWaalsContact O-CD 3.28Å; S914-R919 WeakPolarHBondContact O-CD 3.29Å; S914-R919 PolarHBondContact OG-NH1 3.48Å; S914-R919 VanDerWaalsContact OG-NH1 3.09Å; N917-R919 WeakPolarHBondContact O-CG 3.13Å; N917-R919 PolarHBondContact O-N 2.76Å |
| 920 | L | 87.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -64.9 | -58.8 | -171.1 | -176.4 | 63.8 | 0 | 0 | 0 | 113.2 | F505 N508 V509 L858 V870 I915 | F505-L920 HydrophobicContact CD2-CD1 4.09Å; F505-L920 HydrophobicContact CD2-CG 4.2Å; F505-L920 HydrophobicContact CE2-CD1 3.69Å; F505-L920 HydrophobicContact CE2-CD2 4.19Å; F505-L920 HydrophobicContact CE2-CG 3.76Å; F505-L920 HydrophobicContact CZ-CD1 4.47Å; N508-L920 PolarHBondContact ND2-O 3.21Å; N508-L920 VanDerWaalsContact ND2-O 3.1Å; V509-L920 VanDerWaalsContact CA-CD1 3.48Å; V509-L920 HydrophobicContact CB-CD1 3.41Å; V509-L920 VanDerWaalsContact CB-CD1 3.41Å; V509-L920 HydrophobicContact CG2-CD1 3.56Å; L858-L920 HydrophobicContact CD2-CD2 3.75Å; V870-L920 HydrophobicContact CB-CD2 4.41Å; V870-L920 HydrophobicContact CG1-CD2 3.95Å; V870-L920 HydrophobicContact CG2-CD2 4.11Å; I915-L920 HydrophobicContact CG2-CD2 4.38Å; I915-L920 WeakPolarHBondContact O-CB 3.36Å |
| 921 | L | 91.5 | Very high | 79 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -83.6 | -11.7 | -179 | -57.2 | -172.1 | 0 | 0 | 0 | 114.1 | R504 F505 F785 P867 V870 V871 L874 I915 T916 I923 | R504-L921 PolarHBondContact NH2-O 3.45Å; R504-L921 VanDerWaalsContact NH2-O 3.14Å; F505-L921 HydrophobicContact CD2-CD2 3.88Å; F505-L921 HydrophobicContact CE2-CD2 3.98Å; F785-L921 HydrophobicContact CD2-CD2 3.8Å; F785-L921 HydrophobicContact CE2-CD2 3.97Å; P867-L921 HydrophobicContact CB-CD2 4.5Å; V870-L921 HydrophobicContact CG2-CD2 3.94Å; V871-L921 HydrophobicContact CG2-CD1 4Å; L874-L921 HydrophobicContact CD1-CD1 3.74Å; I915-L921 HydrophobicContact CG2-CD1 4.25Å; I915-L921 HydrophobicContact CG2-CG 4.21Å; I915-L921 PolarHBondContact O-N 2.85Å; T916-L921 HydrophobicContact CG2-CD1 4.39Å; L921-I923 HydrophobicContact CB-CD1 3.85Å; L921-I923 HydrophobicContact CB-CG1 4.02Å; L921-I923 HydrophobicContact CD1-CD1 4.02Å; L921-I923 PolarHBondContact O-N 2.96Å |
| 922 | R | 87.2 | Confident | 76.6 | Confident | 72 Ų | 72 | 40.4 Ų | 40.4 | 27% | 0.272 | 18% | 0.184 | S | C | . | . | trans | 49.6 | 40.9 | -176.9 | -145 | 179.5 | -174.5 | -166.7 | -1.5 | 113.4 | G611 T916 Y918 | G611-R922 VanDerWaalsContact O-CD 3.23Å; G611-R922 WeakPolarHBondContact O-CD 3.44Å; G611-R922 PolarHBondContact O-NH1 3.11Å; T916-R922 WeakPolarHBondContact O-CA 3.35Å; T916-R922 PolarHBondContact O-N 2.83Å; T916-R922 VanDerWaalsContact O-N 3.16Å; Y918-R922 HydrophobicContact CD1-CG 4.29Å | ||
| 923 | I | 90.2 | Very high | 74.1 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | -92.3 | 120.8 | 174.9 | -66.6 | 167.9 | 0 | 0 | 0 | 107.8 | T778 I781 V782 T916 N917 L921 M925 | T778-I923 HydrophobicContact CG2-CD1 4.41Å; T778-I923 HydrophobicContact CG2-CG2 3.58Å; T778-I923 WeakPolarHBondContact OG1-CG2 3.28Å; I781-I923 HydrophobicContact CB-CG1 4.38Å; I781-I923 HydrophobicContact CD1-CG1 4Å; I781-I923 HydrophobicContact CG2-CD1 4.01Å; I781-I923 HydrophobicContact CG2-CG1 4.01Å; V782-I923 HydrophobicContact CG2-CD1 3.72Å; T916-I923 CarbonylContact C-O 3.6Å; T916-I923 HydrophobicContact CG2-CD1 4.45Å; T916-I923 PolarHBondContact O-N 3.22Å; N917-I923 VanDerWaalsContact CA-O 3.25Å; N917-I923 WeakPolarHBondContact CA-O 3.38Å; L921-I923 HydrophobicContact CB-CD1 3.85Å; L921-I923 HydrophobicContact CB-CG1 4.02Å; L921-I923 HydrophobicContact CD1-CD1 4.02Å; L921-I923 PolarHBondContact O-N 2.96Å; I923-M925 HydrophobicContact CG2-SD 3.81Å; I923-M925 PolarHBondContact O-N 3.29Å; I923-M925 VanDerWaalsContact O-N 3.1Å | ||
| 924 | Q | 87.2 | Confident | 71.7 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | trans | -66.6 | 110.5 | 173.7 | -178.9 | 176 | 2.3 | 0 | 0 | 109.5 | C774 Q812 Y918 | C774-Q924 PolarHBondContact SG-O 3.05Å; Q812-Q924 PolarHBondContact NE2-O 3.37Å; Y918-Q924 HydrophobicContact CE2-CB 4.41Å; Y918-Q924 HydrophobicContact CE2-CG 4.17Å; Y918-Q924 WeakPolarHBondContact OH-CG 3.43Å; Y918-Q924 PolarHBondContact OH-OE1 2.96Å | ||
| 925 | M | 87.1 | Confident | 69.3 | Low | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | -85 | 124.9 | 178.8 | -62.7 | -58.3 | -63.5 | 0 | 0 | 110 | H815 Q912 T916 N917 I923 Q930 | H815-M925 HydrophobicContact CB-CE 3.22Å; Q912-M925 HydrophobicContact CG-CE 4.48Å; T916-M925 VanDerWaalsContact CB-SD 3.55Å; T916-M925 HydrophobicContact CG2-SD 3.98Å; T916-M925 WeakPolarHBondContact OG1-CG 3.47Å; T916-M925 PolarHBondContact OG1-SD 2.87Å; N917-M925 HydrophobicContact CB-CB 4.22Å; N917-M925 HydrophobicContact CB-CG 3.89Å; N917-M925 PolarHBondContact OD1-N 2.94Å; I923-M925 HydrophobicContact CG2-SD 3.81Å; I923-M925 PolarHBondContact O-N 3.29Å; I923-M925 VanDerWaalsContact O-N 3.1Å; M925-Q930 PolarHBondContact O-OE1 2.98Å | ||
| 926 | L | 81.4 | Confident | 66.7 | Low | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | trans | -77 | 127.8 | -179.8 | -62.7 | 169.5 | 0 | 0 | 0 | 110.3 | V771 C774 L775 H815 | V771-L926 HydrophobicContact CG1-CD1 3.8Å; C774-L926 HydrophobicContact CB-CD1 4.42Å; C774-L926 HydrophobicContact CB-CD2 4.14Å; C774-L926 HydrophobicContact CB-CG 4.47Å; L775-L926 HydrophobicContact CD2-CD1 4.43Å; H815-L926 PolarHBondContact CD2-O 2.85Å | ||
| 927 | C | 68.2 | Low | 64.1 | Low | 24 Ų | 24 | 57.6 Ų | 57.6 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | trans | -108.8 | 156.4 | 167.4 | 77.9 | 0 | 0 | 0 | 0 | 112.3 | T819 R929 Q930 L931 | T819-C927 HydrophobicContact CG2-CB 3.99Å; C927-R929 PolarHBondContact O-N 3.26Å; C927-Q930 PolarHBondContact O-N 2.82Å; C927-Q930 VanDerWaalsContact O-N 3.15Å; C927-Q930 VanDerWaalsContact SG-CB 3.56Å; C927-Q930 WeakPolarHBondContact SG-CG 3.39Å; C927-Q930 PolarHBondContact SG-N 2.63Å; C927-L931 PolarHBondContact O-N 2.82Å | ||
| 928 | A | 56.5 | Low | 62 | Low | 40 Ų | 40 | 62.2 Ų | 62.2 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.1 | -36.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q932 | A928-Q932 PolarHBondContact O-N 2.92Å |
| 929 | R | 49.7 | Very low | 60.2 | Low | 159 Ų | 159 | 61.7 Ų | 61.7 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.8 | -34 | 175.2 | -85.5 | -175.4 | 175.3 | -176.7 | 1 | 114.5 | C927 L931 Q932 H933 | C927-R929 PolarHBondContact O-N 3.26Å; R929-L931 VanDerWaalsContact C-N 3.26Å; R929-L931 PolarHBondContact O-N 3.29Å; R929-Q932 CarbonylContact O-C 3.48Å; R929-Q932 PolarHBondContact O-N 3.45Å; R929-Q932 VanDerWaalsContact O-N 3.1Å; R929-H933 PolarHBondContact O-N 3.12Å |
| 930 | Q | 50.2 | Low | 57.8 | Low | 67 Ų | 67 | 67.3 Ų | 67.3 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 175.4 | -86.5 | 170.7 | -8.7 | 0 | 0 | 110.2 | M925 C927 Q932 H933 L934 | M925-Q930 PolarHBondContact O-OE1 2.98Å; C927-Q930 PolarHBondContact O-N 2.82Å; C927-Q930 VanDerWaalsContact O-N 3.15Å; C927-Q930 VanDerWaalsContact SG-CB 3.56Å; C927-Q930 WeakPolarHBondContact SG-CG 3.39Å; C927-Q930 PolarHBondContact SG-N 2.63Å; Q930-Q932 VanDerWaalsContact C-N 3.34Å; Q930-Q932 PolarHBondContact O-N 3.37Å; Q930-H933 PolarHBondContact O-N 3.07Å; Q930-L934 VanDerWaalsContact O-CB 3.28Å; Q930-L934 WeakPolarHBondContact O-CB 3.5Å; Q930-L934 VanDerWaalsContact O-CD1 3.29Å; Q930-L934 WeakPolarHBondContact O-CD1 3.45Å; Q930-L934 WeakPolarHBondContact O-CG 3.44Å; Q930-L934 PolarHBondContact O-N 3.07Å |
| 931 | L | 46 | Very low | 55 | Low | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 170.9 | -67.6 | 164.5 | 0 | 0 | 0 | 111.6 | V763 L767 V771 C927 R929 A935 | V763-L931 HydrophobicContact CG1-CD2 4.19Å; V763-L931 HydrophobicContact CG2-CD1 3.87Å; V763-L931 HydrophobicContact CG2-CD2 4.01Å; L767-L931 HydrophobicContact CD1-CB 4.2Å; L767-L931 HydrophobicContact CD1-CD2 3.99Å; L767-L931 WeakPolarHBondContact CD1-O 3.35Å; V771-L931 HydrophobicContact CG2-CD2 3.31Å; C927-L931 PolarHBondContact O-N 2.82Å; R929-L931 VanDerWaalsContact C-N 3.26Å; R929-L931 PolarHBondContact O-N 3.29Å; L931-A935 WeakPolarHBondContact O-CB 3.22Å; L931-A935 PolarHBondContact O-N 3.41Å |
| 932 | Q | 42.6 | Very low | 52.1 | Low | 118 Ų | 118 | 77.2 Ų | 77.2 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68 | -37.9 | 175.6 | -71.7 | -179.1 | -21.3 | 0 | 0 | 113.8 | A928 R929 Q930 A935 R936 | A928-Q932 PolarHBondContact O-N 2.92Å; R929-Q932 CarbonylContact O-C 3.48Å; R929-Q932 PolarHBondContact O-N 3.45Å; R929-Q932 VanDerWaalsContact O-N 3.1Å; Q930-Q932 VanDerWaalsContact C-N 3.34Å; Q930-Q932 PolarHBondContact O-N 3.37Å; Q932-A935 PolarHBondContact O-N 2.88Å; Q932-R936 WeakPolarHBondContact O-CG 3.37Å; Q932-R936 PolarHBondContact O-N 3.43Å |
| 933 | H | 39.6 | Very low | 49.2 | Very low | 122 Ų | 122 | 78.8 Ų | 78.8 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.2 | -37.1 | 176.9 | -97.9 | -73.6 | 0 | 0 | 0 | 112.1 | R929 Q930 R936 G937 | R929-H933 PolarHBondContact O-N 3.12Å; Q930-H933 PolarHBondContact O-N 3.07Å; H933-R936 PolarHBondContact O-N 3.07Å; H933-G937 PolarHBondContact O-N 3.22Å |
| 934 | L | 38.9 | Very low | 46.3 | Very low | 53 Ų | 53 | 83.3 Ų | 83.3 | 28% | 0.277 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 173.2 | -70.5 | 162.5 | 0 | 0 | 0 | 111 | L767 Q770 Q930 R936 G937 L938 | L767-L934 HydrophobicContact CD2-CB 3.72Å; Q770-L934 VanDerWaalsContact CD-CD1 3.42Å; Q770-L934 VanDerWaalsContact OE1-CD1 3.24Å; Q770-L934 VanDerWaalsContact OE1-CD2 3.28Å; Q930-L934 VanDerWaalsContact O-CB 3.28Å; Q930-L934 WeakPolarHBondContact O-CB 3.5Å; Q930-L934 VanDerWaalsContact O-CD1 3.29Å; Q930-L934 WeakPolarHBondContact O-CD1 3.45Å; Q930-L934 WeakPolarHBondContact O-CG 3.44Å; Q930-L934 PolarHBondContact O-N 3.07Å; L934-R936 PolarHBondContact O-N 3.01Å; L934-G937 PolarHBondContact O-N 3.25Å; L934-L938 PolarHBondContact O-N 3.08Å |
| 935 | A | 39.4 | Very low | 43.3 | Very low | 15 Ų | 15 | 86.6 Ų | 86.6 | 12% | 0.124 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L767 L931 Q932 G937 L938 L939 | L767-A935 HydrophobicContact CD1-CB 4.25Å; L931-A935 WeakPolarHBondContact O-CB 3.22Å; L931-A935 PolarHBondContact O-N 3.41Å; Q932-A935 PolarHBondContact O-N 2.88Å; A935-G937 VanDerWaalsContact C-N 3.32Å; A935-G937 PolarHBondContact O-N 3.31Å; A935-L938 PolarHBondContact O-N 3.41Å; A935-L939 HydrophobicContact CB-CD1 4.13Å; A935-L939 WeakPolarHBondContact O-CB 3.27Å; A935-L939 WeakPolarHBondContact O-CD1 3.32Å; A935-L939 WeakPolarHBondContact O-CG 3.48Å; A935-L939 PolarHBondContact O-N 3.24Å |
| 936 | R | 37.4 | Very low | 40.3 | Very low | 175 Ų | 175 | 93.9 Ų | 93.9 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.9 | -30.6 | 177.3 | -76.7 | 176.6 | -177.1 | 176.5 | -0.5 | 114 | Q932 H933 L934 L938 | Q932-R936 WeakPolarHBondContact O-CG 3.37Å; Q932-R936 PolarHBondContact O-N 3.43Å; H933-R936 PolarHBondContact O-N 3.07Å; L934-R936 PolarHBondContact O-N 3.01Å; R936-L938 VanDerWaalsContact C-N 3.31Å |
| 937 | G | 36.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 105 Ų | 105 | 74% | 0.742 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74 | -21.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H933 L934 A935 | H933-G937 PolarHBondContact O-N 3.22Å; L934-G937 PolarHBondContact O-N 3.25Å; A935-G937 VanDerWaalsContact C-N 3.32Å; A935-G937 PolarHBondContact O-N 3.31Å |
| 938 | L | 35.2 | Very low | 35.3 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -101 | -21.5 | -180 | -83.2 | 155.2 | 0 | 0 | 0 | 113.3 | L767 L934 A935 R936 L940 | L767-L938 HydrophobicContact CD2-CD1 4.11Å; L934-L938 PolarHBondContact O-N 3.08Å; A935-L938 PolarHBondContact O-N 3.41Å; R936-L938 VanDerWaalsContact C-N 3.31Å; L938-L940 PolarHBondContact O-N 3.18Å |
| 939 | L | 31.7 | Very low | 33.7 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | trans | -88.4 | 107.4 | -177.2 | -72.4 | 163.5 | 0 | 0 | 0 | 111 | A935 | A935-L939 HydrophobicContact CB-CD1 4.13Å; A935-L939 WeakPolarHBondContact O-CB 3.27Å; A935-L939 WeakPolarHBondContact O-CD1 3.32Å; A935-L939 WeakPolarHBondContact O-CG 3.48Å; A935-L939 PolarHBondContact O-N 3.24Å | ||
| 940 | L | 29.5 | Very low | 32.5 | Very low | 157 Ų | 157 | 120.6 Ų | 120.6 | 82% | 0.822 | 64% | 0.641 | S | S | * | * | trans | -44.1 | 143.7 | 156.7 | -73.8 | 160.9 | 0 | 0 | 0 | 110.2 | L938 G942 | L938-L940 PolarHBondContact O-N 3.18Å; L940-G942 PolarHBondContact O-N 3.43Å; L940-G942 VanDerWaalsContact O-N 3.13Å | ||
| 941 | P | 29.8 | Very low | 31.3 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -67.8 | 115.4 | -170 | 27.7 | -32.3 | 0 | 0 | 0 | 110.4 | ||
| 942 | G | 29.7 | Very low | 30.4 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | 125 | 72.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L940 | L940-G942 PolarHBondContact O-N 3.43Å; L940-G942 VanDerWaalsContact O-N 3.13Å | ||
| 943 | S | 27 | Very low | 29.5 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | -155.9 | 113.5 | 142.1 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | C945 | S943-C945 PolarHBondContact O-N 2.92Š| ||
| 944 | A | 28.8 | Very low | 28.8 | Very low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 70% | 0.703 | S | S | * | * | trans | -64.4 | 130.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q946 | A944-Q946 PolarHBondContact O-N 3.39Š| ||
| 945 | C | 24.8 | Very low | 28.3 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | trans | -52.1 | 98.9 | 176.6 | -123.1 | 0 | 0 | 0 | 0 | 110.7 | S943 R947 | S943-C945 PolarHBondContact O-N 2.92Å; C945-R947 PolarHBondContact O-N 3.48Å | ||
| 946 | Q | 24.5 | Very low | 27.8 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 125.9 | 163.4 | -83.7 | -176.5 | -16.9 | 0 | 0 | 108.2 | A944 W948 | A944-Q946 PolarHBondContact O-N 3.39Å; Q946-W948 PolarHBondContact O-N 2.96Å; Q946-W948 VanDerWaalsContact O-N 3.07Å | ||
| 947 | R | 21.2 | Very low | 27.5 | Very low | 251 Ų | 251 | 140.5 Ų | 140.5 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | trans | -63.9 | 104.6 | 166.9 | -97.2 | 177.7 | 170.4 | 165.1 | -2.7 | 107.9 | C945 K949 | C945-R947 PolarHBondContact O-N 3.48Å; R947-K949 PolarHBondContact O-N 2.83Å | ||
| 948 | W | 23.3 | Very low | 27.5 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -72.5 | 107.5 | 164.4 | -67.5 | 86.3 | 0 | 0 | 0 | 108.2 | Q946 H950 | Q946-W948 PolarHBondContact O-N 2.96Å; Q946-W948 VanDerWaalsContact O-N 3.07Å; W948-H950 PolarHBondContact O-N 3.47Å | ||
| 949 | K | 22.9 | Very low | 27.5 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -73.8 | 112.6 | 161.8 | -154 | -177.5 | -176.7 | -169.6 | 0 | 104.6 | R947 D951 | R947-K949 PolarHBondContact O-N 2.83Å; K949-D951 PolarHBondContact O-N 2.9Å | ||
| 950 | H | 24.3 | Very low | 27.7 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -69 | 105.8 | 176.1 | -89.1 | -76.6 | 0 | 0 | 0 | 108.7 | W948 F952 | W948-H950 PolarHBondContact O-N 3.47Å; H950-F952 HydrophobicContact CB-CD2 4.33Å; H950-F952 AromaticContact ND1-CE2 3.91Å; H950-F952 PolarHBondContact O-N 3.46Å | ||
| 951 | D | 24.6 | Very low | 28.2 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -73.3 | 75.5 | 165.3 | -68.1 | -30.5 | 0 | 0 | 0 | 108.7 | K949 | K949-D951 PolarHBondContact O-N 2.9Š| ||
| 952 | F | 26.3 | Very low | 28.4 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | trans | -110.4 | 53.3 | 154.6 | -73.7 | -73.6 | 0 | 0 | 0 | 108.4 | H950 | H950-F952 HydrophobicContact CB-CD2 4.33Å; H950-F952 AromaticContact ND1-CE2 3.91Å; H950-F952 PolarHBondContact O-N 3.46Å | ||
| 953 | V | 25.2 | Very low | 28.9 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -83.6 | 109.7 | 152.7 | -174.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 954 | A | 24.8 | Very low | 29.1 | Very low | 82 Ų | 82 | 147.9 Ų | 147.9 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | trans | -53 | 130.4 | 170 | 0 | 0 | 0 | 0 | 0 | 107.5 | E956 | A954-E956 PolarHBondContact O-N 3.44Š| ||
| 955 | P | 28.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -52.8 | 128.9 | -177 | 18.1 | -29.1 | 0 | 0 | 0 | 109.1 | W957 | P955-W957 PolarHBondContact O-N 2.91Š| ||
| 956 | E | 28.2 | Very low | 30.3 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -47 | 108.7 | -176.7 | -71.6 | 179.1 | 163.6 | 0 | 0 | 109.3 | A954 N958 | A954-E956 PolarHBondContact O-N 3.44Å; E956-N958 PolarHBondContact O-N 3.25Å | ||
| 957 | W | 31 | Very low | 30.7 | Very low | 176 Ų | 176 | 140 Ų | 140 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | trans | -66.4 | 109 | 173.6 | 174 | 75 | 0 | 0 | 0 | 107.1 | P955 P959 | P955-W957 PolarHBondContact O-N 2.91Å; W957-P959 HydrophobicContact CE3-CB 4.24Å; W957-P959 HydrophobicContact CE3-CG 4.39Å; W957-P959 HydrophobicContact CH2-CB 3.61Å; W957-P959 HydrophobicContact CH2-CG 4.49Å; W957-P959 HydrophobicContact CZ2-CB 4.12Å; W957-P959 HydrophobicContact CZ3-CB 3.67Å; W957-P959 HydrophobicContact CZ3-CG 4.06Å; W957-P959 WeakPolarHBondContact O-CD 3.46Å | ||
| 958 | N | 36.2 | Very low | 31.4 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 42% | 0.417 | 68% | 0.68 | S | S | . | * | trans | -85.6 | 106 | 173.2 | -174.8 | -12.4 | 0 | 0 | 0 | 109 | E956 E960 N961 | E956-N958 PolarHBondContact O-N 3.25Å; N958-E960 PolarHBondContact O-N 3.04Å; N958-E960 VanDerWaalsContact O-N 3.09Å; N958-E960 VanDerWaalsContact OD1-CB 3.31Å; N958-E960 WeakPolarHBondContact OD1-CB 3.36Å; N958-E960 WeakPolarHBondContact OD1-CG 3.42Å; N958-E960 PolarHBondContact OD1-N 3.23Å; N958-N961 PolarHBondContact O-N 3.21Å | ||
| 959 | P | 35.9 | Very low | 31.9 | Very low | 82 Ų | 82 | 130 Ų | 130 | 53% | 0.532 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -59.2 | -18 | 178.4 | 18.9 | -29.3 | 0 | 0 | 0 | 114.2 | W957 N961 | W957-P959 HydrophobicContact CE3-CB 4.24Å; W957-P959 HydrophobicContact CE3-CG 4.39Å; W957-P959 HydrophobicContact CH2-CB 3.61Å; W957-P959 HydrophobicContact CH2-CG 4.49Å; W957-P959 HydrophobicContact CZ2-CB 4.12Å; W957-P959 HydrophobicContact CZ3-CB 3.67Å; W957-P959 HydrophobicContact CZ3-CG 4.06Å; W957-P959 WeakPolarHBondContact O-CD 3.46Å; P959-N961 VanDerWaalsContact C-N 3.32Å; P959-N961 PolarHBondContact O-N 3.48Å |
| 960 | E | 34.7 | Very low | 32.3 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -71.7 | -25.4 | -179.3 | -61.6 | -170 | 157.9 | 0 | 0 | 113.1 | N958 | N958-E960 PolarHBondContact O-N 3.04Å; N958-E960 VanDerWaalsContact O-N 3.09Å; N958-E960 VanDerWaalsContact OD1-CB 3.31Å; N958-E960 WeakPolarHBondContact OD1-CB 3.36Å; N958-E960 WeakPolarHBondContact OD1-CG 3.42Å; N958-E960 PolarHBondContact OD1-N 3.23Å |
| 961 | N | 40.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -102.9 | 5.2 | -170.3 | -81.1 | -16.5 | 0 | 0 | 0 | 115.6 | N958 P959 | N958-N961 PolarHBondContact O-N 3.21Å; P959-N961 VanDerWaalsContact C-N 3.32Å; P959-N961 PolarHBondContact O-N 3.48Å |
| 962 | S | 35.1 | Very low | 32.8 | Very low | 48 Ų | 48 | 131.6 Ų | 131.6 | 34% | 0.336 | 67% | 0.672 | S | S | . | * | trans | -117.2 | 79.6 | -177.9 | 164.7 | 0 | 0 | 0 | 0 | 111.1 | Y964 | S962-Y964 PolarHBondContact O-N 3.46Š| ||
| 963 | K | 38.5 | Very low | 32.9 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 83% | 0.83 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -63.4 | -18.8 | 175 | -111.4 | -176.4 | -178.1 | 177.4 | 0 | 114 | ||
| 964 | Y | 33 | Very low | 33 | Very low | 205 Ų | 205 | 138 Ų | 138 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -141.4 | 104 | 174.5 | -58.9 | -75.7 | 0 | 0 | 0 | 107.9 | S962 | S962-Y964 PolarHBondContact O-N 3.46Š|
| 965 | G | 41.9 | Very low | 33.3 | Very low | 48 Ų | 48 | 141.2 Ų | 141.2 | 50% | 0.495 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 153.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T967 | G965-T967 PolarHBondContact O-N 3.45Š|
| 966 | P | 35.8 | Very low | 33.5 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 62% | 0.623 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.9 | -169.1 | 22.4 | -31.8 | 0 | 0 | 0 | 112.1 | ||
| 967 | T | 32.8 | Very low | 33.5 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 49% | 0.485 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 153 | -177.2 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | G965 E969 K970 | G965-T967 PolarHBondContact O-N 3.45Å; T967-E969 VanDerWaalsContact CB-OE2 3.27Å; T967-E969 WeakPolarHBondContact CB-OE2 3.34Å; T967-E969 PolarHBondContact O-N 3.47Å; T967-E969 PolarHBondContact OG1-OE2 3.05Å; T967-K970 PolarHBondContact O-N 3.45Å; T967-K970 VanDerWaalsContact O-N 3.11Å |
| 968 | P | 36 | Very low | 33.3 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -55.4 | -23.3 | -173.7 | -27.2 | 35.7 | 0 | 0 | 0 | 115.3 | K970 W971 | P968-K970 PolarHBondContact O-N 3.11Å; P968-K970 VanDerWaalsContact O-N 3.16Å; P968-W971 WeakPolarHBondContact O-CB 3.39Å; P968-W971 PolarHBondContact O-N 2.86Å; P968-W971 VanDerWaalsContact O-N 3.1Å |
| 969 | E | 33.4 | Very low | 32.9 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -63.3 | -22.2 | 179.2 | -57.7 | 94.1 | -168.3 | 0 | 0 | 113 | T967 | T967-E969 VanDerWaalsContact CB-OE2 3.27Å; T967-E969 WeakPolarHBondContact CB-OE2 3.34Å; T967-E969 PolarHBondContact O-N 3.47Å; T967-E969 PolarHBondContact OG1-OE2 3.05Å |
| 970 | K | 32.9 | Very low | 32.5 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -88 | 3.5 | 176.8 | -74.8 | -171.1 | 175.8 | -178.4 | 0 | 114.9 | T967 P968 | T967-K970 PolarHBondContact O-N 3.45Å; T967-K970 VanDerWaalsContact O-N 3.11Å; P968-K970 PolarHBondContact O-N 3.11Å; P968-K970 VanDerWaalsContact O-N 3.16Å |
| 971 | W | 31.3 | Very low | 32.2 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -85.9 | -3.9 | -175.6 | -77.2 | 62.2 | 0 | 0 | 0 | 115.2 | P968 Y973 V978 | P968-W971 WeakPolarHBondContact O-CB 3.39Å; P968-W971 PolarHBondContact O-N 2.86Å; P968-W971 VanDerWaalsContact O-N 3.1Å; W971-Y973 VanDerWaalsContact C-N 3.34Å; W971-Y973 PolarHBondContact O-N 2.74Å; W971-V978 HydrophobicContact CH2-CG2 4.32Å; W971-V978 HydrophobicContact CZ3-CG2 4.16Å |
| 972 | Q | 27.6 | Very low | 31.8 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 0.8 | -168.2 | -84.7 | -169.9 | -9 | 0 | 0 | 117.2 | ||
| 973 | Y | 27.3 | Very low | 31.6 | Very low | 205 Ų | 205 | 141.4 Ų | 141.4 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | 52 | -177.9 | -84.6 | -78.6 | 0 | 0 | 0 | 115.5 | W971 | W971-Y973 VanDerWaalsContact C-N 3.34Å; W971-Y973 PolarHBondContact O-N 2.74Å |
| 974 | Y | 28.8 | Very low | 31.3 | Very low | 226 Ų | 226 | 139 Ų | 139 | 89% | 0.886 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -146.7 | 125 | 160.2 | -80.5 | -76.4 | 0 | 0 | 0 | 111.3 | N976 | Y974-N976 PolarHBondContact O-N 2.98Š|
| 975 | D | 29.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -50.6 | 93.6 | -179.3 | -78.2 | -46.9 | 0 | 0 | 0 | 113.4 | I977 | D975-I977 VanDerWaalsContact C-N 3.34Å; D975-I977 PolarHBondContact O-N 3.43Å | ||
| 976 | N | 32.1 | Very low | 31 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 32.7 | 47.4 | 149.9 | -67.8 | -46.2 | 0 | 0 | 0 | 118.5 | Y974 | Y974-N976 PolarHBondContact O-N 2.98Š|
| 977 | I | 28.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 68% | 0.677 | 72% | 0.721 | S | S | * | * | trans | -115.1 | 110.5 | 166.2 | -62.7 | 172.2 | 0 | 0 | 0 | 108.1 | D975 | D975-I977 VanDerWaalsContact C-N 3.34Å; D975-I977 PolarHBondContact O-N 3.43Å | ||
| 978 | V | 27.8 | Very low | 30.5 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | trans | -120.4 | 115.4 | 167.2 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | W971 | W971-V978 HydrophobicContact CH2-CG2 4.32Å; W971-V978 HydrophobicContact CZ3-CG2 4.16Å | ||
| 979 | W | 27.6 | Very low | 30.3 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 131.4 | 172.1 | -68.3 | 92.6 | 0 | 0 | 0 | 109.6 | ||
| 980 | P | 27.6 | Very low | 30.1 | Very low | 95 Ų | 95 | 143 Ų | 143 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132.3 | 170.8 | 23.5 | -23.2 | 0 | 0 | 0 | 110.5 | ||
| 981 | P | 27.9 | Very low | 29.8 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -72.2 | 144.2 | 178.6 | 28 | -32.3 | 0 | 0 | 0 | 111.7 | ||
| 982 | N | 31 | Very low | 29.6 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | trans | 81.2 | 47.8 | 172.2 | -48.6 | -27.2 | 0 | 0 | 0 | 118 | D984 | N982-D984 PolarHBondContact O-N 3.13Å; N982-D984 VanDerWaalsContact O-N 3.13Å | ||
| 983 | C | 30.9 | Very low | 29.6 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -82.1 | 65.9 | 158.7 | -69.2 | 0 | 0 | 0 | 0 | 110.4 | D985 | C983-D985 PolarHBondContact O-N 3.23Š| ||
| 984 | D | 33.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -81.7 | 13.9 | -179.3 | -84.8 | -23.4 | 0 | 0 | 0 | 114.3 | N982 G986 | N982-D984 PolarHBondContact O-N 3.13Å; N982-D984 VanDerWaalsContact O-N 3.13Å; D984-G986 PolarHBondContact O-N 2.9Å; D984-G986 VanDerWaalsContact O-N 3.13Å | ||
| 985 | D | 35.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -87.3 | 22.5 | -174.1 | -69.2 | 0.8 | 0 | 0 | 0 | 113.8 | C983 K987 | C983-D985 PolarHBondContact O-N 3.23Å; D985-K987 PolarHBondContact O-N 3.44Å |
| 986 | G | 33.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 60.5 | 5.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D984 | D984-G986 PolarHBondContact O-N 2.9Å; D984-G986 VanDerWaalsContact O-N 3.13Å |
| 987 | K | 28.9 | Very low | 29.4 | Very low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | -102.8 | 110.9 | 179.8 | -71.2 | 177.9 | -174.5 | 175 | 0 | 108.6 | D985 P989 | D985-K987 PolarHBondContact O-N 3.44Å; K987-P989 WeakPolarHBondContact O-CD 3.37Å; K987-P989 VanDerWaalsContact O-N 3.12Å | ||
| 988 | K | 28.2 | Very low | 29.5 | Very low | 201 Ų | 201 | 137 Ų | 137 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -46 | 118.3 | 172 | -71.7 | -178.6 | 176.7 | 179.1 | 0 | 109.1 | G990 | K988-G990 PolarHBondContact O-N 3.27Š|
| 989 | P | 32.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.6 | -177 | -4.6 | 13.2 | 0 | 0 | 0 | 109.2 | K987 | K987-P989 WeakPolarHBondContact O-CD 3.37Å; K987-P989 VanDerWaalsContact O-N 3.12Å |
| 990 | G | 29.1 | Very low | 30.1 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 138 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | K988 V992 | K988-G990 PolarHBondContact O-N 3.27Å; G990-V992 PolarHBondContact O-N 3.06Å |
| 991 | E | 27 | Very low | 30.5 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 119.8 | -178.7 | -61 | 172 | 162.9 | 0 | 0 | 112 | F993 | E991-F993 HydrophobicContact CB-CD2 4.39Å; E991-F993 HydrophobicContact CB-CE2 3.65Å; E991-F993 HydrophobicContact CB-CZ 3.99Å; E991-F993 WeakPolarHBondContact O-CD2 3.33Å; E991-F993 WeakPolarHBondContact OE2-CZ 3.49Å |
| 992 | V | 26.6 | Very low | 31 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 117 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | G990 | G990-V992 PolarHBondContact O-N 3.06Š|
| 993 | F | 26.6 | Very low | 31.3 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 75% | 0.746 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 117.2 | 178.6 | -65.8 | -89.9 | 0 | 0 | 0 | 110.5 | E991 | E991-F993 HydrophobicContact CB-CD2 4.39Å; E991-F993 HydrophobicContact CB-CE2 3.65Å; E991-F993 HydrophobicContact CB-CZ 3.99Å; E991-F993 WeakPolarHBondContact O-CD2 3.33Å; E991-F993 WeakPolarHBondContact OE2-CZ 3.49Å |
| 994 | H | 26.5 | Very low | 31.7 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 117.2 | 167.7 | -115.8 | -86.9 | 0 | 0 | 0 | 109.9 | ||
| 995 | C | 25.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | -124.4 | 110.2 | 171.3 | -130.1 | 0 | 0 | 0 | 0 | 107.9 | E997 | C995-E997 PolarHBondContact O-N 3.19Å; C995-E997 VanDerWaalsContact O-N 3.17Å | ||
| 996 | R | 29.9 | Very low | 32.3 | Very low | 244 Ų | 244 | 131.6 Ų | 131.6 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -18.5 | -170.1 | -154.4 | 176.8 | -174.2 | -179.4 | 1.5 | 113.6 | ||
| 997 | E | 32.7 | Very low | 32.8 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 0.4 | -163.1 | -75.9 | -173.7 | 164.8 | 0 | 0 | 117.9 | C995 | C995-E997 PolarHBondContact O-N 3.19Å; C995-E997 VanDerWaalsContact O-N 3.17Å |
| 998 | N | 30.7 | Very low | 33.4 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 49% | 0.487 | 69% | 0.694 | S | S | . | * | trans | -152.4 | 81.7 | 172.7 | -77.7 | -66.3 | 0 | 0 | 0 | 114.4 | K1000 Y1001 | N998-K1000 PolarHBondContact O-N 3.28Å; N998-Y1001 HydrophobicContact CB-CD2 3.6Å; N998-Y1001 HydrophobicContact CB-CE2 4.29Å; N998-Y1001 PolarHBondContact O-N 3.25Å | ||
| 999 | V | 33.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -55.8 | -33.1 | 170.1 | 178 | 0 | 0 | 0 | 0 | 111.6 | Y1001 T1002 E1003 | V999-Y1001 VanDerWaalsContact C-N 3.29Å; V999-Y1001 PolarHBondContact O-N 3.47Å; V999-T1002 PolarHBondContact O-N 3.44Å; V999-E1003 WeakPolarHBondContact O-CG 3.32Å |
| 1000 | K | 35.1 | Very low | 34.5 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60 | -27.8 | 180 | -70.3 | -173.2 | 178.1 | -177.8 | 0 | 115.4 | N998 | N998-K1000 PolarHBondContact O-N 3.28Å |
| 1001 | Y | 36.7 | Very low | 35.4 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -89.4 | -26.6 | -178.1 | -72.8 | -67.6 | 0 | 0 | 0 | 113.1 | N998 V999 E1003 A1004 | N998-Y1001 HydrophobicContact CB-CD2 3.6Å; N998-Y1001 HydrophobicContact CB-CE2 4.29Å; N998-Y1001 PolarHBondContact O-N 3.25Å; V999-Y1001 VanDerWaalsContact C-N 3.29Å; V999-Y1001 PolarHBondContact O-N 3.47Å; Y1001-E1003 VanDerWaalsContact C-N 3.26Å; Y1001-E1003 PolarHBondContact O-N 2.95Å; Y1001-A1004 PolarHBondContact O-N 3.07Å |
| 1002 | T | 37.1 | Very low | 36.2 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 43% | 0.429 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.4 | -30.1 | 176.5 | -42.5 | 0 | 0 | 0 | 0 | 111 | V999 A1004 I1005 | V999-T1002 PolarHBondContact O-N 3.44Å; T1002-A1004 PolarHBondContact O-N 3.38Å; T1002-I1005 PolarHBondContact O-N 2.96Å |
| 1003 | E | 37.2 | Very low | 37 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -29.9 | 176.4 | -72.3 | 167.2 | -175.7 | 0 | 0 | 114.1 | V999 Y1001 | V999-E1003 WeakPolarHBondContact O-CG 3.32Å; Y1001-E1003 VanDerWaalsContact C-N 3.26Å; Y1001-E1003 PolarHBondContact O-N 2.95Å |
| 1004 | A | 40.9 | Very low | 38.1 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -19.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1001 T1002 | Y1001-A1004 PolarHBondContact O-N 3.07Å; T1002-A1004 PolarHBondContact O-N 3.38Å |
| 1005 | I | 42 | Very low | 39.2 | Very low | 139 Ų | 139 | 118 Ų | 118 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -27.5 | -163.9 | -55.1 | 177.9 | 0 | 0 | 0 | 112.4 | T1002 R1007 | T1002-I1005 PolarHBondContact O-N 2.96Å; I1005-R1007 PolarHBondContact O-N 3.43Å; I1005-R1007 VanDerWaalsContact O-N 3.13Å |
| 1006 | C | 39.5 | Very low | 40.4 | Very low | 38 Ų | 38 | 120.9 Ų | 120.9 | 26% | 0.257 | 60% | 0.595 | S | S | . | * | trans | -92.3 | 66.4 | -168.3 | -73 | 0 | 0 | 0 | 0 | 113.3 | N1008 I1011 | C1006-N1008 PolarHBondContact O-N 2.85Å; C1006-I1011 HydrophobicContact CB-CD1 4.22Å | ||
| 1007 | R | 43 | Very low | 41.3 | Very low | 222 Ų | 222 | 116.5 Ų | 116.5 | 84% | 0.838 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -14.6 | -177.4 | -77.1 | -175.1 | 178.4 | 175 | -2 | 115.7 | I1005 | I1005-R1007 PolarHBondContact O-N 3.43Å; I1005-R1007 VanDerWaalsContact O-N 3.13Å |
| 1008 | N | 41.7 | Very low | 42.1 | Very low | 168 Ų | 168 | 110.5 Ų | 110.5 | 90% | 0.898 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | 25.7 | -179 | -83 | -27 | 0 | 0 | 0 | 113 | C1006 | C1006-N1008 PolarHBondContact O-N 2.85Š|
| 1009 | S | 42.6 | Very low | 42.8 | Very low | 57 Ų | 57 | 110.1 Ų | 110.1 | 40% | 0.399 | 56% | 0.56 | S | S | . | * | trans | -104.4 | 135.8 | -174.7 | -46.5 | 0 | 0 | 0 | 0 | 111.5 | I1011 | S1009-I1011 PolarHBondContact O-N 2.74Š| ||
| 1010 | L | 41.7 | Very low | 43.5 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | trans | -71.3 | 112.6 | 166.4 | -170.7 | 85.1 | 0 | 0 | 0 | 108 | H1027 | L1010-H1027 HydrophobicContact CD1-CB 3.93Š| ||
| 1011 | I | 47.6 | Very low | 44 | Very low | 49 Ų | 49 | 110.8 Ų | 110.8 | 25% | 0.251 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113.9 | 176.3 | -57.5 | 179.3 | 0 | 0 | 0 | 108.1 | C1006 S1009 K1013 Y1028 Y1030 | C1006-I1011 HydrophobicContact CB-CD1 4.22Å; S1009-I1011 PolarHBondContact O-N 2.74Å; I1011-K1013 PolarHBondContact O-N 3.31Å; I1011-Y1028 PolarHBondContact O-N 3.41Å; I1011-Y1030 HydrophobicContact CD1-CE2 4.21Å |
| 1012 | V | 44.6 | Very low | 44.6 | Very low | 81 Ų | 81 | 106.1 Ų | 106.1 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.8 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | T1025 | V1012-T1025 HydrophobicContact CG1-CG2 3.56Å; V1012-T1025 HydrophobicContact CG2-CG2 4.43Å |
| 1013 | K | 42.6 | Very low | 45.1 | Very low | 138 Ų | 138 | 108 Ų | 108 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -28.7 | -178.6 | -160.2 | -167.3 | -171 | 171.2 | 0 | 112 | I1011 V1026 Y1028 | I1011-K1013 PolarHBondContact O-N 3.31Å; K1013-V1026 PolarHBondContact N-O 3.47Å; K1013-Y1028 HydrophobicContact CB-CD2 4.45Å; K1013-Y1028 HydrophobicContact CB-CE2 4.29Å; K1013-Y1028 HydrophobicContact CD-CD2 4.45Å; K1013-Y1028 HydrophobicContact CD-CE2 3.53Å; K1013-Y1028 HydrophobicContact CG-CE2 4.05Å; K1013-Y1028 PolarHBondContact NZ-OH 3.1Å |
| 1014 | G | 49.3 | Very low | 45.7 | Very low | 32 Ų | 32 | 102.4 Ų | 102.4 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | -179.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1026 | G1014-V1026 PolarHBondContact O-N 2.94Å |
| 1015 | L | 50.3 | Low | 46.2 | Very low | 112 Ų | 112 | 100.8 Ų | 100.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 138.3 | 174.9 | -64 | 166.7 | 0 | 0 | 0 | 108.8 | W1023 T1025 | L1015-W1023 HydrophobicContact CB-CD2 4.34Å; L1015-W1023 HydrophobicContact CB-CE3 3.56Å; L1015-W1023 HydrophobicContact CB-CZ3 4.12Å; L1015-W1023 WeakPolarHBondContact O-CZ3 3.47Å; L1015-T1025 HydrophobicContact CD2-CG2 3.8Å |
| 1016 | R | 50.9 | Low | 46.5 | Very low | 171 Ų | 171 | 95.4 Ų | 95.4 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.7 | 173.6 | -145.7 | -177.6 | -140.5 | -132.9 | 3.4 | 110 | H1018 W1023 G1024 V1026 | R1016-H1018 PolarHBondContact O-N 3.16Å; R1016-W1023 VanDerWaalsContact C-CE3 3.43Å; R1016-W1023 WeakPolarHBondContact O-CA 3.4Å; R1016-G1024 PolarHBondContact N-O 2.85Å; R1016-G1024 PolarHBondContact O-N 3.34Å; R1016-V1026 HydrophobicContact CB-CG2 3.81Å |
| 1017 | R | 48.1 | Very low | 47.3 | Very low | 152 Ų | 152 | 95.1 Ų | 95.1 | 57% | 0.574 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 112.9 | 179.4 | -174.3 | 174.1 | 162.1 | -159.2 | -5.5 | 109.6 | E1021 R1022 W1023 | R1017-E1021 IonicContact CZ-OE1 3.81Å; R1017-E1021 IonicContact NE-OE1 3.93Å; R1017-E1021 IonicContact NH2-OE1 3.74Å; R1017-E1021 PolarHBondContact NH2-OE1 3.26Å; R1017-R1022 CarbonylContact C-O 3.6Å; R1017-W1023 HydrophobicContact CB-CD2 4.41Å; R1017-W1023 HydrophobicContact CB-CE3 4.24Å; R1017-W1023 HydrophobicContact CB-CH2 4.29Å; R1017-W1023 HydrophobicContact CB-CZ2 4.4Å; R1017-W1023 HydrophobicContact CB-CZ3 4.19Å |
| 1018 | H | 48.4 | Very low | 47.5 | Very low | 45 Ų | 45 | 87 Ų | 87 | 21% | 0.208 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 171.8 | 169.5 | -68.7 | -97.3 | 0 | 0 | 0 | 111.7 | R1016 E1021 R1022 G1024 E1039 | R1016-H1018 PolarHBondContact O-N 3.16Å; H1018-E1021 PolarHBondContact O-N 3.37Å; H1018-R1022 WeakPolarHBondContact CA-O 3.37Å; H1018-R1022 WeakPolarHBondContact CB-O 3.39Å; H1018-R1022 PolarHBondContact N-O 3.07Å; H1018-G1024 PolarHBondContact CD2-N 2.86Å; H1018-G1024 WeakPolarHBondContact NE2-CA 3.38Å; H1018-E1039 IonicContact CE1-OE1 2.83Å; H1018-E1039 PolarHBondContact CE1-OE1 2.87Å; H1018-E1039 IonicContact CE1-OE2 3.64Å; H1018-E1039 IonicContact ND1-OE1 2.8Å; H1018-E1039 IonicContact NE2-OE1 3.67Å |
| 1019 | A | 45.7 | Very low | 47.8 | Very low | 83 Ų | 83 | 86 Ų | 86 | 69% | 0.686 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1022 | A1019-R1022 PolarHBondContact O-NE 2.76Å; A1019-R1022 PolarHBondContact O-NH2 3.37Å |
| 1020 | R | 48.2 | Very low | 48 | Very low | 210 Ų | 210 | 87.9 Ų | 87.9 | 79% | 0.792 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 34.3 | -168.9 | -50.1 | -176.1 | 178.8 | 168.9 | -3.3 | 114.5 | R1022 | R1020-R1022 PolarHBondContact O-N 3.09Å; R1020-R1022 VanDerWaalsContact O-N 3.11Å |
| 1021 | E | 46 | Very low | 48.1 | Very low | 75 Ų | 75 | 85.5 Ų | 85.5 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 23.2 | 171.7 | -47.6 | -161.7 | 146.3 | 0 | 0 | 116 | R1017 H1018 | R1017-E1021 IonicContact CZ-OE1 3.81Å; R1017-E1021 IonicContact NE-OE1 3.93Å; R1017-E1021 IonicContact NH2-OE1 3.74Å; R1017-E1021 PolarHBondContact NH2-OE1 3.26Å; H1018-E1021 PolarHBondContact O-N 3.37Å |
| 1022 | R | 49.4 | Very low | 47.9 | Very low | 70 Ų | 70 | 91.9 Ų | 91.9 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 135.5 | 176.4 | -72.8 | 174.2 | -84.3 | 175.6 | -1.8 | 109.6 | R1017 H1018 A1019 R1020 P1042 | R1017-R1022 CarbonylContact C-O 3.6Å; H1018-R1022 WeakPolarHBondContact CA-O 3.37Å; H1018-R1022 WeakPolarHBondContact CB-O 3.39Å; H1018-R1022 PolarHBondContact N-O 3.07Å; A1019-R1022 PolarHBondContact O-NE 2.76Å; A1019-R1022 PolarHBondContact O-NH2 3.37Å; R1020-R1022 PolarHBondContact O-N 3.09Å; R1020-R1022 VanDerWaalsContact O-N 3.11Å; R1022-P1042 HydrophobicContact CB-CB 3.91Å |
| 1023 | W | 46.8 | Very low | 48 | Very low | 111 Ų | 111 | 93.6 Ų | 93.6 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 132.9 | 175.3 | -67.6 | 90.8 | 0 | 0 | 0 | 110 | L1015 R1016 R1017 | L1015-W1023 HydrophobicContact CB-CD2 4.34Å; L1015-W1023 HydrophobicContact CB-CE3 3.56Å; L1015-W1023 HydrophobicContact CB-CZ3 4.12Å; L1015-W1023 WeakPolarHBondContact O-CZ3 3.47Å; R1016-W1023 VanDerWaalsContact C-CE3 3.43Å; R1016-W1023 WeakPolarHBondContact O-CA 3.4Å; R1017-W1023 HydrophobicContact CB-CD2 4.41Å; R1017-W1023 HydrophobicContact CB-CE3 4.24Å; R1017-W1023 HydrophobicContact CB-CH2 4.29Å; R1017-W1023 HydrophobicContact CB-CZ2 4.4Å; R1017-W1023 HydrophobicContact CB-CZ3 4.19Å |
| 1024 | G | 50.8 | Low | 47.6 | Very low | 1 Ų | 1 | 94.6 Ų | 94.6 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1016 H1018 | R1016-G1024 PolarHBondContact N-O 2.85Å; R1016-G1024 PolarHBondContact O-N 3.34Å; H1018-G1024 PolarHBondContact CD2-N 2.86Å; H1018-G1024 WeakPolarHBondContact NE2-CA 3.38Å |
| 1025 | T | 51.6 | Low | 47.4 | Very low | 44 Ų | 44 | 96.6 Ų | 96.6 | 27% | 0.27 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.3 | -179.1 | 5 | 0 | 0 | 0 | 0 | 110.4 | V1012 L1015 G1040 | V1012-T1025 HydrophobicContact CG1-CG2 3.56Å; V1012-T1025 HydrophobicContact CG2-CG2 4.43Å; L1015-T1025 HydrophobicContact CD2-CG2 3.8Å; T1025-G1040 PolarHBondContact O-N 2.91Å |
| 1026 | V | 48 | Very low | 47 | Very low | 26 Ų | 26 | 98.9 Ų | 98.9 | 16% | 0.158 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.8 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | K1013 G1014 R1016 L1037 | K1013-V1026 PolarHBondContact N-O 3.47Å; G1014-V1026 PolarHBondContact O-N 2.94Å; R1016-V1026 HydrophobicContact CB-CG2 3.81Å; V1026-L1037 HydrophobicContact CG1-CD2 3.92Å |
| 1027 | H | 57.2 | Low | 46.9 | Very low | 31 Ų | 31 | 95.7 Ų | 95.7 | 14% | 0.144 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.9 | -177.6 | -54.6 | -75.2 | 0 | 0 | 0 | 111.4 | L1010 E1038 | L1010-H1027 HydrophobicContact CD1-CB 3.93Å; H1027-E1038 WeakPolarHBondContact CB-O 3.11Å; H1027-E1038 PolarHBondContact N-O 3.46Å; H1027-E1038 PolarHBondContact O-N 3.5Å |
| 1028 | Y | 46.2 | Very low | 47.1 | Very low | 51 Ų | 51 | 91.4 Ų | 91.4 | 20% | 0.2 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.5 | 158.3 | -75.8 | -61.3 | 0 | 0 | 0 | 109.8 | I1011 K1013 V1035 L1037 | I1011-Y1028 PolarHBondContact O-N 3.41Å; K1013-Y1028 HydrophobicContact CB-CD2 4.45Å; K1013-Y1028 HydrophobicContact CB-CE2 4.29Å; K1013-Y1028 HydrophobicContact CD-CD2 4.45Å; K1013-Y1028 HydrophobicContact CD-CE2 3.53Å; K1013-Y1028 HydrophobicContact CG-CE2 4.05Å; K1013-Y1028 PolarHBondContact NZ-OH 3.1Å; Y1028-V1035 HydrophobicContact CD1-CG1 3.24Å; Y1028-V1035 HydrophobicContact CE1-CG1 3.78Å; Y1028-V1035 HydrophobicContact CG-CG1 3.9Å; Y1028-L1037 HydrophobicContact CD1-CD2 3.46Å; Y1028-L1037 VanDerWaalsContact CD1-CD2 3.46Å; Y1028-L1037 HydrophobicContact CD1-CG 3.92Å; Y1028-L1037 HydrophobicContact CE1-CD1 4.33Å; Y1028-L1037 HydrophobicContact CE1-CD2 3.19Å; Y1028-L1037 HydrophobicContact CE1-CG 3.61Å; Y1028-L1037 HydrophobicContact CG-CD2 4.3Å |
| 1029 | R | 47.3 | Very low | 47.6 | Very low | 148 Ų | 148 | 94.8 Ų | 94.8 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.9 | 165.2 | -165 | 173.1 | -171.7 | 178.6 | 2.9 | 109.3 | R1036 E1038 | R1029-R1036 PolarHBondContact N-O 2.89Å; R1029-R1036 PolarHBondContact O-N 3.31Å; R1029-E1038 WeakPolarHBondContact CD-OE2 3.43Å; R1029-E1038 IonicContact NH1-OE1 3.75Å; R1029-E1038 IonicContact NH1-OE2 3.98Å |
| 1030 | Y | 46.8 | Very low | 48.3 | Very low | 97 Ų | 97 | 91.7 Ų | 91.7 | 38% | 0.38 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.2 | 175 | -68 | -91.3 | 0 | 0 | 0 | 109.1 | I1011 V1035 | I1011-Y1030 HydrophobicContact CD1-CE2 4.21Å; Y1030-V1035 HydrophobicContact CD1-CB 4.4Å; Y1030-V1035 HydrophobicContact CD1-CG1 4.24Å; Y1030-V1035 HydrophobicContact CD1-CG2 3.59Å; Y1030-V1035 HydrophobicContact CE1-CB 4.3Å; Y1030-V1035 HydrophobicContact CE1-CG1 3.96Å; Y1030-V1035 HydrophobicContact CE1-CG2 3.38Å |
| 1031 | C | 44.7 | Very low | 48.8 | Very low | 68 Ų | 68 | 91.3 Ų | 91.3 | 46% | 0.459 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 103 | 174.2 | 27 | 0 | 0 | 0 | 0 | 108.6 | V1033 F1034 | C1031-V1033 PolarHBondContact O-N 3.44Å; C1031-F1034 PolarHBondContact N-O 3.02Å; C1031-F1034 PolarHBondContact O-N 2.9Å |
| 1032 | N | 44.3 | Very low | 49.4 | Very low | 183 Ų | 183 | 89.6 Ų | 89.6 | 98% | 0.979 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.1 | -42 | 176.5 | -68.9 | -9.1 | 0 | 0 | 0 | 120.2 | ||
| 1033 | V | 45.2 | Very low | 49.8 | Very low | 117 Ų | 117 | 90.2 Ų | 90.2 | 71% | 0.709 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -23.4 | -174.7 | -166.7 | 0 | 0 | 0 | 0 | 112.2 | C1031 | C1031-V1033 PolarHBondContact O-N 3.44Š|
| 1034 | F | 34 | Very low | 50 | Low | 159 Ų | 159 | 90.5 Ų | 90.5 | 70% | 0.697 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.7 | -176.7 | -59 | -78.8 | 0 | 0 | 0 | 113.3 | C1031 | C1031-F1034 PolarHBondContact N-O 3.02Å; C1031-F1034 PolarHBondContact O-N 2.9Å |
| 1035 | V | 44.9 | Very low | 50 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.6 | 172.5 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | Y1028 Y1030 | Y1028-V1035 HydrophobicContact CD1-CG1 3.24Å; Y1028-V1035 HydrophobicContact CE1-CG1 3.78Å; Y1028-V1035 HydrophobicContact CG-CG1 3.9Å; Y1030-V1035 HydrophobicContact CD1-CB 4.4Å; Y1030-V1035 HydrophobicContact CD1-CG1 4.24Å; Y1030-V1035 HydrophobicContact CD1-CG2 3.59Å; Y1030-V1035 HydrophobicContact CE1-CB 4.3Å; Y1030-V1035 HydrophobicContact CE1-CG1 3.96Å; Y1030-V1035 HydrophobicContact CE1-CG2 3.38Å |
| 1036 | R | 43.6 | Very low | 49.9 | Very low | 159 Ų | 159 | 97.9 Ų | 97.9 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.9 | 173.7 | -167.2 | 178.9 | -174.7 | 177.4 | 3.5 | 109.6 | R1029 E1038 | R1029-R1036 PolarHBondContact N-O 2.89Å; R1029-R1036 PolarHBondContact O-N 3.31Å; R1036-E1038 HydrophobicContact CG-CG 4.27Å; R1036-E1038 IonicContact NH1-OE1 3.95Å |
| 1037 | L | 47.5 | Very low | 49.5 | Very low | 105 Ų | 105 | 106.3 Ų | 106.3 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 120.3 | 166.2 | -78.6 | 163.4 | 0 | 0 | 0 | 108.2 | V1026 Y1028 | V1026-L1037 HydrophobicContact CG1-CD2 3.92Å; Y1028-L1037 HydrophobicContact CD1-CD2 3.46Å; Y1028-L1037 VanDerWaalsContact CD1-CD2 3.46Å; Y1028-L1037 HydrophobicContact CD1-CG 3.92Å; Y1028-L1037 HydrophobicContact CE1-CD1 4.33Å; Y1028-L1037 HydrophobicContact CE1-CD2 3.19Å; Y1028-L1037 HydrophobicContact CE1-CG 3.61Å; Y1028-L1037 HydrophobicContact CG-CD2 4.3Å |
| 1038 | E | 52.4 | Low | 48.9 | Very low | 62 Ų | 62 | 112.2 Ų | 112.2 | 29% | 0.29 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.1 | 173.3 | -73.7 | -177.6 | 175.5 | 0 | 0 | 108.7 | H1027 R1029 R1036 | H1027-E1038 WeakPolarHBondContact CB-O 3.11Å; H1027-E1038 PolarHBondContact N-O 3.46Å; H1027-E1038 PolarHBondContact O-N 3.5Å; R1029-E1038 WeakPolarHBondContact CD-OE2 3.43Å; R1029-E1038 IonicContact NH1-OE1 3.75Å; R1029-E1038 IonicContact NH1-OE2 3.98Å; R1036-E1038 HydrophobicContact CG-CG 4.27Å; R1036-E1038 IonicContact NH1-OE1 3.95Å |
| 1039 | E | 58.9 | Low | 48.7 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 54% | 0.542 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.1 | 179.1 | -163.9 | 167.7 | -152.7 | 0 | 0 | 109.4 | H1018 | H1018-E1039 IonicContact CE1-OE1 2.83Å; H1018-E1039 PolarHBondContact CE1-OE1 2.87Å; H1018-E1039 IonicContact CE1-OE2 3.64Å; H1018-E1039 IonicContact ND1-OE1 2.8Å; H1018-E1039 IonicContact NE2-OE1 3.67Å |
| 1040 | G | 61.3 | Low | 48.3 | Very low | 17 Ų | 17 | 115.3 Ų | 115.3 | 18% | 0.175 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -72.5 | 151.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1025 | T1025-G1040 PolarHBondContact O-N 2.91Š|
| 1041 | K | 59.2 | Low | 48 | Very low | 202 Ų | 202 | 119.4 Ų | 119.4 | 88% | 0.878 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.3 | 175.7 | -70.6 | -177.4 | 179.6 | 177.8 | 0 | 109.9 | ||
| 1042 | P | 57.4 | Low | 48.1 | Very low | 39 Ų | 39 | 123.4 Ų | 123.4 | 25% | 0.253 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -63 | 137.1 | 176.5 | 22.8 | -31.1 | 0 | 0 | 0 | 110.9 | R1022 V1044 | R1022-P1042 HydrophobicContact CB-CB 3.91Å; P1042-V1044 PolarHBondContact O-N 2.91Å |
| 1043 | D | 57.1 | Low | 48.6 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 44% | 0.444 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 126.6 | 175.8 | 178.1 | 17.4 | 0 | 0 | 0 | 109.9 | K1045 S1046 | D1043-K1045 PolarHBondContact O-N 3.38Å; D1043-K1045 PolarHBondContact OD1-N 3.24Å; D1043-S1046 PolarHBondContact OD2-N 3.43Å |
| 1044 | V | 51.7 | Low | 49.4 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -71.8 | -24.8 | -179.5 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | P1042 | P1042-V1044 PolarHBondContact O-N 2.91Š|
| 1045 | K | 51.6 | Low | 51.2 | Low | 173 Ų | 173 | 116 Ų | 116 | 75% | 0.752 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -89.9 | -25.2 | -173.6 | -63.2 | -175.1 | 179.4 | -178.5 | 0 | 113.5 | D1043 R1047 | D1043-K1045 PolarHBondContact O-N 3.38Å; D1043-K1045 PolarHBondContact OD1-N 3.24Å; K1045-R1047 PolarHBondContact O-N 3.44Å |
| 1046 | S | 48.3 | Very low | 52.3 | Low | 28 Ų | 28 | 115.9 Ų | 115.9 | 20% | 0.196 | 56% | 0.56 | C | S | . | * | trans | -78.7 | 65.1 | 177.8 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | D1043 F1048 | D1043-S1046 PolarHBondContact OD2-N 3.43Å; S1046-F1048 PolarHBondContact O-N 2.9Å | ||
| 1047 | R | 40.6 | Very low | 53.8 | Low | 203 Ų | 203 | 114.4 Ų | 114.4 | 77% | 0.766 | 56% | 0.562 | S | S | * | * | trans | -85.6 | 99.8 | 158 | -73.5 | -169.4 | -174.4 | -171.3 | 4.3 | 107.3 | K1045 | K1045-R1047 PolarHBondContact O-N 3.44Š| ||
| 1048 | F | 44.2 | Very low | 55.1 | Low | 154 Ų | 154 | 114.1 Ų | 114.1 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | trans | -66.9 | 133.2 | 158.6 | -78.1 | -87.2 | 0 | 0 | 0 | 107.5 | S1046 M1050 | S1046-F1048 PolarHBondContact O-N 2.9Å; F1048-M1050 PolarHBondContact O-N 2.9Å | ||
| 1049 | P | 42.4 | Very low | 56.5 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 75% | 0.747 | 57% | 0.568 | S | S | * | * | trans | -59.1 | 134.2 | 170.9 | 24.1 | -30 | 0 | 0 | 0 | 108.1 | E1051 | P1049-E1051 PolarHBondContact O-N 2.77Å; P1049-E1051 VanDerWaalsContact O-N 3.14Å | ||
| 1050 | M | 38.4 | Very low | 57.4 | Low | 150 Ų | 150 | 115.9 Ų | 115.9 | 74% | 0.739 | 57% | 0.566 | S | S | * | * | trans | -43.4 | 124.1 | 176.9 | -84.7 | -173.9 | -133.8 | 0 | 0 | 109.4 | F1048 R1052 | F1048-M1050 PolarHBondContact O-N 2.9Å; M1050-R1052 PolarHBondContact O-N 3.28Å | ||
| 1051 | E | 40.7 | Very low | 58.3 | Low | 182 Ų | 182 | 121.6 Ų | 121.6 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | trans | -52.9 | 118.9 | 164.4 | -81.8 | -176 | 159.3 | 0 | 0 | 107 | P1049 L1053 | P1049-E1051 PolarHBondContact O-N 2.77Å; P1049-E1051 VanDerWaalsContact O-N 3.14Å; E1051-L1053 PolarHBondContact O-N 2.89Å | ||
| 1052 | R | 46.6 | Very low | 59.4 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 58% | 0.577 | 56% | 0.559 | S | S | * | * | trans | -58.3 | 110.4 | 179.3 | -75.2 | -174 | -171.2 | -156.7 | -0.8 | 107 | M1050 H1056 M1057 | M1050-R1052 PolarHBondContact O-N 3.28Å; R1052-H1056 HydrophobicContact CB-CB 3.92Å; R1052-H1056 HydrophobicContact CG-CB 4.37Å; R1052-M1057 HydrophobicContact CB-CG 4.4Å | ||
| 1053 | L | 54.8 | Low | 60.6 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | trans | -44 | 144 | 173.7 | -67.2 | 164.9 | 0 | 0 | 0 | 109.6 | E1051 W1055 H1056 M1057 | E1051-L1053 PolarHBondContact O-N 2.89Å; L1053-W1055 HydrophobicContact CB-CG 4.35Å; L1053-W1055 VanDerWaalsContact CD1-NE1 3.31Å; L1053-W1055 PolarHBondContact O-N 3.01Å; L1053-H1056 WeakPolarHBondContact O-CB 3.46Å; L1053-H1056 PolarHBondContact O-N 3.13Å; L1053-M1057 PolarHBondContact O-N 3.31Å | ||
| 1054 | G | 61.3 | Low | 61.8 | Low | 58 Ų | 58 | 117.4 Ų | 117.4 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -49.6 | -27.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1057 L1058 | G1054-M1057 PolarHBondContact O-N 3.3Å; G1054-L1058 WeakPolarHBondContact O-CB 3.38Å; G1054-L1058 PolarHBondContact O-N 3.05Å |
| 1055 | W | 71.8 | Confident | 63.1 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.2 | -36.7 | 173.9 | 76.8 | -97 | 0 | 0 | 0 | 114.1 | L1053 M1057 L1058 E1059 | L1053-W1055 HydrophobicContact CB-CG 4.35Å; L1053-W1055 VanDerWaalsContact CD1-NE1 3.31Å; L1053-W1055 PolarHBondContact O-N 3.01Å; W1055-M1057 VanDerWaalsContact C-N 3.29Å; W1055-M1057 PolarHBondContact O-N 2.85Å; W1055-L1058 PolarHBondContact O-N 3.3Å; W1055-E1059 WeakPolarHBondContact CZ3-OE2 3.4Å; W1055-E1059 VanDerWaalsContact O-CB 3.3Å; W1055-E1059 WeakPolarHBondContact O-CB 3.48Å; W1055-E1059 PolarHBondContact O-N 3.37Å |
| 1056 | H | 68.7 | Low | 64.5 | Low | 72 Ų | 72 | 115.9 Ų | 115.9 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.9 | -33.6 | 173.1 | -74 | 114.3 | 0 | 0 | 0 | 111.3 | R1052 L1053 K1060 | R1052-H1056 HydrophobicContact CB-CB 3.92Å; R1052-H1056 HydrophobicContact CG-CB 4.37Å; L1053-H1056 WeakPolarHBondContact O-CB 3.46Å; L1053-H1056 PolarHBondContact O-N 3.13Å; H1056-K1060 WeakPolarHBondContact O-CB 3.41Å; H1056-K1060 PolarHBondContact O-N 2.91Å; H1056-K1060 VanDerWaalsContact O-N 3.1Å |
| 1057 | M | 74.2 | Confident | 66 | Low | 128 Ų | 128 | 120.2 Ų | 120.2 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.7 | -43.4 | 173.5 | -65.1 | -178.1 | 65.2 | 0 | 0 | 110.8 | R1052 L1053 G1054 W1055 K1060 Y1061 | R1052-M1057 HydrophobicContact CB-CG 4.4Å; L1053-M1057 PolarHBondContact O-N 3.31Å; G1054-M1057 PolarHBondContact O-N 3.3Å; W1055-M1057 VanDerWaalsContact C-N 3.29Å; W1055-M1057 PolarHBondContact O-N 2.85Å; M1057-K1060 PolarHBondContact O-N 3.11Å; M1057-Y1061 WeakPolarHBondContact O-CB 3.42Å; M1057-Y1061 PolarHBondContact O-N 3.02Å |
| 1058 | L | 76.2 | Confident | 67.4 | Low | 99 Ų | 99 | 119.3 Ų | 119.3 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.9 | -44.9 | 174.3 | -177.9 | 66.4 | 0 | 0 | 0 | 111.6 | G1054 W1055 K1060 Y1061 L1062 | G1054-L1058 WeakPolarHBondContact O-CB 3.38Å; G1054-L1058 PolarHBondContact O-N 3.05Å; W1055-L1058 PolarHBondContact O-N 3.3Å; L1058-K1060 PolarHBondContact O-N 3Å; L1058-Y1061 WeakPolarHBondContact O-CB 3.35Å; L1058-Y1061 PolarHBondContact O-N 3.48Å; L1058-L1062 HydrophobicContact CD1-CG 4.48Å; L1058-L1062 HydrophobicContact CG-CD1 4.06Å; L1058-L1062 HydrophobicContact CG-CG 4.41Å; L1058-L1062 WeakPolarHBondContact O-CB 3.38Å; L1058-L1062 VanDerWaalsContact O-CG 3.24Å; L1058-L1062 WeakPolarHBondContact O-CG 3.42Å; L1058-L1062 PolarHBondContact O-N 2.88Å |
| 1059 | E | 80.4 | Confident | 68 | Low | 95 Ų | 95 | 122.6 Ų | 122.6 | 44% | 0.444 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | -179.8 | -166.8 | 173.6 | -137.3 | 0 | 0 | 111.2 | W1055 Y1061 L1062 E1063 | W1055-E1059 WeakPolarHBondContact CZ3-OE2 3.4Å; W1055-E1059 VanDerWaalsContact O-CB 3.3Å; W1055-E1059 WeakPolarHBondContact O-CB 3.48Å; W1055-E1059 PolarHBondContact O-N 3.37Å; E1059-Y1061 PolarHBondContact O-N 3.31Å; E1059-L1062 CarbonylContact O-C 3.41Å; E1059-L1062 WeakPolarHBondContact O-CB 3.46Å; E1059-L1062 PolarHBondContact O-N 3.17Å; E1059-E1063 VanDerWaalsContact O-CB 3.26Å; E1059-E1063 WeakPolarHBondContact O-CB 3.42Å; E1059-E1063 PolarHBondContact O-N 2.88Å |
| 1060 | K | 77.8 | Confident | 68.7 | Low | 119 Ų | 119 | 124 Ų | 124 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.7 | -36 | 174.4 | -150.6 | -173.9 | -170.3 | -170.1 | 0 | 112.6 | H1056 M1057 L1058 E1063 S1064 | H1056-K1060 WeakPolarHBondContact O-CB 3.41Å; H1056-K1060 PolarHBondContact O-N 2.91Å; H1056-K1060 VanDerWaalsContact O-N 3.1Å; M1057-K1060 PolarHBondContact O-N 3.11Å; L1058-K1060 PolarHBondContact O-N 3Å; K1060-E1063 PolarHBondContact O-N 2.96Å; K1060-S1064 WeakPolarHBondContact O-CB 3.28Å; K1060-S1064 PolarHBondContact O-N 3.13Å |
| 1061 | Y | 80.6 | Confident | 69.1 | Low | 137 Ų | 137 | 123.1 Ų | 123.1 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 172.6 | 175.3 | -109.3 | 0 | 0 | 0 | 111.1 | M1057 L1058 E1059 E1063 S1064 L1065 | M1057-Y1061 WeakPolarHBondContact O-CB 3.42Å; M1057-Y1061 PolarHBondContact O-N 3.02Å; L1058-Y1061 WeakPolarHBondContact O-CB 3.35Å; L1058-Y1061 PolarHBondContact O-N 3.48Å; E1059-Y1061 PolarHBondContact O-N 3.31Å; Y1061-E1063 VanDerWaalsContact C-N 3.3Å; Y1061-E1063 PolarHBondContact O-N 3.46Å; Y1061-S1064 WeakPolarHBondContact O-CB 3.1Å; Y1061-S1064 PolarHBondContact O-N 3.26Å; Y1061-S1064 VanDerWaalsContact O-N 3.14Å; Y1061-S1064 PolarHBondContact O-OG 3.33Å; Y1061-L1065 HydrophobicContact CD1-CD1 4Å; Y1061-L1065 HydrophobicContact CE1-CD1 3.49Å; Y1061-L1065 VanDerWaalsContact CE1-CD1 3.49Å; Y1061-L1065 HydrophobicContact CE1-CG 4.28Å; Y1061-L1065 HydrophobicContact CE2-CD1 4.48Å; Y1061-L1065 HydrophobicContact CE2-CG 4.44Å; Y1061-L1065 WeakPolarHBondContact O-CG 3.26Å; Y1061-L1065 PolarHBondContact O-N 3.28Å |
| 1062 | L | 82 | Confident | 69.1 | Low | 69 Ų | 69 | 123.8 Ų | 123.8 | 36% | 0.361 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -39.1 | 173.3 | -70.6 | 171.5 | 0 | 0 | 0 | 111.6 | L1058 E1059 L1065 R1066 | L1058-L1062 HydrophobicContact CD1-CG 4.48Å; L1058-L1062 HydrophobicContact CG-CD1 4.06Å; L1058-L1062 HydrophobicContact CG-CG 4.41Å; L1058-L1062 WeakPolarHBondContact O-CB 3.38Å; L1058-L1062 VanDerWaalsContact O-CG 3.24Å; L1058-L1062 WeakPolarHBondContact O-CG 3.42Å; L1058-L1062 PolarHBondContact O-N 2.88Å; E1059-L1062 CarbonylContact O-C 3.41Å; E1059-L1062 WeakPolarHBondContact O-CB 3.46Å; E1059-L1062 PolarHBondContact O-N 3.17Å; L1062-L1065 HydrophobicContact CD2-CD1 4.5Å; L1062-L1065 WeakPolarHBondContact O-CB 3.47Å; L1062-L1065 PolarHBondContact O-N 3.26Å; L1062-R1066 WeakPolarHBondContact O-CB 3.43Å; L1062-R1066 VanDerWaalsContact O-CG 3.24Å; L1062-R1066 WeakPolarHBondContact O-CG 3.06Å; L1062-R1066 PolarHBondContact O-N 3.05Å |
| 1063 | E | 83.3 | Confident | 69.1 | Low | 103 Ų | 103 | 124.5 Ų | 124.5 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 174.4 | -159.9 | 172.5 | -147.5 | 0 | 0 | 111.2 | E1059 K1060 Y1061 L1065 R1066 N1067 | E1059-E1063 VanDerWaalsContact O-CB 3.26Å; E1059-E1063 WeakPolarHBondContact O-CB 3.42Å; E1059-E1063 PolarHBondContact O-N 2.88Å; K1060-E1063 PolarHBondContact O-N 2.96Å; Y1061-E1063 VanDerWaalsContact C-N 3.3Å; Y1061-E1063 PolarHBondContact O-N 3.46Å; E1063-L1065 VanDerWaalsContact C-N 3.32Å; E1063-L1065 PolarHBondContact O-N 2.98Å; E1063-R1066 PolarHBondContact O-N 3.05Å; E1063-N1067 VanDerWaalsContact O-CB 3.3Å; E1063-N1067 WeakPolarHBondContact O-CB 3.46Å; E1063-N1067 VanDerWaalsContact O-CG 3.24Å; E1063-N1067 PolarHBondContact O-N 3.2Å; E1063-N1067 PolarHBondContact O-ND2 3.48Å |
| 1064 | S | 83.1 | Confident | 68.8 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.2 | -35.2 | 172.6 | 85.6 | 0 | 0 | 0 | 0 | 112.7 | K1060 Y1061 R1068 | K1060-S1064 WeakPolarHBondContact O-CB 3.28Å; K1060-S1064 PolarHBondContact O-N 3.13Å; Y1061-S1064 WeakPolarHBondContact O-CB 3.1Å; Y1061-S1064 PolarHBondContact O-N 3.26Å; Y1061-S1064 VanDerWaalsContact O-N 3.14Å; Y1061-S1064 PolarHBondContact O-OG 3.33Å; S1064-R1068 PolarHBondContact O-N 2.51Å; S1064-R1068 VanDerWaalsContact O-N 3.12Å |
| 1065 | L | 78.1 | Confident | 69.2 | Low | 71 Ų | 71 | 131.4 Ų | 131.4 | 37% | 0.372 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.7 | -41 | 173.4 | -72.4 | 172.8 | 0 | 0 | 0 | 111.6 | Y1061 L1062 E1063 R1068 | Y1061-L1065 HydrophobicContact CD1-CD1 4Å; Y1061-L1065 HydrophobicContact CE1-CD1 3.49Å; Y1061-L1065 VanDerWaalsContact CE1-CD1 3.49Å; Y1061-L1065 HydrophobicContact CE1-CG 4.28Å; Y1061-L1065 HydrophobicContact CE2-CD1 4.48Å; Y1061-L1065 HydrophobicContact CE2-CG 4.44Å; Y1061-L1065 WeakPolarHBondContact O-CG 3.26Å; Y1061-L1065 PolarHBondContact O-N 3.28Å; L1062-L1065 HydrophobicContact CD2-CD1 4.5Å; L1062-L1065 WeakPolarHBondContact O-CB 3.47Å; L1062-L1065 PolarHBondContact O-N 3.26Å; E1063-L1065 VanDerWaalsContact C-N 3.32Å; E1063-L1065 PolarHBondContact O-N 2.98Å; L1065-R1068 VanDerWaalsContact O-CB 3.24Å; L1065-R1068 WeakPolarHBondContact O-CB 3.34Å; L1065-R1068 PolarHBondContact O-N 3.33Å |
| 1066 | R | 81.1 | Confident | 69.1 | Low | 186 Ų | 186 | 131.1 Ų | 131.1 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.1 | -38.1 | 175.5 | -73.1 | 169.2 | -175.9 | 170.7 | 1.8 | 112.5 | L1062 E1063 R1068 | L1062-R1066 WeakPolarHBondContact O-CB 3.43Å; L1062-R1066 VanDerWaalsContact O-CG 3.24Å; L1062-R1066 WeakPolarHBondContact O-CG 3.06Å; L1062-R1066 PolarHBondContact O-N 3.05Å; E1063-R1066 PolarHBondContact O-N 3.05Å; R1066-R1068 VanDerWaalsContact C-N 3.27Å |
| 1067 | N | 79 | Confident | 69.1 | Low | 120 Ų | 120 | 134.3 Ų | 134.3 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -3.7 | 178.5 | -68.6 | -25.4 | 0 | 0 | 0 | 113.1 | E1063 R1069 | E1063-N1067 VanDerWaalsContact O-CB 3.3Å; E1063-N1067 WeakPolarHBondContact O-CB 3.46Å; E1063-N1067 VanDerWaalsContact O-CG 3.24Å; E1063-N1067 PolarHBondContact O-N 3.2Å; E1063-N1067 PolarHBondContact O-ND2 3.48Å; N1067-R1069 PolarHBondContact O-N 3.41Å |
| 1068 | R | 71.2 | Confident | 68.8 | Low | 183 Ų | 183 | 134.7 Ų | 134.7 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | trans | -66.6 | 102.5 | 175.2 | -160 | 176 | -175.9 | -177.7 | 0.2 | 107.4 | S1064 L1065 R1066 I1070 | S1064-R1068 PolarHBondContact O-N 2.51Å; S1064-R1068 VanDerWaalsContact O-N 3.12Å; L1065-R1068 VanDerWaalsContact O-CB 3.24Å; L1065-R1068 WeakPolarHBondContact O-CB 3.34Å; L1065-R1068 PolarHBondContact O-N 3.33Å; R1066-R1068 VanDerWaalsContact C-N 3.27Å; R1068-I1070 PolarHBondContact O-N 2.88Å | ||
| 1069 | R | 56.3 | Low | 68.3 | Low | 223 Ų | 223 | 136.9 Ų | 136.9 | 84% | 0.842 | 64% | 0.637 | S | S | * | * | trans | -60.1 | 106.3 | 163.3 | -74.9 | -173.5 | 177.2 | -173 | -1.1 | 106.5 | N1067 D1071 | N1067-R1069 PolarHBondContact O-N 3.41Å; R1069-D1071 PolarHBondContact O-N 2.82Å | ||
| 1070 | I | 57.9 | Low | 67.5 | Low | 145 Ų | 145 | 139.7 Ų | 139.7 | 74% | 0.744 | 65% | 0.65 | S | S | * | * | trans | -70.8 | 106.3 | 160.6 | -58.5 | 174.7 | 0 | 0 | 0 | 103 | R1068 Y1072 | R1068-I1070 PolarHBondContact O-N 2.88Å; I1070-Y1072 PolarHBondContact O-N 3.27Å | ||
| 1071 | D | 46.1 | Very low | 66.8 | Low | 131 Ų | 131 | 141.2 Ų | 141.2 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | -61.2 | 97.6 | 167.4 | -76.8 | -33.3 | 0 | 0 | 0 | 106.5 | R1069 H1073 | R1069-D1071 PolarHBondContact O-N 2.82Å; D1071-H1073 VanDerWaalsContact C-N 3.29Å; D1071-H1073 PolarHBondContact O-N 3.41Å | ||
| 1072 | Y | 41.6 | Very low | 65.7 | Low | 197 Ų | 197 | 141.5 Ų | 141.5 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | trans | -74.4 | 93.3 | 168.5 | -161.9 | -86.4 | 0 | 0 | 0 | 105.4 | I1070 P1074 | I1070-Y1072 PolarHBondContact O-N 3.27Å; Y1072-P1074 WeakPolarHBondContact O-CD 3.17Å | ||
| 1073 | H | 45 | Very low | 64.3 | Low | 168 Ų | 168 | 147.6 Ų | 147.6 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -69.3 | 111.9 | 161.6 | -89.5 | -75.2 | 0 | 0 | 0 | 106.9 | D1071 | D1071-H1073 VanDerWaalsContact C-N 3.29Å; D1071-H1073 PolarHBondContact O-N 3.41Å | ||
| 1074 | P | 49.4 | Very low | 62.6 | Low | 179 Ų | 179 | 151.6 Ų | 151.6 | 100% | 1.162 | 71% | 0.714 | S | S | * | * | trans | -59.7 | 0 | 172.3 | -13.5 | 28.7 | 0 | 0 | 0 | 111.6 | Y1072 | Y1072-P1074 WeakPolarHBondContact O-CD 3.17Š|
Retrieved 1,074 of 1,074 residues in 546.8 ms
(Link to these results)