| 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 | 32.5 | Very low | 43.6 | Very low | 241 Ų | 241 | 122.5 Ų | 122.5 | 100% | 1.187 | 73% | 0.725 | S | S | * | * | 0 | 131.1 | 0 | -90.6 | 172.4 | 51.4 | 0 | 0 | 107.9 | |||||
| 2 | A | 28.4 | Very low | 47.8 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | trans | -52.1 | 130.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A4 | A2-A4 PolarHBondContact O-N 3.14Å; A2-A4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | A | 30.2 | Very low | 51.5 | Low | 99 Ų | 99 | 109.2 Ų | 109.2 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | -63.1 | 107.6 | 163 | 0 | 0 | 0 | 0 | 0 | 106.9 | E5 | A3-E5 PolarHBondContact O-N 3.33Å; A3-E5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | A | 29.4 | Very low | 54.7 | Low | 84 Ų | 84 | 101.9 Ų | 101.9 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | trans | -61.6 | 115.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | A2 V6 | A2-A4 PolarHBondContact O-N 3.14Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A4-V6 VanDerWaalsContact C-N 3.27Å; A4-V6 PolarHBondContact O-N 3.38Å | ||
| 5 | E | 34.1 | Very low | 57.5 | Low | 190 Ų | 190 | 95.4 Ų | 95.4 | 89% | 0.888 | 56% | 0.563 | S | S | * | * | trans | -55.4 | 99.8 | 159.6 | -78.6 | 179.3 | 150.3 | 0 | 0 | 106.7 | A3 V7 | A3-E5 PolarHBondContact O-N 3.33Å; A3-E5 VanDerWaalsContact O-N 3.15Å; E5-V7 PolarHBondContact O-N 3.22Å | ||
| 6 | V | 33.1 | Very low | 60 | Low | 122 Ų | 122 | 89.5 Ų | 89.5 | 74% | 0.739 | 53% | 0.528 | S | S | * | . | trans | -65.2 | 105.5 | 167.5 | 178.1 | 0 | 0 | 0 | 0 | 105 | A4 D8 | A4-V6 VanDerWaalsContact C-N 3.27Å; A4-V6 PolarHBondContact O-N 3.38Å; V6-D8 PolarHBondContact O-N 3.3Å | ||
| 7 | V | 35.8 | Very low | 62.2 | Low | 124 Ų | 124 | 84.2 Ų | 84.2 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | trans | -45.9 | 114.8 | 164.9 | 176.3 | 0 | 0 | 0 | 0 | 106.8 | E5 T9 | E5-V7 PolarHBondContact O-N 3.22Å; V7-T9 VanDerWaalsContact C-N 3.3Å; V7-T9 PolarHBondContact O-N 3.13Å; V7-T9 PolarHBondContact O-OG1 3.14Å; V7-T9 VanDerWaalsContact O-OG1 3.07Å | ||
| 8 | D | 43.4 | Very low | 64.1 | Low | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 47% | 0.47 | S | S | * | . | trans | -55.6 | 96.2 | -176.4 | -139.5 | -5.1 | 0 | 0 | 0 | 107.6 | V6 Q10 | V6-D8 PolarHBondContact O-N 3.3Å; D8-Q10 PolarHBondContact O-N 3.48Å | ||
| 9 | T | 52.8 | Low | 65.8 | Low | 96 Ų | 96 | 77 Ų | 77 | 59% | 0.589 | 45% | 0.453 | S | S | * | . | trans | -74.8 | 103.3 | -173.4 | -37.4 | 0 | 0 | 0 | 0 | 104.6 | V7 L11 | V7-T9 VanDerWaalsContact C-N 3.3Å; V7-T9 PolarHBondContact O-N 3.13Å; V7-T9 PolarHBondContact O-OG1 3.14Å; V7-T9 VanDerWaalsContact O-OG1 3.07Å; T9-L11 WeakPolarHBondContact O-CA 3.29Å; T9-L11 WeakPolarHBondContact O-CD2 3.5Å; T9-L11 WeakPolarHBondContact O-CG 3.45Å; T9-L11 PolarHBondContact O-N 2.88Å | ||
| 10 | Q | 70.5 | Confident | 67.3 | Low | 118 Ų | 118 | 74.7 Ų | 74.7 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | trans | -21.3 | 92.4 | -172.4 | -160.9 | 173.8 | 7.4 | 0 | 0 | 113.6 | D8 L130 | D8-Q10 PolarHBondContact O-N 3.48Å; Q10-L130 HydrophobicContact CG-CD1 3.43Å; Q10-L130 VanDerWaalsContact CG-CD1 3.43Å; Q10-L130 HydrophobicContact CG-CG 4.03Å; Q10-L130 VanDerWaalsContact NE2-CD1 3.29Å | ||
| 11 | L | 89.4 | Confident | 68.5 | Low | 50 Ų | 50 | 72.5 Ų | 72.5 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | trans | -77.2 | -28.7 | -171.3 | -66.7 | 173.7 | 0 | 0 | 0 | 111.7 | T9 T94 K95 D96 | T9-L11 WeakPolarHBondContact O-CA 3.29Å; T9-L11 WeakPolarHBondContact O-CD2 3.5Å; T9-L11 WeakPolarHBondContact O-CG 3.45Å; T9-L11 PolarHBondContact O-N 2.88Å; L11-T94 CarbonylContact O-C 3.59Å; L11-T94 WeakPolarHBondContact O-CA 3.29Å; L11-T94 WeakPolarHBondContact O-CB 3.36Å; L11-K95 HydrophobicContact CD2-CB 4.46Å; L11-K95 PolarHBondContact O-N 2.98Å; L11-D96 HydrophobicContact CD1-CB 4.23Å; L11-D96 HydrophobicContact CD2-CB 4.25Å | ||
| 12 | M | 94 | Very high | 71.2 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.3 | 175.5 | -68.2 | 162.6 | 52.1 | 0 | 0 | 110.7 | L92 T94 Y102 F105 Y126 V129 L130 | M12-L92 HydrophobicContact CE-CD1 4.13Å; M12-T94 HydrophobicContact CG-CG2 4.16Å; M12-Y102 HydrophobicContact CG-CE1 4.09Å; M12-F105 HydrophobicContact CE-CD1 4.29Å; M12-F105 HydrophobicContact CE-CE1 3.55Å; M12-F105 HydrophobicContact CE-CZ 4.43Å; M12-F105 HydrophobicContact SD-CE1 4.39Å; M12-Y126 HydrophobicContact CB-CE2 4.31Å; M12-Y126 HydrophobicContact CE-CD2 3.37Å; M12-Y126 HydrophobicContact CE-CE2 3.13Å; M12-Y126 HydrophobicContact CE-CG 4.29Å; M12-V129 HydrophobicContact CE-CB 4.48Å; M12-V129 HydrophobicContact CE-CG1 4.26Å; M12-V129 HydrophobicContact SD-CG1 3.76Å; M12-L130 HydrophobicContact CB-CD1 3.63Å; M12-L130 HydrophobicContact CE-CD1 4.34Å |
| 13 | L | 95.4 | Very high | 74.1 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -40 | -174.6 | -64.7 | 174 | 0 | 0 | 0 | 112.3 | P33 T67 T93 K95 | L13-P33 WeakPolarHBondContact O-CD 3.35Å; L13-P33 WeakPolarHBondContact O-CG 3.43Å; L13-T67 HydrophobicContact CD1-CG2 3.77Å; L13-T93 WeakPolarHBondContact CB-O 3.43Å; L13-T93 PolarHBondContact N-O 3.41Å; L13-K95 HydrophobicContact CD1-CG 4.02Å; L13-K95 HydrophobicContact CD2-CD 4.28Å; L13-K95 HydrophobicContact CD2-CG 3.88Å; L13-K95 HydrophobicContact CG-CG 4.05Å |
| 14 | G | 96.1 | Very high | 76.8 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 163.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y32 T93 Y126 | G14-Y32 CarbonylContact C-O 3.56Å; G14-Y32 VanDerWaalsContact CA-O 3.23Å; G14-Y32 WeakPolarHBondContact CA-O 3.3Å; G14-T93 PolarHBondContact N-O 2.97Å; G14-T93 PolarHBondContact N-OG1 3.19Å; G14-T93 VanDerWaalsContact N-OG1 3.1Å; G14-T93 PolarHBondContact O-N 3.39Å; G14-T93 PolarHBondContact O-OG1 3.18Å; G14-T93 VanDerWaalsContact O-OG1 3.08Å; G14-Y126 WeakPolarHBondContact CA-OH 3.24Å; G14-Y126 PolarHBondContact N-OH 3.12Å; G14-Y126 VanDerWaalsContact N-OH 3.17Å |
| 15 | V | 97.3 | Very high | 79.8 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.7 | 175 | 54.1 | 0 | 0 | 0 | 0 | 110 | W30 C31 Y32 I90 V91 L92 L109 M122 Y126 | V15-W30 HydrophobicContact CG1-CH2 3.92Å; V15-W30 HydrophobicContact CG1-CZ3 3.7Å; V15-W30 HydrophobicContact CG2-CZ3 4.38Å; V15-C31 CarbonylContact O-C 3.45Å; V15-C31 WeakPolarHBondContact O-CA 3.32Å; V15-C31 WeakPolarHBondContact O-CB 3.47Å; V15-Y32 PolarHBondContact N-O 3.28Å; V15-Y32 PolarHBondContact O-N 2.91Å; V15-I90 HydrophobicContact CG2-CG2 4.12Å; V15-V91 CarbonylContact C-O 3.53Å; V15-V91 VanDerWaalsContact CA-O 3.23Å; V15-V91 WeakPolarHBondContact CA-O 3.48Å; V15-L92 HydrophobicContact CB-CD1 4.44Å; V15-L109 HydrophobicContact CG2-CD1 4.17Å; V15-M122 HydrophobicContact CG2-CE 4.06Å; V15-M122 HydrophobicContact CG2-SD 4.26Å; V15-Y126 HydrophobicContact CB-CD2 3.7Å; V15-Y126 HydrophobicContact CB-CE2 3.95Å; V15-Y126 HydrophobicContact CB-CG 4.17Å; V15-Y126 HydrophobicContact CG1-CD1 3.86Å; V15-Y126 HydrophobicContact CG1-CD2 3.6Å; V15-Y126 HydrophobicContact CG1-CE1 4.24Å; V15-Y126 HydrophobicContact CG1-CE2 3.98Å; V15-Y126 HydrophobicContact CG1-CG 3.53Å |
| 16 | G | 97.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 153.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W30 I90 V91 | G16-W30 CarbonylContact C-O 3.4Å; G16-W30 WeakPolarHBondContact CA-O 3.35Å; G16-I90 WeakPolarHBondContact O-CA 3.46Å; G16-V91 PolarHBondContact N-O 3.06Å; G16-V91 PolarHBondContact O-N 3.45Å |
| 17 | L | 97.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.6 | 176.1 | 176.2 | 66 | 0 | 0 | 0 | 109 | E19 V29 W30 F88 I90 Y113 P119 M122 | L17-E19 HydrophobicContact CG-CG 4.33Å; L17-V29 HydrophobicContact CD2-CB 4.41Å; L17-V29 PolarHBondContact O-N 3.5Å; L17-W30 HydrophobicContact CB-CB 4.21Å; L17-W30 HydrophobicContact CD2-CB 4.49Å; L17-W30 PolarHBondContact N-O 3.43Å; L17-W30 PolarHBondContact O-N 2.91Å; L17-F88 HydrophobicContact CD1-CB 4.28Å; L17-F88 HydrophobicContact CD1-CD2 4.01Å; L17-F88 HydrophobicContact CD1-CG 4.5Å; L17-I90 HydrophobicContact CD1-CG1 4.41Å; L17-Y113 HydrophobicContact CD1-CD1 4.05Å; L17-Y113 HydrophobicContact CD1-CE1 3.93Å; L17-Y113 HydrophobicContact CD1-CG 4.49Å; L17-Y113 HydrophobicContact CD2-CD2 4.28Å; L17-Y113 HydrophobicContact CD2-CE1 4.04Å; L17-Y113 HydrophobicContact CD2-CE2 3.68Å; L17-P119 HydrophobicContact CD2-CB 4.45Å; L17-M122 HydrophobicContact CB-CE 4.33Å |
| 18 | I | 97.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.7 | 173.7 | -57.1 | 167.1 | 0 | 0 | 0 | 107.6 | V26 L27 W28 L44 C47 L49 F88 S89 V91 | I18-V26 HydrophobicContact CG2-CG1 3.51Å; I18-L27 CarbonylContact C-O 3.57Å; I18-L27 VanDerWaalsContact CA-O 3.29Å; I18-L27 WeakPolarHBondContact CA-O 3.29Å; I18-L27 WeakPolarHBondContact CG2-O 3.32Å; I18-W28 HydrophobicContact CD1-CE3 3.83Å; I18-W28 HydrophobicContact CD1-CZ3 3.93Å; I18-W28 HydrophobicContact CG1-CD2 4.35Å; I18-W28 HydrophobicContact CG1-CE3 3.57Å; I18-W28 HydrophobicContact CG1-CZ3 4.02Å; I18-L44 HydrophobicContact CD1-CD2 4Å; I18-L44 HydrophobicContact CG1-CD2 4.08Å; I18-L44 HydrophobicContact CG2-CD2 3.74Å; I18-C47 HydrophobicContact CD1-CB 3.86Å; I18-L49 HydrophobicContact CG2-CD1 4.12Å; I18-F88 CarbonylContact O-C 3.55Å; I18-F88 WeakPolarHBondContact O-CA 3.45Å; I18-F88 VanDerWaalsContact O-CB 3.31Å; I18-F88 WeakPolarHBondContact O-CB 3.33Å; I18-S89 PolarHBondContact N-O 2.94Å; I18-S89 PolarHBondContact O-N 2.85Å; I18-V91 HydrophobicContact CD1-CG2 3.71Å; I18-V91 HydrophobicContact CG1-CG2 4.34Å |
| 19 | E | 96 | Very high | 90.8 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.7 | 176.9 | -63.1 | -168.7 | 141.9 | 0 | 0 | 110.5 | L17 V26 L27 V29 V85 F88 Y113 | L17-E19 HydrophobicContact CG-CG 4.33Å; E19-V26 CarbonylContact O-C 3.6Å; E19-V26 VanDerWaalsContact O-CA 3.29Å; E19-V26 WeakPolarHBondContact O-CA 3.26Å; E19-L27 PolarHBondContact N-O 3.24Å; E19-L27 PolarHBondContact O-N 3.34Å; E19-V29 HydrophobicContact CB-CG2 3.81Å; E19-V29 HydrophobicContact CG-CB 4.38Å; E19-V29 HydrophobicContact CG-CG2 3.63Å; E19-V85 HydrophobicContact CB-CG1 4.1Å; E19-V85 HydrophobicContact CG-CG1 4.25Å; E19-V85 HydrophobicContact CG-CG2 4.45Å; E19-F88 HydrophobicContact CG-CB 4.29Å; E19-Y113 WeakPolarHBondContact OE1-CE1 3.4Å; E19-Y113 VanDerWaalsContact OE1-CZ 3.26Å; E19-Y113 PolarHBondContact OE1-OH 3.31Å |
| 20 | K | 95 | Very high | 92.9 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 13% | 0.13 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.2 | 162 | -173.4 | 172.9 | -174.4 | 166.1 | 0 | 108.1 | E25 V26 L49 T86 H87 | K20-E25 VanDerWaalsContact CA-O 3.31Å; K20-E25 WeakPolarHBondContact CA-O 3.21Å; K20-V26 HydrophobicContact CB-CG2 4.17Å; K20-V26 HydrophobicContact CD-CG2 4.26Å; K20-V26 HydrophobicContact CG-CG2 4Å; K20-L49 HydrophobicContact CB-CB 4.47Å; K20-L49 HydrophobicContact CB-CD1 4.32Å; K20-L49 PolarHBondContact NZ-O 3.24Å; K20-T86 PolarHBondContact O-N 3.37Å; K20-T86 PolarHBondContact O-OG1 2.77Å; K20-H87 HydrophobicContact CB-CB 4.18Å; K20-H87 PolarHBondContact N-O 3.09Å; K20-H87 PolarHBondContact O-N 3.42Å |
| 21 | D | 92.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -179.6 | -178.3 | 83.4 | -6.7 | 0 | 0 | 0 | 112.3 | N23 G24 E25 K84 T86 | D21-N23 PolarHBondContact O-N 2.74Å; D21-N23 VanDerWaalsContact OD1-CA 3.27Å; D21-N23 WeakPolarHBondContact OD1-CA 3.4Å; D21-N23 WeakPolarHBondContact OD1-CB 3.42Å; D21-N23 PolarHBondContact OD1-N 2.74Å; D21-N23 PolarHBondContact OD2-ND2 2.93Å; D21-G24 PolarHBondContact O-N 3.25Å; D21-G24 PolarHBondContact OD1-N 2.81Å; D21-E25 PolarHBondContact N-O 3.23Å; D21-E25 PolarHBondContact OD1-N 3.41Å; D21-K84 CarbonylContact C-O 3.53Å; D21-K84 WeakPolarHBondContact CA-O 3.23Å; D21-K84 WeakPolarHBondContact CB-O 3.33Å; D21-T86 PolarHBondContact O-OG1 3.4Å |
| 22 | T | 90.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.3 | 175.9 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | G24 K84 T86 | T22-G24 VanDerWaalsContact C-N 3.34Å; T22-K84 PolarHBondContact N-O 3.31Å; T22-K84 VanDerWaalsContact N-O 3.15Å; T22-T86 HydrophobicContact CG2-CG2 4.08Å |
| 23 | N | 89.8 | Confident | 94.4 | Very high | 128 Ų | 128 | 47.2 Ų | 47.2 | 68% | 0.684 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4.4 | 174.6 | -51.5 | -53.9 | 0 | 0 | 0 | 112.1 | D21 | D21-N23 PolarHBondContact O-N 2.74Å; D21-N23 VanDerWaalsContact OD1-CA 3.27Å; D21-N23 WeakPolarHBondContact OD1-CA 3.4Å; D21-N23 WeakPolarHBondContact OD1-CB 3.42Å; D21-N23 PolarHBondContact OD1-N 2.74Å; D21-N23 PolarHBondContact OD2-ND2 2.93Å |
| 24 | G | 86.9 | Confident | 94.1 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 89.4 | 0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | D21 T22 | D21-G24 PolarHBondContact O-N 3.25Å; D21-G24 PolarHBondContact OD1-N 2.81Å; T22-G24 VanDerWaalsContact C-N 3.34Å |
| 25 | E | 91.3 | Very high | 93.9 | Very high | 113 Ų | 113 | 51.8 Ų | 51.8 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | trans | -74.9 | 132.7 | -179.8 | -65.4 | -170.1 | 174.9 | 0 | 0 | 111.2 | K20 D21 | K20-E25 VanDerWaalsContact CA-O 3.31Å; K20-E25 WeakPolarHBondContact CA-O 3.21Å; D21-E25 PolarHBondContact N-O 3.23Å; D21-E25 PolarHBondContact OD1-N 3.41Å | ||
| 26 | V | 94.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.1 | 177.6 | -177 | 0 | 0 | 0 | 0 | 110.1 | I18 E19 K20 L44 L49 T50 | I18-V26 HydrophobicContact CG2-CG1 3.51Å; E19-V26 CarbonylContact O-C 3.6Å; E19-V26 VanDerWaalsContact O-CA 3.29Å; E19-V26 WeakPolarHBondContact O-CA 3.26Å; K20-V26 HydrophobicContact CB-CG2 4.17Å; K20-V26 HydrophobicContact CD-CG2 4.26Å; K20-V26 HydrophobicContact CG-CG2 4Å; V26-L44 HydrophobicContact CG1-CD2 4.24Å; V26-L49 HydrophobicContact CG1-CB 3.98Å; V26-L49 HydrophobicContact CG2-CB 3.87Å; V26-L49 WeakPolarHBondContact CG2-O 3.34Å; V26-T50 HydrophobicContact CB-CG2 4.07Å; V26-T50 HydrophobicContact CG1-CG2 3.98Å; V26-T50 HydrophobicContact CG2-CG2 4.21Å |
| 27 | L | 93.8 | Very high | 93.5 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138 | -171.1 | -62.5 | 170.9 | 0 | 0 | 0 | 111.5 | I18 E19 V29 | I18-L27 CarbonylContact C-O 3.57Å; I18-L27 VanDerWaalsContact CA-O 3.29Å; I18-L27 WeakPolarHBondContact CA-O 3.29Å; I18-L27 WeakPolarHBondContact CG2-O 3.32Å; E19-L27 PolarHBondContact N-O 3.24Å; E19-L27 PolarHBondContact O-N 3.34Å; L27-V29 HydrophobicContact CB-CG2 4.22Å; L27-V29 PolarHBondContact O-N 2.9Å |
| 28 | W | 95.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 62.3 Ų | 62.3 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 102.8 | 164.9 | -174.6 | -78.6 | 0 | 0 | 0 | 108.9 | I18 W30 C31 T35 R40 L43 L44 V91 | I18-W28 HydrophobicContact CD1-CE3 3.83Å; I18-W28 HydrophobicContact CD1-CZ3 3.93Å; I18-W28 HydrophobicContact CG1-CD2 4.35Å; I18-W28 HydrophobicContact CG1-CE3 3.57Å; I18-W28 HydrophobicContact CG1-CZ3 4.02Å; W28-W30 PolarHBondContact NE1-O 3.33Å; W28-C31 HydrophobicContact CZ2-CB 3.49Å; W28-C31 VanDerWaalsContact CZ2-CB 3.49Å; W28-C31 PolarHBondContact NE1-SG 3.07Å; W28-T35 HydrophobicContact CH2-CG2 4.43Å; W28-T35 HydrophobicContact CZ2-CG2 3.78Å; W28-R40 HydrophobicContact CB-CG 4.07Å; W28-R40 HydrophobicContact CD2-CG 3.44Å; W28-R40 VanDerWaalsContact CD2-CG 3.44Å; W28-R40 HydrophobicContact CE3-CG 3.59Å; W28-R40 HydrophobicContact CG-CG 3.67Å; W28-R40 HydrophobicContact CZ2-CG 4.43Å; W28-R40 HydrophobicContact CZ3-CG 4.18Å; W28-L43 HydrophobicContact CH2-CD1 3.88Å; W28-L43 HydrophobicContact CZ3-CB 3.88Å; W28-L43 HydrophobicContact CZ3-CD1 4.08Å; W28-L44 HydrophobicContact CB-CD1 4.33Å; W28-L44 HydrophobicContact CB-CD2 4.29Å; W28-L44 HydrophobicContact CE3-CG 4.35Å; W28-V91 HydrophobicContact CZ3-CG2 4.4Å |
| 29 | V | 94.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 63.6 Ų | 63.6 | 42% | 0.418 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -36.8 | -169.9 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | L17 E19 L27 | L17-V29 HydrophobicContact CD2-CB 4.41Å; L17-V29 PolarHBondContact O-N 3.5Å; E19-V29 HydrophobicContact CB-CG2 3.81Å; E19-V29 HydrophobicContact CG-CB 4.38Å; E19-V29 HydrophobicContact CG-CG2 3.63Å; L27-V29 HydrophobicContact CB-CG2 4.22Å; L27-V29 PolarHBondContact O-N 2.9Å |
| 30 | W | 96.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 67 Ų | 67 | 20% | 0.201 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 151.4 | -172.3 | -178 | 91.4 | 0 | 0 | 0 | 112.5 | V15 G16 L17 W28 Y32 P119 M122 M123 | V15-W30 HydrophobicContact CG1-CH2 3.92Å; V15-W30 HydrophobicContact CG1-CZ3 3.7Å; V15-W30 HydrophobicContact CG2-CZ3 4.38Å; G16-W30 CarbonylContact C-O 3.4Å; G16-W30 WeakPolarHBondContact CA-O 3.35Å; L17-W30 HydrophobicContact CB-CB 4.21Å; L17-W30 HydrophobicContact CD2-CB 4.49Å; L17-W30 PolarHBondContact N-O 3.43Å; L17-W30 PolarHBondContact O-N 2.91Å; W28-W30 PolarHBondContact NE1-O 3.33Å; W30-Y32 HydrophobicContact CH2-CG 4.44Å; W30-P119 HydrophobicContact CB-CB 4.14Å; W30-P119 HydrophobicContact CB-CG 4.31Å; W30-P119 HydrophobicContact CD2-CB 3.6Å; W30-P119 HydrophobicContact CD2-CG 4.31Å; W30-P119 HydrophobicContact CE3-CB 4.05Å; W30-P119 HydrophobicContact CG-CB 3.64Å; W30-P119 HydrophobicContact CG-CG 3.89Å; W30-M122 HydrophobicContact CD2-CE 4.39Å; W30-M122 HydrophobicContact CE3-CE 3.36Å; W30-M122 HydrophobicContact CH2-CE 4.05Å; W30-M122 HydrophobicContact CZ3-CE 3.16Å; W30-M123 HydrophobicContact CH2-CB 3.65Å; W30-M123 HydrophobicContact CH2-CG 3.86Å; W30-M123 HydrophobicContact CH2-SD 4.35Å; W30-M123 HydrophobicContact CZ2-CB 3.72Å; W30-M123 HydrophobicContact CZ2-CG 3.85Å; W30-M123 HydrophobicContact CZ2-SD 3.75Å |
| 31 | C | 96.4 | Very high | 93.1 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 157.6 | 166.8 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | V15 W28 | V15-C31 CarbonylContact O-C 3.45Å; V15-C31 WeakPolarHBondContact O-CA 3.32Å; V15-C31 WeakPolarHBondContact O-CB 3.47Å; W28-C31 HydrophobicContact CZ2-CB 3.49Å; W28-C31 VanDerWaalsContact CZ2-CB 3.49Å; W28-C31 PolarHBondContact NE1-SG 3.07Å |
| 32 | Y | 95 | Very high | 93.2 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 131.3 | 171.3 | 178.1 | -93.7 | 0 | 0 | 0 | 111.3 | G14 V15 W30 M123 Y126 I127 | G14-Y32 CarbonylContact C-O 3.56Å; G14-Y32 VanDerWaalsContact CA-O 3.23Å; G14-Y32 WeakPolarHBondContact CA-O 3.3Å; V15-Y32 PolarHBondContact N-O 3.28Å; V15-Y32 PolarHBondContact O-N 2.91Å; W30-Y32 HydrophobicContact CH2-CG 4.44Å; Y32-M123 HydrophobicContact CD1-CG 4.33Å; Y32-M123 HydrophobicContact CD2-SD 3.91Å; Y32-M123 HydrophobicContact CE2-SD 4.37Å; Y32-M123 HydrophobicContact CG-CG 4.19Å; Y32-M123 HydrophobicContact CG-SD 4.06Å; Y32-Y126 AromaticContact CD1-CD1 3.87Å; Y32-Y126 HydrophobicContact CD1-CD1 3.87Å; Y32-Y126 AromaticContact CD1-CE1 3.75Å; Y32-Y126 HydrophobicContact CD1-CE1 3.75Å; Y32-Y126 HydrophobicContact CE1-CD1 4.24Å; Y32-Y126 HydrophobicContact CE1-CE1 4.01Å; Y32-I127 HydrophobicContact CE1-CD1 4.16Å; Y32-I127 HydrophobicContact CE1-CG1 4.05Å |
| 33 | P | 93.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | S | Bend | cis | -65.6 | -174.4 | -14.6 | 32.3 | -35.4 | 0 | 0 | 0 | 111 | L13 T35 | L13-P33 WeakPolarHBondContact O-CD 3.35Å; L13-P33 WeakPolarHBondContact O-CG 3.43Å; P33-T35 PolarHBondContact O-N 2.91Å |
| 34 | S | 89.6 | Confident | 93.7 | Very high | 112 Ų | 112 | 59.4 Ų | 59.4 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | trans | -57.7 | 137.5 | 172.8 | 55 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 35 | T | 92.6 | Very high | 94 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 31% | 0.307 | 34% | 0.336 | S | S | . | . | trans | -108.3 | 163.9 | 176.6 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | W28 P33 R40 | W28-T35 HydrophobicContact CH2-CG2 4.43Å; W28-T35 HydrophobicContact CZ2-CG2 3.78Å; P33-T35 PolarHBondContact O-N 2.91Å; T35-R40 HydrophobicContact CG2-CB 4.05Å; T35-R40 HydrophobicContact CG2-CG 4.44Å | ||
| 36 | T | 92.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | trans | -77 | 152.7 | 175 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | T38 L39 R40 | T36-T38 VanDerWaalsContact C-N 3.28Å; T36-T38 PolarHBondContact O-N 3.02Å; T36-L39 PolarHBondContact O-N 3.41Å; T36-L39 WeakPolarHBondContact OG1-CB 3.09Å; T36-L39 PolarHBondContact OG1-N 2.91Å; T36-R40 WeakPolarHBondContact O-CB 3.49Å; T36-R40 PolarHBondContact O-N 3.22Å | ||
| 37 | A | 93.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R40 N41 | A37-R40 PolarHBondContact O-N 3.34Å; A37-N41 WeakPolarHBondContact O-CB 3.45Å; A37-N41 PolarHBondContact O-N 3.44Å; A37-N41 PolarHBondContact O-ND2 3.4Å; A37-N41 PolarHBondContact O-OD1 3.25Å |
| 38 | T | 93.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 47% | 0.466 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.9 | -50.9 | 177.4 | -50 | 0 | 0 | 0 | 0 | 111.6 | T36 R40 N41 L42 | T36-T38 VanDerWaalsContact C-N 3.28Å; T36-T38 PolarHBondContact O-N 3.02Å; T38-R40 PolarHBondContact O-N 3.43Å; T38-N41 PolarHBondContact O-N 2.92Å; T38-L42 PolarHBondContact O-N 3.05Å |
| 39 | L | 94 | Very high | 92.9 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 179.1 | -178.4 | 56.5 | 0 | 0 | 0 | 111.3 | T36 N41 L42 L43 Y64 | T36-L39 PolarHBondContact O-N 3.41Å; T36-L39 WeakPolarHBondContact OG1-CB 3.09Å; T36-L39 PolarHBondContact OG1-N 2.91Å; L39-N41 PolarHBondContact O-N 3.37Å; L39-L42 HydrophobicContact CD1-CD2 4.16Å; L39-L42 WeakPolarHBondContact O-CB 3.42Å; L39-L42 PolarHBondContact O-N 3.26Å; L39-L43 HydrophobicContact CD1-CD1 3.9Å; L39-L43 HydrophobicContact CD1-CD2 4.46Å; L39-L43 HydrophobicContact CD1-CG 4.01Å; L39-L43 HydrophobicContact CG-CD1 3.78Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.32Å; L39-L43 PolarHBondContact O-N 3Å; L39-Y64 HydrophobicContact CD1-CD1 4.42Å |
| 40 | R | 94.9 | Very high | 92.1 | Very high | 104 Ų | 104 | 50.2 Ų | 50.2 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 175.5 | -166.2 | -178.3 | 77.8 | 175.9 | 4.7 | 112.2 | W28 T35 T36 A37 T38 L43 L44 | W28-R40 HydrophobicContact CB-CG 4.07Å; W28-R40 HydrophobicContact CD2-CG 3.44Å; W28-R40 VanDerWaalsContact CD2-CG 3.44Å; W28-R40 HydrophobicContact CE3-CG 3.59Å; W28-R40 HydrophobicContact CG-CG 3.67Å; W28-R40 HydrophobicContact CZ2-CG 4.43Å; W28-R40 HydrophobicContact CZ3-CG 4.18Å; T35-R40 HydrophobicContact CG2-CB 4.05Å; T35-R40 HydrophobicContact CG2-CG 4.44Å; T36-R40 WeakPolarHBondContact O-CB 3.49Å; T36-R40 PolarHBondContact O-N 3.22Å; A37-R40 PolarHBondContact O-N 3.34Å; T38-R40 PolarHBondContact O-N 3.43Å; R40-L43 PolarHBondContact O-N 3.37Å; R40-L44 HydrophobicContact CG-CD1 4.34Å; R40-L44 WeakPolarHBondContact O-CG 3.26Å; R40-L44 PolarHBondContact O-N 3.04Å |
| 41 | N | 94.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -179.1 | -68.6 | -10.4 | 0 | 0 | 0 | 111.4 | A37 T38 L39 L44 R45 | A37-N41 WeakPolarHBondContact O-CB 3.45Å; A37-N41 PolarHBondContact O-N 3.44Å; A37-N41 PolarHBondContact O-ND2 3.4Å; A37-N41 PolarHBondContact O-OD1 3.25Å; T38-N41 PolarHBondContact O-N 2.92Å; L39-N41 PolarHBondContact O-N 3.37Å; N41-L44 PolarHBondContact O-N 3.06Å; N41-R45 WeakPolarHBondContact O-CG 3.46Å; N41-R45 PolarHBondContact O-N 3.24Å |
| 42 | L | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 171.8 | 176.9 | 74.3 | 0 | 0 | 0 | 110.8 | T38 L39 L44 R45 K46 Y64 E223 | T38-L42 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CD1-CD2 4.16Å; L39-L42 WeakPolarHBondContact O-CB 3.42Å; L39-L42 PolarHBondContact O-N 3.26Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 2.86Å; L42-R45 VanDerWaalsContact CD1-NH2 3.34Å; L42-R45 WeakPolarHBondContact O-CB 3.4Å; L42-R45 PolarHBondContact O-N 3.22Å; L42-K46 HydrophobicContact CD1-CG 4.45Å; L42-K46 HydrophobicContact CG-CG 4.32Å; L42-K46 WeakPolarHBondContact O-CG 3.21Å; L42-K46 PolarHBondContact O-N 2.99Å; L42-Y64 VanDerWaalsContact CD2-CB 3.46Å; L42-Y64 HydrophobicContact CD2-CD1 3.49Å; L42-Y64 VanDerWaalsContact CD2-CD1 3.49Å; L42-Y64 HydrophobicContact CD2-CD2 3.84Å; L42-Y64 HydrophobicContact CD2-CE1 4.12Å; L42-Y64 HydrophobicContact CD2-CE2 4.44Å; L42-Y64 HydrophobicContact CD2-CG 3.31Å; L42-E223 VanDerWaalsContact CD1-CD 3.41Å; L42-E223 HydrophobicContact CD1-CG 3.53Å; L42-E223 VanDerWaalsContact CD1-OE1 3.31Å; L42-E223 WeakPolarHBondContact CD1-OE1 3.38Å |
| 43 | L | 95.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -31.3 | -175.8 | -65.8 | 168.1 | 0 | 0 | 0 | 112.8 | W28 L39 R40 K46 C47 F69 I71 V91 T93 | W28-L43 HydrophobicContact CH2-CD1 3.88Å; W28-L43 HydrophobicContact CZ3-CB 3.88Å; W28-L43 HydrophobicContact CZ3-CD1 4.08Å; L39-L43 HydrophobicContact CD1-CD1 3.9Å; L39-L43 HydrophobicContact CD1-CD2 4.46Å; L39-L43 HydrophobicContact CD1-CG 4.01Å; L39-L43 HydrophobicContact CG-CD1 3.78Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.32Å; L39-L43 PolarHBondContact O-N 3Å; R40-L43 PolarHBondContact O-N 3.37Å; L43-K46 PolarHBondContact O-N 3.15Å; L43-C47 PolarHBondContact O-N 2.9Å; L43-F69 HydrophobicContact CD2-CB 3.55Å; L43-F69 HydrophobicContact CD2-CD1 4.2Å; L43-F69 HydrophobicContact CD2-CD2 4.25Å; L43-F69 HydrophobicContact CD2-CG 3.75Å; L43-I71 HydrophobicContact CD2-CD1 4.43Å; L43-V91 HydrophobicContact CB-CG1 4.47Å; L43-V91 HydrophobicContact CD1-CG1 3.8Å; L43-V91 HydrophobicContact CD2-CG1 3.82Å; L43-V91 HydrophobicContact CG-CG1 4.21Å; L43-T93 HydrophobicContact CD1-CG2 4.22Å |
| 44 | L | 94.5 | Very high | 85.9 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 170.1 | -77.2 | 166.5 | 0 | 0 | 0 | 112.5 | I18 V26 W28 R40 N41 L42 K46 C47 T50 | I18-L44 HydrophobicContact CD1-CD2 4Å; I18-L44 HydrophobicContact CG1-CD2 4.08Å; I18-L44 HydrophobicContact CG2-CD2 3.74Å; V26-L44 HydrophobicContact CG1-CD2 4.24Å; W28-L44 HydrophobicContact CB-CD1 4.33Å; W28-L44 HydrophobicContact CB-CD2 4.29Å; W28-L44 HydrophobicContact CE3-CG 4.35Å; R40-L44 HydrophobicContact CG-CD1 4.34Å; R40-L44 WeakPolarHBondContact O-CG 3.26Å; R40-L44 PolarHBondContact O-N 3.04Å; N41-L44 PolarHBondContact O-N 3.06Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 2.86Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-C47 PolarHBondContact O-SG 2.82Å; L44-T50 WeakPolarHBondContact O-CG2 3.45Å |
| 45 | R | 92.4 | Very high | 85.1 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 30% | 0.302 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.8 | -28.6 | 172.6 | -63.2 | -175.9 | -53.3 | -160.2 | 1.3 | 112.5 | N41 L42 N220 D222 E223 | N41-R45 WeakPolarHBondContact O-CG 3.46Å; N41-R45 PolarHBondContact O-N 3.24Å; L42-R45 VanDerWaalsContact CD1-NH2 3.34Å; L42-R45 WeakPolarHBondContact O-CB 3.4Å; L42-R45 PolarHBondContact O-N 3.22Å; R45-N220 PolarHBondContact NE-ND2 3.48Å; R45-N220 VanDerWaalsContact NH1-CG 3.27Å; R45-N220 PolarHBondContact NH1-ND2 2.67Å; R45-D222 IonicContact CZ-OD1 3.63Å; R45-D222 IonicContact CZ-OD2 2.69Å; R45-D222 IonicContact NH1-OD1 3.64Å; R45-D222 PolarHBondContact NH1-OD1 2.81Å; R45-D222 IonicContact NH1-OD2 3.5Å; R45-D222 VanDerWaalsContact NH2-CG 3.31Å; R45-D222 IonicContact NH2-OD1 3.31Å; R45-D222 PolarHBondContact NH2-OD1 2.59Å; R45-D222 IonicContact NH2-OD2 2.7Å; R45-D222 PolarHBondContact NH2-OD2 2.87Å; R45-E223 IonicContact CZ-OE1 3.48Å; R45-E223 IonicContact NE-OE1 3.62Å; R45-E223 IonicContact NH2-OE1 2.99Å; R45-E223 PolarHBondContact NH2-OE1 2.8Å |
| 46 | K | 93.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.4 | -26.6 | -179.9 | -63.9 | -64.3 | 172.3 | -171 | 0 | 112.7 | L42 L43 L44 F69 I71 Y216 H218 E223 | L42-K46 HydrophobicContact CD1-CG 4.45Å; L42-K46 HydrophobicContact CG-CG 4.32Å; L42-K46 WeakPolarHBondContact O-CG 3.21Å; L42-K46 PolarHBondContact O-N 2.99Å; L43-K46 PolarHBondContact O-N 3.15Å; L44-K46 VanDerWaalsContact C-N 3.33Å; K46-F69 HydrophobicContact CB-CE2 4.13Å; K46-F69 HydrophobicContact CB-CZ 4.45Å; K46-F69 HydrophobicContact CD-CE2 4.24Å; K46-F69 HydrophobicContact CD-CZ 3.83Å; K46-F69 HydrophobicContact CG-CE1 4.47Å; K46-F69 HydrophobicContact CG-CE2 4.02Å; K46-F69 HydrophobicContact CG-CZ 3.84Å; K46-I71 HydrophobicContact CB-CD1 3.67Å; K46-Y216 HydrophobicContact CD-CD1 3.88Å; K46-Y216 HydrophobicContact CD-CE1 4.01Å; K46-Y216 HydrophobicContact CD-CG 4.28Å; K46-Y216 WeakPolarHBondContact CE-O 3.32Å; K46-Y216 PolarHBondContact NZ-O 3.06Å; K46-H218 WeakPolarHBondContact CE-ND1 3.48Å; K46-H218 PolarHBondContact NZ-ND1 2.89Å; K46-E223 VanDerWaalsContact CE-OE2 3.23Å; K46-E223 WeakPolarHBondContact CE-OE2 3.3Å; K46-E223 IonicContact NZ-OE1 3.92Å; K46-E223 IonicContact NZ-OE2 3.41Å; K46-E223 PolarHBondContact NZ-OE2 2.98Å |
| 47 | C | 87.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -71.7 | 132.1 | 173 | 77.3 | 0 | 0 | 0 | 0 | 109.3 | I18 L43 L44 L49 I71 | I18-C47 HydrophobicContact CD1-CB 3.86Å; L43-C47 PolarHBondContact O-N 2.9Å; L44-C47 PolarHBondContact O-SG 2.82Å; C47-L49 PolarHBondContact O-N 3.3Å; C47-I71 HydrophobicContact CB-CG2 4.26Å |
| 48 | C | 83 | Confident | 84.2 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.081 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 21.7 | -173.7 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | L56 | C48-L56 WeakPolarHBondContact O-CD2 3.19Š|
| 49 | L | 86.7 | Confident | 84.3 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -25.2 | -172.6 | -63.7 | -177 | 0 | 0 | 0 | 113.4 | I18 K20 V26 C47 D51 L56 T73 H87 S89 | I18-L49 HydrophobicContact CG2-CD1 4.12Å; K20-L49 HydrophobicContact CB-CB 4.47Å; K20-L49 HydrophobicContact CB-CD1 4.32Å; K20-L49 PolarHBondContact NZ-O 3.24Å; V26-L49 HydrophobicContact CG1-CB 3.98Å; V26-L49 HydrophobicContact CG2-CB 3.87Å; V26-L49 WeakPolarHBondContact CG2-O 3.34Å; C47-L49 PolarHBondContact O-N 3.3Å; L49-D51 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 3.11Å; L49-L56 HydrophobicContact CD2-CD2 4.1Å; L49-T73 HydrophobicContact CD2-CG2 3.55Å; L49-T73 HydrophobicContact CG-CG2 4.2Å; L49-H87 HydrophobicContact CD2-CB 3.48Å; L49-H87 VanDerWaalsContact CD2-CB 3.48Å; L49-S89 WeakPolarHBondContact CD1-OG 3.47Å |
| 50 | T | 79.5 | Confident | 84.5 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -78.9 | -12.2 | -172.5 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | V26 L44 | V26-T50 HydrophobicContact CB-CG2 4.07Å; V26-T50 HydrophobicContact CG1-CG2 3.98Å; V26-T50 HydrophobicContact CG2-CG2 4.21Å; L44-T50 WeakPolarHBondContact O-CG2 3.45Å |
| 51 | D | 73.8 | Confident | 84.6 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | trans | -115.6 | 102.1 | -174 | -156 | -24.6 | 0 | 0 | 0 | 109.5 | L49 N53 K54 | L49-D51 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 3.11Å; D51-N53 PolarHBondContact O-N 3.1Å; D51-N53 VanDerWaalsContact O-N 3.11Å; D51-K54 HydrophobicContact CB-CB 4.22Å; D51-K54 HydrophobicContact CB-CD 3.95Å; D51-K54 HydrophobicContact CB-CG 4.1Å; D51-K54 PolarHBondContact O-N 2.89Å; D51-K54 WeakPolarHBondContact OD2-CD 3.4Å; D51-K54 WeakPolarHBondContact OD2-CE 3.47Å; D51-K54 IonicContact OD2-NZ 3Å; D51-K54 PolarHBondContact OD2-NZ 3.42Å | ||
| 52 | E | 56.3 | Low | 84.8 | Confident | 142 Ų | 142 | 51 Ų | 51 | 66% | 0.664 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.5 | -167.7 | -60.9 | -164.3 | 143 | 0 | 0 | 114.5 | ||
| 53 | N | 53.7 | Low | 84.8 | Confident | 157 Ų | 157 | 51.6 Ų | 51.6 | 84% | 0.84 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 6.2 | -175.2 | -69.3 | -41.1 | 0 | 0 | 0 | 113.8 | D51 | D51-N53 PolarHBondContact O-N 3.1Å; D51-N53 VanDerWaalsContact O-N 3.11Å |
| 54 | K | 66.1 | Low | 84.7 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 55% | 0.548 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -95.4 | 143.9 | 178.7 | -75.8 | -173.1 | 177.6 | 146.7 | 0 | 111.9 | D51 L56 | D51-K54 HydrophobicContact CB-CB 4.22Å; D51-K54 HydrophobicContact CB-CD 3.95Å; D51-K54 HydrophobicContact CB-CG 4.1Å; D51-K54 PolarHBondContact O-N 2.89Å; D51-K54 WeakPolarHBondContact OD2-CD 3.4Å; D51-K54 WeakPolarHBondContact OD2-CE 3.47Å; D51-K54 IonicContact OD2-NZ 3Å; D51-K54 PolarHBondContact OD2-NZ 3.42Å; K54-L56 PolarHBondContact O-N 3.4Å |
| 55 | L | 72.3 | Confident | 84.6 | Confident | 148 Ų | 148 | 58.3 Ų | 58.3 | 78% | 0.775 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 129.8 | 166.4 | -87.9 | 142.9 | 0 | 0 | 0 | 109.3 | H57 | L55-H57 PolarHBondContact O-CD2 3.16Å; L55-H57 VanDerWaalsContact O-CD2 3.32Å; L55-H57 PolarHBondContact O-N 3.31Å; L55-H57 PolarHBondContact O-NE2 3.19Å |
| 56 | L | 83.1 | Confident | 84.6 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 37% | 0.372 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 121.9 | 173 | -70.7 | 169.3 | 0 | 0 | 0 | 108.9 | C48 L49 K54 P58 T73 H87 | C48-L56 WeakPolarHBondContact O-CD2 3.19Å; L49-L56 HydrophobicContact CD2-CD2 4.1Å; K54-L56 PolarHBondContact O-N 3.4Å; L56-P58 WeakPolarHBondContact O-CD 3.33Å; L56-T73 HydrophobicContact CD2-CG2 4.32Å; L56-H87 WeakPolarHBondContact CD1-CD2 3.33Å; L56-H87 VanDerWaalsContact CD1-NE2 3.26Å; L56-H87 WeakPolarHBondContact CD1-NE2 3.48Å |
| 57 | H | 86.8 | Confident | 84.7 | Confident | 27 Ų | 27 | 66 Ų | 66 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | trans | -91.8 | 113.9 | 173.9 | -58.5 | -68.6 | 0 | 0 | 0 | 108.6 | L55 F59 V60 I190 E191 | L55-H57 PolarHBondContact O-CD2 3.16Å; L55-H57 VanDerWaalsContact O-CD2 3.32Å; L55-H57 PolarHBondContact O-N 3.31Å; L55-H57 PolarHBondContact O-NE2 3.19Å; H57-F59 PolarHBondContact O-N 3Å; H57-V60 HydrophobicContact CB-CG1 3.68Å; H57-I190 HydrophobicContact CB-CG2 4.02Å; H57-I190 WeakPolarHBondContact ND1-CG2 3.29Å; H57-E191 IonicContact CE1-OE1 2.68Å; H57-E191 IonicContact CE1-OE2 3.88Å; H57-E191 IonicContact CG-OE1 2.77Å; H57-E191 VanDerWaalsContact ND1-CD 3.31Å; H57-E191 IonicContact ND1-OE1 2.81Å; H57-E191 PolarHBondContact ND1-OE1 3.48Å; H57-E191 IonicContact ND1-OE2 3.75Å; H57-E191 PolarHBondContact ND1-OE2 2.78Å | ||
| 58 | P | 91.3 | Very high | 85.2 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 53% | 0.532 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -63.2 | -30.5 | -172.2 | -24.7 | 34.5 | 0 | 0 | 0 | 113.4 | L56 T72 T73 | L56-P58 WeakPolarHBondContact O-CD 3.33Å; P58-T72 CarbonylContact O-C 3.5Å; P58-T72 VanDerWaalsContact O-CA 3.29Å; P58-T72 WeakPolarHBondContact O-CA 3.22Å; P58-T73 PolarHBondContact O-N 2.99Å |
| 59 | F | 96.3 | Very high | 85.9 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 128.3 | 179.3 | 179.7 | -110.4 | 0 | 0 | 0 | 110.3 | H57 F61 Y70 I71 T72 P99 A103 | H57-F59 PolarHBondContact O-N 3Å; F59-F61 HydrophobicContact CD1-CD1 4.32Å; F59-F61 AromaticContact CE1-CD1 3.7Å; F59-F61 HydrophobicContact CE1-CD1 3.7Å; F59-F61 HydrophobicContact CE1-CE1 4.43Å; F59-F61 HydrophobicContact CZ-CB 4.47Å; F59-F61 HydrophobicContact CZ-CD1 4.39Å; F59-Y70 HydrophobicContact CE2-CD1 4.35Å; F59-Y70 AromaticContact CZ-CD1 3.79Å; F59-Y70 HydrophobicContact CZ-CD1 3.79Å; F59-I71 VanDerWaalsContact CA-O 3.31Å; F59-I71 WeakPolarHBondContact CA-O 3.43Å; F59-T72 WeakPolarHBondContact CD2-OG1 3.41Å; F59-P99 HydrophobicContact CE1-CB 4.21Å; F59-P99 HydrophobicContact CZ-CB 4.48Å; F59-P99 WeakPolarHBondContact CZ-O 3.27Å; F59-A103 HydrophobicContact CD1-CB 4.18Å; F59-A103 HydrophobicContact CD2-CB 4.02Å; F59-A103 HydrophobicContact CE1-CB 3.84Å; F59-A103 HydrophobicContact CE2-CB 3.67Å; F59-A103 HydrophobicContact CG-CB 4.24Å; F59-A103 HydrophobicContact CZ-CB 3.55Å |
| 60 | V | 96.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.2 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | H57 I71 I190 Y216 | H57-V60 HydrophobicContact CB-CG1 3.68Å; V60-I71 HydrophobicContact CG2-CB 3.78Å; V60-I71 HydrophobicContact CG2-CD1 4.36Å; V60-I71 HydrophobicContact CG2-CG1 4.34Å; V60-I71 PolarHBondContact N-O 2.84Å; V60-I71 PolarHBondContact O-N 2.86Å; V60-I190 HydrophobicContact CG1-CG1 4.27Å; V60-I190 HydrophobicContact CG1-CG2 4.11Å; V60-Y216 HydrophobicContact CB-CD1 4.23Å; V60-Y216 HydrophobicContact CB-CE1 4.35Å; V60-Y216 HydrophobicContact CG1-CE1 4.47Å; V60-Y216 HydrophobicContact CG2-CD1 4.38Å; V60-Y216 HydrophobicContact CG2-CE1 4.27Å |
| 61 | F | 97.9 | Very high | 87.3 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.7 | 175 | 66 | -87.9 | 0 | 0 | 0 | 112.2 | F59 W68 F69 Y70 F97 P99 Q194 S215 | F59-F61 HydrophobicContact CD1-CD1 4.32Å; F59-F61 AromaticContact CE1-CD1 3.7Å; F59-F61 HydrophobicContact CE1-CD1 3.7Å; F59-F61 HydrophobicContact CE1-CE1 4.43Å; F59-F61 HydrophobicContact CZ-CB 4.47Å; F59-F61 HydrophobicContact CZ-CD1 4.39Å; F61-W68 HydrophobicContact CD2-CZ3 4.34Å; F61-F69 WeakPolarHBondContact CA-O 3.35Å; F61-F69 WeakPolarHBondContact CB-O 3.45Å; F61-Y70 HydrophobicContact CB-CD1 3.44Å; F61-Y70 VanDerWaalsContact CB-CD1 3.44Å; F61-Y70 HydrophobicContact CB-CE1 3.69Å; F61-Y70 HydrophobicContact CB-CG 4.38Å; F61-Y70 HydrophobicContact CG-CD1 4.35Å; F61-Y70 HydrophobicContact CG-CE1 4.27Å; F61-F97 HydrophobicContact CD2-CE2 4.2Å; F61-F97 AromaticContact CE2-CE2 3.8Å; F61-F97 HydrophobicContact CE2-CE2 3.8Å; F61-F97 HydrophobicContact CE2-CZ 4.43Å; F61-P99 HydrophobicContact CD1-CB 4.16Å; F61-P99 HydrophobicContact CD1-CG 4.4Å; F61-P99 HydrophobicContact CD2-CG 4.19Å; F61-P99 HydrophobicContact CE1-CB 4.17Å; F61-P99 HydrophobicContact CE1-CG 4.27Å; F61-P99 HydrophobicContact CE2-CG 4.08Å; F61-P99 HydrophobicContact CG-CB 4.45Å; F61-P99 HydrophobicContact CG-CG 4.36Å; F61-P99 HydrophobicContact CZ-CB 4.49Å; F61-P99 HydrophobicContact CZ-CG 4.11Å; F61-Q194 HydrophobicContact CD1-CG 4.39Å; F61-Q194 HydrophobicContact CE1-CB 3.79Å; F61-Q194 HydrophobicContact CE1-CG 3.98Å; F61-Q194 HydrophobicContact CE2-CG 4.43Å; F61-Q194 HydrophobicContact CZ-CB 3.74Å; F61-Q194 HydrophobicContact CZ-CG 4.01Å; F61-Q194 PolarHBondContact O-NE2 3.35Å; F61-S215 WeakPolarHBondContact CD2-OG 3.39Å; F61-S215 WeakPolarHBondContact CE2-OG 3.47Å; F61-S215 PolarHBondContact O-OG 2.96Å |
| 62 | G | 97.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | -174.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W68 F69 S215 | G62-W68 WeakPolarHBondContact O-CA 3.44Å; G62-W68 VanDerWaalsContact O-CE3 3.27Å; G62-F69 VanDerWaalsContact CA-CZ 3.49Å; G62-F69 PolarHBondContact N-O 3.4Å; G62-F69 VanDerWaalsContact N-O 3.07Å; G62-F69 WeakPolarHBondContact O-CD1 3.32Å; G62-F69 PolarHBondContact O-N 3.24Å; G62-S215 WeakPolarHBondContact CA-OG 3.2Å |
| 63 | Q | 95.8 | Very high | 90.3 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.065 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.5 | -174.9 | -160.5 | -155.6 | 139.6 | 0 | 0 | 110.9 | T67 W68 T211 L213 H214 | Q63-T67 WeakPolarHBondContact CA-O 3.36Å; Q63-W68 HydrophobicContact CB-CD2 4.1Å; Q63-W68 HydrophobicContact CB-CE3 3.94Å; Q63-W68 HydrophobicContact CB-CH2 4.27Å; Q63-W68 HydrophobicContact CB-CZ2 4.4Å; Q63-W68 HydrophobicContact CB-CZ3 4.02Å; Q63-W68 HydrophobicContact CG-CD2 4Å; Q63-W68 HydrophobicContact CG-CE3 4.36Å; Q63-W68 HydrophobicContact CG-CG 4.34Å; Q63-W68 HydrophobicContact CG-CZ2 4.33Å; Q63-T211 PolarHBondContact NE2-O 3.33Å; Q63-T211 PolarHBondContact OE1-O 2.95Å; Q63-L213 VanDerWaalsContact CB-O 3.25Å; Q63-L213 WeakPolarHBondContact CB-O 3.38Å; Q63-L213 PolarHBondContact NE2-O 2.82Å; Q63-H214 PolarHBondContact O-ND1 3.27Å; Q63-H214 VanDerWaalsContact O-ND1 3.11Å |
| 64 | Y | 94.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.1 | 172.5 | 178.5 | -107.8 | 0 | 0 | 0 | 109.9 | L39 L42 R66 T67 A226 | L39-Y64 HydrophobicContact CD1-CD1 4.42Å; L42-Y64 VanDerWaalsContact CD2-CB 3.46Å; L42-Y64 HydrophobicContact CD2-CD1 3.49Å; L42-Y64 VanDerWaalsContact CD2-CD1 3.49Å; L42-Y64 HydrophobicContact CD2-CD2 3.84Å; L42-Y64 HydrophobicContact CD2-CE1 4.12Å; L42-Y64 HydrophobicContact CD2-CE2 4.44Å; L42-Y64 HydrophobicContact CD2-CG 3.31Å; Y64-R66 PolarHBondContact O-N 2.9Å; Y64-T67 PolarHBondContact N-O 3.03Å; Y64-T67 WeakPolarHBondContact O-CB 3.4Å; Y64-T67 PolarHBondContact O-N 3.28Å; Y64-A226 HydrophobicContact CD2-CB 4.04Å; Y64-A226 HydrophobicContact CE2-CB 3.61Å |
| 65 | R | 92.3 | Very high | 93.5 | Very high | 154 Ų | 154 | 47.7 Ų | 47.7 | 58% | 0.581 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 52.5 | 180 | -60.4 | -175.1 | 177.7 | -166.4 | -2.2 | 113.3 | T67 A226 | R65-T67 PolarHBondContact O-N 3.44Å; R65-T67 VanDerWaalsContact O-N 3.15Å; R65-A226 HydrophobicContact CG-CB 3.91Å |
| 66 | R | 91.9 | Very high | 94.6 | Very high | 209 Ų | 209 | 41.4 Ų | 41.4 | 79% | 0.789 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | 10.7 | -178.6 | -55.8 | -177.1 | 177.1 | -179 | -1.5 | 115.8 | Y64 | Y64-R66 PolarHBondContact O-N 2.9Š|
| 67 | T | 95.6 | Very high | 95 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.4 | 170.2 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | L13 Q63 Y64 R65 T93 | L13-T67 HydrophobicContact CD1-CG2 3.77Å; Q63-T67 WeakPolarHBondContact CA-O 3.36Å; Y64-T67 PolarHBondContact N-O 3.03Å; Y64-T67 WeakPolarHBondContact O-CB 3.4Å; Y64-T67 PolarHBondContact O-N 3.28Å; R65-T67 PolarHBondContact O-N 3.44Å; R65-T67 VanDerWaalsContact O-N 3.15Å; T67-T93 HydrophobicContact CG2-CG2 4.27Å |
| 68 | W | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.2 | 170.6 | -71.1 | 95.3 | 0 | 0 | 0 | 109.8 | F61 G62 Q63 Y70 T93 T94 F97 W210 L213 | F61-W68 HydrophobicContact CD2-CZ3 4.34Å; G62-W68 WeakPolarHBondContact O-CA 3.44Å; G62-W68 VanDerWaalsContact O-CE3 3.27Å; Q63-W68 HydrophobicContact CB-CD2 4.1Å; Q63-W68 HydrophobicContact CB-CE3 3.94Å; Q63-W68 HydrophobicContact CB-CH2 4.27Å; Q63-W68 HydrophobicContact CB-CZ2 4.4Å; Q63-W68 HydrophobicContact CB-CZ3 4.02Å; Q63-W68 HydrophobicContact CG-CD2 4Å; Q63-W68 HydrophobicContact CG-CE3 4.36Å; Q63-W68 HydrophobicContact CG-CG 4.34Å; Q63-W68 HydrophobicContact CG-CZ2 4.33Å; W68-Y70 HydrophobicContact CB-CE2 3.66Å; W68-T93 CarbonylContact O-C 3.55Å; W68-T93 WeakPolarHBondContact O-CA 3.46Å; W68-T94 PolarHBondContact N-O 2.82Å; W68-T94 PolarHBondContact O-N 3.29Å; W68-F97 HydrophobicContact CD2-CD2 4.34Å; W68-F97 HydrophobicContact CE3-CD2 4.01Å; W68-F97 HydrophobicContact CH2-CB 4.31Å; W68-F97 AromaticContact CH2-CD2 3.3Å; W68-F97 HydrophobicContact CH2-CD2 3.3Å; W68-F97 AromaticContact CH2-CE2 3.93Å; W68-F97 HydrophobicContact CH2-CE2 3.93Å; W68-F97 HydrophobicContact CH2-CG 4.15Å; W68-F97 HydrophobicContact CZ2-CB 3.8Å; W68-F97 AromaticContact CZ2-CD2 3.7Å; W68-F97 HydrophobicContact CZ2-CD2 3.7Å; W68-F97 HydrophobicContact CZ2-CG 4.13Å; W68-F97 AromaticContact CZ3-CD2 3.5Å; W68-F97 HydrophobicContact CZ3-CD2 3.5Å; W68-F97 AromaticContact CZ3-CE2 3.98Å; W68-F97 HydrophobicContact CZ3-CE2 3.98Å; W68-W210 VanDerWaalsContact CZ2-O 3.3Å; W68-W210 WeakPolarHBondContact CZ2-O 3.03Å; W68-L213 HydrophobicContact CH2-CB 3.75Å; W68-L213 HydrophobicContact CH2-CD1 4.38Å; W68-L213 HydrophobicContact CZ2-CB 4.47Å |
| 69 | F | 98.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.1 | 169.2 | 63.1 | -98.2 | 0 | 0 | 0 | 110.2 | L43 K46 F61 G62 I71 L92 T93 Y216 | L43-F69 HydrophobicContact CD2-CB 3.55Å; L43-F69 HydrophobicContact CD2-CD1 4.2Å; L43-F69 HydrophobicContact CD2-CD2 4.25Å; L43-F69 HydrophobicContact CD2-CG 3.75Å; K46-F69 HydrophobicContact CB-CE2 4.13Å; K46-F69 HydrophobicContact CB-CZ 4.45Å; K46-F69 HydrophobicContact CD-CE2 4.24Å; K46-F69 HydrophobicContact CD-CZ 3.83Å; K46-F69 HydrophobicContact CG-CE1 4.47Å; K46-F69 HydrophobicContact CG-CE2 4.02Å; K46-F69 HydrophobicContact CG-CZ 3.84Å; F61-F69 WeakPolarHBondContact CA-O 3.35Å; F61-F69 WeakPolarHBondContact CB-O 3.45Å; G62-F69 VanDerWaalsContact CA-CZ 3.49Å; G62-F69 PolarHBondContact N-O 3.4Å; G62-F69 VanDerWaalsContact N-O 3.07Å; G62-F69 WeakPolarHBondContact O-CD1 3.32Å; G62-F69 PolarHBondContact O-N 3.24Å; F69-I71 HydrophobicContact CD2-CD1 4.09Å; F69-I71 HydrophobicContact CD2-CG1 4.13Å; F69-I71 HydrophobicContact CE2-CD1 4.49Å; F69-L92 CarbonylContact C-O 3.56Å; F69-L92 WeakPolarHBondContact CA-O 3.47Å; F69-T93 HydrophobicContact CB-CG2 4.36Å; F69-Y216 HydrophobicContact CE2-CD1 4.49Å |
| 70 | Y | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.3 | 178.2 | -57.3 | -83.5 | 0 | 0 | 0 | 107.7 | F59 F61 W68 V91 L92 T94 D96 F97 N98 P99 Y102 | F59-Y70 HydrophobicContact CE2-CD1 4.35Å; F59-Y70 AromaticContact CZ-CD1 3.79Å; F59-Y70 HydrophobicContact CZ-CD1 3.79Å; F61-Y70 HydrophobicContact CB-CD1 3.44Å; F61-Y70 VanDerWaalsContact CB-CD1 3.44Å; F61-Y70 HydrophobicContact CB-CE1 3.69Å; F61-Y70 HydrophobicContact CB-CG 4.38Å; F61-Y70 HydrophobicContact CG-CD1 4.35Å; F61-Y70 HydrophobicContact CG-CE1 4.27Å; W68-Y70 HydrophobicContact CB-CE2 3.66Å; Y70-V91 CarbonylContact O-C 3.54Å; Y70-V91 WeakPolarHBondContact O-CA 3.28Å; Y70-L92 PolarHBondContact N-O 3.48Å; Y70-L92 PolarHBondContact O-N 3.41Å; Y70-T94 HydrophobicContact CD2-CG2 4.22Å; Y70-T94 HydrophobicContact CE2-CG2 4.07Å; Y70-T94 WeakPolarHBondContact CE2-OG1 3.44Å; Y70-D96 PolarHBondContact OH-O 2.96Å; Y70-D96 VanDerWaalsContact OH-O 3.07Å; Y70-F97 WeakPolarHBondContact OH-CA 3.47Å; Y70-N98 PolarHBondContact OH-N 2.55Å; Y70-N98 VanDerWaalsContact OH-N 3.11Å; Y70-P99 HydrophobicContact CE1-CB 4.31Å; Y70-P99 HydrophobicContact CE1-CG 4.24Å; Y70-Y102 HydrophobicContact CD1-CD2 4.41Å; Y70-Y102 AromaticContact CD2-CD2 3.68Å; Y70-Y102 HydrophobicContact CD2-CD2 3.68Å; Y70-Y102 AromaticContact CD2-CG 3.84Å; Y70-Y102 HydrophobicContact CD2-CG 3.84Å; Y70-Y102 HydrophobicContact CE1-CD2 4.05Å; Y70-Y102 AromaticContact CE2-CD2 3.23Å; Y70-Y102 HydrophobicContact CE2-CD2 3.23Å; Y70-Y102 AromaticContact CE2-CE2 3.86Å; Y70-Y102 HydrophobicContact CE2-CE2 3.86Å; Y70-Y102 AromaticContact CE2-CG 3.9Å; Y70-Y102 HydrophobicContact CE2-CG 3.9Å; Y70-Y102 HydrophobicContact CG-CD2 4.25Å; Y70-Y102 HydrophobicContact CG-CG 4.21Å; Y70-Y102 AromaticContact CZ-CD2 3.45Å; Y70-Y102 VanDerWaalsContact CZ-CD2 3.45Å |
| 71 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.2 | -174.4 | -51.5 | -179.3 | 0 | 0 | 0 | 108 | L43 K46 C47 F59 V60 F69 I90 V91 | L43-I71 HydrophobicContact CD2-CD1 4.43Å; K46-I71 HydrophobicContact CB-CD1 3.67Å; C47-I71 HydrophobicContact CB-CG2 4.26Å; F59-I71 VanDerWaalsContact CA-O 3.31Å; F59-I71 WeakPolarHBondContact CA-O 3.43Å; V60-I71 HydrophobicContact CG2-CB 3.78Å; V60-I71 HydrophobicContact CG2-CD1 4.36Å; V60-I71 HydrophobicContact CG2-CG1 4.34Å; V60-I71 PolarHBondContact N-O 2.84Å; V60-I71 PolarHBondContact O-N 2.86Å; F69-I71 HydrophobicContact CD2-CD1 4.09Å; F69-I71 HydrophobicContact CD2-CG1 4.13Å; F69-I71 HydrophobicContact CE2-CD1 4.49Å; I71-I90 WeakPolarHBondContact CA-O 3.48Å; I71-V91 HydrophobicContact CD1-CG2 4.31Å; I71-V91 HydrophobicContact CG1-CB 4.47Å; I71-V91 HydrophobicContact CG1-CG1 4.1Å; I71-V91 HydrophobicContact CG1-CG2 4.07Å; I71-V91 HydrophobicContact CG2-CG2 4.24Å |
| 72 | T | 97.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.7 | 168.9 | -68.9 | 0 | 0 | 0 | 0 | 108.6 | P58 F59 I74 S89 I90 T106 R107 | P58-T72 CarbonylContact O-C 3.5Å; P58-T72 VanDerWaalsContact O-CA 3.29Å; P58-T72 WeakPolarHBondContact O-CA 3.22Å; F59-T72 WeakPolarHBondContact CD2-OG1 3.41Å; T72-I74 HydrophobicContact CG2-CD1 4.5Å; T72-I74 HydrophobicContact CG2-CG1 4.2Å; T72-S89 CarbonylContact O-C 3.56Å; T72-S89 VanDerWaalsContact O-CA 3.25Å; T72-S89 WeakPolarHBondContact O-CA 3.37Å; T72-I90 PolarHBondContact N-O 3.07Å; T72-I90 PolarHBondContact O-N 3.25Å; T72-T106 WeakPolarHBondContact OG1-CB 3.2Å; T72-T106 PolarHBondContact OG1-OG1 3.28Å; T72-R107 HydrophobicContact CG2-CG 4.27Å |
| 73 | T | 95.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.1 | -179.6 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | L49 L56 P58 F88 S89 | L49-T73 HydrophobicContact CD2-CG2 3.55Å; L49-T73 HydrophobicContact CG-CG2 4.2Å; L56-T73 HydrophobicContact CD2-CG2 4.32Å; P58-T73 PolarHBondContact O-N 2.99Å; T73-F88 WeakPolarHBondContact CA-O 3.31Å; T73-S89 WeakPolarHBondContact CG2-OG 3.29Å; T73-S89 PolarHBondContact OG1-OG 2.84Å |
| 74 | I | 93.8 | Very high | 93.3 | Very high | 46 Ų | 46 | 71.5 Ų | 71.5 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.3 | -179.3 | -63 | -164.8 | 0 | 0 | 0 | 110.2 | T72 H87 F88 C110 L114 | T72-I74 HydrophobicContact CG2-CD1 4.5Å; T72-I74 HydrophobicContact CG2-CG1 4.2Å; I74-H87 VanDerWaalsContact O-CA 3.31Å; I74-H87 WeakPolarHBondContact O-CA 3Å; I74-F88 HydrophobicContact CB-CE1 3.97Å; I74-F88 HydrophobicContact CB-CZ 3.95Å; I74-F88 HydrophobicContact CD1-CZ 4.49Å; I74-F88 HydrophobicContact CG2-CE1 4.07Å; I74-F88 HydrophobicContact CG2-CZ 4.29Å; I74-F88 PolarHBondContact N-O 3.4Å; I74-F88 PolarHBondContact O-N 2.85Å; I74-C110 HydrophobicContact CD1-CB 3.32Å; I74-C110 HydrophobicContact CG1-CB 4.2Å; I74-L114 HydrophobicContact CG2-CD1 4.19Å |
| 75 | E | 93.3 | Very high | 93.3 | Very high | 134 Ų | 134 | 71.3 Ų | 71.3 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.7 | 164 | -177.7 | 176.5 | -171 | 0 | 0 | 110.1 | P77 H87 | E75-P77 WeakPolarHBondContact O-CD 3.27Å; E75-H87 VanDerWaalsContact CA-CD2 3.49Å; E75-H87 WeakPolarHBondContact CA-CD2 3.48Å |
| 76 | V | 93.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -80 | 121.7 | -178.6 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | S80 L82 V85 T86 F88 L114 | V76-S80 VanDerWaalsContact CG1-CB 3.46Å; V76-L82 HydrophobicContact CG1-CB 3.89Å; V76-L82 HydrophobicContact CG1-CD1 4.49Å; V76-L82 HydrophobicContact CG2-CD1 4.25Å; V76-V85 WeakPolarHBondContact CB-O 3.48Å; V76-V85 HydrophobicContact CG2-CB 4.25Å; V76-V85 HydrophobicContact CG2-CG1 3.89Å; V76-T86 WeakPolarHBondContact CB-O 3.49Å; V76-T86 PolarHBondContact N-O 2.68Å; V76-F88 HydrophobicContact CG2-CD1 3.66Å; V76-F88 HydrophobicContact CG2-CE1 4.07Å; V76-L114 HydrophobicContact CG1-CD2 4.47Å |
| 77 | P | 92.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.3 | 174.8 | -20.9 | 32.7 | 0 | 0 | 0 | 111.6 | E75 S79 S80 | E75-P77 WeakPolarHBondContact O-CD 3.27Å; P77-S79 PolarHBondContact O-N 3Å; P77-S79 VanDerWaalsContact O-N 3.08Å; P77-S80 WeakPolarHBondContact O-CB 3.48Å; P77-S80 PolarHBondContact O-N 3.41Å |
| 78 | E | 84.8 | Confident | 93.5 | Very high | 204 Ų | 204 | 56.1 Ų | 56.1 | 95% | 0.953 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.3 | 178.4 | -64.6 | -175.4 | 169.4 | 0 | 0 | 113.5 | S80 | E78-S80 PolarHBondContact O-N 2.99Š|
| 79 | S | 85.9 | Confident | 93.5 | Very high | 117 Ų | 117 | 56 Ų | 56 | 82% | 0.818 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.5 | 177.6 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | P77 | P77-S79 PolarHBondContact O-N 3Å; P77-S79 VanDerWaalsContact O-N 3.08Å |
| 80 | S | 90 | Very high | 93.4 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -68.4 | 155 | -178.3 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | V76 P77 E78 L82 | V76-S80 VanDerWaalsContact CG1-CB 3.46Å; P77-S80 WeakPolarHBondContact O-CB 3.48Å; P77-S80 PolarHBondContact O-N 3.41Å; E78-S80 PolarHBondContact O-N 2.99Å; S80-L82 PolarHBondContact O-N 3.29Å; S80-L82 PolarHBondContact OG-N 2.89Å |
| 81 | I | 92.1 | Very high | 93.4 | Very high | 96 Ų | 96 | 55.9 Ų | 55.9 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -67.6 | -17.9 | 169.9 | 56.7 | 177.9 | 0 | 0 | 0 | 112.7 | K83 K115 | I81-K83 VanDerWaalsContact C-N 3.27Å; I81-K83 PolarHBondContact O-N 2.78Å; I81-K115 WeakPolarHBondContact CD1-O 3.42Å |
| 82 | L | 92.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | trans | -80.7 | 63.1 | -179.5 | -64.8 | 176.1 | 0 | 0 | 0 | 112.3 | V76 S80 K84 V85 F88 Y113 L114 | V76-L82 HydrophobicContact CG1-CB 3.89Å; V76-L82 HydrophobicContact CG1-CD1 4.49Å; V76-L82 HydrophobicContact CG2-CD1 4.25Å; S80-L82 PolarHBondContact O-N 3.29Å; S80-L82 PolarHBondContact OG-N 2.89Å; L82-K84 PolarHBondContact O-N 2.86Å; L82-V85 HydrophobicContact CB-CB 4.16Å; L82-V85 HydrophobicContact CB-CG2 4.35Å; L82-V85 PolarHBondContact O-N 3.33Å; L82-F88 HydrophobicContact CD1-CD1 4.46Å; L82-Y113 HydrophobicContact CD1-CD1 3.82Å; L82-Y113 HydrophobicContact CD1-CE1 3.54Å; L82-Y113 HydrophobicContact CD2-CE1 4Å; L82-Y113 HydrophobicContact CG-CE1 4.44Å; L82-L114 HydrophobicContact CD1-CD2 4.33Å | ||
| 83 | K | 90.3 | Very high | 93.4 | Very high | 188 Ų | 188 | 56.3 Ų | 56.3 | 82% | 0.817 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.1 | -171.1 | -60.9 | -173.2 | 179.6 | -175.4 | 0 | 116.4 | I81 | I81-K83 VanDerWaalsContact C-N 3.27Å; I81-K83 PolarHBondContact O-N 2.78Å |
| 84 | K | 92.4 | Very high | 93.5 | Very high | 164 Ų | 164 | 55.9 Ų | 55.9 | 71% | 0.713 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 4.6 | -176.7 | -64.4 | -172.5 | 178.2 | -175.1 | 0 | 113.3 | D21 T22 L82 | D21-K84 CarbonylContact C-O 3.53Å; D21-K84 WeakPolarHBondContact CA-O 3.23Å; D21-K84 WeakPolarHBondContact CB-O 3.33Å; T22-K84 PolarHBondContact N-O 3.31Å; T22-K84 VanDerWaalsContact N-O 3.15Å; L82-K84 PolarHBondContact O-N 2.86Å |
| 85 | V | 93.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.6 | -173.7 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | E19 V76 L82 H87 F88 | E19-V85 HydrophobicContact CB-CG1 4.1Å; E19-V85 HydrophobicContact CG-CG1 4.25Å; E19-V85 HydrophobicContact CG-CG2 4.45Å; V76-V85 WeakPolarHBondContact CB-O 3.48Å; V76-V85 HydrophobicContact CG2-CB 4.25Å; V76-V85 HydrophobicContact CG2-CG1 3.89Å; L82-V85 HydrophobicContact CB-CB 4.16Å; L82-V85 HydrophobicContact CB-CG2 4.35Å; L82-V85 PolarHBondContact O-N 3.33Å; V85-H87 WeakPolarHBondContact CG1-O 3.43Å; V85-F88 HydrophobicContact CG1-CB 4.33Å |
| 86 | T | 93.6 | Very high | 93.7 | Very high | 47 Ų | 47 | 54.4 Ų | 54.4 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -39.6 | 175.1 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | K20 D21 T22 V76 | K20-T86 PolarHBondContact O-N 3.37Å; K20-T86 PolarHBondContact O-OG1 2.77Å; D21-T86 PolarHBondContact O-OG1 3.4Å; T22-T86 HydrophobicContact CG2-CG2 4.08Å; V76-T86 WeakPolarHBondContact CB-O 3.49Å; V76-T86 PolarHBondContact N-O 2.68Å |
| 87 | H | 94.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.8 | -179.6 | -59.9 | 74.9 | 0 | 0 | 0 | 110.1 | K20 L49 L56 I74 E75 V85 | K20-H87 HydrophobicContact CB-CB 4.18Å; K20-H87 PolarHBondContact N-O 3.09Å; K20-H87 PolarHBondContact O-N 3.42Å; L49-H87 HydrophobicContact CD2-CB 3.48Å; L49-H87 VanDerWaalsContact CD2-CB 3.48Å; L56-H87 WeakPolarHBondContact CD1-CD2 3.33Å; L56-H87 VanDerWaalsContact CD1-NE2 3.26Å; L56-H87 WeakPolarHBondContact CD1-NE2 3.48Å; I74-H87 VanDerWaalsContact O-CA 3.31Å; I74-H87 WeakPolarHBondContact O-CA 3Å; E75-H87 VanDerWaalsContact CA-CD2 3.49Å; E75-H87 WeakPolarHBondContact CA-CD2 3.48Å; V85-H87 WeakPolarHBondContact CG1-O 3.43Å |
| 88 | F | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157 | 168.5 | 69.5 | -84.1 | 0 | 0 | 0 | 110.9 | L17 I18 E19 T73 I74 V76 L82 V85 I90 C110 Y113 L114 | L17-F88 HydrophobicContact CD1-CB 4.28Å; L17-F88 HydrophobicContact CD1-CD2 4.01Å; L17-F88 HydrophobicContact CD1-CG 4.5Å; I18-F88 CarbonylContact O-C 3.55Å; I18-F88 WeakPolarHBondContact O-CA 3.45Å; I18-F88 VanDerWaalsContact O-CB 3.31Å; I18-F88 WeakPolarHBondContact O-CB 3.33Å; E19-F88 HydrophobicContact CG-CB 4.29Å; T73-F88 WeakPolarHBondContact CA-O 3.31Å; I74-F88 HydrophobicContact CB-CE1 3.97Å; I74-F88 HydrophobicContact CB-CZ 3.95Å; I74-F88 HydrophobicContact CD1-CZ 4.49Å; I74-F88 HydrophobicContact CG2-CE1 4.07Å; I74-F88 HydrophobicContact CG2-CZ 4.29Å; I74-F88 PolarHBondContact N-O 3.4Å; I74-F88 PolarHBondContact O-N 2.85Å; V76-F88 HydrophobicContact CG2-CD1 3.66Å; V76-F88 HydrophobicContact CG2-CE1 4.07Å; L82-F88 HydrophobicContact CD1-CD1 4.46Å; V85-F88 HydrophobicContact CG1-CB 4.33Å; F88-I90 HydrophobicContact CD2-CG1 4.14Å; F88-I90 HydrophobicContact CE2-CD1 4.19Å; F88-I90 HydrophobicContact CE2-CG1 4.04Å; F88-C110 HydrophobicContact CE2-CB 3.78Å; F88-C110 HydrophobicContact CZ-CB 3.85Å; F88-Y113 HydrophobicContact CD1-CD1 4.2Å; F88-Y113 AromaticContact CD2-CD1 3.8Å; F88-Y113 HydrophobicContact CD2-CD1 3.8Å; F88-Y113 HydrophobicContact CD2-CE1 4.42Å; F88-Y113 HydrophobicContact CE1-CD1 4.27Å; F88-Y113 AromaticContact CE2-CD1 3.87Å; F88-Y113 HydrophobicContact CE2-CD1 3.87Å; F88-Y113 AromaticContact CG-CD1 3.98Å; F88-Y113 HydrophobicContact CG-CD1 3.98Å; F88-Y113 HydrophobicContact CG-CE1 4.24Å; F88-Y113 HydrophobicContact CZ-CD1 4.1Å; F88-L114 HydrophobicContact CE1-CD1 4.4Å; F88-L114 HydrophobicContact CE1-CD2 3.77Å; F88-L114 HydrophobicContact CE1-CG 3.81Å; F88-L114 HydrophobicContact CZ-CD1 4.31Å; F88-L114 HydrophobicContact CZ-CD2 4.34Å; F88-L114 HydrophobicContact CZ-CG 3.86Å |
| 89 | S | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133 | 173 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | I18 L49 T72 T73 | I18-S89 PolarHBondContact N-O 2.94Å; I18-S89 PolarHBondContact O-N 2.85Å; L49-S89 WeakPolarHBondContact CD1-OG 3.47Å; T72-S89 CarbonylContact O-C 3.56Å; T72-S89 VanDerWaalsContact O-CA 3.25Å; T72-S89 WeakPolarHBondContact O-CA 3.37Å; T73-S89 WeakPolarHBondContact CG2-OG 3.29Å; T73-S89 PolarHBondContact OG1-OG 2.84Å |
| 90 | I | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.5 | 166.5 | -65.6 | -174.4 | 0 | 0 | 0 | 108.3 | V15 G16 L17 I71 T72 F88 T106 L109 C110 M122 | V15-I90 HydrophobicContact CG2-CG2 4.12Å; G16-I90 WeakPolarHBondContact O-CA 3.46Å; L17-I90 HydrophobicContact CD1-CG1 4.41Å; I71-I90 WeakPolarHBondContact CA-O 3.48Å; T72-I90 PolarHBondContact N-O 3.07Å; T72-I90 PolarHBondContact O-N 3.25Å; F88-I90 HydrophobicContact CD2-CG1 4.14Å; F88-I90 HydrophobicContact CE2-CD1 4.19Å; F88-I90 HydrophobicContact CE2-CG1 4.04Å; I90-T106 HydrophobicContact CG2-CG2 4.21Å; I90-L109 HydrophobicContact CD1-CB 3.52Å; I90-L109 HydrophobicContact CG2-CB 4.23Å; I90-L109 HydrophobicContact CG2-CD1 4.1Å; I90-C110 VanDerWaalsContact CD1-CA 3.44Å; I90-C110 HydrophobicContact CD1-CB 4.09Å; I90-C110 VanDerWaalsContact CD1-SG 3.53Å; I90-M122 HydrophobicContact CD1-CG 4.41Å; I90-M122 HydrophobicContact CD1-SD 3.54Å; I90-M122 VanDerWaalsContact CD1-SD 3.54Å; I90-M122 HydrophobicContact CG1-SD 4.04Å; I90-M122 HydrophobicContact CG2-SD 4.42Å |
| 91 | V | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.6 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | V15 G16 I18 W28 L43 Y70 I71 T93 | V15-V91 CarbonylContact C-O 3.53Å; V15-V91 VanDerWaalsContact CA-O 3.23Å; V15-V91 WeakPolarHBondContact CA-O 3.48Å; G16-V91 PolarHBondContact N-O 3.06Å; G16-V91 PolarHBondContact O-N 3.45Å; I18-V91 HydrophobicContact CD1-CG2 3.71Å; I18-V91 HydrophobicContact CG1-CG2 4.34Å; W28-V91 HydrophobicContact CZ3-CG2 4.4Å; L43-V91 HydrophobicContact CB-CG1 4.47Å; L43-V91 HydrophobicContact CD1-CG1 3.8Å; L43-V91 HydrophobicContact CD2-CG1 3.82Å; L43-V91 HydrophobicContact CG-CG1 4.21Å; Y70-V91 CarbonylContact O-C 3.54Å; Y70-V91 WeakPolarHBondContact O-CA 3.28Å; I71-V91 HydrophobicContact CD1-CG2 4.31Å; I71-V91 HydrophobicContact CG1-CB 4.47Å; I71-V91 HydrophobicContact CG1-CG1 4.1Å; I71-V91 HydrophobicContact CG1-CG2 4.07Å; I71-V91 HydrophobicContact CG2-CG2 4.24Å; V91-T93 HydrophobicContact CG1-CG2 4.44Å |
| 92 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134 | 171.2 | -174.3 | 72.5 | 0 | 0 | 0 | 109.1 | M12 V15 F69 Y70 T94 Y102 F105 T106 Y126 | M12-L92 HydrophobicContact CE-CD1 4.13Å; V15-L92 HydrophobicContact CB-CD1 4.44Å; F69-L92 CarbonylContact C-O 3.56Å; F69-L92 WeakPolarHBondContact CA-O 3.47Å; Y70-L92 PolarHBondContact N-O 3.48Å; Y70-L92 PolarHBondContact O-N 3.41Å; L92-T94 HydrophobicContact CD2-CG2 4.18Å; L92-T94 HydrophobicContact CG-CG2 4.09Å; L92-Y102 HydrophobicContact CD2-CD1 3.22Å; L92-Y102 HydrophobicContact CD2-CE1 3.94Å; L92-Y102 HydrophobicContact CD2-CG 3.8Å; L92-F105 HydrophobicContact CD2-CD1 4Å; L92-T106 HydrophobicContact CB-CG2 3.74Å; L92-T106 HydrophobicContact CD2-CG2 4.34Å; L92-Y126 HydrophobicContact CD1-CD2 3.97Å; L92-Y126 HydrophobicContact CD1-CE2 3.63Å |
| 93 | T | 97.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 111 | L13 G14 L43 T67 W68 F69 V91 | L13-T93 WeakPolarHBondContact CB-O 3.43Å; L13-T93 PolarHBondContact N-O 3.41Å; G14-T93 PolarHBondContact N-O 2.97Å; G14-T93 PolarHBondContact N-OG1 3.19Å; G14-T93 VanDerWaalsContact N-OG1 3.1Å; G14-T93 PolarHBondContact O-N 3.39Å; G14-T93 PolarHBondContact O-OG1 3.18Å; G14-T93 VanDerWaalsContact O-OG1 3.08Å; L43-T93 HydrophobicContact CD1-CG2 4.22Å; T67-T93 HydrophobicContact CG2-CG2 4.27Å; W68-T93 CarbonylContact O-C 3.55Å; W68-T93 WeakPolarHBondContact O-CA 3.46Å; F69-T93 HydrophobicContact CB-CG2 4.36Å; V91-T93 HydrophobicContact CG1-CG2 4.44Å |
| 94 | T | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 173.2 | -173.3 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | L11 M12 W68 Y70 L92 D96 Y102 | L11-T94 CarbonylContact O-C 3.59Å; L11-T94 WeakPolarHBondContact O-CA 3.29Å; L11-T94 WeakPolarHBondContact O-CB 3.36Å; M12-T94 HydrophobicContact CG-CG2 4.16Å; W68-T94 PolarHBondContact N-O 2.82Å; W68-T94 PolarHBondContact O-N 3.29Å; Y70-T94 HydrophobicContact CD2-CG2 4.22Å; Y70-T94 HydrophobicContact CE2-CG2 4.07Å; Y70-T94 WeakPolarHBondContact CE2-OG1 3.44Å; L92-T94 HydrophobicContact CD2-CG2 4.18Å; L92-T94 HydrophobicContact CG-CG2 4.09Å; T94-D96 WeakPolarHBondContact CB-OD1 3.35Å; T94-D96 PolarHBondContact OG1-O 3.4Å; T94-D96 PolarHBondContact OG1-OD1 3.44Å; T94-Y102 HydrophobicContact CG2-CD1 4.16Å; T94-Y102 HydrophobicContact CG2-CD2 4.14Å; T94-Y102 HydrophobicContact CG2-CE1 3.76Å; T94-Y102 HydrophobicContact CG2-CE2 3.74Å; T94-Y102 HydrophobicContact CG2-CG 4.34Å |
| 95 | K | 95.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 18.6 Ų | 18.6 | 53% | 0.526 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -97.8 | -17.4 | 175.2 | -64.8 | -174.6 | -178.6 | 177.2 | 0 | 113.8 | L11 L13 | L11-K95 HydrophobicContact CD2-CB 4.46Å; L11-K95 PolarHBondContact O-N 2.98Å; L13-K95 HydrophobicContact CD1-CG 4.02Å; L13-K95 HydrophobicContact CD2-CD 4.28Å; L13-K95 HydrophobicContact CD2-CG 3.88Å; L13-K95 HydrophobicContact CG-CG 4.05Å |
| 96 | D | 95.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 15% | 0.15 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -114.2 | 152.3 | -174.3 | 66.3 | -43.8 | 0 | 0 | 0 | 112.4 | L11 Y70 T94 Y102 | L11-D96 HydrophobicContact CD1-CB 4.23Å; L11-D96 HydrophobicContact CD2-CB 4.25Å; Y70-D96 PolarHBondContact OH-O 2.96Å; Y70-D96 VanDerWaalsContact OH-O 3.07Å; T94-D96 WeakPolarHBondContact CB-OD1 3.35Å; T94-D96 PolarHBondContact OG1-O 3.4Å; T94-D96 PolarHBondContact OG1-OD1 3.44Å; D96-Y102 WeakPolarHBondContact OD1-CE2 3.35Å; D96-Y102 PolarHBondContact OD1-OH 3.24Å; D96-Y102 PolarHBondContact OD2-OH 3.14Å |
| 97 | F | 96.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | trans | -86.1 | 108.2 | 173.5 | 177.6 | -100.4 | 0 | 0 | 0 | 110.7 | F61 W68 Y70 P99 A153 Y154 R198 W210 L213 | F61-F97 HydrophobicContact CD2-CE2 4.2Å; F61-F97 AromaticContact CE2-CE2 3.8Å; F61-F97 HydrophobicContact CE2-CE2 3.8Å; F61-F97 HydrophobicContact CE2-CZ 4.43Å; W68-F97 HydrophobicContact CD2-CD2 4.34Å; W68-F97 HydrophobicContact CE3-CD2 4.01Å; W68-F97 HydrophobicContact CH2-CB 4.31Å; W68-F97 AromaticContact CH2-CD2 3.3Å; W68-F97 HydrophobicContact CH2-CD2 3.3Å; W68-F97 AromaticContact CH2-CE2 3.93Å; W68-F97 HydrophobicContact CH2-CE2 3.93Å; W68-F97 HydrophobicContact CH2-CG 4.15Å; W68-F97 HydrophobicContact CZ2-CB 3.8Å; W68-F97 AromaticContact CZ2-CD2 3.7Å; W68-F97 HydrophobicContact CZ2-CD2 3.7Å; W68-F97 HydrophobicContact CZ2-CG 4.13Å; W68-F97 AromaticContact CZ3-CD2 3.5Å; W68-F97 HydrophobicContact CZ3-CD2 3.5Å; W68-F97 AromaticContact CZ3-CE2 3.98Å; W68-F97 HydrophobicContact CZ3-CE2 3.98Å; Y70-F97 WeakPolarHBondContact OH-CA 3.47Å; F97-P99 HydrophobicContact CD2-CG 4.05Å; F97-P99 HydrophobicContact CE1-CG 4.02Å; F97-P99 HydrophobicContact CE2-CG 3.36Å; F97-P99 VanDerWaalsContact CZ-CD 3.48Å; F97-P99 HydrophobicContact CZ-CG 3.35Å; F97-A153 HydrophobicContact CE1-CB 4.4Å; F97-Y154 AromaticContact CD1-CD1 3.84Å; F97-Y154 HydrophobicContact CD1-CD1 3.84Å; F97-Y154 AromaticContact CD1-CE1 3.78Å; F97-Y154 HydrophobicContact CD1-CE1 3.78Å; F97-Y154 HydrophobicContact CE1-CD1 4.22Å; F97-R198 HydrophobicContact CZ-CB 4.07Å; F97-W210 HydrophobicContact CB-CB 4.1Å; F97-W210 HydrophobicContact CD1-CB 4.13Å; F97-W210 AromaticContact CD1-CD1 3.38Å; F97-W210 AromaticContact CD1-CG 3.9Å; F97-W210 HydrophobicContact CD1-CG 3.9Å; F97-W210 AromaticContact CE1-CD1 3.24Å; F97-W210 HydrophobicContact CE1-CG 4.17Å; F97-W210 AromaticContact CE1-NE1 3.69Å; F97-W210 HydrophobicContact CG-CB 4.08Å; F97-W210 AromaticContact CG-CD1 3.89Å; F97-W210 HydrophobicContact CG-CG 4.29Å; F97-W210 AromaticContact CZ-CD1 3.63Å; F97-L213 HydrophobicContact CE2-CD1 4.4Å | ||
| 98 | N | 97.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | trans | -153 | 75.4 | 169.4 | -161.6 | -35.6 | 0 | 0 | 0 | 112.1 | Y70 E100 K101 Y102 | Y70-N98 PolarHBondContact OH-N 2.55Å; Y70-N98 VanDerWaalsContact OH-N 3.11Å; N98-E100 VanDerWaalsContact C-N 3.25Å; N98-E100 PolarHBondContact O-N 3.34Å; N98-K101 HydrophobicContact CB-CB 3.93Å; N98-K101 HydrophobicContact CB-CD 4.37Å; N98-K101 PolarHBondContact O-N 3.04Å; N98-K101 WeakPolarHBondContact OD1-CB 3.42Å; N98-K101 PolarHBondContact OD1-N 3.34Å; N98-Y102 HydrophobicContact CB-CD2 4.08Å; N98-Y102 HydrophobicContact CB-CE2 3.85Å; N98-Y102 WeakPolarHBondContact O-CD2 3.4Å; N98-Y102 PolarHBondContact O-N 3.35Å; N98-Y102 VanDerWaalsContact O-N 3.1Å | ||
| 99 | P | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -54.9 | -38.6 | -177.2 | -25.5 | 34.8 | 0 | 0 | 0 | 113.6 | F59 F61 Y70 F97 Y102 A103 | F59-P99 HydrophobicContact CE1-CB 4.21Å; F59-P99 HydrophobicContact CZ-CB 4.48Å; F59-P99 WeakPolarHBondContact CZ-O 3.27Å; F61-P99 HydrophobicContact CD1-CB 4.16Å; F61-P99 HydrophobicContact CD1-CG 4.4Å; F61-P99 HydrophobicContact CD2-CG 4.19Å; F61-P99 HydrophobicContact CE1-CB 4.17Å; F61-P99 HydrophobicContact CE1-CG 4.27Å; F61-P99 HydrophobicContact CE2-CG 4.08Å; F61-P99 HydrophobicContact CG-CB 4.45Å; F61-P99 HydrophobicContact CG-CG 4.36Å; F61-P99 HydrophobicContact CZ-CB 4.49Å; F61-P99 HydrophobicContact CZ-CG 4.11Å; Y70-P99 HydrophobicContact CE1-CB 4.31Å; Y70-P99 HydrophobicContact CE1-CG 4.24Å; F97-P99 HydrophobicContact CD2-CG 4.05Å; F97-P99 HydrophobicContact CE1-CG 4.02Å; F97-P99 HydrophobicContact CE2-CG 3.36Å; F97-P99 VanDerWaalsContact CZ-CD 3.48Å; F97-P99 HydrophobicContact CZ-CG 3.35Å; P99-Y102 PolarHBondContact O-N 2.92Å; P99-A103 WeakPolarHBondContact O-CB 3.48Å; P99-A103 PolarHBondContact O-N 2.94Å |
| 100 | E | 96.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 21 Ų | 21 | 32% | 0.322 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -67.8 | -45.2 | -176.8 | -63.5 | 72.1 | -158.5 | 0 | 0 | 111.4 | N98 A104 A153 R198 | N98-E100 VanDerWaalsContact C-N 3.25Å; N98-E100 PolarHBondContact O-N 3.34Å; E100-A104 WeakPolarHBondContact O-CB 3.39Å; E100-A104 PolarHBondContact O-N 3.27Å; E100-A153 WeakPolarHBondContact OE2-CA 3.45Å; E100-A153 WeakPolarHBondContact OE2-CB 3.31Å; E100-R198 IonicContact OE1-CZ 3.54Å; E100-R198 IonicContact OE1-NH1 3.34Å; E100-R198 PolarHBondContact OE1-NH1 3.25Å; E100-R198 IonicContact OE1-NH2 2.87Å; E100-R198 IonicContact OE2-NH1 2.66Å |
| 101 | K | 96.3 | Very high | 96 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 7% | 0.074 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 173.7 | -179.3 | -177.5 | 175 | -171.8 | 0 | 111.2 | N98 A104 F105 F143 F148 | N98-K101 HydrophobicContact CB-CB 3.93Å; N98-K101 HydrophobicContact CB-CD 4.37Å; N98-K101 PolarHBondContact O-N 3.04Å; N98-K101 WeakPolarHBondContact OD1-CB 3.42Å; N98-K101 PolarHBondContact OD1-N 3.34Å; K101-A104 PolarHBondContact O-N 2.94Å; K101-F105 WeakPolarHBondContact O-CB 3.37Å; K101-F105 PolarHBondContact O-N 2.88Å; K101-F143 HydrophobicContact CG-CZ 3.98Å; K101-F148 HydrophobicContact CB-CB 3.73Å; K101-F148 HydrophobicContact CB-CD1 3.73Å; K101-F148 HydrophobicContact CB-CD2 4.22Å; K101-F148 HydrophobicContact CB-CE1 4.39Å; K101-F148 HydrophobicContact CB-CG 3.62Å; K101-F148 HydrophobicContact CD-CB 4.17Å; K101-F148 HydrophobicContact CG-CB 3.97Å; K101-F148 HydrophobicContact CG-CD1 4.39Å; K101-F148 HydrophobicContact CG-CD2 3.97Å; K101-F148 HydrophobicContact CG-CG 3.85Å |
| 102 | Y | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -80.2 | -27.6 | -171.6 | -61.8 | -49.1 | 0 | 0 | 0 | 112.9 | M12 Y70 L92 T94 D96 N98 P99 T106 | M12-Y102 HydrophobicContact CG-CE1 4.09Å; Y70-Y102 HydrophobicContact CD1-CD2 4.41Å; Y70-Y102 AromaticContact CD2-CD2 3.68Å; Y70-Y102 HydrophobicContact CD2-CD2 3.68Å; Y70-Y102 AromaticContact CD2-CG 3.84Å; Y70-Y102 HydrophobicContact CD2-CG 3.84Å; Y70-Y102 HydrophobicContact CE1-CD2 4.05Å; Y70-Y102 AromaticContact CE2-CD2 3.23Å; Y70-Y102 HydrophobicContact CE2-CD2 3.23Å; Y70-Y102 AromaticContact CE2-CE2 3.86Å; Y70-Y102 HydrophobicContact CE2-CE2 3.86Å; Y70-Y102 AromaticContact CE2-CG 3.9Å; Y70-Y102 HydrophobicContact CE2-CG 3.9Å; Y70-Y102 HydrophobicContact CG-CD2 4.25Å; Y70-Y102 HydrophobicContact CG-CG 4.21Å; Y70-Y102 AromaticContact CZ-CD2 3.45Å; Y70-Y102 VanDerWaalsContact CZ-CD2 3.45Å; L92-Y102 HydrophobicContact CD2-CD1 3.22Å; L92-Y102 HydrophobicContact CD2-CE1 3.94Å; L92-Y102 HydrophobicContact CD2-CG 3.8Å; T94-Y102 HydrophobicContact CG2-CD1 4.16Å; T94-Y102 HydrophobicContact CG2-CD2 4.14Å; T94-Y102 HydrophobicContact CG2-CE1 3.76Å; T94-Y102 HydrophobicContact CG2-CE2 3.74Å; T94-Y102 HydrophobicContact CG2-CG 4.34Å; D96-Y102 WeakPolarHBondContact OD1-CE2 3.35Å; D96-Y102 PolarHBondContact OD1-OH 3.24Å; D96-Y102 PolarHBondContact OD2-OH 3.14Å; N98-Y102 HydrophobicContact CB-CD2 4.08Å; N98-Y102 HydrophobicContact CB-CE2 3.85Å; N98-Y102 WeakPolarHBondContact O-CD2 3.4Å; N98-Y102 PolarHBondContact O-N 3.35Å; N98-Y102 VanDerWaalsContact O-N 3.1Å; P99-Y102 PolarHBondContact O-N 2.92Å; Y102-T106 WeakPolarHBondContact O-CB 3.49Å; Y102-T106 VanDerWaalsContact O-CG2 3.26Å; Y102-T106 WeakPolarHBondContact O-CG2 3.27Å; Y102-T106 PolarHBondContact O-N 3.28Å; Y102-T106 PolarHBondContact O-OG1 3.34Å |
| 103 | A | 96.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.2 | -48.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | F59 P99 F105 T106 R107 | F59-A103 HydrophobicContact CD1-CB 4.18Å; F59-A103 HydrophobicContact CD2-CB 4.02Å; F59-A103 HydrophobicContact CE1-CB 3.84Å; F59-A103 HydrophobicContact CE2-CB 3.67Å; F59-A103 HydrophobicContact CG-CB 4.24Å; F59-A103 HydrophobicContact CZ-CB 3.55Å; P99-A103 WeakPolarHBondContact O-CB 3.48Å; P99-A103 PolarHBondContact O-N 2.94Å; A103-F105 VanDerWaalsContact C-N 3.32Å; A103-F105 PolarHBondContact O-N 3Å; A103-T106 PolarHBondContact O-OG1 3.36Å; A103-R107 WeakPolarHBondContact O-CB 3.28Å; A103-R107 WeakPolarHBondContact O-CD 3.4Å; A103-R107 VanDerWaalsContact O-CG 3.22Å; A103-R107 WeakPolarHBondContact O-CG 3.34Å; A103-R107 PolarHBondContact O-N 3.4Å; A103-R107 VanDerWaalsContact O-N 3.15Å |
| 104 | A | 95.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 28 Ų | 28 | 23% | 0.231 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E100 K101 I108 F143 F148 | E100-A104 WeakPolarHBondContact O-CB 3.39Å; E100-A104 PolarHBondContact O-N 3.27Å; K101-A104 PolarHBondContact O-N 2.94Å; A104-I108 PolarHBondContact O-N 3.26Å; A104-F143 HydrophobicContact CB-CE2 4.33Å; A104-F148 HydrophobicContact CB-CE1 4.04Å; A104-F148 HydrophobicContact CB-CZ 3.74Å |
| 105 | F | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.2 | -47 | -177.3 | -173 | -139.7 | 0 | 0 | 0 | 113.2 | M12 L92 K101 A103 R107 I108 L109 Y126 V129 C135 F143 | M12-F105 HydrophobicContact CE-CD1 4.29Å; M12-F105 HydrophobicContact CE-CE1 3.55Å; M12-F105 HydrophobicContact CE-CZ 4.43Å; M12-F105 HydrophobicContact SD-CE1 4.39Å; L92-F105 HydrophobicContact CD2-CD1 4Å; K101-F105 WeakPolarHBondContact O-CB 3.37Å; K101-F105 PolarHBondContact O-N 2.88Å; A103-F105 VanDerWaalsContact C-N 3.32Å; A103-F105 PolarHBondContact O-N 3Å; F105-R107 VanDerWaalsContact C-N 3.26Å; F105-R107 PolarHBondContact O-N 2.79Å; F105-I108 WeakPolarHBondContact O-CB 3.33Å; F105-I108 PolarHBondContact O-N 3.49Å; F105-L109 HydrophobicContact CD1-CD1 4.36Å; F105-L109 HydrophobicContact CD2-CG 4.41Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; F105-L109 HydrophobicContact CE1-CG 4.47Å; F105-L109 HydrophobicContact CE2-CD1 4.48Å; F105-L109 HydrophobicContact CE2-CD2 3.89Å; F105-L109 HydrophobicContact CE2-CG 4.07Å; F105-L109 HydrophobicContact CZ-CD1 4.09Å; F105-L109 HydrophobicContact CZ-CD2 3.89Å; F105-L109 HydrophobicContact CZ-CG 4.13Å; F105-L109 WeakPolarHBondContact O-CG 3.35Å; F105-L109 PolarHBondContact O-N 3.26Å; F105-Y126 HydrophobicContact CE1-CD2 4.33Å; F105-V129 HydrophobicContact CD2-CG2 4.01Å; F105-V129 HydrophobicContact CE1-CB 4.08Å; F105-V129 HydrophobicContact CE1-CG1 4.19Å; F105-V129 HydrophobicContact CE1-CG2 4.19Å; F105-V129 HydrophobicContact CE2-CB 4.09Å; F105-V129 HydrophobicContact CE2-CG2 3.3Å; F105-V129 HydrophobicContact CZ-CB 3.64Å; F105-V129 HydrophobicContact CZ-CG1 4.19Å; F105-V129 HydrophobicContact CZ-CG2 3.38Å; F105-C135 HydrophobicContact CE2-CB 4.36Å; F105-F143 HydrophobicContact CB-CD2 4.42Å; F105-F143 HydrophobicContact CB-CE1 4.46Å; F105-F143 HydrophobicContact CB-CE2 3.78Å; F105-F143 HydrophobicContact CB-CZ 3.82Å; F105-F143 HydrophobicContact CD2-CD1 4.28Å; F105-F143 HydrophobicContact CD2-CE1 4.26Å; F105-F143 HydrophobicContact CD2-CG 4.46Å; F105-F143 HydrophobicContact CD2-CZ 4.41Å; F105-F143 HydrophobicContact CG-CE1 4.35Å; F105-F143 HydrophobicContact CG-CE2 4.45Å; F105-F143 HydrophobicContact CG-CZ 4.17Å |
| 106 | T | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | T72 I90 L92 Y102 A103 I108 L109 C110 | T72-T106 WeakPolarHBondContact OG1-CB 3.2Å; T72-T106 PolarHBondContact OG1-OG1 3.28Å; I90-T106 HydrophobicContact CG2-CG2 4.21Å; L92-T106 HydrophobicContact CB-CG2 3.74Å; L92-T106 HydrophobicContact CD2-CG2 4.34Å; Y102-T106 WeakPolarHBondContact O-CB 3.49Å; Y102-T106 VanDerWaalsContact O-CG2 3.26Å; Y102-T106 WeakPolarHBondContact O-CG2 3.27Å; Y102-T106 PolarHBondContact O-N 3.28Å; Y102-T106 PolarHBondContact O-OG1 3.34Å; A103-T106 PolarHBondContact O-OG1 3.36Å; T106-I108 VanDerWaalsContact C-N 3.33Å; T106-I108 PolarHBondContact O-N 3.3Å; T106-L109 WeakPolarHBondContact O-CB 3.42Å; T106-L109 PolarHBondContact O-N 3.08Å; T106-C110 PolarHBondContact O-N 2.82Å; T106-C110 PolarHBondContact O-SG 2.8Å |
| 107 | R | 94.6 | Very high | 94.8 | Very high | 127 Ų | 127 | 30.2 Ų | 30.2 | 48% | 0.479 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 171.6 | -74.2 | 171.1 | -175.7 | 143.5 | 1.1 | 113.1 | T72 A103 F105 C110 R111 | T72-R107 HydrophobicContact CG2-CG 4.27Å; A103-R107 WeakPolarHBondContact O-CB 3.28Å; A103-R107 WeakPolarHBondContact O-CD 3.4Å; A103-R107 VanDerWaalsContact O-CG 3.22Å; A103-R107 WeakPolarHBondContact O-CG 3.34Å; A103-R107 PolarHBondContact O-N 3.4Å; A103-R107 VanDerWaalsContact O-N 3.15Å; F105-R107 VanDerWaalsContact C-N 3.26Å; F105-R107 PolarHBondContact O-N 2.79Å; R107-C110 PolarHBondContact O-N 3.24Å; R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-R111 PolarHBondContact O-N 3.07Å |
| 108 | I | 93.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 174.7 | -66.8 | 168.1 | 0 | 0 | 0 | 109.9 | A104 F105 T106 C110 R111 M112 F143 | A104-I108 PolarHBondContact O-N 3.26Å; F105-I108 WeakPolarHBondContact O-CB 3.33Å; F105-I108 PolarHBondContact O-N 3.49Å; T106-I108 VanDerWaalsContact C-N 3.33Å; T106-I108 PolarHBondContact O-N 3.3Å; I108-C110 VanDerWaalsContact C-N 3.26Å; I108-C110 PolarHBondContact O-N 3.39Å; I108-R111 PolarHBondContact O-N 3.02Å; I108-M112 WeakPolarHBondContact O-CG 3.33Å; I108-M112 PolarHBondContact O-N 3.25Å; I108-F143 HydrophobicContact CD1-CB 3.53Å; I108-F143 HydrophobicContact CD1-CD2 4Å; I108-F143 HydrophobicContact CD1-CG 4.05Å |
| 109 | L | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.9 | -39.5 | 176.5 | -63.2 | -177.3 | 0 | 0 | 0 | 111.5 | V15 I90 F105 T106 R111 M112 Y113 M122 | V15-L109 HydrophobicContact CG2-CD1 4.17Å; I90-L109 HydrophobicContact CD1-CB 3.52Å; I90-L109 HydrophobicContact CG2-CB 4.23Å; I90-L109 HydrophobicContact CG2-CD1 4.1Å; F105-L109 HydrophobicContact CD1-CD1 4.36Å; F105-L109 HydrophobicContact CD2-CG 4.41Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; F105-L109 HydrophobicContact CE1-CG 4.47Å; F105-L109 HydrophobicContact CE2-CD1 4.48Å; F105-L109 HydrophobicContact CE2-CD2 3.89Å; F105-L109 HydrophobicContact CE2-CG 4.07Å; F105-L109 HydrophobicContact CZ-CD1 4.09Å; F105-L109 HydrophobicContact CZ-CD2 3.89Å; F105-L109 HydrophobicContact CZ-CG 4.13Å; F105-L109 WeakPolarHBondContact O-CG 3.35Å; F105-L109 PolarHBondContact O-N 3.26Å; T106-L109 WeakPolarHBondContact O-CB 3.42Å; T106-L109 PolarHBondContact O-N 3.08Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.21Å; L109-M112 WeakPolarHBondContact O-CB 3.25Å; L109-M112 PolarHBondContact O-N 3.36Å; L109-Y113 PolarHBondContact O-N 2.69Å; L109-M122 HydrophobicContact CB-CG 3.9Å; L109-M122 HydrophobicContact CB-SD 4.46Å; L109-M122 HydrophobicContact CD1-CG 4.42Å; L109-M122 HydrophobicContact CD2-CG 3.91Å; L109-M122 HydrophobicContact CG-CG 4.29Å |
| 110 | C | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 178.4 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | I74 F88 I90 T106 R107 I108 Y113 L114 | I74-C110 HydrophobicContact CD1-CB 3.32Å; I74-C110 HydrophobicContact CG1-CB 4.2Å; F88-C110 HydrophobicContact CE2-CB 3.78Å; F88-C110 HydrophobicContact CZ-CB 3.85Å; I90-C110 VanDerWaalsContact CD1-CA 3.44Å; I90-C110 HydrophobicContact CD1-CB 4.09Å; I90-C110 VanDerWaalsContact CD1-SG 3.53Å; T106-C110 PolarHBondContact O-N 2.82Å; T106-C110 PolarHBondContact O-SG 2.8Å; R107-C110 PolarHBondContact O-N 3.24Å; I108-C110 VanDerWaalsContact C-N 3.26Å; I108-C110 PolarHBondContact O-N 3.39Å; C110-Y113 PolarHBondContact O-N 3Å; C110-L114 WeakPolarHBondContact O-CG 3.49Å; C110-L114 PolarHBondContact O-N 3.22Å |
| 111 | R | 92.5 | Very high | 93.8 | Very high | 91 Ų | 91 | 36.6 Ų | 36.6 | 34% | 0.343 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.7 | -41 | 176 | -67.3 | 173.7 | -172.6 | -152.8 | 9.1 | 112.1 | R107 I108 L109 Y113 L114 K115 N140 | R107-R111 WeakPolarHBondContact O-CG 3.47Å; R107-R111 PolarHBondContact O-N 3.07Å; I108-R111 PolarHBondContact O-N 3.02Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.21Å; R111-Y113 PolarHBondContact O-N 2.94Å; R111-L114 PolarHBondContact O-N 3.4Å; R111-K115 WeakPolarHBondContact O-CB 3.41Å; R111-K115 PolarHBondContact O-N 2.96Å; R111-N140 PolarHBondContact NH1-ND2 3Å; R111-N140 PolarHBondContact NH1-OD1 2.99Å; R111-N140 PolarHBondContact NH2-ND2 3.21Å |
| 112 | M | 92.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 173 | -67.9 | -63.4 | 97.4 | 0 | 0 | 110.9 | I108 L109 K115 H116 | I108-M112 WeakPolarHBondContact O-CG 3.33Å; I108-M112 PolarHBondContact O-N 3.25Å; L109-M112 WeakPolarHBondContact O-CB 3.25Å; L109-M112 PolarHBondContact O-N 3.36Å; M112-K115 PolarHBondContact O-N 2.86Å; M112-H116 WeakPolarHBondContact O-CB 3.42Å; M112-H116 PolarHBondContact O-CD2 3.3Å; M112-H116 VanDerWaalsContact O-CD2 3.31Å; M112-H116 PolarHBondContact O-N 3.21Å; M112-H116 VanDerWaalsContact O-N 3.08Å |
| 113 | Y | 94.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 176.8 | -167 | -118.2 | 0 | 0 | 0 | 112.6 | L17 E19 L82 F88 L109 C110 R111 K115 H116 G117 | L17-Y113 HydrophobicContact CD1-CD1 4.05Å; L17-Y113 HydrophobicContact CD1-CE1 3.93Å; L17-Y113 HydrophobicContact CD1-CG 4.49Å; L17-Y113 HydrophobicContact CD2-CD2 4.28Å; L17-Y113 HydrophobicContact CD2-CE1 4.04Å; L17-Y113 HydrophobicContact CD2-CE2 3.68Å; E19-Y113 WeakPolarHBondContact OE1-CE1 3.4Å; E19-Y113 VanDerWaalsContact OE1-CZ 3.26Å; E19-Y113 PolarHBondContact OE1-OH 3.31Å; L82-Y113 HydrophobicContact CD1-CD1 3.82Å; L82-Y113 HydrophobicContact CD1-CE1 3.54Å; L82-Y113 HydrophobicContact CD2-CE1 4Å; L82-Y113 HydrophobicContact CG-CE1 4.44Å; F88-Y113 HydrophobicContact CD1-CD1 4.2Å; F88-Y113 AromaticContact CD2-CD1 3.8Å; F88-Y113 HydrophobicContact CD2-CD1 3.8Å; F88-Y113 HydrophobicContact CD2-CE1 4.42Å; F88-Y113 HydrophobicContact CE1-CD1 4.27Å; F88-Y113 AromaticContact CE2-CD1 3.87Å; F88-Y113 HydrophobicContact CE2-CD1 3.87Å; F88-Y113 AromaticContact CG-CD1 3.98Å; F88-Y113 HydrophobicContact CG-CD1 3.98Å; F88-Y113 HydrophobicContact CG-CE1 4.24Å; F88-Y113 HydrophobicContact CZ-CD1 4.1Å; L109-Y113 PolarHBondContact O-N 2.69Å; C110-Y113 PolarHBondContact O-N 3Å; R111-Y113 PolarHBondContact O-N 2.94Å; Y113-K115 VanDerWaalsContact C-N 3.31Å; Y113-K115 PolarHBondContact O-N 3.34Å; Y113-H116 PolarHBondContact O-N 3.09Å; Y113-G117 VanDerWaalsContact O-CA 3.29Å; Y113-G117 WeakPolarHBondContact O-CA 3.37Å; Y113-G117 PolarHBondContact O-N 2.9Å |
| 114 | L | 93.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | 175.8 | -79.3 | 168.7 | 0 | 0 | 0 | 113.2 | I74 V76 L82 F88 C110 R111 | I74-L114 HydrophobicContact CG2-CD1 4.19Å; V76-L114 HydrophobicContact CG1-CD2 4.47Å; L82-L114 HydrophobicContact CD1-CD2 4.33Å; F88-L114 HydrophobicContact CE1-CD1 4.4Å; F88-L114 HydrophobicContact CE1-CD2 3.77Å; F88-L114 HydrophobicContact CE1-CG 3.81Å; F88-L114 HydrophobicContact CZ-CD1 4.31Å; F88-L114 HydrophobicContact CZ-CD2 4.34Å; F88-L114 HydrophobicContact CZ-CG 3.86Å; C110-L114 WeakPolarHBondContact O-CG 3.49Å; C110-L114 PolarHBondContact O-N 3.22Å; R111-L114 PolarHBondContact O-N 3.4Å |
| 115 | K | 92.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 41.8 Ų | 41.8 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -73.8 | -38 | -177.9 | -176.5 | 174.1 | 180 | 172.2 | 0 | 112.9 | I81 R111 M112 Y113 E138 | I81-K115 WeakPolarHBondContact CD1-O 3.42Å; R111-K115 WeakPolarHBondContact O-CB 3.41Å; R111-K115 PolarHBondContact O-N 2.96Å; M112-K115 PolarHBondContact O-N 2.86Å; Y113-K115 VanDerWaalsContact C-N 3.31Å; Y113-K115 PolarHBondContact O-N 3.34Å; K115-E138 IonicContact NZ-OE2 3.62Å; K115-E138 PolarHBondContact NZ-OE2 2.75Å |
| 116 | H | 92.3 | Very high | 93.1 | Very high | 80 Ų | 80 | 41.9 Ų | 41.9 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -110.5 | -18.7 | -170.7 | -64.4 | -69.1 | 0 | 0 | 0 | 114.8 | M112 Y113 S118 K121 | M112-H116 WeakPolarHBondContact O-CB 3.42Å; M112-H116 PolarHBondContact O-CD2 3.3Å; M112-H116 VanDerWaalsContact O-CD2 3.31Å; M112-H116 PolarHBondContact O-N 3.21Å; M112-H116 VanDerWaalsContact O-N 3.08Å; Y113-H116 PolarHBondContact O-N 3.09Å; H116-S118 PolarHBondContact O-N 3.09Å; H116-S118 VanDerWaalsContact O-N 3.16Å; H116-K121 HydrophobicContact CB-CB 4.24Å; H116-K121 HydrophobicContact CB-CG 4Å |
| 117 | G | 91.6 | Very high | 93 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 63 | 23 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y113 | Y113-G117 VanDerWaalsContact O-CA 3.29Å; Y113-G117 WeakPolarHBondContact O-CA 3.37Å; Y113-G117 PolarHBondContact O-N 2.9Å |
| 118 | S | 89.6 | Confident | 92.9 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -142 | 132.8 | -173 | 175 | 0 | 0 | 0 | 0 | 110.5 | H116 V120 | H116-S118 PolarHBondContact O-N 3.09Å; H116-S118 VanDerWaalsContact O-N 3.16Å; S118-V120 PolarHBondContact O-N 3.27Å; S118-V120 PolarHBondContact OG-N 2.98Å |
| 119 | P | 93.2 | Very high | 92.8 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -13.3 | 177.2 | 28.9 | -34.7 | 0 | 0 | 0 | 112.9 | L17 W30 M122 M123 | L17-P119 HydrophobicContact CD2-CB 4.45Å; W30-P119 HydrophobicContact CB-CB 4.14Å; W30-P119 HydrophobicContact CB-CG 4.31Å; W30-P119 HydrophobicContact CD2-CB 3.6Å; W30-P119 HydrophobicContact CD2-CG 4.31Å; W30-P119 HydrophobicContact CE3-CB 4.05Å; W30-P119 HydrophobicContact CG-CB 3.64Å; W30-P119 HydrophobicContact CG-CG 3.89Å; P119-M122 HydrophobicContact CB-CE 4.2Å; P119-M122 WeakPolarHBondContact O-CB 3.35Å; P119-M122 PolarHBondContact O-N 3.36Å; P119-M123 WeakPolarHBondContact O-CB 3.25Å; P119-M123 PolarHBondContact O-N 2.97Å |
| 120 | V | 93 | Very high | 92.7 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -47.1 | -178.9 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | S118 M122 M123 E124 | S118-V120 PolarHBondContact O-N 3.27Å; S118-V120 PolarHBondContact OG-N 2.98Å; V120-M122 VanDerWaalsContact C-N 3.32Å; V120-M122 PolarHBondContact O-N 2.81Å; V120-M123 WeakPolarHBondContact O-CB 3.5Å; V120-M123 PolarHBondContact O-N 2.89Å; V120-M123 VanDerWaalsContact O-N 3.17Å; V120-E124 WeakPolarHBondContact O-CG 3.3Å; V120-E124 PolarHBondContact O-N 2.98Å |
| 121 | K | 90.8 | Very high | 92.5 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.4 | -37 | 178.5 | -68.4 | -52.3 | -171.9 | -172.1 | 0 | 112.4 | H116 M123 E124 S125 | H116-K121 HydrophobicContact CB-CB 4.24Å; H116-K121 HydrophobicContact CB-CG 4Å; K121-M123 VanDerWaalsContact C-N 3.35Å; K121-E124 WeakPolarHBondContact CD-OE2 3.37Å; K121-E124 IonicContact NZ-OE1 2.74Å; K121-E124 PolarHBondContact NZ-OE1 3.49Å; K121-E124 VanDerWaalsContact NZ-OE1 3.12Å; K121-E124 IonicContact NZ-OE2 2.66Å; K121-E124 PolarHBondContact NZ-OE2 3.24Å; K121-E124 PolarHBondContact O-N 3.13Å; K121-S125 PolarHBondContact O-N 3.2Å; K121-S125 VanDerWaalsContact O-N 3.13Å; K121-S125 PolarHBondContact O-OG 3.29Å |
| 122 | M | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 171.7 | -174 | -172.6 | 66.4 | 0 | 0 | 111.8 | V15 L17 W30 I90 L109 P119 V120 S125 Y126 | V15-M122 HydrophobicContact CG2-CE 4.06Å; V15-M122 HydrophobicContact CG2-SD 4.26Å; L17-M122 HydrophobicContact CB-CE 4.33Å; W30-M122 HydrophobicContact CD2-CE 4.39Å; W30-M122 HydrophobicContact CE3-CE 3.36Å; W30-M122 HydrophobicContact CH2-CE 4.05Å; W30-M122 HydrophobicContact CZ3-CE 3.16Å; I90-M122 HydrophobicContact CD1-CG 4.41Å; I90-M122 HydrophobicContact CD1-SD 3.54Å; I90-M122 VanDerWaalsContact CD1-SD 3.54Å; I90-M122 HydrophobicContact CG1-SD 4.04Å; I90-M122 HydrophobicContact CG2-SD 4.42Å; L109-M122 HydrophobicContact CB-CG 3.9Å; L109-M122 HydrophobicContact CB-SD 4.46Å; L109-M122 HydrophobicContact CD1-CG 4.42Å; L109-M122 HydrophobicContact CD2-CG 3.91Å; L109-M122 HydrophobicContact CG-CG 4.29Å; P119-M122 HydrophobicContact CB-CE 4.2Å; P119-M122 WeakPolarHBondContact O-CB 3.35Å; P119-M122 PolarHBondContact O-N 3.36Å; V120-M122 VanDerWaalsContact C-N 3.32Å; V120-M122 PolarHBondContact O-N 2.81Å; M122-S125 PolarHBondContact O-N 2.9Å; M122-Y126 WeakPolarHBondContact O-CB 3Å; M122-Y126 PolarHBondContact O-N 2.7Å |
| 123 | M | 94.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.2 | -172.8 | -175.8 | 68.2 | 0 | 0 | 112.2 | W30 Y32 P119 V120 K121 S125 Y126 I127 | W30-M123 HydrophobicContact CH2-CB 3.65Å; W30-M123 HydrophobicContact CH2-CG 3.86Å; W30-M123 HydrophobicContact CH2-SD 4.35Å; W30-M123 HydrophobicContact CZ2-CB 3.72Å; W30-M123 HydrophobicContact CZ2-CG 3.85Å; W30-M123 HydrophobicContact CZ2-SD 3.75Å; Y32-M123 HydrophobicContact CD1-CG 4.33Å; Y32-M123 HydrophobicContact CD2-SD 3.91Å; Y32-M123 HydrophobicContact CE2-SD 4.37Å; Y32-M123 HydrophobicContact CG-CG 4.19Å; Y32-M123 HydrophobicContact CG-SD 4.06Å; P119-M123 WeakPolarHBondContact O-CB 3.25Å; P119-M123 PolarHBondContact O-N 2.97Å; V120-M123 WeakPolarHBondContact O-CB 3.5Å; V120-M123 PolarHBondContact O-N 2.89Å; V120-M123 VanDerWaalsContact O-N 3.17Å; K121-M123 VanDerWaalsContact C-N 3.35Å; M123-S125 VanDerWaalsContact C-N 3.32Å; M123-S125 PolarHBondContact O-N 2.83Å; M123-Y126 WeakPolarHBondContact O-CB 3.16Å; M123-Y126 PolarHBondContact O-N 3.5Å; M123-I127 HydrophobicContact CG-CD1 3.91Å; M123-I127 HydrophobicContact CG-CG1 4.38Å; M123-I127 WeakPolarHBondContact O-CG1 3.48Å; M123-I127 PolarHBondContact O-N 2.86Å; M123-I127 HydrophobicContact SD-CD1 4.41Å |
| 124 | E | 92.9 | Very high | 92 | Very high | 94 Ų | 94 | 51.7 Ų | 51.7 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 175.3 | -72.3 | 172.3 | -169.7 | 0 | 0 | 110.8 | V120 K121 I127 A128 | V120-E124 WeakPolarHBondContact O-CG 3.3Å; V120-E124 PolarHBondContact O-N 2.98Å; K121-E124 WeakPolarHBondContact CD-OE2 3.37Å; K121-E124 IonicContact NZ-OE1 2.74Å; K121-E124 PolarHBondContact NZ-OE1 3.49Å; K121-E124 VanDerWaalsContact NZ-OE1 3.12Å; K121-E124 IonicContact NZ-OE2 2.66Å; K121-E124 PolarHBondContact NZ-OE2 3.24Å; K121-E124 PolarHBondContact O-N 3.13Å; E124-I127 PolarHBondContact O-N 3.3Å; E124-A128 WeakPolarHBondContact O-CB 3.48Å; E124-A128 PolarHBondContact O-N 3.23Å |
| 125 | S | 92.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | K121 M122 M123 A128 V129 | K121-S125 PolarHBondContact O-N 3.2Å; K121-S125 VanDerWaalsContact O-N 3.13Å; K121-S125 PolarHBondContact O-OG 3.29Å; M122-S125 PolarHBondContact O-N 2.9Å; M123-S125 VanDerWaalsContact C-N 3.32Å; M123-S125 PolarHBondContact O-N 2.83Å; S125-A128 PolarHBondContact O-N 3.1Å; S125-V129 PolarHBondContact O-N 3.19Å; S125-V129 VanDerWaalsContact O-N 3.12Å |
| 126 | Y | 94.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.4 | -51.5 | 173.8 | 175.1 | -95.7 | 0 | 0 | 0 | 111.7 | M12 G14 V15 Y32 L92 F105 M122 M123 A128 V129 L130 | M12-Y126 HydrophobicContact CB-CE2 4.31Å; M12-Y126 HydrophobicContact CE-CD2 3.37Å; M12-Y126 HydrophobicContact CE-CE2 3.13Å; M12-Y126 HydrophobicContact CE-CG 4.29Å; G14-Y126 WeakPolarHBondContact CA-OH 3.24Å; G14-Y126 PolarHBondContact N-OH 3.12Å; G14-Y126 VanDerWaalsContact N-OH 3.17Å; V15-Y126 HydrophobicContact CB-CD2 3.7Å; V15-Y126 HydrophobicContact CB-CE2 3.95Å; V15-Y126 HydrophobicContact CB-CG 4.17Å; V15-Y126 HydrophobicContact CG1-CD1 3.86Å; V15-Y126 HydrophobicContact CG1-CD2 3.6Å; V15-Y126 HydrophobicContact CG1-CE1 4.24Å; V15-Y126 HydrophobicContact CG1-CE2 3.98Å; V15-Y126 HydrophobicContact CG1-CG 3.53Å; Y32-Y126 AromaticContact CD1-CD1 3.87Å; Y32-Y126 HydrophobicContact CD1-CD1 3.87Å; Y32-Y126 AromaticContact CD1-CE1 3.75Å; Y32-Y126 HydrophobicContact CD1-CE1 3.75Å; Y32-Y126 HydrophobicContact CE1-CD1 4.24Å; Y32-Y126 HydrophobicContact CE1-CE1 4.01Å; L92-Y126 HydrophobicContact CD1-CD2 3.97Å; L92-Y126 HydrophobicContact CD1-CE2 3.63Å; F105-Y126 HydrophobicContact CE1-CD2 4.33Å; M122-Y126 WeakPolarHBondContact O-CB 3Å; M122-Y126 PolarHBondContact O-N 2.7Å; M123-Y126 WeakPolarHBondContact O-CB 3.16Å; M123-Y126 PolarHBondContact O-N 3.5Å; Y126-A128 VanDerWaalsContact C-N 3.32Å; Y126-A128 PolarHBondContact O-N 3.4Å; Y126-V129 PolarHBondContact O-N 3.2Å; Y126-L130 HydrophobicContact CD1-CD2 4.35Å; Y126-L130 HydrophobicContact CE1-CD2 3.65Å; Y126-L130 VanDerWaalsContact O-CB 3.26Å; Y126-L130 WeakPolarHBondContact O-CB 3.47Å; Y126-L130 PolarHBondContact O-N 3.43Å |
| 127 | I | 93.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | -179.6 | -66.9 | 172.1 | 0 | 0 | 0 | 111.1 | Y32 M123 E124 L130 T131 | Y32-I127 HydrophobicContact CE1-CD1 4.16Å; Y32-I127 HydrophobicContact CE1-CG1 4.05Å; M123-I127 HydrophobicContact CG-CD1 3.91Å; M123-I127 HydrophobicContact CG-CG1 4.38Å; M123-I127 WeakPolarHBondContact O-CG1 3.48Å; M123-I127 PolarHBondContact O-N 2.86Å; M123-I127 HydrophobicContact SD-CD1 4.41Å; E124-I127 PolarHBondContact O-N 3.3Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 2.93Å; I127-T131 HydrophobicContact CG2-CG2 4.01Å; I127-T131 WeakPolarHBondContact O-CB 3.39Å; I127-T131 WeakPolarHBondContact O-CG2 3.44Å; I127-T131 PolarHBondContact O-N 2.94Å; I127-T131 PolarHBondContact O-OG1 2.74Å |
| 128 | A | 92.6 | Very high | 89 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E124 S125 Y126 K132 G133 I134 | E124-A128 WeakPolarHBondContact O-CB 3.48Å; E124-A128 PolarHBondContact O-N 3.23Å; S125-A128 PolarHBondContact O-N 3.1Å; Y126-A128 VanDerWaalsContact C-N 3.32Å; Y126-A128 PolarHBondContact O-N 3.4Å; A128-K132 WeakPolarHBondContact O-CA 3.39Å; A128-K132 WeakPolarHBondContact O-CB 3.28Å; A128-K132 PolarHBondContact O-N 3.45Å; A128-G133 PolarHBondContact O-N 2.81Å; A128-I134 CarbonylContact C-O 3.33Å; A128-I134 WeakPolarHBondContact CB-O 3.37Å |
| 129 | V | 92.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | M12 F105 S125 Y126 T131 G133 C135 F143 S145 | M12-V129 HydrophobicContact CE-CB 4.48Å; M12-V129 HydrophobicContact CE-CG1 4.26Å; M12-V129 HydrophobicContact SD-CG1 3.76Å; F105-V129 HydrophobicContact CD2-CG2 4.01Å; F105-V129 HydrophobicContact CE1-CB 4.08Å; F105-V129 HydrophobicContact CE1-CG1 4.19Å; F105-V129 HydrophobicContact CE1-CG2 4.19Å; F105-V129 HydrophobicContact CE2-CB 4.09Å; F105-V129 HydrophobicContact CE2-CG2 3.3Å; F105-V129 HydrophobicContact CZ-CB 3.64Å; F105-V129 HydrophobicContact CZ-CG1 4.19Å; F105-V129 HydrophobicContact CZ-CG2 3.38Å; S125-V129 PolarHBondContact O-N 3.19Å; S125-V129 VanDerWaalsContact O-N 3.12Å; Y126-V129 PolarHBondContact O-N 3.2Å; V129-T131 VanDerWaalsContact C-N 3.28Å; V129-T131 PolarHBondContact O-N 2.81Å; V129-G133 WeakPolarHBondContact O-CA 3.45Å; V129-G133 PolarHBondContact O-N 2.83Å; V129-C135 HydrophobicContact CG2-CB 3.59Å; V129-F143 HydrophobicContact CG1-CD1 4.41Å; V129-F143 HydrophobicContact CG1-CE1 3.77Å; V129-F143 HydrophobicContact CG2-CD1 3.82Å; V129-F143 HydrophobicContact CG2-CE1 3.98Å; V129-S145 WeakPolarHBondContact CG1-OG 3.16Å |
| 130 | L | 91.3 | Very high | 86.1 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | -179.2 | -168.8 | 68.1 | 0 | 0 | 0 | 113.4 | Q10 M12 Y126 I127 | Q10-L130 HydrophobicContact CG-CD1 3.43Å; Q10-L130 VanDerWaalsContact CG-CD1 3.43Å; Q10-L130 HydrophobicContact CG-CG 4.03Å; Q10-L130 VanDerWaalsContact NE2-CD1 3.29Å; M12-L130 HydrophobicContact CB-CD1 3.63Å; M12-L130 HydrophobicContact CE-CD1 4.34Å; Y126-L130 HydrophobicContact CD1-CD2 4.35Å; Y126-L130 HydrophobicContact CE1-CD2 3.65Å; Y126-L130 VanDerWaalsContact O-CB 3.26Å; Y126-L130 WeakPolarHBondContact O-CB 3.47Å; Y126-L130 PolarHBondContact O-N 3.43Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 2.93Å |
| 131 | T | 90.4 | Very high | 85.1 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -101 | -31.8 | -173.3 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | I127 V129 | I127-T131 HydrophobicContact CG2-CG2 4.01Å; I127-T131 WeakPolarHBondContact O-CB 3.39Å; I127-T131 WeakPolarHBondContact O-CG2 3.44Å; I127-T131 PolarHBondContact O-N 2.94Å; I127-T131 PolarHBondContact O-OG1 2.74Å; V129-T131 VanDerWaalsContact C-N 3.28Å; V129-T131 PolarHBondContact O-N 2.81Å |
| 132 | K | 90 | Very high | 84.8 | Confident | 165 Ų | 165 | 63.4 Ų | 63.4 | 72% | 0.717 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -119.6 | -11.6 | -174.3 | -56.9 | 177.4 | -176 | 177.4 | 0 | 113 | A128 I134 | A128-K132 WeakPolarHBondContact O-CA 3.39Å; A128-K132 WeakPolarHBondContact O-CB 3.28Å; A128-K132 PolarHBondContact O-N 3.45Å; K132-I134 PolarHBondContact O-N 2.83Å |
| 133 | G | 89.9 | Confident | 84.7 | Confident | 18 Ų | 18 | 64 Ų | 64 | 19% | 0.186 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 73.6 | 7.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A128 V129 S145 | A128-G133 PolarHBondContact O-N 2.81Å; V129-G133 WeakPolarHBondContact O-CA 3.45Å; V129-G133 PolarHBondContact O-N 2.83Å; G133-S145 WeakPolarHBondContact O-CB 3.41Å; G133-S145 PolarHBondContact O-N 2.81Å; G133-S145 PolarHBondContact O-OG 3.37Å |
| 134 | I | 89.5 | Confident | 84.6 | Confident | 73 Ų | 73 | 63 Ų | 63 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.4 | -169.6 | -54.2 | -179.8 | 0 | 0 | 0 | 110.9 | A128 K132 F143 L144 | A128-I134 CarbonylContact C-O 3.33Å; A128-I134 WeakPolarHBondContact CB-O 3.37Å; K132-I134 PolarHBondContact O-N 2.83Å; I134-F143 VanDerWaalsContact CA-O 3.3Å; I134-F143 WeakPolarHBondContact CA-O 3.29Å; I134-L144 HydrophobicContact CB-CD2 4.21Å; I134-L144 HydrophobicContact CD1-CD2 3.74Å; I134-L144 HydrophobicContact CG1-CD2 3.57Å; I134-L144 HydrophobicContact CG2-CD2 3.82Å |
| 135 | C | 87.9 | Confident | 84.4 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125 | 166.4 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | F105 V129 F143 | F105-C135 HydrophobicContact CE2-CB 4.36Å; V129-C135 HydrophobicContact CG2-CB 3.59Å; C135-F143 HydrophobicContact CB-CB 4.21Å; C135-F143 PolarHBondContact N-O 3.38Å; C135-F143 PolarHBondContact O-N 2.97Å |
| 136 | Q | 81.6 | Confident | 84.3 | Confident | 168 Ų | 168 | 66.9 Ų | 66.9 | 79% | 0.785 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131 | 171.8 | -65.8 | -169.9 | -11 | 0 | 0 | 109.3 | ||
| 137 | S | 72.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.8 | 170.4 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | E139 G141 | S137-E139 PolarHBondContact O-N 3.38Å; S137-G141 PolarHBondContact N-O 3.36Å; S137-G141 PolarHBondContact O-N 2.85Å |
| 138 | E | 65.6 | Low | 84.2 | Confident | 173 Ų | 173 | 71.7 Ų | 71.7 | 81% | 0.808 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.9 | -178.1 | -66.2 | 177.5 | 168.3 | 0 | 0 | 112.8 | K115 | K115-E138 IonicContact NZ-OE2 3.62Å; K115-E138 PolarHBondContact NZ-OE2 2.75Å |
| 139 | E | 62.8 | Low | 84.2 | Confident | 130 Ų | 130 | 73 Ų | 73 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -18.1 | -171.6 | -69.4 | 173.5 | -171.9 | 0 | 0 | 114.3 | S137 | S137-E139 PolarHBondContact O-N 3.38Š|
| 140 | N | 58.6 | Low | 84.1 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 7.8 | -163.3 | -104.3 | 32.7 | 0 | 0 | 0 | 114.6 | R111 | R111-N140 PolarHBondContact NH1-ND2 3Å; R111-N140 PolarHBondContact NH1-OD1 2.99Å; R111-N140 PolarHBondContact NH2-ND2 3.21Å |
| 141 | G | 72.8 | Confident | 84.2 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | -167.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S137 | S137-G141 PolarHBondContact N-O 3.36Å; S137-G141 PolarHBondContact O-N 2.85Å |
| 142 | S | 83.7 | Confident | 84.4 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.7 | -177 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 143 | F | 90.6 | Very high | 84.6 | Confident | 12 Ų | 12 | 75 Ų | 75 | 5% | 0.053 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 127.1 | 163.9 | 174.4 | -88.8 | 0 | 0 | 0 | 109.6 | K101 A104 F105 I108 V129 I134 C135 S145 F148 | K101-F143 HydrophobicContact CG-CZ 3.98Å; A104-F143 HydrophobicContact CB-CE2 4.33Å; F105-F143 HydrophobicContact CB-CD2 4.42Å; F105-F143 HydrophobicContact CB-CE1 4.46Å; F105-F143 HydrophobicContact CB-CE2 3.78Å; F105-F143 HydrophobicContact CB-CZ 3.82Å; F105-F143 HydrophobicContact CD2-CD1 4.28Å; F105-F143 HydrophobicContact CD2-CE1 4.26Å; F105-F143 HydrophobicContact CD2-CG 4.46Å; F105-F143 HydrophobicContact CD2-CZ 4.41Å; F105-F143 HydrophobicContact CG-CE1 4.35Å; F105-F143 HydrophobicContact CG-CE2 4.45Å; F105-F143 HydrophobicContact CG-CZ 4.17Å; I108-F143 HydrophobicContact CD1-CB 3.53Å; I108-F143 HydrophobicContact CD1-CD2 4Å; I108-F143 HydrophobicContact CD1-CG 4.05Å; V129-F143 HydrophobicContact CG1-CD1 4.41Å; V129-F143 HydrophobicContact CG1-CE1 3.77Å; V129-F143 HydrophobicContact CG2-CD1 3.82Å; V129-F143 HydrophobicContact CG2-CE1 3.98Å; I134-F143 VanDerWaalsContact CA-O 3.3Å; I134-F143 WeakPolarHBondContact CA-O 3.29Å; C135-F143 HydrophobicContact CB-CB 4.21Å; C135-F143 PolarHBondContact N-O 3.38Å; C135-F143 PolarHBondContact O-N 2.97Å; F143-S145 WeakPolarHBondContact CE1-OG 3.49Å; F143-F148 AromaticContact CD2-CE2 3.78Å; F143-F148 HydrophobicContact CD2-CE2 3.78Å; F143-F148 HydrophobicContact CD2-CZ 4.17Å; F143-F148 HydrophobicContact CE2-CD2 4.06Å; F143-F148 AromaticContact CE2-CE2 3.27Å; F143-F148 HydrophobicContact CE2-CE2 3.27Å; F143-F148 AromaticContact CE2-CZ 3.73Å; F143-F148 HydrophobicContact CE2-CZ 3.73Å; F143-F148 HydrophobicContact CZ-CD2 4.23Å; F143-F148 AromaticContact CZ-CE2 3.87Å; F143-F148 HydrophobicContact CZ-CE2 3.87Å |
| 144 | L | 91.3 | Very high | 84.8 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 117.5 | 177.5 | -58.7 | 172.7 | 0 | 0 | 0 | 108.5 | I134 K146 D147 F148 | I134-L144 HydrophobicContact CB-CD2 4.21Å; I134-L144 HydrophobicContact CD1-CD2 3.74Å; I134-L144 HydrophobicContact CG1-CD2 3.57Å; I134-L144 HydrophobicContact CG2-CD2 3.82Å; L144-K146 HydrophobicContact CB-CG 4.1Å; L144-K146 PolarHBondContact O-N 2.68Å; L144-D147 HydrophobicContact CB-CB 4.45Å; L144-D147 WeakPolarHBondContact CB-OD2 3.27Å; L144-D147 WeakPolarHBondContact O-CB 3.39Å; L144-D147 PolarHBondContact O-N 3.23Å; L144-F148 WeakPolarHBondContact O-CD2 3.17Å |
| 145 | S | 89.7 | Confident | 85.1 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -59.4 | -32.6 | -178.7 | -63 | 0 | 0 | 0 | 0 | 112.4 | V129 G133 F143 D147 F148 | V129-S145 WeakPolarHBondContact CG1-OG 3.16Å; G133-S145 WeakPolarHBondContact O-CB 3.41Å; G133-S145 PolarHBondContact O-N 2.81Å; G133-S145 PolarHBondContact O-OG 3.37Å; F143-S145 WeakPolarHBondContact CE1-OG 3.49Å; S145-D147 PolarHBondContact O-N 3.17Å; S145-F148 PolarHBondContact O-N 2.93Å |
| 146 | K | 90.1 | Very high | 85.4 | Confident | 173 Ų | 173 | 77.8 Ų | 77.8 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -65.6 | -17.7 | 178.1 | 64.9 | 175.4 | -175.2 | 176.4 | 0 | 114.2 | L144 F148 | L144-K146 HydrophobicContact CB-CG 4.1Å; L144-K146 PolarHBondContact O-N 2.68Å; K146-F148 PolarHBondContact O-N 3.03Å |
| 147 | D | 92 | Very high | 86 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -77.5 | -11.4 | 179.5 | -64.7 | -4.7 | 0 | 0 | 0 | 111.6 | L144 S145 | L144-D147 HydrophobicContact CB-CB 4.45Å; L144-D147 WeakPolarHBondContact CB-OD2 3.27Å; L144-D147 WeakPolarHBondContact O-CB 3.39Å; L144-D147 PolarHBondContact O-N 3.23Å; S145-D147 PolarHBondContact O-N 3.17Å |
| 148 | F | 92.8 | Very high | 87.1 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 26% | 0.263 | 37% | 0.368 | S | S | . | . | trans | -104.3 | 99.2 | -178.7 | -61.5 | -89 | 0 | 0 | 0 | 111.3 | K101 A104 F143 L144 S145 K146 | K101-F148 HydrophobicContact CB-CB 3.73Å; K101-F148 HydrophobicContact CB-CD1 3.73Å; K101-F148 HydrophobicContact CB-CD2 4.22Å; K101-F148 HydrophobicContact CB-CE1 4.39Å; K101-F148 HydrophobicContact CB-CG 3.62Å; K101-F148 HydrophobicContact CD-CB 4.17Å; K101-F148 HydrophobicContact CG-CB 3.97Å; K101-F148 HydrophobicContact CG-CD1 4.39Å; K101-F148 HydrophobicContact CG-CD2 3.97Å; K101-F148 HydrophobicContact CG-CG 3.85Å; A104-F148 HydrophobicContact CB-CE1 4.04Å; A104-F148 HydrophobicContact CB-CZ 3.74Å; F143-F148 AromaticContact CD2-CE2 3.78Å; F143-F148 HydrophobicContact CD2-CE2 3.78Å; F143-F148 HydrophobicContact CD2-CZ 4.17Å; F143-F148 HydrophobicContact CE2-CD2 4.06Å; F143-F148 AromaticContact CE2-CE2 3.27Å; F143-F148 HydrophobicContact CE2-CE2 3.27Å; F143-F148 AromaticContact CE2-CZ 3.73Å; F143-F148 HydrophobicContact CE2-CZ 3.73Å; F143-F148 HydrophobicContact CZ-CD2 4.23Å; F143-F148 AromaticContact CZ-CE2 3.87Å; F143-F148 HydrophobicContact CZ-CE2 3.87Å; L144-F148 WeakPolarHBondContact O-CD2 3.17Å; S145-F148 PolarHBondContact O-N 2.93Å; K146-F148 PolarHBondContact O-N 3.03Å | ||
| 149 | D | 92.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | trans | -81.1 | 125.2 | 172.7 | -173.1 | -21.2 | 0 | 0 | 0 | 110.3 | R151 K152 A153 | D149-R151 PolarHBondContact O-N 3.12Å; D149-R151 WeakPolarHBondContact OD1-CB 3.29Å; D149-R151 PolarHBondContact OD1-N 3.08Å; D149-R151 IonicContact OD1-NE 3.84Å; D149-R151 IonicContact OD2-CZ 3.84Å; D149-R151 IonicContact OD2-NE 3.2Å; D149-R151 IonicContact OD2-NH2 3.85Å; D149-R151 PolarHBondContact OD2-NH2 2.98Å; D149-K152 HydrophobicContact CB-CD 4.25Å; D149-K152 HydrophobicContact CB-CG 4.11Å; D149-K152 WeakPolarHBondContact O-CB 3.37Å; D149-K152 PolarHBondContact O-N 3.17Å; D149-A153 PolarHBondContact O-N 2.97Å | ||
| 150 | V | 92.3 | Very high | 90.3 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.9 | -32.5 | 176 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | K152 A153 Y154 | V150-K152 VanDerWaalsContact C-N 3.3Å; V150-K152 PolarHBondContact O-N 3.01Å; V150-A153 CarbonylContact O-C 3.55Å; V150-A153 WeakPolarHBondContact O-CA 3.49Å; V150-A153 VanDerWaalsContact O-CB 3.28Å; V150-A153 WeakPolarHBondContact O-CB 3.5Å; V150-A153 PolarHBondContact O-N 3.31Å; V150-Y154 HydrophobicContact CG2-CD1 4.37Å; V150-Y154 HydrophobicContact CG2-CE1 3.69Å; V150-Y154 HydrophobicContact CG2-CE2 4.22Å; V150-Y154 PolarHBondContact O-N 2.81Å |
| 151 | R | 91.9 | Very high | 92.2 | Very high | 143 Ų | 143 | 58.6 Ų | 58.6 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.7 | -32.7 | 177.7 | -67.1 | -179.3 | -70.1 | -172.1 | -2.6 | 111.9 | D149 A153 Y154 L155 | D149-R151 PolarHBondContact O-N 3.12Å; D149-R151 WeakPolarHBondContact OD1-CB 3.29Å; D149-R151 PolarHBondContact OD1-N 3.08Å; D149-R151 IonicContact OD1-NE 3.84Å; D149-R151 IonicContact OD2-CZ 3.84Å; D149-R151 IonicContact OD2-NE 3.2Å; D149-R151 IonicContact OD2-NH2 3.85Å; D149-R151 PolarHBondContact OD2-NH2 2.98Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-Y154 PolarHBondContact O-N 3.2Å; R151-L155 WeakPolarHBondContact O-CG 3.42Å; R151-L155 PolarHBondContact O-N 2.77Å; R151-L155 VanDerWaalsContact O-N 3.11Å |
| 152 | K | 94.4 | Very high | 93.4 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 64% | 0.635 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66 | -38.5 | 171.3 | -67.3 | -178.8 | -179.1 | 179.6 | 0 | 110.4 | D149 V150 Y154 L155 A156 | D149-K152 HydrophobicContact CB-CD 4.25Å; D149-K152 HydrophobicContact CB-CG 4.11Å; D149-K152 WeakPolarHBondContact O-CB 3.37Å; D149-K152 PolarHBondContact O-N 3.17Å; V150-K152 VanDerWaalsContact C-N 3.3Å; V150-K152 PolarHBondContact O-N 3.01Å; K152-Y154 VanDerWaalsContact C-N 3.33Å; K152-Y154 PolarHBondContact O-N 2.98Å; K152-L155 CarbonylContact O-C 3.56Å; K152-L155 PolarHBondContact O-N 3.5Å; K152-A156 WeakPolarHBondContact O-CB 3.47Å; K152-A156 PolarHBondContact O-N 3.3Å |
| 153 | A | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F97 E100 D149 V150 R151 L155 R198 | F97-A153 HydrophobicContact CE1-CB 4.4Å; E100-A153 WeakPolarHBondContact OE2-CA 3.45Å; E100-A153 WeakPolarHBondContact OE2-CB 3.31Å; D149-A153 PolarHBondContact O-N 2.97Å; V150-A153 CarbonylContact O-C 3.55Å; V150-A153 WeakPolarHBondContact O-CA 3.49Å; V150-A153 VanDerWaalsContact O-CB 3.28Å; V150-A153 WeakPolarHBondContact O-CB 3.5Å; V150-A153 PolarHBondContact O-N 3.31Å; R151-A153 VanDerWaalsContact C-N 3.3Å; A153-L155 VanDerWaalsContact C-N 3.29Å; A153-L155 PolarHBondContact O-N 3.48Å; A153-R198 PolarHBondContact O-NH1 3.02Å; A153-R198 PolarHBondContact O-NH2 3.49Å |
| 154 | Y | 94.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -31.5 | 174.6 | -62.4 | -16.9 | 0 | 0 | 0 | 113.4 | F97 V150 R151 K152 W205 W210 | F97-Y154 AromaticContact CD1-CD1 3.84Å; F97-Y154 HydrophobicContact CD1-CD1 3.84Å; F97-Y154 AromaticContact CD1-CE1 3.78Å; F97-Y154 HydrophobicContact CD1-CE1 3.78Å; F97-Y154 HydrophobicContact CE1-CD1 4.22Å; V150-Y154 HydrophobicContact CG2-CD1 4.37Å; V150-Y154 HydrophobicContact CG2-CE1 3.69Å; V150-Y154 HydrophobicContact CG2-CE2 4.22Å; V150-Y154 PolarHBondContact O-N 2.81Å; R151-Y154 PolarHBondContact O-N 3.2Å; K152-Y154 VanDerWaalsContact C-N 3.33Å; K152-Y154 PolarHBondContact O-N 2.98Å; Y154-W205 HydrophobicContact CD2-CH2 4.45Å; Y154-W210 HydrophobicContact CD1-CB 4.47Å; Y154-W210 AromaticContact CD1-CD2 3.48Å; Y154-W210 HydrophobicContact CD1-CD2 3.48Å; Y154-W210 VanDerWaalsContact CD1-CD2 3.48Å; Y154-W210 AromaticContact CD1-CE2 3.73Å; Y154-W210 AromaticContact CD1-CE3 3.77Å; Y154-W210 HydrophobicContact CD1-CE3 3.77Å; Y154-W210 AromaticContact CD1-CG 3.76Å; Y154-W210 HydrophobicContact CD1-CG 3.76Å; Y154-W210 HydrophobicContact CD1-CZ2 4.26Å; Y154-W210 HydrophobicContact CD1-CZ3 4.28Å; Y154-W210 HydrophobicContact CD2-CE3 4.11Å; Y154-W210 HydrophobicContact CD2-CZ3 4.06Å; Y154-W210 HydrophobicContact CE1-CB 3.92Å; Y154-W210 AromaticContact CE1-CD2 3.73Å; Y154-W210 HydrophobicContact CE1-CD2 3.73Å; Y154-W210 AromaticContact CE1-CE3 3.9Å; Y154-W210 HydrophobicContact CE1-CE3 3.9Å; Y154-W210 AromaticContact CE1-CG 3.7Å; Y154-W210 HydrophobicContact CE1-CG 3.7Å; Y154-W210 HydrophobicContact CE2-CE3 4.22Å; Y154-W210 AromaticContact CG-CD2 3.99Å; Y154-W210 HydrophobicContact CG-CD2 3.99Å; Y154-W210 AromaticContact CG-CE3 3.89Å; Y154-W210 HydrophobicContact CG-CE3 3.89Å; Y154-W210 HydrophobicContact CG-CH2 4.07Å; Y154-W210 HydrophobicContact CG-CZ2 4.14Å; Y154-W210 AromaticContact CG-CZ3 3.94Å; Y154-W210 HydrophobicContact CG-CZ3 3.94Å |
| 155 | L | 94.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -96.3 | -3.8 | -176.5 | -65.5 | 173.1 | 0 | 0 | 0 | 114.4 | R151 K152 A153 G157 W205 I298 | R151-L155 WeakPolarHBondContact O-CG 3.42Å; R151-L155 PolarHBondContact O-N 2.77Å; R151-L155 VanDerWaalsContact O-N 3.11Å; K152-L155 CarbonylContact O-C 3.56Å; K152-L155 PolarHBondContact O-N 3.5Å; A153-L155 VanDerWaalsContact C-N 3.29Å; A153-L155 PolarHBondContact O-N 3.48Å; L155-G157 PolarHBondContact O-N 3.47Å; L155-G157 VanDerWaalsContact O-N 3.13Å; L155-W205 HydrophobicContact CD1-CH2 4.35Å; L155-W205 HydrophobicContact CD2-CE3 4.47Å; L155-W205 HydrophobicContact CD2-CH2 3.52Å; L155-W205 HydrophobicContact CD2-CZ2 4.27Å; L155-W205 HydrophobicContact CD2-CZ3 3.63Å; L155-W205 HydrophobicContact CG-CH2 3.76Å; L155-W205 HydrophobicContact CG-CZ3 4.23Å; L155-I298 HydrophobicContact CD2-CD1 3.45Å; L155-I298 VanDerWaalsContact CD2-CD1 3.45Å |
| 156 | A | 94.6 | Very high | 95.1 | Very high | 60 Ų | 60 | 59 Ų | 59 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.6 | 3.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K152 | K152-A156 WeakPolarHBondContact O-CB 3.47Å; K152-A156 PolarHBondContact O-N 3.3Å |
| 157 | G | 94 | Very high | 95.5 | Very high | 7 Ų | 7 | 52 Ų | 52 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -105.3 | 153.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L155 T199 | L155-G157 PolarHBondContact O-N 3.47Å; L155-G157 VanDerWaalsContact O-N 3.13Å; G157-T199 VanDerWaalsContact CA-OG1 3.3Å; G157-T199 WeakPolarHBondContact CA-OG1 3.25Å |
| 158 | S | 96.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -96.7 | 108.4 | -176.4 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | K160 D161 D294 | S158-K160 VanDerWaalsContact C-N 3.27Å; S158-D161 WeakPolarHBondContact CB-OD2 3.47Å; S158-D161 PolarHBondContact O-N 3.25Å; S158-D161 WeakPolarHBondContact OG-CB 3.44Å; S158-D161 PolarHBondContact OG-N 3.49Å; S158-D161 VanDerWaalsContact OG-N 3.08Å; S158-D161 PolarHBondContact OG-OD1 3.09Å; S158-D161 PolarHBondContact OG-OD2 3.41Å; S158-D294 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 159 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 169.2 | -74 | -162.3 | 0 | 0 | 0 | 109.7 | D161 I162 V163 T199 A202 L203 D294 V297 I298 | I159-D161 PolarHBondContact O-N 3.06Å; I159-I162 WeakPolarHBondContact O-CB 3.41Å; I159-I162 PolarHBondContact O-N 2.76Å; I159-V163 HydrophobicContact CG2-CG2 4.05Å; I159-V163 WeakPolarHBondContact O-CG2 3.27Å; I159-V163 PolarHBondContact O-N 3.1Å; I159-T199 HydrophobicContact CG1-CG2 3.73Å; I159-A202 HydrophobicContact CD1-CB 3.81Å; I159-A202 HydrophobicContact CG1-CB 4.38Å; I159-L203 HydrophobicContact CD1-CD2 4.03Å; I159-L203 HydrophobicContact CD1-CG 4.32Å; I159-L203 HydrophobicContact CG2-CD2 4.33Å; I159-D294 PolarHBondContact N-OD1 2.96Å; I159-V297 HydrophobicContact CG2-CG1 3.98Å; I159-I298 HydrophobicContact CD1-CD1 3.98Å; I159-I298 HydrophobicContact CD1-CG1 3.32Å; I159-I298 HydrophobicContact CG1-CD1 4.37Å; I159-I298 HydrophobicContact CG1-CG1 4.12Å |
| 160 | K | 98.3 | Very high | 96.3 | Very high | 48 Ų | 48 | 50 Ų | 50 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 179 | -64.3 | -176.3 | 82.9 | 167.4 | 0 | 111.5 | S158 V163 S164 A287 D289 K292 D294 V297 | S158-K160 VanDerWaalsContact C-N 3.27Å; K160-V163 PolarHBondContact O-N 2.89Å; K160-S164 WeakPolarHBondContact O-CB 3.49Å; K160-S164 PolarHBondContact O-N 2.79Å; K160-S164 PolarHBondContact O-OG 3.43Å; K160-A287 WeakPolarHBondContact CE-O 3.23Å; K160-A287 HydrophobicContact CG-CB 4.37Å; K160-D289 PolarHBondContact NZ-O 2.9Å; K160-K292 PolarHBondContact NZ-O 3.5Å; K160-D294 WeakPolarHBondContact CG-OD1 3.28Å; K160-D294 PolarHBondContact N-OD1 2.58Å; K160-V297 HydrophobicContact CG-CG2 4.28Å |
| 161 | D | 97.6 | Very high | 96.5 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.4 | -35.6 | 176.2 | -65.2 | -18.9 | 0 | 0 | 0 | 112.7 | S158 I159 S164 Q165 | S158-D161 WeakPolarHBondContact CB-OD2 3.47Å; S158-D161 PolarHBondContact O-N 3.25Å; S158-D161 WeakPolarHBondContact OG-CB 3.44Å; S158-D161 PolarHBondContact OG-N 3.49Å; S158-D161 VanDerWaalsContact OG-N 3.08Å; S158-D161 PolarHBondContact OG-OD1 3.09Å; S158-D161 PolarHBondContact OG-OD2 3.41Å; I159-D161 PolarHBondContact O-N 3.06Å; D161-S164 WeakPolarHBondContact CA-OG 3.44Å; D161-S164 PolarHBondContact O-N 2.94Å; D161-S164 PolarHBondContact O-OG 3.44Å; D161-Q165 WeakPolarHBondContact O-CB 3.35Å; D161-Q165 PolarHBondContact O-N 2.79Å; D161-Q165 VanDerWaalsContact O-N 3.09Å |
| 162 | I | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 172 | -59 | -173.8 | 0 | 0 | 0 | 110 | I159 Q165 F166 T170 L173 F196 T199 L200 | I159-I162 WeakPolarHBondContact O-CB 3.41Å; I159-I162 PolarHBondContact O-N 2.76Å; I162-Q165 PolarHBondContact O-N 2.97Å; I162-F166 HydrophobicContact CG2-CD2 4.14Å; I162-F166 WeakPolarHBondContact O-CD2 3.23Å; I162-F166 PolarHBondContact O-N 3.09Å; I162-T170 HydrophobicContact CG2-CG2 4.02Å; I162-L173 HydrophobicContact CG2-CD1 3.97Å; I162-F196 HydrophobicContact CB-CE2 4.26Å; I162-F196 HydrophobicContact CD1-CD2 4.2Å; I162-F196 HydrophobicContact CD1-CE2 3.97Å; I162-F196 HydrophobicContact CG1-CD2 3.95Å; I162-F196 HydrophobicContact CG1-CE2 3.71Å; I162-F196 HydrophobicContact CG2-CE2 3.94Å; I162-F196 HydrophobicContact CG2-CZ 4.32Å; I162-T199 HydrophobicContact CD1-CG2 3.56Å; I162-T199 HydrophobicContact CG1-CG2 4.29Å; I162-L200 HydrophobicContact CD1-CD2 3.84Å |
| 163 | V | 98 | Very high | 97 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.6 | -37.3 | -179 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | I159 K160 Q165 G167 T170 I283 V284 A287 | I159-V163 HydrophobicContact CG2-CG2 4.05Å; I159-V163 WeakPolarHBondContact O-CG2 3.27Å; I159-V163 PolarHBondContact O-N 3.1Å; K160-V163 PolarHBondContact O-N 2.89Å; V163-Q165 VanDerWaalsContact C-N 3.26Å; V163-Q165 PolarHBondContact O-N 3.44Å; V163-G167 WeakPolarHBondContact O-CA 3.39Å; V163-G167 PolarHBondContact O-N 2.81Å; V163-T170 HydrophobicContact CG2-CG2 4.13Å; V163-I283 HydrophobicContact CG1-CG2 4.26Å; V163-I283 HydrophobicContact CG2-CG2 3.5Å; V163-I283 VanDerWaalsContact CG2-CG2 3.5Å; V163-V284 HydrophobicContact CG1-CB 4.44Å; V163-V284 HydrophobicContact CG1-CG2 4.03Å; V163-A287 HydrophobicContact CB-CB 3.67Å; V163-A287 HydrophobicContact CG1-CB 3.67Å; V163-A287 HydrophobicContact CG2-CB 3.8Å |
| 164 | S | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 35.1 Ų | 35.1 | 68% | 0.678 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65.1 | -33.6 | 176.4 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | K160 D161 | K160-S164 WeakPolarHBondContact O-CB 3.49Å; K160-S164 PolarHBondContact O-N 2.79Å; K160-S164 PolarHBondContact O-OG 3.43Å; D161-S164 WeakPolarHBondContact CA-OG 3.44Å; D161-S164 PolarHBondContact O-N 2.94Å; D161-S164 PolarHBondContact O-OG 3.44Å |
| 165 | Q | 97.7 | Very high | 97.3 | Very high | 68 Ų | 68 | 33.4 Ų | 33.4 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -76.6 | -45.2 | 178.2 | -173.1 | 171.3 | 9.3 | 0 | 0 | 113.2 | D161 I162 V163 L255 S258 | D161-Q165 WeakPolarHBondContact O-CB 3.35Å; D161-Q165 PolarHBondContact O-N 2.79Å; D161-Q165 VanDerWaalsContact O-N 3.09Å; I162-Q165 PolarHBondContact O-N 2.97Å; V163-Q165 VanDerWaalsContact C-N 3.26Å; V163-Q165 PolarHBondContact O-N 3.44Å; Q165-L255 PolarHBondContact NE2-O 3.47Å; Q165-S258 WeakPolarHBondContact CG-OG 3.41Å; Q165-S258 PolarHBondContact NE2-OG 2.9Å |
| 166 | F | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -108.2 | -10.3 | -170.4 | -65.2 | -77.7 | 0 | 0 | 0 | 114.3 | I162 M168 E169 F196 V253 L255 S258 I260 | I162-F166 HydrophobicContact CG2-CD2 4.14Å; I162-F166 WeakPolarHBondContact O-CD2 3.23Å; I162-F166 PolarHBondContact O-N 3.09Å; F166-M168 PolarHBondContact O-N 3.17Å; F166-E169 HydrophobicContact CB-CB 4.39Å; F166-E169 WeakPolarHBondContact O-CB 3.48Å; F166-E169 PolarHBondContact O-N 3.11Å; F166-F196 HydrophobicContact CD2-CE2 4.15Å; F166-F196 HydrophobicContact CD2-CZ 4.35Å; F166-F196 AromaticContact CE2-CE2 3.47Å; F166-F196 HydrophobicContact CE2-CE2 3.47Å; F166-F196 VanDerWaalsContact CE2-CE2 3.47Å; F166-F196 AromaticContact CE2-CZ 3.66Å; F166-F196 HydrophobicContact CE2-CZ 3.66Å; F166-F196 HydrophobicContact CZ-CE2 4.39Å; F166-F196 HydrophobicContact CZ-CZ 4.28Å; F166-V253 HydrophobicContact CE1-CG1 4.09Å; F166-V253 HydrophobicContact CE2-CG1 4.41Å; F166-V253 HydrophobicContact CZ-CG1 3.62Å; F166-L255 HydrophobicContact CE2-CD1 4.1Å; F166-L255 HydrophobicContact CZ-CD1 4.12Å; F166-S258 VanDerWaalsContact CE1-C 3.42Å; F166-S258 WeakPolarHBondContact CE1-O 3.31Å; F166-I260 HydrophobicContact CB-CD1 4.18Å; F166-I260 HydrophobicContact CD1-CD1 3.44Å; F166-I260 VanDerWaalsContact CD1-CD1 3.44Å; F166-I260 HydrophobicContact CD1-CG1 3.62Å; F166-I260 HydrophobicContact CE1-CD1 3.93Å; F166-I260 HydrophobicContact CE1-CG1 3.63Å; F166-I260 HydrophobicContact CG-CD1 3.85Å; F166-I260 HydrophobicContact CG-CG1 4.46Å |
| 167 | G | 97.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 28 Ų | 28 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | 51 | -125.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V163 E169 T170 | V163-G167 WeakPolarHBondContact O-CA 3.39Å; V163-G167 PolarHBondContact O-N 2.81Å; G167-E169 PolarHBondContact O-N 2.66Å; G167-T170 VanDerWaalsContact O-CB 3.29Å; G167-T170 WeakPolarHBondContact O-CB 3.3Å; G167-T170 PolarHBondContact O-N 3.01Å; G167-T170 PolarHBondContact O-OG1 2.88Å |
| 168 | M | 97.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 27.7 Ų | 27.7 | 40% | 0.399 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -59.9 | -30.7 | 177.4 | -110.9 | -52 | -50.6 | 0 | 0 | 113.2 | F166 T170 V171 G280 | F166-M168 PolarHBondContact O-N 3.17Å; M168-T170 PolarHBondContact O-N 2.87Å; M168-T170 VanDerWaalsContact O-N 3.14Å; M168-V171 HydrophobicContact CE-CB 4.07Å; M168-V171 HydrophobicContact CE-CG1 3.59Å; M168-V171 WeakPolarHBondContact O-CB 3.38Å; M168-V171 VanDerWaalsContact O-CG1 3.27Å; M168-V171 WeakPolarHBondContact O-CG1 3.08Å; M168-V171 PolarHBondContact O-N 2.66Å; M168-V171 VanDerWaalsContact O-N 3.08Å; M168-G280 WeakPolarHBondContact SD-CA 3.23Å |
| 169 | E | 97.6 | Very high | 97.6 | Very high | 90 Ų | 90 | 27.1 Ų | 27.1 | 42% | 0.421 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -67.2 | -14.5 | -178.2 | -58.4 | -166.8 | 141.6 | 0 | 0 | 112.7 | F166 G167 V171 I172 I260 | F166-E169 HydrophobicContact CB-CB 4.39Å; F166-E169 WeakPolarHBondContact O-CB 3.48Å; F166-E169 PolarHBondContact O-N 3.11Å; G167-E169 PolarHBondContact O-N 2.66Å; E169-V171 PolarHBondContact O-N 3.2Å; E169-I172 HydrophobicContact CB-CD1 4.15Å; E169-I172 HydrophobicContact CG-CD1 4.47Å; E169-I172 WeakPolarHBondContact O-CB 3.16Å; E169-I172 WeakPolarHBondContact O-CG1 3.29Å; E169-I172 PolarHBondContact O-N 2.77Å; E169-I260 HydrophobicContact CB-CD1 3.98Å |
| 170 | T | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53 | -29.2 | 168.8 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | I162 V163 G167 M168 I172 L173 H174 L203 I283 | I162-T170 HydrophobicContact CG2-CG2 4.02Å; V163-T170 HydrophobicContact CG2-CG2 4.13Å; G167-T170 VanDerWaalsContact O-CB 3.29Å; G167-T170 WeakPolarHBondContact O-CB 3.3Å; G167-T170 PolarHBondContact O-N 3.01Å; G167-T170 PolarHBondContact O-OG1 2.88Å; M168-T170 PolarHBondContact O-N 2.87Å; M168-T170 VanDerWaalsContact O-N 3.14Å; T170-I172 PolarHBondContact O-N 3.47Å; T170-L173 WeakPolarHBondContact O-CB 3.33Å; T170-L173 PolarHBondContact O-N 2.8Å; T170-L173 VanDerWaalsContact O-N 3.12Å; T170-H174 PolarHBondContact O-N 3.16Å; T170-L203 HydrophobicContact CG2-CD1 4.41Å; T170-L203 HydrophobicContact CG2-CD2 4.22Å; T170-I283 HydrophobicContact CG2-CG2 4.02Å |
| 171 | V | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -29.1 | 175.3 | 81.5 | 0 | 0 | 0 | 0 | 112.6 | M168 E169 L173 H174 T175 M272 H276 M279 | M168-V171 HydrophobicContact CE-CB 4.07Å; M168-V171 HydrophobicContact CE-CG1 3.59Å; M168-V171 WeakPolarHBondContact O-CB 3.38Å; M168-V171 VanDerWaalsContact O-CG1 3.27Å; M168-V171 WeakPolarHBondContact O-CG1 3.08Å; M168-V171 PolarHBondContact O-N 2.66Å; M168-V171 VanDerWaalsContact O-N 3.08Å; E169-V171 PolarHBondContact O-N 3.2Å; V171-L173 VanDerWaalsContact C-N 3.35Å; V171-H174 PolarHBondContact O-N 2.75Å; V171-T175 VanDerWaalsContact O-CB 3.28Å; V171-T175 WeakPolarHBondContact O-CB 3.48Å; V171-T175 PolarHBondContact O-N 3.46Å; V171-T175 PolarHBondContact O-OG1 3.1Å; V171-M272 HydrophobicContact CG1-SD 4.05Å; V171-H276 HydrophobicContact CG2-CB 4.26Å; V171-H276 VanDerWaalsContact CG2-O 3.31Å; V171-H276 WeakPolarHBondContact CG2-O 3.36Å; V171-M279 HydrophobicContact CG2-CB 4.29Å; V171-M279 HydrophobicContact CG2-CG 4.43Å |
| 172 | I | 98.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 176.9 | -58.3 | 173.4 | 0 | 0 | 0 | 109 | E169 T170 T175 A176 V251 I260 I262 M270 | E169-I172 HydrophobicContact CB-CD1 4.15Å; E169-I172 HydrophobicContact CG-CD1 4.47Å; E169-I172 WeakPolarHBondContact O-CB 3.16Å; E169-I172 WeakPolarHBondContact O-CG1 3.29Å; E169-I172 PolarHBondContact O-N 2.77Å; T170-I172 PolarHBondContact O-N 3.47Å; I172-T175 PolarHBondContact O-N 3.16Å; I172-A176 WeakPolarHBondContact O-CB 3.43Å; I172-A176 PolarHBondContact O-N 3.36Å; I172-V251 HydrophobicContact CG2-CG1 4.39Å; I172-V251 HydrophobicContact CG2-CG2 4.46Å; I172-I260 HydrophobicContact CB-CG2 4.29Å; I172-I260 HydrophobicContact CD1-CG2 4.31Å; I172-I260 HydrophobicContact CG2-CG2 3.82Å; I172-I262 HydrophobicContact CD1-CD1 4.44Å; I172-I262 HydrophobicContact CG2-CD1 3.85Å; I172-I262 HydrophobicContact CG2-CG1 3.93Å; I172-M270 HydrophobicContact CG2-CE 3.88Å; I172-M270 WeakPolarHBondContact O-CE 3.13Å |
| 173 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 176.7 | -56.1 | 176.5 | 0 | 0 | 0 | 111.2 | I162 T170 V171 T175 A176 L177 F196 L200 L203 V251 V253 I260 | I162-L173 HydrophobicContact CG2-CD1 3.97Å; T170-L173 WeakPolarHBondContact O-CB 3.33Å; T170-L173 PolarHBondContact O-N 2.8Å; T170-L173 VanDerWaalsContact O-N 3.12Å; V171-L173 VanDerWaalsContact C-N 3.35Å; L173-T175 VanDerWaalsContact C-N 3.31Å; L173-T175 PolarHBondContact O-N 2.89Å; L173-A176 PolarHBondContact O-N 3.11Å; L173-L177 WeakPolarHBondContact O-CB 3.46Å; L173-L177 WeakPolarHBondContact O-CD1 3.36Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.23Å; L173-L177 PolarHBondContact O-N 2.69Å; L173-F196 HydrophobicContact CD1-CZ 3.9Å; L173-L200 HydrophobicContact CB-CD2 4.36Å; L173-L200 HydrophobicContact CD1-CD2 3.9Å; L173-L203 HydrophobicContact CB-CD1 4.05Å; L173-V251 HydrophobicContact CD2-CG1 4.39Å; L173-V253 HydrophobicContact CD2-CG2 3.59Å; L173-I260 HydrophobicContact CD1-CD1 4.06Å; L173-I260 HydrophobicContact CD2-CD1 3.98Å; L173-I260 HydrophobicContact CD2-CG1 4.45Å; L173-I260 HydrophobicContact CG-CD1 3.83Å |
| 174 | H | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56 | -46.2 | 174.7 | 169.3 | -89.2 | 0 | 0 | 0 | 111.7 | T170 V171 L177 M178 L203 M279 I283 T305 | T170-H174 PolarHBondContact O-N 3.16Å; V171-H174 PolarHBondContact O-N 2.75Å; H174-L177 PolarHBondContact O-N 3.21Å; H174-M178 WeakPolarHBondContact O-CB 3.28Å; H174-M178 VanDerWaalsContact O-CG 3.3Å; H174-M178 WeakPolarHBondContact O-CG 3.32Å; H174-M178 PolarHBondContact O-N 3Å; H174-L203 PolarHBondContact CD2-O 2.82Å; H174-L203 VanDerWaalsContact CD2-O 3.3Å; H174-M279 VanDerWaalsContact NE2-CE 3.29Å; H174-M279 WeakPolarHBondContact NE2-CE 3.36Å; H174-I283 HydrophobicContact CB-CD1 4.19Å; H174-T305 PolarHBondContact NE2-OG1 3.36Å |
| 175 | T | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66 | -43.8 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | V171 I172 L173 L177 M178 L179 M270 M272 H276 F344 | V171-T175 VanDerWaalsContact O-CB 3.28Å; V171-T175 WeakPolarHBondContact O-CB 3.48Å; V171-T175 PolarHBondContact O-N 3.46Å; V171-T175 PolarHBondContact O-OG1 3.1Å; I172-T175 PolarHBondContact O-N 3.16Å; L173-T175 VanDerWaalsContact C-N 3.31Å; L173-T175 PolarHBondContact O-N 2.89Å; T175-L177 VanDerWaalsContact C-N 3.28Å; T175-L177 PolarHBondContact O-N 3.38Å; T175-M178 PolarHBondContact O-N 3.34Å; T175-L179 HydrophobicContact CG2-CD1 4.1Å; T175-L179 HydrophobicContact CG2-CG 4.4Å; T175-L179 WeakPolarHBondContact O-CB 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.45Å; T175-L179 PolarHBondContact O-N 3.3Å; T175-M270 HydrophobicContact CG2-CE 4.22Å; T175-M270 HydrophobicContact CG2-SD 4.2Å; T175-M272 HydrophobicContact CG2-CE 3.84Å; T175-H276 PolarHBondContact OG1-CD2 3.46Å; T175-F344 HydrophobicContact CG2-CD2 4.19Å; T175-F344 HydrophobicContact CG2-CE2 4.03Å |
| 176 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | I172 L173 L179 K180 K181 I183 V251 M270 | I172-A176 WeakPolarHBondContact O-CB 3.43Å; I172-A176 PolarHBondContact O-N 3.36Å; L173-A176 PolarHBondContact O-N 3.11Å; A176-L179 CarbonylContact O-C 3.59Å; A176-L179 PolarHBondContact O-N 3.47Å; A176-K180 PolarHBondContact O-N 2.96Å; A176-K180 VanDerWaalsContact O-N 3.13Å; A176-K181 HydrophobicContact CB-CB 4.05Å; A176-K181 WeakPolarHBondContact O-CB 3.35Å; A176-K181 PolarHBondContact O-N 2.76Å; A176-I183 HydrophobicContact CB-CD1 3.74Å; A176-I183 HydrophobicContact CB-CG1 3.94Å; A176-V251 HydrophobicContact CB-CB 4.49Å; A176-V251 HydrophobicContact CB-CG2 3.8Å; A176-M270 HydrophobicContact CB-CE 3.77Å; A176-M270 HydrophobicContact CB-SD 4.34Å |
| 177 | L | 97.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 175.7 | -69.7 | 165.8 | 0 | 0 | 0 | 111.8 | L173 H174 T175 L179 K180 I183 L200 L203 V204 R207 I212 I234 | L173-L177 WeakPolarHBondContact O-CB 3.46Å; L173-L177 WeakPolarHBondContact O-CD1 3.36Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.23Å; L173-L177 PolarHBondContact O-N 2.69Å; H174-L177 PolarHBondContact O-N 3.21Å; T175-L177 VanDerWaalsContact C-N 3.28Å; T175-L177 PolarHBondContact O-N 3.38Å; L177-L179 PolarHBondContact O-N 3.25Å; L177-K180 PolarHBondContact O-N 3.2Å; L177-I183 HydrophobicContact CD2-CD1 3.78Å; L177-I183 HydrophobicContact CG-CD1 3.76Å; L177-L200 HydrophobicContact CD1-CB 4.27Å; L177-L200 WeakPolarHBondContact CD1-O 3.4Å; L177-L203 HydrophobicContact CD1-CB 3.78Å; L177-L203 HydrophobicContact CD1-CD1 3.91Å; L177-L203 HydrophobicContact CD1-CG 4.41Å; L177-V204 HydrophobicContact CB-CB 4.43Å; L177-V204 HydrophobicContact CB-CG1 3.61Å; L177-V204 HydrophobicContact CB-CG2 3.92Å; L177-V204 HydrophobicContact CD1-CG2 4.45Å; L177-R207 PolarHBondContact O-NH1 3.05Å; L177-I212 HydrophobicContact CD2-CD1 4.41Å; L177-I234 HydrophobicContact CD2-CD1 3.49Å; L177-I234 VanDerWaalsContact CD2-CD1 3.49Å; L177-I234 HydrophobicContact CD2-CG1 4.04Å |
| 178 | M | 95.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.4 | -37.6 | 176 | -76.6 | -67 | -75.9 | 0 | 0 | 111.8 | H174 T175 K180 V204 H206 R207 T305 F309 F344 L348 | H174-M178 WeakPolarHBondContact O-CB 3.28Å; H174-M178 VanDerWaalsContact O-CG 3.3Å; H174-M178 WeakPolarHBondContact O-CG 3.32Å; H174-M178 PolarHBondContact O-N 3Å; T175-M178 PolarHBondContact O-N 3.34Å; M178-K180 VanDerWaalsContact C-N 3.34Å; M178-K180 PolarHBondContact O-N 3.41Å; M178-V204 HydrophobicContact CG-CG1 3.83Å; M178-V204 HydrophobicContact SD-CG1 3.76Å; M178-H206 VanDerWaalsContact SD-CE1 3.56Å; M178-R207 PolarHBondContact O-NH2 3.04Å; M178-T305 HydrophobicContact CE-CG2 3.66Å; M178-T305 HydrophobicContact SD-CG2 3.72Å; M178-F309 HydrophobicContact CE-CE1 4.47Å; M178-F309 HydrophobicContact CE-CE2 4.08Å; M178-F309 HydrophobicContact CE-CZ 3.81Å; M178-F344 HydrophobicContact CB-CE2 4.48Å; M178-L348 HydrophobicContact CB-CD1 4.37Å; M178-L348 HydrophobicContact CE-CD1 3.62Å; M178-L348 HydrophobicContact CE-CD2 3.79Å; M178-L348 HydrophobicContact CE-CG 4.39Å |
| 179 | L | 95.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 8 | -179.8 | -60.4 | -174.1 | 0 | 0 | 0 | 114.3 | T175 A176 L177 K181 A269 M270 F344 H347 L348 | T175-L179 HydrophobicContact CG2-CD1 4.1Å; T175-L179 HydrophobicContact CG2-CG 4.4Å; T175-L179 WeakPolarHBondContact O-CB 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.45Å; T175-L179 PolarHBondContact O-N 3.3Å; A176-L179 CarbonylContact O-C 3.59Å; A176-L179 PolarHBondContact O-N 3.47Å; L177-L179 PolarHBondContact O-N 3.25Å; L179-K181 HydrophobicContact CB-CD 4.46Å; L179-K181 HydrophobicContact CB-CG 3.87Å; L179-K181 PolarHBondContact O-N 3.49Å; L179-A269 VanDerWaalsContact CD1-O 3.29Å; L179-A269 WeakPolarHBondContact CD1-O 3.26Å; L179-M270 HydrophobicContact CD1-SD 4.1Å; L179-F344 HydrophobicContact CD1-CD2 4.26Å; L179-F344 HydrophobicContact CD2-CD2 3.91Å; L179-F344 HydrophobicContact CD2-CE2 3.88Å; L179-F344 HydrophobicContact CG-CD2 4.3Å; L179-F344 HydrophobicContact CG-CE2 4.21Å; L179-H347 HydrophobicContact CD1-CB 4.31Å; L179-H347 HydrophobicContact CD2-CB 3.67Å; L179-L348 HydrophobicContact CD2-CB 4.1Å |
| 180 | K | 96.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 23.2 Ų | 23.2 | 33% | 0.33 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.2 | -176.3 | -67 | -179.5 | 177.4 | 171.4 | 0 | 112.6 | A176 L177 M178 G232 A351 | A176-K180 PolarHBondContact O-N 2.96Å; A176-K180 VanDerWaalsContact O-N 3.13Å; L177-K180 PolarHBondContact O-N 3.2Å; M178-K180 VanDerWaalsContact C-N 3.34Å; M178-K180 PolarHBondContact O-N 3.41Å; K180-G232 WeakPolarHBondContact O-CA 3.03Å; K180-A351 HydrophobicContact CB-CB 4.43Å; K180-A351 HydrophobicContact CD-CB 4.19Å; K180-A351 WeakPolarHBondContact CD-O 3.41Å; K180-A351 VanDerWaalsContact CE-O 3.27Å; K180-A351 WeakPolarHBondContact CE-O 3.44Å; K180-A351 HydrophobicContact CG-CB 4.15Å; K180-A351 PolarHBondContact NZ-O 2.94Å |
| 181 | K | 97.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 26.8 Ų | 26.8 | 18% | 0.178 | 13% | 0.125 | C | C | . | . | trans | -75.5 | 160.7 | 176.8 | -64.1 | -60.9 | -178.5 | -176.9 | 0 | 111.7 | A176 L179 I183 D250 M270 | A176-K181 HydrophobicContact CB-CB 4.05Å; A176-K181 WeakPolarHBondContact O-CB 3.35Å; A176-K181 PolarHBondContact O-N 2.76Å; L179-K181 HydrophobicContact CB-CD 4.46Å; L179-K181 HydrophobicContact CB-CG 3.87Å; L179-K181 PolarHBondContact O-N 3.49Å; K181-I183 PolarHBondContact O-N 2.86Å; K181-D250 HydrophobicContact CB-CB 3.9Å; K181-D250 HydrophobicContact CD-CB 4.13Å; K181-D250 HydrophobicContact CG-CB 4.35Å; K181-M270 HydrophobicContact CG-SD 4.04Å | ||
| 182 | R | 98.2 | Very high | 97.1 | Very high | 57 Ų | 57 | 27.7 Ų | 27.7 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 111.3 | 177.6 | -59.8 | 169.1 | -64.3 | 156.9 | 10.2 | 108.8 | Y233 D247 D250 V251 | R182-Y233 HydrophobicContact CB-CD1 4.5Å; R182-Y233 HydrophobicContact CB-CD2 4.31Å; R182-Y233 HydrophobicContact CB-CE1 4.06Å; R182-Y233 HydrophobicContact CB-CE2 3.82Å; R182-Y233 HydrophobicContact CG-CD1 3.98Å; R182-Y233 HydrophobicContact CG-CE1 3.55Å; R182-Y233 HydrophobicContact CG-CE2 4.26Å; R182-D247 PolarHBondContact NH1-O 2.77Å; R182-D250 IonicContact CZ-OD1 3.79Å; R182-D250 PolarHBondContact N-OD2 3.39Å; R182-D250 IonicContact NE-OD1 3.59Å; R182-D250 IonicContact NE-OD2 2.9Å; R182-D250 PolarHBondContact NE-OD2 3.44Å; R182-D250 IonicContact NH2-OD1 3.42Å; R182-D250 PolarHBondContact NH2-OD1 3.41Å; R182-D250 IonicContact NH2-OD2 3.53Å; R182-D250 PolarHBondContact O-N 2.7Å; R182-V251 PolarHBondContact O-N 3.17Å; R182-V251 VanDerWaalsContact O-N 3.07Å |
| 183 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.2 | 178.8 | -54.4 | 177.7 | 0 | 0 | 0 | 107.8 | A176 L177 K181 V185 L200 Y233 I234 A235 V251 V253 | A176-I183 HydrophobicContact CB-CD1 3.74Å; A176-I183 HydrophobicContact CB-CG1 3.94Å; L177-I183 HydrophobicContact CD2-CD1 3.78Å; L177-I183 HydrophobicContact CG-CD1 3.76Å; K181-I183 PolarHBondContact O-N 2.86Å; I183-V185 HydrophobicContact CG2-CG2 4.22Å; I183-L200 HydrophobicContact CG2-CD1 4.36Å; I183-Y233 PolarHBondContact N-O 3.04Å; I183-I234 HydrophobicContact CB-CG1 4.49Å; I183-I234 CarbonylContact O-C 3.48Å; I183-I234 WeakPolarHBondContact O-CA 3.38Å; I183-A235 PolarHBondContact O-N 3.3Å; I183-V251 CarbonylContact C-O 3.54Å; I183-V251 WeakPolarHBondContact CA-O 3.18Å; I183-V251 HydrophobicContact CG1-CB 4.46Å; I183-V253 HydrophobicContact CG2-CG2 4.13Å |
| 184 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.4 | 171.6 | 165.8 | 0 | 0 | 0 | 0 | 108.6 | Y233 A235 F237 V242 Y249 V251 F252 V253 | V184-Y233 HydrophobicContact CG2-CE2 4.31Å; V184-A235 CarbonylContact C-O 3.51Å; V184-A235 WeakPolarHBondContact CA-O 3.25Å; V184-A235 HydrophobicContact CG2-CB 4.37Å; V184-F237 HydrophobicContact CG1-CD2 3.71Å; V184-F237 HydrophobicContact CG1-CE2 3.94Å; V184-F237 HydrophobicContact CG2-CE2 4.02Å; V184-V242 HydrophobicContact CG1-CB 4.46Å; V184-V242 HydrophobicContact CG1-CG1 3.88Å; V184-V242 HydrophobicContact CG1-CG2 3.71Å; V184-Y249 HydrophobicContact CB-CD1 4.17Å; V184-Y249 HydrophobicContact CB-CG 4.25Å; V184-Y249 HydrophobicContact CG2-CD1 4.24Å; V184-Y249 HydrophobicContact CG2-CG 4.37Å; V184-V251 PolarHBondContact N-O 2.96Å; V184-F252 HydrophobicContact CB-CD2 4.21Å; V184-F252 HydrophobicContact CG1-CD2 3.73Å; V184-F252 HydrophobicContact CG1-CE2 4.02Å; V184-F252 CarbonylContact O-C 3.6Å; V184-F252 WeakPolarHBondContact O-CA 3.31Å; V184-V253 PolarHBondContact O-N 3.48Å |
| 185 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.9 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | I183 F196 T197 L200 A235 G236 F237 V253 L255 | I183-V185 HydrophobicContact CG2-CG2 4.22Å; V185-F196 HydrophobicContact CB-CD1 4.39Å; V185-F196 HydrophobicContact CG1-CD1 3.63Å; V185-F196 HydrophobicContact CG1-CE1 4.07Å; V185-F196 HydrophobicContact CG1-CG 4.48Å; V185-F196 HydrophobicContact CG2-CD1 3.89Å; V185-F196 HydrophobicContact CG2-CE1 3.89Å; V185-T197 HydrophobicContact CB-CG2 3.82Å; V185-T197 HydrophobicContact CG1-CG2 4.29Å; V185-T197 HydrophobicContact CG2-CG2 3.77Å; V185-L200 HydrophobicContact CG2-CD1 4.26Å; V185-A235 PolarHBondContact N-O 3.32Å; V185-G236 CarbonylContact O-C 3.53Å; V185-G236 WeakPolarHBondContact O-CA 3.39Å; V185-F237 PolarHBondContact O-N 3.2Å; V185-V253 WeakPolarHBondContact CA-O 3.49Å; V185-V253 HydrophobicContact CG1-CB 4.41Å; V185-V253 HydrophobicContact CG2-CB 4.17Å; V185-V253 HydrophobicContact CG2-CG2 4.33Å; V185-L255 HydrophobicContact CG1-CB 4.39Å |
| 186 | Y | 98.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.2 | 174.6 | 164.6 | -98.2 | 0 | 0 | 0 | 111.4 | F237 L240 F252 V253 L255 | Y186-F237 WeakPolarHBondContact CA-O 3.44Å; Y186-L240 HydrophobicContact CD1-CD1 3.65Å; Y186-L240 HydrophobicContact CD2-CB 4.29Å; Y186-L240 HydrophobicContact CD2-CD1 4.46Å; Y186-L240 HydrophobicContact CE1-CB 4.18Å; Y186-L240 HydrophobicContact CE1-CD1 3.56Å; Y186-L240 HydrophobicContact CE1-CG 4.32Å; Y186-L240 VanDerWaalsContact CE2-CA 3.43Å; Y186-L240 HydrophobicContact CE2-CB 3.69Å; Y186-L240 HydrophobicContact CE2-CD1 4.39Å; Y186-L240 HydrophobicContact CG-CD1 4.11Å; Y186-F252 HydrophobicContact CG-CZ 4.45Å; Y186-V253 PolarHBondContact N-O 3.34Å; Y186-L255 VanDerWaalsContact O-CB 3.28Å; Y186-L255 WeakPolarHBondContact O-CB 3.42Å; Y186-L255 PolarHBondContact O-N 3.18Å |
| 187 | H | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | trans | -157.4 | 142.8 | 163 | -170.1 | -92.4 | 0 | 0 | 0 | 109.7 | K189 A192 V193 F237 V238 L255 | H187-K189 WeakPolarHBondContact ND1-CB 3.37Å; H187-K189 PolarHBondContact ND1-N 3.11Å; H187-K189 PolarHBondContact ND1-O 3.14Å; H187-K189 VanDerWaalsContact ND1-O 3.17Å; H187-K189 PolarHBondContact O-N 3.14Å; H187-A192 HydrophobicContact CB-CB 4.5Å; H187-A192 WeakPolarHBondContact ND1-CB 3.35Å; H187-V193 HydrophobicContact CB-CG2 3.56Å; H187-V193 WeakPolarHBondContact O-CG2 3.5Å; H187-F237 PolarHBondContact N-O 2.83Å; H187-F237 VanDerWaalsContact N-O 3.17Å; H187-V238 WeakPolarHBondContact O-CA 3.45Å; H187-L255 HydrophobicContact CB-CB 4.02Å; H187-L255 HydrophobicContact CB-CD2 4.02Å | ||
| 188 | P | 94.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 33.4 Ų | 33.4 | 48% | 0.481 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -65.5 | -24.1 | -179.1 | 25.2 | -35.5 | 0 | 0 | 0 | 114.1 | ||
| 189 | K | 94.5 | Very high | 97 | Very high | 134 Ų | 134 | 33.5 Ų | 33.5 | 58% | 0.583 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -97.2 | 122 | 174.5 | -54.1 | -179.4 | -177.6 | 174 | 0 | 110.9 | H187 E191 A192 V193 | H187-K189 WeakPolarHBondContact ND1-CB 3.37Å; H187-K189 PolarHBondContact ND1-N 3.11Å; H187-K189 PolarHBondContact ND1-O 3.14Å; H187-K189 VanDerWaalsContact ND1-O 3.17Å; H187-K189 PolarHBondContact O-N 3.14Å; K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 2.85Å; K189-A192 PolarHBondContact O-N 3.29Å; K189-V193 PolarHBondContact O-N 3.28Å |
| 190 | I | 94.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -32.7 | -178.4 | -173.9 | 55.1 | 0 | 0 | 0 | 113.1 | H57 V60 A192 V193 Q194 Y216 V238 | H57-I190 HydrophobicContact CB-CG2 4.02Å; H57-I190 WeakPolarHBondContact ND1-CG2 3.29Å; V60-I190 HydrophobicContact CG1-CG1 4.27Å; V60-I190 HydrophobicContact CG1-CG2 4.11Å; I190-A192 VanDerWaalsContact C-N 3.33Å; I190-A192 PolarHBondContact O-N 3.44Å; I190-V193 HydrophobicContact CD1-CB 4.27Å; I190-V193 WeakPolarHBondContact O-CB 3.41Å; I190-V193 PolarHBondContact O-N 2.89Å; I190-Q194 HydrophobicContact CD1-CG 4.12Å; I190-Q194 HydrophobicContact CG1-CG 4.24Å; I190-Q194 WeakPolarHBondContact O-CB 3.43Å; I190-Q194 PolarHBondContact O-N 3.34Å; I190-Y216 HydrophobicContact CD1-CD1 4.22Å; I190-Y216 HydrophobicContact CD1-CD2 3.33Å; I190-Y216 HydrophobicContact CD1-CE2 3.85Å; I190-Y216 HydrophobicContact CD1-CG 3.55Å; I190-Y216 HydrophobicContact CG1-CD1 4.32Å; I190-Y216 HydrophobicContact CG1-CD2 4.11Å; I190-Y216 HydrophobicContact CG1-CE1 4.48Å; I190-Y216 HydrophobicContact CG1-CE2 4.26Å; I190-Y216 HydrophobicContact CG1-CG 4.14Å; I190-V238 HydrophobicContact CB-CG1 3.92Å; I190-V238 HydrophobicContact CD1-CG1 3.9Å; I190-V238 HydrophobicContact CG1-CG1 4.46Å |
| 191 | E | 94.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 35% | 0.346 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61 | -45.3 | 179.3 | -64.1 | 85.3 | 170 | 0 | 0 | 110.9 | H57 K189 V193 Q194 E195 | H57-E191 IonicContact CE1-OE1 2.68Å; H57-E191 IonicContact CE1-OE2 3.88Å; H57-E191 IonicContact CG-OE1 2.77Å; H57-E191 VanDerWaalsContact ND1-CD 3.31Å; H57-E191 IonicContact ND1-OE1 2.81Å; H57-E191 PolarHBondContact ND1-OE1 3.48Å; H57-E191 IonicContact ND1-OE2 3.75Å; H57-E191 PolarHBondContact ND1-OE2 2.78Å; K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 2.85Å; E191-V193 PolarHBondContact O-N 3.48Å; E191-Q194 PolarHBondContact O-N 3.45Å; E191-E195 VanDerWaalsContact O-CB 3.27Å; E191-E195 WeakPolarHBondContact O-CB 3.42Å; E191-E195 PolarHBondContact O-N 3.13Å |
| 192 | A | 96.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 21% | 0.207 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H187 K189 I190 F196 L255 | H187-A192 HydrophobicContact CB-CB 4.5Å; H187-A192 WeakPolarHBondContact ND1-CB 3.35Å; K189-A192 PolarHBondContact O-N 3.29Å; I190-A192 VanDerWaalsContact C-N 3.33Å; I190-A192 PolarHBondContact O-N 3.44Å; A192-F196 VanDerWaalsContact O-CB 3.23Å; A192-F196 WeakPolarHBondContact O-CB 3.4Å; A192-F196 PolarHBondContact O-N 2.95Å; A192-L255 HydrophobicContact CB-CD2 4.01Å |
| 193 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | H187 K189 I190 E191 F196 T197 V238 | H187-V193 HydrophobicContact CB-CG2 3.56Å; H187-V193 WeakPolarHBondContact O-CG2 3.5Å; K189-V193 PolarHBondContact O-N 3.28Å; I190-V193 HydrophobicContact CD1-CB 4.27Å; I190-V193 WeakPolarHBondContact O-CB 3.41Å; I190-V193 PolarHBondContact O-N 2.89Å; E191-V193 PolarHBondContact O-N 3.48Å; V193-F196 PolarHBondContact O-N 3.22Å; V193-T197 HydrophobicContact CG1-CG2 4.09Å; V193-T197 VanDerWaalsContact O-CB 3.3Å; V193-T197 WeakPolarHBondContact O-CB 3.2Å; V193-T197 VanDerWaalsContact O-CG2 3.23Å; V193-T197 WeakPolarHBondContact O-CG2 3.39Å; V193-T197 PolarHBondContact O-N 3.48Å; V193-T197 PolarHBondContact O-OG1 3.06Å; V193-V238 HydrophobicContact CG2-CG1 4.43Å |
| 194 | Q | 96.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | -177.4 | -82.5 | 172.2 | -5 | 0 | 0 | 112.2 | F61 I190 E191 T197 R198 | F61-Q194 HydrophobicContact CD1-CG 4.39Å; F61-Q194 HydrophobicContact CE1-CB 3.79Å; F61-Q194 HydrophobicContact CE1-CG 3.98Å; F61-Q194 HydrophobicContact CE2-CG 4.43Å; F61-Q194 HydrophobicContact CZ-CB 3.74Å; F61-Q194 HydrophobicContact CZ-CG 4.01Å; F61-Q194 PolarHBondContact O-NE2 3.35Å; I190-Q194 HydrophobicContact CD1-CG 4.12Å; I190-Q194 HydrophobicContact CG1-CG 4.24Å; I190-Q194 WeakPolarHBondContact O-CB 3.43Å; I190-Q194 PolarHBondContact O-N 3.34Å; E191-Q194 PolarHBondContact O-N 3.45Å; Q194-T197 PolarHBondContact O-OG1 2.98Å; Q194-R198 VanDerWaalsContact O-CB 3.31Å; Q194-R198 WeakPolarHBondContact O-CB 3.41Å; Q194-R198 WeakPolarHBondContact O-CD 3.33Å; Q194-R198 WeakPolarHBondContact O-CG 3.26Å; Q194-R198 PolarHBondContact O-N 3.35Å |
| 195 | E | 96.6 | Very high | 97 | Very high | 112 Ų | 112 | 27.3 Ų | 27.3 | 52% | 0.523 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -68.2 | -42.9 | 176.6 | -176.5 | 168.6 | -157.9 | 0 | 0 | 112.8 | E191 R198 T199 | E191-E195 VanDerWaalsContact O-CB 3.27Å; E191-E195 WeakPolarHBondContact O-CB 3.42Å; E191-E195 PolarHBondContact O-N 3.13Å; E195-R198 WeakPolarHBondContact O-CG 3.43Å; E195-T199 PolarHBondContact O-OG1 3.49Å |
| 196 | F | 98.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.9 | -52.8 | 177.4 | -174.5 | -95.8 | 0 | 0 | 0 | 111.5 | I162 F166 L173 V185 A192 V193 R198 T199 L200 V253 L255 | I162-F196 HydrophobicContact CB-CE2 4.26Å; I162-F196 HydrophobicContact CD1-CD2 4.2Å; I162-F196 HydrophobicContact CD1-CE2 3.97Å; I162-F196 HydrophobicContact CG1-CD2 3.95Å; I162-F196 HydrophobicContact CG1-CE2 3.71Å; I162-F196 HydrophobicContact CG2-CE2 3.94Å; I162-F196 HydrophobicContact CG2-CZ 4.32Å; F166-F196 HydrophobicContact CD2-CE2 4.15Å; F166-F196 HydrophobicContact CD2-CZ 4.35Å; F166-F196 AromaticContact CE2-CE2 3.47Å; F166-F196 HydrophobicContact CE2-CE2 3.47Å; F166-F196 VanDerWaalsContact CE2-CE2 3.47Å; F166-F196 AromaticContact CE2-CZ 3.66Å; F166-F196 HydrophobicContact CE2-CZ 3.66Å; F166-F196 HydrophobicContact CZ-CE2 4.39Å; F166-F196 HydrophobicContact CZ-CZ 4.28Å; L173-F196 HydrophobicContact CD1-CZ 3.9Å; V185-F196 HydrophobicContact CB-CD1 4.39Å; V185-F196 HydrophobicContact CG1-CD1 3.63Å; V185-F196 HydrophobicContact CG1-CE1 4.07Å; V185-F196 HydrophobicContact CG1-CG 4.48Å; V185-F196 HydrophobicContact CG2-CD1 3.89Å; V185-F196 HydrophobicContact CG2-CE1 3.89Å; A192-F196 VanDerWaalsContact O-CB 3.23Å; A192-F196 WeakPolarHBondContact O-CB 3.4Å; A192-F196 PolarHBondContact O-N 2.95Å; V193-F196 PolarHBondContact O-N 3.22Å; F196-R198 PolarHBondContact O-N 3.35Å; F196-T199 WeakPolarHBondContact O-CB 3.43Å; F196-T199 PolarHBondContact O-N 2.96Å; F196-T199 VanDerWaalsContact O-N 3.13Å; F196-L200 HydrophobicContact CD1-CD1 4.17Å; F196-L200 HydrophobicContact CD1-CG 4.37Å; F196-L200 HydrophobicContact CE1-CD1 3.83Å; F196-L200 HydrophobicContact CE1-CD2 3.96Å; F196-L200 HydrophobicContact CE1-CG 4.11Å; F196-L200 HydrophobicContact CZ-CD2 4.04Å; F196-L200 PolarHBondContact O-N 3.34Å; F196-V253 HydrophobicContact CE1-CG1 4.02Å; F196-V253 HydrophobicContact CZ-CG1 4.09Å; F196-L255 HydrophobicContact CB-CD1 4.36Å; F196-L255 HydrophobicContact CB-CD2 3.87Å; F196-L255 HydrophobicContact CD1-CD1 4.41Å; F196-L255 HydrophobicContact CD2-CD1 3.51Å; F196-L255 HydrophobicContact CE2-CD1 3.8Å; F196-L255 HydrophobicContact CG-CD1 3.84Å; F196-L255 HydrophobicContact CG-CD2 4.19Å; F196-L255 HydrophobicContact CZ-CD1 4.34Å |
| 197 | T | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | V185 V193 Q194 T199 L200 P201 L213 S215 I234 | V185-T197 HydrophobicContact CB-CG2 3.82Å; V185-T197 HydrophobicContact CG1-CG2 4.29Å; V185-T197 HydrophobicContact CG2-CG2 3.77Å; V193-T197 HydrophobicContact CG1-CG2 4.09Å; V193-T197 VanDerWaalsContact O-CB 3.3Å; V193-T197 WeakPolarHBondContact O-CB 3.2Å; V193-T197 VanDerWaalsContact O-CG2 3.23Å; V193-T197 WeakPolarHBondContact O-CG2 3.39Å; V193-T197 PolarHBondContact O-N 3.48Å; V193-T197 PolarHBondContact O-OG1 3.06Å; Q194-T197 PolarHBondContact O-OG1 2.98Å; T197-T199 PolarHBondContact O-N 3.37Å; T197-L200 PolarHBondContact O-N 3.34Å; T197-P201 WeakPolarHBondContact O-CD 3.48Å; T197-L213 VanDerWaalsContact O-CD2 3.23Å; T197-L213 WeakPolarHBondContact O-CD2 3.37Å; T197-S215 WeakPolarHBondContact OG1-CB 3.36Å; T197-I234 HydrophobicContact CG2-CG2 3.92Å |
| 198 | R | 97.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 35 Ų | 35 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -22.3 | 178.7 | 68.5 | -179.9 | -112.2 | 104.6 | 35.1 | 113.9 | F97 E100 A153 Q194 E195 F196 W210 | F97-R198 HydrophobicContact CZ-CB 4.07Å; E100-R198 IonicContact OE1-CZ 3.54Å; E100-R198 IonicContact OE1-NH1 3.34Å; E100-R198 PolarHBondContact OE1-NH1 3.25Å; E100-R198 IonicContact OE1-NH2 2.87Å; E100-R198 IonicContact OE2-NH1 2.66Å; A153-R198 PolarHBondContact O-NH1 3.02Å; A153-R198 PolarHBondContact O-NH2 3.49Å; Q194-R198 VanDerWaalsContact O-CB 3.31Å; Q194-R198 WeakPolarHBondContact O-CB 3.41Å; Q194-R198 WeakPolarHBondContact O-CD 3.33Å; Q194-R198 WeakPolarHBondContact O-CG 3.26Å; Q194-R198 PolarHBondContact O-N 3.35Å; E195-R198 WeakPolarHBondContact O-CG 3.43Å; F196-R198 PolarHBondContact O-N 3.35Å; R198-W210 PolarHBondContact O-NE1 3.29Å |
| 199 | T | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -86.1 | -30.7 | -175.4 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | G157 I159 I162 E195 F196 T197 A202 | G157-T199 VanDerWaalsContact CA-OG1 3.3Å; G157-T199 WeakPolarHBondContact CA-OG1 3.25Å; I159-T199 HydrophobicContact CG1-CG2 3.73Å; I162-T199 HydrophobicContact CD1-CG2 3.56Å; I162-T199 HydrophobicContact CG1-CG2 4.29Å; E195-T199 PolarHBondContact O-OG1 3.49Å; F196-T199 WeakPolarHBondContact O-CB 3.43Å; F196-T199 PolarHBondContact O-N 2.96Å; F196-T199 VanDerWaalsContact O-N 3.13Å; T197-T199 PolarHBondContact O-N 3.37Å; T199-A202 VanDerWaalsContact O-CB 3.29Å; T199-A202 WeakPolarHBondContact O-CB 3.4Å; T199-A202 PolarHBondContact O-N 2.94Å |
| 200 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -54.9 | -42.8 | -174.5 | -69.3 | 179.1 | 0 | 0 | 0 | 115.2 | I162 L173 L177 I183 V185 F196 T197 A202 L203 I234 | I162-L200 HydrophobicContact CD1-CD2 3.84Å; L173-L200 HydrophobicContact CB-CD2 4.36Å; L173-L200 HydrophobicContact CD1-CD2 3.9Å; L177-L200 HydrophobicContact CD1-CB 4.27Å; L177-L200 WeakPolarHBondContact CD1-O 3.4Å; I183-L200 HydrophobicContact CG2-CD1 4.36Å; V185-L200 HydrophobicContact CG2-CD1 4.26Å; F196-L200 HydrophobicContact CD1-CD1 4.17Å; F196-L200 HydrophobicContact CD1-CG 4.37Å; F196-L200 HydrophobicContact CE1-CD1 3.83Å; F196-L200 HydrophobicContact CE1-CD2 3.96Å; F196-L200 HydrophobicContact CE1-CG 4.11Å; F196-L200 HydrophobicContact CZ-CD2 4.04Å; F196-L200 PolarHBondContact O-N 3.34Å; T197-L200 PolarHBondContact O-N 3.34Å; L200-A202 PolarHBondContact O-N 2.93Å; L200-L203 HydrophobicContact CD2-CD1 4.08Å; L200-L203 WeakPolarHBondContact O-CB 3.49Å; L200-L203 PolarHBondContact O-N 3.5Å; L200-I234 HydrophobicContact CB-CD1 3.52Å; L200-I234 HydrophobicContact CD1-CD1 4.11Å; L200-I234 HydrophobicContact CD1-CG2 3.66Å; L200-I234 HydrophobicContact CG-CD1 4.48Å |
| 201 | P | 97.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -60.2 | -21.4 | 179.7 | -22.2 | 33.3 | 0 | 0 | 0 | 113.6 | T197 L203 V204 W210 L213 I234 | T197-P201 WeakPolarHBondContact O-CD 3.48Å; P201-L203 PolarHBondContact O-N 3.08Å; P201-V204 CarbonylContact O-C 3.56Å; P201-V204 WeakPolarHBondContact O-CG2 3.3Å; P201-V204 PolarHBondContact O-N 2.87Å; P201-W210 HydrophobicContact CB-CD2 3.81Å; P201-W210 HydrophobicContact CB-CE3 3.81Å; P201-W210 HydrophobicContact CB-CH2 3.76Å; P201-W210 HydrophobicContact CB-CZ2 3.76Å; P201-W210 HydrophobicContact CB-CZ3 3.78Å; P201-W210 HydrophobicContact CG-CD2 4.06Å; P201-W210 HydrophobicContact CG-CG 4.38Å; P201-W210 HydrophobicContact CG-CZ2 4.24Å; P201-L213 HydrophobicContact CG-CD1 4.08Å; P201-L213 HydrophobicContact CG-CD2 3.58Å; P201-L213 HydrophobicContact CG-CG 3.88Å; P201-I234 HydrophobicContact CG-CD1 3.97Å |
| 202 | A | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -68.4 | -20.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I159 T199 L200 V204 W205 W210 I298 | I159-A202 HydrophobicContact CD1-CB 3.81Å; I159-A202 HydrophobicContact CG1-CB 4.38Å; T199-A202 VanDerWaalsContact O-CB 3.29Å; T199-A202 WeakPolarHBondContact O-CB 3.4Å; T199-A202 PolarHBondContact O-N 2.94Å; L200-A202 PolarHBondContact O-N 2.93Å; A202-V204 PolarHBondContact O-N 3.19Å; A202-W205 HydrophobicContact CB-CE3 4.05Å; A202-W205 HydrophobicContact CB-CZ3 4.3Å; A202-W205 PolarHBondContact O-N 3.43Å; A202-W210 HydrophobicContact CB-CH2 4.05Å; A202-W210 HydrophobicContact CB-CZ2 4.23Å; A202-I298 HydrophobicContact CB-CD1 3.87Å; A202-I298 HydrophobicContact CB-CG1 4.17Å |
| 203 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -63.4 | -22 | 169.8 | -67.4 | 169.6 | 0 | 0 | 0 | 112.3 | I159 T170 L173 H174 L177 L200 P201 I301 | I159-L203 HydrophobicContact CD1-CD2 4.03Å; I159-L203 HydrophobicContact CD1-CG 4.32Å; I159-L203 HydrophobicContact CG2-CD2 4.33Å; T170-L203 HydrophobicContact CG2-CD1 4.41Å; T170-L203 HydrophobicContact CG2-CD2 4.22Å; L173-L203 HydrophobicContact CB-CD1 4.05Å; H174-L203 PolarHBondContact CD2-O 2.82Å; H174-L203 VanDerWaalsContact CD2-O 3.3Å; L177-L203 HydrophobicContact CD1-CB 3.78Å; L177-L203 HydrophobicContact CD1-CD1 3.91Å; L177-L203 HydrophobicContact CD1-CG 4.41Å; L200-L203 HydrophobicContact CD2-CD1 4.08Å; L200-L203 WeakPolarHBondContact O-CB 3.49Å; L200-L203 PolarHBondContact O-N 3.5Å; P201-L203 PolarHBondContact O-N 3.08Å; L203-I301 HydrophobicContact CD2-CD1 3.96Å; L203-I301 WeakPolarHBondContact O-CG2 3.31Å |
| 204 | V | 96.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -120.9 | 50.4 | 176.1 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | L177 M178 P201 A202 H206 R207 | L177-V204 HydrophobicContact CB-CB 4.43Å; L177-V204 HydrophobicContact CB-CG1 3.61Å; L177-V204 HydrophobicContact CB-CG2 3.92Å; L177-V204 HydrophobicContact CD1-CG2 4.45Å; M178-V204 HydrophobicContact CG-CG1 3.83Å; M178-V204 HydrophobicContact SD-CG1 3.76Å; P201-V204 CarbonylContact O-C 3.56Å; P201-V204 WeakPolarHBondContact O-CG2 3.3Å; P201-V204 PolarHBondContact O-N 2.87Å; A202-V204 PolarHBondContact O-N 3.19Å; V204-H206 PolarHBondContact O-N 3.32Å; V204-R207 PolarHBondContact O-N 3.47Å |
| 205 | W | 95.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -28.3 | -172.6 | -169.5 | -104.9 | 0 | 0 | 0 | 115.5 | Y154 L155 A202 R207 Q208 W210 I298 A302 | Y154-W205 HydrophobicContact CD2-CH2 4.45Å; L155-W205 HydrophobicContact CD1-CH2 4.35Å; L155-W205 HydrophobicContact CD2-CE3 4.47Å; L155-W205 HydrophobicContact CD2-CH2 3.52Å; L155-W205 HydrophobicContact CD2-CZ2 4.27Å; L155-W205 HydrophobicContact CD2-CZ3 3.63Å; L155-W205 HydrophobicContact CG-CH2 3.76Å; L155-W205 HydrophobicContact CG-CZ3 4.23Å; A202-W205 HydrophobicContact CB-CE3 4.05Å; A202-W205 HydrophobicContact CB-CZ3 4.3Å; A202-W205 PolarHBondContact O-N 3.43Å; W205-R207 PolarHBondContact O-N 3.12Å; W205-R207 VanDerWaalsContact O-N 3.1Å; W205-Q208 WeakPolarHBondContact O-CG 3.45Å; W205-Q208 PolarHBondContact O-N 3.35Å; W205-W210 HydrophobicContact CE3-CH2 4.13Å; W205-W210 AromaticContact CZ3-CH2 3.82Å; W205-W210 HydrophobicContact CZ3-CH2 3.82Å; W205-W210 HydrophobicContact CZ3-CZ3 4.42Å; W205-I298 HydrophobicContact CB-CG2 3.7Å; W205-I298 HydrophobicContact CD2-CG2 3.63Å; W205-I298 HydrophobicContact CE3-CG2 3.74Å; W205-I298 HydrophobicContact CG-CG2 3.61Å; W205-A302 HydrophobicContact CB-CB 4.17Å |
| 206 | H | 92.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 24.5 Ų | 24.5 | 35% | 0.352 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.1 | 177.3 | 65.8 | -78.6 | 0 | 0 | 0 | 113.9 | M178 V204 F309 E352 | M178-H206 VanDerWaalsContact SD-CE1 3.56Å; V204-H206 PolarHBondContact O-N 3.32Å; H206-F309 AromaticContact CD2-CE2 3.68Å; H206-F309 AromaticContact CE1-CE2 3.92Å; H206-F309 AromaticContact NE2-CE2 3.54Å; H206-F309 AromaticContact NE2-CZ 3.62Å; H206-E352 IonicContact NE2-OE1 3.99Å |
| 207 | R | 93 | Very high | 96.1 | Very high | 56 Ų | 56 | 24.2 Ų | 24.2 | 21% | 0.211 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -31.1 | 177.9 | -63 | -175.2 | -179.3 | 155.9 | 1.9 | 114 | L177 M178 V204 W205 D209 E352 | L177-R207 PolarHBondContact O-NH1 3.05Å; M178-R207 PolarHBondContact O-NH2 3.04Å; V204-R207 PolarHBondContact O-N 3.47Å; W205-R207 PolarHBondContact O-N 3.12Å; W205-R207 VanDerWaalsContact O-N 3.1Å; R207-D209 HydrophobicContact CB-CB 4.29Å; R207-D209 PolarHBondContact O-N 3.46Å; R207-D209 VanDerWaalsContact O-N 3.11Å; R207-E352 IonicContact CZ-OE1 3.61Å; R207-E352 IonicContact NE-OE1 2.8Å; R207-E352 PolarHBondContact NE-OE1 2.87Å; R207-E352 IonicContact NH2-OE1 3.96Å; R207-E352 PolarHBondContact NH2-OE1 2.74Å |
| 208 | Q | 93.6 | Very high | 95.9 | Very high | 89 Ų | 89 | 25.9 Ų | 25.9 | 42% | 0.416 | 12% | 0.124 | S | C | . | . | trans | 46.4 | 37.5 | -174.4 | -56.4 | -169.3 | -19.6 | 0 | 0 | 114.2 | W205 | W205-Q208 WeakPolarHBondContact O-CG 3.45Å; W205-Q208 PolarHBondContact O-N 3.35Å | ||
| 209 | D | 93.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 27.6 Ų | 27.6 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | trans | -110.4 | 101.2 | -171.8 | -177 | 10.9 | 0 | 0 | 0 | 111.4 | R207 T211 | R207-D209 HydrophobicContact CB-CB 4.29Å; R207-D209 PolarHBondContact O-N 3.46Å; R207-D209 VanDerWaalsContact O-N 3.11Å; D209-T211 VanDerWaalsContact OD1-CB 3.26Å; D209-T211 WeakPolarHBondContact OD1-CB 3.27Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.4Å; D209-T211 PolarHBondContact OD1-N 2.92Å; D209-T211 PolarHBondContact OD1-OG1 3.49Å | ||
| 210 | W | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | trans | -90.7 | -2.2 | 173.8 | -91 | -119.2 | 0 | 0 | 0 | 112.4 | W68 F97 Y154 R198 P201 A202 W205 I212 L213 | W68-W210 VanDerWaalsContact CZ2-O 3.3Å; W68-W210 WeakPolarHBondContact CZ2-O 3.03Å; F97-W210 HydrophobicContact CB-CB 4.1Å; F97-W210 HydrophobicContact CD1-CB 4.13Å; F97-W210 AromaticContact CD1-CD1 3.38Å; F97-W210 AromaticContact CD1-CG 3.9Å; F97-W210 HydrophobicContact CD1-CG 3.9Å; F97-W210 AromaticContact CE1-CD1 3.24Å; F97-W210 HydrophobicContact CE1-CG 4.17Å; F97-W210 AromaticContact CE1-NE1 3.69Å; F97-W210 HydrophobicContact CG-CB 4.08Å; F97-W210 AromaticContact CG-CD1 3.89Å; F97-W210 HydrophobicContact CG-CG 4.29Å; F97-W210 AromaticContact CZ-CD1 3.63Å; Y154-W210 HydrophobicContact CD1-CB 4.47Å; Y154-W210 AromaticContact CD1-CD2 3.48Å; Y154-W210 HydrophobicContact CD1-CD2 3.48Å; Y154-W210 VanDerWaalsContact CD1-CD2 3.48Å; Y154-W210 AromaticContact CD1-CE2 3.73Å; Y154-W210 AromaticContact CD1-CE3 3.77Å; Y154-W210 HydrophobicContact CD1-CE3 3.77Å; Y154-W210 AromaticContact CD1-CG 3.76Å; Y154-W210 HydrophobicContact CD1-CG 3.76Å; Y154-W210 HydrophobicContact CD1-CZ2 4.26Å; Y154-W210 HydrophobicContact CD1-CZ3 4.28Å; Y154-W210 HydrophobicContact CD2-CE3 4.11Å; Y154-W210 HydrophobicContact CD2-CZ3 4.06Å; Y154-W210 HydrophobicContact CE1-CB 3.92Å; Y154-W210 AromaticContact CE1-CD2 3.73Å; Y154-W210 HydrophobicContact CE1-CD2 3.73Å; Y154-W210 AromaticContact CE1-CE3 3.9Å; Y154-W210 HydrophobicContact CE1-CE3 3.9Å; Y154-W210 AromaticContact CE1-CG 3.7Å; Y154-W210 HydrophobicContact CE1-CG 3.7Å; Y154-W210 HydrophobicContact CE2-CE3 4.22Å; Y154-W210 AromaticContact CG-CD2 3.99Å; Y154-W210 HydrophobicContact CG-CD2 3.99Å; Y154-W210 AromaticContact CG-CE3 3.89Å; Y154-W210 HydrophobicContact CG-CE3 3.89Å; Y154-W210 HydrophobicContact CG-CH2 4.07Å; Y154-W210 HydrophobicContact CG-CZ2 4.14Å; Y154-W210 AromaticContact CG-CZ3 3.94Å; Y154-W210 HydrophobicContact CG-CZ3 3.94Å; R198-W210 PolarHBondContact O-NE1 3.29Å; P201-W210 HydrophobicContact CB-CD2 3.81Å; P201-W210 HydrophobicContact CB-CE3 3.81Å; P201-W210 HydrophobicContact CB-CH2 3.76Å; P201-W210 HydrophobicContact CB-CZ2 3.76Å; P201-W210 HydrophobicContact CB-CZ3 3.78Å; P201-W210 HydrophobicContact CG-CD2 4.06Å; P201-W210 HydrophobicContact CG-CG 4.38Å; P201-W210 HydrophobicContact CG-CZ2 4.24Å; A202-W210 HydrophobicContact CB-CH2 4.05Å; A202-W210 HydrophobicContact CB-CZ2 4.23Å; W205-W210 HydrophobicContact CE3-CH2 4.13Å; W205-W210 AromaticContact CZ3-CH2 3.82Å; W205-W210 HydrophobicContact CZ3-CH2 3.82Å; W205-W210 HydrophobicContact CZ3-CZ3 4.42Å; W210-I212 PolarHBondContact O-N 3.37Å; W210-L213 HydrophobicContact CB-CD1 4.18Å; W210-L213 HydrophobicContact CG-CD1 3.83Å; W210-L213 VanDerWaalsContact O-CB 3.31Å; W210-L213 WeakPolarHBondContact O-CB 3.29Å; W210-L213 WeakPolarHBondContact O-CG 3.34Å; W210-L213 PolarHBondContact O-N 3.41Å; W210-L213 VanDerWaalsContact O-N 3.16Å | ||
| 211 | T | 94.7 | Very high | 95.6 | Very high | 77 Ų | 77 | 33 Ų | 33 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -14.4 | -179.7 | 73.4 | 0 | 0 | 0 | 0 | 113.2 | Q63 D209 L213 | Q63-T211 PolarHBondContact NE2-O 3.33Å; Q63-T211 PolarHBondContact OE1-O 2.95Å; D209-T211 VanDerWaalsContact OD1-CB 3.26Å; D209-T211 WeakPolarHBondContact OD1-CB 3.27Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.4Å; D209-T211 PolarHBondContact OD1-N 2.92Å; D209-T211 PolarHBondContact OD1-OG1 3.49Å; T211-L213 PolarHBondContact O-N 3.15Å |
| 212 | I | 95.6 | Very high | 95.4 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 21% | 0.205 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.8 | 174.1 | 64.9 | 171.7 | 0 | 0 | 0 | 113.7 | L177 W210 H214 Y233 I234 | L177-I212 HydrophobicContact CD2-CD1 4.41Å; W210-I212 PolarHBondContact O-N 3.37Å; I212-H214 PolarHBondContact O-CD2 2.95Å; I212-Y233 WeakPolarHBondContact O-CA 3.37Å; I212-I234 HydrophobicContact CD1-CD1 4.12Å; I212-I234 HydrophobicContact CD1-CG1 4.23Å; I212-I234 PolarHBondContact O-N 3.31Å |
| 213 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.8 | -175.4 | -68.6 | -174.9 | 0 | 0 | 0 | 112.8 | Q63 W68 F97 T197 P201 W210 T211 I234 | Q63-L213 VanDerWaalsContact CB-O 3.25Å; Q63-L213 WeakPolarHBondContact CB-O 3.38Å; Q63-L213 PolarHBondContact NE2-O 2.82Å; W68-L213 HydrophobicContact CH2-CB 3.75Å; W68-L213 HydrophobicContact CH2-CD1 4.38Å; W68-L213 HydrophobicContact CZ2-CB 4.47Å; F97-L213 HydrophobicContact CE2-CD1 4.4Å; T197-L213 VanDerWaalsContact O-CD2 3.23Å; T197-L213 WeakPolarHBondContact O-CD2 3.37Å; P201-L213 HydrophobicContact CG-CD1 4.08Å; P201-L213 HydrophobicContact CG-CD2 3.58Å; P201-L213 HydrophobicContact CG-CG 3.88Å; W210-L213 HydrophobicContact CB-CD1 4.18Å; W210-L213 HydrophobicContact CG-CD1 3.83Å; W210-L213 VanDerWaalsContact O-CB 3.31Å; W210-L213 WeakPolarHBondContact O-CB 3.29Å; W210-L213 WeakPolarHBondContact O-CG 3.34Å; W210-L213 PolarHBondContact O-N 3.41Å; W210-L213 VanDerWaalsContact O-N 3.16Å; T211-L213 PolarHBondContact O-N 3.15Å; L213-I234 HydrophobicContact CD2-CB 3.72Å; L213-I234 HydrophobicContact CD2-CD1 3.68Å; L213-I234 HydrophobicContact CD2-CG1 4.14Å; L213-I234 HydrophobicContact CD2-CG2 4.03Å |
| 214 | H | 97.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 72 | 171.8 | -59.4 | -89.2 | 0 | 0 | 0 | 108.5 | Q63 I212 Y216 V217 L227 I234 A235 G236 | Q63-H214 PolarHBondContact O-ND1 3.27Å; Q63-H214 VanDerWaalsContact O-ND1 3.11Å; I212-H214 PolarHBondContact O-CD2 2.95Å; H214-Y216 PolarHBondContact O-N 3.38Å; H214-Y216 VanDerWaalsContact O-N 3.11Å; H214-V217 HydrophobicContact CB-CG2 3.65Å; H214-V217 WeakPolarHBondContact O-CG2 3.43Å; H214-L227 HydrophobicContact CB-CD1 4.14Å; H214-I234 PolarHBondContact N-O 2.86Å; H214-A235 HydrophobicContact CB-CB 4.34Å; H214-A235 CarbonylContact O-C 3.57Å; H214-A235 WeakPolarHBondContact O-CA 2.85Å; H214-G236 PolarHBondContact O-N 3.33Å |
| 215 | S | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -6.6 | -168.2 | 52.5 | 0 | 0 | 0 | 0 | 116 | F61 G62 T197 | F61-S215 WeakPolarHBondContact CD2-OG 3.39Å; F61-S215 WeakPolarHBondContact CE2-OG 3.47Å; F61-S215 PolarHBondContact O-OG 2.96Å; G62-S215 WeakPolarHBondContact CA-OG 3.2Å; T197-S215 WeakPolarHBondContact OG1-CB 3.36Å |
| 216 | Y | 96.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 88.6 | 177.7 | -170.8 | -165.3 | 0 | 0 | 0 | 111.4 | K46 V60 F69 I190 H214 H218 V238 | K46-Y216 HydrophobicContact CD-CD1 3.88Å; K46-Y216 HydrophobicContact CD-CE1 4.01Å; K46-Y216 HydrophobicContact CD-CG 4.28Å; K46-Y216 WeakPolarHBondContact CE-O 3.32Å; K46-Y216 PolarHBondContact NZ-O 3.06Å; V60-Y216 HydrophobicContact CB-CD1 4.23Å; V60-Y216 HydrophobicContact CB-CE1 4.35Å; V60-Y216 HydrophobicContact CG1-CE1 4.47Å; V60-Y216 HydrophobicContact CG2-CD1 4.38Å; V60-Y216 HydrophobicContact CG2-CE1 4.27Å; F69-Y216 HydrophobicContact CE2-CD1 4.49Å; I190-Y216 HydrophobicContact CD1-CD1 4.22Å; I190-Y216 HydrophobicContact CD1-CD2 3.33Å; I190-Y216 HydrophobicContact CD1-CE2 3.85Å; I190-Y216 HydrophobicContact CD1-CG 3.55Å; I190-Y216 HydrophobicContact CG1-CD1 4.32Å; I190-Y216 HydrophobicContact CG1-CD2 4.11Å; I190-Y216 HydrophobicContact CG1-CE1 4.48Å; I190-Y216 HydrophobicContact CG1-CE2 4.26Å; I190-Y216 HydrophobicContact CG1-CG 4.14Å; H214-Y216 PolarHBondContact O-N 3.38Å; H214-Y216 VanDerWaalsContact O-N 3.11Å; Y216-H218 AromaticContact CE2-CE1 3.8Å; Y216-H218 AromaticContact CE2-NE2 3.35Å; Y216-H218 VanDerWaalsContact CE2-NE2 3.35Å; Y216-H218 WeakPolarHBondContact CE2-NE2 3.49Å; Y216-H218 AromaticContact CZ-CE1 3.73Å; Y216-H218 AromaticContact CZ-NE2 3.57Å; Y216-H218 PolarHBondContact OH-NE2 2.93Å; Y216-V238 HydrophobicContact CE2-CG1 4.48Å; Y216-V238 HydrophobicContact CE2-CG2 4.21Å |
| 217 | V | 97.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.8 | -178.9 | -175 | 0 | 0 | 0 | 0 | 110 | H214 E223 A235 G236 F237 | H214-V217 HydrophobicContact CB-CG2 3.65Å; H214-V217 WeakPolarHBondContact O-CG2 3.43Å; V217-E223 HydrophobicContact CG1-CB 4.21Å; V217-A235 HydrophobicContact CG2-CB 4.25Å; V217-G236 PolarHBondContact N-O 2.87Å; V217-F237 HydrophobicContact CB-CD1 4.21Å; V217-F237 HydrophobicContact CB-CE1 3.76Å; V217-F237 HydrophobicContact CB-CE2 4.12Å; V217-F237 HydrophobicContact CB-CZ 3.72Å; V217-F237 HydrophobicContact CG1-CD1 4.36Å; V217-F237 HydrophobicContact CG1-CE1 3.49Å; V217-F237 VanDerWaalsContact CG1-CE1 3.49Å; V217-F237 HydrophobicContact CG1-CE2 4.35Å; V217-F237 HydrophobicContact CG1-CZ 3.5Å; V217-F237 VanDerWaalsContact CG1-CZ 3.5Å; V217-F237 WeakPolarHBondContact O-CD1 3.17Å |
| 218 | H | 95.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | trans | -107.5 | 156.3 | 169.9 | -64.3 | 125.1 | 0 | 0 | 0 | 109.9 | K46 Y216 N220 E223 | K46-H218 WeakPolarHBondContact CE-ND1 3.48Å; K46-H218 PolarHBondContact NZ-ND1 2.89Å; Y216-H218 AromaticContact CE2-CE1 3.8Å; Y216-H218 AromaticContact CE2-NE2 3.35Å; Y216-H218 VanDerWaalsContact CE2-NE2 3.35Å; Y216-H218 WeakPolarHBondContact CE2-NE2 3.49Å; Y216-H218 AromaticContact CZ-CE1 3.73Å; Y216-H218 AromaticContact CZ-NE2 3.57Å; Y216-H218 PolarHBondContact OH-NE2 2.93Å; H218-N220 WeakPolarHBondContact CB-ND2 3.21Å; H218-N220 PolarHBondContact O-N 3.29Å; H218-E223 PolarHBondContact N-OE2 3.5Å; H218-E223 IonicContact ND1-OE1 3.52Å | ||
| 219 | L | 95.4 | Very high | 95 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -74.9 | 46.7 | 177.1 | -66.3 | 172.7 | 0 | 0 | 0 | 112.5 | L224 F237 D239 E241 V242 L248 | L219-L224 HydrophobicContact CD2-CD1 4.46Å; L219-L224 HydrophobicContact CD2-CD2 4.32Å; L219-F237 HydrophobicContact CD2-CD1 4.17Å; L219-F237 HydrophobicContact CD2-CE1 3.8Å; L219-F237 HydrophobicContact CG-CD1 4.36Å; L219-F237 HydrophobicContact CG-CE1 4.35Å; L219-D239 HydrophobicContact CD1-CB 4.21Å; L219-E241 HydrophobicContact CD1-CB 3.64Å; L219-V242 HydrophobicContact CD2-CB 4.15Å; L219-V242 HydrophobicContact CD2-CG2 4.13Å; L219-L248 HydrophobicContact CD2-CD1 4.29Å |
| 220 | N | 95.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -100.9 | 140.9 | 176.4 | -65.2 | -46.6 | 0 | 0 | 0 | 110.2 | R45 H218 D222 E223 L224 | R45-N220 PolarHBondContact NE-ND2 3.48Å; R45-N220 VanDerWaalsContact NH1-CG 3.27Å; R45-N220 PolarHBondContact NH1-ND2 2.67Å; H218-N220 WeakPolarHBondContact CB-ND2 3.21Å; H218-N220 PolarHBondContact O-N 3.29Å; N220-D222 VanDerWaalsContact C-N 3.3Å; N220-D222 WeakPolarHBondContact CB-OD1 3.09Å; N220-D222 PolarHBondContact O-N 3.43Å; N220-E223 PolarHBondContact ND2-OE1 2.78Å; N220-E223 PolarHBondContact O-N 3.11Å; N220-E223 VanDerWaalsContact O-N 3.09Å; N220-L224 WeakPolarHBondContact O-CG 3.29Å; N220-L224 PolarHBondContact O-N 2.92Å | ||
| 221 | A | 95 | Very high | 94.5 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -53.3 | -44.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E223 L224 E225 | A221-E223 VanDerWaalsContact C-N 3.31Å; A221-E223 PolarHBondContact O-N 3.34Å; A221-L224 PolarHBondContact O-N 2.87Å; A221-E225 WeakPolarHBondContact O-CB 3.47Å; A221-E225 VanDerWaalsContact O-CG 3.26Å; A221-E225 WeakPolarHBondContact O-CG 3.21Å; A221-E225 PolarHBondContact O-N 3.22Å |
| 222 | D | 94.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | -178.2 | 61.8 | -56.2 | 0 | 0 | 0 | 113.4 | R45 N220 A226 | R45-D222 IonicContact CZ-OD1 3.63Å; R45-D222 IonicContact CZ-OD2 2.69Å; R45-D222 IonicContact NH1-OD1 3.64Å; R45-D222 PolarHBondContact NH1-OD1 2.81Å; R45-D222 IonicContact NH1-OD2 3.5Å; R45-D222 VanDerWaalsContact NH2-CG 3.31Å; R45-D222 IonicContact NH2-OD1 3.31Å; R45-D222 PolarHBondContact NH2-OD1 2.59Å; R45-D222 IonicContact NH2-OD2 2.7Å; R45-D222 PolarHBondContact NH2-OD2 2.87Å; N220-D222 VanDerWaalsContact C-N 3.3Å; N220-D222 WeakPolarHBondContact CB-OD1 3.09Å; N220-D222 PolarHBondContact O-N 3.43Å; D222-A226 WeakPolarHBondContact O-CB 3.47Å; D222-A226 PolarHBondContact O-N 2.99Å |
| 223 | E | 96.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77 | -41.9 | 177 | -65.3 | 179.7 | -126 | 0 | 0 | 111.6 | L42 R45 K46 V217 H218 N220 A221 A226 L227 | L42-E223 VanDerWaalsContact CD1-CD 3.41Å; L42-E223 HydrophobicContact CD1-CG 3.53Å; L42-E223 VanDerWaalsContact CD1-OE1 3.31Å; L42-E223 WeakPolarHBondContact CD1-OE1 3.38Å; R45-E223 IonicContact CZ-OE1 3.48Å; R45-E223 IonicContact NE-OE1 3.62Å; R45-E223 IonicContact NH2-OE1 2.99Å; R45-E223 PolarHBondContact NH2-OE1 2.8Å; K46-E223 VanDerWaalsContact CE-OE2 3.23Å; K46-E223 WeakPolarHBondContact CE-OE2 3.3Å; K46-E223 IonicContact NZ-OE1 3.92Å; K46-E223 IonicContact NZ-OE2 3.41Å; K46-E223 PolarHBondContact NZ-OE2 2.98Å; V217-E223 HydrophobicContact CG1-CB 4.21Å; H218-E223 PolarHBondContact N-OE2 3.5Å; H218-E223 IonicContact ND1-OE1 3.52Å; N220-E223 PolarHBondContact ND2-OE1 2.78Å; N220-E223 PolarHBondContact O-N 3.11Å; N220-E223 VanDerWaalsContact O-N 3.09Å; A221-E223 VanDerWaalsContact C-N 3.31Å; A221-E223 PolarHBondContact O-N 3.34Å; E223-A226 PolarHBondContact O-N 2.94Å; E223-L227 WeakPolarHBondContact O-CB 3.31Å; E223-L227 PolarHBondContact O-N 3.25Å |
| 224 | L | 96.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 178.2 | -64 | -175.8 | 0 | 0 | 0 | 111.7 | L219 N220 A221 A226 L227 Q228 F237 L248 | L219-L224 HydrophobicContact CD2-CD1 4.46Å; L219-L224 HydrophobicContact CD2-CD2 4.32Å; N220-L224 WeakPolarHBondContact O-CG 3.29Å; N220-L224 PolarHBondContact O-N 2.92Å; A221-L224 PolarHBondContact O-N 2.87Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-A226 PolarHBondContact O-N 2.85Å; L224-L227 PolarHBondContact O-N 3.38Å; L224-Q228 WeakPolarHBondContact O-CB 3.24Å; L224-Q228 VanDerWaalsContact O-CG 3.32Å; L224-Q228 WeakPolarHBondContact O-CG 3.49Å; L224-Q228 PolarHBondContact O-N 2.87Å; L224-F237 HydrophobicContact CD2-CE1 4.32Å; L224-F237 HydrophobicContact CD2-CZ 4.34Å; L224-L248 HydrophobicContact CD1-CD1 4.4Å; L224-L248 HydrophobicContact CD2-CD1 3.81Å; L224-L248 HydrophobicContact CD2-CD2 4.25Å |
| 225 | E | 94.9 | Very high | 94.7 | Very high | 114 Ų | 114 | 41.8 Ų | 41.8 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -46.8 | 173 | -76.4 | 173 | -166.8 | 0 | 0 | 111 | A221 L227 Q228 M229 | A221-E225 WeakPolarHBondContact O-CB 3.47Å; A221-E225 VanDerWaalsContact O-CG 3.26Å; A221-E225 WeakPolarHBondContact O-CG 3.21Å; A221-E225 PolarHBondContact O-N 3.22Å; E225-L227 VanDerWaalsContact C-N 3.27Å; E225-L227 PolarHBondContact O-N 3.11Å; E225-Q228 PolarHBondContact O-N 3.23Å; E225-M229 WeakPolarHBondContact O-CG 3.4Å; E225-M229 PolarHBondContact O-N 3.1Å |
| 226 | A | 93.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y64 R65 D222 E223 L224 | Y64-A226 HydrophobicContact CD2-CB 4.04Å; Y64-A226 HydrophobicContact CE2-CB 3.61Å; R65-A226 HydrophobicContact CG-CB 3.91Å; D222-A226 WeakPolarHBondContact O-CB 3.47Å; D222-A226 PolarHBondContact O-N 2.99Å; E223-A226 PolarHBondContact O-N 2.94Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-A226 PolarHBondContact O-N 2.85Å |
| 227 | L | 94.4 | Very high | 95 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -42.2 | 178.6 | -170.8 | 65.6 | 0 | 0 | 0 | 111.9 | H214 E223 L224 E225 M229 C230 Y233 A235 F237 | H214-L227 HydrophobicContact CB-CD1 4.14Å; E223-L227 WeakPolarHBondContact O-CB 3.31Å; E223-L227 PolarHBondContact O-N 3.25Å; L224-L227 PolarHBondContact O-N 3.38Å; E225-L227 VanDerWaalsContact C-N 3.27Å; E225-L227 PolarHBondContact O-N 3.11Å; L227-M229 PolarHBondContact O-N 2.87Å; L227-C230 WeakPolarHBondContact O-CB 3.27Å; L227-C230 PolarHBondContact O-N 2.89Å; L227-Y233 HydrophobicContact CD1-CD1 3.8Å; L227-Y233 HydrophobicContact CD1-CD2 3.64Å; L227-Y233 HydrophobicContact CD1-CE1 4.03Å; L227-Y233 HydrophobicContact CD1-CE2 3.91Å; L227-Y233 HydrophobicContact CD1-CG 3.57Å; L227-Y233 HydrophobicContact CD2-CD2 4.22Å; L227-Y233 HydrophobicContact CD2-CE1 4.36Å; L227-Y233 HydrophobicContact CD2-CE2 3.65Å; L227-Y233 HydrophobicContact CG-CD1 3.97Å; L227-Y233 HydrophobicContact CG-CD2 4.03Å; L227-Y233 HydrophobicContact CG-CE1 3.66Å; L227-Y233 HydrophobicContact CG-CE2 3.75Å; L227-Y233 HydrophobicContact CG-CG 4.13Å; L227-Y233 WeakPolarHBondContact O-CE1 3.45Å; L227-A235 HydrophobicContact CD1-CB 4.02Å; L227-A235 HydrophobicContact CD2-CB 3.75Å; L227-F237 HydrophobicContact CD2-CZ 4.27Å |
| 228 | Q | 91.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.2 | -19.2 | 179.1 | -73.9 | 176.6 | -27.3 | 0 | 0 | 113.6 | L224 E225 C230 L248 | L224-Q228 WeakPolarHBondContact O-CB 3.24Å; L224-Q228 VanDerWaalsContact O-CG 3.32Å; L224-Q228 WeakPolarHBondContact O-CG 3.49Å; L224-Q228 PolarHBondContact O-N 2.87Å; E225-Q228 PolarHBondContact O-N 3.23Å; Q228-C230 PolarHBondContact O-N 2.86Å; Q228-L248 HydrophobicContact CG-CD2 4.31Å |
| 229 | M | 91.1 | Very high | 94.9 | Very high | 162 Ų | 162 | 44.1 Ų | 44.1 | 80% | 0.798 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15 | 171.1 | -67.1 | -62.6 | -65.2 | 0 | 0 | 113.3 | E225 L227 | E225-M229 WeakPolarHBondContact O-CG 3.4Å; E225-M229 PolarHBondContact O-N 3.1Å; L227-M229 PolarHBondContact O-N 2.87Å |
| 230 | C | 91.4 | Very high | 95 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -87.4 | 133.1 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | L227 Q228 G232 Y233 | L227-C230 WeakPolarHBondContact O-CB 3.27Å; L227-C230 PolarHBondContact O-N 2.89Å; Q228-C230 PolarHBondContact O-N 2.86Å; C230-G232 VanDerWaalsContact C-N 3.28Å; C230-G232 PolarHBondContact O-N 3.35Å; C230-Y233 HydrophobicContact CB-CD1 3.88Å |
| 231 | T | 86.9 | Confident | 95.1 | Very high | 134 Ų | 134 | 48 Ų | 48 | 82% | 0.822 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -68.4 | -29.1 | 178.7 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 232 | G | 94.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -157.2 | 143.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K180 C230 | K180-G232 WeakPolarHBondContact O-CA 3.03Å; C230-G232 VanDerWaalsContact C-N 3.28Å; C230-G232 PolarHBondContact O-N 3.35Å |
| 233 | Y | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 166.6 | -173.9 | 54 | -105 | 0 | 0 | 0 | 112 | R182 I183 V184 I212 L227 C230 A235 L248 | R182-Y233 HydrophobicContact CB-CD1 4.5Å; R182-Y233 HydrophobicContact CB-CD2 4.31Å; R182-Y233 HydrophobicContact CB-CE1 4.06Å; R182-Y233 HydrophobicContact CB-CE2 3.82Å; R182-Y233 HydrophobicContact CG-CD1 3.98Å; R182-Y233 HydrophobicContact CG-CE1 3.55Å; R182-Y233 HydrophobicContact CG-CE2 4.26Å; I183-Y233 PolarHBondContact N-O 3.04Å; V184-Y233 HydrophobicContact CG2-CE2 4.31Å; I212-Y233 WeakPolarHBondContact O-CA 3.37Å; L227-Y233 HydrophobicContact CD1-CD1 3.8Å; L227-Y233 HydrophobicContact CD1-CD2 3.64Å; L227-Y233 HydrophobicContact CD1-CE1 4.03Å; L227-Y233 HydrophobicContact CD1-CE2 3.91Å; L227-Y233 HydrophobicContact CD1-CG 3.57Å; L227-Y233 HydrophobicContact CD2-CD2 4.22Å; L227-Y233 HydrophobicContact CD2-CE1 4.36Å; L227-Y233 HydrophobicContact CD2-CE2 3.65Å; L227-Y233 HydrophobicContact CG-CD1 3.97Å; L227-Y233 HydrophobicContact CG-CD2 4.03Å; L227-Y233 HydrophobicContact CG-CE1 3.66Å; L227-Y233 HydrophobicContact CG-CE2 3.75Å; L227-Y233 HydrophobicContact CG-CG 4.13Å; L227-Y233 WeakPolarHBondContact O-CE1 3.45Å; C230-Y233 HydrophobicContact CB-CD1 3.88Å; Y233-A235 HydrophobicContact CD2-CB 3.8Å; Y233-A235 HydrophobicContact CE2-CB 3.98Å; Y233-L248 PolarHBondContact OH-O 2.64Å |
| 234 | I | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.8 | 167.3 | -53 | -179.5 | 0 | 0 | 0 | 106.9 | L177 I183 T197 L200 P201 I212 L213 H214 | L177-I234 HydrophobicContact CD2-CD1 3.49Å; L177-I234 VanDerWaalsContact CD2-CD1 3.49Å; L177-I234 HydrophobicContact CD2-CG1 4.04Å; I183-I234 HydrophobicContact CB-CG1 4.49Å; I183-I234 CarbonylContact O-C 3.48Å; I183-I234 WeakPolarHBondContact O-CA 3.38Å; T197-I234 HydrophobicContact CG2-CG2 3.92Å; L200-I234 HydrophobicContact CB-CD1 3.52Å; L200-I234 HydrophobicContact CD1-CD1 4.11Å; L200-I234 HydrophobicContact CD1-CG2 3.66Å; L200-I234 HydrophobicContact CG-CD1 4.48Å; P201-I234 HydrophobicContact CG-CD1 3.97Å; I212-I234 HydrophobicContact CD1-CD1 4.12Å; I212-I234 HydrophobicContact CD1-CG1 4.23Å; I212-I234 PolarHBondContact O-N 3.31Å; L213-I234 HydrophobicContact CD2-CB 3.72Å; L213-I234 HydrophobicContact CD2-CD1 3.68Å; L213-I234 HydrophobicContact CD2-CG1 4.14Å; L213-I234 HydrophobicContact CD2-CG2 4.03Å; H214-I234 PolarHBondContact N-O 2.86Å |
| 235 | A | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I183 V184 V185 H214 V217 L227 Y233 F237 | I183-A235 PolarHBondContact O-N 3.3Å; V184-A235 CarbonylContact C-O 3.51Å; V184-A235 WeakPolarHBondContact CA-O 3.25Å; V184-A235 HydrophobicContact CG2-CB 4.37Å; V185-A235 PolarHBondContact N-O 3.32Å; H214-A235 HydrophobicContact CB-CB 4.34Å; H214-A235 CarbonylContact O-C 3.57Å; H214-A235 WeakPolarHBondContact O-CA 2.85Å; V217-A235 HydrophobicContact CG2-CB 4.25Å; L227-A235 HydrophobicContact CD1-CB 4.02Å; L227-A235 HydrophobicContact CD2-CB 3.75Å; Y233-A235 HydrophobicContact CD2-CB 3.8Å; Y233-A235 HydrophobicContact CE2-CB 3.98Å; A235-F237 HydrophobicContact CB-CD2 4.36Å; A235-F237 HydrophobicContact CB-CE2 3.6Å; A235-F237 HydrophobicContact CB-CZ 4.4Å |
| 236 | G | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V185 H214 V217 | V185-G236 CarbonylContact O-C 3.53Å; V185-G236 WeakPolarHBondContact O-CA 3.39Å; H214-G236 PolarHBondContact O-N 3.33Å; V217-G236 PolarHBondContact N-O 2.87Å |
| 237 | F | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.8 | -179.2 | -68.1 | -100.6 | 0 | 0 | 0 | 111 | V184 V185 Y186 H187 V217 L219 L224 L227 A235 V242 | V184-F237 HydrophobicContact CG1-CD2 3.71Å; V184-F237 HydrophobicContact CG1-CE2 3.94Å; V184-F237 HydrophobicContact CG2-CE2 4.02Å; V185-F237 PolarHBondContact O-N 3.2Å; Y186-F237 WeakPolarHBondContact CA-O 3.44Å; H187-F237 PolarHBondContact N-O 2.83Å; H187-F237 VanDerWaalsContact N-O 3.17Å; V217-F237 HydrophobicContact CB-CD1 4.21Å; V217-F237 HydrophobicContact CB-CE1 3.76Å; V217-F237 HydrophobicContact CB-CE2 4.12Å; V217-F237 HydrophobicContact CB-CZ 3.72Å; V217-F237 HydrophobicContact CG1-CD1 4.36Å; V217-F237 HydrophobicContact CG1-CE1 3.49Å; V217-F237 VanDerWaalsContact CG1-CE1 3.49Å; V217-F237 HydrophobicContact CG1-CE2 4.35Å; V217-F237 HydrophobicContact CG1-CZ 3.5Å; V217-F237 VanDerWaalsContact CG1-CZ 3.5Å; V217-F237 WeakPolarHBondContact O-CD1 3.17Å; L219-F237 HydrophobicContact CD2-CD1 4.17Å; L219-F237 HydrophobicContact CD2-CE1 3.8Å; L219-F237 HydrophobicContact CG-CD1 4.36Å; L219-F237 HydrophobicContact CG-CE1 4.35Å; L224-F237 HydrophobicContact CD2-CE1 4.32Å; L224-F237 HydrophobicContact CD2-CZ 4.34Å; L227-F237 HydrophobicContact CD2-CZ 4.27Å; A235-F237 HydrophobicContact CB-CD2 4.36Å; A235-F237 HydrophobicContact CB-CE2 3.6Å; A235-F237 HydrophobicContact CB-CZ 4.4Å; F237-V242 HydrophobicContact CB-CB 4.32Å; F237-V242 HydrophobicContact CB-CG1 3.92Å; F237-V242 HydrophobicContact CD1-CB 4.07Å; F237-V242 HydrophobicContact CD1-CG2 3.93Å; F237-V242 HydrophobicContact CD2-CB 4.45Å; F237-V242 HydrophobicContact CD2-CG1 4.38Å; F237-V242 HydrophobicContact CD2-CG2 3.89Å; F237-V242 HydrophobicContact CE1-CB 4.5Å; F237-V242 HydrophobicContact CE1-CG2 3.92Å; F237-V242 HydrophobicContact CE2-CG2 3.87Å; F237-V242 HydrophobicContact CG-CB 4.03Å; F237-V242 HydrophobicContact CG-CG1 4.06Å; F237-V242 HydrophobicContact CG-CG2 3.91Å; F237-V242 HydrophobicContact CZ-CG2 3.89Å |
| 238 | V | 95.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -103.9 | -2.2 | 171.6 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | H187 I190 V193 Y216 | H187-V238 WeakPolarHBondContact O-CA 3.45Å; I190-V238 HydrophobicContact CB-CG1 3.92Å; I190-V238 HydrophobicContact CD1-CG1 3.9Å; I190-V238 HydrophobicContact CG1-CG1 4.46Å; V193-V238 HydrophobicContact CG2-CG1 4.43Å; Y216-V238 HydrophobicContact CE2-CG1 4.48Å; Y216-V238 HydrophobicContact CE2-CG2 4.21Å |
| 239 | D | 95.3 | Very high | 95.6 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 40% | 0.401 | 27% | 0.265 | S | S | . | . | trans | -107.5 | 121.3 | 179.6 | -170.1 | -20.9 | 0 | 0 | 0 | 109.4 | L219 E241 V242 | L219-D239 HydrophobicContact CD1-CB 4.21Å; D239-E241 PolarHBondContact O-N 3.35Å; D239-E241 WeakPolarHBondContact OD1-CB 3.44Å; D239-E241 WeakPolarHBondContact OD1-CG 3.19Å; D239-E241 PolarHBondContact OD1-N 3.02Å; D239-V242 WeakPolarHBondContact O-CG1 3.29Å; D239-V242 PolarHBondContact O-N 2.86Å | ||
| 240 | L | 96.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 40% | 0.398 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -67.8 | -20.2 | -176.9 | -177.4 | 57.8 | 0 | 0 | 0 | 112 | Y186 V242 S243 | Y186-L240 HydrophobicContact CD1-CD1 3.65Å; Y186-L240 HydrophobicContact CD2-CB 4.29Å; Y186-L240 HydrophobicContact CD2-CD1 4.46Å; Y186-L240 HydrophobicContact CE1-CB 4.18Å; Y186-L240 HydrophobicContact CE1-CD1 3.56Å; Y186-L240 HydrophobicContact CE1-CG 4.32Å; Y186-L240 VanDerWaalsContact CE2-CA 3.43Å; Y186-L240 HydrophobicContact CE2-CB 3.69Å; Y186-L240 HydrophobicContact CE2-CD1 4.39Å; Y186-L240 HydrophobicContact CG-CD1 4.11Å; L240-V242 PolarHBondContact O-N 3.02Å; L240-S243 VanDerWaalsContact O-CB 3.29Å; L240-S243 WeakPolarHBondContact O-CB 3.33Å; L240-S243 PolarHBondContact O-N 3.24Å; L240-S243 PolarHBondContact O-OG 3.18Å |
| 241 | E | 97.1 | Very high | 96.3 | Very high | 108 Ų | 108 | 40 Ų | 40 | 51% | 0.505 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -59.3 | -17.8 | 178.7 | -70.4 | -57.2 | 141.7 | 0 | 0 | 113 | L219 D239 S243 N244 | L219-E241 HydrophobicContact CD1-CB 3.64Å; D239-E241 PolarHBondContact O-N 3.35Å; D239-E241 WeakPolarHBondContact OD1-CB 3.44Å; D239-E241 WeakPolarHBondContact OD1-CG 3.19Å; D239-E241 PolarHBondContact OD1-N 3.02Å; E241-S243 PolarHBondContact O-N 2.89Å; E241-N244 WeakPolarHBondContact O-CB 3.43Å; E241-N244 PolarHBondContact O-N 3.45Å; E241-N244 PolarHBondContact OE2-ND2 3.47Å |
| 242 | V | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.7 | 172 | 77.4 | 0 | 0 | 0 | 0 | 112.6 | V184 L219 F237 D239 L240 N244 R245 L248 Y249 F252 | V184-V242 HydrophobicContact CG1-CB 4.46Å; V184-V242 HydrophobicContact CG1-CG1 3.88Å; V184-V242 HydrophobicContact CG1-CG2 3.71Å; L219-V242 HydrophobicContact CD2-CB 4.15Å; L219-V242 HydrophobicContact CD2-CG2 4.13Å; F237-V242 HydrophobicContact CB-CB 4.32Å; F237-V242 HydrophobicContact CB-CG1 3.92Å; F237-V242 HydrophobicContact CD1-CB 4.07Å; F237-V242 HydrophobicContact CD1-CG2 3.93Å; F237-V242 HydrophobicContact CD2-CB 4.45Å; F237-V242 HydrophobicContact CD2-CG1 4.38Å; F237-V242 HydrophobicContact CD2-CG2 3.89Å; F237-V242 HydrophobicContact CE1-CB 4.5Å; F237-V242 HydrophobicContact CE1-CG2 3.92Å; F237-V242 HydrophobicContact CE2-CG2 3.87Å; F237-V242 HydrophobicContact CG-CB 4.03Å; F237-V242 HydrophobicContact CG-CG1 4.06Å; F237-V242 HydrophobicContact CG-CG2 3.91Å; F237-V242 HydrophobicContact CZ-CG2 3.89Å; D239-V242 WeakPolarHBondContact O-CG1 3.29Å; D239-V242 PolarHBondContact O-N 2.86Å; L240-V242 PolarHBondContact O-N 3.02Å; V242-N244 PolarHBondContact O-N 3.22Å; V242-R245 WeakPolarHBondContact O-CB 3.4Å; V242-R245 PolarHBondContact O-N 2.93Å; V242-L248 HydrophobicContact CG2-CD1 4.2Å; V242-Y249 WeakPolarHBondContact O-CE1 3.43Å; V242-F252 HydrophobicContact CG1-CE2 3.8Å |
| 243 | S | 96.7 | Very high | 97 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -63.6 | -23.5 | 175.3 | 65 | 0 | 0 | 0 | 0 | 112.9 | L240 E241 R245 Y249 | L240-S243 VanDerWaalsContact O-CB 3.29Å; L240-S243 WeakPolarHBondContact O-CB 3.33Å; L240-S243 PolarHBondContact O-N 3.24Å; L240-S243 PolarHBondContact O-OG 3.18Å; E241-S243 PolarHBondContact O-N 2.89Å; S243-R245 PolarHBondContact O-N 3.31Å; S243-Y249 PolarHBondContact O-OH 3.46Å |
| 244 | N | 96.3 | Very high | 97.1 | Very high | 107 Ų | 107 | 34.7 Ų | 34.7 | 57% | 0.572 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -85.1 | 6.8 | 176.3 | -63.4 | -39.1 | 0 | 0 | 0 | 112.6 | E241 V242 P246 | E241-N244 WeakPolarHBondContact O-CB 3.43Å; E241-N244 PolarHBondContact O-N 3.45Å; E241-N244 PolarHBondContact OE2-ND2 3.47Å; V242-N244 PolarHBondContact O-N 3.22Å; N244-P246 VanDerWaalsContact C-CD 3.43Å; N244-P246 VanDerWaalsContact O-CD 3.29Å; N244-P246 WeakPolarHBondContact O-CD 3.13Å |
| 245 | R | 95.5 | Very high | 97 | Very high | 90 Ų | 90 | 35.3 Ų | 35.3 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | trans | -121.6 | 66.9 | -173.1 | -65 | -66.3 | -58.7 | -95 | -5.3 | 112.4 | V242 S243 D247 L248 Y249 | V242-R245 WeakPolarHBondContact O-CB 3.4Å; V242-R245 PolarHBondContact O-N 2.93Å; S243-R245 PolarHBondContact O-N 3.31Å; R245-D247 VanDerWaalsContact C-OD1 3.28Å; R245-D247 WeakPolarHBondContact CA-OD1 3.36Å; R245-D247 WeakPolarHBondContact CB-OD1 3.5Å; R245-D247 IonicContact CZ-OD1 3.95Å; R245-D247 IonicContact CZ-OD2 2.66Å; R245-D247 IonicContact NE-OD1 2.81Å; R245-D247 PolarHBondContact NE-OD1 2.69Å; R245-D247 IonicContact NE-OD2 3.53Å; R245-D247 PolarHBondContact NE-OD2 3.22Å; R245-D247 IonicContact NH2-OD1 3.78Å; R245-D247 IonicContact NH2-OD2 2.77Å; R245-D247 PolarHBondContact NH2-OD2 3.49Å; R245-D247 PolarHBondContact O-N 2.93Å; R245-L248 HydrophobicContact CB-CB 4.38Å; R245-L248 HydrophobicContact CB-CD1 3.66Å; R245-L248 HydrophobicContact CB-CG 3.93Å; R245-L248 HydrophobicContact CG-CD1 4.18Å; R245-L248 WeakPolarHBondContact O-CB 3.31Å; R245-L248 PolarHBondContact O-N 3.08Å; R245-Y249 WeakPolarHBondContact O-CD1 3.45Å; R245-Y249 VanDerWaalsContact O-CE1 3.23Å; R245-Y249 WeakPolarHBondContact O-CE1 3.22Å | ||
| 246 | P | 94 | Very high | 96.9 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -65 | -11.5 | 178.9 | 29.7 | -36.8 | 0 | 0 | 0 | 113.2 | N244 L248 Y249 | N244-P246 VanDerWaalsContact C-CD 3.43Å; N244-P246 VanDerWaalsContact O-CD 3.29Å; N244-P246 WeakPolarHBondContact O-CD 3.13Å; P246-L248 PolarHBondContact O-N 3.38Å; P246-Y249 VanDerWaalsContact O-O 3.06Å |
| 247 | D | 94.3 | Very high | 96.9 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -65.7 | -23.6 | 168.5 | 61.8 | -60.8 | 0 | 0 | 0 | 112.7 | R182 R245 | R182-D247 PolarHBondContact NH1-O 2.77Å; R245-D247 VanDerWaalsContact C-OD1 3.28Å; R245-D247 WeakPolarHBondContact CA-OD1 3.36Å; R245-D247 WeakPolarHBondContact CB-OD1 3.5Å; R245-D247 IonicContact CZ-OD1 3.95Å; R245-D247 IonicContact CZ-OD2 2.66Å; R245-D247 IonicContact NE-OD1 2.81Å; R245-D247 PolarHBondContact NE-OD1 2.69Å; R245-D247 IonicContact NE-OD2 3.53Å; R245-D247 PolarHBondContact NE-OD2 3.22Å; R245-D247 IonicContact NH2-OD1 3.78Å; R245-D247 IonicContact NH2-OD2 2.77Å; R245-D247 PolarHBondContact NH2-OD2 3.49Å; R245-D247 PolarHBondContact O-N 2.93Å |
| 248 | L | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -93.8 | -5.2 | -177 | -61 | 179.5 | 0 | 0 | 0 | 114.2 | L219 L224 Q228 Y233 V242 R245 P246 | L219-L248 HydrophobicContact CD2-CD1 4.29Å; L224-L248 HydrophobicContact CD1-CD1 4.4Å; L224-L248 HydrophobicContact CD2-CD1 3.81Å; L224-L248 HydrophobicContact CD2-CD2 4.25Å; Q228-L248 HydrophobicContact CG-CD2 4.31Å; Y233-L248 PolarHBondContact OH-O 2.64Å; V242-L248 HydrophobicContact CG2-CD1 4.2Å; R245-L248 HydrophobicContact CB-CB 4.38Å; R245-L248 HydrophobicContact CB-CD1 3.66Å; R245-L248 HydrophobicContact CB-CG 3.93Å; R245-L248 HydrophobicContact CG-CD1 4.18Å; R245-L248 WeakPolarHBondContact O-CB 3.31Å; R245-L248 PolarHBondContact O-N 3.08Å; P246-L248 PolarHBondContact O-N 3.38Å |
| 249 | Y | 97.5 | Very high | 97 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | trans | -151.5 | 154.6 | -178.1 | 60.1 | -97 | 0 | 0 | 0 | 113.5 | V184 V242 S243 R245 P246 F252 A263 | V184-Y249 HydrophobicContact CB-CD1 4.17Å; V184-Y249 HydrophobicContact CB-CG 4.25Å; V184-Y249 HydrophobicContact CG2-CD1 4.24Å; V184-Y249 HydrophobicContact CG2-CG 4.37Å; V242-Y249 WeakPolarHBondContact O-CE1 3.43Å; S243-Y249 PolarHBondContact O-OH 3.46Å; R245-Y249 WeakPolarHBondContact O-CD1 3.45Å; R245-Y249 VanDerWaalsContact O-CE1 3.23Å; R245-Y249 WeakPolarHBondContact O-CE1 3.22Å; P246-Y249 VanDerWaalsContact O-O 3.06Å; Y249-F252 HydrophobicContact CD1-CB 4.35Å; Y249-F252 HydrophobicContact CD2-CB 3.63Å; Y249-F252 HydrophobicContact CE1-CB 4.18Å; Y249-F252 HydrophobicContact CE1-CD2 4.32Å; Y249-F252 HydrophobicContact CE1-CG 4.43Å; Y249-F252 HydrophobicContact CE2-CB 3.44Å; Y249-F252 VanDerWaalsContact CE2-CB 3.44Å; Y249-F252 HydrophobicContact CE2-CG 4.4Å; Y249-F252 HydrophobicContact CG-CB 4.1Å; Y249-A263 HydrophobicContact CD2-CB 4.08Å; Y249-A263 HydrophobicContact CE2-CB 4.07Å; Y249-A263 WeakPolarHBondContact O-CB 3.25Å | ||
| 250 | D | 98.2 | Very high | 97.1 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -98.5 | -32.4 | 165.4 | -58.7 | -48.9 | 0 | 0 | 0 | 110.2 | K181 R182 A263 A266 | K181-D250 HydrophobicContact CB-CB 3.9Å; K181-D250 HydrophobicContact CD-CB 4.13Å; K181-D250 HydrophobicContact CG-CB 4.35Å; R182-D250 IonicContact CZ-OD1 3.79Å; R182-D250 PolarHBondContact N-OD2 3.39Å; R182-D250 IonicContact NE-OD1 3.59Å; R182-D250 IonicContact NE-OD2 2.9Å; R182-D250 PolarHBondContact NE-OD2 3.44Å; R182-D250 IonicContact NH2-OD1 3.42Å; R182-D250 PolarHBondContact NH2-OD1 3.41Å; R182-D250 IonicContact NH2-OD2 3.53Å; R182-D250 PolarHBondContact O-N 2.7Å; D250-A263 PolarHBondContact O-N 2.83Å; D250-A266 HydrophobicContact CB-CB 3.66Å |
| 251 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.8 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | I172 L173 A176 R182 I183 V184 V253 I260 T261 M270 | I172-V251 HydrophobicContact CG2-CG1 4.39Å; I172-V251 HydrophobicContact CG2-CG2 4.46Å; L173-V251 HydrophobicContact CD2-CG1 4.39Å; A176-V251 HydrophobicContact CB-CB 4.49Å; A176-V251 HydrophobicContact CB-CG2 3.8Å; R182-V251 PolarHBondContact O-N 3.17Å; R182-V251 VanDerWaalsContact O-N 3.07Å; I183-V251 CarbonylContact C-O 3.54Å; I183-V251 WeakPolarHBondContact CA-O 3.18Å; I183-V251 HydrophobicContact CG1-CB 4.46Å; V184-V251 PolarHBondContact N-O 2.96Å; V251-V253 HydrophobicContact CG1-CG2 4.36Å; V251-I260 HydrophobicContact CG1-CG2 3.65Å; V251-T261 WeakPolarHBondContact CA-O 3.4Å; V251-M270 HydrophobicContact CG2-CE 3.91Å |
| 252 | F | 98.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.2 | 173.3 | 176.8 | -111.1 | 0 | 0 | 0 | 109.7 | V184 Y186 V242 Y249 N254 I260 T261 | V184-F252 HydrophobicContact CB-CD2 4.21Å; V184-F252 HydrophobicContact CG1-CD2 3.73Å; V184-F252 HydrophobicContact CG1-CE2 4.02Å; V184-F252 CarbonylContact O-C 3.6Å; V184-F252 WeakPolarHBondContact O-CA 3.31Å; Y186-F252 HydrophobicContact CG-CZ 4.45Å; V242-F252 HydrophobicContact CG1-CE2 3.8Å; Y249-F252 HydrophobicContact CD1-CB 4.35Å; Y249-F252 HydrophobicContact CD2-CB 3.63Å; Y249-F252 HydrophobicContact CE1-CB 4.18Å; Y249-F252 HydrophobicContact CE1-CD2 4.32Å; Y249-F252 HydrophobicContact CE1-CG 4.43Å; Y249-F252 HydrophobicContact CE2-CB 3.44Å; Y249-F252 VanDerWaalsContact CE2-CB 3.44Å; Y249-F252 HydrophobicContact CE2-CG 4.4Å; Y249-F252 HydrophobicContact CG-CB 4.1Å; F252-N254 HydrophobicContact CE1-CB 3.87Å; F252-N254 HydrophobicContact CZ-CB 4.32Å; F252-I260 WeakPolarHBondContact O-CA 3.31Å; F252-T261 PolarHBondContact N-O 2.86Å; F252-T261 PolarHBondContact O-N 2.95Å |
| 253 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.1 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | F166 L173 I183 V184 V185 Y186 F196 V251 L255 E259 I260 | F166-V253 HydrophobicContact CE1-CG1 4.09Å; F166-V253 HydrophobicContact CE2-CG1 4.41Å; F166-V253 HydrophobicContact CZ-CG1 3.62Å; L173-V253 HydrophobicContact CD2-CG2 3.59Å; I183-V253 HydrophobicContact CG2-CG2 4.13Å; V184-V253 PolarHBondContact O-N 3.48Å; V185-V253 WeakPolarHBondContact CA-O 3.49Å; V185-V253 HydrophobicContact CG1-CB 4.41Å; V185-V253 HydrophobicContact CG2-CB 4.17Å; V185-V253 HydrophobicContact CG2-CG2 4.33Å; Y186-V253 PolarHBondContact N-O 3.34Å; F196-V253 HydrophobicContact CE1-CG1 4.02Å; F196-V253 HydrophobicContact CZ-CG1 4.09Å; V251-V253 HydrophobicContact CG1-CG2 4.36Å; V253-L255 PolarHBondContact O-N 3.48Å; V253-E259 WeakPolarHBondContact CA-O 3.34Å; V253-I260 HydrophobicContact CG1-CG1 4.33Å; V253-I260 HydrophobicContact CG2-CG1 4.37Å |
| 254 | N | 98.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 94.9 | 167.7 | -173.8 | -10.5 | 0 | 0 | 0 | 108.1 | F252 A256 E257 S258 E259 | F252-N254 HydrophobicContact CE1-CB 3.87Å; F252-N254 HydrophobicContact CZ-CB 4.32Å; N254-A256 PolarHBondContact O-N 2.93Å; N254-A256 PolarHBondContact OD1-N 2.96Å; N254-E257 HydrophobicContact CB-CB 4.47Å; N254-E257 VanDerWaalsContact ND2-CG 3.33Å; N254-E257 WeakPolarHBondContact ND2-CG 3.49Å; N254-E257 PolarHBondContact O-N 3.41Å; N254-E257 PolarHBondContact OD1-N 2.94Å; N254-S258 WeakPolarHBondContact O-CA 3.38Å; N254-S258 PolarHBondContact O-N 3.34Å; N254-E259 HydrophobicContact CB-CB 4.39Å; N254-E259 PolarHBondContact N-O 2.79Å; N254-E259 PolarHBondContact O-N 3.28Å |
| 255 | L | 97.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27.4 | -176 | -170.9 | 68.4 | 0 | 0 | 0 | 111.9 | Q165 F166 V185 Y186 H187 A192 F196 V253 E257 | Q165-L255 PolarHBondContact NE2-O 3.47Å; F166-L255 HydrophobicContact CE2-CD1 4.1Å; F166-L255 HydrophobicContact CZ-CD1 4.12Å; V185-L255 HydrophobicContact CG1-CB 4.39Å; Y186-L255 VanDerWaalsContact O-CB 3.28Å; Y186-L255 WeakPolarHBondContact O-CB 3.42Å; Y186-L255 PolarHBondContact O-N 3.18Å; H187-L255 HydrophobicContact CB-CB 4.02Å; H187-L255 HydrophobicContact CB-CD2 4.02Å; A192-L255 HydrophobicContact CB-CD2 4.01Å; F196-L255 HydrophobicContact CB-CD1 4.36Å; F196-L255 HydrophobicContact CB-CD2 3.87Å; F196-L255 HydrophobicContact CD1-CD1 4.41Å; F196-L255 HydrophobicContact CD2-CD1 3.51Å; F196-L255 HydrophobicContact CE2-CD1 3.8Å; F196-L255 HydrophobicContact CG-CD1 3.84Å; F196-L255 HydrophobicContact CG-CD2 4.19Å; F196-L255 HydrophobicContact CZ-CD1 4.34Å; V253-L255 PolarHBondContact O-N 3.48Å; L255-E257 VanDerWaalsContact C-N 3.35Å |
| 256 | A | 96.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 44 Ų | 44 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -37.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N254 | N254-A256 PolarHBondContact O-N 2.93Å; N254-A256 PolarHBondContact OD1-N 2.96Å |
| 257 | E | 97.3 | Very high | 96.8 | Very high | 137 Ų | 137 | 47 Ų | 47 | 64% | 0.64 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 0.3 | 179.8 | -58.3 | -56.9 | 142.7 | 0 | 0 | 113 | N254 L255 E259 | N254-E257 HydrophobicContact CB-CB 4.47Å; N254-E257 VanDerWaalsContact ND2-CG 3.33Å; N254-E257 WeakPolarHBondContact ND2-CG 3.49Å; N254-E257 PolarHBondContact O-N 3.41Å; N254-E257 PolarHBondContact OD1-N 2.94Å; L255-E257 VanDerWaalsContact C-N 3.35Å; E257-E259 HydrophobicContact CB-CB 4.45Å; E257-E259 PolarHBondContact O-N 2.96Å |
| 258 | S | 97.5 | Very high | 96.7 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.4 | -174.1 | -49 | 0 | 0 | 0 | 0 | 113.2 | Q165 F166 N254 | Q165-S258 WeakPolarHBondContact CG-OG 3.41Å; Q165-S258 PolarHBondContact NE2-OG 2.9Å; F166-S258 VanDerWaalsContact CE1-C 3.42Å; F166-S258 WeakPolarHBondContact CE1-O 3.31Å; N254-S258 WeakPolarHBondContact O-CA 3.38Å; N254-S258 PolarHBondContact O-N 3.34Å |
| 259 | E | 98.1 | Very high | 96.3 | Very high | 104 Ų | 104 | 51.1 Ų | 51.1 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.8 | -176.2 | -173.6 | -179.1 | -176.3 | 0 | 0 | 111.8 | V253 N254 E257 | V253-E259 WeakPolarHBondContact CA-O 3.34Å; N254-E259 HydrophobicContact CB-CB 4.39Å; N254-E259 PolarHBondContact N-O 2.79Å; N254-E259 PolarHBondContact O-N 3.28Å; E257-E259 HydrophobicContact CB-CB 4.45Å; E257-E259 PolarHBondContact O-N 2.96Å |
| 260 | I | 98.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.3 | 172.5 | -60.8 | 169.3 | 0 | 0 | 0 | 109.6 | F166 E169 I172 L173 V251 F252 V253 | F166-I260 HydrophobicContact CB-CD1 4.18Å; F166-I260 HydrophobicContact CD1-CD1 3.44Å; F166-I260 VanDerWaalsContact CD1-CD1 3.44Å; F166-I260 HydrophobicContact CD1-CG1 3.62Å; F166-I260 HydrophobicContact CE1-CD1 3.93Å; F166-I260 HydrophobicContact CE1-CG1 3.63Å; F166-I260 HydrophobicContact CG-CD1 3.85Å; F166-I260 HydrophobicContact CG-CG1 4.46Å; E169-I260 HydrophobicContact CB-CD1 3.98Å; I172-I260 HydrophobicContact CB-CG2 4.29Å; I172-I260 HydrophobicContact CD1-CG2 4.31Å; I172-I260 HydrophobicContact CG2-CG2 3.82Å; L173-I260 HydrophobicContact CD1-CD1 4.06Å; L173-I260 HydrophobicContact CD2-CD1 3.98Å; L173-I260 HydrophobicContact CD2-CG1 4.45Å; L173-I260 HydrophobicContact CG-CD1 3.83Å; V251-I260 HydrophobicContact CG1-CG2 3.65Å; F252-I260 WeakPolarHBondContact O-CA 3.31Å; V253-I260 HydrophobicContact CG1-CG1 4.33Å; V253-I260 HydrophobicContact CG2-CG1 4.37Å |
| 261 | T | 98.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.8 | 176.5 | -64 | 0 | 0 | 0 | 0 | 111.1 | V251 F252 | V251-T261 WeakPolarHBondContact CA-O 3.4Å; F252-T261 PolarHBondContact N-O 2.86Å; F252-T261 PolarHBondContact O-N 2.95Å |
| 262 | I | 98.3 | Very high | 95.4 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.195 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.6 | 172.9 | -57 | 171 | 0 | 0 | 0 | 109.1 | I172 A266 K267 M270 | I172-I262 HydrophobicContact CD1-CD1 4.44Å; I172-I262 HydrophobicContact CG2-CD1 3.85Å; I172-I262 HydrophobicContact CG2-CG1 3.93Å; I262-A266 HydrophobicContact CG2-CB 3.97Å; I262-K267 HydrophobicContact CG2-CG 4.08Å; I262-M270 HydrophobicContact CD1-CB 4.12Å; I262-M270 HydrophobicContact CG2-CB 4.03Å; I262-M270 HydrophobicContact CG2-CG 4.13Å |
| 263 | A | 97 | Very high | 95 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | trans | -60.7 | 145.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y249 D250 L265 A266 K267 | Y249-A263 HydrophobicContact CD2-CB 4.08Å; Y249-A263 HydrophobicContact CE2-CB 4.07Å; Y249-A263 WeakPolarHBondContact O-CB 3.25Å; D250-A263 PolarHBondContact O-N 2.83Å; A263-L265 VanDerWaalsContact C-N 3.26Å; A263-L265 PolarHBondContact O-N 3.11Å; A263-L265 VanDerWaalsContact O-N 3.14Å; A263-A266 PolarHBondContact O-N 3.07Å; A263-K267 PolarHBondContact O-N 2.94Å | ||
| 264 | P | 94.8 | Very high | 94.7 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -52.3 | -40.8 | -176.6 | -29 | 35.5 | 0 | 0 | 0 | 114.3 | A266 K267 | P264-A266 PolarHBondContact O-N 2.8Å; P264-K267 PolarHBondContact O-N 3.07Å |
| 265 | L | 92.4 | Very high | 94.3 | Very high | 163 Ų | 163 | 63.5 Ų | 63.5 | 85% | 0.853 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -68 | -21.9 | 179.8 | -63.7 | 175.8 | 0 | 0 | 0 | 113.5 | A263 | A263-L265 VanDerWaalsContact C-N 3.26Å; A263-L265 PolarHBondContact O-N 3.11Å; A263-L265 VanDerWaalsContact O-N 3.14Å |
| 266 | A | 94.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -94.7 | -13.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | D250 I262 A263 P264 E268 A269 M270 | D250-A266 HydrophobicContact CB-CB 3.66Å; I262-A266 HydrophobicContact CG2-CB 3.97Å; A263-A266 PolarHBondContact O-N 3.07Å; P264-A266 PolarHBondContact O-N 2.8Å; A266-E268 VanDerWaalsContact C-N 3.31Å; A266-E268 PolarHBondContact O-N 2.8Å; A266-A269 PolarHBondContact O-N 2.95Å; A266-M270 HydrophobicContact CB-CG 4.2Å; A266-M270 VanDerWaalsContact O-CB 3.26Å; A266-M270 WeakPolarHBondContact O-CB 3.39Å; A266-M270 WeakPolarHBondContact O-CG 3.42Å; A266-M270 PolarHBondContact O-N 2.9Å |
| 267 | K | 92.6 | Very high | 94 | Very high | 130 Ų | 130 | 67.4 Ų | 67.4 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -40.6 | -172.3 | -75.4 | -175.1 | 176.7 | -177.8 | 0 | 113.8 | I262 A263 P264 M270 A271 | I262-K267 HydrophobicContact CG2-CG 4.08Å; A263-K267 PolarHBondContact O-N 2.94Å; P264-K267 PolarHBondContact O-N 3.07Å; K267-M270 CarbonylContact O-C 3.45Å; K267-M270 PolarHBondContact O-N 2.86Å; K267-A271 PolarHBondContact O-N 2.93Å; K267-A271 VanDerWaalsContact O-N 3.14Å |
| 268 | E | 90.4 | Very high | 93.9 | Very high | 144 Ų | 144 | 64.6 Ų | 64.6 | 67% | 0.673 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -47.8 | -179.7 | -174.7 | 179.1 | -179.6 | 0 | 0 | 112 | A266 M270 A271 | A266-E268 VanDerWaalsContact C-N 3.31Å; A266-E268 PolarHBondContact O-N 2.8Å; E268-M270 PolarHBondContact O-N 3.42Å; E268-A271 WeakPolarHBondContact O-CB 3.43Å; E268-A271 PolarHBondContact O-N 3.2Å |
| 269 | A | 88.5 | Confident | 93.9 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L179 A266 | L179-A269 VanDerWaalsContact CD1-O 3.29Å; L179-A269 WeakPolarHBondContact CD1-O 3.26Å; A266-A269 PolarHBondContact O-N 2.95Å |
| 270 | M | 93.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 17.1 | 179.1 | -63.5 | -67.2 | -65.7 | 0 | 0 | 112.7 | I172 T175 A176 L179 K181 V251 I262 A266 K267 E268 M272 | I172-M270 HydrophobicContact CG2-CE 3.88Å; I172-M270 WeakPolarHBondContact O-CE 3.13Å; T175-M270 HydrophobicContact CG2-CE 4.22Å; T175-M270 HydrophobicContact CG2-SD 4.2Å; A176-M270 HydrophobicContact CB-CE 3.77Å; A176-M270 HydrophobicContact CB-SD 4.34Å; L179-M270 HydrophobicContact CD1-SD 4.1Å; K181-M270 HydrophobicContact CG-SD 4.04Å; V251-M270 HydrophobicContact CG2-CE 3.91Å; I262-M270 HydrophobicContact CD1-CB 4.12Å; I262-M270 HydrophobicContact CG2-CB 4.03Å; I262-M270 HydrophobicContact CG2-CG 4.13Å; A266-M270 HydrophobicContact CB-CG 4.2Å; A266-M270 VanDerWaalsContact O-CB 3.26Å; A266-M270 WeakPolarHBondContact O-CB 3.39Å; A266-M270 WeakPolarHBondContact O-CG 3.42Å; A266-M270 PolarHBondContact O-N 2.9Å; K267-M270 CarbonylContact O-C 3.45Å; K267-M270 PolarHBondContact O-N 2.86Å; E268-M270 PolarHBondContact O-N 3.42Å; M270-M272 HydrophobicContact CE-CE 4.36Å; M270-M272 WeakPolarHBondContact O-CE 3.48Å; M270-M272 PolarHBondContact O-N 2.79Å |
| 271 | A | 91.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 60.8 Ų | 60.8 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | trans | -64.7 | 120.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K267 E268 A340 | K267-A271 PolarHBondContact O-N 2.93Å; K267-A271 VanDerWaalsContact O-N 3.14Å; E268-A271 WeakPolarHBondContact O-CB 3.43Å; E268-A271 PolarHBondContact O-N 3.2Å; A271-A340 HydrophobicContact CB-CB 4.41Å | ||
| 272 | M | 90.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | trans | -77 | 147.5 | -179 | -63.3 | -66 | 131.4 | 0 | 0 | 111.2 | V171 T175 M270 H276 | V171-M272 HydrophobicContact CG1-SD 4.05Å; T175-M272 HydrophobicContact CG2-CE 3.84Å; M270-M272 HydrophobicContact CE-CE 4.36Å; M270-M272 WeakPolarHBondContact O-CE 3.48Å; M270-M272 PolarHBondContact O-N 2.79Å; M272-H276 HydrophobicContact CB-CB 4.45Å; M272-H276 HydrophobicContact SD-CB 3.58Å; M272-H276 VanDerWaalsContact SD-CB 3.58Å | ||
| 273 | G | 90.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | trans | -147.5 | -174.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L275 H276 K277 | G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 2.83Å; G273-H276 PolarHBondContact N-ND1 3.32Å; G273-H276 PolarHBondContact O-N 2.8Å; G273-H276 VanDerWaalsContact O-N 3.15Å; G273-K277 PolarHBondContact O-N 3Å | ||
| 274 | K | 91.3 | Very high | 93.9 | Very high | 157 Ų | 157 | 59.6 Ų | 59.6 | 68% | 0.683 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56 | -44.1 | -177.5 | -175.7 | 176.5 | 173.2 | -178.1 | 0 | 112.6 | H276 K277 E278 | K274-H276 PolarHBondContact O-N 2.83Å; K274-K277 PolarHBondContact O-N 3.42Å; K274-E278 WeakPolarHBondContact CE-OE1 3.4Å; K274-E278 WeakPolarHBondContact O-CG 3.17Å; K274-E278 PolarHBondContact O-N 3.24Å |
| 275 | L | 90 | Very high | 94.1 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 178.6 | -176.5 | 154.8 | 0 | 0 | 0 | 112 | G273 E278 M279 I308 F344 | G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 2.83Å; L275-E278 PolarHBondContact O-N 2.71Å; L275-M279 WeakPolarHBondContact O-CB 3.5Å; L275-M279 PolarHBondContact O-N 2.94Å; L275-I308 HydrophobicContact CD1-CG1 4.3Å; L275-I308 HydrophobicContact CD1-CG2 4.47Å; L275-I308 HydrophobicContact CD2-CD1 3.75Å; L275-I308 HydrophobicContact CD2-CG1 4.17Å; L275-I308 HydrophobicContact CG-CG1 4.47Å; L275-F344 HydrophobicContact CD2-CD1 4.33Å; L275-F344 HydrophobicContact CD2-CE1 3.91Å |
| 276 | H | 93.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.8 | -54.9 | 103.1 | 0 | 0 | 0 | 111.1 | V171 T175 M272 G273 K274 E278 M279 G280 F344 | V171-H276 HydrophobicContact CG2-CB 4.26Å; V171-H276 VanDerWaalsContact CG2-O 3.31Å; V171-H276 WeakPolarHBondContact CG2-O 3.36Å; T175-H276 PolarHBondContact OG1-CD2 3.46Å; M272-H276 HydrophobicContact CB-CB 4.45Å; M272-H276 HydrophobicContact SD-CB 3.58Å; M272-H276 VanDerWaalsContact SD-CB 3.58Å; G273-H276 PolarHBondContact N-ND1 3.32Å; G273-H276 PolarHBondContact O-N 2.8Å; G273-H276 VanDerWaalsContact O-N 3.15Å; K274-H276 PolarHBondContact O-N 2.83Å; H276-E278 VanDerWaalsContact C-N 3.34Å; H276-E278 PolarHBondContact O-N 2.8Å; H276-M279 WeakPolarHBondContact O-CB 3.47Å; H276-M279 PolarHBondContact O-N 2.95Å; H276-G280 PolarHBondContact O-N 3.47Å; H276-F344 AromaticContact CE1-CD2 3.89Å; H276-F344 AromaticContact CE1-CG 3.7Å; H276-F344 AromaticContact NE2-CD2 3.19Å; H276-F344 WeakPolarHBondContact NE2-CD2 3.43Å; H276-F344 AromaticContact NE2-CE2 3.62Å; H276-F344 AromaticContact NE2-CG 3.41Å; H276-F344 WeakPolarHBondContact NE2-CG 3.44Å |
| 277 | K | 95.2 | Very high | 94.5 | Very high | 133 Ų | 133 | 54 Ų | 54 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 177.3 | -170.5 | 179 | -179.9 | 178.3 | 0 | 112.1 | G273 K274 G280 Q281 | G273-K277 PolarHBondContact O-N 3Å; K274-K277 PolarHBondContact O-N 3.42Å; K277-G280 PolarHBondContact O-N 3.38Å; K277-Q281 WeakPolarHBondContact O-CB 3.34Å; K277-Q281 VanDerWaalsContact O-CG 3.29Å; K277-Q281 WeakPolarHBondContact O-CG 3.16Å; K277-Q281 PolarHBondContact O-N 2.94Å |
| 278 | E | 95.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 54.7 Ų | 54.7 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.8 | -71.3 | 171.9 | -174.5 | 0 | 0 | 111.9 | K274 L275 H276 Q281 L282 | K274-E278 WeakPolarHBondContact CE-OE1 3.4Å; K274-E278 WeakPolarHBondContact O-CG 3.17Å; K274-E278 PolarHBondContact O-N 3.24Å; L275-E278 PolarHBondContact O-N 2.71Å; H276-E278 VanDerWaalsContact C-N 3.34Å; H276-E278 PolarHBondContact O-N 2.8Å; E278-Q281 PolarHBondContact O-N 3.41Å; E278-L282 PolarHBondContact O-N 2.97Å |
| 279 | M | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.4 | -174.6 | 64.3 | -172.7 | 0 | 0 | 111.8 | V171 H174 L275 H276 Q281 L282 I283 I301 K304 | V171-M279 HydrophobicContact CG2-CB 4.29Å; V171-M279 HydrophobicContact CG2-CG 4.43Å; H174-M279 VanDerWaalsContact NE2-CE 3.29Å; H174-M279 WeakPolarHBondContact NE2-CE 3.36Å; L275-M279 WeakPolarHBondContact O-CB 3.5Å; L275-M279 PolarHBondContact O-N 2.94Å; H276-M279 WeakPolarHBondContact O-CB 3.47Å; H276-M279 PolarHBondContact O-N 2.95Å; M279-Q281 PolarHBondContact O-N 3.18Å; M279-L282 WeakPolarHBondContact O-CB 3.23Å; M279-L282 PolarHBondContact O-N 3.17Å; M279-L282 HydrophobicContact SD-CD2 4.33Å; M279-I283 HydrophobicContact CE-CD1 4.07Å; M279-I283 HydrophobicContact CE-CG1 4.16Å; M279-I283 HydrophobicContact CG-CD1 4.07Å; M279-I283 VanDerWaalsContact O-CG1 3.32Å; M279-I283 WeakPolarHBondContact O-CG1 3.44Å; M279-I283 PolarHBondContact O-N 3.42Å; M279-I301 HydrophobicContact CE-CB 4.08Å; M279-I301 HydrophobicContact CE-CG1 4.24Å; M279-I301 HydrophobicContact CE-CG2 3.54Å; M279-K304 HydrophobicContact CE-CB 4.45Å; M279-K304 HydrophobicContact SD-CB 3.83Å; M279-K304 HydrophobicContact SD-CG 3.47Å; M279-K304 WeakPolarHBondContact SD-CG 3.33Å |
| 280 | G | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M168 H276 K277 L282 I283 V284 | M168-G280 WeakPolarHBondContact SD-CA 3.23Å; H276-G280 PolarHBondContact O-N 3.47Å; K277-G280 PolarHBondContact O-N 3.38Å; G280-L282 VanDerWaalsContact C-N 3.34Å; G280-L282 PolarHBondContact O-N 3.13Å; G280-I283 PolarHBondContact O-N 2.94Å; G280-V284 WeakPolarHBondContact O-CG2 3.23Å; G280-V284 PolarHBondContact O-N 3.42Å |
| 281 | Q | 98.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 62.4 Ų | 62.4 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 173 | -76 | 175.8 | -27.3 | 0 | 0 | 111.9 | K277 E278 M279 V284 Q285 | K277-Q281 WeakPolarHBondContact O-CB 3.34Å; K277-Q281 VanDerWaalsContact O-CG 3.29Å; K277-Q281 WeakPolarHBondContact O-CG 3.16Å; K277-Q281 PolarHBondContact O-N 2.94Å; E278-Q281 PolarHBondContact O-N 3.41Å; M279-Q281 PolarHBondContact O-N 3.18Å; Q281-V284 PolarHBondContact O-N 2.85Å; Q281-Q285 VanDerWaalsContact O-CB 3.27Å; Q281-Q285 WeakPolarHBondContact O-CB 3.34Å; Q281-Q285 WeakPolarHBondContact O-CG 3.49Å; Q281-Q285 PolarHBondContact O-N 3.48Å |
| 282 | L | 98.3 | Very high | 95.8 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.9 | 178.4 | 119.1 | 0 | 0 | 0 | 111.9 | E278 M279 G280 V284 S286 D300 K304 | E278-L282 PolarHBondContact O-N 2.97Å; M279-L282 WeakPolarHBondContact O-CB 3.23Å; M279-L282 PolarHBondContact O-N 3.17Å; M279-L282 HydrophobicContact SD-CD2 4.33Å; G280-L282 VanDerWaalsContact C-N 3.34Å; G280-L282 PolarHBondContact O-N 3.13Å; L282-V284 PolarHBondContact O-N 2.8Å; L282-S286 VanDerWaalsContact O-CB 3.25Å; L282-S286 WeakPolarHBondContact O-CB 3.26Å; L282-S286 PolarHBondContact O-N 2.87Å; L282-D300 HydrophobicContact CD2-CB 4.48Å; L282-K304 HydrophobicContact CD1-CB 4.49Å; L282-K304 HydrophobicContact CD2-CB 3.73Å; L282-K304 HydrophobicContact CD2-CG 4.1Å |
| 283 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.8 | -51.9 | 177.5 | -70.1 | 164.4 | 0 | 0 | 0 | 110.2 | V163 T170 H174 M279 G280 S286 A287 I301 | V163-I283 HydrophobicContact CG1-CG2 4.26Å; V163-I283 HydrophobicContact CG2-CG2 3.5Å; V163-I283 VanDerWaalsContact CG2-CG2 3.5Å; T170-I283 HydrophobicContact CG2-CG2 4.02Å; H174-I283 HydrophobicContact CB-CD1 4.19Å; M279-I283 HydrophobicContact CE-CD1 4.07Å; M279-I283 HydrophobicContact CE-CG1 4.16Å; M279-I283 HydrophobicContact CG-CD1 4.07Å; M279-I283 VanDerWaalsContact O-CG1 3.32Å; M279-I283 WeakPolarHBondContact O-CG1 3.44Å; M279-I283 PolarHBondContact O-N 3.42Å; G280-I283 PolarHBondContact O-N 2.94Å; I283-S286 PolarHBondContact O-N 3.3Å; I283-A287 WeakPolarHBondContact O-CB 3.48Å; I283-A287 PolarHBondContact O-N 3.46Å; I283-I301 HydrophobicContact CG1-CD1 3.87Å; I283-I301 HydrophobicContact CG1-CG1 3.82Å; I283-I301 HydrophobicContact CG2-CD1 4.45Å |
| 284 | V | 98.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -50.9 | -178.6 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | V163 G280 Q281 L282 S286 A287 E288 | V163-V284 HydrophobicContact CG1-CB 4.44Å; V163-V284 HydrophobicContact CG1-CG2 4.03Å; G280-V284 WeakPolarHBondContact O-CG2 3.23Å; G280-V284 PolarHBondContact O-N 3.42Å; Q281-V284 PolarHBondContact O-N 2.85Å; L282-V284 PolarHBondContact O-N 2.8Å; V284-S286 VanDerWaalsContact C-N 3.31Å; V284-S286 PolarHBondContact O-N 2.83Å; V284-A287 PolarHBondContact O-N 3.36Å; V284-E288 VanDerWaalsContact CG1-CD 3.48Å; V284-E288 HydrophobicContact CG1-CG 4.13Å; V284-E288 WeakPolarHBondContact CG1-OE1 3.29Å; V284-E288 WeakPolarHBondContact O-CB 3.02Å; V284-E288 WeakPolarHBondContact O-CG 3.37Å; V284-E288 PolarHBondContact O-N 2.83Å |
| 285 | Q | 98.1 | Very high | 96.7 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | -179.3 | -73 | 171.3 | 1.5 | 0 | 0 | 112.9 | Q281 D289 | Q281-Q285 VanDerWaalsContact O-CB 3.27Å; Q281-Q285 WeakPolarHBondContact O-CB 3.34Å; Q281-Q285 WeakPolarHBondContact O-CG 3.49Å; Q281-Q285 PolarHBondContact O-N 3.48Å; Q285-D289 PolarHBondContact O-N 3.08Å |
| 286 | S | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71 | -38.9 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | L282 I283 V284 K292 D300 | L282-S286 VanDerWaalsContact O-CB 3.25Å; L282-S286 WeakPolarHBondContact O-CB 3.26Å; L282-S286 PolarHBondContact O-N 2.87Å; I283-S286 PolarHBondContact O-N 3.3Å; V284-S286 VanDerWaalsContact C-N 3.31Å; V284-S286 PolarHBondContact O-N 2.83Å; S286-K292 WeakPolarHBondContact OG-CD 3.35Å; S286-K292 PolarHBondContact OG-NZ 3.1Å; S286-D300 PolarHBondContact OG-OD2 3.24Å |
| 287 | A | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.5 | -29.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K160 V163 I283 V284 D289 V297 | K160-A287 WeakPolarHBondContact CE-O 3.23Å; K160-A287 HydrophobicContact CG-CB 4.37Å; V163-A287 HydrophobicContact CB-CB 3.67Å; V163-A287 HydrophobicContact CG1-CB 3.67Å; V163-A287 HydrophobicContact CG2-CB 3.8Å; I283-A287 WeakPolarHBondContact O-CB 3.48Å; I283-A287 PolarHBondContact O-N 3.46Å; V284-A287 PolarHBondContact O-N 3.36Å; A287-D289 VanDerWaalsContact C-N 3.26Å; A287-D289 PolarHBondContact O-N 2.79Å; A287-V297 HydrophobicContact CB-CG1 4.32Å |
| 288 | E | 97.1 | Very high | 97.4 | Very high | 145 Ų | 145 | 54.8 Ų | 54.8 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -75.4 | -16.1 | 176.2 | -73.4 | 177.7 | 166 | 0 | 0 | 112.8 | V284 P290 | V284-E288 VanDerWaalsContact CG1-CD 3.48Å; V284-E288 HydrophobicContact CG1-CG 4.13Å; V284-E288 WeakPolarHBondContact CG1-OE1 3.29Å; V284-E288 WeakPolarHBondContact O-CB 3.02Å; V284-E288 WeakPolarHBondContact O-CG 3.37Å; V284-E288 PolarHBondContact O-N 2.83Å; E288-P290 VanDerWaalsContact O-CD 3.29Å; E288-P290 WeakPolarHBondContact O-CD 3.45Å |
| 289 | D | 97.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | trans | -67.6 | 115.3 | 175.2 | -170.4 | -19.5 | 0 | 0 | 0 | 110.2 | K160 Q285 A287 E291 K292 | K160-D289 PolarHBondContact NZ-O 2.9Å; Q285-D289 PolarHBondContact O-N 3.08Å; A287-D289 VanDerWaalsContact C-N 3.26Å; A287-D289 PolarHBondContact O-N 2.79Å; D289-E291 PolarHBondContact O-N 3.17Å; D289-E291 WeakPolarHBondContact OD1-CB 3.11Å; D289-E291 PolarHBondContact OD1-N 2.8Å; D289-K292 HydrophobicContact CB-CB 4.15Å; D289-K292 HydrophobicContact CB-CD 3.98Å; D289-K292 HydrophobicContact CB-CG 3.97Å; D289-K292 PolarHBondContact O-N 2.94Å; D289-K292 WeakPolarHBondContact OD2-CE 3.16Å | ||
| 290 | P | 95.1 | Very high | 97.6 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 69% | 0.688 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.2 | -179 | 28.6 | -34.7 | 0 | 0 | 0 | 112.6 | E288 K292 | E288-P290 VanDerWaalsContact O-CD 3.29Å; E288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-K292 VanDerWaalsContact C-N 3.31Å |
| 291 | E | 97 | Very high | 97.6 | Very high | 162 Ų | 162 | 58.2 Ų | 58.2 | 76% | 0.757 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.5 | -179.6 | -59.8 | -60 | 129.4 | 0 | 0 | 112.4 | D289 | D289-E291 PolarHBondContact O-N 3.17Å; D289-E291 WeakPolarHBondContact OD1-CB 3.11Å; D289-E291 PolarHBondContact OD1-N 2.8Å |
| 292 | K | 97.4 | Very high | 97.5 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | trans | -92.6 | 129.5 | 178.1 | -70.3 | -174.2 | -174.7 | -178.1 | 0 | 112.4 | K160 S286 D289 P290 Q296 V297 D300 | K160-K292 PolarHBondContact NZ-O 3.5Å; S286-K292 WeakPolarHBondContact OG-CD 3.35Å; S286-K292 PolarHBondContact OG-NZ 3.1Å; D289-K292 HydrophobicContact CB-CB 4.15Å; D289-K292 HydrophobicContact CB-CD 3.98Å; D289-K292 HydrophobicContact CB-CG 3.97Å; D289-K292 PolarHBondContact O-N 2.94Å; D289-K292 WeakPolarHBondContact OD2-CE 3.16Å; P290-K292 VanDerWaalsContact C-N 3.31Å; K292-Q296 HydrophobicContact CB-CB 4.3Å; K292-Q296 HydrophobicContact CG-CB 4.38Å; K292-V297 HydrophobicContact CB-CG2 4.35Å; K292-D300 IonicContact NZ-OD2 3.12Å; K292-D300 PolarHBondContact NZ-OD2 3.07Å | ||
| 293 | S | 97.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | trans | -76.8 | 160.8 | 165.7 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | S295 Q296 V297 | S293-S295 PolarHBondContact O-N 3.34Å; S293-Q296 WeakPolarHBondContact O-CB 3.44Å; S293-Q296 PolarHBondContact O-N 3.15Å; S293-Q296 PolarHBondContact OG-N 2.46Å; S293-Q296 PolarHBondContact OG-OE1 2.87Å; S293-V297 PolarHBondContact O-N 3.18Å; S293-V297 VanDerWaalsContact O-N 3.08Å | ||
| 294 | D | 97.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -51.3 | -39.5 | 172.9 | -69.5 | -84.1 | 0 | 0 | 0 | 113.1 | S158 I159 K160 Q296 V297 I298 | S158-D294 WeakPolarHBondContact CA-OD1 3.45Å; I159-D294 PolarHBondContact N-OD1 2.96Å; K160-D294 WeakPolarHBondContact CG-OD1 3.28Å; K160-D294 PolarHBondContact N-OD1 2.58Å; D294-Q296 VanDerWaalsContact C-N 3.3Å; D294-Q296 PolarHBondContact O-N 2.78Å; D294-V297 PolarHBondContact O-N 2.89Å; D294-I298 WeakPolarHBondContact O-CB 3.41Å; D294-I298 WeakPolarHBondContact O-CD1 3.33Å; D294-I298 WeakPolarHBondContact O-CG1 3.39Å; D294-I298 PolarHBondContact O-N 2.67Å |
| 295 | S | 96.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 178.3 | -66 | 0 | 0 | 0 | 0 | 112.6 | S293 Q299 | S293-S295 PolarHBondContact O-N 3.34Å; S295-Q299 WeakPolarHBondContact O-CB 3.16Å; S295-Q299 PolarHBondContact O-N 3.43Å |
| 296 | Q | 97.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 58.6 Ų | 58.6 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 175.3 | -72.7 | 161.8 | -56.3 | 0 | 0 | 111.3 | K292 S293 D294 Q299 D300 | K292-Q296 HydrophobicContact CB-CB 4.3Å; K292-Q296 HydrophobicContact CG-CB 4.38Å; S293-Q296 WeakPolarHBondContact O-CB 3.44Å; S293-Q296 PolarHBondContact O-N 3.15Å; S293-Q296 PolarHBondContact OG-N 2.46Å; S293-Q296 PolarHBondContact OG-OE1 2.87Å; D294-Q296 VanDerWaalsContact C-N 3.3Å; D294-Q296 PolarHBondContact O-N 2.78Å; Q296-Q299 WeakPolarHBondContact O-CB 3.37Å; Q296-Q299 PolarHBondContact O-N 3.1Å; Q296-D300 PolarHBondContact O-N 3.05Å |
| 297 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | I159 K160 A287 K292 S293 D294 Q299 D300 I301 | I159-V297 HydrophobicContact CG2-CG1 3.98Å; K160-V297 HydrophobicContact CG-CG2 4.28Å; A287-V297 HydrophobicContact CB-CG1 4.32Å; K292-V297 HydrophobicContact CB-CG2 4.35Å; S293-V297 PolarHBondContact O-N 3.18Å; S293-V297 VanDerWaalsContact O-N 3.08Å; D294-V297 PolarHBondContact O-N 2.89Å; V297-Q299 VanDerWaalsContact C-N 3.27Å; V297-Q299 PolarHBondContact O-N 3.32Å; V297-D300 PolarHBondContact O-N 2.69Å; V297-I301 HydrophobicContact CG1-CD1 3.98Å; V297-I301 VanDerWaalsContact O-CG1 3.28Å; V297-I301 WeakPolarHBondContact O-CG1 3.48Å; V297-I301 PolarHBondContact O-N 3.24Å |
| 298 | I | 97.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 174.1 | -70.2 | 164 | 0 | 0 | 0 | 110.8 | L155 I159 A202 W205 D294 I301 A302 | L155-I298 HydrophobicContact CD2-CD1 3.45Å; L155-I298 VanDerWaalsContact CD2-CD1 3.45Å; I159-I298 HydrophobicContact CD1-CD1 3.98Å; I159-I298 HydrophobicContact CD1-CG1 3.32Å; I159-I298 HydrophobicContact CG1-CD1 4.37Å; I159-I298 HydrophobicContact CG1-CG1 4.12Å; A202-I298 HydrophobicContact CB-CD1 3.87Å; A202-I298 HydrophobicContact CB-CG1 4.17Å; W205-I298 HydrophobicContact CB-CG2 3.7Å; W205-I298 HydrophobicContact CD2-CG2 3.63Å; W205-I298 HydrophobicContact CE3-CG2 3.74Å; W205-I298 HydrophobicContact CG-CG2 3.61Å; D294-I298 WeakPolarHBondContact O-CB 3.41Å; D294-I298 WeakPolarHBondContact O-CD1 3.33Å; D294-I298 WeakPolarHBondContact O-CG1 3.39Å; D294-I298 PolarHBondContact O-N 2.67Å; I298-I301 PolarHBondContact O-N 2.92Å; I298-A302 VanDerWaalsContact O-CB 3.32Å; I298-A302 WeakPolarHBondContact O-CB 3.22Å; I298-A302 PolarHBondContact O-N 2.79Å |
| 299 | Q | 97.6 | Very high | 95.2 | Very high | 115 Ų | 115 | 58.3 Ų | 58.3 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 179 | -174.6 | 176.2 | 11 | 0 | 0 | 111.8 | S295 Q296 V297 I301 A302 L303 | S295-Q299 WeakPolarHBondContact O-CB 3.16Å; S295-Q299 PolarHBondContact O-N 3.43Å; Q296-Q299 WeakPolarHBondContact O-CB 3.37Å; Q296-Q299 PolarHBondContact O-N 3.1Å; V297-Q299 VanDerWaalsContact C-N 3.27Å; V297-Q299 PolarHBondContact O-N 3.32Å; Q299-I301 VanDerWaalsContact C-N 3.35Å; Q299-I301 PolarHBondContact O-N 3.3Å; Q299-A302 PolarHBondContact O-N 3.42Å; Q299-L303 HydrophobicContact CG-CD1 4.24Å; Q299-L303 HydrophobicContact CG-CG 4.45Å; Q299-L303 WeakPolarHBondContact O-CB 3.36Å; Q299-L303 VanDerWaalsContact O-CG 3.24Å; Q299-L303 WeakPolarHBondContact O-CG 3.43Å; Q299-L303 PolarHBondContact O-N 3.24Å |
| 300 | D | 97.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 177.4 | -71.8 | -15.7 | 0 | 0 | 0 | 111.5 | L282 S286 K292 Q296 V297 A302 L303 K304 | L282-D300 HydrophobicContact CD2-CB 4.48Å; S286-D300 PolarHBondContact OG-OD2 3.24Å; K292-D300 IonicContact NZ-OD2 3.12Å; K292-D300 PolarHBondContact NZ-OD2 3.07Å; Q296-D300 PolarHBondContact O-N 3.05Å; V297-D300 PolarHBondContact O-N 2.69Å; D300-A302 VanDerWaalsContact C-N 3.34Å; D300-A302 PolarHBondContact O-N 3.05Å; D300-L303 PolarHBondContact O-N 2.79Å; D300-K304 PolarHBondContact O-N 3.11Å |
| 301 | I | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 175 | -70 | 173 | 0 | 0 | 0 | 110.6 | L203 M279 I283 V297 I298 Q299 K304 T305 | L203-I301 HydrophobicContact CD2-CD1 3.96Å; L203-I301 WeakPolarHBondContact O-CG2 3.31Å; M279-I301 HydrophobicContact CE-CB 4.08Å; M279-I301 HydrophobicContact CE-CG1 4.24Å; M279-I301 HydrophobicContact CE-CG2 3.54Å; I283-I301 HydrophobicContact CG1-CD1 3.87Å; I283-I301 HydrophobicContact CG1-CG1 3.82Å; I283-I301 HydrophobicContact CG2-CD1 4.45Å; V297-I301 HydrophobicContact CG1-CD1 3.98Å; V297-I301 VanDerWaalsContact O-CG1 3.28Å; V297-I301 WeakPolarHBondContact O-CG1 3.48Å; V297-I301 PolarHBondContact O-N 3.24Å; I298-I301 PolarHBondContact O-N 2.92Å; Q299-I301 VanDerWaalsContact C-N 3.35Å; Q299-I301 PolarHBondContact O-N 3.3Å; I301-K304 PolarHBondContact O-N 3.01Å; I301-T305 WeakPolarHBondContact O-CB 3.38Å; I301-T305 PolarHBondContact O-N 2.99Å; I301-T305 PolarHBondContact O-OG1 2.99Å |
| 302 | A | 96.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W205 I298 Q299 D300 T305 R306 | W205-A302 HydrophobicContact CB-CB 4.17Å; I298-A302 VanDerWaalsContact O-CB 3.32Å; I298-A302 WeakPolarHBondContact O-CB 3.22Å; I298-A302 PolarHBondContact O-N 2.79Å; Q299-A302 PolarHBondContact O-N 3.42Å; D300-A302 VanDerWaalsContact C-N 3.34Å; D300-A302 PolarHBondContact O-N 3.05Å; A302-T305 PolarHBondContact O-N 2.84Å; A302-R306 WeakPolarHBondContact O-CB 3.48Å; A302-R306 PolarHBondContact O-N 2.82Å |
| 303 | L | 96.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 175 | -71.5 | 172.8 | 0 | 0 | 0 | 110.8 | Q299 D300 T305 R306 E307 | Q299-L303 HydrophobicContact CG-CD1 4.24Å; Q299-L303 HydrophobicContact CG-CG 4.45Å; Q299-L303 WeakPolarHBondContact O-CB 3.36Å; Q299-L303 VanDerWaalsContact O-CG 3.24Å; Q299-L303 WeakPolarHBondContact O-CG 3.43Å; Q299-L303 PolarHBondContact O-N 3.24Å; D300-L303 PolarHBondContact O-N 2.79Å; L303-T305 VanDerWaalsContact C-N 3.34Å; L303-T305 PolarHBondContact O-N 2.9Å; L303-R306 WeakPolarHBondContact O-CB 3.41Å; L303-R306 PolarHBondContact O-N 2.73Å; L303-E307 PolarHBondContact O-N 2.76Å; L303-E307 VanDerWaalsContact O-N 3.14Å |
| 304 | K | 95.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 178 | -168.1 | 59.8 | 173.9 | 178.7 | 0 | 112.4 | M279 L282 D300 I301 R306 E307 I308 | M279-K304 HydrophobicContact CE-CB 4.45Å; M279-K304 HydrophobicContact SD-CB 3.83Å; M279-K304 HydrophobicContact SD-CG 3.47Å; M279-K304 WeakPolarHBondContact SD-CG 3.33Å; L282-K304 HydrophobicContact CD1-CB 4.49Å; L282-K304 HydrophobicContact CD2-CB 3.73Å; L282-K304 HydrophobicContact CD2-CG 4.1Å; D300-K304 PolarHBondContact O-N 3.11Å; I301-K304 PolarHBondContact O-N 3.01Å; K304-R306 VanDerWaalsContact C-N 3.29Å; K304-R306 PolarHBondContact O-N 3.07Å; K304-E307 VanDerWaalsContact CD-OE2 3.26Å; K304-E307 WeakPolarHBondContact CD-OE2 3.49Å; K304-E307 IonicContact NZ-OE2 3Å; K304-E307 PolarHBondContact NZ-OE2 3.18Å; K304-E307 WeakPolarHBondContact O-CB 3.44Å; K304-E307 PolarHBondContact O-N 3.45Å; K304-E307 VanDerWaalsContact O-N 3.14Å; K304-I308 PolarHBondContact O-N 3.37Å |
| 305 | T | 93.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | H174 M178 I301 A302 L303 E307 I308 F309 | H174-T305 PolarHBondContact NE2-OG1 3.36Å; M178-T305 HydrophobicContact CE-CG2 3.66Å; M178-T305 HydrophobicContact SD-CG2 3.72Å; I301-T305 WeakPolarHBondContact O-CB 3.38Å; I301-T305 PolarHBondContact O-N 2.99Å; I301-T305 PolarHBondContact O-OG1 2.99Å; A302-T305 PolarHBondContact O-N 2.84Å; L303-T305 VanDerWaalsContact C-N 3.34Å; L303-T305 PolarHBondContact O-N 2.9Å; T305-E307 VanDerWaalsContact C-N 3.32Å; T305-E307 PolarHBondContact O-N 3.15Å; T305-I308 WeakPolarHBondContact O-CB 3.44Å; T305-I308 PolarHBondContact O-N 3.06Å; T305-I308 VanDerWaalsContact O-N 3.17Å; T305-F309 HydrophobicContact CG2-CD2 3.99Å; T305-F309 HydrophobicContact CG2-CE2 3.58Å; T305-F309 VanDerWaalsContact O-CD2 3.27Å; T305-F309 WeakPolarHBondContact O-CD2 3.44Å; T305-F309 PolarHBondContact O-N 3.44Å; T305-F309 VanDerWaalsContact O-N 3.1Å |
| 306 | R | 91.1 | Very high | 87.7 | Confident | 159 Ų | 159 | 49.6 Ų | 49.6 | 60% | 0.6 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.7 | -32.9 | 175.6 | -173 | 178.9 | 61.1 | 172.4 | 2 | 112.7 | A302 L303 K304 I308 F309 T310 | A302-R306 WeakPolarHBondContact O-CB 3.48Å; A302-R306 PolarHBondContact O-N 2.82Å; L303-R306 WeakPolarHBondContact O-CB 3.41Å; L303-R306 PolarHBondContact O-N 2.73Å; K304-R306 VanDerWaalsContact C-N 3.29Å; K304-R306 PolarHBondContact O-N 3.07Å; R306-I308 VanDerWaalsContact C-N 3.34Å; R306-F309 PolarHBondContact O-N 2.86Å; R306-T310 WeakPolarHBondContact O-CB 3.42Å; R306-T310 PolarHBondContact O-N 3.39Å; R306-T310 PolarHBondContact O-OG1 3.05Å |
| 307 | E | 90.1 | Very high | 86.3 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 171.5 | -66.3 | 175.4 | -168.1 | 0 | 0 | 111.4 | L303 K304 T305 F309 T310 N311 | L303-E307 PolarHBondContact O-N 2.76Å; L303-E307 VanDerWaalsContact O-N 3.14Å; K304-E307 VanDerWaalsContact CD-OE2 3.26Å; K304-E307 WeakPolarHBondContact CD-OE2 3.49Å; K304-E307 IonicContact NZ-OE2 3Å; K304-E307 PolarHBondContact NZ-OE2 3.18Å; K304-E307 WeakPolarHBondContact O-CB 3.44Å; K304-E307 PolarHBondContact O-N 3.45Å; K304-E307 VanDerWaalsContact O-N 3.14Å; T305-E307 VanDerWaalsContact C-N 3.32Å; T305-E307 PolarHBondContact O-N 3.15Å; E307-F309 VanDerWaalsContact C-N 3.34Å; E307-F309 PolarHBondContact O-N 3.35Å; E307-T310 WeakPolarHBondContact O-CB 3.29Å; E307-T310 PolarHBondContact O-N 3.22Å; E307-T310 VanDerWaalsContact O-N 3.16Å; E307-N311 PolarHBondContact O-N 3.42Å; E307-N311 PolarHBondContact O-ND2 3.03Å |
| 308 | I | 87.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.2 | -61.8 | 167.2 | 0 | 0 | 0 | 110.4 | L275 K304 T305 R306 T310 N311 L312 F344 L345 L348 | L275-I308 HydrophobicContact CD1-CG1 4.3Å; L275-I308 HydrophobicContact CD1-CG2 4.47Å; L275-I308 HydrophobicContact CD2-CD1 3.75Å; L275-I308 HydrophobicContact CD2-CG1 4.17Å; L275-I308 HydrophobicContact CG-CG1 4.47Å; K304-I308 PolarHBondContact O-N 3.37Å; T305-I308 WeakPolarHBondContact O-CB 3.44Å; T305-I308 PolarHBondContact O-N 3.06Å; T305-I308 VanDerWaalsContact O-N 3.17Å; R306-I308 VanDerWaalsContact C-N 3.34Å; I308-T310 VanDerWaalsContact C-N 3.32Å; I308-T310 PolarHBondContact O-N 2.94Å; I308-N311 WeakPolarHBondContact O-CB 3.5Å; I308-N311 PolarHBondContact O-N 3.28Å; I308-L312 PolarHBondContact O-N 3.44Å; I308-F344 HydrophobicContact CG2-CE1 4Å; I308-L345 HydrophobicContact CG2-CD2 4.47Å; I308-L348 HydrophobicContact CG2-CD2 3.87Å |
| 309 | F | 83.5 | Confident | 82.8 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 21% | 0.211 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 175.3 | -72.6 | -57.9 | 0 | 0 | 0 | 113.3 | M178 H206 T305 R306 E307 N311 L312 A313 L348 E352 | M178-F309 HydrophobicContact CE-CE1 4.47Å; M178-F309 HydrophobicContact CE-CE2 4.08Å; M178-F309 HydrophobicContact CE-CZ 3.81Å; H206-F309 AromaticContact CD2-CE2 3.68Å; H206-F309 AromaticContact CE1-CE2 3.92Å; H206-F309 AromaticContact NE2-CE2 3.54Å; H206-F309 AromaticContact NE2-CZ 3.62Å; T305-F309 HydrophobicContact CG2-CD2 3.99Å; T305-F309 HydrophobicContact CG2-CE2 3.58Å; T305-F309 VanDerWaalsContact O-CD2 3.27Å; T305-F309 WeakPolarHBondContact O-CD2 3.44Å; T305-F309 PolarHBondContact O-N 3.44Å; T305-F309 VanDerWaalsContact O-N 3.1Å; R306-F309 PolarHBondContact O-N 2.86Å; E307-F309 VanDerWaalsContact C-N 3.34Å; E307-F309 PolarHBondContact O-N 3.35Å; F309-N311 VanDerWaalsContact C-N 3.27Å; F309-N311 PolarHBondContact O-N 3.31Å; F309-L312 HydrophobicContact CD1-CD1 4.21Å; F309-L312 WeakPolarHBondContact O-CB 3.5Å; F309-L312 PolarHBondContact O-N 2.94Å; F309-L312 VanDerWaalsContact O-N 3.1Å; F309-A313 PolarHBondContact O-N 3.4Å; F309-A313 VanDerWaalsContact O-N 3.09Å; F309-L348 HydrophobicContact CD1-CD2 4.48Å; F309-L348 HydrophobicContact CE1-CD1 3.96Å; F309-L348 HydrophobicContact CE1-CD2 4.02Å; F309-L348 HydrophobicContact CE1-CG 4.05Å; F309-L348 HydrophobicContact CZ-CD1 4.17Å; F309-E352 HydrophobicContact CE1-CG 3.74Å; F309-E352 HydrophobicContact CZ-CG 4.13Å |
| 310 | T | 81.7 | Confident | 80.9 | Confident | 87 Ų | 87 | 55 Ų | 55 | 53% | 0.534 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 174.8 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | R306 E307 I308 L312 A313 P314 | R306-T310 WeakPolarHBondContact O-CB 3.42Å; R306-T310 PolarHBondContact O-N 3.39Å; R306-T310 PolarHBondContact O-OG1 3.05Å; E307-T310 WeakPolarHBondContact O-CB 3.29Å; E307-T310 PolarHBondContact O-N 3.22Å; E307-T310 VanDerWaalsContact O-N 3.16Å; I308-T310 VanDerWaalsContact C-N 3.32Å; I308-T310 PolarHBondContact O-N 2.94Å; T310-L312 VanDerWaalsContact C-N 3.26Å; T310-L312 PolarHBondContact O-N 3.42Å; T310-A313 WeakPolarHBondContact O-CB 3.5Å; T310-A313 PolarHBondContact O-N 3.41Å; T310-P314 VanDerWaalsContact O-CD 3.25Å; T310-P314 WeakPolarHBondContact O-CD 3.47Å |
| 311 | N | 76.6 | Confident | 79 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.8 | -25.6 | 173.9 | -70.5 | -31.5 | 0 | 0 | 0 | 113.2 | E307 I308 F309 F315 | E307-N311 PolarHBondContact O-N 3.42Å; E307-N311 PolarHBondContact O-ND2 3.03Å; I308-N311 WeakPolarHBondContact O-CB 3.5Å; I308-N311 PolarHBondContact O-N 3.28Å; F309-N311 VanDerWaalsContact C-N 3.27Å; F309-N311 PolarHBondContact O-N 3.31Å; N311-F315 WeakPolarHBondContact O-CD2 3.39Å; N311-F315 WeakPolarHBondContact O-CE2 3.41Å |
| 312 | L | 74.9 | Confident | 77 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -78.5 | -29.8 | 173.4 | -80.1 | 170.2 | 0 | 0 | 0 | 112.9 | I308 F309 T310 P314 F315 L327 L332 L345 L348 | I308-L312 PolarHBondContact O-N 3.44Å; F309-L312 HydrophobicContact CD1-CD1 4.21Å; F309-L312 WeakPolarHBondContact O-CB 3.5Å; F309-L312 PolarHBondContact O-N 2.94Å; F309-L312 VanDerWaalsContact O-N 3.1Å; T310-L312 VanDerWaalsContact C-N 3.26Å; T310-L312 PolarHBondContact O-N 3.42Å; L312-P314 VanDerWaalsContact C-CD 3.45Å; L312-F315 PolarHBondContact O-N 3.25Å; L312-L327 HydrophobicContact CD2-CD1 3.93Å; L312-L332 HydrophobicContact CD2-CD1 4.49Å; L312-L345 HydrophobicContact CD1-CD2 4.15Å; L312-L345 HydrophobicContact CD2-CB 3.84Å; L312-L345 HydrophobicContact CD2-CD1 4.45Å; L312-L345 HydrophobicContact CD2-CD2 3.65Å; L312-L345 HydrophobicContact CD2-CG 4.16Å; L312-L345 HydrophobicContact CG-CD2 3.75Å; L312-L348 HydrophobicContact CD1-CD2 3.7Å; L312-L348 HydrophobicContact CD1-CG 4.03Å |
| 313 | A | 73.9 | Confident | 75 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 26% | 0.256 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -55 | -40.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F309 T310 F315 S316 | F309-A313 PolarHBondContact O-N 3.4Å; F309-A313 VanDerWaalsContact O-N 3.09Å; T310-A313 WeakPolarHBondContact O-CB 3.5Å; T310-A313 PolarHBondContact O-N 3.41Å; A313-F315 PolarHBondContact O-N 2.99Å; A313-S316 PolarHBondContact O-N 3.34Å; A313-S316 VanDerWaalsContact O-N 3.07Å; A313-S316 PolarHBondContact O-OG 3.26Å |
| 314 | P | 75.2 | Confident | 73.4 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 66% | 0.656 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -64.4 | -19.9 | 177.2 | -22.7 | 34 | 0 | 0 | 0 | 114.3 | T310 L312 S316 | T310-P314 VanDerWaalsContact O-CD 3.25Å; T310-P314 WeakPolarHBondContact O-CD 3.47Å; L312-P314 VanDerWaalsContact C-CD 3.45Å; P314-S316 VanDerWaalsContact C-N 3.34Å |
| 315 | F | 70.1 | Confident | 71.9 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 9% | 0.092 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -95.9 | 5.8 | 178.7 | -52.5 | -71.3 | 0 | 0 | 0 | 111.9 | N311 L312 A313 L327 N328 A331 L332 K335 F337 | N311-F315 WeakPolarHBondContact O-CD2 3.39Å; N311-F315 WeakPolarHBondContact O-CE2 3.41Å; L312-F315 PolarHBondContact O-N 3.25Å; A313-F315 PolarHBondContact O-N 2.99Å; F315-L327 HydrophobicContact CB-CD1 3.91Å; F315-L327 CarbonylContact O-C 3.4Å; F315-L327 WeakPolarHBondContact O-CA 3.39Å; F315-N328 PolarHBondContact O-N 2.88Å; F315-A331 HydrophobicContact CD1-CB 4.05Å; F315-L332 HydrophobicContact CB-CD1 4.35Å; F315-L332 HydrophobicContact CD2-CD1 4.19Å; F315-L332 HydrophobicContact CG-CD1 4.12Å; F315-K335 HydrophobicContact CE1-CB 4.35Å; F315-K335 HydrophobicContact CE1-CD 4.25Å; F315-K335 HydrophobicContact CE1-CG 4.42Å; F315-K335 HydrophobicContact CE2-CD 4.4Å; F315-K335 HydrophobicContact CZ-CB 4.45Å; F315-K335 HydrophobicContact CZ-CD 3.56Å; F315-K335 HydrophobicContact CZ-CG 4.2Å; F315-F337 HydrophobicContact CE2-CE2 4.2Å; F315-F337 HydrophobicContact CE2-CZ 4.21Å; F315-F337 HydrophobicContact CZ-CE2 4.21Å; F315-F337 HydrophobicContact CZ-CZ 4.34Å |
| 316 | S | 68.2 | Low | 70.9 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 14% | 0.14 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.8 | 179.9 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | A313 P314 V326 | A313-S316 PolarHBondContact O-N 3.34Å; A313-S316 VanDerWaalsContact O-N 3.07Å; A313-S316 PolarHBondContact O-OG 3.26Å; P314-S316 VanDerWaalsContact C-N 3.34Å; S316-V326 CarbonylContact C-O 3.45Å; S316-V326 VanDerWaalsContact CA-O 3.28Å; S316-V326 WeakPolarHBondContact CA-O 3.39Å |
| 317 | E | 67.3 | Low | 70.1 | Confident | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 145.2 | 172.7 | -69.5 | 166 | -168 | 0 | 0 | 109.2 | S319 R325 V326 N328 K356 | E317-S319 PolarHBondContact O-N 2.88Å; E317-R325 CarbonylContact O-C 3.52Å; E317-R325 WeakPolarHBondContact O-CA 3.41Å; E317-V326 PolarHBondContact N-O 2.99Å; E317-V326 PolarHBondContact O-N 3.02Å; E317-N328 PolarHBondContact OE1-ND2 3.41Å; E317-K356 IonicContact OE2-NZ 3.19Å; E317-K356 PolarHBondContact OE2-NZ 3.21Å |
| 318 | V | 62.2 | Low | 69.3 | Low | 100 Ų | 100 | 67.3 Ų | 67.3 | 61% | 0.606 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.1 | 169.4 | -176 | 0 | 0 | 0 | 0 | 107.7 | ||
| 319 | S | 62.6 | Low | 68.5 | Low | 23 Ų | 23 | 70.5 Ų | 70.5 | 16% | 0.161 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 154.4 | 175.4 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | E317 D321 G322 K324 | E317-S319 PolarHBondContact O-N 2.88Å; S319-D321 PolarHBondContact O-N 3.4Å; S319-G322 PolarHBondContact O-N 3.31Å; S319-K324 VanDerWaalsContact CB-O 3.29Å; S319-K324 WeakPolarHBondContact CB-O 3.07Å; S319-K324 PolarHBondContact N-O 3.08Å; S319-K324 PolarHBondContact OG-N 3.17Å; S319-K324 VanDerWaalsContact OG-N 3.1Å; S319-K324 PolarHBondContact OG-O 3.34Å; S319-K324 VanDerWaalsContact OG-O 3.09Å |
| 320 | A | 56.8 | Low | 67.9 | Low | 110 Ų | 110 | 74.9 Ų | 74.9 | 91% | 0.909 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G322 | A320-G322 VanDerWaalsContact C-N 3.34Š|
| 321 | D | 57.3 | Low | 67.4 | Low | 136 Ų | 136 | 72 Ų | 72 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -3.6 | -176.8 | -38.6 | 5.4 | 0 | 0 | 0 | 112.6 | S319 E323 | S319-D321 PolarHBondContact O-N 3.4Å; D321-E323 PolarHBondContact O-N 2.88Å; D321-E323 VanDerWaalsContact O-N 3.12Å |
| 322 | G | 56.5 | Low | 67.3 | Low | 55 Ų | 55 | 67.9 Ų | 67.9 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 76.2 | -14.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S319 A320 | S319-G322 PolarHBondContact O-N 3.31Å; A320-G322 VanDerWaalsContact C-N 3.34Å |
| 323 | E | 54.8 | Low | 67.3 | Low | 175 Ų | 175 | 74.2 Ų | 74.2 | 82% | 0.818 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -91 | -26 | -169.5 | -69.8 | -171.4 | 162.7 | 0 | 0 | 115.8 | D321 | D321-E323 PolarHBondContact O-N 2.88Å; D321-E323 VanDerWaalsContact O-N 3.12Å |
| 324 | K | 63.5 | Low | 67.3 | Low | 116 Ų | 116 | 80.1 Ų | 80.1 | 50% | 0.504 | 43% | 0.431 | S | S | . | . | trans | -127.6 | 142.6 | -172.3 | -71.1 | -175.4 | 177.6 | -176 | 0 | 112.9 | S319 | S319-K324 VanDerWaalsContact CB-O 3.29Å; S319-K324 WeakPolarHBondContact CB-O 3.07Å; S319-K324 PolarHBondContact N-O 3.08Å; S319-K324 PolarHBondContact OG-N 3.17Å; S319-K324 VanDerWaalsContact OG-N 3.1Å; S319-K324 PolarHBondContact OG-O 3.34Å; S319-K324 VanDerWaalsContact OG-O 3.09Å | ||
| 325 | R | 62.9 | Low | 67.3 | Low | 149 Ų | 149 | 80.8 Ų | 80.8 | 56% | 0.562 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.2 | 171.5 | -74.4 | -174 | -176.5 | 178.4 | 1.1 | 109.2 | E317 M354 | E317-R325 CarbonylContact O-C 3.52Å; E317-R325 WeakPolarHBondContact O-CA 3.41Å; R325-M354 HydrophobicContact CB-CE 4Å; R325-M354 WeakPolarHBondContact O-CA 3.14Å; R325-M354 WeakPolarHBondContact O-CB 3.42Å |
| 326 | V | 72.9 | Confident | 67.6 | Low | 16 Ų | 16 | 90.5 Ų | 90.5 | 10% | 0.097 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.2 | -179.5 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | S316 E317 N328 M354 K356 | S316-V326 CarbonylContact C-O 3.45Å; S316-V326 VanDerWaalsContact CA-O 3.28Å; S316-V326 WeakPolarHBondContact CA-O 3.39Å; E317-V326 PolarHBondContact N-O 2.99Å; E317-V326 PolarHBondContact O-N 3.02Å; V326-N328 PolarHBondContact O-N 3.15Å; V326-M354 CarbonylContact C-O 3.53Å; V326-M354 VanDerWaalsContact CA-O 3.29Å; V326-M354 WeakPolarHBondContact CA-O 3.47Å; V326-K356 HydrophobicContact CB-CG 4.34Å; V326-K356 HydrophobicContact CG1-CB 3.57Å; V326-K356 HydrophobicContact CG1-CD 3.77Å; V326-K356 HydrophobicContact CG1-CG 3.33Å |
| 327 | L | 74.2 | Confident | 68.1 | Low | 4 Ų | 4 | 91.8 Ų | 91.8 | 2% | 0.021 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.7 | 175.6 | -163.7 | 86.8 | 0 | 0 | 0 | 111.1 | L312 F315 L329 L332 A349 M354 L355 | L312-L327 HydrophobicContact CD2-CD1 3.93Å; F315-L327 HydrophobicContact CB-CD1 3.91Å; F315-L327 CarbonylContact O-C 3.4Å; F315-L327 WeakPolarHBondContact O-CA 3.39Å; L327-L329 HydrophobicContact CD2-CD2 3.85Å; L327-L332 HydrophobicContact CD1-CD1 4.46Å; L327-L332 HydrophobicContact CD2-CD2 4.49Å; L327-A349 HydrophobicContact CB-CB 4.14Å; L327-A349 HydrophobicContact CD1-CB 4.29Å; L327-A349 HydrophobicContact CD2-CB 3.75Å; L327-A349 HydrophobicContact CG-CB 4.28Å; L327-M354 WeakPolarHBondContact CB-O 3.45Å; L327-M354 PolarHBondContact N-O 2.66Å; L327-L355 HydrophobicContact CB-CD2 4.36Å; L327-L355 HydrophobicContact CD2-CD2 4.24Å |
| 328 | N | 73.6 | Confident | 68.9 | Low | 43 Ų | 43 | 91.6 Ų | 91.6 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | trans | -86.5 | 105.4 | 167.3 | -175 | -32.2 | 0 | 0 | 0 | 109.1 | F315 E317 V326 E330 A331 L332 | F315-N328 PolarHBondContact O-N 2.88Å; E317-N328 PolarHBondContact OE1-ND2 3.41Å; V326-N328 PolarHBondContact O-N 3.15Å; N328-E330 VanDerWaalsContact C-N 3.28Å; N328-E330 PolarHBondContact O-N 3.28Å; N328-E330 WeakPolarHBondContact OD1-CB 3.43Å; N328-E330 PolarHBondContact OD1-N 2.94Å; N328-E330 VanDerWaalsContact OD1-N 3.1Å; N328-A331 HydrophobicContact CB-CB 3.95Å; N328-A331 PolarHBondContact O-N 2.93Å; N328-A331 PolarHBondContact OD1-N 3.2Å; N328-A331 VanDerWaalsContact OD1-N 3.11Å; N328-L332 PolarHBondContact O-N 3.09Å; N328-L332 VanDerWaalsContact O-N 3.16Å | ||
| 329 | L | 70.1 | Confident | 69.9 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -31.9 | -177.2 | -68.1 | 171.8 | 0 | 0 | 0 | 113.2 | L327 L332 K333 Y346 L355 | L327-L329 HydrophobicContact CD2-CD2 3.85Å; L329-L332 PolarHBondContact O-N 3.43Å; L329-K333 WeakPolarHBondContact O-CG 3.5Å; L329-K333 PolarHBondContact O-N 2.86Å; L329-K333 VanDerWaalsContact O-N 3.12Å; L329-Y346 HydrophobicContact CD1-CE2 4.23Å; L329-Y346 HydrophobicContact CD2-CD2 3.36Å; L329-Y346 HydrophobicContact CD2-CE2 3.47Å; L329-Y346 VanDerWaalsContact CD2-CE2 3.47Å; L329-L355 HydrophobicContact CD2-CD2 4.22Å |
| 330 | E | 71 | Confident | 70.9 | Confident | 140 Ų | 140 | 91.6 Ų | 91.6 | 65% | 0.654 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.6 | -40.8 | 178.4 | -60.6 | -177.6 | 173.3 | 0 | 0 | 110.5 | N328 L332 K333 Q334 | N328-E330 VanDerWaalsContact C-N 3.28Å; N328-E330 PolarHBondContact O-N 3.28Å; N328-E330 WeakPolarHBondContact OD1-CB 3.43Å; N328-E330 PolarHBondContact OD1-N 2.94Å; N328-E330 VanDerWaalsContact OD1-N 3.1Å; E330-L332 VanDerWaalsContact C-N 3.33Å; E330-L332 PolarHBondContact O-N 2.9Å; E330-K333 PolarHBondContact O-N 3.43Å; E330-Q334 WeakPolarHBondContact O-CB 3.45Å; E330-Q334 VanDerWaalsContact O-CG 3.24Å; E330-Q334 WeakPolarHBondContact O-CG 3.37Å; E330-Q334 PolarHBondContact O-N 3.35Å |
| 331 | A | 71.8 | Confident | 72.1 | Confident | 27 Ų | 27 | 87 Ų | 87 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F315 N328 | F315-A331 HydrophobicContact CD1-CB 4.05Å; N328-A331 HydrophobicContact CB-CB 3.95Å; N328-A331 PolarHBondContact O-N 2.93Å; N328-A331 PolarHBondContact OD1-N 3.2Å; N328-A331 VanDerWaalsContact OD1-N 3.11Å |
| 332 | L | 74.4 | Confident | 73.4 | Confident | 3 Ų | 3 | 82.6 Ų | 82.6 | 2% | 0.016 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 175.1 | -163.8 | 90.8 | 0 | 0 | 0 | 111.2 | L312 F315 L327 N328 L329 E330 Q334 K335 F337 E342 L345 | L312-L332 HydrophobicContact CD2-CD1 4.49Å; F315-L332 HydrophobicContact CB-CD1 4.35Å; F315-L332 HydrophobicContact CD2-CD1 4.19Å; F315-L332 HydrophobicContact CG-CD1 4.12Å; L327-L332 HydrophobicContact CD1-CD1 4.46Å; L327-L332 HydrophobicContact CD2-CD2 4.49Å; N328-L332 PolarHBondContact O-N 3.09Å; N328-L332 VanDerWaalsContact O-N 3.16Å; L329-L332 PolarHBondContact O-N 3.43Å; E330-L332 VanDerWaalsContact C-N 3.33Å; E330-L332 PolarHBondContact O-N 2.9Å; L332-Q334 PolarHBondContact O-N 2.69Å; L332-K335 PolarHBondContact O-N 2.89Å; L332-F337 HydrophobicContact CD1-CE2 4.31Å; L332-E342 HydrophobicContact CD2-CG 3.75Å; L332-E342 HydrophobicContact CG-CG 4.47Å; L332-L345 HydrophobicContact CD1-CB 4.24Å; L332-L345 HydrophobicContact CD1-CD1 4.21Å; L332-L345 HydrophobicContact CD2-CB 4.46Å |
| 333 | K | 73.3 | Confident | 74.8 | Confident | 134 Ų | 134 | 82.4 Ų | 82.4 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.4 | -36.1 | 179.4 | -77.4 | 179.9 | 177.7 | -174.9 | 0 | 113.1 | L329 E330 K335 R336 E342 | L329-K333 WeakPolarHBondContact O-CG 3.5Å; L329-K333 PolarHBondContact O-N 2.86Å; L329-K333 VanDerWaalsContact O-N 3.12Å; E330-K333 PolarHBondContact O-N 3.43Å; K333-K335 PolarHBondContact O-N 3.39Å; K333-R336 PolarHBondContact O-N 3.31Å; K333-E342 VanDerWaalsContact CG-OE1 3.3Å; K333-E342 WeakPolarHBondContact CG-OE1 3.26Å |
| 334 | Q | 74 | Confident | 76.3 | Confident | 154 Ų | 154 | 74.2 Ų | 74.2 | 72% | 0.72 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.8 | -26.2 | 178.7 | -77.8 | 175.5 | 19.1 | 0 | 0 | 113.1 | E330 L332 R336 | E330-Q334 WeakPolarHBondContact O-CB 3.45Å; E330-Q334 VanDerWaalsContact O-CG 3.24Å; E330-Q334 WeakPolarHBondContact O-CG 3.37Å; E330-Q334 PolarHBondContact O-N 3.35Å; L332-Q334 PolarHBondContact O-N 2.69Å; Q334-R336 VanDerWaalsContact C-N 3.25Å; Q334-R336 PolarHBondContact O-N 2.83Å |
| 335 | K | 75.3 | Confident | 77.4 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.5 | -179.7 | -141.6 | -154.2 | -164.9 | 170.6 | 0 | 114.3 | F315 L332 K333 F337 | F315-K335 HydrophobicContact CE1-CB 4.35Å; F315-K335 HydrophobicContact CE1-CD 4.25Å; F315-K335 HydrophobicContact CE1-CG 4.42Å; F315-K335 HydrophobicContact CE2-CD 4.4Å; F315-K335 HydrophobicContact CZ-CB 4.45Å; F315-K335 HydrophobicContact CZ-CD 3.56Å; F315-K335 HydrophobicContact CZ-CG 4.2Å; L332-K335 PolarHBondContact O-N 2.89Å; K333-K335 PolarHBondContact O-N 3.39Å; K335-F337 HydrophobicContact CB-CD2 4.05Å; K335-F337 HydrophobicContact CB-CE2 3.92Å; K335-F337 HydrophobicContact CD-CD1 4.39Å; K335-F337 HydrophobicContact CD-CD2 4.13Å; K335-F337 HydrophobicContact CD-CE1 3.69Å; K335-F337 HydrophobicContact CD-CE2 3.38Å; K335-F337 HydrophobicContact CD-CZ 3.16Å; K335-F337 HydrophobicContact CG-CE2 4.29Å; K335-F337 HydrophobicContact CG-CZ 4.43Å; K335-F337 PolarHBondContact O-N 3.44Å |
| 336 | R | 76.1 | Confident | 78.4 | Confident | 225 Ų | 225 | 66.4 Ų | 66.4 | 85% | 0.849 | 32% | 0.324 | S | S | * | . | trans | 49.8 | 50.4 | 179.7 | -59.8 | -176.7 | 179.6 | -176.3 | -0.4 | 113.1 | K333 Q334 | K333-R336 PolarHBondContact O-N 3.31Å; Q334-R336 VanDerWaalsContact C-N 3.25Å; Q334-R336 PolarHBondContact O-N 2.83Å | ||
| 337 | F | 79.1 | Confident | 79.1 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | trans | -61.2 | 156 | 171.2 | -74.1 | -70.2 | 0 | 0 | 0 | 110.9 | F315 L332 K335 T341 E342 L345 | F315-F337 HydrophobicContact CE2-CE2 4.2Å; F315-F337 HydrophobicContact CE2-CZ 4.21Å; F315-F337 HydrophobicContact CZ-CE2 4.21Å; F315-F337 HydrophobicContact CZ-CZ 4.34Å; L332-F337 HydrophobicContact CD1-CE2 4.31Å; K335-F337 HydrophobicContact CB-CD2 4.05Å; K335-F337 HydrophobicContact CB-CE2 3.92Å; K335-F337 HydrophobicContact CD-CD1 4.39Å; K335-F337 HydrophobicContact CD-CD2 4.13Å; K335-F337 HydrophobicContact CD-CE1 3.69Å; K335-F337 HydrophobicContact CD-CE2 3.38Å; K335-F337 HydrophobicContact CD-CZ 3.16Å; K335-F337 HydrophobicContact CG-CE2 4.29Å; K335-F337 HydrophobicContact CG-CZ 4.43Å; K335-F337 PolarHBondContact O-N 3.44Å; F337-T341 HydrophobicContact CB-CG2 4.47Å; F337-T341 HydrophobicContact CD1-CG2 4.11Å; F337-T341 HydrophobicContact CG-CG2 4.41Å; F337-E342 HydrophobicContact CB-CB 4.19Å; F337-L345 HydrophobicContact CD2-CD1 4.31Å; F337-L345 HydrophobicContact CE2-CD1 4.01Å; F337-L345 HydrophobicContact CZ-CD1 4.15Å | ||
| 338 | P | 83.9 | Confident | 79.7 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | trans | -55.5 | 142.3 | 165.8 | -23.1 | 33.8 | 0 | 0 | 0 | 110.3 | A340 T341 E342 | P338-A340 VanDerWaalsContact C-N 3.29Å; P338-A340 PolarHBondContact O-N 3.17Å; P338-A340 VanDerWaalsContact O-N 3.13Å; P338-T341 WeakPolarHBondContact O-CB 3.39Å; P338-T341 PolarHBondContact O-N 3.31Å; P338-E342 PolarHBondContact O-N 2.88Å | ||
| 339 | P | 83.7 | Confident | 80.2 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 66% | 0.656 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -52.5 | -41.2 | -172.2 | -30 | 34.9 | 0 | 0 | 0 | 114.6 | T341 E342 N343 | P339-T341 VanDerWaalsContact C-N 3.35Å; P339-T341 PolarHBondContact O-N 3.33Å; P339-E342 PolarHBondContact O-N 3.23Å; P339-N343 WeakPolarHBondContact O-CB 3.43Å; P339-N343 PolarHBondContact O-N 3.13Å |
| 340 | A | 82.9 | Confident | 80.9 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A271 P338 F344 | A271-A340 HydrophobicContact CB-CB 4.41Å; P338-A340 VanDerWaalsContact C-N 3.29Å; P338-A340 PolarHBondContact O-N 3.17Å; P338-A340 VanDerWaalsContact O-N 3.13Å; A340-F344 VanDerWaalsContact O-CB 3.32Å; A340-F344 WeakPolarHBondContact O-CB 3.1Å; A340-F344 PolarHBondContact O-N 2.91Å |
| 341 | T | 83.6 | Confident | 81.6 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.3 | -42.7 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | F337 P338 P339 F344 L345 | F337-T341 HydrophobicContact CB-CG2 4.47Å; F337-T341 HydrophobicContact CD1-CG2 4.11Å; F337-T341 HydrophobicContact CG-CG2 4.41Å; P338-T341 WeakPolarHBondContact O-CB 3.39Å; P338-T341 PolarHBondContact O-N 3.31Å; P339-T341 VanDerWaalsContact C-N 3.35Å; P339-T341 PolarHBondContact O-N 3.33Å; T341-F344 PolarHBondContact O-N 3.39Å; T341-L345 HydrophobicContact CG2-CD1 3.99Å; T341-L345 HydrophobicContact CG2-CG 4.36Å; T341-L345 WeakPolarHBondContact O-CB 3.49Å; T341-L345 WeakPolarHBondContact O-CG 3.47Å; T341-L345 PolarHBondContact O-N 3.12Å |
| 342 | E | 82.9 | Confident | 82.2 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 20% | 0.201 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 176.5 | -169.2 | -179.6 | 142.5 | 0 | 0 | 111.2 | L332 K333 F337 P338 P339 F344 L345 Y346 | L332-E342 HydrophobicContact CD2-CG 3.75Å; L332-E342 HydrophobicContact CG-CG 4.47Å; K333-E342 VanDerWaalsContact CG-OE1 3.3Å; K333-E342 WeakPolarHBondContact CG-OE1 3.26Å; F337-E342 HydrophobicContact CB-CB 4.19Å; P338-E342 PolarHBondContact O-N 2.88Å; P339-E342 PolarHBondContact O-N 3.23Å; E342-F344 VanDerWaalsContact C-N 3.34Å; E342-F344 PolarHBondContact O-N 3.46Å; E342-L345 PolarHBondContact O-N 3.37Å; E342-Y346 WeakPolarHBondContact O-CB 3.32Å; E342-Y346 PolarHBondContact O-N 3.33Å |
| 343 | N | 86 | Confident | 82.4 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 177.7 | -78.9 | -5.2 | 0 | 0 | 0 | 111.5 | P339 Y346 H347 | P339-N343 WeakPolarHBondContact O-CB 3.43Å; P339-N343 PolarHBondContact O-N 3.13Å; N343-Y346 PolarHBondContact O-N 2.81Å; N343-H347 PolarHBondContact O-N 3.08Å; N343-H347 PolarHBondContact O-ND1 3.31Å |
| 344 | F | 87.3 | Confident | 82.4 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.8 | 170.6 | -105.7 | 0 | 0 | 0 | 112.1 | T175 M178 L179 L275 H276 I308 A340 T341 E342 Y346 H347 L348 | T175-F344 HydrophobicContact CG2-CD2 4.19Å; T175-F344 HydrophobicContact CG2-CE2 4.03Å; M178-F344 HydrophobicContact CB-CE2 4.48Å; L179-F344 HydrophobicContact CD1-CD2 4.26Å; L179-F344 HydrophobicContact CD2-CD2 3.91Å; L179-F344 HydrophobicContact CD2-CE2 3.88Å; L179-F344 HydrophobicContact CG-CD2 4.3Å; L179-F344 HydrophobicContact CG-CE2 4.21Å; L275-F344 HydrophobicContact CD2-CD1 4.33Å; L275-F344 HydrophobicContact CD2-CE1 3.91Å; H276-F344 AromaticContact CE1-CD2 3.89Å; H276-F344 AromaticContact CE1-CG 3.7Å; H276-F344 AromaticContact NE2-CD2 3.19Å; H276-F344 WeakPolarHBondContact NE2-CD2 3.43Å; H276-F344 AromaticContact NE2-CE2 3.62Å; H276-F344 AromaticContact NE2-CG 3.41Å; H276-F344 WeakPolarHBondContact NE2-CG 3.44Å; I308-F344 HydrophobicContact CG2-CE1 4Å; A340-F344 VanDerWaalsContact O-CB 3.32Å; A340-F344 WeakPolarHBondContact O-CB 3.1Å; A340-F344 PolarHBondContact O-N 2.91Å; T341-F344 PolarHBondContact O-N 3.39Å; E342-F344 VanDerWaalsContact C-N 3.34Å; E342-F344 PolarHBondContact O-N 3.46Å; F344-Y346 VanDerWaalsContact C-N 3.31Å; F344-Y346 PolarHBondContact O-N 3.18Å; F344-H347 PolarHBondContact O-N 3.4Å; F344-L348 HydrophobicContact CE1-CD2 3.94Å; F344-L348 HydrophobicContact CZ-CD2 3.92Å; F344-L348 VanDerWaalsContact O-CB 3.27Å; F344-L348 WeakPolarHBondContact O-CB 3.46Å; F344-L348 PolarHBondContact O-N 3.49Å |
| 345 | L | 85.8 | Confident | 82 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | -179.8 | -69.5 | 176.6 | 0 | 0 | 0 | 112.1 | I308 L312 L332 F337 T341 E342 A349 | I308-L345 HydrophobicContact CG2-CD2 4.47Å; L312-L345 HydrophobicContact CD1-CD2 4.15Å; L312-L345 HydrophobicContact CD2-CB 3.84Å; L312-L345 HydrophobicContact CD2-CD1 4.45Å; L312-L345 HydrophobicContact CD2-CD2 3.65Å; L312-L345 HydrophobicContact CD2-CG 4.16Å; L312-L345 HydrophobicContact CG-CD2 3.75Å; L332-L345 HydrophobicContact CD1-CB 4.24Å; L332-L345 HydrophobicContact CD1-CD1 4.21Å; L332-L345 HydrophobicContact CD2-CB 4.46Å; F337-L345 HydrophobicContact CD2-CD1 4.31Å; F337-L345 HydrophobicContact CE2-CD1 4.01Å; F337-L345 HydrophobicContact CZ-CD1 4.15Å; T341-L345 HydrophobicContact CG2-CD1 3.99Å; T341-L345 HydrophobicContact CG2-CG 4.36Å; T341-L345 WeakPolarHBondContact O-CB 3.49Å; T341-L345 WeakPolarHBondContact O-CG 3.47Å; T341-L345 PolarHBondContact O-N 3.12Å; E342-L345 PolarHBondContact O-N 3.37Å; L345-A349 WeakPolarHBondContact O-CB 3.33Å; L345-A349 PolarHBondContact O-N 2.99Å |
| 346 | Y | 84.3 | Confident | 81.2 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 38% | 0.376 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 173.3 | 176.5 | -99.1 | 0 | 0 | 0 | 112.1 | L329 E342 N343 F344 L348 A349 A350 L355 | L329-Y346 HydrophobicContact CD1-CE2 4.23Å; L329-Y346 HydrophobicContact CD2-CD2 3.36Å; L329-Y346 HydrophobicContact CD2-CE2 3.47Å; L329-Y346 VanDerWaalsContact CD2-CE2 3.47Å; E342-Y346 WeakPolarHBondContact O-CB 3.32Å; E342-Y346 PolarHBondContact O-N 3.33Å; N343-Y346 PolarHBondContact O-N 2.81Å; F344-Y346 VanDerWaalsContact C-N 3.31Å; F344-Y346 PolarHBondContact O-N 3.18Å; Y346-L348 VanDerWaalsContact C-N 3.32Å; Y346-L348 PolarHBondContact O-N 3Å; Y346-A349 PolarHBondContact O-N 3.16Å; Y346-A350 PolarHBondContact O-N 3.27Å; Y346-L355 HydrophobicContact CD2-CD2 4.41Å; Y346-L355 HydrophobicContact CE2-CD1 4.23Å; Y346-L355 HydrophobicContact CE2-CD2 4.16Å |
| 347 | H | 87.4 | Confident | 80 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 179.4 | -69.8 | 98.8 | 0 | 0 | 0 | 112.3 | L179 N343 F344 A350 A351 | L179-H347 HydrophobicContact CD1-CB 4.31Å; L179-H347 HydrophobicContact CD2-CB 3.67Å; N343-H347 PolarHBondContact O-N 3.08Å; N343-H347 PolarHBondContact O-ND1 3.31Å; F344-H347 PolarHBondContact O-N 3.4Å; H347-A350 WeakPolarHBondContact O-CB 3.33Å; H347-A350 PolarHBondContact O-N 3.04Å; H347-A351 WeakPolarHBondContact O-CB 3.45Å; H347-A351 PolarHBondContact O-N 3.27Å |
| 348 | L | 87 | Confident | 80 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.6 | -179.6 | 56.1 | 0 | 0 | 0 | 110.9 | M178 L179 I308 F309 L312 F344 Y346 A350 A351 E352 | M178-L348 HydrophobicContact CB-CD1 4.37Å; M178-L348 HydrophobicContact CE-CD1 3.62Å; M178-L348 HydrophobicContact CE-CD2 3.79Å; M178-L348 HydrophobicContact CE-CG 4.39Å; L179-L348 HydrophobicContact CD2-CB 4.1Å; I308-L348 HydrophobicContact CG2-CD2 3.87Å; F309-L348 HydrophobicContact CD1-CD2 4.48Å; F309-L348 HydrophobicContact CE1-CD1 3.96Å; F309-L348 HydrophobicContact CE1-CD2 4.02Å; F309-L348 HydrophobicContact CE1-CG 4.05Å; F309-L348 HydrophobicContact CZ-CD1 4.17Å; L312-L348 HydrophobicContact CD1-CD2 3.7Å; L312-L348 HydrophobicContact CD1-CG 4.03Å; F344-L348 HydrophobicContact CE1-CD2 3.94Å; F344-L348 HydrophobicContact CZ-CD2 3.92Å; F344-L348 VanDerWaalsContact O-CB 3.27Å; F344-L348 WeakPolarHBondContact O-CB 3.46Å; F344-L348 PolarHBondContact O-N 3.49Å; Y346-L348 VanDerWaalsContact C-N 3.32Å; Y346-L348 PolarHBondContact O-N 3Å; L348-A350 VanDerWaalsContact C-N 3.31Å; L348-A350 PolarHBondContact O-N 2.9Å; L348-A351 PolarHBondContact O-N 2.75Å; L348-E352 HydrophobicContact CD1-CG 4.24Å; L348-E352 WeakPolarHBondContact O-CG 3.41Å; L348-E352 PolarHBondContact O-N 3.12Å |
| 349 | A | 84.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L327 L345 Y346 E352 Q353 M354 L355 | L327-A349 HydrophobicContact CB-CB 4.14Å; L327-A349 HydrophobicContact CD1-CB 4.29Å; L327-A349 HydrophobicContact CD2-CB 3.75Å; L327-A349 HydrophobicContact CG-CB 4.28Å; L345-A349 WeakPolarHBondContact O-CB 3.33Å; L345-A349 PolarHBondContact O-N 2.99Å; Y346-A349 PolarHBondContact O-N 3.16Å; A349-E352 PolarHBondContact O-N 3.18Å; A349-Q353 PolarHBondContact O-N 3Å; A349-M354 HydrophobicContact CB-CB 4.12Å; A349-M354 WeakPolarHBondContact O-CB 3.3Å; A349-M354 PolarHBondContact O-N 3.22Å; A349-L355 HydrophobicContact CB-CD2 4.12Å |
| 350 | A | 84.9 | Confident | 79.6 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y346 H347 L348 E352 Q353 L355 | Y346-A350 PolarHBondContact O-N 3.27Å; H347-A350 WeakPolarHBondContact O-CB 3.33Å; H347-A350 PolarHBondContact O-N 3.04Å; L348-A350 VanDerWaalsContact C-N 3.31Å; L348-A350 PolarHBondContact O-N 2.9Å; A350-E352 VanDerWaalsContact C-N 3.27Å; A350-E352 PolarHBondContact O-N 3.26Å; A350-Q353 PolarHBondContact O-N 3.35Å; A350-Q353 VanDerWaalsContact O-N 3.08Å; A350-L355 HydrophobicContact CB-CD1 3.52Å; A350-L355 HydrophobicContact CB-CG 4.25Å |
| 351 | A | 85.9 | Confident | 79.4 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K180 H347 L348 Q353 | K180-A351 HydrophobicContact CB-CB 4.43Å; K180-A351 HydrophobicContact CD-CB 4.19Å; K180-A351 WeakPolarHBondContact CD-O 3.41Å; K180-A351 VanDerWaalsContact CE-O 3.27Å; K180-A351 WeakPolarHBondContact CE-O 3.44Å; K180-A351 HydrophobicContact CG-CB 4.15Å; K180-A351 PolarHBondContact NZ-O 2.94Å; H347-A351 WeakPolarHBondContact O-CB 3.45Å; H347-A351 PolarHBondContact O-N 3.27Å; L348-A351 PolarHBondContact O-N 2.75Å; A351-Q353 VanDerWaalsContact C-N 3.3Å |
| 352 | E | 83.9 | Confident | 79.1 | Confident | 54 Ų | 54 | 58 Ų | 58 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 9.4 | 176.5 | -62.3 | -53.1 | 154.5 | 0 | 0 | 114.3 | H206 R207 F309 L348 A349 A350 M354 | H206-E352 IonicContact NE2-OE1 3.99Å; R207-E352 IonicContact CZ-OE1 3.61Å; R207-E352 IonicContact NE-OE1 2.8Å; R207-E352 PolarHBondContact NE-OE1 2.87Å; R207-E352 IonicContact NH2-OE1 3.96Å; R207-E352 PolarHBondContact NH2-OE1 2.74Å; F309-E352 HydrophobicContact CE1-CG 3.74Å; F309-E352 HydrophobicContact CZ-CG 4.13Å; L348-E352 HydrophobicContact CD1-CG 4.24Å; L348-E352 WeakPolarHBondContact O-CG 3.41Å; L348-E352 PolarHBondContact O-N 3.12Å; A349-E352 PolarHBondContact O-N 3.18Å; A350-E352 VanDerWaalsContact C-N 3.27Å; A350-E352 PolarHBondContact O-N 3.26Å; E352-M354 HydrophobicContact CB-CG 3.84Å; E352-M354 HydrophobicContact CB-SD 3.91Å; E352-M354 PolarHBondContact O-N 2.84Å |
| 353 | Q | 79.8 | Confident | 78.9 | Confident | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.6 | -178.6 | -54.8 | -178.5 | -7.1 | 0 | 0 | 113.4 | A349 A350 A351 | A349-Q353 PolarHBondContact O-N 3Å; A350-Q353 PolarHBondContact O-N 3.35Å; A350-Q353 VanDerWaalsContact O-N 3.08Å; A351-Q353 VanDerWaalsContact C-N 3.3Å |
| 354 | M | 72.1 | Confident | 78.3 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | trans | -94.4 | 10.6 | 178.6 | -59.7 | 177 | 68.4 | 0 | 0 | 112.3 | R325 V326 L327 A349 E352 | R325-M354 HydrophobicContact CB-CE 4Å; R325-M354 WeakPolarHBondContact O-CA 3.14Å; R325-M354 WeakPolarHBondContact O-CB 3.42Å; V326-M354 CarbonylContact C-O 3.53Å; V326-M354 VanDerWaalsContact CA-O 3.29Å; V326-M354 WeakPolarHBondContact CA-O 3.47Å; L327-M354 WeakPolarHBondContact CB-O 3.45Å; L327-M354 PolarHBondContact N-O 2.66Å; A349-M354 HydrophobicContact CB-CB 4.12Å; A349-M354 WeakPolarHBondContact O-CB 3.3Å; A349-M354 PolarHBondContact O-N 3.22Å; E352-M354 HydrophobicContact CB-CG 3.84Å; E352-M354 HydrophobicContact CB-SD 3.91Å; E352-M354 PolarHBondContact O-N 2.84Å | ||
| 355 | L | 65.8 | Low | 77.7 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 140.8 | 176.5 | -64.6 | -179.6 | 0 | 0 | 0 | 111.2 | L327 L329 Y346 A349 A350 I357 | L327-L355 HydrophobicContact CB-CD2 4.36Å; L327-L355 HydrophobicContact CD2-CD2 4.24Å; L329-L355 HydrophobicContact CD2-CD2 4.22Å; Y346-L355 HydrophobicContact CD2-CD2 4.41Å; Y346-L355 HydrophobicContact CE2-CD1 4.23Å; Y346-L355 HydrophobicContact CE2-CD2 4.16Å; A349-L355 HydrophobicContact CB-CD2 4.12Å; A350-L355 HydrophobicContact CB-CD1 3.52Å; A350-L355 HydrophobicContact CB-CG 4.25Å; L355-I357 PolarHBondContact O-N 3.45Å |
| 356 | K | 58.5 | Low | 77 | Confident | 137 Ų | 137 | 68.9 Ų | 68.9 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | trans | -70 | 109.2 | 165.6 | -109.8 | 157.6 | -157.6 | 177 | 0 | 105 | E317 V326 | E317-K356 IonicContact OE2-NZ 3.19Å; E317-K356 PolarHBondContact OE2-NZ 3.21Å; V326-K356 HydrophobicContact CB-CG 4.34Å; V326-K356 HydrophobicContact CG1-CB 3.57Å; V326-K356 HydrophobicContact CG1-CD 3.77Å; V326-K356 HydrophobicContact CG1-CG 3.33Å | ||
| 357 | I | 50.4 | Low | 76.3 | Confident | 233 Ų | 233 | 66.5 Ų | 66.5 | 100% | 1.195 | 34% | 0.337 | S | S | * | . | trans | -79.3 | 0 | 172.1 | -59.8 | 178.7 | 0 | 0 | 0 | 108.6 | L355 | L355-I357 PolarHBondContact O-N 3.45Š|
Retrieved 357 of 357 residues in 78.3 ms
(Link to these results)