| 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 | 34.7 | Very low | 53.1 | Low | 208 Ų | 208 | 89.1 Ų | 89.1 | 100% | 1.025 | 51% | 0.514 | S | S | * | . | 0 | 104.4 | 0 | -95.2 | 170 | 70.9 | 0 | 0 | 109.8 | L3 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 HydrophobicContact CE-CD1 4.44Å; M1-L3 HydrophobicContact CE-CD2 3.82Å; M1-L3 HydrophobicContact CE-CG 4.17Å; M1-L3 PolarHBondContact O-N 3.14Å | |||
| 2 | V | 36.6 | Very low | 56.4 | Low | 125 Ų | 125 | 83.5 Ų | 83.5 | 76% | 0.758 | 48% | 0.48 | S | S | * | . | trans | -75.2 | 87.2 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | T4 | V2-T4 VanDerWaalsContact C-N 3.26Å; V2-T4 HydrophobicContact CG1-CG2 4.26Å; V2-T4 PolarHBondContact O-N 3.35Å | ||
| 3 | L | 40.8 | Very low | 59.3 | Low | 94 Ų | 94 | 77.2 Ų | 77.2 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | trans | -69.6 | 90.5 | 168.3 | -71.1 | 160.9 | 0 | 0 | 0 | 107 | M1 L8 K51 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 HydrophobicContact CE-CD1 4.44Å; M1-L3 HydrophobicContact CE-CD2 3.82Å; M1-L3 HydrophobicContact CE-CG 4.17Å; M1-L3 PolarHBondContact O-N 3.14Å; L3-L8 HydrophobicContact CB-CD1 4.26Å; L3-L8 HydrophobicContact CD2-CD1 3.33Å; L3-L8 HydrophobicContact CG-CD1 4.37Å; L3-K51 PolarHBondContact O-NZ 3.12Å | ||
| 4 | T | 41.4 | Very low | 61.9 | Low | 75 Ų | 75 | 71.9 Ų | 71.9 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | trans | -68.1 | 135.1 | 165.5 | 22.8 | 0 | 0 | 0 | 0 | 108.3 | V2 L6 | V2-T4 VanDerWaalsContact C-N 3.26Å; V2-T4 HydrophobicContact CG1-CG2 4.26Å; V2-T4 PolarHBondContact O-N 3.35Å; T4-L6 HydrophobicContact CG2-CD1 4.3Å; T4-L6 PolarHBondContact O-N 3.33Å; T4-L6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | L | 51.1 | Low | 64.3 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -63.2 | -10.6 | 170.3 | -79.1 | 172.5 | 0 | 0 | 0 | 112.7 | G7 Y10 K51 E54 | L5-G7 PolarHBondContact O-N 3.28Å; L5-Y10 HydrophobicContact CD2-CD1 3.78Å; L5-Y10 HydrophobicContact CD2-CE1 3.66Å; L5-Y10 HydrophobicContact CD2-CG 4.34Å; L5-K51 HydrophobicContact CD1-CB 3.54Å; L5-K51 HydrophobicContact CD1-CG 4.18Å; L5-K51 WeakPolarHBondContact CD1-O 3.29Å; L5-K51 HydrophobicContact CG-CB 4.06Å; L5-E54 HydrophobicContact CB-CG 4.32Å; L5-E54 HydrophobicContact CD1-CG 4.47Å |
| 6 | L | 51.3 | Low | 66.4 | Low | 157 Ų | 157 | 62.9 Ų | 62.9 | 82% | 0.822 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -69.6 | 23.9 | -171.2 | -76 | 162.2 | 0 | 0 | 0 | 115.1 | T4 | T4-L6 HydrophobicContact CG2-CD1 4.3Å; T4-L6 PolarHBondContact O-N 3.33Å; T4-L6 VanDerWaalsContact O-N 3.12Å |
| 7 | G | 50.7 | Low | 68.3 | Low | 69 Ų | 69 | 59.2 Ų | 59.2 | 71% | 0.711 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 175.3 | -8.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L5 | L5-G7 PolarHBondContact O-N 3.28Š|
| 8 | L | 53.3 | Low | 70 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | trans | -86 | 129.9 | 175.7 | -71.1 | 160 | 0 | 0 | 0 | 110.1 | L3 Y10 | L3-L8 HydrophobicContact CB-CD1 4.26Å; L3-L8 HydrophobicContact CD2-CD1 3.33Å; L3-L8 HydrophobicContact CG-CD1 4.37Å; L8-Y10 WeakPolarHBondContact O-CD1 3.27Å; L8-Y10 PolarHBondContact O-N 3.5Å | ||
| 9 | A | 64 | Low | 71.5 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | trans | -65.1 | 122.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | N96 V98 | A9-N96 HydrophobicContact CB-CB 4.35Å; A9-V98 HydrophobicContact CB-CG2 4.13Å | ||
| 10 | Y | 74.9 | Confident | 72.9 | Confident | 25 Ų | 25 | 51 Ų | 51 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | trans | -129.2 | 158.9 | 173.3 | 64 | -84.7 | 0 | 0 | 0 | 110.2 | L5 L8 E54 R83 R95 | L5-Y10 HydrophobicContact CD2-CD1 3.78Å; L5-Y10 HydrophobicContact CD2-CE1 3.66Å; L5-Y10 HydrophobicContact CD2-CG 4.34Å; L8-Y10 WeakPolarHBondContact O-CD1 3.27Å; L8-Y10 PolarHBondContact O-N 3.5Å; Y10-E54 WeakPolarHBondContact CE1-OE1 3.34Å; Y10-E54 PolarHBondContact OH-OE1 2.82Å; Y10-R83 HydrophobicContact CD2-CB 3.95Å; Y10-R83 HydrophobicContact CD2-CG 3.78Å; Y10-R83 HydrophobicContact CE2-CB 3.97Å; Y10-R83 HydrophobicContact CE2-CG 4.29Å; Y10-R83 HydrophobicContact CG-CG 4.49Å; Y10-R95 VanDerWaalsContact O-CB 3.31Å; Y10-R95 WeakPolarHBondContact O-CB 3.49Å; Y10-R95 PolarHBondContact O-N 3.18Å; Y10-R95 WeakPolarHBondContact OH-CD 3.35Å; Y10-R95 PolarHBondContact OH-NE 2.98Å; Y10-R95 PolarHBondContact OH-NH1 3.31Å | ||
| 11 | K | 85.7 | Confident | 74.1 | Confident | 53 Ų | 53 | 49 Ų | 49 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 141.3 | 172.7 | -59.2 | -64 | -171.9 | 171.2 | 0 | 109.5 | S84 V92 P94 V98 | K11-S84 PolarHBondContact O-N 2.83Å; K11-V92 HydrophobicContact CB-CG1 4.13Å; K11-P94 HydrophobicContact CD-CB 4.27Å; K11-V98 HydrophobicContact CD-CG2 4.19Å |
| 12 | Q | 91.9 | Very high | 77 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155.6 | 174.3 | 65.5 | -175.4 | -33 | 0 | 0 | 109.6 | N81 V82 V92 S93 R95 | Q12-N81 VanDerWaalsContact OE1-CB 3.32Å; Q12-V82 CarbonylContact C-O 3.6Å; Q12-V82 WeakPolarHBondContact CA-O 3.44Å; Q12-V82 WeakPolarHBondContact CB-O 3.43Å; Q12-V92 CarbonylContact O-C 3.5Å; Q12-V92 WeakPolarHBondContact O-CA 3.43Å; Q12-S93 WeakPolarHBondContact CG-OG 3.27Å; Q12-S93 PolarHBondContact N-O 3.14Å; Q12-S93 PolarHBondContact O-N 3.12Å; Q12-S93 VanDerWaalsContact O-O 3.13Å; Q12-R95 VanDerWaalsContact CD-NE 3.32Å; Q12-R95 HydrophobicContact CG-CB 4.27Å; Q12-R95 VanDerWaalsContact OE1-CZ 3.25Å |
| 13 | R | 94 | Very high | 79.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.5 | 170.4 | 77.4 | -179 | -64.5 | 159.3 | 9.6 | 111.3 | V15 N81 V82 E89 F90 G91 V92 E109 Y112 P131 | R13-V15 HydrophobicContact CG-CG1 3.6Å; R13-N81 WeakPolarHBondContact O-CA 3.31Å; R13-V82 HydrophobicContact CG-CG2 4.12Å; R13-V82 PolarHBondContact N-O 2.93Å; R13-V82 PolarHBondContact O-N 3.41Å; R13-E89 IonicContact NH1-OE2 2.72Å; R13-E89 IonicContact NH2-OE2 3.61Å; R13-F90 PolarHBondContact NH2-O 3.26Å; R13-G91 VanDerWaalsContact CA-O 3.28Å; R13-G91 WeakPolarHBondContact CA-O 3Å; R13-V92 HydrophobicContact CB-CG2 3.94Å; R13-E109 WeakPolarHBondContact CD-OE2 3.22Å; R13-E109 IonicContact CZ-OE2 2.82Å; R13-E109 IonicContact NE-OE2 3.67Å; R13-E109 IonicContact NH1-OE2 2.82Å; R13-E109 PolarHBondContact NH1-OE2 3Å; R13-Y112 VanDerWaalsContact CD-OH 3.25Å; R13-Y112 WeakPolarHBondContact CD-OH 3.48Å; R13-P131 VanDerWaalsContact NH2-CB 3.33Å |
| 14 | R | 96.4 | Very high | 82.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.4 | 168 | -166.9 | 76 | 171.5 | 176.1 | -12.7 | 109.2 | D60 H62 L80 N81 G91 V132 S133 F136 | R14-D60 VanDerWaalsContact CZ-O 3.3Å; R14-D60 IonicContact CZ-OD2 3.77Å; R14-D60 PolarHBondContact NH1-O 3Å; R14-D60 IonicContact NH1-OD2 3.63Å; R14-D60 PolarHBondContact NH1-OD2 2.78Å; R14-D60 PolarHBondContact NH2-O 2.92Å; R14-D60 VanDerWaalsContact NH2-O 3.12Å; R14-D60 IonicContact NH2-OD2 3.64Å; R14-D60 PolarHBondContact NH2-OD2 3.38Å; R14-H62 PolarHBondContact NH2-ND1 3.26Å; R14-H62 VanDerWaalsContact NH2-ND1 3.16Å; R14-L80 VanDerWaalsContact NH1-CA 3.35Å; R14-N81 WeakPolarHBondContact CD-OD1 3.35Å; R14-N81 PolarHBondContact NH1-OD1 3.03Å; R14-G91 PolarHBondContact N-O 3.2Å; R14-G91 VanDerWaalsContact N-O 3.07Å; R14-V132 HydrophobicContact CB-CG2 3.97Å; R14-V132 HydrophobicContact CG-CG2 3.39Å; R14-V132 PolarHBondContact O-N 3.29Å; R14-S133 WeakPolarHBondContact CG-O 2.93Å; R14-F136 PolarHBondContact NE-O 2.92Å; R14-F136 VanDerWaalsContact NE-O 3.1Å; R14-F136 PolarHBondContact NH2-O 3.14Å |
| 15 | V | 97.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.1 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | R13 L17 S79 L80 V82 Y112 W129 A130 | R13-V15 HydrophobicContact CG-CG1 3.6Å; V15-L17 HydrophobicContact CG2-CD2 3.89Å; V15-L17 HydrophobicContact CG2-CG 4.02Å; V15-S79 WeakPolarHBondContact O-CA 3.45Å; V15-L80 HydrophobicContact CG2-CD2 3.81Å; V15-L80 PolarHBondContact N-O 3.41Å; V15-L80 PolarHBondContact O-N 3.47Å; V15-L80 VanDerWaalsContact O-N 3.15Å; V15-V82 HydrophobicContact CB-CG2 4.46Å; V15-V82 HydrophobicContact CG1-CG2 3.78Å; V15-V82 HydrophobicContact CG2-CG1 4.05Å; V15-V82 HydrophobicContact CG2-CG2 3.77Å; V15-Y112 HydrophobicContact CG1-CE2 3.97Å; V15-W129 HydrophobicContact CB-CE3 4.17Å; V15-W129 HydrophobicContact CG1-CE3 3.75Å; V15-W129 HydrophobicContact CG1-CZ3 3.87Å; V15-A130 WeakPolarHBondContact CA-O 3.37Å |
| 16 | A | 98.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V77 V78 W129 A130 V132 F136 L286 W288 | A16-V77 HydrophobicContact CB-CG1 4.07Å; A16-V78 CarbonylContact C-O 3.52Å; A16-V78 VanDerWaalsContact CA-O 3.27Å; A16-V78 WeakPolarHBondContact CA-O 3.49Å; A16-W129 CarbonylContact O-C 3.59Å; A16-W129 WeakPolarHBondContact O-CA 3.34Å; A16-W129 WeakPolarHBondContact O-CB 3.49Å; A16-A130 HydrophobicContact CB-CB 4.42Å; A16-A130 PolarHBondContact N-O 3.44Å; A16-A130 PolarHBondContact O-N 3.29Å; A16-V132 HydrophobicContact CB-CG1 3.87Å; A16-F136 HydrophobicContact CB-CE1 4.04Å; A16-F136 HydrophobicContact CB-CZ 4.49Å; A16-L286 HydrophobicContact CB-CD1 4.5Å; A16-W288 HydrophobicContact CB-CH2 4Å; A16-W288 HydrophobicContact CB-CZ3 4.22Å |
| 17 | L | 98.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135 | 171.5 | -58 | -180 | 0 | 0 | 0 | 109.2 | V15 L19 V77 V78 L80 L116 V126 W129 | V15-L17 HydrophobicContact CG2-CD2 3.89Å; V15-L17 HydrophobicContact CG2-CG 4.02Å; L17-L19 HydrophobicContact CB-CD1 4.43Å; L17-V77 WeakPolarHBondContact O-CA 3.31Å; L17-V78 HydrophobicContact CB-CG2 3.86Å; L17-V78 HydrophobicContact CG-CG2 4.49Å; L17-V78 PolarHBondContact N-O 3.47Å; L17-V78 PolarHBondContact O-N 3.29Å; L17-L80 HydrophobicContact CD1-CD2 3.8Å; L17-L80 HydrophobicContact CG-CD2 3.95Å; L17-L116 HydrophobicContact CD1-CD1 3.75Å; L17-V126 HydrophobicContact CB-CG1 4.33Å; L17-V126 HydrophobicContact CD2-CG1 4.36Å; L17-W129 HydrophobicContact CD2-CB 3.61Å |
| 18 | M | 98.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.3 | 174.2 | -169.7 | -179.8 | -59.8 | 0 | 0 | 109.8 | R75 V77 V126 I127 A128 W288 W290 | M18-R75 HydrophobicContact CG-CB 4.25Å; M18-R75 HydrophobicContact SD-CB 4.01Å; M18-R75 HydrophobicContact SD-CG 3.76Å; M18-V77 HydrophobicContact CG-CG2 4.37Å; M18-V126 CarbonylContact O-C 3.47Å; M18-V126 WeakPolarHBondContact O-CA 3.45Å; M18-I127 HydrophobicContact CB-CG1 4.06Å; M18-I127 HydrophobicContact CG-CD1 3.96Å; M18-I127 HydrophobicContact CG-CG1 3.79Å; M18-I127 WeakPolarHBondContact O-CG1 3.48Å; M18-I127 PolarHBondContact O-N 2.98Å; M18-I127 HydrophobicContact SD-CD1 3.66Å; M18-I127 HydrophobicContact SD-CG1 3.94Å; M18-A128 HydrophobicContact CB-CB 4.12Å; M18-A128 PolarHBondContact N-O 3.49Å; M18-W288 HydrophobicContact CB-CE3 4.34Å; M18-W288 HydrophobicContact CB-CH2 4.09Å; M18-W288 HydrophobicContact CB-CZ3 3.78Å; M18-W288 HydrophobicContact CE-CD2 3.57Å; M18-W288 HydrophobicContact CE-CE3 3.81Å; M18-W288 HydrophobicContact CE-CG 4.24Å; M18-W288 HydrophobicContact CE-CH2 3.73Å; M18-W288 HydrophobicContact CE-CZ2 3.46Å; M18-W288 VanDerWaalsContact CE-CZ2 3.46Å; M18-W288 HydrophobicContact CE-CZ3 3.9Å; M18-W290 HydrophobicContact CE-CH2 4.12Å; M18-W290 HydrophobicContact SD-CH2 3.88Å; M18-W290 HydrophobicContact SD-CZ3 4.45Å |
| 19 | L | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.7 | 179 | -64 | 92 | 0 | 0 | 0 | 111.3 | L17 Y21 V39 L43 L74 Q76 V78 V124 K125 V126 | L17-L19 HydrophobicContact CB-CD1 4.43Å; L19-Y21 HydrophobicContact CB-CD1 4.27Å; L19-V39 HydrophobicContact CD2-CG1 4.32Å; L19-L43 HydrophobicContact CD2-CD1 4.21Å; L19-L43 HydrophobicContact CD2-CD2 4.01Å; L19-L74 CarbonylContact O-C 3.53Å; L19-L74 VanDerWaalsContact O-O 3.06Å; L19-Q76 HydrophobicContact CB-CB 4.29Å; L19-Q76 PolarHBondContact N-O 3.09Å; L19-Q76 PolarHBondContact O-N 3Å; L19-V78 HydrophobicContact CD1-CB 4.34Å; L19-V78 HydrophobicContact CD1-CG1 3.87Å; L19-V78 HydrophobicContact CD1-CG2 3.63Å; L19-V124 HydrophobicContact CD2-CG1 4.23Å; L19-K125 CarbonylContact C-O 3.42Å; L19-K125 VanDerWaalsContact CA-O 3.32Å; L19-K125 WeakPolarHBondContact CA-O 3.29Å; L19-V126 HydrophobicContact CG-CG2 4.35Å |
| 20 | A | 98.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 7% | 0.074 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A73 L74 K125 I127 | A20-A73 CarbonylContact C-O 3.59Å; A20-A73 VanDerWaalsContact CA-O 3.28Å; A20-A73 WeakPolarHBondContact CA-O 3.37Å; A20-L74 HydrophobicContact CB-CD1 4.05Å; A20-K125 PolarHBondContact N-O 3.21Å; A20-K125 PolarHBondContact O-N 3.38Å; A20-K125 VanDerWaalsContact O-O 3.14Å; A20-I127 HydrophobicContact CB-CD1 4.35Å; A20-I127 HydrophobicContact CB-CG2 3.81Å |
| 21 | Y | 98.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 145.2 | 175.2 | 54.2 | -93.3 | 0 | 0 | 0 | 113.6 | L19 F29 V39 T67 V71 S72 A73 Q76 S123 | L19-Y21 HydrophobicContact CB-CD1 4.27Å; Y21-F29 HydrophobicContact CE1-CD2 4.1Å; Y21-F29 HydrophobicContact CE1-CE2 4.25Å; Y21-V39 HydrophobicContact CD1-CG1 3.83Å; Y21-V39 HydrophobicContact CD1-CG2 4.39Å; Y21-V39 HydrophobicContact CD2-CG2 3.87Å; Y21-V39 HydrophobicContact CE1-CG1 3.97Å; Y21-V39 HydrophobicContact CE1-CG2 4.46Å; Y21-V39 HydrophobicContact CE2-CG2 3.97Å; Y21-V39 HydrophobicContact CG-CG1 4.24Å; Y21-V39 HydrophobicContact CG-CG2 4.1Å; Y21-T67 WeakPolarHBondContact OH-CG2 3.42Å; Y21-T67 PolarHBondContact OH-OG1 2.95Å; Y21-V71 WeakPolarHBondContact CE2-O 3Å; Y21-S72 WeakPolarHBondContact O-CA 3.4Å; Y21-S72 WeakPolarHBondContact O-CB 3.14Å; Y21-A73 HydrophobicContact CD1-CB 4.07Å; Y21-A73 HydrophobicContact CD2-CB 4.37Å; Y21-A73 HydrophobicContact CE1-CB 3.49Å; Y21-A73 VanDerWaalsContact CE1-CB 3.49Å; Y21-A73 HydrophobicContact CE2-CB 3.83Å; Y21-A73 HydrophobicContact CG-CB 4.48Å; Y21-A73 PolarHBondContact N-O 2.99Å; Y21-A73 PolarHBondContact O-N 2.64Å; Y21-Q76 HydrophobicContact CE1-CB 3.72Å; Y21-Q76 HydrophobicContact CE1-CG 3.95Å; Y21-Q76 PolarHBondContact OH-NE2 3.39Å; Y21-S123 CarbonylContact C-O 3.6Å; Y21-S123 WeakPolarHBondContact CA-O 3.47Å; Y21-S123 WeakPolarHBondContact CB-O 3.31Å |
| 22 | V | 97.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 16% | 0.158 | 14% | 0.139 | C | C | . | . | trans | -88.6 | 109.7 | 166 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | W24 S123 L302 | V22-W24 HydrophobicContact CG1-CD2 3.44Å; V22-W24 VanDerWaalsContact CG1-CD2 3.44Å; V22-W24 HydrophobicContact CG1-CE3 3.39Å; V22-W24 HydrophobicContact CG1-CG 3.94Å; V22-W24 HydrophobicContact CG1-CH2 4.22Å; V22-W24 HydrophobicContact CG1-CZ2 4.27Å; V22-W24 HydrophobicContact CG1-CZ3 3.78Å; V22-W24 PolarHBondContact O-N 2.86Å; V22-S123 PolarHBondContact N-O 3.34Å; V22-L302 HydrophobicContact CG2-CD2 4.18Å | ||
| 23 | G | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -83 | -5.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E25 F26 F70 V71 S72 | G23-E25 PolarHBondContact O-N 3.43Å; G23-E25 VanDerWaalsContact O-N 3.09Å; G23-F26 PolarHBondContact O-N 3.34Å; G23-F70 CarbonylContact O-C 3.58Å; G23-F70 VanDerWaalsContact O-CA 3.25Å; G23-F70 WeakPolarHBondContact O-CA 3.38Å; G23-V71 WeakPolarHBondContact CA-O 3.42Å; G23-S72 PolarHBondContact N-OG 3.04Å | ||
| 24 | W | 95.7 | Very high | 91.8 | Very high | 111 Ų | 111 | 41.4 Ų | 41.4 | 42% | 0.42 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24 | -165.5 | -55.5 | -30.5 | 0 | 0 | 0 | 115.1 | V22 F70 E274 H309 | V22-W24 HydrophobicContact CG1-CD2 3.44Å; V22-W24 VanDerWaalsContact CG1-CD2 3.44Å; V22-W24 HydrophobicContact CG1-CE3 3.39Å; V22-W24 HydrophobicContact CG1-CG 3.94Å; V22-W24 HydrophobicContact CG1-CH2 4.22Å; V22-W24 HydrophobicContact CG1-CZ2 4.27Å; V22-W24 HydrophobicContact CG1-CZ3 3.78Å; V22-W24 PolarHBondContact O-N 2.86Å; W24-F70 WeakPolarHBondContact O-CD1 3.44Å; W24-F70 WeakPolarHBondContact O-CE1 3.1Å; W24-E274 PolarHBondContact NE1-O 3.02Å; W24-H309 AromaticContact CZ3-CD2 3.8Å; W24-H309 AromaticContact CZ3-CE1 3.59Å; W24-H309 AromaticContact CZ3-NE2 3.34Å; W24-H309 VanDerWaalsContact CZ3-NE2 3.34Å; W24-H309 WeakPolarHBondContact CZ3-NE2 3.47Å |
| 25 | E | 94.6 | Very high | 90.9 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 51% | 0.514 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -4.3 | 177.3 | 66.5 | -175.9 | 171.6 | 0 | 0 | 113.6 | G23 N37 S123 | G23-E25 PolarHBondContact O-N 3.43Å; G23-E25 VanDerWaalsContact O-N 3.09Å; E25-N37 PolarHBondContact O-ND2 3.36Å; E25-S123 WeakPolarHBondContact OE1-CB 3.4Å; E25-S123 PolarHBondContact OE1-OG 2.93Å |
| 26 | F | 96.5 | Very high | 90.2 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -103.3 | 144.8 | -172.3 | -65.3 | -80 | 0 | 0 | 0 | 112.8 | G23 G28 V39 V42 F70 P121 S123 V124 | G23-F26 PolarHBondContact O-N 3.34Å; F26-G28 PolarHBondContact O-N 3.02Å; F26-V39 HydrophobicContact CB-CG2 4.29Å; F26-V39 HydrophobicContact CD1-CG2 4.33Å; F26-V39 HydrophobicContact CD2-CG2 4.2Å; F26-V39 HydrophobicContact CG-CG2 4.01Å; F26-V42 HydrophobicContact CE1-CG1 4.08Å; F26-V42 HydrophobicContact CE1-CG2 4.21Å; F26-F70 PolarHBondContact O-N 2.95Å; F26-P121 HydrophobicContact CZ-CG 4.49Å; F26-S123 WeakPolarHBondContact CE2-OG 3.47Å; F26-S123 WeakPolarHBondContact CZ-OG 3.49Å; F26-V124 HydrophobicContact CE1-CG2 4.34Å; F26-V124 HydrophobicContact CE2-CG2 3.63Å; F26-V124 HydrophobicContact CZ-CG2 3.48Å; F26-V124 VanDerWaalsContact CZ-CG2 3.48Å |
| 27 | D | 95.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -78 | 23.3 | 173.9 | -65.6 | -56.5 | 0 | 0 | 0 | 113.2 | V35 N37 T38 K69 | D27-V35 HydrophobicContact CB-CG1 3.43Å; D27-V35 VanDerWaalsContact CB-CG1 3.43Å; D27-V35 WeakPolarHBondContact OD2-CG1 3.44Å; D27-N37 PolarHBondContact N-O 2.91Å; D27-T38 HydrophobicContact CB-CG2 4.5Å; D27-K69 WeakPolarHBondContact OD1-CD 3.38Å; D27-K69 VanDerWaalsContact OD1-CE 3.25Å; D27-K69 WeakPolarHBondContact OD1-CE 3.5Å; D27-K69 IonicContact OD1-NZ 2.9Å; D27-K69 PolarHBondContact OD1-NZ 3.08Å |
| 28 | G | 94.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | trans | 105.9 | -174.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | F26 T38 V39 D68 | F26-G28 PolarHBondContact O-N 3.02Å; G28-T38 WeakPolarHBondContact O-CA 3.35Å; G28-T38 WeakPolarHBondContact O-CB 3.28Å; G28-V39 PolarHBondContact O-N 3.5Å; G28-D68 WeakPolarHBondContact CA-O 3.23Å | ||
| 29 | F | 95.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -73.2 | -54.6 | -176.9 | -169.7 | -81.1 | 0 | 0 | 0 | 112.4 | Y21 V39 E40 F61 I63 T67 Q76 V78 | Y21-F29 HydrophobicContact CE1-CD2 4.1Å; Y21-F29 HydrophobicContact CE1-CE2 4.25Å; F29-V39 HydrophobicContact CD2-CB 3.88Å; F29-V39 HydrophobicContact CD2-CG1 3.9Å; F29-V39 HydrophobicContact CE2-CB 4.15Å; F29-V39 HydrophobicContact CE2-CG1 3.72Å; F29-V39 HydrophobicContact CG-CB 4.43Å; F29-E40 HydrophobicContact CD1-CB 4.13Å; F29-E40 HydrophobicContact CE1-CB 3.88Å; F29-E40 HydrophobicContact CE1-CG 4.47Å; F29-E40 WeakPolarHBondContact O-CB 3.44Å; F29-E40 PolarHBondContact O-N 2.81Å; F29-F61 HydrophobicContact CE1-CE1 4.27Å; F29-F61 AromaticContact CE1-CZ 3.98Å; F29-F61 HydrophobicContact CE1-CZ 3.98Å; F29-F61 HydrophobicContact CZ-CZ 4.19Å; F29-I63 HydrophobicContact CD1-CD1 4.04Å; F29-I63 HydrophobicContact CD1-CG2 4Å; F29-I63 HydrophobicContact CE1-CB 4.31Å; F29-I63 HydrophobicContact CE1-CD1 4.39Å; F29-I63 HydrophobicContact CE1-CG2 3.26Å; F29-I63 HydrophobicContact CZ-CG2 3.78Å; F29-T67 PolarHBondContact N-O 3.4Å; F29-Q76 HydrophobicContact CD2-CG 4.1Å; F29-Q76 HydrophobicContact CE2-CG 3.71Å; F29-V78 HydrophobicContact CE1-CG1 4.49Å; F29-V78 HydrophobicContact CE2-CG1 4.48Å; F29-V78 HydrophobicContact CZ-CG1 3.74Å |
| 30 | C | 90.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -82.8 | 137.7 | -168.8 | -76.5 | 0 | 0 | 0 | 0 | 113.2 | Q32 T38 E40 I63 R66 | C30-Q32 PolarHBondContact O-N 3.35Å; C30-T38 WeakPolarHBondContact O-CG2 3.49Å; C30-E40 WeakPolarHBondContact CA-OE2 3.45Å; C30-I63 VanDerWaalsContact SG-CD1 3.5Å; C30-R66 PolarHBondContact SG-NE 2.91Å; C30-R66 VanDerWaalsContact SG-NE 3.35Å |
| 31 | A | 77 | Confident | 89.5 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | trans | -63.6 | 131 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E40 | A31-E40 PolarHBondContact N-OE2 2.97Š| ||
| 32 | Q | 75 | Confident | 89.5 | Confident | 131 Ų | 131 | 56 Ų | 56 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | B | Isolated β-bridge | trans | -115.6 | 158 | 173.2 | -64.9 | -177.7 | -4.8 | 0 | 0 | 108.9 | C30 N34 V35 | C30-Q32 PolarHBondContact O-N 3.35Å; Q32-N34 CarbonylContact O-C 3.48Å; Q32-N34 PolarHBondContact O-N 2.98Å; Q32-V35 HydrophobicContact CB-CB 4.43Å; Q32-V35 HydrophobicContact CB-CG2 4.4Å; Q32-V35 PolarHBondContact O-N 2.93Å |
| 33 | N | 63.9 | Low | 89.5 | Confident | 168 Ų | 168 | 54.8 Ų | 54.8 | 90% | 0.898 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.1 | -29.5 | -167 | -65.2 | -14.4 | 0 | 0 | 0 | 118 | ||
| 34 | N | 70.8 | Confident | 89.5 | Confident | 156 Ų | 156 | 55.3 Ų | 55.3 | 83% | 0.834 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | 1.5 | 172.8 | -73 | -39.6 | 0 | 0 | 0 | 115.3 | Q32 K36 | Q32-N34 CarbonylContact O-C 3.48Å; Q32-N34 PolarHBondContact O-N 2.98Å; N34-K36 PolarHBondContact O-N 3.02Å |
| 35 | V | 77.1 | Confident | 89.5 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 30% | 0.303 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -93.6 | 100.7 | -175.6 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | D27 Q32 T38 | D27-V35 HydrophobicContact CB-CG1 3.43Å; D27-V35 VanDerWaalsContact CB-CG1 3.43Å; D27-V35 WeakPolarHBondContact OD2-CG1 3.44Å; Q32-V35 HydrophobicContact CB-CB 4.43Å; Q32-V35 HydrophobicContact CB-CG2 4.4Å; Q32-V35 PolarHBondContact O-N 2.93Å; V35-T38 HydrophobicContact CG1-CG2 3.96Å |
| 36 | K | 82.7 | Confident | 89.7 | Confident | 171 Ų | 171 | 51.7 Ų | 51.7 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | trans | -86.9 | -13.6 | -179.3 | -64.8 | -176.5 | -179.1 | 176.9 | 0 | 113.8 | N34 T38 A41 | N34-K36 PolarHBondContact O-N 3.02Å; K36-T38 VanDerWaalsContact C-N 3.3Å; K36-T38 PolarHBondContact O-N 2.98Å; K36-T38 VanDerWaalsContact O-N 3.13Å; K36-A41 VanDerWaalsContact O-CB 3.25Å; K36-A41 WeakPolarHBondContact O-CB 3.36Å | ||
| 37 | N | 93.7 | Very high | 89.8 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | trans | -89.1 | 64.7 | -177.4 | -173.4 | 33.9 | 0 | 0 | 0 | 111.6 | E25 D27 | E25-N37 PolarHBondContact O-ND2 3.36Å; D27-N37 PolarHBondContact N-O 2.91Å | ||
| 38 | T | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -132.1 | 153.8 | -176.3 | 63.8 | 0 | 0 | 0 | 0 | 111 | D27 G28 C30 V35 K36 E40 A41 V42 | D27-T38 HydrophobicContact CB-CG2 4.5Å; G28-T38 WeakPolarHBondContact O-CA 3.35Å; G28-T38 WeakPolarHBondContact O-CB 3.28Å; C30-T38 WeakPolarHBondContact O-CG2 3.49Å; V35-T38 HydrophobicContact CG1-CG2 3.96Å; K36-T38 VanDerWaalsContact C-N 3.3Å; K36-T38 PolarHBondContact O-N 2.98Å; K36-T38 VanDerWaalsContact O-N 3.13Å; T38-E40 PolarHBondContact O-N 3.33Å; T38-A41 PolarHBondContact O-N 3.37Å; T38-A41 VanDerWaalsContact OG1-CB 3.26Å; T38-A41 WeakPolarHBondContact OG1-CB 3.4Å; T38-A41 PolarHBondContact OG1-N 3.48Å; T38-V42 PolarHBondContact O-N 2.96Å; T38-V42 VanDerWaalsContact O-N 3.14Å |
| 39 | V | 97.3 | Very high | 90 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L19 Y21 F26 G28 F29 V42 L43 V124 | L19-V39 HydrophobicContact CD2-CG1 4.32Å; Y21-V39 HydrophobicContact CD1-CG1 3.83Å; Y21-V39 HydrophobicContact CD1-CG2 4.39Å; Y21-V39 HydrophobicContact CD2-CG2 3.87Å; Y21-V39 HydrophobicContact CE1-CG1 3.97Å; Y21-V39 HydrophobicContact CE1-CG2 4.46Å; Y21-V39 HydrophobicContact CE2-CG2 3.97Å; Y21-V39 HydrophobicContact CG-CG1 4.24Å; Y21-V39 HydrophobicContact CG-CG2 4.1Å; F26-V39 HydrophobicContact CB-CG2 4.29Å; F26-V39 HydrophobicContact CD1-CG2 4.33Å; F26-V39 HydrophobicContact CD2-CG2 4.2Å; F26-V39 HydrophobicContact CG-CG2 4.01Å; G28-V39 PolarHBondContact O-N 3.5Å; F29-V39 HydrophobicContact CD2-CB 3.88Å; F29-V39 HydrophobicContact CD2-CG1 3.9Å; F29-V39 HydrophobicContact CE2-CB 4.15Å; F29-V39 HydrophobicContact CE2-CG1 3.72Å; F29-V39 HydrophobicContact CG-CB 4.43Å; V39-V42 WeakPolarHBondContact O-CG2 3.32Å; V39-L43 VanDerWaalsContact O-CB 3.3Å; V39-L43 WeakPolarHBondContact O-CB 3.38Å; V39-L43 PolarHBondContact O-N 2.9Å; V39-V124 HydrophobicContact CG1-CG1 3.91Å; V39-V124 HydrophobicContact CG1-CG2 4.34Å |
| 40 | E | 96.6 | Very high | 90 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176 | -179.8 | 171.4 | -138.8 | 0 | 0 | 112.2 | F29 C30 A31 T38 V42 L43 F44 R56 F61 | F29-E40 HydrophobicContact CD1-CB 4.13Å; F29-E40 HydrophobicContact CE1-CB 3.88Å; F29-E40 HydrophobicContact CE1-CG 4.47Å; F29-E40 WeakPolarHBondContact O-CB 3.44Å; F29-E40 PolarHBondContact O-N 2.81Å; C30-E40 WeakPolarHBondContact CA-OE2 3.45Å; A31-E40 PolarHBondContact N-OE2 2.97Å; T38-E40 PolarHBondContact O-N 3.33Å; E40-V42 PolarHBondContact O-N 3.46Å; E40-L43 PolarHBondContact O-N 2.94Å; E40-F44 HydrophobicContact CG-CD2 3.77Å; E40-F44 HydrophobicContact CG-CE2 3.98Å; E40-F44 WeakPolarHBondContact O-CD2 3.45Å; E40-F44 PolarHBondContact O-N 3.44Å; E40-R56 IonicContact OE1-CZ 2.72Å; E40-R56 IonicContact OE1-NE 2.85Å; E40-R56 IonicContact OE1-NH1 3.52Å; E40-R56 PolarHBondContact OE1-NH1 2.88Å; E40-R56 IonicContact OE1-NH2 3.78Å; E40-R56 PolarHBondContact OE1-NH2 2.72Å; E40-F61 HydrophobicContact CG-CE1 4.24Å; E40-F61 HydrophobicContact CG-CZ 4.41Å; E40-F61 WeakPolarHBondContact OE1-CE1 3.28Å |
| 41 | A | 95.6 | Very high | 90.2 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K36 T38 R45 | K36-A41 VanDerWaalsContact O-CB 3.25Å; K36-A41 WeakPolarHBondContact O-CB 3.36Å; T38-A41 PolarHBondContact O-N 3.37Å; T38-A41 VanDerWaalsContact OG1-CB 3.26Å; T38-A41 WeakPolarHBondContact OG1-CB 3.4Å; T38-A41 PolarHBondContact OG1-N 3.48Å; A41-R45 WeakPolarHBondContact O-CB 3.47Å; A41-R45 PolarHBondContact O-N 3.48Å |
| 42 | V | 96.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 176 | -59.5 | 0 | 0 | 0 | 0 | 112 | F26 T38 V39 E40 R45 A46 P121 V124 | F26-V42 HydrophobicContact CE1-CG1 4.08Å; F26-V42 HydrophobicContact CE1-CG2 4.21Å; T38-V42 PolarHBondContact O-N 2.96Å; T38-V42 VanDerWaalsContact O-N 3.14Å; V39-V42 WeakPolarHBondContact O-CG2 3.32Å; E40-V42 PolarHBondContact O-N 3.46Å; V42-R45 PolarHBondContact O-N 3.48Å; V42-A46 PolarHBondContact O-N 2.99Å; V42-A46 VanDerWaalsContact O-N 3.09Å; V42-P121 HydrophobicContact CB-CG 4.26Å; V42-P121 HydrophobicContact CG1-CG 4.46Å; V42-P121 HydrophobicContact CG2-CG 4.2Å; V42-V124 HydrophobicContact CG2-CB 4.38Å; V42-V124 HydrophobicContact CG2-CG1 4.4Å; V42-V124 HydrophobicContact CG2-CG2 4.03Å |
| 43 | L | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 173.9 | 177 | 63.2 | 0 | 0 | 0 | 111.7 | L19 V39 E40 R45 A46 L47 F61 V78 L120 | L19-L43 HydrophobicContact CD2-CD1 4.21Å; L19-L43 HydrophobicContact CD2-CD2 4.01Å; V39-L43 VanDerWaalsContact O-CB 3.3Å; V39-L43 WeakPolarHBondContact O-CB 3.38Å; V39-L43 PolarHBondContact O-N 2.9Å; E40-L43 PolarHBondContact O-N 2.94Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.34Å; L43-A46 PolarHBondContact O-N 2.91Å; L43-A46 VanDerWaalsContact O-N 3.16Å; L43-L47 HydrophobicContact CD1-CD1 4.13Å; L43-L47 HydrophobicContact CD1-CG 4.3Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.81Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CG 3.22Å; L43-L47 PolarHBondContact O-N 3.36Å; L43-F61 HydrophobicContact CD2-CE2 3.87Å; L43-F61 HydrophobicContact CD2-CZ 4.22Å; L43-V78 HydrophobicContact CD2-CG2 4.25Å; L43-L120 HydrophobicContact CD1-CD2 4.49Å |
| 44 | F | 96.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -35.5 | 178.9 | -90.5 | -78.1 | 0 | 0 | 0 | 112.7 | E40 A46 L47 M48 R56 A59 F61 | E40-F44 HydrophobicContact CG-CD2 3.77Å; E40-F44 HydrophobicContact CG-CE2 3.98Å; E40-F44 WeakPolarHBondContact O-CD2 3.45Å; E40-F44 PolarHBondContact O-N 3.44Å; F44-A46 VanDerWaalsContact C-N 3.31Å; F44-A46 PolarHBondContact O-N 2.84Å; F44-L47 HydrophobicContact CD1-CD1 4.22Å; F44-L47 HydrophobicContact CE1-CD1 4.24Å; F44-L47 HydrophobicContact CG-CD1 4.48Å; F44-L47 PolarHBondContact O-N 2.98Å; F44-M48 HydrophobicContact CB-CE 4.27Å; F44-M48 WeakPolarHBondContact O-CB 3.47Å; F44-M48 WeakPolarHBondContact O-CE 3.42Å; F44-M48 WeakPolarHBondContact O-CG 3.39Å; F44-M48 PolarHBondContact O-N 3.29Å; F44-R56 HydrophobicContact CD1-CB 4Å; F44-R56 VanDerWaalsContact CE1-CA 3.46Å; F44-R56 HydrophobicContact CE1-CB 3.82Å; F44-R56 HydrophobicContact CE1-CG 4.13Å; F44-R56 HydrophobicContact CE2-CG 4.33Å; F44-R56 HydrophobicContact CZ-CB 4.18Å; F44-R56 HydrophobicContact CZ-CG 3.97Å; F44-R56 VanDerWaalsContact CZ-NH1 3.32Å; F44-A59 HydrophobicContact CE1-CB 4.04Å; F44-A59 HydrophobicContact CZ-CB 4.32Å; F44-F61 HydrophobicContact CE2-CB 4.35Å; F44-F61 HydrophobicContact CE2-CD1 4.02Å; F44-F61 AromaticContact CE2-CD2 3.67Å; F44-F61 HydrophobicContact CE2-CD2 3.67Å; F44-F61 HydrophobicContact CE2-CE1 4.09Å; F44-F61 AromaticContact CE2-CE2 3.8Å; F44-F61 HydrophobicContact CE2-CE2 3.8Å; F44-F61 AromaticContact CE2-CG 3.77Å; F44-F61 HydrophobicContact CE2-CG 3.77Å; F44-F61 AromaticContact CE2-CZ 3.99Å; F44-F61 HydrophobicContact CE2-CZ 3.99Å; F44-F61 HydrophobicContact CZ-CB 3.74Å; F44-F61 HydrophobicContact CZ-CD1 4.27Å; F44-F61 AromaticContact CZ-CD2 3.57Å; F44-F61 HydrophobicContact CZ-CD2 3.57Å; F44-F61 HydrophobicContact CZ-CE2 4.16Å; F44-F61 AromaticContact CZ-CG 3.61Å; F44-F61 HydrophobicContact CZ-CG 3.61Å |
| 45 | R | 96.1 | Very high | 94.3 | Very high | 143 Ų | 143 | 43.5 Ų | 43.5 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 171.4 | -172 | -176.5 | -59.7 | 137.3 | 5.2 | 111.2 | A41 V42 L43 K49 | A41-R45 WeakPolarHBondContact O-CB 3.47Å; A41-R45 PolarHBondContact O-N 3.48Å; V42-R45 PolarHBondContact O-N 3.48Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.34Å; R45-K49 WeakPolarHBondContact O-CB 3.33Å; R45-K49 PolarHBondContact O-N 3Å |
| 46 | A | 98.2 | Very high | 95 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V42 L43 F44 M48 K49 T50 L116 C119 L120 | V42-A46 PolarHBondContact O-N 2.99Å; V42-A46 VanDerWaalsContact O-N 3.09Å; L43-A46 PolarHBondContact O-N 2.91Å; L43-A46 VanDerWaalsContact O-N 3.16Å; F44-A46 VanDerWaalsContact C-N 3.31Å; F44-A46 PolarHBondContact O-N 2.84Å; A46-M48 PolarHBondContact O-N 2.84Å; A46-K49 PolarHBondContact O-N 3.32Å; A46-T50 WeakPolarHBondContact O-CB 3.41Å; A46-T50 VanDerWaalsContact O-CG2 3.27Å; A46-T50 WeakPolarHBondContact O-CG2 3.25Å; A46-T50 PolarHBondContact O-N 3.24Å; A46-T50 PolarHBondContact O-OG1 3.14Å; A46-L116 HydrophobicContact CB-CD2 4.07Å; A46-C119 HydrophobicContact CB-CB 3.85Å; A46-L120 HydrophobicContact CB-CD2 3.68Å; A46-L120 HydrophobicContact CB-CG 3.82Å |
| 47 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 178.4 | -75 | 162.9 | 0 | 0 | 0 | 112.8 | L43 F44 T50 K51 L52 V53 L80 V82 L116 | L43-L47 HydrophobicContact CD1-CD1 4.13Å; L43-L47 HydrophobicContact CD1-CG 4.3Å; L43-L47 HydrophobicContact CD2-CD1 4.42Å; L43-L47 HydrophobicContact CG-CD1 3.81Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CG 3.22Å; L43-L47 PolarHBondContact O-N 3.36Å; F44-L47 HydrophobicContact CD1-CD1 4.22Å; F44-L47 HydrophobicContact CE1-CD1 4.24Å; F44-L47 HydrophobicContact CG-CD1 4.48Å; F44-L47 PolarHBondContact O-N 2.98Å; L47-T50 PolarHBondContact O-OG1 2.87Å; L47-K51 PolarHBondContact O-N 3.27Å; L47-L52 HydrophobicContact CD2-CB 4.14Å; L47-L52 HydrophobicContact CD2-CD1 4.32Å; L47-L52 PolarHBondContact O-N 2.82Å; L47-V53 HydrophobicContact CB-CB 4.22Å; L47-V53 HydrophobicContact CB-CG2 4.2Å; L47-V53 HydrophobicContact CD2-CG2 4.01Å; L47-V53 HydrophobicContact CG-CG2 4.5Å; L47-V53 PolarHBondContact O-N 3.49Å; L47-L80 HydrophobicContact CD1-CD1 3.51Å; L47-L80 HydrophobicContact CD2-CD1 3.97Å; L47-L80 HydrophobicContact CG-CD1 4.43Å; L47-V82 HydrophobicContact CD2-CG1 4.31Å; L47-L116 HydrophobicContact CD2-CD1 4.24Å; L47-L116 HydrophobicContact CD2-CD2 3.79Å; L47-L116 HydrophobicContact CG-CD2 3.97Å |
| 48 | M | 96.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73 | -43.3 | 178.1 | -68.4 | -177.3 | -67.4 | 0 | 0 | 111.6 | F44 A46 T50 K51 | F44-M48 HydrophobicContact CB-CE 4.27Å; F44-M48 WeakPolarHBondContact O-CB 3.47Å; F44-M48 WeakPolarHBondContact O-CE 3.42Å; F44-M48 WeakPolarHBondContact O-CG 3.39Å; F44-M48 PolarHBondContact O-N 3.29Å; A46-M48 PolarHBondContact O-N 2.84Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.88Å; M48-K51 PolarHBondContact O-N 2.87Å |
| 49 | K | 97.3 | Very high | 95.2 | Very high | 153 Ų | 153 | 46.9 Ų | 46.9 | 67% | 0.665 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.3 | -38.6 | 177.9 | -177.8 | 173.4 | 178.5 | -176.9 | 0 | 112.2 | R45 A46 K51 C119 | R45-K49 WeakPolarHBondContact O-CB 3.33Å; R45-K49 PolarHBondContact O-N 3Å; A46-K49 PolarHBondContact O-N 3.32Å; K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 2.74Å; K49-C119 HydrophobicContact CD-CB 4.38Å |
| 50 | T | 96.7 | Very high | 95.1 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 0 | 177.6 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | A46 L47 M48 L52 I115 C119 | A46-T50 WeakPolarHBondContact O-CB 3.41Å; A46-T50 VanDerWaalsContact O-CG2 3.27Å; A46-T50 WeakPolarHBondContact O-CG2 3.25Å; A46-T50 PolarHBondContact O-N 3.24Å; A46-T50 PolarHBondContact O-OG1 3.14Å; L47-T50 PolarHBondContact O-OG1 2.87Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.88Å; T50-L52 PolarHBondContact O-N 2.87Å; T50-I115 HydrophobicContact CG2-CG2 3.59Å; T50-I115 WeakPolarHBondContact CG2-O 3.12Å; T50-C119 HydrophobicContact CG2-CB 4.22Å |
| 51 | K | 94.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 35.5 | -179.2 | -58.9 | -179 | -179.3 | -179.4 | 0 | 112.1 | L3 L5 L47 M48 K49 R83 | L3-K51 PolarHBondContact O-NZ 3.12Å; L5-K51 HydrophobicContact CD1-CB 3.54Å; L5-K51 HydrophobicContact CD1-CG 4.18Å; L5-K51 WeakPolarHBondContact CD1-O 3.29Å; L5-K51 HydrophobicContact CG-CB 4.06Å; L47-K51 PolarHBondContact O-N 3.27Å; M48-K51 PolarHBondContact O-N 2.87Å; K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 2.74Å; K51-R83 PolarHBondContact O-NE 3.44Å; K51-R83 VanDerWaalsContact O-NE 3.15Å |
| 52 | L | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -84.9 | -26.9 | 170.4 | -71.2 | 177.6 | 0 | 0 | 0 | 111.4 | L47 T50 V82 R83 L110 Y112 I115 L116 | L47-L52 HydrophobicContact CD2-CB 4.14Å; L47-L52 HydrophobicContact CD2-CD1 4.32Å; L47-L52 PolarHBondContact O-N 2.82Å; T50-L52 PolarHBondContact O-N 2.87Å; L52-V82 HydrophobicContact CB-CB 4.44Å; L52-V82 CarbonylContact O-C 3.6Å; L52-V82 WeakPolarHBondContact O-CA 3.18Å; L52-R83 HydrophobicContact CD2-CB 4.43Å; L52-R83 PolarHBondContact O-N 3.42Å; L52-L110 HydrophobicContact CD2-CD1 3.92Å; L52-Y112 HydrophobicContact CD1-CD1 3.93Å; L52-Y112 HydrophobicContact CD2-CD1 3.86Å; L52-Y112 HydrophobicContact CD2-CE1 3.83Å; L52-I115 HydrophobicContact CD1-CG2 4.02Å; L52-I115 HydrophobicContact CG-CG2 4.44Å; L52-L116 HydrophobicContact CD1-CD1 4.36Å; L52-L116 HydrophobicContact CD1-CD2 3.87Å; L52-L116 HydrophobicContact CD1-CG 3.92Å |
| 53 | V | 94.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -141 | 141.7 | -178.8 | 177 | 0 | 0 | 0 | 0 | 109.2 | L47 S55 A59 L80 N81 V82 | L47-V53 HydrophobicContact CB-CB 4.22Å; L47-V53 HydrophobicContact CB-CG2 4.2Å; L47-V53 HydrophobicContact CD2-CG2 4.01Å; L47-V53 HydrophobicContact CG-CG2 4.5Å; L47-V53 PolarHBondContact O-N 3.49Å; V53-S55 WeakPolarHBondContact CG1-O 3.04Å; V53-A59 HydrophobicContact CG1-CB 3.63Å; V53-A59 HydrophobicContact CG2-CB 4.47Å; V53-L80 HydrophobicContact CG2-CD1 4.21Å; V53-N81 WeakPolarHBondContact CG2-O 3.1Å; V53-V82 HydrophobicContact CG2-CG1 4.1Å | ||
| 54 | E | 89.7 | Confident | 95 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -74.8 | -51.2 | 174.4 | -78.3 | 163.9 | -119.3 | 0 | 0 | 113.3 | L5 Y10 K58 R95 | L5-E54 HydrophobicContact CB-CG 4.32Å; L5-E54 HydrophobicContact CD1-CG 4.47Å; Y10-E54 WeakPolarHBondContact CE1-OE1 3.34Å; Y10-E54 PolarHBondContact OH-OE1 2.82Å; E54-K58 HydrophobicContact CB-CD 4.26Å; E54-K58 VanDerWaalsContact OE2-CD 3.27Å; E54-K58 WeakPolarHBondContact OE2-CD 3.14Å; E54-K58 IonicContact OE2-NZ 3.23Å; E54-K58 PolarHBondContact OE2-NZ 3.37Å; E54-R95 WeakPolarHBondContact OE1-CD 3.48Å; E54-R95 IonicContact OE1-CZ 3.34Å; E54-R95 IonicContact OE1-NH1 2.64Å; E54-R95 PolarHBondContact OE1-NH1 3.12Å |
| 55 | S | 91.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | trans | -150.8 | 166.1 | -178.7 | 87.7 | 0 | 0 | 0 | 0 | 110.3 | V53 E57 K58 A59 | V53-S55 WeakPolarHBondContact CG1-O 3.04Å; S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 WeakPolarHBondContact CB-OE2 3.22Å; S55-E57 PolarHBondContact O-N 2.76Å; S55-E57 PolarHBondContact OG-N 3.34Å; S55-E57 PolarHBondContact OG-OE2 2.77Å; S55-K58 PolarHBondContact OG-N 2.78Å; S55-A59 PolarHBondContact O-N 3.37Å | ||
| 56 | R | 91.2 | Very high | 94.6 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -60.6 | -43.1 | 177.7 | 169.3 | 164.5 | 179.9 | 59.7 | 2.2 | 112.7 | E40 F44 A59 | E40-R56 IonicContact OE1-CZ 2.72Å; E40-R56 IonicContact OE1-NE 2.85Å; E40-R56 IonicContact OE1-NH1 3.52Å; E40-R56 PolarHBondContact OE1-NH1 2.88Å; E40-R56 IonicContact OE1-NH2 3.78Å; E40-R56 PolarHBondContact OE1-NH2 2.72Å; F44-R56 HydrophobicContact CD1-CB 4Å; F44-R56 VanDerWaalsContact CE1-CA 3.46Å; F44-R56 HydrophobicContact CE1-CB 3.82Å; F44-R56 HydrophobicContact CE1-CG 4.13Å; F44-R56 HydrophobicContact CE2-CG 4.33Å; F44-R56 HydrophobicContact CZ-CB 4.18Å; F44-R56 HydrophobicContact CZ-CG 3.97Å; F44-R56 VanDerWaalsContact CZ-NH1 3.32Å; R56-A59 WeakPolarHBondContact O-CB 3.49Å; R56-A59 PolarHBondContact O-N 2.86Å |
| 57 | E | 91.5 | Very high | 94.5 | Very high | 147 Ų | 147 | 54.4 Ų | 54.4 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -66.3 | -40.9 | -175.1 | -54.9 | 68.4 | -142.9 | 0 | 0 | 110.4 | S55 A59 | S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 WeakPolarHBondContact CB-OE2 3.22Å; S55-E57 PolarHBondContact O-N 2.76Å; S55-E57 PolarHBondContact OG-N 3.34Å; S55-E57 PolarHBondContact OG-OE2 2.77Å; E57-A59 PolarHBondContact O-N 3.36Å |
| 58 | K | 91 | Very high | 94.3 | Very high | 120 Ų | 120 | 55.8 Ų | 55.8 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -77.7 | -5 | 178.2 | -64.3 | -172.7 | -176.7 | -173.5 | 0 | 114.1 | E54 S55 R95 | E54-K58 HydrophobicContact CB-CD 4.26Å; E54-K58 VanDerWaalsContact OE2-CD 3.27Å; E54-K58 WeakPolarHBondContact OE2-CD 3.14Å; E54-K58 IonicContact OE2-NZ 3.23Å; E54-K58 PolarHBondContact OE2-NZ 3.37Å; S55-K58 PolarHBondContact OG-N 2.78Å; K58-R95 PolarHBondContact O-NH2 3.39Å |
| 59 | A | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -84.4 | -14.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F44 V53 S55 R56 E57 F61 L80 N81 | F44-A59 HydrophobicContact CE1-CB 4.04Å; F44-A59 HydrophobicContact CZ-CB 4.32Å; V53-A59 HydrophobicContact CG1-CB 3.63Å; V53-A59 HydrophobicContact CG2-CB 4.47Å; S55-A59 PolarHBondContact O-N 3.37Å; R56-A59 WeakPolarHBondContact O-CB 3.49Å; R56-A59 PolarHBondContact O-N 2.86Å; E57-A59 PolarHBondContact O-N 3.36Å; A59-F61 VanDerWaalsContact C-N 3.3Å; A59-F61 HydrophobicContact CB-CB 4.33Å; A59-F61 PolarHBondContact O-N 2.78Å; A59-L80 HydrophobicContact CB-CB 4.36Å; A59-L80 CarbonylContact O-C 3.6Å; A59-L80 WeakPolarHBondContact O-CA 3.25Å; A59-L80 WeakPolarHBondContact O-CB 3.27Å; A59-N81 PolarHBondContact O-N 2.81Å |
| 60 | D | 94.9 | Very high | 94.2 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 52 | -168.6 | -178 | 44.6 | 0 | 0 | 0 | 112.1 | R14 H62 | R14-D60 VanDerWaalsContact CZ-O 3.3Å; R14-D60 IonicContact CZ-OD2 3.77Å; R14-D60 PolarHBondContact NH1-O 3Å; R14-D60 IonicContact NH1-OD2 3.63Å; R14-D60 PolarHBondContact NH1-OD2 2.78Å; R14-D60 PolarHBondContact NH2-O 2.92Å; R14-D60 VanDerWaalsContact NH2-O 3.12Å; R14-D60 IonicContact NH2-OD2 3.64Å; R14-D60 PolarHBondContact NH2-OD2 3.38Å; D60-H62 IonicContact OD1-CE1 2.69Å; D60-H62 IonicContact OD1-NE2 3.49Å; D60-H62 IonicContact OD2-CE1 2.7Å |
| 61 | F | 97 | Very high | 94.3 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | trans | -79.9 | 125.3 | -167.9 | 176.5 | -93 | 0 | 0 | 0 | 113.2 | F29 E40 L43 F44 A59 I63 V78 S79 L80 | F29-F61 HydrophobicContact CE1-CE1 4.27Å; F29-F61 AromaticContact CE1-CZ 3.98Å; F29-F61 HydrophobicContact CE1-CZ 3.98Å; F29-F61 HydrophobicContact CZ-CZ 4.19Å; E40-F61 HydrophobicContact CG-CE1 4.24Å; E40-F61 HydrophobicContact CG-CZ 4.41Å; E40-F61 WeakPolarHBondContact OE1-CE1 3.28Å; L43-F61 HydrophobicContact CD2-CE2 3.87Å; L43-F61 HydrophobicContact CD2-CZ 4.22Å; F44-F61 HydrophobicContact CE2-CB 4.35Å; F44-F61 HydrophobicContact CE2-CD1 4.02Å; F44-F61 AromaticContact CE2-CD2 3.67Å; F44-F61 HydrophobicContact CE2-CD2 3.67Å; F44-F61 HydrophobicContact CE2-CE1 4.09Å; F44-F61 AromaticContact CE2-CE2 3.8Å; F44-F61 HydrophobicContact CE2-CE2 3.8Å; F44-F61 AromaticContact CE2-CG 3.77Å; F44-F61 HydrophobicContact CE2-CG 3.77Å; F44-F61 AromaticContact CE2-CZ 3.99Å; F44-F61 HydrophobicContact CE2-CZ 3.99Å; F44-F61 HydrophobicContact CZ-CB 3.74Å; F44-F61 HydrophobicContact CZ-CD1 4.27Å; F44-F61 AromaticContact CZ-CD2 3.57Å; F44-F61 HydrophobicContact CZ-CD2 3.57Å; F44-F61 HydrophobicContact CZ-CE2 4.16Å; F44-F61 AromaticContact CZ-CG 3.61Å; F44-F61 HydrophobicContact CZ-CG 3.61Å; A59-F61 VanDerWaalsContact C-N 3.3Å; A59-F61 HydrophobicContact CB-CB 4.33Å; A59-F61 PolarHBondContact O-N 2.78Å; F61-I63 HydrophobicContact CD1-CG2 4.15Å; F61-I63 HydrophobicContact CE1-CG2 3.2Å; F61-I63 HydrophobicContact CE2-CG2 4.44Å; F61-I63 HydrophobicContact CZ-CG2 3.38Å; F61-V78 HydrophobicContact CE2-CB 3.72Å; F61-V78 HydrophobicContact CE2-CG1 3.94Å; F61-V78 HydrophobicContact CE2-CG2 3.96Å; F61-V78 HydrophobicContact CZ-CB 4.07Å; F61-V78 HydrophobicContact CZ-CG1 3.8Å; F61-S79 CarbonylContact C-O 3.47Å; F61-S79 WeakPolarHBondContact CA-O 3.42Å; F61-L80 HydrophobicContact CB-CB 4.47Å; F61-L80 HydrophobicContact CD2-CB 4.11Å; F61-L80 HydrophobicContact CD2-CD1 4.17Å | ||
| 62 | H | 97.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 25% | 0.25 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.8 | 173.5 | -58.7 | 145.4 | 0 | 0 | 0 | 111.9 | R14 D60 V78 S79 S137 | R14-H62 PolarHBondContact NH2-ND1 3.26Å; R14-H62 VanDerWaalsContact NH2-ND1 3.16Å; D60-H62 IonicContact OD1-CE1 2.69Å; D60-H62 IonicContact OD1-NE2 3.49Å; D60-H62 IonicContact OD2-CE1 2.7Å; H62-V78 CarbonylContact O-C 3.52Å; H62-V78 WeakPolarHBondContact O-CA 3.48Å; H62-V78 WeakPolarHBondContact O-CB 3.46Å; H62-S79 PolarHBondContact N-O 3.23Å; H62-S79 PolarHBondContact O-N 2.71Å; H62-S137 WeakPolarHBondContact ND1-CB 3.28Å; H62-S137 PolarHBondContact ND1-OG 3.25Å |
| 63 | I | 96.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.1 | 177.2 | 55 | 166.7 | 0 | 0 | 0 | 110.6 | F29 C30 F61 R66 V78 R139 | F29-I63 HydrophobicContact CD1-CD1 4.04Å; F29-I63 HydrophobicContact CD1-CG2 4Å; F29-I63 HydrophobicContact CE1-CB 4.31Å; F29-I63 HydrophobicContact CE1-CD1 4.39Å; F29-I63 HydrophobicContact CE1-CG2 3.26Å; F29-I63 HydrophobicContact CZ-CG2 3.78Å; C30-I63 VanDerWaalsContact SG-CD1 3.5Å; F61-I63 HydrophobicContact CD1-CG2 4.15Å; F61-I63 HydrophobicContact CE1-CG2 3.2Å; F61-I63 HydrophobicContact CE2-CG2 4.44Å; F61-I63 HydrophobicContact CZ-CG2 3.38Å; I63-R66 HydrophobicContact CD1-CB 4.45Å; I63-R66 HydrophobicContact CD1-CG 3.43Å; I63-R66 VanDerWaalsContact CD1-CG 3.43Å; I63-V78 HydrophobicContact CB-CG1 4.35Å; I63-V78 HydrophobicContact CG2-CB 4.4Å; I63-V78 HydrophobicContact CG2-CG1 3.58Å; I63-R139 WeakPolarHBondContact O-CA 3.36Å; I63-R139 WeakPolarHBondContact O-CB 3.24Å |
| 64 | C | 94.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -69.1 | -36.4 | 178.6 | 88.8 | 0 | 0 | 0 | 0 | 111.8 | Q76 V77 A138 C142 R145 T281 F283 | C64-Q76 PolarHBondContact SG-OE1 2.74Å; C64-V77 HydrophobicContact CB-CB 4.38Å; C64-V77 WeakPolarHBondContact CB-O 3.26Å; C64-V77 PolarHBondContact N-O 2.88Å; C64-A138 WeakPolarHBondContact CA-O 3.41Å; C64-A138 HydrophobicContact CB-CB 4.28Å; C64-A138 WeakPolarHBondContact CB-O 3.23Å; C64-C142 HydrophobicContact CB-CB 4.16Å; C64-R145 VanDerWaalsContact O-CZ 3.22Å; C64-R145 PolarHBondContact O-NE 3.39Å; C64-R145 PolarHBondContact O-NH2 3.11Å; C64-T281 WeakPolarHBondContact SG-CG2 3.09Å; C64-F283 HydrophobicContact CB-CZ 3.8Å |
| 65 | G | 91.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | trans | -162.6 | 147.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q76 | G65-Q76 PolarHBondContact O-NE2 3.2Å; G65-Q76 PolarHBondContact O-OE1 2.99Å | ||
| 66 | R | 92.3 | Very high | 95.4 | Very high | 176 Ų | 176 | 50.6 Ų | 50.6 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -78.1 | 135.8 | 171.7 | -65.7 | -179.7 | 176.9 | 166.1 | -0.8 | 108.7 | C30 I63 | C30-R66 PolarHBondContact SG-NE 2.91Å; C30-R66 VanDerWaalsContact SG-NE 3.35Å; I63-R66 HydrophobicContact CD1-CB 4.45Å; I63-R66 HydrophobicContact CD1-CG 3.43Å; I63-R66 VanDerWaalsContact CD1-CG 3.43Å |
| 67 | T | 96.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -99.1 | 143.8 | 162.1 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | Y21 F29 V71 L278 | Y21-T67 WeakPolarHBondContact OH-CG2 3.42Å; Y21-T67 PolarHBondContact OH-OG1 2.95Å; F29-T67 PolarHBondContact N-O 3.4Å; T67-V71 HydrophobicContact CG2-CG1 3.9Å; T67-L278 HydrophobicContact CG2-CB 4.37Å; T67-L278 HydrophobicContact CG2-CD2 4.48Å |
| 68 | D | 94.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 172.6 | 178.1 | -57.6 | -38.4 | 0 | 0 | 0 | 111.2 | G28 F70 V71 H226 R229 | G28-D68 WeakPolarHBondContact CA-O 3.23Å; D68-F70 PolarHBondContact O-N 3.12Å; D68-V71 HydrophobicContact CB-CG2 3.82Å; D68-V71 WeakPolarHBondContact O-CB 3.32Å; D68-V71 PolarHBondContact O-N 3.06Å; D68-H226 IonicContact OD1-CE1 3.26Å; D68-H226 PolarHBondContact OD1-CE1 2.85Å; D68-H226 IonicContact OD1-ND1 3.31Å; D68-H226 PolarHBondContact OD1-ND1 2.69Å; D68-H226 IonicContact OD2-CE1 2.89Å; D68-H226 IonicContact OD2-CG 3.08Å; D68-H226 IonicContact OD2-ND1 3.12Å; D68-H226 PolarHBondContact OD2-ND1 3.09Å; D68-R229 WeakPolarHBondContact OD2-CD 3.37Å |
| 69 | K | 94.7 | Very high | 96.4 | Very high | 88 Ų | 88 | 33.3 Ų | 33.3 | 38% | 0.383 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 135.9 | 168.2 | 175.7 | 162.2 | 178.5 | 153.9 | 0 | 110.8 | D27 V71 | D27-K69 WeakPolarHBondContact OD1-CD 3.38Å; D27-K69 VanDerWaalsContact OD1-CE 3.25Å; D27-K69 WeakPolarHBondContact OD1-CE 3.5Å; D27-K69 IonicContact OD1-NZ 2.9Å; D27-K69 PolarHBondContact OD1-NZ 3.08Å; K69-V71 PolarHBondContact O-N 2.97Å |
| 70 | F | 96.7 | Very high | 96.6 | Very high | 57 Ų | 57 | 33.3 Ų | 33.3 | 25% | 0.25 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -5.9 | -179.7 | -48.3 | -41.3 | 0 | 0 | 0 | 117.4 | G23 W24 F26 D68 E274 | G23-F70 CarbonylContact O-C 3.58Å; G23-F70 VanDerWaalsContact O-CA 3.25Å; G23-F70 WeakPolarHBondContact O-CA 3.38Å; W24-F70 WeakPolarHBondContact O-CD1 3.44Å; W24-F70 WeakPolarHBondContact O-CE1 3.1Å; F26-F70 PolarHBondContact O-N 2.95Å; D68-F70 PolarHBondContact O-N 3.12Å; F70-E274 HydrophobicContact CB-CG 3.8Å; F70-E274 HydrophobicContact CD2-CG 4.28Å; F70-E274 WeakPolarHBondContact CD2-OE1 3.48Å; F70-E274 WeakPolarHBondContact CD2-OE2 3.47Å; F70-E274 WeakPolarHBondContact CE2-OE1 3.29Å; F70-E274 HydrophobicContact CG-CG 4.2Å |
| 71 | V | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | trans | -79.9 | 132.5 | -177.6 | 176 | 0 | 0 | 0 | 0 | 110.9 | Y21 G23 T67 D68 K69 L276 | Y21-V71 WeakPolarHBondContact CE2-O 3Å; G23-V71 WeakPolarHBondContact CA-O 3.42Å; T67-V71 HydrophobicContact CG2-CG1 3.9Å; D68-V71 HydrophobicContact CB-CG2 3.82Å; D68-V71 WeakPolarHBondContact O-CB 3.32Å; D68-V71 PolarHBondContact O-N 3.06Å; K69-V71 PolarHBondContact O-N 2.97Å; V71-L276 HydrophobicContact CG1-CB 4.14Å; V71-L276 HydrophobicContact CG1-CD2 4.06Å; V71-L276 HydrophobicContact CG1-CG 3.86Å; V71-L276 WeakPolarHBondContact CG1-O 3.4Å; V71-L276 HydrophobicContact CG2-CB 4.15Å; V71-L276 HydrophobicContact CG2-CD2 3.9Å; V71-L276 HydrophobicContact CG2-CG 4.31Å | ||
| 72 | S | 98.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 167.1 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | Y21 G23 L276 I277 L278 | Y21-S72 WeakPolarHBondContact O-CA 3.4Å; Y21-S72 WeakPolarHBondContact O-CB 3.14Å; G23-S72 PolarHBondContact N-OG 3.04Å; S72-L276 PolarHBondContact N-O 3.3Å; S72-I277 WeakPolarHBondContact O-CA 3.48Å; S72-L278 PolarHBondContact O-N 3.18Å |
| 73 | A | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 149.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | A20 Y21 Q76 L278 | A20-A73 CarbonylContact C-O 3.59Å; A20-A73 VanDerWaalsContact CA-O 3.28Å; A20-A73 WeakPolarHBondContact CA-O 3.37Å; Y21-A73 HydrophobicContact CD1-CB 4.07Å; Y21-A73 HydrophobicContact CD2-CB 4.37Å; Y21-A73 HydrophobicContact CE1-CB 3.49Å; Y21-A73 VanDerWaalsContact CE1-CB 3.49Å; Y21-A73 HydrophobicContact CE2-CB 3.83Å; Y21-A73 HydrophobicContact CG-CB 4.48Å; Y21-A73 PolarHBondContact N-O 2.99Å; Y21-A73 PolarHBondContact O-N 2.64Å; A73-Q76 HydrophobicContact CB-CB 3.78Å; A73-L278 WeakPolarHBondContact CA-O 3.14Å; A73-L278 HydrophobicContact CB-CB 3.84Å; A73-L278 HydrophobicContact CB-CD2 4.42Å; A73-L278 HydrophobicContact CB-CG 4.45Å |
| 74 | L | 97.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 37% | 0.366 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -38.3 | 170.6 | 179.4 | 62.3 | 0 | 0 | 0 | 112.2 | L19 A20 I127 I277 L278 | L19-L74 CarbonylContact O-C 3.53Å; L19-L74 VanDerWaalsContact O-O 3.06Å; A20-L74 HydrophobicContact CB-CD1 4.05Å; L74-I127 HydrophobicContact CD1-CD1 4.45Å; L74-I127 WeakPolarHBondContact O-CD1 3.34Å; L74-I277 HydrophobicContact CB-CD1 4.49Å; L74-L278 PolarHBondContact N-O 2.77Å |
| 75 | R | 97.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 32.5 Ų | 32.5 | 32% | 0.321 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 49.5 | -174.8 | -58.7 | -177.5 | 177.3 | -102 | 2.6 | 110.4 | M18 V77 C279 N280 T281 | M18-R75 HydrophobicContact CG-CB 4.25Å; M18-R75 HydrophobicContact SD-CB 4.01Å; M18-R75 HydrophobicContact SD-CG 3.76Å; R75-V77 PolarHBondContact O-N 3.11Å; R75-C279 WeakPolarHBondContact CD-O 3.36Å; R75-C279 WeakPolarHBondContact CG-O 3.02Å; R75-N280 VanDerWaalsContact CD-OD1 3.23Å; R75-N280 WeakPolarHBondContact CD-OD1 3.35Å; R75-T281 WeakPolarHBondContact O-CG2 3.32Å; R75-T281 PolarHBondContact O-OG1 2.61Å |
| 76 | Q | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.7 | 171.3 | 173.3 | 69.3 | -92.9 | 0 | 0 | 108.6 | L19 Y21 F29 C64 G65 A73 L278 | L19-Q76 HydrophobicContact CB-CB 4.29Å; L19-Q76 PolarHBondContact N-O 3.09Å; L19-Q76 PolarHBondContact O-N 3Å; Y21-Q76 HydrophobicContact CE1-CB 3.72Å; Y21-Q76 HydrophobicContact CE1-CG 3.95Å; Y21-Q76 PolarHBondContact OH-NE2 3.39Å; F29-Q76 HydrophobicContact CD2-CG 4.1Å; F29-Q76 HydrophobicContact CE2-CG 3.71Å; C64-Q76 PolarHBondContact SG-OE1 2.74Å; G65-Q76 PolarHBondContact O-NE2 3.2Å; G65-Q76 PolarHBondContact O-OE1 2.99Å; A73-Q76 HydrophobicContact CB-CB 3.78Å; Q76-L278 HydrophobicContact CB-CD2 4.26Å |
| 77 | V | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.5 | -179 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | A16 L17 M18 C64 R75 A138 T281 F283 W288 | A16-V77 HydrophobicContact CB-CG1 4.07Å; L17-V77 WeakPolarHBondContact O-CA 3.31Å; M18-V77 HydrophobicContact CG-CG2 4.37Å; C64-V77 HydrophobicContact CB-CB 4.38Å; C64-V77 WeakPolarHBondContact CB-O 3.26Å; C64-V77 PolarHBondContact N-O 2.88Å; R75-V77 PolarHBondContact O-N 3.11Å; V77-A138 HydrophobicContact CG1-CB 4.09Å; V77-T281 WeakPolarHBondContact CG2-OG1 3.38Å; V77-F283 HydrophobicContact CB-CE2 3.58Å; V77-F283 HydrophobicContact CB-CZ 3.75Å; V77-F283 HydrophobicContact CG1-CE2 3.81Å; V77-F283 HydrophobicContact CG1-CZ 3.75Å; V77-F283 HydrophobicContact CG2-CD2 4.42Å; V77-F283 HydrophobicContact CG2-CE2 3.65Å; V77-F283 HydrophobicContact CG2-CZ 4.34Å; V77-W288 HydrophobicContact CG1-CH2 3.96Å; V77-W288 HydrophobicContact CG2-CH2 3.68Å; V77-W288 HydrophobicContact CG2-CZ2 3.99Å |
| 78 | V | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.2 | 169.6 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | A16 L17 L19 F29 L43 F61 H62 I63 L80 | A16-V78 CarbonylContact C-O 3.52Å; A16-V78 VanDerWaalsContact CA-O 3.27Å; A16-V78 WeakPolarHBondContact CA-O 3.49Å; L17-V78 HydrophobicContact CB-CG2 3.86Å; L17-V78 HydrophobicContact CG-CG2 4.49Å; L17-V78 PolarHBondContact N-O 3.47Å; L17-V78 PolarHBondContact O-N 3.29Å; L19-V78 HydrophobicContact CD1-CB 4.34Å; L19-V78 HydrophobicContact CD1-CG1 3.87Å; L19-V78 HydrophobicContact CD1-CG2 3.63Å; F29-V78 HydrophobicContact CE1-CG1 4.49Å; F29-V78 HydrophobicContact CE2-CG1 4.48Å; F29-V78 HydrophobicContact CZ-CG1 3.74Å; L43-V78 HydrophobicContact CD2-CG2 4.25Å; F61-V78 HydrophobicContact CE2-CB 3.72Å; F61-V78 HydrophobicContact CE2-CG1 3.94Å; F61-V78 HydrophobicContact CE2-CG2 3.96Å; F61-V78 HydrophobicContact CZ-CB 4.07Å; F61-V78 HydrophobicContact CZ-CG1 3.8Å; H62-V78 CarbonylContact O-C 3.52Å; H62-V78 WeakPolarHBondContact O-CA 3.48Å; H62-V78 WeakPolarHBondContact O-CB 3.46Å; I63-V78 HydrophobicContact CB-CG1 4.35Å; I63-V78 HydrophobicContact CG2-CB 4.4Å; I63-V78 HydrophobicContact CG2-CG1 3.58Å; V78-L80 HydrophobicContact CG2-CD2 4.36Å |
| 79 | S | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.4 | 171.7 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | V15 F61 H62 A138 | V15-S79 WeakPolarHBondContact O-CA 3.45Å; F61-S79 CarbonylContact C-O 3.47Å; F61-S79 WeakPolarHBondContact CA-O 3.42Å; H62-S79 PolarHBondContact N-O 3.23Å; H62-S79 PolarHBondContact O-N 2.71Å; S79-A138 PolarHBondContact OG-N 3.31Å |
| 80 | L | 98.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 164.4 | -176.4 | 71.3 | 175.7 | 0 | 0 | 0 | 110.5 | R14 V15 L17 L47 V53 A59 F61 V78 V82 | R14-L80 VanDerWaalsContact NH1-CA 3.35Å; V15-L80 HydrophobicContact CG2-CD2 3.81Å; V15-L80 PolarHBondContact N-O 3.41Å; V15-L80 PolarHBondContact O-N 3.47Å; V15-L80 VanDerWaalsContact O-N 3.15Å; L17-L80 HydrophobicContact CD1-CD2 3.8Å; L17-L80 HydrophobicContact CG-CD2 3.95Å; L47-L80 HydrophobicContact CD1-CD1 3.51Å; L47-L80 HydrophobicContact CD2-CD1 3.97Å; L47-L80 HydrophobicContact CG-CD1 4.43Å; V53-L80 HydrophobicContact CG2-CD1 4.21Å; A59-L80 HydrophobicContact CB-CB 4.36Å; A59-L80 CarbonylContact O-C 3.6Å; A59-L80 WeakPolarHBondContact O-CA 3.25Å; A59-L80 WeakPolarHBondContact O-CB 3.27Å; F61-L80 HydrophobicContact CB-CB 4.47Å; F61-L80 HydrophobicContact CD2-CB 4.11Å; F61-L80 HydrophobicContact CD2-CD1 4.17Å; V78-L80 HydrophobicContact CG2-CD2 4.36Å; L80-V82 HydrophobicContact CD1-CG1 4.07Å; L80-V82 HydrophobicContact CD2-CG1 4.22Å; L80-V82 HydrophobicContact CG-CG1 3.8Å |
| 81 | N | 96.9 | Very high | 91.7 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126 | 170.1 | -63.4 | -25.9 | 0 | 0 | 0 | 109.9 | Q12 R13 R14 V53 A59 | Q12-N81 VanDerWaalsContact OE1-CB 3.32Å; R13-N81 WeakPolarHBondContact O-CA 3.31Å; R14-N81 WeakPolarHBondContact CD-OD1 3.35Å; R14-N81 PolarHBondContact NH1-OD1 3.03Å; V53-N81 WeakPolarHBondContact CG2-O 3.1Å; A59-N81 PolarHBondContact O-N 2.81Å |
| 82 | V | 96.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.9 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | Q12 R13 V15 L47 L52 V53 L80 S84 Y112 | Q12-V82 CarbonylContact C-O 3.6Å; Q12-V82 WeakPolarHBondContact CA-O 3.44Å; Q12-V82 WeakPolarHBondContact CB-O 3.43Å; R13-V82 HydrophobicContact CG-CG2 4.12Å; R13-V82 PolarHBondContact N-O 2.93Å; R13-V82 PolarHBondContact O-N 3.41Å; V15-V82 HydrophobicContact CB-CG2 4.46Å; V15-V82 HydrophobicContact CG1-CG2 3.78Å; V15-V82 HydrophobicContact CG2-CG1 4.05Å; V15-V82 HydrophobicContact CG2-CG2 3.77Å; L47-V82 HydrophobicContact CD2-CG1 4.31Å; L52-V82 HydrophobicContact CB-CB 4.44Å; L52-V82 CarbonylContact O-C 3.6Å; L52-V82 WeakPolarHBondContact O-CA 3.18Å; V53-V82 HydrophobicContact CG2-CG1 4.1Å; L80-V82 HydrophobicContact CD1-CG1 4.07Å; L80-V82 HydrophobicContact CD2-CG1 4.22Å; L80-V82 HydrophobicContact CG-CG1 3.8Å; V82-S84 PolarHBondContact O-N 2.97Å; V82-Y112 HydrophobicContact CB-CE1 4.25Å; V82-Y112 HydrophobicContact CG2-CD1 4.25Å; V82-Y112 HydrophobicContact CG2-CE1 3.56Å; V82-Y112 HydrophobicContact CG2-CE2 4.27Å |
| 83 | R | 94.7 | Very high | 90 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 134.4 | 169.4 | -178.5 | 175.7 | 63.5 | 159.8 | -1.7 | 110.8 | Y10 K51 L52 Y112 | Y10-R83 HydrophobicContact CD2-CB 3.95Å; Y10-R83 HydrophobicContact CD2-CG 3.78Å; Y10-R83 HydrophobicContact CE2-CB 3.97Å; Y10-R83 HydrophobicContact CE2-CG 4.29Å; Y10-R83 HydrophobicContact CG-CG 4.49Å; K51-R83 PolarHBondContact O-NE 3.44Å; K51-R83 VanDerWaalsContact O-NE 3.15Å; L52-R83 HydrophobicContact CD2-CB 4.43Å; L52-R83 PolarHBondContact O-N 3.42Å; R83-Y112 WeakPolarHBondContact O-CE1 3.44Å; R83-Y112 PolarHBondContact O-OH 3.49Å |
| 84 | S | 93.2 | Very high | 88.9 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | trans | -110.7 | 143.4 | 178.8 | 177 | 0 | 0 | 0 | 0 | 109.7 | K11 V82 L86 E109 | K11-S84 PolarHBondContact O-N 2.83Å; V82-S84 PolarHBondContact O-N 2.97Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact OG-N 3.06Å; S84-L86 PolarHBondContact OG-O 3.18Å; S84-L86 VanDerWaalsContact OG-O 3.14Å; S84-E109 PolarHBondContact OG-OE2 3.18Å; S84-E109 VanDerWaalsContact OG-OE2 3.09Å | ||
| 85 | A | 90.3 | Very high | 87.4 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 21% | 0.207 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -81.7 | -16.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L107 E109 L110 | A85-L107 WeakPolarHBondContact O-CD1 3.13Å; A85-E109 PolarHBondContact N-OE1 2.62Å; A85-L110 HydrophobicContact CB-CD2 4.04Å; A85-L110 HydrophobicContact CB-CG 3.99Å |
| 86 | L | 86.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -92.1 | 145.6 | -173.8 | -51.9 | -175.1 | 0 | 0 | 0 | 112.5 | S84 E89 V92 L107 E109 | S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact OG-N 3.06Å; S84-L86 PolarHBondContact OG-O 3.18Å; S84-L86 VanDerWaalsContact OG-O 3.14Å; L86-E89 HydrophobicContact CD1-CB 4.28Å; L86-E89 HydrophobicContact CD1-CG 3.91Å; L86-E89 WeakPolarHBondContact CD1-OE1 3.08Å; L86-E89 WeakPolarHBondContact CD1-OE2 3.46Å; L86-V92 HydrophobicContact CB-CG2 4.49Å; L86-L107 HydrophobicContact CD2-CB 4.09Å; L86-L107 WeakPolarHBondContact CD2-O 3.41Å; L86-E109 HydrophobicContact CD1-CB 4.02Å; L86-E109 HydrophobicContact CG-CB 4.24Å; L86-E109 WeakPolarHBondContact CG-OE2 3.43Å | ||
| 87 | N | 74.2 | Confident | 83.5 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -88.1 | -44.8 | -176.6 | -71.6 | -31.2 | 0 | 0 | 0 | 113.1 | ||
| 88 | E | 73.3 | Confident | 81.3 | Confident | 182 Ų | 182 | 56.4 Ų | 56.4 | 85% | 0.85 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -141.3 | 99.6 | -173.8 | -66.4 | 180 | -179.6 | 0 | 0 | 109 | ||
| 89 | E | 77.6 | Confident | 78.9 | Confident | 108 Ų | 108 | 65.5 Ų | 65.5 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -155.6 | 169.6 | 176.1 | -94.7 | -156 | -171.5 | 0 | 0 | 111.5 | R13 L86 G91 V92 | R13-E89 IonicContact NH1-OE2 2.72Å; R13-E89 IonicContact NH2-OE2 3.61Å; L86-E89 HydrophobicContact CD1-CB 4.28Å; L86-E89 HydrophobicContact CD1-CG 3.91Å; L86-E89 WeakPolarHBondContact CD1-OE1 3.08Å; L86-E89 WeakPolarHBondContact CD1-OE2 3.46Å; E89-G91 PolarHBondContact O-N 3.27Å; E89-G91 VanDerWaalsContact O-N 3.16Å; E89-V92 HydrophobicContact CB-CG2 3.73Å; E89-V92 WeakPolarHBondContact O-CB 3.45Å; E89-V92 PolarHBondContact O-N 3Å |
| 90 | F | 79.9 | Confident | 76.3 | Confident | 128 Ų | 128 | 74.8 Ų | 74.8 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 119.5 | 175.9 | -175.7 | -109.1 | 0 | 0 | 0 | 112.2 | R13 V92 P131 S133 | R13-F90 PolarHBondContact NH2-O 3.26Å; F90-V92 VanDerWaalsContact C-N 3.33Å; F90-P131 HydrophobicContact CD1-CB 4.15Å; F90-S133 VanDerWaalsContact CE1-N 3.32Å |
| 91 | G | 79.3 | Confident | 73.8 | Confident | 7 Ų | 7 | 80 Ų | 80 | 7% | 0.072 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R13 R14 E89 | R13-G91 VanDerWaalsContact CA-O 3.28Å; R13-G91 WeakPolarHBondContact CA-O 3Å; R14-G91 PolarHBondContact N-O 3.2Å; R14-G91 VanDerWaalsContact N-O 3.07Å; E89-G91 PolarHBondContact O-N 3.27Å; E89-G91 VanDerWaalsContact O-N 3.16Å |
| 92 | V | 80.4 | Confident | 71.5 | Confident | 27 Ų | 27 | 84 Ų | 84 | 16% | 0.164 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.9 | 176.3 | -178 | 0 | 0 | 0 | 0 | 110.4 | K11 Q12 R13 L86 E89 F90 | K11-V92 HydrophobicContact CB-CG1 4.13Å; Q12-V92 CarbonylContact O-C 3.5Å; Q12-V92 WeakPolarHBondContact O-CA 3.43Å; R13-V92 HydrophobicContact CB-CG2 3.94Å; L86-V92 HydrophobicContact CB-CG2 4.49Å; E89-V92 HydrophobicContact CB-CG2 3.73Å; E89-V92 WeakPolarHBondContact O-CB 3.45Å; E89-V92 PolarHBondContact O-N 3Å; F90-V92 VanDerWaalsContact C-N 3.33Å |
| 93 | S | 81.8 | Confident | 69 | Low | 39 Ų | 39 | 94.1 Ų | 94.1 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.3 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | Q12 | Q12-S93 WeakPolarHBondContact CG-OG 3.27Å; Q12-S93 PolarHBondContact N-O 3.14Å; Q12-S93 PolarHBondContact O-N 3.12Å; Q12-S93 VanDerWaalsContact O-O 3.13Å |
| 94 | P | 74.4 | Confident | 67 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.6 | 168 | 27.6 | -31.3 | 0 | 0 | 0 | 110.3 | K11 V98 | K11-P94 HydrophobicContact CD-CB 4.27Å; P94-V98 HydrophobicContact CB-CG2 3.96Å |
| 95 | R | 67 | Low | 64.9 | Low | 31 Ų | 31 | 97.5 Ų | 97.5 | 12% | 0.117 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -92.3 | -6.7 | 173.9 | -168.8 | 172.4 | -101.9 | -131.5 | -4.2 | 113.6 | Y10 Q12 E54 K58 | Y10-R95 VanDerWaalsContact O-CB 3.31Å; Y10-R95 WeakPolarHBondContact O-CB 3.49Å; Y10-R95 PolarHBondContact O-N 3.18Å; Y10-R95 WeakPolarHBondContact OH-CD 3.35Å; Y10-R95 PolarHBondContact OH-NE 2.98Å; Y10-R95 PolarHBondContact OH-NH1 3.31Å; Q12-R95 VanDerWaalsContact CD-NE 3.32Å; Q12-R95 HydrophobicContact CG-CB 4.27Å; Q12-R95 VanDerWaalsContact OE1-CZ 3.25Å; E54-R95 WeakPolarHBondContact OE1-CD 3.48Å; E54-R95 IonicContact OE1-CZ 3.34Å; E54-R95 IonicContact OE1-NH1 2.64Å; E54-R95 PolarHBondContact OE1-NH1 3.12Å; K58-R95 PolarHBondContact O-NH2 3.39Å |
| 96 | N | 60.8 | Low | 63.3 | Low | 105 Ų | 105 | 102.5 Ų | 102.5 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -161.9 | 173.4 | 172.8 | -77.4 | -42.3 | 0 | 0 | 0 | 108.3 | A9 V98 | A9-N96 HydrophobicContact CB-CB 4.35Å; N96-V98 WeakPolarHBondContact O-CG2 3.48Å; N96-V98 PolarHBondContact O-N 3.27Å |
| 97 | E | 52.5 | Low | 62.7 | Low | 198 Ų | 198 | 105.9 Ų | 105.9 | 93% | 0.925 | 56% | 0.564 | S | S | * | * | trans | -55.2 | 96.4 | 168 | -70.4 | 176.9 | -166.4 | 0 | 0 | 109.7 | K99 | E97-K99 PolarHBondContact O-N 2.85Š| ||
| 98 | V | 53.1 | Low | 63.3 | Low | 47 Ų | 47 | 111.3 Ų | 111.3 | 29% | 0.285 | 58% | 0.584 | S | S | . | * | trans | -80.5 | 112.8 | 175.6 | -172.6 | 0 | 0 | 0 | 0 | 105.8 | A9 K11 P94 N96 E100 | A9-V98 HydrophobicContact CB-CG2 4.13Å; K11-V98 HydrophobicContact CD-CG2 4.19Å; P94-V98 HydrophobicContact CB-CG2 3.96Å; N96-V98 WeakPolarHBondContact O-CG2 3.48Å; N96-V98 PolarHBondContact O-N 3.27Å; V98-E100 PolarHBondContact O-N 2.79Å | ||
| 99 | K | 47.8 | Very low | 64.2 | Low | 191 Ų | 191 | 103.9 Ų | 103.9 | 83% | 0.83 | 55% | 0.549 | S | S | * | . | trans | -55.2 | 125.5 | 161.9 | -75.1 | -174.4 | 176.6 | -177.1 | 0 | 107 | E97 C101 | E97-K99 PolarHBondContact O-N 2.85Å; K99-C101 PolarHBondContact O-N 3.41Å | ||
| 100 | E | 44.3 | Very low | 65 | Low | 195 Ų | 195 | 100.7 Ų | 100.7 | 91% | 0.911 | 54% | 0.536 | S | S | * | . | trans | -46.7 | 105.8 | 179.3 | -68.5 | 178.4 | 170.3 | 0 | 0 | 110 | V98 | V98-E100 PolarHBondContact O-N 2.79Š| ||
| 101 | C | 44.9 | Very low | 65.8 | Low | 110 Ų | 110 | 97.1 Ų | 97.1 | 74% | 0.743 | 52% | 0.523 | S | S | * | . | trans | -94.4 | 118.4 | 166.7 | -74.8 | 0 | 0 | 0 | 0 | 107 | K99 | K99-C101 PolarHBondContact O-N 3.41Š| ||
| 102 | S | 48.8 | Very low | 66.7 | Low | 111 Ų | 111 | 96.9 Ų | 96.9 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | trans | -28.6 | 134.3 | 170.8 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | S104 | S102-S104 PolarHBondContact O-N 2.77Š| ||
| 103 | F | 44.8 | Very low | 67.6 | Low | 214 Ų | 214 | 95.6 Ų | 95.6 | 94% | 0.939 | 51% | 0.512 | S | S | * | . | trans | -11.8 | 107.6 | 165.2 | -90 | -97.6 | 0 | 0 | 0 | 114.3 | ||||
| 104 | S | 52.1 | Low | 68.3 | Low | 58 Ų | 58 | 95.7 Ų | 95.7 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | trans | -97.9 | 133.7 | 162.9 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | S102 | S102-S104 PolarHBondContact O-N 2.77Š| ||
| 105 | P | 49.1 | Very low | 69.5 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | trans | -56.7 | 159.1 | -175.6 | 24.9 | -34.8 | 0 | 0 | 0 | 111.1 | L107 | P105-L107 VanDerWaalsContact C-N 3.3Å; P105-L107 WeakPolarHBondContact O-CG 3.5Å; P105-L107 PolarHBondContact O-N 2.83Å | ||
| 106 | S | 57.4 | Low | 71 | Confident | 129 Ų | 129 | 93.1 Ų | 93.1 | 90% | 0.902 | 50% | 0.496 | S | S | * | . | trans | -37.7 | 86.1 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 107 | L | 72.6 | Confident | 72.8 | Confident | 87 Ų | 87 | 88.8 Ų | 88.8 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 138.7 | 177.7 | -72.7 | 175.9 | 0 | 0 | 0 | 106.5 | A85 L86 P105 | A85-L107 WeakPolarHBondContact O-CD1 3.13Å; L86-L107 HydrophobicContact CD2-CB 4.09Å; L86-L107 WeakPolarHBondContact CD2-O 3.41Å; P105-L107 VanDerWaalsContact C-N 3.3Å; P105-L107 WeakPolarHBondContact O-CG 3.5Å; P105-L107 PolarHBondContact O-N 2.83Å |
| 108 | K | 87.2 | Confident | 74.9 | Confident | 194 Ų | 194 | 83.5 Ų | 83.5 | 84% | 0.843 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 141 | 164.9 | -174.4 | 177 | 178.3 | 176.9 | 0 | 107.6 | ||
| 109 | E | 92.8 | Very high | 77.1 | Confident | 25 Ų | 25 | 83.4 Ų | 83.4 | 12% | 0.117 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -59 | 153.2 | 174.4 | -171.3 | 56 | -86.1 | 0 | 0 | 111.9 | R13 S84 A85 L86 D111 Y112 W129 | R13-E109 WeakPolarHBondContact CD-OE2 3.22Å; R13-E109 IonicContact CZ-OE2 2.82Å; R13-E109 IonicContact NE-OE2 3.67Å; R13-E109 IonicContact NH1-OE2 2.82Å; R13-E109 PolarHBondContact NH1-OE2 3Å; S84-E109 PolarHBondContact OG-OE2 3.18Å; S84-E109 VanDerWaalsContact OG-OE2 3.09Å; A85-E109 PolarHBondContact N-OE1 2.62Å; L86-E109 HydrophobicContact CD1-CB 4.02Å; L86-E109 HydrophobicContact CG-CB 4.24Å; L86-E109 WeakPolarHBondContact CG-OE2 3.43Å; E109-D111 PolarHBondContact O-N 3.29Å; E109-Y112 VanDerWaalsContact CD-OH 3.26Å; E109-Y112 HydrophobicContact CG-CE2 3.84Å; E109-Y112 PolarHBondContact OE1-OH 3.31Å; E109-W129 HydrophobicContact CB-CH2 4.29Å; E109-W129 HydrophobicContact CB-CZ2 4.21Å; E109-W129 HydrophobicContact CG-CH2 3.69Å; E109-W129 HydrophobicContact CG-CZ2 3.83Å |
| 110 | L | 94.5 | Very high | 79.5 | Confident | 42 Ų | 42 | 74.7 Ų | 74.7 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 133.8 | 171.3 | -59 | -178.8 | 0 | 0 | 0 | 111.7 | L52 A85 Y112 I115 | L52-L110 HydrophobicContact CD2-CD1 3.92Å; A85-L110 HydrophobicContact CB-CD2 4.04Å; A85-L110 HydrophobicContact CB-CG 3.99Å; L110-Y112 VanDerWaalsContact C-N 3.29Å; L110-Y112 HydrophobicContact CB-CD1 4.11Å; L110-Y112 HydrophobicContact CB-CE1 3.76Å; L110-Y112 HydrophobicContact CD1-CE1 4.06Å; L110-Y112 HydrophobicContact CG-CE1 4.46Å; L110-Y112 WeakPolarHBondContact O-CD2 3.36Å; L110-Y112 PolarHBondContact O-N 3.37Å; L110-I115 HydrophobicContact CB-CD1 3.96Å; L110-I115 HydrophobicContact CD2-CD1 4.47Å |
| 111 | D | 96.2 | Very high | 82 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | trans | -77.1 | 80.6 | 170.3 | -175.7 | -7.4 | 0 | 0 | 0 | 110.1 | E109 P113 S114 I115 N291 | E109-D111 PolarHBondContact O-N 3.29Å; D111-P113 VanDerWaalsContact OD1-CD 3.29Å; D111-P113 WeakPolarHBondContact OD1-CD 3.3Å; D111-S114 VanDerWaalsContact CG-CB 3.45Å; D111-S114 PolarHBondContact O-N 2.97Å; D111-S114 PolarHBondContact OD1-N 3.17Å; D111-S114 VanDerWaalsContact OD1-N 3.15Å; D111-S114 PolarHBondContact OD1-OG 2.95Å; D111-S114 VanDerWaalsContact OD2-CB 3.25Å; D111-S114 WeakPolarHBondContact OD2-CB 3.23Å; D111-S114 PolarHBondContact OD2-OG 3.17Å; D111-I115 WeakPolarHBondContact O-CB 3.11Å; D111-I115 VanDerWaalsContact O-CG1 3.28Å; D111-I115 WeakPolarHBondContact O-CG1 3.13Å; D111-I115 PolarHBondContact O-N 3.27Å; D111-N291 PolarHBondContact OD2-ND2 3.29Å | ||
| 112 | Y | 98.3 | Very high | 84.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.1 | -44.4 | -178.2 | -54.2 | -67.3 | 0 | 0 | 0 | 113.4 | R13 V15 L52 V82 R83 E109 L110 I115 L116 W129 | R13-Y112 VanDerWaalsContact CD-OH 3.25Å; R13-Y112 WeakPolarHBondContact CD-OH 3.48Å; V15-Y112 HydrophobicContact CG1-CE2 3.97Å; L52-Y112 HydrophobicContact CD1-CD1 3.93Å; L52-Y112 HydrophobicContact CD2-CD1 3.86Å; L52-Y112 HydrophobicContact CD2-CE1 3.83Å; V82-Y112 HydrophobicContact CB-CE1 4.25Å; V82-Y112 HydrophobicContact CG2-CD1 4.25Å; V82-Y112 HydrophobicContact CG2-CE1 3.56Å; V82-Y112 HydrophobicContact CG2-CE2 4.27Å; R83-Y112 WeakPolarHBondContact O-CE1 3.44Å; R83-Y112 PolarHBondContact O-OH 3.49Å; E109-Y112 VanDerWaalsContact CD-OH 3.26Å; E109-Y112 HydrophobicContact CG-CE2 3.84Å; E109-Y112 PolarHBondContact OE1-OH 3.31Å; L110-Y112 VanDerWaalsContact C-N 3.29Å; L110-Y112 HydrophobicContact CB-CD1 4.11Å; L110-Y112 HydrophobicContact CB-CE1 3.76Å; L110-Y112 HydrophobicContact CD1-CE1 4.06Å; L110-Y112 HydrophobicContact CG-CE1 4.46Å; L110-Y112 WeakPolarHBondContact O-CD2 3.36Å; L110-Y112 PolarHBondContact O-N 3.37Å; Y112-I115 PolarHBondContact O-N 2.75Å; Y112-L116 VanDerWaalsContact O-CB 3.29Å; Y112-L116 WeakPolarHBondContact O-CB 3.15Å; Y112-L116 VanDerWaalsContact O-CG 3.32Å; Y112-L116 WeakPolarHBondContact O-CG 3.46Å; Y112-L116 PolarHBondContact O-N 2.8Å; Y112-W129 AromaticContact CD2-CD2 3.57Å; Y112-W129 HydrophobicContact CD2-CD2 3.57Å; Y112-W129 AromaticContact CD2-CE2 3.79Å; Y112-W129 AromaticContact CD2-CE3 3.83Å; Y112-W129 HydrophobicContact CD2-CE3 3.83Å; Y112-W129 AromaticContact CD2-CG 3.9Å; Y112-W129 HydrophobicContact CD2-CG 3.9Å; Y112-W129 HydrophobicContact CD2-CH2 4.5Å; Y112-W129 HydrophobicContact CD2-CZ2 4.26Å; Y112-W129 HydrophobicContact CD2-CZ3 4.29Å; Y112-W129 HydrophobicContact CE2-CD2 4.01Å; Y112-W129 AromaticContact CE2-CE3 3.85Å; Y112-W129 HydrophobicContact CE2-CE3 3.85Å; Y112-W129 HydrophobicContact CE2-CH2 4.03Å; Y112-W129 HydrophobicContact CE2-CZ2 4.15Å; Y112-W129 AromaticContact CE2-CZ3 3.87Å; Y112-W129 HydrophobicContact CE2-CZ3 3.87Å |
| 113 | P | 98.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.7 | -51.8 | 174.7 | -27.3 | 35 | 0 | 0 | 0 | 113.3 | D111 I115 L116 N117 V126 W129 V294 | D111-P113 VanDerWaalsContact OD1-CD 3.29Å; D111-P113 WeakPolarHBondContact OD1-CD 3.3Å; P113-I115 PolarHBondContact O-N 2.92Å; P113-L116 PolarHBondContact O-N 2.73Å; P113-N117 WeakPolarHBondContact O-CB 3.35Å; P113-N117 PolarHBondContact O-N 3.34Å; P113-N117 PolarHBondContact O-ND2 3.29Å; P113-V126 HydrophobicContact CB-CG1 4.19Å; P113-V126 HydrophobicContact CG-CG1 4.06Å; P113-W129 VanDerWaalsContact CD-CD1 3.49Å; P113-V294 HydrophobicContact CB-CG1 4.11Å; P113-V294 HydrophobicContact CB-CG2 4.14Å |
| 114 | S | 98.2 | Very high | 89.1 | Confident | 41 Ų | 41 | 52 Ų | 52 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | -179.8 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | D111 A118 N291 V294 | D111-S114 VanDerWaalsContact CG-CB 3.45Å; D111-S114 PolarHBondContact O-N 2.97Å; D111-S114 PolarHBondContact OD1-N 3.17Å; D111-S114 VanDerWaalsContact OD1-N 3.15Å; D111-S114 PolarHBondContact OD1-OG 2.95Å; D111-S114 VanDerWaalsContact OD2-CB 3.25Å; D111-S114 WeakPolarHBondContact OD2-CB 3.23Å; D111-S114 PolarHBondContact OD2-OG 3.17Å; S114-A118 PolarHBondContact O-N 2.95Å; S114-N291 PolarHBondContact OG-ND2 2.89Å; S114-V294 VanDerWaalsContact OG-CG2 3.32Å; S114-V294 WeakPolarHBondContact OG-CG2 3.45Å |
| 115 | I | 98.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 179.4 | -69.9 | 166.8 | 0 | 0 | 0 | 111 | T50 L52 L110 D111 Y112 P113 | T50-I115 HydrophobicContact CG2-CG2 3.59Å; T50-I115 WeakPolarHBondContact CG2-O 3.12Å; L52-I115 HydrophobicContact CD1-CG2 4.02Å; L52-I115 HydrophobicContact CG-CG2 4.44Å; L110-I115 HydrophobicContact CB-CD1 3.96Å; L110-I115 HydrophobicContact CD2-CD1 4.47Å; D111-I115 WeakPolarHBondContact O-CB 3.11Å; D111-I115 VanDerWaalsContact O-CG1 3.28Å; D111-I115 WeakPolarHBondContact O-CG1 3.13Å; D111-I115 PolarHBondContact O-N 3.27Å; Y112-I115 PolarHBondContact O-N 2.75Å; P113-I115 PolarHBondContact O-N 2.92Å |
| 116 | L | 98.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.9 | -43.7 | -178.3 | -72.4 | 170.5 | 0 | 0 | 0 | 111.6 | L17 A46 L47 L52 Y112 P113 A118 C119 L120 V126 | L17-L116 HydrophobicContact CD1-CD1 3.75Å; A46-L116 HydrophobicContact CB-CD2 4.07Å; L47-L116 HydrophobicContact CD2-CD1 4.24Å; L47-L116 HydrophobicContact CD2-CD2 3.79Å; L47-L116 HydrophobicContact CG-CD2 3.97Å; L52-L116 HydrophobicContact CD1-CD1 4.36Å; L52-L116 HydrophobicContact CD1-CD2 3.87Å; L52-L116 HydrophobicContact CD1-CG 3.92Å; Y112-L116 VanDerWaalsContact O-CB 3.29Å; Y112-L116 WeakPolarHBondContact O-CB 3.15Å; Y112-L116 VanDerWaalsContact O-CG 3.32Å; Y112-L116 WeakPolarHBondContact O-CG 3.46Å; Y112-L116 PolarHBondContact O-N 2.8Å; P113-L116 PolarHBondContact O-N 2.73Å; L116-A118 PolarHBondContact O-N 3.42Å; L116-C119 CarbonylContact O-C 3.32Å; L116-C119 PolarHBondContact O-N 3.3Å; L116-L120 HydrophobicContact CB-CD1 3.96Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.11Å; L116-V126 HydrophobicContact CB-CG2 4.26Å; L116-V126 HydrophobicContact CD1-CG2 3.89Å |
| 117 | N | 98.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -23.7 | -176.4 | -72.1 | -17.5 | 0 | 0 | 0 | 113.8 | P113 C119 K125 V126 V294 | P113-N117 WeakPolarHBondContact O-CB 3.35Å; P113-N117 PolarHBondContact O-N 3.34Å; P113-N117 PolarHBondContact O-ND2 3.29Å; N117-C119 PolarHBondContact O-N 3.49Å; N117-K125 HydrophobicContact CB-CD 3.97Å; N117-K125 PolarHBondContact O-NZ 3.07Å; N117-K125 VanDerWaalsContact O-NZ 3.12Å; N117-K125 WeakPolarHBondContact OD1-CA 3.41Å; N117-K125 WeakPolarHBondContact OD1-CD 3.49Å; N117-V126 PolarHBondContact ND2-O 2.72Å; N117-V126 PolarHBondContact OD1-N 2.79Å; N117-V294 VanDerWaalsContact ND2-CG1 3.26Å; N117-V294 WeakPolarHBondContact ND2-CG1 3.4Å |
| 118 | A | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 35.5 Ų | 35.5 | 72% | 0.719 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S114 L116 | S114-A118 PolarHBondContact O-N 2.95Å; L116-A118 PolarHBondContact O-N 3.42Å |
| 119 | C | 98.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 30% | 0.304 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -17.1 | 179.2 | -69.3 | 0 | 0 | 0 | 0 | 113.9 | A46 K49 T50 L116 N117 | A46-C119 HydrophobicContact CB-CB 3.85Å; K49-C119 HydrophobicContact CD-CB 4.38Å; T50-C119 HydrophobicContact CG2-CB 4.22Å; L116-C119 CarbonylContact O-C 3.32Å; L116-C119 PolarHBondContact O-N 3.3Å; N117-C119 PolarHBondContact O-N 3.49Å |
| 120 | L | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -80.4 | 146.2 | 179.3 | -72.8 | 168.2 | 0 | 0 | 0 | 112 | L43 A46 L116 V124 K125 V126 | L43-L120 HydrophobicContact CD1-CD2 4.49Å; A46-L120 HydrophobicContact CB-CD2 3.68Å; A46-L120 HydrophobicContact CB-CG 3.82Å; L116-L120 HydrophobicContact CB-CD1 3.96Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.11Å; L120-V124 VanDerWaalsContact CB-O 3.23Å; L120-V124 WeakPolarHBondContact CB-O 3.26Å; L120-V124 HydrophobicContact CD2-CG1 4.35Å; L120-K125 PolarHBondContact O-NZ 2.82Å; L120-V126 HydrophobicContact CD1-CG2 3.95Å |
| 121 | P | 96.5 | Very high | 97.7 | Very high | 44 Ų | 44 | 25.4 Ų | 25.4 | 29% | 0.286 | 15% | 0.153 | S | C | . | . | trans | -60.5 | 165.7 | 174.7 | 29.1 | -35.9 | 0 | 0 | 0 | 111.6 | F26 V42 S123 V124 K125 | F26-P121 HydrophobicContact CZ-CG 4.49Å; V42-P121 HydrophobicContact CB-CG 4.26Å; V42-P121 HydrophobicContact CG1-CG 4.46Å; V42-P121 HydrophobicContact CG2-CG 4.2Å; P121-S123 PolarHBondContact O-N 3.48Å; P121-V124 HydrophobicContact CG-CB 4.04Å; P121-V124 HydrophobicContact CG-CG2 4.11Å; P121-V124 PolarHBondContact O-N 3.48Å; P121-K125 VanDerWaalsContact O-CE 3.22Å; P121-K125 WeakPolarHBondContact O-CE 3.41Å; P121-K125 PolarHBondContact O-NZ 3.41Å; P121-K125 VanDerWaalsContact O-NZ 3.13Å | ||
| 122 | Q | 94.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 23 Ų | 23 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25.7 | -176.8 | -61.8 | -63.3 | 11.8 | 0 | 0 | 113.6 | V124 K125 R301 | Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-K125 VanDerWaalsContact OE1-NZ 3.13Å; Q122-R301 HydrophobicContact CB-CG 4.31Å |
| 123 | S | 95.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.8 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | Y21 V22 E25 F26 P121 | Y21-S123 CarbonylContact C-O 3.6Å; Y21-S123 WeakPolarHBondContact CA-O 3.47Å; Y21-S123 WeakPolarHBondContact CB-O 3.31Å; V22-S123 PolarHBondContact N-O 3.34Å; E25-S123 WeakPolarHBondContact OE1-CB 3.4Å; E25-S123 PolarHBondContact OE1-OG 2.93Å; F26-S123 WeakPolarHBondContact CE2-OG 3.47Å; F26-S123 WeakPolarHBondContact CZ-OG 3.49Å; P121-S123 PolarHBondContact O-N 3.48Å |
| 124 | V | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120.4 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 110 | L19 F26 V39 V42 L120 P121 Q122 | L19-V124 HydrophobicContact CD2-CG1 4.23Å; F26-V124 HydrophobicContact CE1-CG2 4.34Å; F26-V124 HydrophobicContact CE2-CG2 3.63Å; F26-V124 HydrophobicContact CZ-CG2 3.48Å; F26-V124 VanDerWaalsContact CZ-CG2 3.48Å; V39-V124 HydrophobicContact CG1-CG1 3.91Å; V39-V124 HydrophobicContact CG1-CG2 4.34Å; V42-V124 HydrophobicContact CG2-CB 4.38Å; V42-V124 HydrophobicContact CG2-CG1 4.4Å; V42-V124 HydrophobicContact CG2-CG2 4.03Å; L120-V124 VanDerWaalsContact CB-O 3.23Å; L120-V124 WeakPolarHBondContact CB-O 3.26Å; L120-V124 HydrophobicContact CD2-CG1 4.35Å; P121-V124 HydrophobicContact CG-CB 4.04Å; P121-V124 HydrophobicContact CG-CG2 4.11Å; P121-V124 PolarHBondContact O-N 3.48Å; Q122-V124 VanDerWaalsContact C-N 3.34Å |
| 125 | K | 98.4 | Very high | 97 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.5 | -179.5 | -61.7 | -66.2 | 176.6 | -164.7 | 0 | 111.6 | L19 A20 N117 L120 P121 Q122 V298 | L19-K125 CarbonylContact C-O 3.42Å; L19-K125 VanDerWaalsContact CA-O 3.32Å; L19-K125 WeakPolarHBondContact CA-O 3.29Å; A20-K125 PolarHBondContact N-O 3.21Å; A20-K125 PolarHBondContact O-N 3.38Å; A20-K125 VanDerWaalsContact O-O 3.14Å; N117-K125 HydrophobicContact CB-CD 3.97Å; N117-K125 PolarHBondContact O-NZ 3.07Å; N117-K125 VanDerWaalsContact O-NZ 3.12Å; N117-K125 WeakPolarHBondContact OD1-CA 3.41Å; N117-K125 WeakPolarHBondContact OD1-CD 3.49Å; L120-K125 PolarHBondContact O-NZ 2.82Å; P121-K125 VanDerWaalsContact O-CE 3.22Å; P121-K125 WeakPolarHBondContact O-CE 3.41Å; P121-K125 PolarHBondContact O-NZ 3.41Å; P121-K125 VanDerWaalsContact O-NZ 3.13Å; Q122-K125 VanDerWaalsContact OE1-NZ 3.13Å; K125-V298 HydrophobicContact CB-CG2 3.8Å; K125-V298 HydrophobicContact CG-CG2 3.99Å |
| 126 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.3 | 165.8 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | L17 M18 L19 P113 L116 N117 L120 A128 V294 | L17-V126 HydrophobicContact CB-CG1 4.33Å; L17-V126 HydrophobicContact CD2-CG1 4.36Å; M18-V126 CarbonylContact O-C 3.47Å; M18-V126 WeakPolarHBondContact O-CA 3.45Å; L19-V126 HydrophobicContact CG-CG2 4.35Å; P113-V126 HydrophobicContact CB-CG1 4.19Å; P113-V126 HydrophobicContact CG-CG1 4.06Å; L116-V126 HydrophobicContact CB-CG2 4.26Å; L116-V126 HydrophobicContact CD1-CG2 3.89Å; N117-V126 PolarHBondContact ND2-O 2.72Å; N117-V126 PolarHBondContact OD1-N 2.79Å; L120-V126 HydrophobicContact CD1-CG2 3.95Å; V126-A128 WeakPolarHBondContact CG1-O 3.42Å; V126-V294 WeakPolarHBondContact O-CG1 3.31Å |
| 127 | I | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.046 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -21.1 | -175.1 | 59.2 | 168.2 | 0 | 0 | 0 | 113.4 | M18 A20 L74 W290 L295 V298 | M18-I127 HydrophobicContact CB-CG1 4.06Å; M18-I127 HydrophobicContact CG-CD1 3.96Å; M18-I127 HydrophobicContact CG-CG1 3.79Å; M18-I127 WeakPolarHBondContact O-CG1 3.48Å; M18-I127 PolarHBondContact O-N 2.98Å; M18-I127 HydrophobicContact SD-CD1 3.66Å; M18-I127 HydrophobicContact SD-CG1 3.94Å; A20-I127 HydrophobicContact CB-CD1 4.35Å; A20-I127 HydrophobicContact CB-CG2 3.81Å; L74-I127 HydrophobicContact CD1-CD1 4.45Å; L74-I127 WeakPolarHBondContact O-CD1 3.34Å; I127-W290 HydrophobicContact CD1-CZ3 4.39Å; I127-L295 HydrophobicContact CB-CD2 4.04Å; I127-V298 HydrophobicContact CG2-CG1 4.11Å; I127-V298 HydrophobicContact CG2-CG2 4.14Å |
| 128 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 165 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | M18 V126 W288 Q289 W290 | M18-A128 HydrophobicContact CB-CB 4.12Å; M18-A128 PolarHBondContact N-O 3.49Å; V126-A128 WeakPolarHBondContact CG1-O 3.42Å; A128-W288 HydrophobicContact CB-CE3 3.91Å; A128-Q289 WeakPolarHBondContact CA-O 3.24Å; A128-W290 HydrophobicContact CB-CD2 3.99Å; A128-W290 HydrophobicContact CB-CE3 3.64Å; A128-W290 HydrophobicContact CB-CH2 3.95Å; A128-W290 HydrophobicContact CB-CZ2 4.27Å; A128-W290 HydrophobicContact CB-CZ3 3.64Å |
| 129 | W | 98.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 164 | 168.3 | 74.3 | -79.2 | 0 | 0 | 0 | 110.7 | V15 A16 L17 E109 Y112 P113 P131 W288 Q289 | V15-W129 HydrophobicContact CB-CE3 4.17Å; V15-W129 HydrophobicContact CG1-CE3 3.75Å; V15-W129 HydrophobicContact CG1-CZ3 3.87Å; A16-W129 CarbonylContact O-C 3.59Å; A16-W129 WeakPolarHBondContact O-CA 3.34Å; A16-W129 WeakPolarHBondContact O-CB 3.49Å; L17-W129 HydrophobicContact CD2-CB 3.61Å; E109-W129 HydrophobicContact CB-CH2 4.29Å; E109-W129 HydrophobicContact CB-CZ2 4.21Å; E109-W129 HydrophobicContact CG-CH2 3.69Å; E109-W129 HydrophobicContact CG-CZ2 3.83Å; Y112-W129 AromaticContact CD2-CD2 3.57Å; Y112-W129 HydrophobicContact CD2-CD2 3.57Å; Y112-W129 AromaticContact CD2-CE2 3.79Å; Y112-W129 AromaticContact CD2-CE3 3.83Å; Y112-W129 HydrophobicContact CD2-CE3 3.83Å; Y112-W129 AromaticContact CD2-CG 3.9Å; Y112-W129 HydrophobicContact CD2-CG 3.9Å; Y112-W129 HydrophobicContact CD2-CH2 4.5Å; Y112-W129 HydrophobicContact CD2-CZ2 4.26Å; Y112-W129 HydrophobicContact CD2-CZ3 4.29Å; Y112-W129 HydrophobicContact CE2-CD2 4.01Å; Y112-W129 AromaticContact CE2-CE3 3.85Å; Y112-W129 HydrophobicContact CE2-CE3 3.85Å; Y112-W129 HydrophobicContact CE2-CH2 4.03Å; Y112-W129 HydrophobicContact CE2-CZ2 4.15Å; Y112-W129 AromaticContact CE2-CZ3 3.87Å; Y112-W129 HydrophobicContact CE2-CZ3 3.87Å; P113-W129 VanDerWaalsContact CD-CD1 3.49Å; W129-P131 HydrophobicContact CH2-CG 4.19Å; W129-P131 HydrophobicContact CZ3-CG 3.95Å; W129-W288 CarbonylContact O-C 3.47Å; W129-Q289 HydrophobicContact CD2-CB 4.24Å; W129-Q289 HydrophobicContact CD2-CG 4.27Å; W129-Q289 HydrophobicContact CG-CB 4.24Å; W129-Q289 HydrophobicContact CH2-CG 4.42Å; W129-Q289 HydrophobicContact CZ2-CB 4.3Å; W129-Q289 HydrophobicContact CZ2-CG 3.9Å; W129-Q289 PolarHBondContact N-O 3.21Å; W129-Q289 WeakPolarHBondContact O-CA 3.39Å; W129-Q289 WeakPolarHBondContact O-CB 3.42Å; W129-Q289 PolarHBondContact O-N 2.93Å |
| 130 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 140.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | V15 A16 E287 W288 | V15-A130 WeakPolarHBondContact CA-O 3.37Å; A16-A130 HydrophobicContact CB-CB 4.42Å; A16-A130 PolarHBondContact N-O 3.44Å; A16-A130 PolarHBondContact O-N 3.29Å; A130-E287 WeakPolarHBondContact CB-O 3.02Å; A130-W288 HydrophobicContact CB-CD2 4.21Å; A130-W288 HydrophobicContact CB-CE3 3.86Å; A130-W288 HydrophobicContact CB-CZ3 4.14Å |
| 131 | P | 96.7 | Very high | 96.6 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 138.7 | 160.3 | -19.1 | 30.2 | 0 | 0 | 0 | 110.3 | R13 F90 W129 | R13-P131 VanDerWaalsContact NH2-CB 3.33Å; F90-P131 HydrophobicContact CD1-CB 4.15Å; W129-P131 HydrophobicContact CH2-CG 4.19Å; W129-P131 HydrophobicContact CZ3-CG 3.95Å |
| 132 | V | 96.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | trans | -141.6 | 161.9 | 174.5 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | R14 A16 F136 L286 | R14-V132 HydrophobicContact CB-CG2 3.97Å; R14-V132 HydrophobicContact CG-CG2 3.39Å; R14-V132 PolarHBondContact O-N 3.29Å; A16-V132 HydrophobicContact CB-CG1 3.87Å; V132-F136 HydrophobicContact CB-CB 3.6Å; V132-F136 HydrophobicContact CB-CD1 3.88Å; V132-F136 HydrophobicContact CB-CD2 4.09Å; V132-F136 HydrophobicContact CB-CG 3.59Å; V132-F136 HydrophobicContact CG1-CB 4.43Å; V132-F136 HydrophobicContact CG1-CD1 3.89Å; V132-F136 HydrophobicContact CG1-CD2 4.07Å; V132-F136 HydrophobicContact CG1-CE1 4.11Å; V132-F136 HydrophobicContact CG1-CE2 4.28Å; V132-F136 HydrophobicContact CG1-CG 3.87Å; V132-F136 HydrophobicContact CG1-CZ 4.3Å; V132-F136 HydrophobicContact CG2-CB 3.64Å; V132-F136 HydrophobicContact CG2-CD1 3.68Å; V132-F136 HydrophobicContact CG2-CG 3.79Å; V132-L286 HydrophobicContact CG1-CD2 3.57Å | ||
| 133 | S | 94.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 39 Ų | 39 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | trans | -62.9 | 153.4 | 176.1 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | R14 F90 Q135 F136 | R14-S133 WeakPolarHBondContact CG-O 2.93Å; F90-S133 VanDerWaalsContact CE1-N 3.32Å; S133-Q135 PolarHBondContact O-N 2.74Å; S133-Q135 VanDerWaalsContact O-N 3.09Å; S133-F136 WeakPolarHBondContact O-CB 3.34Å; S133-F136 PolarHBondContact O-N 3.16Å; S133-F136 PolarHBondContact OG-N 3.39Å | ||
| 134 | P | 92.3 | Very high | 96.9 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 42% | 0.422 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.1 | 176.4 | -26.1 | 35.4 | 0 | 0 | 0 | 113.8 | F136 | P134-F136 VanDerWaalsContact C-N 3.33Š|
| 135 | Q | 93.6 | Very high | 96.9 | Very high | 155 Ų | 155 | 39.4 Ų | 39.4 | 72% | 0.724 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6.2 | 179.4 | -59.2 | 74.3 | 21.1 | 0 | 0 | 113.1 | S133 S137 | S133-Q135 PolarHBondContact O-N 2.74Å; S133-Q135 VanDerWaalsContact O-N 3.09Å; Q135-S137 PolarHBondContact O-N 3.37Å |
| 136 | F | 96.7 | Very high | 96.9 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | trans | -63.5 | 133.1 | -179.3 | -178.5 | -89 | 0 | 0 | 0 | 111.3 | R14 A16 V132 S133 P134 A138 C141 F283 L286 | R14-F136 PolarHBondContact NE-O 2.92Å; R14-F136 VanDerWaalsContact NE-O 3.1Å; R14-F136 PolarHBondContact NH2-O 3.14Å; A16-F136 HydrophobicContact CB-CE1 4.04Å; A16-F136 HydrophobicContact CB-CZ 4.49Å; V132-F136 HydrophobicContact CB-CB 3.6Å; V132-F136 HydrophobicContact CB-CD1 3.88Å; V132-F136 HydrophobicContact CB-CD2 4.09Å; V132-F136 HydrophobicContact CB-CG 3.59Å; V132-F136 HydrophobicContact CG1-CB 4.43Å; V132-F136 HydrophobicContact CG1-CD1 3.89Å; V132-F136 HydrophobicContact CG1-CD2 4.07Å; V132-F136 HydrophobicContact CG1-CE1 4.11Å; V132-F136 HydrophobicContact CG1-CE2 4.28Å; V132-F136 HydrophobicContact CG1-CG 3.87Å; V132-F136 HydrophobicContact CG1-CZ 4.3Å; V132-F136 HydrophobicContact CG2-CB 3.64Å; V132-F136 HydrophobicContact CG2-CD1 3.68Å; V132-F136 HydrophobicContact CG2-CG 3.79Å; S133-F136 WeakPolarHBondContact O-CB 3.34Å; S133-F136 PolarHBondContact O-N 3.16Å; S133-F136 PolarHBondContact OG-N 3.39Å; P134-F136 VanDerWaalsContact C-N 3.33Å; F136-A138 HydrophobicContact CE1-CB 4.26Å; F136-C141 HydrophobicContact CD2-CB 3.87Å; F136-C141 HydrophobicContact CE2-CB 3.53Å; F136-C141 HydrophobicContact CZ-CB 4.11Å; F136-F283 HydrophobicContact CE2-CD1 4Å; F136-F283 HydrophobicContact CE2-CE1 4.47Å; F136-F283 AromaticContact CZ-CD1 3.64Å; F136-F283 HydrophobicContact CZ-CD1 3.64Å; F136-F283 AromaticContact CZ-CE1 3.76Å; F136-F283 HydrophobicContact CZ-CE1 3.76Å; F136-F283 HydrophobicContact CZ-CG 4.48Å; F136-L286 HydrophobicContact CD2-CD2 4.47Å; F136-L286 HydrophobicContact CE2-CD1 4.29Å; F136-L286 HydrophobicContact CE2-CD2 3.86Å; F136-L286 HydrophobicContact CE2-CG 4.5Å; F136-L286 HydrophobicContact CZ-CD1 4Å; F136-L286 HydrophobicContact CZ-CD2 4.24Å | ||
| 137 | S | 97 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | trans | -127.5 | 119.1 | 172.8 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | H62 Q135 R139 F140 C141 | H62-S137 WeakPolarHBondContact ND1-CB 3.28Å; H62-S137 PolarHBondContact ND1-OG 3.25Å; Q135-S137 PolarHBondContact O-N 3.37Å; S137-R139 PolarHBondContact O-N 3.2Å; S137-R139 PolarHBondContact OG-N 2.73Å; S137-F140 PolarHBondContact O-N 3.2Å; S137-F140 WeakPolarHBondContact OG-CD2 3.35Å; S137-C141 VanDerWaalsContact O-CB 3.24Å; S137-C141 WeakPolarHBondContact O-CB 3.3Å; S137-C141 PolarHBondContact O-N 3.49Å; S137-C141 PolarHBondContact O-SG 3.4Å | ||
| 138 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C64 V77 S79 F136 C142 F283 | C64-A138 WeakPolarHBondContact CA-O 3.41Å; C64-A138 HydrophobicContact CB-CB 4.28Å; C64-A138 WeakPolarHBondContact CB-O 3.23Å; V77-A138 HydrophobicContact CG1-CB 4.09Å; S79-A138 PolarHBondContact OG-N 3.31Å; F136-A138 HydrophobicContact CE1-CB 4.26Å; A138-C142 VanDerWaalsContact O-CB 3.27Å; A138-C142 WeakPolarHBondContact O-CB 3.44Å; A138-F283 WeakPolarHBondContact O-CE1 3.1Å |
| 139 | R | 96 | Very high | 97 | Very high | 135 Ų | 135 | 41.8 Ų | 41.8 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -57.4 | 176 | -176.5 | 178.2 | 176 | 82.8 | -1.6 | 112.4 | I63 S137 | I63-R139 WeakPolarHBondContact O-CA 3.36Å; I63-R139 WeakPolarHBondContact O-CB 3.24Å; S137-R139 PolarHBondContact O-N 3.2Å; S137-R139 PolarHBondContact OG-N 2.73Å |
| 140 | F | 95.6 | Very high | 97 | Very high | 160 Ų | 160 | 43.9 Ų | 43.9 | 70% | 0.702 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -28.3 | -169.2 | -60.9 | -62.8 | 0 | 0 | 0 | 113.2 | S137 C142 | S137-F140 PolarHBondContact O-N 3.2Å; S137-F140 WeakPolarHBondContact OG-CD2 3.35Å; F140-C142 VanDerWaalsContact C-N 3.34Å |
| 141 | C | 97.6 | Very high | 97 | Very high | 41 Ų | 41 | 44 Ų | 44 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -80.7 | -13.3 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | F136 S137 K143 F283 | F136-C141 HydrophobicContact CD2-CB 3.87Å; F136-C141 HydrophobicContact CE2-CB 3.53Å; F136-C141 HydrophobicContact CZ-CB 4.11Å; S137-C141 VanDerWaalsContact O-CB 3.24Å; S137-C141 WeakPolarHBondContact O-CB 3.3Å; S137-C141 PolarHBondContact O-N 3.49Å; S137-C141 PolarHBondContact O-SG 3.4Å; C141-K143 PolarHBondContact O-N 2.9Å; C141-F283 HydrophobicContact CB-CD1 4.2Å; C141-F283 HydrophobicContact CB-CE1 4.44Å |
| 142 | C | 97.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 8% | 0.081 | 22% | 0.215 | C | C | . | . | trans | -70.1 | 121 | 179.4 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | C64 A138 F140 G144 R145 F283 | C64-C142 HydrophobicContact CB-CB 4.16Å; A138-C142 VanDerWaalsContact O-CB 3.27Å; A138-C142 WeakPolarHBondContact O-CB 3.44Å; F140-C142 VanDerWaalsContact C-N 3.34Å; C142-G144 PolarHBondContact SG-O 3.48Å; C142-G144 VanDerWaalsContact SG-O 3.39Å; C142-R145 VanDerWaalsContact SG-CZ 3.58Å; C142-F283 VanDerWaalsContact CA-CE1 3.46Å; C142-F283 HydrophobicContact CB-CD1 4.28Å; C142-F283 HydrophobicContact CB-CE1 3.55Å; C142-F283 HydrophobicContact CB-CE2 4.46Å; C142-F283 HydrophobicContact CB-CZ 3.66Å | ||
| 143 | K | 97.3 | Very high | 96.8 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | trans | -90.7 | -20.1 | -175.1 | -56.4 | -52.5 | -167.1 | 176.5 | 0 | 114.2 | C141 R195 N282 D284 | C141-K143 PolarHBondContact O-N 2.9Å; K143-R195 PolarHBondContact O-NH1 3.22Å; K143-R195 PolarHBondContact O-NH2 3.32Å; K143-N282 HydrophobicContact CB-CB 4.48Å; K143-N282 PolarHBondContact N-O 3.33Å; K143-D284 WeakPolarHBondContact CE-OD2 3.24Å; K143-D284 IonicContact NZ-OD2 2.61Å | ||
| 144 | G | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 160.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C142 A220 T281 N282 | C142-G144 PolarHBondContact SG-O 3.48Å; C142-G144 VanDerWaalsContact SG-O 3.39Å; G144-A220 CarbonylContact C-O 3.54Å; G144-A220 WeakPolarHBondContact CA-O 3.26Å; G144-T281 CarbonylContact O-C 3.53Å; G144-T281 WeakPolarHBondContact O-CA 3.37Å; G144-N282 PolarHBondContact O-N 3.34Å |
| 145 | R | 98.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.8 | 179.4 | -66.1 | 168.6 | -161.9 | 70.5 | -0.6 | 108.3 | C64 C142 Y147 S219 A220 N221 F223 L278 N280 T281 | C64-R145 VanDerWaalsContact O-CZ 3.22Å; C64-R145 PolarHBondContact O-NE 3.39Å; C64-R145 PolarHBondContact O-NH2 3.11Å; C142-R145 VanDerWaalsContact SG-CZ 3.58Å; R145-Y147 HydrophobicContact CB-CE2 4.22Å; R145-S219 VanDerWaalsContact O-CA 3.3Å; R145-S219 WeakPolarHBondContact O-CA 3.46Å; R145-A220 PolarHBondContact N-O 2.8Å; R145-A220 PolarHBondContact O-N 2.68Å; R145-A220 VanDerWaalsContact O-N 3.08Å; R145-N221 PolarHBondContact NH1-O 3.18Å; R145-F223 HydrophobicContact CB-CD2 4.12Å; R145-F223 HydrophobicContact CB-CE2 3.82Å; R145-F223 WeakPolarHBondContact O-CE2 3.39Å; R145-L278 HydrophobicContact CB-CD1 4.06Å; R145-L278 HydrophobicContact CG-CD1 4.39Å; R145-N280 WeakPolarHBondContact CA-O 3.29Å; R145-T281 HydrophobicContact CG-CG2 4.29Å |
| 146 | T | 98.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.6 | 174.5 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | E217 V218 S219 C279 N280 | T146-E217 HydrophobicContact CG2-CG 4.18Å; T146-V218 WeakPolarHBondContact CA-O 3.25Å; T146-S219 WeakPolarHBondContact CB-OG 3.49Å; T146-S219 VanDerWaalsContact CG2-OG 3.31Å; T146-S219 WeakPolarHBondContact CG2-OG 3.45Å; T146-S219 PolarHBondContact OG1-OG 3.06Å; T146-C279 PolarHBondContact O-N 3.49Å; T146-N280 PolarHBondContact N-O 3.04Å; T146-N280 PolarHBondContact O-N 3.15Å |
| 147 | Y | 98.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 148 | 174 | -77.2 | -88.8 | 0 | 0 | 0 | 110.6 | R145 E217 V218 F223 I228 L276 I277 L278 | R145-Y147 HydrophobicContact CB-CE2 4.22Å; Y147-E217 WeakPolarHBondContact O-CA 2.95Å; Y147-V218 PolarHBondContact N-O 3.22Å; Y147-V218 PolarHBondContact O-N 3.43Å; Y147-F223 AromaticContact CD2-CD2 3.75Å; Y147-F223 HydrophobicContact CD2-CD2 3.75Å; Y147-F223 AromaticContact CD2-CE2 3.48Å; Y147-F223 HydrophobicContact CD2-CE2 3.48Å; Y147-F223 VanDerWaalsContact CD2-CE2 3.48Å; Y147-F223 HydrophobicContact CD2-CZ 4.18Å; Y147-F223 AromaticContact CE2-CD2 3.56Å; Y147-F223 HydrophobicContact CE2-CD2 3.56Å; Y147-F223 AromaticContact CE2-CE2 3.76Å; Y147-F223 HydrophobicContact CE2-CE2 3.76Å; Y147-F223 HydrophobicContact CE2-CG 4.45Å; Y147-I228 HydrophobicContact CD2-CG1 4.11Å; Y147-I228 HydrophobicContact CG-CG1 4.14Å; Y147-L276 HydrophobicContact CD1-CD1 3.59Å; Y147-L276 HydrophobicContact CD1-CD2 4.31Å; Y147-L276 HydrophobicContact CD1-CG 3.91Å; Y147-L276 HydrophobicContact CE1-CG 4.42Å; Y147-L276 HydrophobicContact CG-CD1 4.11Å; Y147-I277 VanDerWaalsContact CA-O 3.31Å; Y147-I277 WeakPolarHBondContact CA-O 3.41Å; Y147-I277 WeakPolarHBondContact CD1-O 3.45Å; Y147-L278 HydrophobicContact CD1-CB 4.09Å; Y147-L278 HydrophobicContact CD2-CD1 4.27Å; Y147-L278 HydrophobicContact CE1-CB 3.56Å; Y147-L278 HydrophobicContact CE1-CD1 4.1Å; Y147-L278 HydrophobicContact CE1-CG 4.36Å; Y147-L278 HydrophobicContact CE2-CD1 3.81Å |
| 148 | K | 98.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.7 | 165.1 | -69.4 | -175.6 | 174.7 | -171.7 | 0 | 109.6 | F150 F216 E217 L276 I277 C279 | K148-F150 HydrophobicContact CB-CE2 4.04Å; K148-F150 HydrophobicContact CB-CZ 4Å; K148-F150 HydrophobicContact CD-CZ 4.05Å; K148-F216 CarbonylContact C-O 3.56Å; K148-F216 WeakPolarHBondContact CA-O 3.47Å; K148-E217 WeakPolarHBondContact CE-OE2 3.33Å; K148-E217 HydrophobicContact CG-CB 4.16Å; K148-E217 HydrophobicContact CG-CG 4.02Å; K148-E217 IonicContact NZ-OE2 3.03Å; K148-E217 PolarHBondContact NZ-OE2 3.35Å; K148-L276 WeakPolarHBondContact O-CA 3.41Å; K148-L276 WeakPolarHBondContact O-CD1 3.3Å; K148-I277 HydrophobicContact CB-CG2 3.93Å; K148-I277 PolarHBondContact N-O 3.21Å; K148-I277 WeakPolarHBondContact O-CG2 3.4Å; K148-I277 PolarHBondContact O-N 3.29Å; K148-C279 VanDerWaalsContact CG-SG 3.6Å |
| 149 | Y | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.2 | 173.1 | -168.2 | -77.4 | 0 | 0 | 0 | 108.6 | F151 C215 F216 V232 F236 A271 T272 P275 L276 L355 | Y149-F151 HydrophobicContact CD1-CD1 4.05Å; Y149-F151 HydrophobicContact CE1-CB 4.44Å; Y149-C215 CarbonylContact O-C 3.58Å; Y149-C215 WeakPolarHBondContact O-CA 3.48Å; Y149-F216 PolarHBondContact N-O 3.31Å; Y149-F216 PolarHBondContact O-N 2.69Å; Y149-V232 HydrophobicContact CD1-CG1 3.82Å; Y149-V232 HydrophobicContact CD1-CG2 4.21Å; Y149-V232 HydrophobicContact CD2-CG1 4.4Å; Y149-V232 HydrophobicContact CD2-CG2 4.02Å; Y149-V232 HydrophobicContact CE1-CG1 3.71Å; Y149-V232 HydrophobicContact CE2-CG1 4.31Å; Y149-V232 HydrophobicContact CG-CG1 4.17Å; Y149-V232 HydrophobicContact CG-CG2 3.8Å; Y149-F236 HydrophobicContact CE1-CE2 4.33Å; Y149-F236 AromaticContact CE1-CZ 3.99Å; Y149-F236 HydrophobicContact CE1-CZ 3.99Å; Y149-A271 HydrophobicContact CE2-CB 4.26Å; Y149-T272 VanDerWaalsContact CE2-O 3.3Å; Y149-T272 WeakPolarHBondContact CE2-O 3.44Å; Y149-T272 PolarHBondContact OH-O 3.44Å; Y149-T272 PolarHBondContact OH-OG1 3.08Å; Y149-P275 WeakPolarHBondContact CA-O 3.36Å; Y149-P275 HydrophobicContact CD1-CB 4.21Å; Y149-P275 HydrophobicContact CE1-CB 3.85Å; Y149-P275 HydrophobicContact CE1-CG 3.97Å; Y149-P275 HydrophobicContact CE2-CB 4.19Å; Y149-P275 HydrophobicContact CE2-CG 4.22Å; Y149-P275 WeakPolarHBondContact OH-CG 3.42Å; Y149-L276 HydrophobicContact CD2-CB 3.8Å; Y149-L276 HydrophobicContact CD2-CD1 4.14Å; Y149-L276 HydrophobicContact CD2-CG 4.47Å; Y149-L276 HydrophobicContact CE2-CB 4.23Å; Y149-L355 HydrophobicContact CE1-CD1 4.23Å |
| 150 | F | 98.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.5 | -178.1 | -61.3 | -76.4 | 0 | 0 | 0 | 111.7 | K148 L202 M213 C214 C215 P275 I277 | K148-F150 HydrophobicContact CB-CE2 4.04Å; K148-F150 HydrophobicContact CB-CZ 4Å; K148-F150 HydrophobicContact CD-CZ 4.05Å; F150-L202 HydrophobicContact CD1-CD1 4.22Å; F150-L202 HydrophobicContact CE1-CD1 4.15Å; F150-L202 HydrophobicContact CE1-CD2 4.48Å; F150-M213 HydrophobicContact CB-CG 4.38Å; F150-M213 HydrophobicContact CB-SD 4Å; F150-M213 HydrophobicContact CD1-CG 4.42Å; F150-C214 CarbonylContact C-O 3.54Å; F150-C214 VanDerWaalsContact CA-O 3.32Å; F150-C214 WeakPolarHBondContact CA-O 3.42Å; F150-C215 HydrophobicContact CD1-CB 4.01Å; F150-C215 HydrophobicContact CE1-CB 4.06Å; F150-P275 PolarHBondContact N-O 3.48Å; F150-P275 WeakPolarHBondContact O-CB 3.44Å; F150-I277 HydrophobicContact CD2-CG2 4.42Å; F150-I277 HydrophobicContact CE2-CG2 3.77Å |
| 151 | F | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 145.2 | 177.6 | 57.4 | -84.3 | 0 | 0 | 0 | 111.3 | Y149 L156 I158 M161 V199 C214 F216 F236 T351 L355 | Y149-F151 HydrophobicContact CD1-CD1 4.05Å; Y149-F151 HydrophobicContact CE1-CB 4.44Å; F151-L156 HydrophobicContact CD2-CD1 3.84Å; F151-L156 HydrophobicContact CE2-CD1 3.85Å; F151-I158 HydrophobicContact CE2-CD1 3.78Å; F151-I158 HydrophobicContact CZ-CD1 4.26Å; F151-M161 HydrophobicContact CE1-CE 4.41Å; F151-M161 HydrophobicContact CE2-CE 3.98Å; F151-M161 HydrophobicContact CE2-SD 4.29Å; F151-M161 HydrophobicContact CZ-CE 3.65Å; F151-M161 HydrophobicContact CZ-SD 4.32Å; F151-V199 HydrophobicContact CE1-CG1 4.36Å; F151-V199 HydrophobicContact CZ-CG1 3.78Å; F151-C214 HydrophobicContact CD2-CB 4.32Å; F151-C214 HydrophobicContact CE1-CB 4.45Å; F151-C214 HydrophobicContact CE2-CB 3.87Å; F151-C214 HydrophobicContact CZ-CB 3.94Å; F151-C214 PolarHBondContact N-O 2.96Å; F151-C214 PolarHBondContact O-N 3.35Å; F151-F216 HydrophobicContact CE1-CB 4.38Å; F151-F236 HydrophobicContact CB-CE1 4.21Å; F151-F236 HydrophobicContact CB-CZ 4.02Å; F151-F236 HydrophobicContact CD1-CE1 4.19Å; F151-F236 HydrophobicContact CD1-CZ 4.37Å; F151-F236 AromaticContact CD2-CE1 3.77Å; F151-F236 HydrophobicContact CD2-CE1 3.77Å; F151-F236 HydrophobicContact CD2-CZ 4.42Å; F151-F236 HydrophobicContact CE2-CE1 4.12Å; F151-F236 AromaticContact CG-CE1 3.8Å; F151-F236 HydrophobicContact CG-CE1 3.8Å; F151-F236 HydrophobicContact CG-CZ 4.03Å; F151-F236 HydrophobicContact CZ-CE1 4.47Å; F151-T351 HydrophobicContact CB-CG2 4.19Å; F151-L355 HydrophobicContact CB-CD1 3.64Å |
| 152 | P | 95.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 24% | 0.24 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 140.9 | 170 | -19.5 | 31.5 | 0 | 0 | 0 | 111.1 | G154 T351 | P152-G154 VanDerWaalsContact C-N 3.32Å; P152-G154 PolarHBondContact O-N 2.89Å; P152-T351 WeakPolarHBondContact O-CG2 3.36Å; P152-T351 PolarHBondContact O-OG1 3.4Å |
| 153 | K | 94.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 21% | 0.213 | 19% | 0.186 | C | C | . | . | trans | -55.8 | -45.9 | -179.6 | -174.1 | -177.3 | 170 | -63.3 | 0 | 112 | N155 L156 I158 Q208 A210 S212 | K153-N155 PolarHBondContact O-N 2.77Å; K153-L156 VanDerWaalsContact O-CB 3.23Å; K153-L156 WeakPolarHBondContact O-CB 3.46Å; K153-L156 WeakPolarHBondContact O-CG 3.49Å; K153-L156 PolarHBondContact O-N 3.29Å; K153-I158 HydrophobicContact CD-CG1 4.47Å; K153-I158 HydrophobicContact CG-CD1 4.17Å; K153-I158 HydrophobicContact CG-CG1 3.94Å; K153-Q208 HydrophobicContact CD-CB 4.27Å; K153-A210 PolarHBondContact N-O 2.83Å; K153-S212 WeakPolarHBondContact CB-O 3.27Å; K153-S212 PolarHBondContact N-O 3Å | ||
| 154 | G | 91.5 | Very high | 97 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -135.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P152 A210 | P152-G154 VanDerWaalsContact C-N 3.32Å; P152-G154 PolarHBondContact O-N 2.89Å; G154-A210 PolarHBondContact N-O 2.75Å |
| 155 | N | 90.5 | Very high | 97 | Very high | 93 Ų | 93 | 33 Ų | 33 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10.9 | 173.6 | 65.7 | -9.9 | 0 | 0 | 0 | 113.9 | K153 | K153-N155 PolarHBondContact O-N 2.77Š|
| 156 | L | 94.7 | Very high | 97 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -70.6 | 136.6 | -176 | -62.2 | 168.6 | 0 | 0 | 0 | 112 | F151 K153 I158 M161 F236 G239 Q240 T351 V352 | F151-L156 HydrophobicContact CD2-CD1 3.84Å; F151-L156 HydrophobicContact CE2-CD1 3.85Å; K153-L156 VanDerWaalsContact O-CB 3.23Å; K153-L156 WeakPolarHBondContact O-CB 3.46Å; K153-L156 WeakPolarHBondContact O-CG 3.49Å; K153-L156 PolarHBondContact O-N 3.29Å; L156-I158 HydrophobicContact CB-CD1 4.09Å; L156-I158 PolarHBondContact O-N 3.48Å; L156-I158 VanDerWaalsContact O-N 3.12Å; L156-M161 HydrophobicContact CB-SD 4.01Å; L156-M161 HydrophobicContact CD1-SD 4.29Å; L156-F236 HydrophobicContact CD1-CD1 3.76Å; L156-F236 HydrophobicContact CD1-CE1 3.84Å; L156-F236 HydrophobicContact CD2-CD1 4.45Å; L156-G239 WeakPolarHBondContact CA-O 3.36Å; L156-Q240 HydrophobicContact CD2-CG 3.83Å; L156-T351 HydrophobicContact CD1-CG2 4.39Å; L156-V352 HydrophobicContact CD2-CG2 3.77Å | ||
| 157 | N | 95.7 | Very high | 97 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | trans | -78.5 | 90.3 | 170.2 | -172.5 | -24.7 | 0 | 0 | 0 | 110.7 | Q159 A160 M161 G239 | N157-Q159 VanDerWaalsContact C-N 3.31Å; N157-Q159 PolarHBondContact O-N 2.97Å; N157-Q159 PolarHBondContact OD1-N 3.36Å; N157-A160 HydrophobicContact CB-CB 3.95Å; N157-A160 VanDerWaalsContact CG-CB 3.46Å; N157-A160 PolarHBondContact O-N 3.15Å; N157-A160 WeakPolarHBondContact OD1-CB 3.17Å; N157-A160 PolarHBondContact OD1-N 2.78Å; N157-M161 WeakPolarHBondContact O-CG 3.14Å; N157-M161 PolarHBondContact O-N 3.12Å; N157-G239 PolarHBondContact N-O 3.28Å | ||
| 158 | I | 97.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 40.6 Ų | 40.6 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -36.4 | -176.8 | -55.1 | -57 | 0 | 0 | 0 | 112.4 | F151 K153 L156 M161 D162 V199 C214 | F151-I158 HydrophobicContact CE2-CD1 3.78Å; F151-I158 HydrophobicContact CZ-CD1 4.26Å; K153-I158 HydrophobicContact CD-CG1 4.47Å; K153-I158 HydrophobicContact CG-CD1 4.17Å; K153-I158 HydrophobicContact CG-CG1 3.94Å; L156-I158 HydrophobicContact CB-CD1 4.09Å; L156-I158 PolarHBondContact O-N 3.48Å; L156-I158 VanDerWaalsContact O-N 3.12Å; I158-M161 HydrophobicContact CD1-SD 4.15Å; I158-M161 PolarHBondContact O-N 3.2Å; I158-D162 WeakPolarHBondContact O-CB 3.43Å; I158-D162 PolarHBondContact O-N 3.49Å; I158-V199 HydrophobicContact CG2-CG1 4.08Å; I158-C214 HydrophobicContact CD1-CB 4.2Å |
| 159 | Q | 97.2 | Very high | 96.9 | Very high | 146 Ų | 146 | 41.1 Ų | 41.1 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.9 | -42.8 | 178.5 | -65.3 | -178.8 | 6.7 | 0 | 0 | 111.3 | N157 M161 D162 I163 | N157-Q159 VanDerWaalsContact C-N 3.31Å; N157-Q159 PolarHBondContact O-N 2.97Å; N157-Q159 PolarHBondContact OD1-N 3.36Å; Q159-M161 VanDerWaalsContact C-N 3.35Å; Q159-D162 PolarHBondContact O-N 3.07Å; Q159-I163 VanDerWaalsContact O-CG1 3.29Å; Q159-I163 WeakPolarHBondContact O-CG1 3.48Å; Q159-I163 PolarHBondContact O-N 3.48Å |
| 160 | A | 97.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N157 D162 I163 A164 V238 P245 | N157-A160 HydrophobicContact CB-CB 3.95Å; N157-A160 VanDerWaalsContact CG-CB 3.46Å; N157-A160 PolarHBondContact O-N 3.15Å; N157-A160 WeakPolarHBondContact OD1-CB 3.17Å; N157-A160 PolarHBondContact OD1-N 2.78Å; A160-D162 VanDerWaalsContact C-N 3.33Å; A160-D162 PolarHBondContact O-N 3.42Å; A160-I163 PolarHBondContact O-N 3.42Å; A160-A164 WeakPolarHBondContact O-CB 3.08Å; A160-A164 PolarHBondContact O-N 2.89Å; A160-V238 HydrophobicContact CB-CG1 3.95Å; A160-P245 HydrophobicContact CB-CB 3.94Å; A160-P245 HydrophobicContact CB-CG 3.97Å; A160-P245 VanDerWaalsContact O-CB 3.27Å; A160-P245 WeakPolarHBondContact O-CB 3.25Å |
| 161 | M | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 175 | -66.1 | 176 | 71.6 | 0 | 0 | 112 | F151 L156 N157 I158 Q159 A164 S165 V199 L235 F236 G239 | F151-M161 HydrophobicContact CE1-CE 4.41Å; F151-M161 HydrophobicContact CE2-CE 3.98Å; F151-M161 HydrophobicContact CE2-SD 4.29Å; F151-M161 HydrophobicContact CZ-CE 3.65Å; F151-M161 HydrophobicContact CZ-SD 4.32Å; L156-M161 HydrophobicContact CB-SD 4.01Å; L156-M161 HydrophobicContact CD1-SD 4.29Å; N157-M161 WeakPolarHBondContact O-CG 3.14Å; N157-M161 PolarHBondContact O-N 3.12Å; I158-M161 HydrophobicContact CD1-SD 4.15Å; I158-M161 PolarHBondContact O-N 3.2Å; Q159-M161 VanDerWaalsContact C-N 3.35Å; M161-A164 PolarHBondContact O-N 2.89Å; M161-S165 WeakPolarHBondContact O-CB 3.5Å; M161-S165 PolarHBondContact O-N 2.82Å; M161-V199 HydrophobicContact CB-CB 4.22Å; M161-V199 HydrophobicContact CB-CG1 4.07Å; M161-V199 HydrophobicContact CB-CG2 4.09Å; M161-V199 HydrophobicContact CE-CG1 4.44Å; M161-L235 HydrophobicContact CE-CB 3.93Å; M161-L235 WeakPolarHBondContact CG-O 3.22Å; M161-F236 HydrophobicContact CE-CD1 3.75Å; M161-F236 HydrophobicContact CE-CE1 4.09Å; M161-G239 VanDerWaalsContact CG-CA 3.47Å |
| 162 | D | 98.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -48 | 178.4 | -171.7 | 42.7 | 0 | 0 | 0 | 111.4 | I158 Q159 A160 A164 S165 R166 R198 V199 | I158-D162 WeakPolarHBondContact O-CB 3.43Å; I158-D162 PolarHBondContact O-N 3.49Å; Q159-D162 PolarHBondContact O-N 3.07Å; A160-D162 VanDerWaalsContact C-N 3.33Å; A160-D162 PolarHBondContact O-N 3.42Å; D162-A164 VanDerWaalsContact C-N 3.33Å; D162-A164 PolarHBondContact O-N 3.3Å; D162-S165 PolarHBondContact O-N 3.26Å; D162-S165 VanDerWaalsContact O-N 3.13Å; D162-S165 PolarHBondContact O-OG 2.91Å; D162-R166 WeakPolarHBondContact O-CG 3.32Å; D162-R166 PolarHBondContact O-N 3.38Å; D162-R166 VanDerWaalsContact O-N 3.17Å; D162-R166 IonicContact OD2-CZ 2.74Å; D162-R166 VanDerWaalsContact OD2-CZ 3.23Å; D162-R166 IonicContact OD2-NE 2.71Å; D162-R166 PolarHBondContact OD2-NE 2.89Å; D162-R166 IonicContact OD2-NH2 3.77Å; D162-R166 PolarHBondContact OD2-NH2 3.4Å; D162-R198 VanDerWaalsContact OD1-CA 3.27Å; D162-R198 WeakPolarHBondContact OD1-CA 3.43Å; D162-V199 HydrophobicContact CB-CB 4.02Å; D162-V199 WeakPolarHBondContact CB-O 3.37Å; D162-V199 PolarHBondContact OD1-N 3.43Å |
| 163 | I | 98.2 | Very high | 97 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 33% | 0.328 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.2 | -49.2 | 174.8 | -66.8 | 164.4 | 0 | 0 | 0 | 110.6 | Q159 A160 S165 R166 P245 | Q159-I163 VanDerWaalsContact O-CG1 3.29Å; Q159-I163 WeakPolarHBondContact O-CG1 3.48Å; Q159-I163 PolarHBondContact O-N 3.48Å; A160-I163 PolarHBondContact O-N 3.42Å; I163-S165 VanDerWaalsContact C-N 3.32Å; I163-S165 PolarHBondContact O-N 3.28Å; I163-R166 PolarHBondContact O-N 2.89Å; I163-P245 HydrophobicContact CB-CB 4.4Å; I163-P245 HydrophobicContact CG2-CB 4.34Å |
| 164 | A | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A160 M161 D162 R166 H167 L235 V238 P245 I253 | A160-A164 WeakPolarHBondContact O-CB 3.08Å; A160-A164 PolarHBondContact O-N 2.89Å; M161-A164 PolarHBondContact O-N 2.89Å; D162-A164 VanDerWaalsContact C-N 3.33Å; D162-A164 PolarHBondContact O-N 3.3Å; A164-R166 VanDerWaalsContact C-N 3.26Å; A164-R166 PolarHBondContact O-N 3.27Å; A164-H167 WeakPolarHBondContact O-CB 3.23Å; A164-H167 PolarHBondContact O-N 3.27Å; A164-L235 HydrophobicContact CB-CD2 3.91Å; A164-V238 HydrophobicContact CB-CB 4.41Å; A164-V238 HydrophobicContact CB-CG1 3.96Å; A164-V238 HydrophobicContact CB-CG2 4.06Å; A164-P245 HydrophobicContact CB-CB 4.32Å; A164-I253 HydrophobicContact CB-CG1 4.14Å; A164-I253 WeakPolarHBondContact O-CG1 3.33Å |
| 165 | S | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -31.1 | -178.2 | 81.2 | 0 | 0 | 0 | 0 | 113 | M161 D162 I163 H167 L168 A197 | M161-S165 WeakPolarHBondContact O-CB 3.5Å; M161-S165 PolarHBondContact O-N 2.82Å; D162-S165 PolarHBondContact O-N 3.26Å; D162-S165 VanDerWaalsContact O-N 3.13Å; D162-S165 PolarHBondContact O-OG 2.91Å; I163-S165 VanDerWaalsContact C-N 3.32Å; I163-S165 PolarHBondContact O-N 3.28Å; S165-H167 PolarHBondContact O-N 3.42Å; S165-L168 WeakPolarHBondContact O-CB 3.45Å; S165-L168 WeakPolarHBondContact O-CD1 3.31Å; S165-L168 VanDerWaalsContact O-CG 3.27Å; S165-L168 WeakPolarHBondContact O-CG 3.3Å; S165-L168 PolarHBondContact O-N 3.2Å; S165-A197 VanDerWaalsContact O-CB 3.29Å; S165-A197 WeakPolarHBondContact O-CB 3.42Å |
| 166 | R | 98.1 | Very high | 97.5 | Very high | 144 Ų | 144 | 41.2 Ų | 41.2 | 54% | 0.543 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.5 | -27.6 | 178.8 | -67.5 | 169.7 | -166.7 | 166.7 | -3.7 | 112.7 | D162 I163 A164 L168 V169 | D162-R166 WeakPolarHBondContact O-CG 3.32Å; D162-R166 PolarHBondContact O-N 3.38Å; D162-R166 VanDerWaalsContact O-N 3.17Å; D162-R166 IonicContact OD2-CZ 2.74Å; D162-R166 VanDerWaalsContact OD2-CZ 3.23Å; D162-R166 IonicContact OD2-NE 2.71Å; D162-R166 PolarHBondContact OD2-NE 2.89Å; D162-R166 IonicContact OD2-NH2 3.77Å; D162-R166 PolarHBondContact OD2-NH2 3.4Å; I163-R166 PolarHBondContact O-N 2.89Å; A164-R166 VanDerWaalsContact C-N 3.26Å; A164-R166 PolarHBondContact O-N 3.27Å; R166-L168 PolarHBondContact O-N 3.09Å; R166-V169 WeakPolarHBondContact O-CB 3.43Å; R166-V169 PolarHBondContact O-N 3.03Å; R166-V169 VanDerWaalsContact O-N 3.11Å |
| 167 | H | 97.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 30% | 0.296 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.1 | 174.4 | -67 | -63.1 | 0 | 0 | 0 | 113.6 | A164 S165 V169 P245 I253 C254 L257 | A164-H167 WeakPolarHBondContact O-CB 3.23Å; A164-H167 PolarHBondContact O-N 3.27Å; S165-H167 PolarHBondContact O-N 3.42Å; H167-V169 VanDerWaalsContact C-N 3.3Å; H167-P245 PolarHBondContact NE2-O 3.06Å; H167-I253 HydrophobicContact CB-CB 4.02Å; H167-I253 HydrophobicContact CB-CG2 3.7Å; H167-C254 VanDerWaalsContact CG-SG 3.56Å; H167-C254 PolarHBondContact ND1-SG 2.82Å; H167-C254 VanDerWaalsContact ND1-SG 3.44Å; H167-L257 WeakPolarHBondContact O-CD1 3.35Å |
| 168 | L | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.9 | 173.8 | -58.9 | 165 | 0 | 0 | 0 | 112.4 | S165 R166 H172 F174 V194 A197 F216 I231 I253 | S165-L168 WeakPolarHBondContact O-CB 3.45Å; S165-L168 WeakPolarHBondContact O-CD1 3.31Å; S165-L168 VanDerWaalsContact O-CG 3.27Å; S165-L168 WeakPolarHBondContact O-CG 3.3Å; S165-L168 PolarHBondContact O-N 3.2Å; R166-L168 PolarHBondContact O-N 3.09Å; L168-H172 PolarHBondContact O-CD2 3.18Å; L168-F174 HydrophobicContact CD2-CE1 3.91Å; L168-V194 VanDerWaalsContact O-CB 3.25Å; L168-V194 WeakPolarHBondContact O-CB 3.41Å; L168-A197 HydrophobicContact CB-CB 4.25Å; L168-A197 HydrophobicContact CD1-CB 4.28Å; L168-F216 HydrophobicContact CD1-CE2 4.31Å; L168-F216 HydrophobicContact CD1-CZ 4.02Å; L168-I231 HydrophobicContact CD1-CD1 4.31Å; L168-I231 HydrophobicContact CD1-CG2 3.55Å; L168-I231 HydrophobicContact CD2-CD1 4.17Å; L168-I231 HydrophobicContact CD2-CG1 4.26Å; L168-I231 HydrophobicContact CD2-CG2 4.43Å; L168-I253 HydrophobicContact CD2-CD1 4.41Å; L168-I253 HydrophobicContact CD2-CG2 3.64Å; L168-I253 HydrophobicContact CG-CG2 4.03Å |
| 169 | V | 98.7 | Very high | 97.2 | Very high | 63 Ų | 63 | 41.3 Ų | 41.3 | 38% | 0.382 | 21% | 0.207 | S | C | . | . | trans | -66 | 138.3 | -176.5 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | R166 H167 H172 V194 A197 | R166-V169 WeakPolarHBondContact O-CB 3.43Å; R166-V169 PolarHBondContact O-N 3.03Å; R166-V169 VanDerWaalsContact O-N 3.11Å; H167-V169 VanDerWaalsContact C-N 3.3Å; V169-H172 PolarHBondContact O-NE2 3.2Å; V169-V194 HydrophobicContact CG2-CG1 4.42Å; V169-A197 HydrophobicContact CG2-CB 4.15Å | ||
| 170 | G | 98.5 | Very high | 96.5 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.3 | -169.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | T193 V194 | G170-T193 WeakPolarHBondContact O-CA 3.47Å; G170-V194 PolarHBondContact N-O 3.32Å; G170-V194 PolarHBondContact O-N 3.09Å |
| 171 | S | 98.4 | Very high | 95.3 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 54% | 0.538 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.5 | -179.7 | -68 | 0 | 0 | 0 | 0 | 110.1 | R192 T193 | S171-R192 WeakPolarHBondContact CA-O 3.28Å; S171-T193 WeakPolarHBondContact OG-CG2 3.44Å; S171-T193 PolarHBondContact OG-OG1 3.25Å |
| 172 | H | 97.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 26% | 0.255 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.7 | -175 | -54.4 | -76.3 | 0 | 0 | 0 | 111.4 | L168 V169 F174 V191 R192 L257 | L168-H172 PolarHBondContact O-CD2 3.18Å; V169-H172 PolarHBondContact O-NE2 3.2Å; H172-F174 HydrophobicContact CB-CD2 4.3Å; H172-F174 HydrophobicContact CB-CE2 3.82Å; H172-F174 HydrophobicContact CB-CZ 4Å; H172-F174 WeakPolarHBondContact O-CD2 3.38Å; H172-F174 WeakPolarHBondContact O-CE2 3.2Å; H172-F174 PolarHBondContact O-N 3.05Å; H172-V191 WeakPolarHBondContact O-CA 3.45Å; H172-R192 PolarHBondContact N-O 3.47Å; H172-R192 VanDerWaalsContact N-O 3.08Å; H172-R192 PolarHBondContact O-N 2.9Å; H172-L257 HydrophobicContact CB-CD1 4.34Å; H172-L257 HydrophobicContact CB-CD2 3.74Å; H172-L257 HydrophobicContact CB-CG 4.41Å |
| 173 | D | 96.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 112.5 | 167.6 | -172.6 | -40.1 | 0 | 0 | 0 | 109.9 | R175 C190 V191 V259 | D173-R175 VanDerWaalsContact CG-NE 3.34Å; D173-R175 VanDerWaalsContact OD1-CB 3.23Å; D173-R175 WeakPolarHBondContact OD1-CB 3.41Å; D173-R175 VanDerWaalsContact OD1-CG 3.3Å; D173-R175 WeakPolarHBondContact OD1-CG 3.25Å; D173-R175 PolarHBondContact OD1-N 3.47Å; D173-R175 IonicContact OD1-NE 3.54Å; D173-R175 PolarHBondContact OD1-NE 2.78Å; D173-R175 VanDerWaalsContact OD1-NE 3.08Å; D173-R175 IonicContact OD2-CZ 2.73Å; D173-R175 VanDerWaalsContact OD2-CZ 3.31Å; D173-R175 IonicContact OD2-NE 2.82Å; D173-R175 PolarHBondContact OD2-NE 2.77Å; D173-R175 VanDerWaalsContact OD2-NE 3.12Å; D173-R175 IonicContact OD2-NH2 2.96Å; D173-R175 PolarHBondContact OD2-NH2 3.24Å; D173-C190 WeakPolarHBondContact OD1-CB 3.39Å; D173-V191 HydrophobicContact CB-CG2 4.08Å; D173-V259 HydrophobicContact CB-CG1 3.78Å |
| 174 | F | 97 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -95.1 | 20.7 | -174.8 | -73.7 | -83.3 | 0 | 0 | 0 | 113.9 | L168 H172 N176 F177 C178 C190 R192 V194 L224 Q227 L257 | L168-F174 HydrophobicContact CD2-CE1 3.91Å; H172-F174 HydrophobicContact CB-CD2 4.3Å; H172-F174 HydrophobicContact CB-CE2 3.82Å; H172-F174 HydrophobicContact CB-CZ 4Å; H172-F174 WeakPolarHBondContact O-CD2 3.38Å; H172-F174 WeakPolarHBondContact O-CE2 3.2Å; H172-F174 PolarHBondContact O-N 3.05Å; F174-N176 PolarHBondContact O-N 2.98Å; F174-N176 VanDerWaalsContact O-N 3.1Å; F174-F177 HydrophobicContact CB-CB 4.41Å; F174-F177 HydrophobicContact CD1-CB 4.17Å; F174-F177 AromaticContact CD1-CD2 3.94Å; F174-F177 HydrophobicContact CD1-CD2 3.94Å; F174-F177 HydrophobicContact CD1-CG 4.29Å; F174-F177 CarbonylContact O-C 3.31Å; F174-F177 WeakPolarHBondContact O-CA 3.46Å; F174-F177 PolarHBondContact O-N 3.01Å; F174-C178 PolarHBondContact O-N 3.08Å; F174-C190 PolarHBondContact N-O 3.12Å; F174-R192 HydrophobicContact CD2-CB 3.73Å; F174-R192 HydrophobicContact CD2-CG 4.32Å; F174-R192 HydrophobicContact CE2-CB 3.92Å; F174-R192 WeakPolarHBondContact CE2-O 3.36Å; F174-V194 HydrophobicContact CE1-CG2 4.44Å; F174-V194 HydrophobicContact CE2-CG2 4.01Å; F174-V194 HydrophobicContact CZ-CG2 3.58Å; F174-L224 HydrophobicContact CB-CD1 3.74Å; F174-Q227 VanDerWaalsContact CD1-NE2 3.31Å; F174-L257 HydrophobicContact CD1-CD2 3.74Å; F174-L257 HydrophobicContact CE1-CD2 3.63Å; F174-L257 HydrophobicContact CG-CD2 4.43Å; F174-L257 HydrophobicContact CZ-CD2 4.25Å | ||
| 175 | R | 94.6 | Very high | 87 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 28% | 0.275 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -54.1 | -32.6 | -179 | 68.6 | 180 | 66.3 | 177.8 | 3.1 | 114 | D173 F177 I180 C190 V259 P263 | D173-R175 VanDerWaalsContact CG-NE 3.34Å; D173-R175 VanDerWaalsContact OD1-CB 3.23Å; D173-R175 WeakPolarHBondContact OD1-CB 3.41Å; D173-R175 VanDerWaalsContact OD1-CG 3.3Å; D173-R175 WeakPolarHBondContact OD1-CG 3.25Å; D173-R175 PolarHBondContact OD1-N 3.47Å; D173-R175 IonicContact OD1-NE 3.54Å; D173-R175 PolarHBondContact OD1-NE 2.78Å; D173-R175 VanDerWaalsContact OD1-NE 3.08Å; D173-R175 IonicContact OD2-CZ 2.73Å; D173-R175 VanDerWaalsContact OD2-CZ 3.31Å; D173-R175 IonicContact OD2-NE 2.82Å; D173-R175 PolarHBondContact OD2-NE 2.77Å; D173-R175 VanDerWaalsContact OD2-NE 3.12Å; D173-R175 IonicContact OD2-NH2 2.96Å; D173-R175 PolarHBondContact OD2-NH2 3.24Å; R175-F177 PolarHBondContact O-N 3.05Å; R175-I180 HydrophobicContact CB-CD1 4.08Å; R175-C190 HydrophobicContact CB-CB 4.03Å; R175-V259 HydrophobicContact CG-CG1 3.95Å; R175-P263 VanDerWaalsContact CD-O 3.28Å; R175-P263 WeakPolarHBondContact CD-O 3.5Å; R175-P263 PolarHBondContact NH1-O 2.93Å |
| 176 | N | 95.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -82.3 | -3.9 | 179.8 | -66.2 | -21 | 0 | 0 | 0 | 113.3 | F174 L256 H262 A264 K265 Y268 | F174-N176 PolarHBondContact O-N 2.98Å; F174-N176 VanDerWaalsContact O-N 3.1Å; N176-L256 HydrophobicContact CB-CB 4.12Å; N176-L256 WeakPolarHBondContact CB-O 3.37Å; N176-L256 PolarHBondContact ND2-O 3.25Å; N176-H262 PolarHBondContact ND2-O 3.44Å; N176-A264 PolarHBondContact OD1-O 3.06Å; N176-K265 VanDerWaalsContact OD1-CA 3.24Å; N176-K265 WeakPolarHBondContact OD1-CA 3.49Å; N176-K265 PolarHBondContact OD1-N 3.34Å; N176-Y268 PolarHBondContact O-OH 3.38Å |
| 177 | F | 97.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -120.2 | 21.6 | -179.5 | -66.2 | -81.2 | 0 | 0 | 0 | 111.7 | F174 R175 Q227 C230 I231 V234 I253 L256 L257 | F174-F177 HydrophobicContact CB-CB 4.41Å; F174-F177 HydrophobicContact CD1-CB 4.17Å; F174-F177 AromaticContact CD1-CD2 3.94Å; F174-F177 HydrophobicContact CD1-CD2 3.94Å; F174-F177 HydrophobicContact CD1-CG 4.29Å; F174-F177 CarbonylContact O-C 3.31Å; F174-F177 WeakPolarHBondContact O-CA 3.46Å; F174-F177 PolarHBondContact O-N 3.01Å; R175-F177 PolarHBondContact O-N 3.05Å; F177-Q227 WeakPolarHBondContact O-CA 3.17Å; F177-C230 VanDerWaalsContact C-CB 3.46Å; F177-C230 WeakPolarHBondContact O-CB 3.25Å; F177-I231 HydrophobicContact CB-CG1 4.03Å; F177-I231 HydrophobicContact CD1-CG1 3.81Å; F177-I231 HydrophobicContact CG-CG1 4.16Å; F177-V234 HydrophobicContact CD1-CG2 4.28Å; F177-V234 HydrophobicContact CE1-CB 4.22Å; F177-V234 HydrophobicContact CE1-CG1 4.3Å; F177-V234 HydrophobicContact CE1-CG2 3.96Å; F177-I253 HydrophobicContact CE1-CD1 3.7Å; F177-I253 HydrophobicContact CZ-CD1 3.84Å; F177-I253 HydrophobicContact CZ-CG2 4.29Å; F177-L256 HydrophobicContact CE1-CB 4.37Å; F177-L256 HydrophobicContact CE1-CD1 4.09Å; F177-L256 HydrophobicContact CE2-CB 3.53Å; F177-L256 HydrophobicContact CZ-CB 3.46Å; F177-L256 VanDerWaalsContact CZ-CB 3.46Å; F177-L256 HydrophobicContact CZ-CD1 3.97Å; F177-L256 HydrophobicContact CZ-CG 4.33Å; F177-L257 HydrophobicContact CD2-CD2 3.83Å; F177-L257 HydrophobicContact CE2-CD2 3.49Å; F177-L257 VanDerWaalsContact CE2-CD2 3.49Å; F177-L257 HydrophobicContact CE2-CG 3.8Å; F177-L257 HydrophobicContact CZ-CD2 4.49Å |
| 178 | C | 94.6 | Very high | 81.2 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -145.5 | 170.4 | 178.8 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | F174 L224 R225 Q227 K265 | F174-C178 PolarHBondContact O-N 3.08Å; C178-L224 HydrophobicContact CB-CB 3.56Å; C178-L224 HydrophobicContact CB-CD1 3.95Å; C178-L224 HydrophobicContact CB-CG 4.4Å; C178-R225 WeakPolarHBondContact CB-O 3.45Å; C178-Q227 HydrophobicContact CB-CB 4.5Å; C178-K265 WeakPolarHBondContact O-CD 3.43Å |
| 179 | K | 90.1 | Very high | 80.5 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | trans | -89.1 | 117.9 | 165.2 | -174.1 | 166.4 | -174.9 | 166.2 | 0 | 109.5 | R225 H226 | K179-R225 PolarHBondContact N-O 3.18Å; K179-H226 HydrophobicContact CB-CB 4.35Å; K179-H226 VanDerWaalsContact CB-CD2 3.49Å; K179-H226 WeakPolarHBondContact CB-CD2 3.06Å | ||
| 180 | I | 82.9 | Confident | 80.1 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | trans | -82.6 | 137.8 | 173.8 | -56.5 | 175.2 | 0 | 0 | 0 | 107.9 | R175 S182 | R175-I180 HydrophobicContact CB-CD1 4.08Å; I180-S182 PolarHBondContact O-N 2.88Å | ||
| 181 | D | 73.5 | Confident | 80 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | trans | -75.2 | 111.1 | 175.2 | -61.6 | -47.7 | 0 | 0 | 0 | 109.3 | G183 Q188 R225 | D181-G183 PolarHBondContact O-N 3.06Å; D181-Q188 PolarHBondContact OD2-NE2 2.94Å; D181-Q188 VanDerWaalsContact OD2-NE2 3.11Å; D181-R225 IonicContact OD1-NH1 3.45Å; D181-R225 PolarHBondContact OD1-NH1 3.48Å | ||
| 182 | S | 62.1 | Low | 80 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 89% | 0.888 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 12.4 | -173.5 | -45.9 | 0 | 0 | 0 | 0 | 115.8 | I180 | I180-S182 PolarHBondContact O-N 2.88Š|
| 183 | G | 55.9 | Low | 80 | Confident | 75 Ų | 75 | 64 Ų | 64 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.1 | -6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D181 | D181-G183 PolarHBondContact O-N 3.06Š|
| 184 | S | 51.9 | Low | 80.1 | Confident | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | trans | -93.4 | 114.9 | 176.2 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | V186 | S184-V186 PolarHBondContact O-N 3.44Š| ||
| 185 | N | 48.4 | Very low | 80.2 | Confident | 176 Ų | 176 | 69.2 Ų | 69.2 | 94% | 0.941 | 38% | 0.384 | S | S | * | . | trans | -63.3 | -3.3 | 165.5 | -73.4 | -16.6 | 0 | 0 | 0 | 113 | ||||
| 186 | V | 53.1 | Low | 80.4 | Confident | 111 Ų | 111 | 69 Ų | 69 | 67% | 0.673 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -78.7 | 123.2 | 175.7 | -175 | 0 | 0 | 0 | 0 | 108.9 | S184 Q188 | S184-V186 PolarHBondContact O-N 3.44Å; V186-Q188 PolarHBondContact O-N 2.88Å |
| 187 | V | 55.1 | Low | 80.5 | Confident | 136 Ų | 136 | 69.4 Ų | 69.4 | 82% | 0.824 | 39% | 0.394 | S | S | * | . | trans | -56.2 | 102.8 | 166 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | H189 | V187-H189 PolarHBondContact O-N 2.58Š| ||
| 188 | Q | 64.7 | Low | 80.6 | Confident | 64 Ų | 64 | 74.6 Ų | 74.6 | 30% | 0.299 | 41% | 0.414 | S | S | . | . | trans | -68 | 127.5 | 174.4 | -68.8 | -165.9 | -5.6 | 0 | 0 | 108.3 | D181 V186 C190 | D181-Q188 PolarHBondContact OD2-NE2 2.94Å; D181-Q188 VanDerWaalsContact OD2-NE2 3.11Å; V186-Q188 PolarHBondContact O-N 2.88Å; Q188-C190 PolarHBondContact O-N 3.1Å; Q188-C190 PolarHBondContact O-SG 3.42Å | ||
| 189 | H | 83.8 | Confident | 80.8 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | trans | -68.5 | 96.5 | 170.9 | -172.4 | -83 | 0 | 0 | 0 | 108.9 | V187 V191 R192 | V187-H189 PolarHBondContact O-N 2.58Å; H189-V191 VanDerWaalsContact C-N 3.3Å; H189-V191 VanDerWaalsContact CE1-CB 3.47Å; H189-V191 WeakPolarHBondContact CE1-CB 3.38Å; H189-V191 PolarHBondContact ND1-O 3.46Å; H189-R192 PolarHBondContact O-NH1 2.9Å | ||
| 190 | C | 91.2 | Very high | 81.2 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 5% | 0.054 | 41% | 0.405 | C | S | . | . | trans | -84.8 | -0.7 | -178.1 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | D173 F174 R175 Q188 R192 L224 | D173-C190 WeakPolarHBondContact OD1-CB 3.39Å; F174-C190 PolarHBondContact N-O 3.12Å; R175-C190 HydrophobicContact CB-CB 4.03Å; Q188-C190 PolarHBondContact O-N 3.1Å; Q188-C190 PolarHBondContact O-SG 3.42Å; C190-R192 PolarHBondContact O-N 3.05Å; C190-L224 HydrophobicContact CB-CD1 4.01Å | ||
| 191 | V | 96.6 | Very high | 81.9 | Confident | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.327 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.4 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | H172 D173 H189 | H172-V191 WeakPolarHBondContact O-CA 3.45Å; D173-V191 HydrophobicContact CB-CG2 4.08Å; H189-V191 VanDerWaalsContact C-N 3.3Å; H189-V191 VanDerWaalsContact CE1-CB 3.47Å; H189-V191 WeakPolarHBondContact CE1-CB 3.38Å; H189-V191 PolarHBondContact ND1-O 3.46Å |
| 192 | R | 97.1 | Very high | 83.1 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.1 | 172.5 | -61.7 | -63.5 | -179.3 | -89 | 2.6 | 109.7 | S171 H172 F174 H189 C190 A222 L224 | S171-R192 WeakPolarHBondContact CA-O 3.28Å; H172-R192 PolarHBondContact N-O 3.47Å; H172-R192 VanDerWaalsContact N-O 3.08Å; H172-R192 PolarHBondContact O-N 2.9Å; F174-R192 HydrophobicContact CD2-CB 3.73Å; F174-R192 HydrophobicContact CD2-CG 4.32Å; F174-R192 HydrophobicContact CE2-CB 3.92Å; F174-R192 WeakPolarHBondContact CE2-O 3.36Å; H189-R192 PolarHBondContact O-NH1 2.9Å; C190-R192 PolarHBondContact O-N 3.05Å; R192-A222 VanDerWaalsContact CD-O 3.31Å; R192-A222 WeakPolarHBondContact CD-O 3.05Å; R192-L224 HydrophobicContact CG-CG 4.31Å |
| 193 | T | 98.3 | Very high | 84.7 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 31% | 0.307 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 106.7 | 177.1 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | G170 S171 A220 N221 | G170-T193 WeakPolarHBondContact O-CA 3.47Å; S171-T193 WeakPolarHBondContact OG-CG2 3.44Å; S171-T193 PolarHBondContact OG-OG1 3.25Å; T193-A220 VanDerWaalsContact O-CA 3.32Å; T193-A220 WeakPolarHBondContact O-CA 3.4Å; T193-A220 WeakPolarHBondContact O-CB 3.45Å; T193-N221 PolarHBondContact N-OD1 3.19Å; T193-N221 PolarHBondContact O-N 2.95Å; T193-N221 PolarHBondContact O-OD1 2.91Å |
| 194 | V | 98.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.8 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | L168 V169 G170 F174 T196 A197 V218 A220 | L168-V194 VanDerWaalsContact O-CB 3.25Å; L168-V194 WeakPolarHBondContact O-CB 3.41Å; V169-V194 HydrophobicContact CG2-CG1 4.42Å; G170-V194 PolarHBondContact N-O 3.32Å; G170-V194 PolarHBondContact O-N 3.09Å; F174-V194 HydrophobicContact CE1-CG2 4.44Å; F174-V194 HydrophobicContact CE2-CG2 4.01Å; F174-V194 HydrophobicContact CZ-CG2 3.58Å; V194-T196 WeakPolarHBondContact CG1-O 3.27Å; V194-A197 HydrophobicContact CG1-CB 4.21Å; V194-V218 HydrophobicContact CG1-CG2 3.95Å; V194-A220 HydrophobicContact CG2-CB 4.16Å |
| 195 | R | 98.6 | Very high | 88.5 | Confident | 131 Ų | 131 | 70 Ų | 70 | 49% | 0.494 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -42.9 | 179.8 | -61.6 | -174.9 | -179.8 | 98.3 | -4.6 | 111.6 | K143 S219 A220 | K143-R195 PolarHBondContact O-NH1 3.22Å; K143-R195 PolarHBondContact O-NH2 3.32Å; R195-S219 PolarHBondContact N-O 3.29Å; R195-A220 PolarHBondContact NH1-O 2.71Å |
| 196 | T | 98.7 | Very high | 90.6 | Very high | 68 Ų | 68 | 69 Ų | 69 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.2 | 178.5 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | V194 V218 S219 | V194-T196 WeakPolarHBondContact CG1-O 3.27Å; T196-V218 CarbonylContact O-C 3.41Å; T196-V218 WeakPolarHBondContact O-CA 3.17Å; T196-V218 WeakPolarHBondContact O-CG2 3.42Å; T196-S219 PolarHBondContact N-O 3.45Å; T196-S219 PolarHBondContact O-N 3.24Å; T196-S219 VanDerWaalsContact OG1-CB 3.31Å; T196-S219 WeakPolarHBondContact OG1-CB 3.45Å; T196-S219 PolarHBondContact OG1-OG 2.88Å |
| 197 | A | 98.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 69.4 Ų | 69.4 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 128.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S165 L168 V169 V194 F216 E217 V218 | S165-A197 VanDerWaalsContact O-CB 3.29Å; S165-A197 WeakPolarHBondContact O-CB 3.42Å; L168-A197 HydrophobicContact CB-CB 4.25Å; L168-A197 HydrophobicContact CD1-CB 4.28Å; V169-A197 HydrophobicContact CG2-CB 4.15Å; V194-A197 HydrophobicContact CG1-CB 4.21Å; A197-F216 HydrophobicContact CB-CE2 4.27Å; A197-E217 CarbonylContact C-O 3.58Å; A197-E217 WeakPolarHBondContact CA-O 3.32Å; A197-V218 HydrophobicContact CB-CG2 4.34Å |
| 198 | R | 98.7 | Very high | 94.3 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 41% | 0.408 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 151.9 | 178.9 | 61.5 | -174 | -115.5 | -109.5 | 1 | 112.2 | D162 Y200 F216 E217 | D162-R198 VanDerWaalsContact OD1-CA 3.27Å; D162-R198 WeakPolarHBondContact OD1-CA 3.43Å; R198-Y200 HydrophobicContact CG-CD1 3.96Å; R198-Y200 HydrophobicContact CG-CE1 4.11Å; R198-Y200 VanDerWaalsContact NE-CD1 3.33Å; R198-F216 WeakPolarHBondContact O-CA 3.29Å; R198-F216 WeakPolarHBondContact O-CD2 3.39Å; R198-E217 HydrophobicContact CG-CB 4.16Å; R198-E217 IonicContact CZ-OE2 2.78Å; R198-E217 PolarHBondContact N-O 3.28Å; R198-E217 IonicContact NH1-OE1 3.01Å; R198-E217 IonicContact NH1-OE2 3.98Å; R198-E217 PolarHBondContact NH1-OE2 2.85Å; R198-E217 IonicContact NH2-OE2 2.81Å; R198-E217 PolarHBondContact O-N 3.06Å |
| 199 | V | 98.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.1 | 172.7 | -170 | 0 | 0 | 0 | 0 | 108.9 | F151 I158 M161 D162 C215 F216 L235 | F151-V199 HydrophobicContact CE1-CG1 4.36Å; F151-V199 HydrophobicContact CZ-CG1 3.78Å; I158-V199 HydrophobicContact CG2-CG1 4.08Å; M161-V199 HydrophobicContact CB-CB 4.22Å; M161-V199 HydrophobicContact CB-CG1 4.07Å; M161-V199 HydrophobicContact CB-CG2 4.09Å; M161-V199 HydrophobicContact CE-CG1 4.44Å; D162-V199 HydrophobicContact CB-CB 4.02Å; D162-V199 WeakPolarHBondContact CB-O 3.37Å; D162-V199 PolarHBondContact OD1-N 3.43Å; V199-C215 WeakPolarHBondContact CA-O 3.33Å; V199-F216 HydrophobicContact CG2-CB 4.29Å; V199-F216 HydrophobicContact CG2-CD2 3.82Å; V199-F216 HydrophobicContact CG2-CG 4.47Å; V199-L235 HydrophobicContact CG2-CD1 4.19Å |
| 200 | Y | 98.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.5 | -177.4 | 62.3 | -80.7 | 0 | 0 | 0 | 110.8 | R198 L202 C214 C215 E217 | R198-Y200 HydrophobicContact CG-CD1 3.96Å; R198-Y200 HydrophobicContact CG-CE1 4.11Å; R198-Y200 VanDerWaalsContact NE-CD1 3.33Å; Y200-L202 HydrophobicContact CD2-CD2 4.43Å; Y200-L202 HydrophobicContact CE2-CD2 3.76Å; Y200-C214 CarbonylContact O-C 3.59Å; Y200-C214 WeakPolarHBondContact O-CA 3.29Å; Y200-C214 WeakPolarHBondContact O-CB 3.35Å; Y200-C215 HydrophobicContact CE1-CB 4.04Å; Y200-C215 HydrophobicContact CE2-CB 4.18Å; Y200-C215 PolarHBondContact N-O 2.77Å; Y200-C215 PolarHBondContact O-N 2.82Å; Y200-E217 HydrophobicContact CE1-CB 4Å; Y200-E217 PolarHBondContact OH-OE2 2.81Å |
| 201 | C | 98.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 151.4 | 171.6 | -59 | 0 | 0 | 0 | 0 | 111.7 | V203 Q208 C214 | C201-V203 PolarHBondContact O-N 2.89Å; C201-Q208 HydrophobicContact CB-CG 4.21Å; C201-C214 HydrophobicContact CB-CB 4.05Å; C201-C214 WeakPolarHBondContact CB-SG 3.32Å; C201-C214 WeakPolarHBondContact SG-CB 3.49Å; C201-C214 CovalentContact SG-SG 2.07Å; C201-C214 PolarHBondContact SG-SG 3.2Å |
| 202 | L | 97.8 | Very high | 95.6 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -77.4 | -7.6 | -177.2 | -58.5 | -171.4 | 0 | 0 | 0 | 112.9 | F150 Y200 M213 C215 | F150-L202 HydrophobicContact CD1-CD1 4.22Å; F150-L202 HydrophobicContact CE1-CD1 4.15Å; F150-L202 HydrophobicContact CE1-CD2 4.48Å; Y200-L202 HydrophobicContact CD2-CD2 4.43Å; Y200-L202 HydrophobicContact CE2-CD2 3.76Å; L202-M213 WeakPolarHBondContact CB-O 3.32Å; L202-M213 HydrophobicContact CD1-CB 3.99Å; L202-M213 HydrophobicContact CD1-CG 3.85Å; L202-M213 HydrophobicContact CG-CB 4.34Å; L202-M213 HydrophobicContact CG-CG 4.45Å; L202-M213 WeakPolarHBondContact CG-O 3.38Å; L202-M213 PolarHBondContact N-O 3.17Å; L202-C215 HydrophobicContact CD2-CB 4.05Å |
| 203 | V | 96.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -120.1 | 151.6 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | C201 Q208 | C201-V203 PolarHBondContact O-N 2.89Å; V203-Q208 HydrophobicContact CG2-CG 3.8Å; V203-Q208 PolarHBondContact O-NE2 3.04Å |
| 204 | P | 95.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | trans | -55.1 | 154 | 174.1 | -25 | 34.7 | 0 | 0 | 0 | 113.2 | E206 L207 Q208 | P204-E206 VanDerWaalsContact C-N 3.26Å; P204-E206 VanDerWaalsContact CB-CD 3.42Å; P204-E206 HydrophobicContact CB-CG 4.3Å; P204-E206 WeakPolarHBondContact CB-OE1 3.44Å; P204-E206 PolarHBondContact O-N 3.24Å; P204-L207 PolarHBondContact O-N 3.08Å; P204-Q208 WeakPolarHBondContact O-CG 3.4Å; P204-Q208 PolarHBondContact O-N 3.33Å | ||
| 205 | S | 91.7 | Very high | 95.6 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 58% | 0.58 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -57.8 | -38.5 | -171.6 | -166.2 | 0 | 0 | 0 | 0 | 113.2 | L207 Q208 | S205-L207 PolarHBondContact O-N 3.42Å; S205-Q208 WeakPolarHBondContact O-CB 3.49Å; S205-Q208 PolarHBondContact O-N 2.82Å |
| 206 | E | 92.6 | Very high | 95.6 | Very high | 156 Ų | 156 | 55.3 Ų | 55.3 | 73% | 0.729 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -67.8 | -17.5 | 179.3 | 59.3 | -84.9 | -167.3 | 0 | 0 | 113.9 | P204 | P204-E206 VanDerWaalsContact C-N 3.26Å; P204-E206 VanDerWaalsContact CB-CD 3.42Å; P204-E206 HydrophobicContact CB-CG 4.3Å; P204-E206 WeakPolarHBondContact CB-OE1 3.44Å; P204-E206 PolarHBondContact O-N 3.24Å |
| 207 | L | 93.5 | Very high | 95.6 | Very high | 118 Ų | 118 | 53.5 Ų | 53.5 | 62% | 0.618 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -106.7 | 3.5 | 177.4 | -60.8 | -179.8 | 0 | 0 | 0 | 112.8 | P204 S205 | P204-L207 PolarHBondContact O-N 3.08Å; S205-L207 PolarHBondContact O-N 3.42Å |
| 208 | Q | 91.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | trans | -74.9 | 136.6 | -176.7 | -73.3 | 175.4 | 27.1 | 0 | 0 | 112 | K153 C201 V203 P204 S205 S212 | K153-Q208 HydrophobicContact CD-CB 4.27Å; C201-Q208 HydrophobicContact CB-CG 4.21Å; V203-Q208 HydrophobicContact CG2-CG 3.8Å; V203-Q208 PolarHBondContact O-NE2 3.04Å; P204-Q208 WeakPolarHBondContact O-CG 3.4Å; P204-Q208 PolarHBondContact O-N 3.33Å; S205-Q208 WeakPolarHBondContact O-CB 3.49Å; S205-Q208 PolarHBondContact O-N 2.82Å; Q208-S212 WeakPolarHBondContact CA-OG 3.34Å | ||
| 209 | N | 90.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | trans | -138.3 | 179.6 | 172 | 60.1 | 34 | 0 | 0 | 0 | 109.8 | K211 S212 | N209-K211 PolarHBondContact O-N 3.27Å; N209-K211 PolarHBondContact OD1-N 3.31Å; N209-K211 VanDerWaalsContact OD1-N 3.08Å; N209-S212 PolarHBondContact N-OG 3.37Å; N209-S212 WeakPolarHBondContact O-CB 3.4Å; N209-S212 PolarHBondContact O-N 2.96Å; N209-S212 PolarHBondContact O-OG 3.12Å; N209-S212 PolarHBondContact OD1-N 2.74Å; N209-S212 PolarHBondContact OD1-OG 3.37Å | ||
| 210 | A | 89.2 | Confident | 95.6 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K153 G154 S212 I346 | K153-A210 PolarHBondContact N-O 2.83Å; G154-A210 PolarHBondContact N-O 2.75Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-I346 HydrophobicContact CB-CG2 3.81Å |
| 211 | K | 90.4 | Very high | 95.5 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 32% | 0.317 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11 | 179.3 | -59.7 | -167 | -70.8 | -179.1 | 0 | 113.3 | N209 M213 E317 E321 I346 M349 | N209-K211 PolarHBondContact O-N 3.27Å; N209-K211 PolarHBondContact OD1-N 3.31Å; N209-K211 VanDerWaalsContact OD1-N 3.08Å; K211-M213 PolarHBondContact O-N 3.09Å; K211-E317 IonicContact NZ-OE2 3.59Å; K211-E317 PolarHBondContact NZ-OE2 2.96Å; K211-E321 IonicContact NZ-OE1 3.09Å; K211-I346 HydrophobicContact CD-CD1 4.35Å; K211-I346 HydrophobicContact CG-CD1 4.23Å; K211-M349 HydrophobicContact CG-SD 4.4Å |
| 212 | S | 94.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -60.1 | 128.1 | -177.1 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | K153 Q208 N209 A210 | K153-S212 WeakPolarHBondContact CB-O 3.27Å; K153-S212 PolarHBondContact N-O 3Å; Q208-S212 WeakPolarHBondContact CA-OG 3.34Å; N209-S212 PolarHBondContact N-OG 3.37Å; N209-S212 WeakPolarHBondContact O-CB 3.4Å; N209-S212 PolarHBondContact O-N 2.96Å; N209-S212 PolarHBondContact O-OG 3.12Å; N209-S212 PolarHBondContact OD1-N 2.74Å; N209-S212 PolarHBondContact OD1-OG 3.37Å; A210-S212 VanDerWaalsContact C-N 3.31Å | ||
| 213 | M | 97 | Very high | 95.4 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 38% | 0.384 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 132.1 | -179.4 | -166.8 | 61.7 | 61.6 | 0 | 0 | 110 | F150 L202 K211 | F150-M213 HydrophobicContact CB-CG 4.38Å; F150-M213 HydrophobicContact CB-SD 4Å; F150-M213 HydrophobicContact CD1-CG 4.42Å; L202-M213 WeakPolarHBondContact CB-O 3.32Å; L202-M213 HydrophobicContact CD1-CB 3.99Å; L202-M213 HydrophobicContact CD1-CG 3.85Å; L202-M213 HydrophobicContact CG-CB 4.34Å; L202-M213 HydrophobicContact CG-CG 4.45Å; L202-M213 WeakPolarHBondContact CG-O 3.38Å; L202-M213 PolarHBondContact N-O 3.17Å; K211-M213 PolarHBondContact O-N 3.09Å |
| 214 | C | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 166.4 | 174.4 | -46.7 | 0 | 0 | 0 | 0 | 111 | F150 F151 I158 Y200 C201 | F150-C214 CarbonylContact C-O 3.54Å; F150-C214 VanDerWaalsContact CA-O 3.32Å; F150-C214 WeakPolarHBondContact CA-O 3.42Å; F151-C214 HydrophobicContact CD2-CB 4.32Å; F151-C214 HydrophobicContact CE1-CB 4.45Å; F151-C214 HydrophobicContact CE2-CB 3.87Å; F151-C214 HydrophobicContact CZ-CB 3.94Å; F151-C214 PolarHBondContact N-O 2.96Å; F151-C214 PolarHBondContact O-N 3.35Å; I158-C214 HydrophobicContact CD1-CB 4.2Å; Y200-C214 CarbonylContact O-C 3.59Å; Y200-C214 WeakPolarHBondContact O-CA 3.29Å; Y200-C214 WeakPolarHBondContact O-CB 3.35Å; C201-C214 HydrophobicContact CB-CB 4.05Å; C201-C214 WeakPolarHBondContact CB-SG 3.32Å; C201-C214 WeakPolarHBondContact SG-CB 3.49Å; C201-C214 CovalentContact SG-SG 2.07Å; C201-C214 PolarHBondContact SG-SG 3.2Å |
| 215 | C | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 127.3 | -167.5 | 178 | 0 | 0 | 0 | 0 | 109.9 | Y149 F150 V199 Y200 L202 | Y149-C215 CarbonylContact O-C 3.58Å; Y149-C215 WeakPolarHBondContact O-CA 3.48Å; F150-C215 HydrophobicContact CD1-CB 4.01Å; F150-C215 HydrophobicContact CE1-CB 4.06Å; V199-C215 WeakPolarHBondContact CA-O 3.33Å; Y200-C215 HydrophobicContact CE1-CB 4.04Å; Y200-C215 HydrophobicContact CE2-CB 4.18Å; Y200-C215 PolarHBondContact N-O 2.77Å; Y200-C215 PolarHBondContact O-N 2.82Å; L202-C215 HydrophobicContact CD2-CB 4.05Å |
| 216 | F | 98.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.1 | 158.5 | 169.4 | -123.3 | 0 | 0 | 0 | 108.7 | K148 Y149 F151 L168 A197 R198 V199 V218 I228 I231 V232 L235 | K148-F216 CarbonylContact C-O 3.56Å; K148-F216 WeakPolarHBondContact CA-O 3.47Å; Y149-F216 PolarHBondContact N-O 3.31Å; Y149-F216 PolarHBondContact O-N 2.69Å; F151-F216 HydrophobicContact CE1-CB 4.38Å; L168-F216 HydrophobicContact CD1-CE2 4.31Å; L168-F216 HydrophobicContact CD1-CZ 4.02Å; A197-F216 HydrophobicContact CB-CE2 4.27Å; R198-F216 WeakPolarHBondContact O-CA 3.29Å; R198-F216 WeakPolarHBondContact O-CD2 3.39Å; V199-F216 HydrophobicContact CG2-CB 4.29Å; V199-F216 HydrophobicContact CG2-CD2 3.82Å; V199-F216 HydrophobicContact CG2-CG 4.47Å; F216-V218 HydrophobicContact CD1-CG1 4.46Å; F216-V218 HydrophobicContact CE1-CB 4.03Å; F216-V218 HydrophobicContact CE1-CG1 3.7Å; F216-V218 HydrophobicContact CE2-CB 4.07Å; F216-V218 HydrophobicContact CZ-CB 3.58Å; F216-V218 HydrophobicContact CZ-CG1 3.8Å; F216-V218 HydrophobicContact CZ-CG2 4.14Å; F216-I228 HydrophobicContact CD1-CG2 4.41Å; F216-I228 HydrophobicContact CE1-CG2 4.13Å; F216-I231 HydrophobicContact CE1-CG2 3.74Å; F216-I231 HydrophobicContact CZ-CG2 3.65Å; F216-V232 HydrophobicContact CD1-CG2 3.49Å; F216-V232 VanDerWaalsContact CD1-CG2 3.49Å; F216-V232 HydrophobicContact CE1-CG2 4.07Å; F216-V232 HydrophobicContact CG-CG2 4.36Å; F216-L235 HydrophobicContact CD1-CD1 4.31Å; F216-L235 HydrophobicContact CD2-CD1 3.78Å; F216-L235 HydrophobicContact CE1-CD1 4.36Å; F216-L235 HydrophobicContact CE2-CD1 3.86Å; F216-L235 HydrophobicContact CG-CD1 4Å; F216-L235 HydrophobicContact CZ-CD1 4.14Å |
| 217 | E | 98.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 36 Ų | 36 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.8 | 177.3 | -178.7 | 174.5 | 176.9 | 0 | 0 | 110.1 | T146 Y147 K148 A197 R198 Y200 | T146-E217 HydrophobicContact CG2-CG 4.18Å; Y147-E217 WeakPolarHBondContact O-CA 2.95Å; K148-E217 WeakPolarHBondContact CE-OE2 3.33Å; K148-E217 HydrophobicContact CG-CB 4.16Å; K148-E217 HydrophobicContact CG-CG 4.02Å; K148-E217 IonicContact NZ-OE2 3.03Å; K148-E217 PolarHBondContact NZ-OE2 3.35Å; A197-E217 CarbonylContact C-O 3.58Å; A197-E217 WeakPolarHBondContact CA-O 3.32Å; R198-E217 HydrophobicContact CG-CB 4.16Å; R198-E217 IonicContact CZ-OE2 2.78Å; R198-E217 PolarHBondContact N-O 3.28Å; R198-E217 IonicContact NH1-OE1 3.01Å; R198-E217 IonicContact NH1-OE2 3.98Å; R198-E217 PolarHBondContact NH1-OE2 2.85Å; R198-E217 IonicContact NH2-OE2 2.81Å; R198-E217 PolarHBondContact O-N 3.06Å; Y200-E217 HydrophobicContact CE1-CB 4Å; Y200-E217 PolarHBondContact OH-OE2 2.81Å |
| 218 | V | 98.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 133.7 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | T146 Y147 V194 T196 A197 F216 F223 I228 | T146-V218 WeakPolarHBondContact CA-O 3.25Å; Y147-V218 PolarHBondContact N-O 3.22Å; Y147-V218 PolarHBondContact O-N 3.43Å; V194-V218 HydrophobicContact CG1-CG2 3.95Å; T196-V218 CarbonylContact O-C 3.41Å; T196-V218 WeakPolarHBondContact O-CA 3.17Å; T196-V218 WeakPolarHBondContact O-CG2 3.42Å; A197-V218 HydrophobicContact CB-CG2 4.34Å; F216-V218 HydrophobicContact CD1-CG1 4.46Å; F216-V218 HydrophobicContact CE1-CB 4.03Å; F216-V218 HydrophobicContact CE1-CG1 3.7Å; F216-V218 HydrophobicContact CE2-CB 4.07Å; F216-V218 HydrophobicContact CZ-CB 3.58Å; F216-V218 HydrophobicContact CZ-CG1 3.8Å; F216-V218 HydrophobicContact CZ-CG2 4.14Å; V218-F223 HydrophobicContact CG1-CE1 4.35Å; V218-F223 HydrophobicContact CG1-CZ 4.2Å; V218-F223 HydrophobicContact CG2-CE1 4.02Å; V218-F223 HydrophobicContact CG2-CZ 4.15Å; V218-I228 HydrophobicContact CG1-CD1 3.6Å; V218-I228 HydrophobicContact CG1-CG1 4.48Å; V218-I228 HydrophobicContact CG1-CG2 4.42Å |
| 219 | S | 98.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 14% | 0.14 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.2 | 175 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | R145 T146 R195 T196 | R145-S219 VanDerWaalsContact O-CA 3.3Å; R145-S219 WeakPolarHBondContact O-CA 3.46Å; T146-S219 WeakPolarHBondContact CB-OG 3.49Å; T146-S219 VanDerWaalsContact CG2-OG 3.31Å; T146-S219 WeakPolarHBondContact CG2-OG 3.45Å; T146-S219 PolarHBondContact OG1-OG 3.06Å; R195-S219 PolarHBondContact N-O 3.29Å; T196-S219 PolarHBondContact N-O 3.45Å; T196-S219 PolarHBondContact O-N 3.24Å; T196-S219 VanDerWaalsContact OG1-CB 3.31Å; T196-S219 WeakPolarHBondContact OG1-CB 3.45Å; T196-S219 PolarHBondContact OG1-OG 2.88Å |
| 220 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 169.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G144 R145 T193 V194 R195 F223 | G144-A220 CarbonylContact C-O 3.54Å; G144-A220 WeakPolarHBondContact CA-O 3.26Å; R145-A220 PolarHBondContact N-O 2.8Å; R145-A220 PolarHBondContact O-N 2.68Å; R145-A220 VanDerWaalsContact O-N 3.08Å; T193-A220 VanDerWaalsContact O-CA 3.32Å; T193-A220 WeakPolarHBondContact O-CA 3.4Å; T193-A220 WeakPolarHBondContact O-CB 3.45Å; V194-A220 HydrophobicContact CG2-CB 4.16Å; R195-A220 PolarHBondContact NH1-O 2.71Å; A220-F223 HydrophobicContact CB-CD1 4.12Å; A220-F223 HydrophobicContact CB-CE1 3.42Å; A220-F223 VanDerWaalsContact CB-CE1 3.42Å; A220-F223 HydrophobicContact CB-CE2 3.95Å; A220-F223 HydrophobicContact CB-CZ 3.35Å |
| 221 | N | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 24.2 Ų | 24.2 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -65.8 | -39.2 | 173 | 66.6 | -33.3 | 0 | 0 | 0 | 112.4 | R145 T193 | R145-N221 PolarHBondContact NH1-O 3.18Å; T193-N221 PolarHBondContact N-OD1 3.19Å; T193-N221 PolarHBondContact O-N 2.95Å; T193-N221 PolarHBondContact O-OD1 2.91Å |
| 222 | A | 95.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 20.8 Ų | 20.8 | 21% | 0.207 | 10% | 0.102 | C | C | . | . | trans | -160 | 168.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | R192 | R192-A222 VanDerWaalsContact CD-O 3.31Å; R192-A222 WeakPolarHBondContact CD-O 3.05Å | ||
| 223 | F | 96.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 20.9 Ų | 20.9 | 14% | 0.14 | 10% | 0.103 | C | C | . | . | trans | -126.9 | 149.9 | 175.6 | -62.7 | -77 | 0 | 0 | 0 | 110.5 | R145 Y147 V218 A220 Q227 I228 | R145-F223 HydrophobicContact CB-CD2 4.12Å; R145-F223 HydrophobicContact CB-CE2 3.82Å; R145-F223 WeakPolarHBondContact O-CE2 3.39Å; Y147-F223 AromaticContact CD2-CD2 3.75Å; Y147-F223 HydrophobicContact CD2-CD2 3.75Å; Y147-F223 AromaticContact CD2-CE2 3.48Å; Y147-F223 HydrophobicContact CD2-CE2 3.48Å; Y147-F223 VanDerWaalsContact CD2-CE2 3.48Å; Y147-F223 HydrophobicContact CD2-CZ 4.18Å; Y147-F223 AromaticContact CE2-CD2 3.56Å; Y147-F223 HydrophobicContact CE2-CD2 3.56Å; Y147-F223 AromaticContact CE2-CE2 3.76Å; Y147-F223 HydrophobicContact CE2-CE2 3.76Å; Y147-F223 HydrophobicContact CE2-CG 4.45Å; V218-F223 HydrophobicContact CG1-CE1 4.35Å; V218-F223 HydrophobicContact CG1-CZ 4.2Å; V218-F223 HydrophobicContact CG2-CE1 4.02Å; V218-F223 HydrophobicContact CG2-CZ 4.15Å; A220-F223 HydrophobicContact CB-CD1 4.12Å; A220-F223 HydrophobicContact CB-CE1 3.42Å; A220-F223 VanDerWaalsContact CB-CE1 3.42Å; A220-F223 HydrophobicContact CB-CE2 3.95Å; A220-F223 HydrophobicContact CB-CZ 3.35Å; F223-Q227 VanDerWaalsContact CA-OE1 3.31Å; F223-Q227 HydrophobicContact CB-CB 4.36Å; F223-I228 HydrophobicContact CD1-CD1 3.32Å; F223-I228 HydrophobicContact CD1-CG1 4.27Å; F223-I228 HydrophobicContact CE1-CD1 3.3Å; F223-I228 HydrophobicContact CE1-CG1 4.48Å; F223-I228 HydrophobicContact CE2-CD1 4.48Å; F223-I228 HydrophobicContact CG-CD1 3.95Å; F223-I228 HydrophobicContact CG-CG1 4.44Å; F223-I228 HydrophobicContact CZ-CD1 3.9Å | ||
| 224 | L | 95.1 | Very high | 97.5 | Very high | 17 Ų | 17 | 17.1 Ų | 17.1 | 9% | 0.089 | 9% | 0.085 | C | C | . | . | trans | -77.6 | 167.2 | 169.3 | -64.9 | 165.9 | 0 | 0 | 0 | 110.4 | F174 C178 C190 R192 H226 Q227 | F174-L224 HydrophobicContact CB-CD1 3.74Å; C178-L224 HydrophobicContact CB-CB 3.56Å; C178-L224 HydrophobicContact CB-CD1 3.95Å; C178-L224 HydrophobicContact CB-CG 4.4Å; C190-L224 HydrophobicContact CB-CD1 4.01Å; R192-L224 HydrophobicContact CG-CG 4.31Å; L224-H226 PolarHBondContact O-N 3.29Å; L224-Q227 HydrophobicContact CB-CB 4.1Å; L224-Q227 VanDerWaalsContact O-CB 3.29Å; L224-Q227 WeakPolarHBondContact O-CB 3.44Å; L224-Q227 PolarHBondContact O-N 3.08Å; L224-Q227 VanDerWaalsContact O-N 3.11Å | ||
| 225 | R | 93.5 | Very high | 97.5 | Very high | 107 Ų | 107 | 17.2 Ų | 17.2 | 40% | 0.404 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 129.1 | 177.6 | -175.1 | -177.3 | 170 | -157.2 | -0.4 | 110.7 | C178 K179 D181 Q227 | C178-R225 WeakPolarHBondContact CB-O 3.45Å; K179-R225 PolarHBondContact N-O 3.18Å; D181-R225 IonicContact OD1-NH1 3.45Å; D181-R225 PolarHBondContact OD1-NH1 3.48Å; R225-Q227 PolarHBondContact O-N 2.95Å; R225-Q227 VanDerWaalsContact O-N 3.12Å |
| 226 | H | 94.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 8% | 0.083 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 12.9 | -177.2 | -54.2 | -42.6 | 0 | 0 | 0 | 115.2 | D68 K179 L224 I228 R229 C230 M270 | D68-H226 IonicContact OD1-CE1 3.26Å; D68-H226 PolarHBondContact OD1-CE1 2.85Å; D68-H226 IonicContact OD1-ND1 3.31Å; D68-H226 PolarHBondContact OD1-ND1 2.69Å; D68-H226 IonicContact OD2-CE1 2.89Å; D68-H226 IonicContact OD2-CG 3.08Å; D68-H226 IonicContact OD2-ND1 3.12Å; D68-H226 PolarHBondContact OD2-ND1 3.09Å; K179-H226 HydrophobicContact CB-CB 4.35Å; K179-H226 VanDerWaalsContact CB-CD2 3.49Å; K179-H226 WeakPolarHBondContact CB-CD2 3.06Å; L224-H226 PolarHBondContact O-N 3.29Å; H226-I228 PolarHBondContact O-N 2.92Å; H226-R229 PolarHBondContact O-N 3.42Å; H226-R229 VanDerWaalsContact O-N 3.17Å; H226-C230 PolarHBondContact O-N 3.18Å; H226-M270 HydrophobicContact CB-SD 3.67Å |
| 227 | Q | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.7 | -48 | -167.6 | -176 | 178.3 | -13.7 | 0 | 0 | 113.3 | F174 F177 C178 F223 L224 R225 R229 C230 I231 | F174-Q227 VanDerWaalsContact CD1-NE2 3.31Å; F177-Q227 WeakPolarHBondContact O-CA 3.17Å; C178-Q227 HydrophobicContact CB-CB 4.5Å; F223-Q227 VanDerWaalsContact CA-OE1 3.31Å; F223-Q227 HydrophobicContact CB-CB 4.36Å; L224-Q227 HydrophobicContact CB-CB 4.1Å; L224-Q227 VanDerWaalsContact O-CB 3.29Å; L224-Q227 WeakPolarHBondContact O-CB 3.44Å; L224-Q227 PolarHBondContact O-N 3.08Å; L224-Q227 VanDerWaalsContact O-N 3.11Å; R225-Q227 PolarHBondContact O-N 2.95Å; R225-Q227 VanDerWaalsContact O-N 3.12Å; Q227-R229 VanDerWaalsContact C-N 3.34Å; Q227-R229 PolarHBondContact O-N 3.36Å; Q227-C230 PolarHBondContact O-N 3.42Å; Q227-I231 HydrophobicContact CG-CD1 3.86Å; Q227-I231 HydrophobicContact CG-CG1 4.47Å; Q227-I231 WeakPolarHBondContact O-CG1 3.34Å; Q227-I231 PolarHBondContact O-N 2.7Å |
| 228 | I | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | -177.4 | -53 | -49.2 | 0 | 0 | 0 | 111.4 | Y147 F216 V218 F223 H226 C230 I231 V232 L276 | Y147-I228 HydrophobicContact CD2-CG1 4.11Å; Y147-I228 HydrophobicContact CG-CG1 4.14Å; F216-I228 HydrophobicContact CD1-CG2 4.41Å; F216-I228 HydrophobicContact CE1-CG2 4.13Å; V218-I228 HydrophobicContact CG1-CD1 3.6Å; V218-I228 HydrophobicContact CG1-CG1 4.48Å; V218-I228 HydrophobicContact CG1-CG2 4.42Å; F223-I228 HydrophobicContact CD1-CD1 3.32Å; F223-I228 HydrophobicContact CD1-CG1 4.27Å; F223-I228 HydrophobicContact CE1-CD1 3.3Å; F223-I228 HydrophobicContact CE1-CG1 4.48Å; F223-I228 HydrophobicContact CE2-CD1 4.48Å; F223-I228 HydrophobicContact CG-CD1 3.95Å; F223-I228 HydrophobicContact CG-CG1 4.44Å; F223-I228 HydrophobicContact CZ-CD1 3.9Å; H226-I228 PolarHBondContact O-N 2.92Å; I228-C230 VanDerWaalsContact C-N 3.33Å; I228-C230 PolarHBondContact O-N 3.36Å; I228-I231 PolarHBondContact O-N 2.69Å; I228-V232 HydrophobicContact CG2-CG2 4.38Å; I228-V232 VanDerWaalsContact O-CG2 3.32Å; I228-V232 WeakPolarHBondContact O-CG2 3.44Å; I228-V232 PolarHBondContact O-N 3.44Å; I228-L276 HydrophobicContact CB-CD1 4.27Å; I228-L276 HydrophobicContact CB-CD2 4.16Å; I228-L276 HydrophobicContact CG2-CD1 3.6Å; I228-L276 HydrophobicContact CG2-CD2 4.29Å |
| 229 | R | 97.9 | Very high | 97 | Very high | 27 Ų | 27 | 16.1 Ų | 16.1 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.9 | -35.4 | -179.3 | -62.8 | 175.2 | 61.4 | -178.1 | -1.7 | 111.9 | D68 H226 Q227 A233 M270 A271 L276 | D68-R229 WeakPolarHBondContact OD2-CD 3.37Å; H226-R229 PolarHBondContact O-N 3.42Å; H226-R229 VanDerWaalsContact O-N 3.17Å; Q227-R229 VanDerWaalsContact C-N 3.34Å; Q227-R229 PolarHBondContact O-N 3.36Å; R229-A233 PolarHBondContact O-N 3.36Å; R229-M270 HydrophobicContact CB-CB 4Å; R229-M270 HydrophobicContact CB-CG 4.41Å; R229-A271 PolarHBondContact NE-O 3.38Å; R229-A271 PolarHBondContact NH2-O 2.95Å; R229-A271 WeakPolarHBondContact O-CB 3.18Å; R229-A271 PolarHBondContact O-N 2.97Å; R229-L276 HydrophobicContact CG-CD2 3.97Å |
| 230 | C | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.2 | -44.5 | 172.1 | -74.7 | 0 | 0 | 0 | 0 | 112 | F177 H226 Q227 I228 V232 A233 V234 Y268 | F177-C230 VanDerWaalsContact C-CB 3.46Å; F177-C230 WeakPolarHBondContact O-CB 3.25Å; H226-C230 PolarHBondContact O-N 3.18Å; Q227-C230 PolarHBondContact O-N 3.42Å; I228-C230 VanDerWaalsContact C-N 3.33Å; I228-C230 PolarHBondContact O-N 3.36Å; C230-V232 PolarHBondContact O-N 2.91Å; C230-A233 PolarHBondContact O-N 3.19Å; C230-V234 PolarHBondContact O-N 2.92Å; C230-Y268 HydrophobicContact CB-CE2 4.07Å |
| 231 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57 | -49.9 | 175.2 | -72.2 | 169.2 | 0 | 0 | 0 | 110.5 | L168 F177 F216 Q227 I228 A233 V234 L235 | L168-I231 HydrophobicContact CD1-CD1 4.31Å; L168-I231 HydrophobicContact CD1-CG2 3.55Å; L168-I231 HydrophobicContact CD2-CD1 4.17Å; L168-I231 HydrophobicContact CD2-CG1 4.26Å; L168-I231 HydrophobicContact CD2-CG2 4.43Å; F177-I231 HydrophobicContact CB-CG1 4.03Å; F177-I231 HydrophobicContact CD1-CG1 3.81Å; F177-I231 HydrophobicContact CG-CG1 4.16Å; F216-I231 HydrophobicContact CE1-CG2 3.74Å; F216-I231 HydrophobicContact CZ-CG2 3.65Å; Q227-I231 HydrophobicContact CG-CD1 3.86Å; Q227-I231 HydrophobicContact CG-CG1 4.47Å; Q227-I231 WeakPolarHBondContact O-CG1 3.34Å; Q227-I231 PolarHBondContact O-N 2.7Å; I228-I231 PolarHBondContact O-N 2.69Å; I231-A233 VanDerWaalsContact C-N 3.29Å; I231-A233 PolarHBondContact O-N 2.9Å; I231-V234 PolarHBondContact O-N 3.49Å; I231-V234 VanDerWaalsContact O-N 3.08Å; I231-L235 HydrophobicContact CG2-CD1 3.87Å; I231-L235 HydrophobicContact CG2-CG 4.17Å; I231-L235 WeakPolarHBondContact O-CG 3.25Å; I231-L235 PolarHBondContact O-N 3.44Å |
| 232 | V | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | -179.3 | 170 | 0 | 0 | 0 | 0 | 111.6 | Y149 F216 I228 C230 V234 L235 F236 A271 | Y149-V232 HydrophobicContact CD1-CG1 3.82Å; Y149-V232 HydrophobicContact CD1-CG2 4.21Å; Y149-V232 HydrophobicContact CD2-CG1 4.4Å; Y149-V232 HydrophobicContact CD2-CG2 4.02Å; Y149-V232 HydrophobicContact CE1-CG1 3.71Å; Y149-V232 HydrophobicContact CE2-CG1 4.31Å; Y149-V232 HydrophobicContact CG-CG1 4.17Å; Y149-V232 HydrophobicContact CG-CG2 3.8Å; F216-V232 HydrophobicContact CD1-CG2 3.49Å; F216-V232 VanDerWaalsContact CD1-CG2 3.49Å; F216-V232 HydrophobicContact CE1-CG2 4.07Å; F216-V232 HydrophobicContact CG-CG2 4.36Å; I228-V232 HydrophobicContact CG2-CG2 4.38Å; I228-V232 VanDerWaalsContact O-CG2 3.32Å; I228-V232 WeakPolarHBondContact O-CG2 3.44Å; I228-V232 PolarHBondContact O-N 3.44Å; C230-V232 PolarHBondContact O-N 2.91Å; V232-V234 VanDerWaalsContact C-N 3.33Å; V232-V234 PolarHBondContact O-N 2.98Å; V232-L235 PolarHBondContact O-N 3.11Å; V232-F236 HydrophobicContact CG1-CD2 3.84Å; V232-F236 HydrophobicContact CG1-CE1 4.28Å; V232-F236 HydrophobicContact CG1-CE2 3.38Å; V232-F236 HydrophobicContact CG1-CG 4.47Å; V232-F236 HydrophobicContact CG1-CZ 3.63Å; V232-F236 WeakPolarHBondContact O-CD2 3.47Å; V232-F236 WeakPolarHBondContact O-CG 3.34Å; V232-F236 PolarHBondContact O-N 3.45Å; V232-A271 HydrophobicContact CB-CB 4.05Å; V232-A271 HydrophobicContact CG1-CB 3.72Å |
| 233 | A | 97.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R229 C230 I231 F236 A237 Y268 C269 V356 | R229-A233 PolarHBondContact O-N 3.36Å; C230-A233 PolarHBondContact O-N 3.19Å; I231-A233 VanDerWaalsContact C-N 3.29Å; I231-A233 PolarHBondContact O-N 2.9Å; A233-F236 PolarHBondContact O-N 2.97Å; A233-A237 PolarHBondContact O-N 2.89Å; A233-Y268 HydrophobicContact CB-CD2 4.24Å; A233-Y268 HydrophobicContact CB-CE2 4.4Å; A233-C269 WeakPolarHBondContact CB-O 3.16Å; A233-V356 HydrophobicContact CB-CG2 4.38Å |
| 234 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.3 | -40.3 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 111 | F177 C230 I231 V232 F236 A237 V238 I252 I253 L256 Y268 L367 | F177-V234 HydrophobicContact CD1-CG2 4.28Å; F177-V234 HydrophobicContact CE1-CB 4.22Å; F177-V234 HydrophobicContact CE1-CG1 4.3Å; F177-V234 HydrophobicContact CE1-CG2 3.96Å; C230-V234 PolarHBondContact O-N 2.92Å; I231-V234 PolarHBondContact O-N 3.49Å; I231-V234 VanDerWaalsContact O-N 3.08Å; V232-V234 VanDerWaalsContact C-N 3.33Å; V232-V234 PolarHBondContact O-N 2.98Å; V234-F236 VanDerWaalsContact C-N 3.29Å; V234-F236 PolarHBondContact O-N 3.4Å; V234-A237 WeakPolarHBondContact O-CB 3.21Å; V234-A237 PolarHBondContact O-N 3.3Å; V234-V238 PolarHBondContact O-N 3.29Å; V234-V238 VanDerWaalsContact O-N 3.11Å; V234-I252 HydrophobicContact CG1-CG1 4.18Å; V234-I252 HydrophobicContact CG1-CG2 3.89Å; V234-I253 HydrophobicContact CB-CD1 4.3Å; V234-I253 HydrophobicContact CG1-CD1 3.62Å; V234-L256 HydrophobicContact CG1-CD1 4.31Å; V234-L256 HydrophobicContact CG2-CD1 4.11Å; V234-Y268 HydrophobicContact CG2-CE1 4.47Å; V234-Y268 HydrophobicContact CG2-CE2 4.06Å; V234-L367 HydrophobicContact CB-CD1 4.35Å; V234-L367 HydrophobicContact CG1-CD1 3.91Å; V234-L367 HydrophobicContact CG2-CD1 4Å |
| 235 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 174.3 | -66.7 | 177.6 | 0 | 0 | 0 | 111.5 | M161 A164 V199 F216 I231 V232 A237 V238 G239 I253 | M161-L235 HydrophobicContact CE-CB 3.93Å; M161-L235 WeakPolarHBondContact CG-O 3.22Å; A164-L235 HydrophobicContact CB-CD2 3.91Å; V199-L235 HydrophobicContact CG2-CD1 4.19Å; F216-L235 HydrophobicContact CD1-CD1 4.31Å; F216-L235 HydrophobicContact CD2-CD1 3.78Å; F216-L235 HydrophobicContact CE1-CD1 4.36Å; F216-L235 HydrophobicContact CE2-CD1 3.86Å; F216-L235 HydrophobicContact CG-CD1 4Å; F216-L235 HydrophobicContact CZ-CD1 4.14Å; I231-L235 HydrophobicContact CG2-CD1 3.87Å; I231-L235 HydrophobicContact CG2-CG 4.17Å; I231-L235 WeakPolarHBondContact O-CG 3.25Å; I231-L235 PolarHBondContact O-N 3.44Å; V232-L235 PolarHBondContact O-N 3.11Å; L235-A237 VanDerWaalsContact C-N 3.35Å; L235-A237 PolarHBondContact O-N 3.4Å; L235-V238 WeakPolarHBondContact O-CB 3.49Å; L235-V238 PolarHBondContact O-N 3.17Å; L235-G239 PolarHBondContact O-N 2.98Å; L235-I253 HydrophobicContact CD2-CD1 4.49Å |
| 236 | F | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.1 | -74.3 | -33 | 0 | 0 | 0 | 112.5 | Y149 F151 L156 M161 V232 A233 V234 V238 G239 Q240 A271 V352 L355 V356 | Y149-F236 HydrophobicContact CE1-CE2 4.33Å; Y149-F236 AromaticContact CE1-CZ 3.99Å; Y149-F236 HydrophobicContact CE1-CZ 3.99Å; F151-F236 HydrophobicContact CB-CE1 4.21Å; F151-F236 HydrophobicContact CB-CZ 4.02Å; F151-F236 HydrophobicContact CD1-CE1 4.19Å; F151-F236 HydrophobicContact CD1-CZ 4.37Å; F151-F236 AromaticContact CD2-CE1 3.77Å; F151-F236 HydrophobicContact CD2-CE1 3.77Å; F151-F236 HydrophobicContact CD2-CZ 4.42Å; F151-F236 HydrophobicContact CE2-CE1 4.12Å; F151-F236 AromaticContact CG-CE1 3.8Å; F151-F236 HydrophobicContact CG-CE1 3.8Å; F151-F236 HydrophobicContact CG-CZ 4.03Å; F151-F236 HydrophobicContact CZ-CE1 4.47Å; L156-F236 HydrophobicContact CD1-CD1 3.76Å; L156-F236 HydrophobicContact CD1-CE1 3.84Å; L156-F236 HydrophobicContact CD2-CD1 4.45Å; M161-F236 HydrophobicContact CE-CD1 3.75Å; M161-F236 HydrophobicContact CE-CE1 4.09Å; V232-F236 HydrophobicContact CG1-CD2 3.84Å; V232-F236 HydrophobicContact CG1-CE1 4.28Å; V232-F236 HydrophobicContact CG1-CE2 3.38Å; V232-F236 HydrophobicContact CG1-CG 4.47Å; V232-F236 HydrophobicContact CG1-CZ 3.63Å; V232-F236 WeakPolarHBondContact O-CD2 3.47Å; V232-F236 WeakPolarHBondContact O-CG 3.34Å; V232-F236 PolarHBondContact O-N 3.45Å; A233-F236 PolarHBondContact O-N 2.97Å; V234-F236 VanDerWaalsContact C-N 3.29Å; V234-F236 PolarHBondContact O-N 3.4Å; F236-V238 VanDerWaalsContact C-N 3.28Å; F236-V238 PolarHBondContact O-N 2.75Å; F236-G239 PolarHBondContact O-N 3.13Å; F236-G239 VanDerWaalsContact O-N 3.15Å; F236-Q240 WeakPolarHBondContact O-CG 3.42Å; F236-Q240 PolarHBondContact O-N 3.12Å; F236-A271 HydrophobicContact CE2-CB 4.27Å; F236-V352 HydrophobicContact CB-CG1 4.01Å; F236-V352 HydrophobicContact CB-CG2 3.84Å; F236-V352 HydrophobicContact CD1-CG2 4.24Å; F236-V352 HydrophobicContact CG-CG1 4.48Å; F236-V352 HydrophobicContact CG-CG2 3.98Å; F236-L355 HydrophobicContact CE2-CB 3.8Å; F236-L355 HydrophobicContact CE2-CD1 4.12Å; F236-L355 HydrophobicContact CZ-CB 4.29Å; F236-L355 HydrophobicContact CZ-CD1 3.74Å; F236-V356 HydrophobicContact CD2-CG2 3.62Å; F236-V356 HydrophobicContact CE2-CG2 4.24Å |
| 237 | A | 95.5 | Very high | 95 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 7% | 0.066 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A233 V234 L235 Q240 S241 N242 E243 Y364 L367 | A233-A237 PolarHBondContact O-N 2.89Å; V234-A237 WeakPolarHBondContact O-CB 3.21Å; V234-A237 PolarHBondContact O-N 3.3Å; L235-A237 VanDerWaalsContact C-N 3.35Å; L235-A237 PolarHBondContact O-N 3.4Å; A237-Q240 PolarHBondContact O-N 3.34Å; A237-S241 PolarHBondContact O-N 3.43Å; A237-N242 HydrophobicContact CB-CB 4.49Å; A237-N242 WeakPolarHBondContact O-CA 3.13Å; A237-N242 VanDerWaalsContact O-CB 3.31Å; A237-N242 WeakPolarHBondContact O-CB 3.41Å; A237-N242 PolarHBondContact O-N 2.9Å; A237-E243 HydrophobicContact CB-CB 4.5Å; A237-E243 HydrophobicContact CB-CG 3.8Å; A237-E243 PolarHBondContact O-N 3.03Å; A237-Y364 HydrophobicContact CB-CE2 4.08Å; A237-Y364 WeakPolarHBondContact CB-OH 3.47Å; A237-L367 HydrophobicContact CB-CD1 4.48Å |
| 238 | V | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | A160 A164 V234 L235 F236 Q240 S241 E243 P245 I252 | A160-V238 HydrophobicContact CB-CG1 3.95Å; A164-V238 HydrophobicContact CB-CB 4.41Å; A164-V238 HydrophobicContact CB-CG1 3.96Å; A164-V238 HydrophobicContact CB-CG2 4.06Å; V234-V238 PolarHBondContact O-N 3.29Å; V234-V238 VanDerWaalsContact O-N 3.11Å; L235-V238 WeakPolarHBondContact O-CB 3.49Å; L235-V238 PolarHBondContact O-N 3.17Å; F236-V238 VanDerWaalsContact C-N 3.28Å; F236-V238 PolarHBondContact O-N 2.75Å; V238-Q240 PolarHBondContact O-N 3.11Å; V238-S241 WeakPolarHBondContact O-CA 3.46Å; V238-S241 PolarHBondContact O-N 3.27Å; V238-E243 HydrophobicContact CG2-CB 3.88Å; V238-P245 HydrophobicContact CG1-CB 3.78Å; V238-I252 HydrophobicContact CG2-CG2 3.54Å |
| 239 | G | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -31.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L156 N157 M161 L235 F236 S241 | L156-G239 WeakPolarHBondContact CA-O 3.36Å; N157-G239 PolarHBondContact N-O 3.28Å; M161-G239 VanDerWaalsContact CG-CA 3.47Å; L235-G239 PolarHBondContact O-N 2.98Å; F236-G239 PolarHBondContact O-N 3.13Å; F236-G239 VanDerWaalsContact O-N 3.15Å; G239-S241 PolarHBondContact O-N 3.42Å |
| 240 | Q | 93.6 | Very high | 92.7 | Very high | 57 Ų | 57 | 42 Ų | 42 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 5 | 171.7 | -68.2 | 178.2 | -47 | 0 | 0 | 113.5 | L156 F236 A237 V238 N242 V352 | L156-Q240 HydrophobicContact CD2-CG 3.83Å; F236-Q240 WeakPolarHBondContact O-CG 3.42Å; F236-Q240 PolarHBondContact O-N 3.12Å; A237-Q240 PolarHBondContact O-N 3.34Å; V238-Q240 PolarHBondContact O-N 3.11Å; Q240-N242 WeakPolarHBondContact CB-ND2 3.31Å; Q240-N242 PolarHBondContact O-N 2.9Å; Q240-N242 VanDerWaalsContact O-N 3.14Å; Q240-N242 PolarHBondContact OE1-ND2 3.32Å; Q240-V352 HydrophobicContact CG-CG2 3.9Å; Q240-V352 VanDerWaalsContact NE2-CB 3.32Å |
| 241 | S | 93.8 | Very high | 92.5 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 17.3 | -173.8 | -50.7 | 0 | 0 | 0 | 0 | 114.6 | A237 V238 G239 E243 | A237-S241 PolarHBondContact O-N 3.43Å; V238-S241 WeakPolarHBondContact O-CA 3.46Å; V238-S241 PolarHBondContact O-N 3.27Å; G239-S241 PolarHBondContact O-N 3.42Å; S241-E243 VanDerWaalsContact C-N 3.31Å |
| 242 | N | 93.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -78.7 | -17.6 | 177.2 | -75.1 | -38.3 | 0 | 0 | 0 | 112.6 | A237 Q240 Y364 | A237-N242 HydrophobicContact CB-CB 4.49Å; A237-N242 WeakPolarHBondContact O-CA 3.13Å; A237-N242 VanDerWaalsContact O-CB 3.31Å; A237-N242 WeakPolarHBondContact O-CB 3.41Å; A237-N242 PolarHBondContact O-N 2.9Å; Q240-N242 WeakPolarHBondContact CB-ND2 3.31Å; Q240-N242 PolarHBondContact O-N 2.9Å; Q240-N242 VanDerWaalsContact O-N 3.14Å; Q240-N242 PolarHBondContact OE1-ND2 3.32Å; N242-Y364 HydrophobicContact CB-CD1 3.63Å; N242-Y364 HydrophobicContact CB-CD2 3.78Å; N242-Y364 HydrophobicContact CB-CE1 3.56Å; N242-Y364 HydrophobicContact CB-CE2 3.7Å; N242-Y364 HydrophobicContact CB-CG 3.74Å; N242-Y364 WeakPolarHBondContact ND2-CD2 3.04Å; N242-Y364 WeakPolarHBondContact O-CE1 3.32Å |
| 243 | E | 96.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -138.4 | 150.9 | -178.9 | -64.9 | -68.4 | 175.2 | 0 | 0 | 111.5 | A237 V238 S241 I252 Y364 P366 L367 | A237-E243 HydrophobicContact CB-CB 4.5Å; A237-E243 HydrophobicContact CB-CG 3.8Å; A237-E243 PolarHBondContact O-N 3.03Å; V238-E243 HydrophobicContact CG2-CB 3.88Å; S241-E243 VanDerWaalsContact C-N 3.31Å; E243-I252 HydrophobicContact CB-CB 3.94Å; E243-I252 HydrophobicContact CB-CG1 4.31Å; E243-I252 HydrophobicContact CB-CG2 3.71Å; E243-I252 HydrophobicContact CG-CB 4.34Å; E243-I252 HydrophobicContact CG-CG1 4.14Å; E243-I252 HydrophobicContact CG-CG2 4.34Å; E243-Y364 VanDerWaalsContact CD-OH 3.31Å; E243-Y364 HydrophobicContact CG-CE1 4.23Å; E243-Y364 WeakPolarHBondContact CG-OH 3.32Å; E243-Y364 VanDerWaalsContact OE1-CE1 3.31Å; E243-Y364 WeakPolarHBondContact OE1-CE1 3.34Å; E243-Y364 PolarHBondContact OE1-OH 3.02Å; E243-P366 WeakPolarHBondContact OE1-CA 3.27Å; E243-L367 HydrophobicContact CG-CD1 4.18Å; E243-L367 WeakPolarHBondContact OE1-CG 3.47Å; E243-L367 PolarHBondContact OE1-N 3.2Å |
| 244 | S | 94.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -75.4 | 131.7 | -177.3 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | P249 P251 I252 | S244-P249 VanDerWaalsContact CB-O 3.3Å; S244-P249 WeakPolarHBondContact CB-O 3.48Å; S244-P249 PolarHBondContact OG-O 3.44Å; S244-P251 WeakPolarHBondContact O-CA 3.49Å; S244-I252 PolarHBondContact O-N 2.94Å | ||
| 245 | P | 94.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 45 Ų | 45 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -81.8 | -27.1 | 177.1 | 31.5 | -35 | 0 | 0 | 0 | 114.3 | A160 I163 A164 H167 V238 | A160-P245 HydrophobicContact CB-CB 3.94Å; A160-P245 HydrophobicContact CB-CG 3.97Å; A160-P245 VanDerWaalsContact O-CB 3.27Å; A160-P245 WeakPolarHBondContact O-CB 3.25Å; I163-P245 HydrophobicContact CB-CB 4.4Å; I163-P245 HydrophobicContact CG2-CB 4.34Å; A164-P245 HydrophobicContact CB-CB 4.32Å; H167-P245 PolarHBondContact NE2-O 3.06Å; V238-P245 HydrophobicContact CG1-CB 3.78Å |
| 246 | S | 84.6 | Confident | 92.3 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -135 | -81.2 | -159.1 | 65.6 | 0 | 0 | 0 | 0 | 117.6 | P251 | S246-P251 WeakPolarHBondContact O-CB 3.2Å; S246-P251 WeakPolarHBondContact O-CD 3.34Å; S246-P251 WeakPolarHBondContact O-CG 3.29Å |
| 247 | V | 74.3 | Confident | 92.3 | Very high | 111 Ų | 111 | 45.8 Ų | 45.8 | 67% | 0.673 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -122.6 | -53.4 | -162.4 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | P249 | V247-P249 CarbonylContact C-O 3.38Å; V247-P249 CarbonylContact O-C 3.55Å |
| 248 | R | 74.1 | Confident | 92.3 | Very high | 230 Ų | 230 | 47.6 Ų | 47.6 | 87% | 0.868 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -134.7 | 125.8 | 177.8 | -73.6 | -171 | -175.7 | -123 | 1.9 | 111 | ||
| 249 | P | 80.9 | Confident | 92.1 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | S | Bend | cis | -59.8 | 168 | -11 | 26.7 | -32.2 | 0 | 0 | 0 | 112 | S244 V247 | S244-P249 VanDerWaalsContact CB-O 3.3Å; S244-P249 WeakPolarHBondContact CB-O 3.48Å; S244-P249 PolarHBondContact OG-O 3.44Å; V247-P249 CarbonylContact C-O 3.38Å; V247-P249 CarbonylContact O-C 3.55Å |
| 250 | K | 89.9 | Confident | 92 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | trans | -45.5 | 134 | -179.8 | -176.8 | 175.1 | 170.1 | -178.7 | 0 | 108.9 | I252 Q255 D258 | K250-I252 PolarHBondContact O-N 3.05Å; K250-Q255 HydrophobicContact CB-CG 3.91Å; K250-Q255 HydrophobicContact CD-CG 3.76Å; K250-Q255 HydrophobicContact CG-CG 3.67Å; K250-Q255 PolarHBondContact O-NE2 3.46Å; K250-D258 IonicContact NZ-OD2 2.74Å; K250-D258 PolarHBondContact NZ-OD2 3Å | ||
| 251 | P | 95.2 | Very high | 92 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.071 | 32% | 0.323 | C | S | . | . | trans | -61.8 | 135 | -175.3 | 21.6 | -30.2 | 0 | 0 | 0 | 110.1 | S244 S246 I253 C254 Q255 | S244-P251 WeakPolarHBondContact O-CA 3.49Å; S246-P251 WeakPolarHBondContact O-CB 3.2Å; S246-P251 WeakPolarHBondContact O-CD 3.34Å; S246-P251 WeakPolarHBondContact O-CG 3.29Å; P251-I253 PolarHBondContact O-N 2.78Å; P251-C254 HydrophobicContact CG-CB 3.84Å; P251-C254 PolarHBondContact O-N 2.07Å; P251-Q255 PolarHBondContact O-N 3.27Å | ||
| 252 | I | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -34.6 | -170.4 | -173.9 | 56 | 0 | 0 | 0 | 112.2 | V234 V238 E243 S244 K250 Q255 L256 L367 A368 | V234-I252 HydrophobicContact CG1-CG1 4.18Å; V234-I252 HydrophobicContact CG1-CG2 3.89Å; V238-I252 HydrophobicContact CG2-CG2 3.54Å; E243-I252 HydrophobicContact CB-CB 3.94Å; E243-I252 HydrophobicContact CB-CG1 4.31Å; E243-I252 HydrophobicContact CB-CG2 3.71Å; E243-I252 HydrophobicContact CG-CB 4.34Å; E243-I252 HydrophobicContact CG-CG1 4.14Å; E243-I252 HydrophobicContact CG-CG2 4.34Å; S244-I252 PolarHBondContact O-N 2.94Å; K250-I252 PolarHBondContact O-N 3.05Å; I252-Q255 HydrophobicContact CD1-CB 4.36Å; I252-Q255 WeakPolarHBondContact O-CB 3.45Å; I252-Q255 PolarHBondContact O-N 3.4Å; I252-L256 HydrophobicContact CD1-CD1 4.35Å; I252-L256 HydrophobicContact CD1-CD2 4.49Å; I252-L256 HydrophobicContact CD1-CG 4.09Å; I252-L256 HydrophobicContact CG1-CD1 4.24Å; I252-L256 HydrophobicContact CG1-CG 4.36Å; I252-L256 WeakPolarHBondContact O-CG 3.27Å; I252-L256 PolarHBondContact O-N 2.88Å; I252-L367 HydrophobicContact CD1-CB 3.96Å; I252-L367 HydrophobicContact CG1-CB 4.4Å; I252-L367 HydrophobicContact CG1-CD1 4.03Å; I252-A368 HydrophobicContact CD1-CB 4.49Å |
| 253 | I | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 176.9 | -60.9 | -61.4 | 0 | 0 | 0 | 110.2 | A164 H167 L168 F177 V234 L235 P251 Q255 L256 L257 | A164-I253 HydrophobicContact CB-CG1 4.14Å; A164-I253 WeakPolarHBondContact O-CG1 3.33Å; H167-I253 HydrophobicContact CB-CB 4.02Å; H167-I253 HydrophobicContact CB-CG2 3.7Å; L168-I253 HydrophobicContact CD2-CD1 4.41Å; L168-I253 HydrophobicContact CD2-CG2 3.64Å; L168-I253 HydrophobicContact CG-CG2 4.03Å; F177-I253 HydrophobicContact CE1-CD1 3.7Å; F177-I253 HydrophobicContact CZ-CD1 3.84Å; F177-I253 HydrophobicContact CZ-CG2 4.29Å; V234-I253 HydrophobicContact CB-CD1 4.3Å; V234-I253 HydrophobicContact CG1-CD1 3.62Å; L235-I253 HydrophobicContact CD2-CD1 4.49Å; P251-I253 PolarHBondContact O-N 2.78Å; I253-Q255 VanDerWaalsContact C-N 3.3Å; I253-Q255 PolarHBondContact O-N 3.34Å; I253-L256 PolarHBondContact O-N 3.23Å; I253-L257 HydrophobicContact CG2-CD1 3.77Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 VanDerWaalsContact O-CG 3.24Å; I253-L257 WeakPolarHBondContact O-CG 3.35Å; I253-L257 PolarHBondContact O-N 3.2Å |
| 254 | C | 96.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | H167 P251 D258 | H167-C254 VanDerWaalsContact CG-SG 3.56Å; H167-C254 PolarHBondContact ND1-SG 2.82Å; H167-C254 VanDerWaalsContact ND1-SG 3.44Å; P251-C254 HydrophobicContact CG-CB 3.84Å; P251-C254 PolarHBondContact O-N 2.07Å; C254-D258 WeakPolarHBondContact O-CB 3.31Å; C254-D258 PolarHBondContact O-N 3.43Å |
| 255 | Q | 96.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 173.5 | -67.8 | -173.8 | 59.5 | 0 | 0 | 110.9 | K250 P251 I252 I253 L257 D258 H262 | K250-Q255 HydrophobicContact CB-CG 3.91Å; K250-Q255 HydrophobicContact CD-CG 3.76Å; K250-Q255 HydrophobicContact CG-CG 3.67Å; K250-Q255 PolarHBondContact O-NE2 3.46Å; P251-Q255 PolarHBondContact O-N 3.27Å; I252-Q255 HydrophobicContact CD1-CB 4.36Å; I252-Q255 WeakPolarHBondContact O-CB 3.45Å; I252-Q255 PolarHBondContact O-N 3.4Å; I253-Q255 VanDerWaalsContact C-N 3.3Å; I253-Q255 PolarHBondContact O-N 3.34Å; Q255-L257 VanDerWaalsContact C-N 3.35Å; Q255-L257 PolarHBondContact O-N 3.01Å; Q255-D258 WeakPolarHBondContact O-CB 3.45Å; Q255-D258 PolarHBondContact O-N 3.27Å; Q255-H262 PolarHBondContact O-ND1 2.54Å |
| 256 | L | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.3 | -20.4 | -177.1 | -63.5 | -176.6 | 0 | 0 | 0 | 113.7 | N176 F177 V234 I252 I253 D258 P266 | N176-L256 HydrophobicContact CB-CB 4.12Å; N176-L256 WeakPolarHBondContact CB-O 3.37Å; N176-L256 PolarHBondContact ND2-O 3.25Å; F177-L256 HydrophobicContact CE1-CB 4.37Å; F177-L256 HydrophobicContact CE1-CD1 4.09Å; F177-L256 HydrophobicContact CE2-CB 3.53Å; F177-L256 HydrophobicContact CZ-CB 3.46Å; F177-L256 VanDerWaalsContact CZ-CB 3.46Å; F177-L256 HydrophobicContact CZ-CD1 3.97Å; F177-L256 HydrophobicContact CZ-CG 4.33Å; V234-L256 HydrophobicContact CG1-CD1 4.31Å; V234-L256 HydrophobicContact CG2-CD1 4.11Å; I252-L256 HydrophobicContact CD1-CD1 4.35Å; I252-L256 HydrophobicContact CD1-CD2 4.49Å; I252-L256 HydrophobicContact CD1-CG 4.09Å; I252-L256 HydrophobicContact CG1-CD1 4.24Å; I252-L256 HydrophobicContact CG1-CG 4.36Å; I252-L256 WeakPolarHBondContact O-CG 3.27Å; I252-L256 PolarHBondContact O-N 2.88Å; I253-L256 PolarHBondContact O-N 3.23Å; L256-D258 VanDerWaalsContact C-N 3.33Å; L256-P266 HydrophobicContact CD2-CG 3.74Å |
| 257 | L | 97 | Very high | 91.8 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -78.6 | -19.2 | 170 | -65.3 | 173.3 | 0 | 0 | 0 | 112.4 | H167 H172 F174 F177 I253 Q255 V259 | H167-L257 WeakPolarHBondContact O-CD1 3.35Å; H172-L257 HydrophobicContact CB-CD1 4.34Å; H172-L257 HydrophobicContact CB-CD2 3.74Å; H172-L257 HydrophobicContact CB-CG 4.41Å; F174-L257 HydrophobicContact CD1-CD2 3.74Å; F174-L257 HydrophobicContact CE1-CD2 3.63Å; F174-L257 HydrophobicContact CG-CD2 4.43Å; F174-L257 HydrophobicContact CZ-CD2 4.25Å; F177-L257 HydrophobicContact CD2-CD2 3.83Å; F177-L257 HydrophobicContact CE2-CD2 3.49Å; F177-L257 VanDerWaalsContact CE2-CD2 3.49Å; F177-L257 HydrophobicContact CE2-CG 3.8Å; F177-L257 HydrophobicContact CZ-CD2 4.49Å; I253-L257 HydrophobicContact CG2-CD1 3.77Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 VanDerWaalsContact O-CG 3.24Å; I253-L257 WeakPolarHBondContact O-CG 3.35Å; I253-L257 PolarHBondContact O-N 3.2Å; Q255-L257 VanDerWaalsContact C-N 3.35Å; Q255-L257 PolarHBondContact O-N 3.01Å; L257-V259 PolarHBondContact O-N 2.91Å; L257-V259 VanDerWaalsContact O-N 3.09Å |
| 258 | D | 95.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | trans | -80.7 | 86.8 | 177.3 | -168.2 | -17 | 0 | 0 | 0 | 110.8 | K250 C254 Q255 L256 K260 E261 H262 | K250-D258 IonicContact NZ-OD2 2.74Å; K250-D258 PolarHBondContact NZ-OD2 3Å; C254-D258 WeakPolarHBondContact O-CB 3.31Å; C254-D258 PolarHBondContact O-N 3.43Å; Q255-D258 WeakPolarHBondContact O-CB 3.45Å; Q255-D258 PolarHBondContact O-N 3.27Å; L256-D258 VanDerWaalsContact C-N 3.33Å; D258-K260 PolarHBondContact O-N 3.06Å; D258-K260 PolarHBondContact OD1-N 3.05Å; D258-E261 HydrophobicContact CB-CB 4.38Å; D258-E261 PolarHBondContact O-N 3.13Å; D258-E261 PolarHBondContact OD1-N 2.94Å; D258-E261 WeakPolarHBondContact OD2-CG 3.33Å; D258-H262 PolarHBondContact O-N 3.09Å | ||
| 259 | V | 93.4 | Very high | 93.5 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.6 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | D173 R175 L257 P263 | D173-V259 HydrophobicContact CB-CG1 3.78Å; R175-V259 HydrophobicContact CG-CG1 3.95Å; L257-V259 PolarHBondContact O-N 2.91Å; L257-V259 VanDerWaalsContact O-N 3.09Å; V259-P263 VanDerWaalsContact O-CA 3.23Å; V259-P263 WeakPolarHBondContact O-CA 3.34Å |
| 260 | K | 94.2 | Very high | 94.2 | Very high | 187 Ų | 187 | 45.6 Ų | 45.6 | 81% | 0.813 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -46 | 172.4 | -66.6 | -177.8 | 179 | -179.6 | 0 | 110 | D258 | D258-K260 PolarHBondContact O-N 3.06Å; D258-K260 PolarHBondContact OD1-N 3.05Å |
| 261 | E | 93.6 | Very high | 94.5 | Very high | 135 Ų | 135 | 41.3 Ų | 41.3 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -40.1 | 176.8 | -64.9 | -62.1 | 134 | 0 | 0 | 112.1 | D258 P263 | D258-E261 HydrophobicContact CB-CB 4.38Å; D258-E261 PolarHBondContact O-N 3.13Å; D258-E261 PolarHBondContact OD1-N 2.94Å; D258-E261 WeakPolarHBondContact OD2-CG 3.33Å; E261-P263 WeakPolarHBondContact O-CD 3.14Å |
| 262 | H | 92.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | trans | -122.5 | 78.9 | -178.4 | -58.2 | 96.2 | 0 | 0 | 0 | 110.4 | N176 Q255 D258 A264 A368 | N176-H262 PolarHBondContact ND2-O 3.44Å; Q255-H262 PolarHBondContact O-ND1 2.54Å; D258-H262 PolarHBondContact O-N 3.09Å; H262-A264 PolarHBondContact O-N 3.23Å; H262-A368 WeakPolarHBondContact NE2-CB 3.44Å | ||
| 263 | P | 91.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 53% | 0.532 | 22% | 0.22 | S | C | . | . | trans | -70 | -16.3 | -173.1 | 26.7 | -35.7 | 0 | 0 | 0 | 114.6 | R175 V259 E261 | R175-P263 VanDerWaalsContact CD-O 3.28Å; R175-P263 WeakPolarHBondContact CD-O 3.5Å; R175-P263 PolarHBondContact NH1-O 2.93Å; V259-P263 VanDerWaalsContact O-CA 3.23Å; V259-P263 WeakPolarHBondContact O-CA 3.34Å; E261-P263 WeakPolarHBondContact O-CD 3.14Å | ||
| 264 | A | 91.3 | Very high | 94.5 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -142.2 | 151.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N176 H262 T372 | N176-A264 PolarHBondContact OD1-O 3.06Å; H262-A264 PolarHBondContact O-N 3.23Å; A264-T372 HydrophobicContact CB-CG2 3.94Å; A264-T372 WeakPolarHBondContact O-CG2 3.4Å |
| 265 | K | 93.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | trans | -61.8 | 125 | -174.6 | 179.5 | 171.8 | 170.7 | -63.6 | 0 | 110.9 | N176 C178 Y268 T372 E373 | N176-K265 VanDerWaalsContact OD1-CA 3.24Å; N176-K265 WeakPolarHBondContact OD1-CA 3.49Å; N176-K265 PolarHBondContact OD1-N 3.34Å; C178-K265 WeakPolarHBondContact O-CD 3.43Å; K265-Y268 HydrophobicContact CD-CE1 4.36Å; K265-Y268 VanDerWaalsContact CE-CZ 3.5Å; K265-Y268 HydrophobicContact CG-CE1 3.92Å; K265-Y268 PolarHBondContact NZ-O 2.83Å; K265-T372 VanDerWaalsContact O-CA 3.29Å; K265-T372 WeakPolarHBondContact O-CA 3.26Å; K265-T372 WeakPolarHBondContact O-CB 3.33Å; K265-E373 IonicContact NZ-OE1 3.7Å; K265-E373 PolarHBondContact NZ-OE1 3.36Å; K265-E373 PolarHBondContact O-N 2.88Å | ||
| 266 | P | 94 | Very high | 94.7 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 155.9 | 171.4 | 25.6 | -30.6 | 0 | 0 | 0 | 111.2 | L256 Y268 L367 R370 | L256-P266 HydrophobicContact CD2-CG 3.74Å; P266-Y268 HydrophobicContact CG-CD1 4Å; P266-Y268 HydrophobicContact CG-CE1 4.02Å; P266-Y268 WeakPolarHBondContact O-CD1 3.33Å; P266-Y268 PolarHBondContact O-N 3.37Å; P266-Y268 VanDerWaalsContact O-N 3.16Å; P266-L367 WeakPolarHBondContact CB-O 3.46Å; P266-R370 HydrophobicContact CB-CB 4.11Å |
| 267 | N | 92 | Very high | 94.8 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -71.5 | 111 | 178.8 | -170 | 14.1 | 0 | 0 | 0 | 111.4 | R370 P371 | N267-R370 WeakPolarHBondContact O-CD 3.26Å; N267-R370 PolarHBondContact O-NH1 3.21Å; N267-P371 VanDerWaalsContact CB-O 3.32Å; N267-P371 WeakPolarHBondContact CB-O 3.17Å; N267-P371 PolarHBondContact N-O 2.89Å |
| 268 | Y | 92.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | trans | -155.6 | 148.6 | 170.9 | 65.8 | -93 | 0 | 0 | 0 | 109.8 | N176 C230 A233 V234 K265 P266 L367 | N176-Y268 PolarHBondContact O-OH 3.38Å; C230-Y268 HydrophobicContact CB-CE2 4.07Å; A233-Y268 HydrophobicContact CB-CD2 4.24Å; A233-Y268 HydrophobicContact CB-CE2 4.4Å; V234-Y268 HydrophobicContact CG2-CE1 4.47Å; V234-Y268 HydrophobicContact CG2-CE2 4.06Å; K265-Y268 HydrophobicContact CD-CE1 4.36Å; K265-Y268 VanDerWaalsContact CE-CZ 3.5Å; K265-Y268 HydrophobicContact CG-CE1 3.92Å; K265-Y268 PolarHBondContact NZ-O 2.83Å; P266-Y268 HydrophobicContact CG-CD1 4Å; P266-Y268 HydrophobicContact CG-CE1 4.02Å; P266-Y268 WeakPolarHBondContact O-CD1 3.33Å; P266-Y268 PolarHBondContact O-N 3.37Å; P266-Y268 VanDerWaalsContact O-N 3.16Å; Y268-L367 HydrophobicContact CD1-CD2 3.76Å; Y268-L367 HydrophobicContact CG-CD2 3.84Å | ||
| 269 | C | 92.7 | Very high | 95 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 34% | 0.338 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -78.6 | 142.3 | 176.7 | -72.6 | 0 | 0 | 0 | 0 | 111.3 | A233 V356 P357 S358 | A233-C269 WeakPolarHBondContact CB-O 3.16Å; C269-V356 HydrophobicContact CB-CG1 3.92Å; C269-P357 WeakPolarHBondContact CB-O 3.46Å; C269-P357 PolarHBondContact SG-O 3.3Å; C269-S358 PolarHBondContact SG-OG 3.45Å |
| 270 | M | 94.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -79.9 | 153.3 | 173.9 | 64.7 | -173.8 | 177 | 0 | 0 | 110.5 | H226 R229 | H226-M270 HydrophobicContact CB-SD 3.67Å; R229-M270 HydrophobicContact CB-CB 4Å; R229-M270 HydrophobicContact CB-CG 4.41Å |
| 271 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 161.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y149 R229 V232 F236 L355 V356 | Y149-A271 HydrophobicContact CE2-CB 4.26Å; R229-A271 PolarHBondContact NE-O 3.38Å; R229-A271 PolarHBondContact NH2-O 2.95Å; R229-A271 WeakPolarHBondContact O-CB 3.18Å; R229-A271 PolarHBondContact O-N 2.97Å; V232-A271 HydrophobicContact CB-CB 4.05Å; V232-A271 HydrophobicContact CG1-CB 3.72Å; F236-A271 HydrophobicContact CE2-CB 4.27Å; A271-L355 CarbonylContact C-O 3.57Å; A271-L355 VanDerWaalsContact C-O 3.31Å; A271-L355 WeakPolarHBondContact CA-O 3.12Å; A271-V356 HydrophobicContact CB-CG2 4.36Å |
| 272 | T | 96.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 163.6 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | Y149 E274 L355 P357 | Y149-T272 VanDerWaalsContact CE2-O 3.3Å; Y149-T272 WeakPolarHBondContact CE2-O 3.44Å; Y149-T272 PolarHBondContact OH-O 3.44Å; Y149-T272 PolarHBondContact OH-OG1 3.08Å; T272-E274 VanDerWaalsContact CB-OE2 3.31Å; T272-E274 WeakPolarHBondContact CB-OE2 3.03Å; T272-L355 PolarHBondContact N-O 2.84Å; T272-L355 WeakPolarHBondContact OG1-CD2 3.38Å; T272-P357 HydrophobicContact CG2-CG 3.94Å |
| 273 | G | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -94.3 | -24.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P275 L276 | G273-P275 VanDerWaalsContact C-CD 3.48Å; G273-L276 WeakPolarHBondContact O-CB 3.15Å; G273-L276 PolarHBondContact O-N 2.93Å |
| 274 | E | 96.8 | Very high | 95.9 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -42 | -173.4 | -65.3 | 78.7 | 154.3 | 0 | 0 | 112.9 | W24 F70 T272 L276 | W24-E274 PolarHBondContact NE1-O 3.02Å; F70-E274 HydrophobicContact CB-CG 3.8Å; F70-E274 HydrophobicContact CD2-CG 4.28Å; F70-E274 WeakPolarHBondContact CD2-OE1 3.48Å; F70-E274 WeakPolarHBondContact CD2-OE2 3.47Å; F70-E274 WeakPolarHBondContact CE2-OE1 3.29Å; F70-E274 HydrophobicContact CG-CG 4.2Å; T272-E274 VanDerWaalsContact CB-OE2 3.31Å; T272-E274 WeakPolarHBondContact CB-OE2 3.03Å; E274-L276 VanDerWaalsContact C-N 3.3Å; E274-L276 PolarHBondContact O-N 3.42Å |
| 275 | P | 98.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 40 Ų | 40 | 17% | 0.169 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.8 | -178.2 | -8.8 | 28.9 | 0 | 0 | 0 | 114.2 | Y149 F150 G273 L355 | Y149-P275 WeakPolarHBondContact CA-O 3.36Å; Y149-P275 HydrophobicContact CD1-CB 4.21Å; Y149-P275 HydrophobicContact CE1-CB 3.85Å; Y149-P275 HydrophobicContact CE1-CG 3.97Å; Y149-P275 HydrophobicContact CE2-CB 4.19Å; Y149-P275 HydrophobicContact CE2-CG 4.22Å; Y149-P275 WeakPolarHBondContact OH-CG 3.42Å; F150-P275 PolarHBondContact N-O 3.48Å; F150-P275 WeakPolarHBondContact O-CB 3.44Å; G273-P275 VanDerWaalsContact C-CD 3.48Å; P275-L355 HydrophobicContact CG-CD2 3.82Å |
| 276 | L | 98.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133 | -178.7 | -176.3 | 59.1 | 0 | 0 | 0 | 110.9 | V71 S72 Y147 K148 Y149 I228 R229 G273 E274 | V71-L276 HydrophobicContact CG1-CB 4.14Å; V71-L276 HydrophobicContact CG1-CD2 4.06Å; V71-L276 HydrophobicContact CG1-CG 3.86Å; V71-L276 WeakPolarHBondContact CG1-O 3.4Å; V71-L276 HydrophobicContact CG2-CB 4.15Å; V71-L276 HydrophobicContact CG2-CD2 3.9Å; V71-L276 HydrophobicContact CG2-CG 4.31Å; S72-L276 PolarHBondContact N-O 3.3Å; Y147-L276 HydrophobicContact CD1-CD1 3.59Å; Y147-L276 HydrophobicContact CD1-CD2 4.31Å; Y147-L276 HydrophobicContact CD1-CG 3.91Å; Y147-L276 HydrophobicContact CE1-CG 4.42Å; Y147-L276 HydrophobicContact CG-CD1 4.11Å; K148-L276 WeakPolarHBondContact O-CA 3.41Å; K148-L276 WeakPolarHBondContact O-CD1 3.3Å; Y149-L276 HydrophobicContact CD2-CB 3.8Å; Y149-L276 HydrophobicContact CD2-CD1 4.14Å; Y149-L276 HydrophobicContact CD2-CG 4.47Å; Y149-L276 HydrophobicContact CE2-CB 4.23Å; I228-L276 HydrophobicContact CB-CD1 4.27Å; I228-L276 HydrophobicContact CB-CD2 4.16Å; I228-L276 HydrophobicContact CG2-CD1 3.6Å; I228-L276 HydrophobicContact CG2-CD2 4.29Å; R229-L276 HydrophobicContact CG-CD2 3.97Å; G273-L276 WeakPolarHBondContact O-CB 3.15Å; G273-L276 PolarHBondContact O-N 2.93Å; E274-L276 VanDerWaalsContact C-N 3.3Å; E274-L276 PolarHBondContact O-N 3.42Å |
| 277 | I | 98.6 | Very high | 96 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.2 | 173.8 | -178.8 | 167.8 | 0 | 0 | 0 | 111.6 | S72 L74 Y147 K148 F150 C279 | S72-I277 WeakPolarHBondContact O-CA 3.48Å; L74-I277 HydrophobicContact CB-CD1 4.49Å; Y147-I277 VanDerWaalsContact CA-O 3.31Å; Y147-I277 WeakPolarHBondContact CA-O 3.41Å; Y147-I277 WeakPolarHBondContact CD1-O 3.45Å; K148-I277 HydrophobicContact CB-CG2 3.93Å; K148-I277 PolarHBondContact N-O 3.21Å; K148-I277 WeakPolarHBondContact O-CG2 3.4Å; K148-I277 PolarHBondContact O-N 3.29Å; F150-I277 HydrophobicContact CD2-CG2 4.42Å; F150-I277 HydrophobicContact CE2-CG2 3.77Å; I277-C279 PolarHBondContact O-N 3.11Å |
| 278 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 98.6 | 163 | 175.1 | 59.9 | 0 | 0 | 0 | 109 | T67 S72 A73 L74 Q76 R145 Y147 N280 T281 | T67-L278 HydrophobicContact CG2-CB 4.37Å; T67-L278 HydrophobicContact CG2-CD2 4.48Å; S72-L278 PolarHBondContact O-N 3.18Å; A73-L278 WeakPolarHBondContact CA-O 3.14Å; A73-L278 HydrophobicContact CB-CB 3.84Å; A73-L278 HydrophobicContact CB-CD2 4.42Å; A73-L278 HydrophobicContact CB-CG 4.45Å; L74-L278 PolarHBondContact N-O 2.77Å; Q76-L278 HydrophobicContact CB-CD2 4.26Å; R145-L278 HydrophobicContact CB-CD1 4.06Å; R145-L278 HydrophobicContact CG-CD1 4.39Å; Y147-L278 HydrophobicContact CD1-CB 4.09Å; Y147-L278 HydrophobicContact CD2-CD1 4.27Å; Y147-L278 HydrophobicContact CE1-CB 3.56Å; Y147-L278 HydrophobicContact CE1-CD1 4.1Å; Y147-L278 HydrophobicContact CE1-CG 4.36Å; Y147-L278 HydrophobicContact CE2-CD1 3.81Å; L278-N280 WeakPolarHBondContact CD1-O 3.5Å; L278-T281 HydrophobicContact CD1-CG2 4.07Å; L278-T281 HydrophobicContact CD2-CG2 3.98Å; L278-T281 HydrophobicContact CG-CG2 4.25Å |
| 279 | C | 98.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -42.3 | -175.8 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | R75 T146 K148 I277 | R75-C279 WeakPolarHBondContact CD-O 3.36Å; R75-C279 WeakPolarHBondContact CG-O 3.02Å; T146-C279 PolarHBondContact O-N 3.49Å; K148-C279 VanDerWaalsContact CG-SG 3.6Å; I277-C279 PolarHBondContact O-N 3.11Å |
| 280 | N | 97.1 | Very high | 96.8 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.1 | -171.5 | -164.7 | 26.7 | 0 | 0 | 0 | 113.1 | R75 R145 T146 L278 N282 | R75-N280 VanDerWaalsContact CD-OD1 3.23Å; R75-N280 WeakPolarHBondContact CD-OD1 3.35Å; R145-N280 WeakPolarHBondContact CA-O 3.29Å; T146-N280 PolarHBondContact N-O 3.04Å; T146-N280 PolarHBondContact O-N 3.15Å; L278-N280 WeakPolarHBondContact CD1-O 3.5Å; N280-N282 PolarHBondContact ND2-OD1 2.94Å |
| 281 | T | 98 | Very high | 96.9 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 127.3 | 173.6 | 59 | 0 | 0 | 0 | 0 | 108.5 | C64 R75 V77 G144 R145 L278 F283 | C64-T281 WeakPolarHBondContact SG-CG2 3.09Å; R75-T281 WeakPolarHBondContact O-CG2 3.32Å; R75-T281 PolarHBondContact O-OG1 2.61Å; V77-T281 WeakPolarHBondContact CG2-OG1 3.38Å; G144-T281 CarbonylContact O-C 3.53Å; G144-T281 WeakPolarHBondContact O-CA 3.37Å; R145-T281 HydrophobicContact CG-CG2 4.29Å; L278-T281 HydrophobicContact CD1-CG2 4.07Å; L278-T281 HydrophobicContact CD2-CG2 3.98Å; L278-T281 HydrophobicContact CG-CG2 4.25Å; T281-F283 WeakPolarHBondContact OG1-CE2 3.31Å |
| 282 | N | 96.9 | Very high | 96.9 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.8 | -175 | -62 | -14.3 | 0 | 0 | 0 | 110.5 | K143 G144 N280 | K143-N282 HydrophobicContact CB-CB 4.48Å; K143-N282 PolarHBondContact N-O 3.33Å; G144-N282 PolarHBondContact O-N 3.34Å; N280-N282 PolarHBondContact ND2-OD1 2.94Å |
| 283 | F | 97.7 | Very high | 97 | Very high | 30 Ų | 30 | 64.1 Ų | 64.1 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | trans | -139 | 147.1 | 175.7 | -65.1 | -91 | 0 | 0 | 0 | 108.5 | C64 V77 F136 A138 C141 C142 T281 L286 | C64-F283 HydrophobicContact CB-CZ 3.8Å; V77-F283 HydrophobicContact CB-CE2 3.58Å; V77-F283 HydrophobicContact CB-CZ 3.75Å; V77-F283 HydrophobicContact CG1-CE2 3.81Å; V77-F283 HydrophobicContact CG1-CZ 3.75Å; V77-F283 HydrophobicContact CG2-CD2 4.42Å; V77-F283 HydrophobicContact CG2-CE2 3.65Å; V77-F283 HydrophobicContact CG2-CZ 4.34Å; F136-F283 HydrophobicContact CE2-CD1 4Å; F136-F283 HydrophobicContact CE2-CE1 4.47Å; F136-F283 AromaticContact CZ-CD1 3.64Å; F136-F283 HydrophobicContact CZ-CD1 3.64Å; F136-F283 AromaticContact CZ-CE1 3.76Å; F136-F283 HydrophobicContact CZ-CE1 3.76Å; F136-F283 HydrophobicContact CZ-CG 4.48Å; A138-F283 WeakPolarHBondContact O-CE1 3.1Å; C141-F283 HydrophobicContact CB-CD1 4.2Å; C141-F283 HydrophobicContact CB-CE1 4.44Å; C142-F283 VanDerWaalsContact CA-CE1 3.46Å; C142-F283 HydrophobicContact CB-CD1 4.28Å; C142-F283 HydrophobicContact CB-CE1 3.55Å; C142-F283 HydrophobicContact CB-CE2 4.46Å; C142-F283 HydrophobicContact CB-CZ 3.66Å; T281-F283 WeakPolarHBondContact OG1-CE2 3.31Å; F283-L286 HydrophobicContact CB-CD1 3.41Å; F283-L286 VanDerWaalsContact CB-CD1 3.41Å; F283-L286 HydrophobicContact CB-CG 3.71Å; F283-L286 HydrophobicContact CD1-CD1 4.18Å; F283-L286 HydrophobicContact CD2-CD1 4.03Å; F283-L286 HydrophobicContact CG-CD1 3.63Å; F283-L286 HydrophobicContact CG-CG 4.44Å | ||
| 284 | D | 93.9 | Very high | 97 | Very high | 96 Ų | 96 | 64.1 Ų | 64.1 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -80.7 | 142 | 174.8 | -54.1 | -25.3 | 0 | 0 | 0 | 109.5 | K143 L286 | K143-D284 WeakPolarHBondContact CE-OD2 3.24Å; K143-D284 IonicContact NZ-OD2 2.61Å; D284-L286 VanDerWaalsContact C-N 3.3Å; D284-L286 PolarHBondContact O-N 2.8Å; D284-L286 VanDerWaalsContact O-N 3.14Å |
| 285 | N | 91.3 | Very high | 97.1 | Very high | 166 Ų | 166 | 62.3 Ų | 62.3 | 89% | 0.888 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 53.2 | 38.6 | 164.2 | -51.1 | -30.4 | 0 | 0 | 0 | 115.2 | ||
| 286 | L | 94.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | trans | -95.8 | 117.6 | 171.7 | -66.8 | -168.8 | 0 | 0 | 0 | 111.3 | A16 V132 F136 F283 D284 W288 | A16-L286 HydrophobicContact CB-CD1 4.5Å; V132-L286 HydrophobicContact CG1-CD2 3.57Å; F136-L286 HydrophobicContact CD2-CD2 4.47Å; F136-L286 HydrophobicContact CE2-CD1 4.29Å; F136-L286 HydrophobicContact CE2-CD2 3.86Å; F136-L286 HydrophobicContact CE2-CG 4.5Å; F136-L286 HydrophobicContact CZ-CD1 4Å; F136-L286 HydrophobicContact CZ-CD2 4.24Å; F283-L286 HydrophobicContact CB-CD1 3.41Å; F283-L286 VanDerWaalsContact CB-CD1 3.41Å; F283-L286 HydrophobicContact CB-CG 3.71Å; F283-L286 HydrophobicContact CD1-CD1 4.18Å; F283-L286 HydrophobicContact CD2-CD1 4.03Å; F283-L286 HydrophobicContact CG-CD1 3.63Å; F283-L286 HydrophobicContact CG-CG 4.44Å; D284-L286 VanDerWaalsContact C-N 3.3Å; D284-L286 PolarHBondContact O-N 2.8Å; D284-L286 VanDerWaalsContact O-N 3.14Å; L286-W288 HydrophobicContact CB-CZ2 4.43Å; L286-W288 HydrophobicContact CD1-CH2 4.14Å; L286-W288 HydrophobicContact CD1-CZ2 3.54Å; L286-W288 PolarHBondContact O-N 2.88Å | ||
| 287 | E | 95.2 | Very high | 97 | Very high | 149 Ų | 149 | 69.6 Ų | 69.6 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | trans | -85.8 | 90.2 | 172.6 | -66.4 | -175.3 | 177.2 | 0 | 0 | 110.5 | A130 Q289 | A130-E287 WeakPolarHBondContact CB-O 3.02Å; E287-Q289 PolarHBondContact O-N 3.35Å | ||
| 288 | W | 97.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | trans | -70.2 | 123.5 | 179.4 | -66.4 | 102.9 | 0 | 0 | 0 | 112.1 | A16 M18 V77 A128 W129 A130 L286 W290 | A16-W288 HydrophobicContact CB-CH2 4Å; A16-W288 HydrophobicContact CB-CZ3 4.22Å; M18-W288 HydrophobicContact CB-CE3 4.34Å; M18-W288 HydrophobicContact CB-CH2 4.09Å; M18-W288 HydrophobicContact CB-CZ3 3.78Å; M18-W288 HydrophobicContact CE-CD2 3.57Å; M18-W288 HydrophobicContact CE-CE3 3.81Å; M18-W288 HydrophobicContact CE-CG 4.24Å; M18-W288 HydrophobicContact CE-CH2 3.73Å; M18-W288 HydrophobicContact CE-CZ2 3.46Å; M18-W288 VanDerWaalsContact CE-CZ2 3.46Å; M18-W288 HydrophobicContact CE-CZ3 3.9Å; V77-W288 HydrophobicContact CG1-CH2 3.96Å; V77-W288 HydrophobicContact CG2-CH2 3.68Å; V77-W288 HydrophobicContact CG2-CZ2 3.99Å; A128-W288 HydrophobicContact CB-CE3 3.91Å; W129-W288 CarbonylContact O-C 3.47Å; A130-W288 HydrophobicContact CB-CD2 4.21Å; A130-W288 HydrophobicContact CB-CE3 3.86Å; A130-W288 HydrophobicContact CB-CZ3 4.14Å; L286-W288 HydrophobicContact CB-CZ2 4.43Å; L286-W288 HydrophobicContact CD1-CH2 4.14Å; L286-W288 HydrophobicContact CD1-CZ2 3.54Å; L286-W288 PolarHBondContact O-N 2.88Å; W288-W290 HydrophobicContact CB-CZ2 3.86Å; W288-W290 HydrophobicContact CG-CZ2 4.2Å; W288-W290 PolarHBondContact O-NE1 3Å | ||
| 289 | Q | 97.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 74.3 Ų | 74.3 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.1 | 170.2 | -54.9 | -58.4 | -43.1 | 0 | 0 | 109.4 | A128 W129 E287 | A128-Q289 WeakPolarHBondContact CA-O 3.24Å; W129-Q289 HydrophobicContact CD2-CB 4.24Å; W129-Q289 HydrophobicContact CD2-CG 4.27Å; W129-Q289 HydrophobicContact CG-CB 4.24Å; W129-Q289 HydrophobicContact CH2-CG 4.42Å; W129-Q289 HydrophobicContact CZ2-CB 4.3Å; W129-Q289 HydrophobicContact CZ2-CG 3.9Å; W129-Q289 PolarHBondContact N-O 3.21Å; W129-Q289 WeakPolarHBondContact O-CA 3.39Å; W129-Q289 WeakPolarHBondContact O-CB 3.42Å; W129-Q289 PolarHBondContact O-N 2.93Å; E287-Q289 PolarHBondContact O-N 3.35Å |
| 290 | W | 97.8 | Very high | 96.9 | Very high | 108 Ų | 108 | 76.2 Ų | 76.2 | 41% | 0.409 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.4 | -179.1 | -57.3 | 91.7 | 0 | 0 | 0 | 110.7 | M18 I127 A128 W288 L295 | M18-W290 HydrophobicContact CE-CH2 4.12Å; M18-W290 HydrophobicContact SD-CH2 3.88Å; M18-W290 HydrophobicContact SD-CZ3 4.45Å; I127-W290 HydrophobicContact CD1-CZ3 4.39Å; A128-W290 HydrophobicContact CB-CD2 3.99Å; A128-W290 HydrophobicContact CB-CE3 3.64Å; A128-W290 HydrophobicContact CB-CH2 3.95Å; A128-W290 HydrophobicContact CB-CZ2 4.27Å; A128-W290 HydrophobicContact CB-CZ3 3.64Å; W288-W290 HydrophobicContact CB-CZ2 3.86Å; W288-W290 HydrophobicContact CG-CZ2 4.2Å; W288-W290 PolarHBondContact O-NE1 3Å; W290-L295 HydrophobicContact CB-CD1 4.48Å; W290-L295 HydrophobicContact CE3-CD1 3.96Å; W290-L295 HydrophobicContact CE3-CD2 4.05Å; W290-L295 HydrophobicContact CE3-CG 4.46Å; W290-L295 HydrophobicContact CZ3-CD2 4.26Å |
| 291 | N | 97.2 | Very high | 96.7 | Very high | 40 Ų | 40 | 77.9 Ų | 77.9 | 21% | 0.214 | 37% | 0.371 | C | S | . | . | trans | -118.3 | 113.3 | 169 | -179.1 | -26.2 | 0 | 0 | 0 | 109.1 | D111 S114 K293 V294 L295 | D111-N291 PolarHBondContact OD2-ND2 3.29Å; S114-N291 PolarHBondContact OG-ND2 2.89Å; N291-K293 VanDerWaalsContact C-N 3.28Å; N291-K293 PolarHBondContact O-N 2.85Å; N291-K293 VanDerWaalsContact OD1-CB 3.31Å; N291-K293 WeakPolarHBondContact OD1-CB 3.3Å; N291-K293 PolarHBondContact OD1-N 2.78Å; N291-V294 HydrophobicContact CB-CB 4.05Å; N291-V294 HydrophobicContact CB-CG2 3.93Å; N291-V294 WeakPolarHBondContact O-CB 3.46Å; N291-V294 PolarHBondContact O-N 2.93Å; N291-V294 VanDerWaalsContact O-N 3.14Å; N291-V294 PolarHBondContact OD1-N 3.03Å; N291-L295 WeakPolarHBondContact O-CG 3.33Å; N291-L295 PolarHBondContact O-N 3.01Å | ||
| 292 | H | 97.4 | Very high | 96.6 | Very high | 141 Ų | 141 | 81.2 Ų | 81.2 | 65% | 0.653 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.1 | -34.5 | -178.5 | -72.6 | -69 | 0 | 0 | 0 | 113.6 | L295 N296 | H292-L295 PolarHBondContact O-N 3.39Å; H292-N296 WeakPolarHBondContact O-CB 3.31Å; H292-N296 PolarHBondContact O-N 2.82Å; H292-N296 PolarHBondContact O-ND2 2.64Å; H292-N296 PolarHBondContact O-OD1 2.74Å |
| 293 | K | 98 | Very high | 96.7 | Very high | 139 Ų | 139 | 83 Ų | 83 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 175.5 | -177.1 | -179.1 | 173.9 | -177.9 | 0 | 110.3 | N291 L295 N296 E297 | N291-K293 VanDerWaalsContact C-N 3.28Å; N291-K293 PolarHBondContact O-N 2.85Å; N291-K293 VanDerWaalsContact OD1-CB 3.31Å; N291-K293 WeakPolarHBondContact OD1-CB 3.3Å; N291-K293 PolarHBondContact OD1-N 2.78Å; K293-L295 PolarHBondContact O-N 3.24Å; K293-N296 PolarHBondContact O-N 2.88Å; K293-E297 WeakPolarHBondContact CE-OE1 3.17Å; K293-E297 WeakPolarHBondContact O-CG 3.35Å; K293-E297 PolarHBondContact O-N 3.35Å |
| 294 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | P113 S114 N117 V126 N291 N296 E297 V298 | P113-V294 HydrophobicContact CB-CG1 4.11Å; P113-V294 HydrophobicContact CB-CG2 4.14Å; S114-V294 VanDerWaalsContact OG-CG2 3.32Å; S114-V294 WeakPolarHBondContact OG-CG2 3.45Å; N117-V294 VanDerWaalsContact ND2-CG1 3.26Å; N117-V294 WeakPolarHBondContact ND2-CG1 3.4Å; V126-V294 WeakPolarHBondContact O-CG1 3.31Å; N291-V294 HydrophobicContact CB-CB 4.05Å; N291-V294 HydrophobicContact CB-CG2 3.93Å; N291-V294 WeakPolarHBondContact O-CB 3.46Å; N291-V294 PolarHBondContact O-N 2.93Å; N291-V294 VanDerWaalsContact O-N 3.14Å; N291-V294 PolarHBondContact OD1-N 3.03Å; V294-N296 VanDerWaalsContact C-N 3.32Å; V294-N296 PolarHBondContact O-N 3.27Å; V294-E297 PolarHBondContact O-N 2.89Å; V294-V298 HydrophobicContact CG1-CG2 4.4Å; V294-V298 VanDerWaalsContact O-CG2 3.26Å; V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 2.94Å |
| 295 | L | 98.2 | Very high | 96.6 | Very high | 38 Ų | 38 | 81.6 Ų | 81.6 | 20% | 0.199 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 178.2 | -66.9 | 178.6 | 0 | 0 | 0 | 112.5 | I127 W290 N291 H292 K293 R299 | I127-L295 HydrophobicContact CB-CD2 4.04Å; W290-L295 HydrophobicContact CB-CD1 4.48Å; W290-L295 HydrophobicContact CE3-CD1 3.96Å; W290-L295 HydrophobicContact CE3-CD2 4.05Å; W290-L295 HydrophobicContact CE3-CG 4.46Å; W290-L295 HydrophobicContact CZ3-CD2 4.26Å; N291-L295 WeakPolarHBondContact O-CG 3.33Å; N291-L295 PolarHBondContact O-N 3.01Å; H292-L295 PolarHBondContact O-N 3.39Å; K293-L295 PolarHBondContact O-N 3.24Å; L295-R299 WeakPolarHBondContact O-CB 3.48Å; L295-R299 PolarHBondContact O-N 2.94Å |
| 296 | N | 98.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 82.4 Ų | 82.4 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 177.1 | -70.3 | -14.7 | 0 | 0 | 0 | 111.7 | H292 K293 V294 R299 S300 | H292-N296 WeakPolarHBondContact O-CB 3.31Å; H292-N296 PolarHBondContact O-N 2.82Å; H292-N296 PolarHBondContact O-ND2 2.64Å; H292-N296 PolarHBondContact O-OD1 2.74Å; K293-N296 PolarHBondContact O-N 2.88Å; V294-N296 VanDerWaalsContact C-N 3.32Å; V294-N296 PolarHBondContact O-N 3.27Å; N296-R299 PolarHBondContact O-N 3.03Å; N296-R299 PolarHBondContact OD1-NH1 3.28Å; N296-S300 WeakPolarHBondContact O-CB 3.34Å; N296-S300 PolarHBondContact O-N 3.47Å |
| 297 | E | 97.1 | Very high | 97 | Very high | 101 Ų | 101 | 85 Ų | 85 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.5 | -71.8 | 170.3 | -174.1 | 0 | 0 | 111.6 | K293 V294 S300 R301 | K293-E297 WeakPolarHBondContact CE-OE1 3.17Å; K293-E297 WeakPolarHBondContact O-CG 3.35Å; K293-E297 PolarHBondContact O-N 3.35Å; V294-E297 PolarHBondContact O-N 2.89Å; E297-S300 PolarHBondContact O-N 3.14Å; E297-R301 PolarHBondContact O-N 3.17Å |
| 298 | V | 97.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 81.9 Ų | 81.9 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 111 | K125 I127 V294 R301 L302 | K125-V298 HydrophobicContact CB-CG2 3.8Å; K125-V298 HydrophobicContact CG-CG2 3.99Å; I127-V298 HydrophobicContact CG2-CG1 4.11Å; I127-V298 HydrophobicContact CG2-CG2 4.14Å; V294-V298 HydrophobicContact CG1-CG2 4.4Å; V294-V298 VanDerWaalsContact O-CG2 3.26Å; V294-V298 WeakPolarHBondContact O-CG2 3.36Å; V294-V298 PolarHBondContact O-N 2.94Å; V298-R301 PolarHBondContact O-N 3.01Å; V298-L302 HydrophobicContact CG1-CD1 4.12Å; V298-L302 HydrophobicContact CG1-CG 4.48Å; V298-L302 WeakPolarHBondContact O-CG 3.17Å; V298-L302 PolarHBondContact O-N 3.32Å |
| 299 | R | 97.8 | Very high | 97 | Very high | 126 Ų | 126 | 83.1 Ų | 83.1 | 48% | 0.475 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 176.1 | -173.3 | -176.2 | -56.6 | 104.8 | 2.9 | 111.5 | L295 N296 R301 L302 Q303 | L295-R299 WeakPolarHBondContact O-CB 3.48Å; L295-R299 PolarHBondContact O-N 2.94Å; N296-R299 PolarHBondContact O-N 3.03Å; N296-R299 PolarHBondContact OD1-NH1 3.28Å; R299-R301 PolarHBondContact O-N 2.89Å; R299-L302 PolarHBondContact O-N 2.87Å; R299-Q303 HydrophobicContact CG-CG 4.43Å; R299-Q303 WeakPolarHBondContact O-CG 3.37Å; R299-Q303 PolarHBondContact O-N 3.42Å |
| 300 | S | 97.3 | Very high | 97 | Very high | 65 Ų | 65 | 80.7 Ų | 80.7 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 111 | N296 E297 Q303 T304 | N296-S300 WeakPolarHBondContact O-CB 3.34Å; N296-S300 PolarHBondContact O-N 3.47Å; E297-S300 PolarHBondContact O-N 3.14Å; S300-Q303 WeakPolarHBondContact O-CB 3.03Å; S300-Q303 PolarHBondContact O-N 3.33Å; S300-T304 PolarHBondContact O-N 3.44Å; S300-T304 PolarHBondContact O-OG1 3.48Å; S300-T304 VanDerWaalsContact O-OG1 3.12Å |
| 301 | R | 94.1 | Very high | 97 | Very high | 89 Ų | 89 | 80.5 Ų | 80.5 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.1 | -174.9 | 52.5 | 52.9 | 153.2 | -1.8 | 113.3 | Q122 E297 V298 R299 Q303 T304 H305 | Q122-R301 HydrophobicContact CB-CG 4.31Å; E297-R301 PolarHBondContact O-N 3.17Å; V298-R301 PolarHBondContact O-N 3.01Å; R299-R301 PolarHBondContact O-N 2.89Å; R301-Q303 VanDerWaalsContact C-N 3.27Å; R301-Q303 PolarHBondContact O-N 2.99Å; R301-T304 PolarHBondContact O-N 2.93Å; R301-H305 PolarHBondContact O-CD2 3.47Å; R301-H305 VanDerWaalsContact O-CD2 3.32Å; R301-H305 PolarHBondContact O-N 3.32Å |
| 302 | L | 96.1 | Very high | 97 | Very high | 78 Ų | 78 | 84.2 Ų | 84.2 | 41% | 0.408 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 176.9 | -70.3 | 173.5 | 0 | 0 | 0 | 111.5 | V22 V298 R299 H305 W306 | V22-L302 HydrophobicContact CG2-CD2 4.18Å; V298-L302 HydrophobicContact CG1-CD1 4.12Å; V298-L302 HydrophobicContact CG1-CG 4.48Å; V298-L302 WeakPolarHBondContact O-CG 3.17Å; V298-L302 PolarHBondContact O-N 3.32Å; R299-L302 PolarHBondContact O-N 2.87Å; L302-H305 PolarHBondContact O-N 3.22Å; L302-W306 WeakPolarHBondContact O-CB 3.39Å; L302-W306 PolarHBondContact O-N 2.82Å |
| 303 | Q | 97.7 | Very high | 96.9 | Very high | 108 Ų | 108 | 80.2 Ų | 80.2 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 173.3 | -73.3 | 171.1 | -45.4 | 0 | 0 | 111.6 | R299 S300 R301 H305 W306 I307 | R299-Q303 HydrophobicContact CG-CG 4.43Å; R299-Q303 WeakPolarHBondContact O-CG 3.37Å; R299-Q303 PolarHBondContact O-N 3.42Å; S300-Q303 WeakPolarHBondContact O-CB 3.03Å; S300-Q303 PolarHBondContact O-N 3.33Å; R301-Q303 VanDerWaalsContact C-N 3.27Å; R301-Q303 PolarHBondContact O-N 2.99Å; Q303-H305 PolarHBondContact O-N 3.02Å; Q303-W306 PolarHBondContact O-N 2.92Å; Q303-I307 VanDerWaalsContact O-CG1 3.29Å; Q303-I307 WeakPolarHBondContact O-CG1 3.19Å; Q303-I307 PolarHBondContact O-N 3.15Å |
| 304 | T | 96.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | S300 R301 W306 I307 E308 | S300-T304 PolarHBondContact O-N 3.44Å; S300-T304 PolarHBondContact O-OG1 3.48Å; S300-T304 VanDerWaalsContact O-OG1 3.12Å; R301-T304 PolarHBondContact O-N 2.93Å; T304-W306 VanDerWaalsContact C-N 3.33Å; T304-W306 PolarHBondContact O-N 2.95Å; T304-I307 PolarHBondContact O-N 2.8Å; T304-E308 WeakPolarHBondContact O-CG 3.35Å; T304-E308 PolarHBondContact O-N 3.07Å |
| 305 | H | 93.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 82.7 Ų | 82.7 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 175.9 | -76.6 | -54.1 | 0 | 0 | 0 | 112.1 | R301 L302 Q303 I307 E308 H309 | R301-H305 PolarHBondContact O-CD2 3.47Å; R301-H305 VanDerWaalsContact O-CD2 3.32Å; R301-H305 PolarHBondContact O-N 3.32Å; L302-H305 PolarHBondContact O-N 3.22Å; Q303-H305 PolarHBondContact O-N 3.02Å; H305-I307 VanDerWaalsContact C-N 3.34Å; H305-I307 PolarHBondContact O-N 3.24Å; H305-E308 IonicContact ND1-OE2 3.36Å; H305-E308 PolarHBondContact O-N 2.9Å; H305-H309 PolarHBondContact O-CD2 3.08Å; H305-H309 VanDerWaalsContact O-CD2 3.23Å; H305-H309 PolarHBondContact O-N 3.25Å |
| 306 | W | 97 | Very high | 96.7 | Very high | 182 Ų | 182 | 85.6 Ų | 85.6 | 69% | 0.689 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 177.1 | -178.9 | 86.9 | 0 | 0 | 0 | 111.7 | L302 Q303 T304 E308 H309 A310 | L302-W306 WeakPolarHBondContact O-CB 3.39Å; L302-W306 PolarHBondContact O-N 2.82Å; Q303-W306 PolarHBondContact O-N 2.92Å; T304-W306 VanDerWaalsContact C-N 3.33Å; T304-W306 PolarHBondContact O-N 2.95Å; W306-E308 PolarHBondContact O-N 2.9Å; W306-H309 PolarHBondContact O-N 2.74Å; W306-A310 HydrophobicContact CD2-CB 4.47Å; W306-A310 HydrophobicContact CE3-CB 4.45Å; W306-A310 HydrophobicContact CH2-CB 4.28Å; W306-A310 HydrophobicContact CZ2-CB 4.29Å; W306-A310 HydrophobicContact CZ3-CB 4.36Å; W306-A310 VanDerWaalsContact O-CB 3.22Å; W306-A310 WeakPolarHBondContact O-CB 3.4Å; W306-A310 PolarHBondContact O-N 2.88Å |
| 307 | I | 98.2 | Very high | 96.4 | Very high | 85 Ų | 85 | 84.1 Ų | 84.1 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 177 | -68.8 | 165.3 | 0 | 0 | 0 | 110.7 | Q303 T304 H305 H309 A310 I311 | Q303-I307 VanDerWaalsContact O-CG1 3.29Å; Q303-I307 WeakPolarHBondContact O-CG1 3.19Å; Q303-I307 PolarHBondContact O-N 3.15Å; T304-I307 PolarHBondContact O-N 2.8Å; H305-I307 VanDerWaalsContact C-N 3.34Å; H305-I307 PolarHBondContact O-N 3.24Å; I307-H309 VanDerWaalsContact C-N 3.33Å; I307-H309 PolarHBondContact O-N 3.44Å; I307-A310 PolarHBondContact O-N 3.35Å; I307-I311 HydrophobicContact CG2-CD1 3.76Å; I307-I311 HydrophobicContact CG2-CG1 4.47Å; I307-I311 WeakPolarHBondContact O-CG1 3.28Å; I307-I311 PolarHBondContact O-N 2.76Å |
| 308 | E | 96.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 82.9 Ų | 82.9 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 179.8 | -72.1 | 171.2 | -175.4 | 0 | 0 | 112.2 | T304 H305 W306 K312 | T304-E308 WeakPolarHBondContact O-CG 3.35Å; T304-E308 PolarHBondContact O-N 3.07Å; H305-E308 IonicContact ND1-OE2 3.36Å; H305-E308 PolarHBondContact O-N 2.9Å; W306-E308 PolarHBondContact O-N 2.9Å; E308-K312 VanDerWaalsContact O-CG 3.28Å; E308-K312 WeakPolarHBondContact O-CG 3.35Å; E308-K312 PolarHBondContact O-N 3.04Å |
| 309 | H | 95.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 87.9 Ų | 87.9 | 37% | 0.37 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.4 | -34.1 | -179.7 | -78.3 | -83.8 | 0 | 0 | 0 | 112.8 | W24 H305 W306 I307 K312 S313 | W24-H309 AromaticContact CZ3-CD2 3.8Å; W24-H309 AromaticContact CZ3-CE1 3.59Å; W24-H309 AromaticContact CZ3-NE2 3.34Å; W24-H309 VanDerWaalsContact CZ3-NE2 3.34Å; W24-H309 WeakPolarHBondContact CZ3-NE2 3.47Å; H305-H309 PolarHBondContact O-CD2 3.08Å; H305-H309 VanDerWaalsContact O-CD2 3.23Å; H305-H309 PolarHBondContact O-N 3.25Å; W306-H309 PolarHBondContact O-N 2.74Å; I307-H309 VanDerWaalsContact C-N 3.33Å; I307-H309 PolarHBondContact O-N 3.44Å; H309-K312 PolarHBondContact O-N 2.93Å; H309-S313 WeakPolarHBondContact O-CB 3.38Å; H309-S313 PolarHBondContact O-N 2.91Å |
| 310 | A | 97.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 85.4 Ų | 85.4 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W306 I307 S313 R314 | W306-A310 HydrophobicContact CD2-CB 4.47Å; W306-A310 HydrophobicContact CE3-CB 4.45Å; W306-A310 HydrophobicContact CH2-CB 4.28Å; W306-A310 HydrophobicContact CZ2-CB 4.29Å; W306-A310 HydrophobicContact CZ3-CB 4.36Å; W306-A310 VanDerWaalsContact O-CB 3.22Å; W306-A310 WeakPolarHBondContact O-CB 3.4Å; W306-A310 PolarHBondContact O-N 2.88Å; I307-A310 PolarHBondContact O-N 3.35Å; A310-S313 PolarHBondContact O-N 2.91Å; A310-R314 PolarHBondContact O-N 2.74Å |
| 311 | I | 98.5 | Very high | 95.3 | Very high | 103 Ų | 103 | 85.4 Ų | 85.4 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.4 | -68.8 | 168.8 | 0 | 0 | 0 | 110.4 | I307 S313 R314 V315 | I307-I311 HydrophobicContact CG2-CD1 3.76Å; I307-I311 HydrophobicContact CG2-CG1 4.47Å; I307-I311 WeakPolarHBondContact O-CG1 3.28Å; I307-I311 PolarHBondContact O-N 2.76Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.33Å; I311-R314 PolarHBondContact O-N 3.25Å; I311-V315 HydrophobicContact CG2-CG2 4.32Å; I311-V315 WeakPolarHBondContact O-CG2 3.44Å; I311-V315 PolarHBondContact O-N 2.66Å |
| 312 | K | 97.9 | Very high | 95.2 | Very high | 119 Ų | 119 | 86 Ų | 86 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 177.8 | -72.5 | 169.6 | -175.5 | 172.1 | 0 | 111.9 | E308 H309 I316 | E308-K312 VanDerWaalsContact O-CG 3.28Å; E308-K312 WeakPolarHBondContact O-CG 3.35Å; E308-K312 PolarHBondContact O-N 3.04Å; H309-K312 PolarHBondContact O-N 2.93Å; K312-I316 WeakPolarHBondContact O-CD1 3.33Å; K312-I316 VanDerWaalsContact O-CG1 3.31Å; K312-I316 WeakPolarHBondContact O-CG1 3.4Å; K312-I316 PolarHBondContact O-N 3.45Å; K312-I316 VanDerWaalsContact O-N 3.12Å |
| 313 | S | 95.2 | Very high | 94.8 | Very high | 56 Ų | 56 | 87.4 Ų | 87.4 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 175.2 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | H309 A310 I311 V315 I316 E317 | H309-S313 WeakPolarHBondContact O-CB 3.38Å; H309-S313 PolarHBondContact O-N 2.91Å; A310-S313 PolarHBondContact O-N 2.91Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.33Å; S313-V315 PolarHBondContact O-N 2.91Å; S313-I316 PolarHBondContact O-N 2.86Å; S313-E317 WeakPolarHBondContact O-CG 3.23Å; S313-E317 PolarHBondContact O-N 2.94Å; S313-E317 PolarHBondContact OG-OE1 2.67Å; S313-E317 VanDerWaalsContact OG-OE1 3.09Å |
| 314 | R | 96.5 | Very high | 94.1 | Very high | 110 Ų | 110 | 84.8 Ų | 84.8 | 42% | 0.415 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | -177.5 | 180 | 58.2 | -163.7 | 137.3 | 3.1 | 112.8 | A310 I311 E317 E318 E321 | A310-R314 PolarHBondContact O-N 2.74Å; I311-R314 PolarHBondContact O-N 3.25Å; R314-E317 PolarHBondContact O-N 2.79Å; R314-E318 IonicContact CZ-OE2 3.86Å; R314-E318 IonicContact NH2-OE2 3.54Å; R314-E318 PolarHBondContact NH2-OE2 3.22Å; R314-E318 WeakPolarHBondContact O-CB 3.22Å; R314-E318 PolarHBondContact O-N 3.35Å; R314-E321 IonicContact CZ-OE2 3.5Å; R314-E321 IonicContact NH1-OE1 3.57Å; R314-E321 PolarHBondContact NH1-OE1 3.44Å; R314-E321 IonicContact NH1-OE2 3.94Å; R314-E321 PolarHBondContact NH1-OE2 2.83Å; R314-E321 IonicContact NH2-OE2 3.95Å; R314-E321 PolarHBondContact NH2-OE2 2.84Å |
| 315 | V | 97.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 89.9 Ų | 89.9 | 50% | 0.497 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I311 S313 E317 E318 M319 | I311-V315 HydrophobicContact CG2-CG2 4.32Å; I311-V315 WeakPolarHBondContact O-CG2 3.44Å; I311-V315 PolarHBondContact O-N 2.66Å; S313-V315 PolarHBondContact O-N 2.91Å; V315-E317 VanDerWaalsContact C-N 3.34Å; V315-E318 PolarHBondContact O-N 3.41Å; V315-M319 HydrophobicContact CG1-SD 4.35Å; V315-M319 WeakPolarHBondContact O-CG 3.48Å; V315-M319 PolarHBondContact O-N 2.95Å; V315-M319 VanDerWaalsContact O-N 3.09Å |
| 316 | I | 94.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 95.4 Ų | 95.4 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.8 | -67.2 | 165.1 | 0 | 0 | 0 | 110.7 | K312 S313 E318 M319 L320 | K312-I316 WeakPolarHBondContact O-CD1 3.33Å; K312-I316 VanDerWaalsContact O-CG1 3.31Å; K312-I316 WeakPolarHBondContact O-CG1 3.4Å; K312-I316 PolarHBondContact O-N 3.45Å; K312-I316 VanDerWaalsContact O-N 3.12Å; S313-I316 PolarHBondContact O-N 2.86Å; I316-E318 PolarHBondContact O-N 3.46Å; I316-M319 PolarHBondContact O-N 3.32Å; I316-L320 HydrophobicContact CG2-CD1 4Å; I316-L320 HydrophobicContact CG2-CG 4.38Å; I316-L320 WeakPolarHBondContact O-CG 3.4Å; I316-L320 PolarHBondContact O-N 3.35Å |
| 317 | E | 91.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 90.7 Ų | 90.7 | 25% | 0.248 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.6 | -74 | 177.8 | -129.2 | 0 | 0 | 112.2 | K211 S313 R314 V315 M319 L320 E321 | K211-E317 IonicContact NZ-OE2 3.59Å; K211-E317 PolarHBondContact NZ-OE2 2.96Å; S313-E317 WeakPolarHBondContact O-CG 3.23Å; S313-E317 PolarHBondContact O-N 2.94Å; S313-E317 PolarHBondContact OG-OE1 2.67Å; S313-E317 VanDerWaalsContact OG-OE1 3.09Å; R314-E317 PolarHBondContact O-N 2.79Å; V315-E317 VanDerWaalsContact C-N 3.34Å; E317-M319 PolarHBondContact O-N 3.32Å; E317-L320 PolarHBondContact O-N 3.44Å; E317-E321 WeakPolarHBondContact O-CB 3.14Å; E317-E321 VanDerWaalsContact O-CG 3.24Å; E317-E321 WeakPolarHBondContact O-CG 3.29Å; E317-E321 PolarHBondContact O-N 2.89Å |
| 318 | E | 95 | Very high | 91.2 | Very high | 76 Ų | 76 | 91.7 Ų | 91.7 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 174.7 | -178.9 | 69.2 | -146.7 | 0 | 0 | 111.6 | R314 V315 I316 L320 E321 Q322 | R314-E318 IonicContact CZ-OE2 3.86Å; R314-E318 IonicContact NH2-OE2 3.54Å; R314-E318 PolarHBondContact NH2-OE2 3.22Å; R314-E318 WeakPolarHBondContact O-CB 3.22Å; R314-E318 PolarHBondContact O-N 3.35Å; V315-E318 PolarHBondContact O-N 3.41Å; I316-E318 PolarHBondContact O-N 3.46Å; E318-L320 PolarHBondContact O-N 2.89Å; E318-E321 PolarHBondContact O-N 3.16Å; E318-Q322 WeakPolarHBondContact O-CG 3.47Å; E318-Q322 PolarHBondContact O-N 3.09Å; E318-Q322 PolarHBondContact OE1-NE2 2.98Å |
| 319 | M | 94.9 | Very high | 90 | Very high | 119 Ų | 119 | 94 Ų | 94 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 177.2 | -66 | 176.6 | 84.4 | 0 | 0 | 111.9 | V315 I316 E317 E321 Q322 L323 | V315-M319 HydrophobicContact CG1-SD 4.35Å; V315-M319 WeakPolarHBondContact O-CG 3.48Å; V315-M319 PolarHBondContact O-N 2.95Å; V315-M319 VanDerWaalsContact O-N 3.09Å; I316-M319 PolarHBondContact O-N 3.32Å; E317-M319 PolarHBondContact O-N 3.32Å; M319-E321 VanDerWaalsContact C-N 3.33Å; M319-Q322 PolarHBondContact O-N 2.75Å; M319-L323 WeakPolarHBondContact O-CG 3.44Å; M319-L323 PolarHBondContact O-N 2.93Å; M319-L323 VanDerWaalsContact O-N 3.11Å |
| 320 | L | 89.5 | Confident | 88.7 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.7 | -71.3 | 169.8 | 0 | 0 | 0 | 111.7 | I316 E317 E318 L323 N324 | I316-L320 HydrophobicContact CG2-CD1 4Å; I316-L320 HydrophobicContact CG2-CG 4.38Å; I316-L320 WeakPolarHBondContact O-CG 3.4Å; I316-L320 PolarHBondContact O-N 3.35Å; E317-L320 PolarHBondContact O-N 3.44Å; E318-L320 PolarHBondContact O-N 2.89Å; L320-L323 PolarHBondContact O-N 3.45Å; L320-N324 PolarHBondContact O-N 3.27Å; L320-N324 PolarHBondContact O-ND2 3.26Å; L320-N324 PolarHBondContact O-OD1 3.44Å |
| 321 | E | 88.3 | Confident | 87 | Confident | 64 Ų | 64 | 94.6 Ų | 94.6 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 177.8 | -76.6 | 160.7 | -172.8 | 0 | 0 | 111.6 | K211 R314 E317 E318 M319 N324 L344 | K211-E321 IonicContact NZ-OE1 3.09Å; R314-E321 IonicContact CZ-OE2 3.5Å; R314-E321 IonicContact NH1-OE1 3.57Å; R314-E321 PolarHBondContact NH1-OE1 3.44Å; R314-E321 IonicContact NH1-OE2 3.94Å; R314-E321 PolarHBondContact NH1-OE2 2.83Å; R314-E321 IonicContact NH2-OE2 3.95Å; R314-E321 PolarHBondContact NH2-OE2 2.84Å; E317-E321 WeakPolarHBondContact O-CB 3.14Å; E317-E321 VanDerWaalsContact O-CG 3.24Å; E317-E321 WeakPolarHBondContact O-CG 3.29Å; E317-E321 PolarHBondContact O-N 2.89Å; E318-E321 PolarHBondContact O-N 3.16Å; M319-E321 VanDerWaalsContact C-N 3.33Å; E321-N324 WeakPolarHBondContact O-CB 3.44Å; E321-N324 PolarHBondContact O-N 2.95Å; E321-N324 PolarHBondContact O-ND2 3.02Å; E321-L344 HydrophobicContact CG-CD1 4.13Å |
| 322 | Q | 90.5 | Very high | 84.8 | Confident | 101 Ų | 101 | 97.3 Ų | 97.3 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -31.9 | 176.9 | -69.2 | -179.4 | 24.6 | 0 | 0 | 113.3 | E318 M319 N324 E325 | E318-Q322 WeakPolarHBondContact O-CG 3.47Å; E318-Q322 PolarHBondContact O-N 3.09Å; E318-Q322 PolarHBondContact OE1-NE2 2.98Å; M319-Q322 PolarHBondContact O-N 2.75Å; Q322-N324 PolarHBondContact O-N 3.18Å; Q322-E325 WeakPolarHBondContact O-CB 3.42Å; Q322-E325 WeakPolarHBondContact O-CG 3.32Å; Q322-E325 PolarHBondContact O-N 2.86Å |
| 323 | L | 89.1 | Confident | 82.6 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -27 | 177.4 | -75.6 | 173.6 | 0 | 0 | 0 | 112.8 | M319 L320 E325 F326 | M319-L323 WeakPolarHBondContact O-CG 3.44Å; M319-L323 PolarHBondContact O-N 2.93Å; M319-L323 VanDerWaalsContact O-N 3.11Å; L320-L323 PolarHBondContact O-N 3.45Å; L323-E325 PolarHBondContact O-N 2.9Å; L323-F326 HydrophobicContact CD2-CD2 4.42Å; L323-F326 PolarHBondContact O-N 3.13Å |
| 324 | N | 82.5 | Confident | 80.2 | Confident | 54 Ų | 54 | 94.4 Ų | 94.4 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -63.8 | -19.2 | 176.4 | -56.2 | -39.6 | 0 | 0 | 0 | 112.9 | L320 E321 Q322 F326 D327 L344 | L320-N324 PolarHBondContact O-N 3.27Å; L320-N324 PolarHBondContact O-ND2 3.26Å; L320-N324 PolarHBondContact O-OD1 3.44Å; E321-N324 WeakPolarHBondContact O-CB 3.44Å; E321-N324 PolarHBondContact O-N 2.95Å; E321-N324 PolarHBondContact O-ND2 3.02Å; Q322-N324 PolarHBondContact O-N 3.18Å; N324-F326 PolarHBondContact O-N 3.33Å; N324-D327 WeakPolarHBondContact O-CB 3.27Å; N324-D327 PolarHBondContact O-N 3.45Å; N324-L344 VanDerWaalsContact ND2-CD2 3.27Å; N324-L344 WeakPolarHBondContact ND2-CD2 3.44Å; N324-L344 WeakPolarHBondContact ND2-CG 3.24Å |
| 325 | E | 83.7 | Confident | 77.5 | Confident | 159 Ų | 159 | 95.5 Ų | 95.5 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -65.4 | -20 | 174.7 | -62.6 | -177.6 | -178.3 | 0 | 0 | 112.4 | Q322 L323 | Q322-E325 WeakPolarHBondContact O-CB 3.42Å; Q322-E325 WeakPolarHBondContact O-CG 3.32Å; Q322-E325 PolarHBondContact O-N 2.86Å; L323-E325 PolarHBondContact O-N 2.9Å |
| 326 | F | 85 | Confident | 74.7 | Confident | 162 Ų | 162 | 97 Ų | 97 | 71% | 0.711 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -99.2 | 2.3 | 179.1 | -56 | -80.8 | 0 | 0 | 0 | 113.4 | L323 N324 D328 | L323-F326 HydrophobicContact CD2-CD2 4.42Å; L323-F326 PolarHBondContact O-N 3.13Å; N324-F326 PolarHBondContact O-N 3.33Å; F326-D328 PolarHBondContact O-N 2.96Å |
| 327 | D | 79.5 | Confident | 72.1 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -62.9 | 130 | 175 | -70.7 | -19 | 0 | 0 | 0 | 109.2 | N324 P329 | N324-D327 WeakPolarHBondContact O-CB 3.27Å; N324-D327 PolarHBondContact O-N 3.45Å; D327-P329 VanDerWaalsContact O-CD 3.23Å; D327-P329 WeakPolarHBondContact O-CD 3.15Å |
| 328 | D | 76.3 | Confident | 69.4 | Low | 107 Ų | 107 | 100.5 Ų | 100.5 | 57% | 0.572 | 55% | 0.548 | S | S | * | . | trans | -65.9 | 115.9 | 177 | 179.4 | 9.7 | 0 | 0 | 0 | 109 | F326 G330 D331 | F326-D328 PolarHBondContact O-N 2.96Å; D328-G330 PolarHBondContact O-N 3.12Å; D328-G330 VanDerWaalsContact O-N 3.09Å; D328-G330 PolarHBondContact OD1-N 3.01Å; D328-D331 HydrophobicContact CB-CB 4.09Å; D328-D331 PolarHBondContact O-N 2.97Å | ||
| 329 | P | 70 | Confident | 66.5 | Low | 130 Ų | 130 | 105 Ų | 105 | 84% | 0.844 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.8 | 177.2 | 24.9 | -32.9 | 0 | 0 | 0 | 112.7 | D327 | D327-P329 VanDerWaalsContact O-CD 3.23Å; D327-P329 WeakPolarHBondContact O-CD 3.15Å |
| 330 | G | 68.4 | Low | 63.8 | Low | 53 Ų | 53 | 104 Ų | 104 | 55% | 0.546 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D328 E332 | D328-G330 PolarHBondContact O-N 3.12Å; D328-G330 VanDerWaalsContact O-N 3.09Å; D328-G330 PolarHBondContact OD1-N 3.01Å; G330-E332 PolarHBondContact O-N 3.12Å |
| 331 | D | 62.7 | Low | 61.3 | Low | 75 Ų | 75 | 104.4 Ų | 104.4 | 40% | 0.401 | 59% | 0.592 | S | S | . | * | trans | -78.2 | 89.4 | 177.3 | -169 | -2.1 | 0 | 0 | 0 | 110.5 | D328 S333 A334 | D328-D331 HydrophobicContact CB-CB 4.09Å; D328-D331 PolarHBondContact O-N 2.97Å; D331-S333 PolarHBondContact O-N 3.35Å; D331-S333 WeakPolarHBondContact OD1-CB 3.38Å; D331-S333 PolarHBondContact OD1-N 2.82Å; D331-S333 PolarHBondContact OD1-OG 3.03Å; D331-S333 PolarHBondContact OD2-OG 3.05Å; D331-S333 VanDerWaalsContact OD2-OG 3.04Å; D331-A334 WeakPolarHBondContact O-CB 3.34Å; D331-A334 PolarHBondContact O-N 2.99Å | ||
| 332 | E | 52.6 | Low | 58.9 | Low | 160 Ų | 160 | 111.8 Ų | 111.8 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -59.3 | -14.4 | 174.3 | -68.6 | -175.3 | 166.7 | 0 | 0 | 113.2 | G330 A334 L335 | G330-E332 PolarHBondContact O-N 3.12Å; E332-A334 PolarHBondContact O-N 2.86Å; E332-L335 PolarHBondContact O-N 3.18Å; E332-L335 VanDerWaalsContact O-N 3.08Å |
| 333 | S | 51.9 | Low | 56.7 | Low | 86 Ų | 86 | 114.2 Ų | 114.2 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -65.6 | -22.2 | 172.4 | 83.9 | 0 | 0 | 0 | 0 | 112.6 | D331 | D331-S333 PolarHBondContact O-N 3.35Å; D331-S333 WeakPolarHBondContact OD1-CB 3.38Å; D331-S333 PolarHBondContact OD1-N 2.82Å; D331-S333 PolarHBondContact OD1-OG 3.03Å; D331-S333 PolarHBondContact OD2-OG 3.05Å; D331-S333 VanDerWaalsContact OD2-OG 3.04Å |
| 334 | A | 44.5 | Very low | 54.5 | Low | 28 Ų | 28 | 110.8 Ų | 110.8 | 23% | 0.231 | 62% | 0.617 | C | S | . | * | G | 310 helix | trans | -86.4 | -7.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D331 E332 L347 | D331-A334 WeakPolarHBondContact O-CB 3.34Å; D331-A334 PolarHBondContact O-N 2.99Å; E332-A334 PolarHBondContact O-N 2.86Å; A334-L347 WeakPolarHBondContact O-CD1 3.27Å |
| 335 | L | 39.1 | Very low | 52.6 | Low | 134 Ų | 134 | 112.3 Ų | 112.3 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | -89.4 | -2.3 | -176.9 | -129.8 | 92.1 | 0 | 0 | 0 | 113.9 | E332 S337 | E332-L335 PolarHBondContact O-N 3.18Å; E332-L335 VanDerWaalsContact O-N 3.08Å; L335-S337 PolarHBondContact O-N 3.36Å | ||
| 336 | V | 38.8 | Very low | 50.8 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | trans | -82.8 | 53.3 | -177.9 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | L347 | V336-L347 WeakPolarHBondContact O-CD2 3.2Š| ||
| 337 | S | 41.4 | Very low | 48.9 | Very low | 70 Ų | 70 | 102.2 Ų | 102.2 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -160.9 | 116 | 145.6 | 57 | 0 | 0 | 0 | 0 | 111.2 | L335 L347 | L335-S337 PolarHBondContact O-N 3.36Å; S337-L347 WeakPolarHBondContact OG-CD2 3.44Å; S337-L347 WeakPolarHBondContact OG-CG 3.19Å |
| 338 | D | 32.9 | Very low | 47.7 | Very low | 155 Ų | 155 | 101 Ų | 101 | 83% | 0.829 | 58% | 0.584 | S | S | * | * | trans | 2.2 | 112.6 | 157.3 | -65.4 | -36.4 | 0 | 0 | 0 | 117.8 | A340 | D338-A340 PolarHBondContact O-N 3.16Š| ||
| 339 | I | 35.3 | Very low | 47 | Very low | 169 Ų | 169 | 99.3 Ų | 99.3 | 87% | 0.867 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -2.7 | 111.9 | 141.6 | -57.5 | 165.7 | 0 | 0 | 0 | 113.8 | ||
| 340 | A | 37.5 | Very low | 47.2 | Very low | 99 Ų | 99 | 96.3 Ų | 96.3 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | trans | 128 | 47.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D338 | D338-A340 PolarHBondContact O-N 3.16Š| ||
| 341 | S | 37.5 | Very low | 48 | Very low | 84 Ų | 84 | 94.2 Ų | 94.2 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | trans | -159.3 | 111.5 | 149.7 | -162.4 | 0 | 0 | 0 | 0 | 109.9 | H343 | S341-H343 PolarHBondContact O-N 3.02Å; S341-H343 WeakPolarHBondContact OG-CB 3.43Å | ||
| 342 | F | 37.6 | Very low | 49 | Very low | 218 Ų | 218 | 90.9 Ų | 90.9 | 96% | 0.956 | 51% | 0.509 | S | S | * | . | trans | -69.6 | 26.5 | 167.5 | -121.4 | -90.9 | 0 | 0 | 0 | 111.6 | ||||
| 343 | H | 44.2 | Very low | 50.6 | Low | 152 Ų | 152 | 85.8 Ų | 85.8 | 70% | 0.704 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -121.7 | 94.1 | -177 | -70.8 | -8.5 | 0 | 0 | 0 | 109.5 | S341 | S341-H343 PolarHBondContact O-N 3.02Å; S341-H343 WeakPolarHBondContact OG-CB 3.43Å |
| 344 | L | 43.8 | Very low | 52.3 | Low | 36 Ų | 36 | 86.8 Ų | 86.8 | 19% | 0.188 | 49% | 0.494 | C | S | . | . | trans | 54.8 | 120 | 176.6 | -78.9 | 125.6 | 0 | 0 | 0 | 113.6 | E321 N324 I346 | E321-L344 HydrophobicContact CG-CD1 4.13Å; N324-L344 VanDerWaalsContact ND2-CD2 3.27Å; N324-L344 WeakPolarHBondContact ND2-CD2 3.44Å; N324-L344 WeakPolarHBondContact ND2-CG 3.24Å; L344-I346 HydrophobicContact CB-CB 4.04Å; L344-I346 HydrophobicContact CB-CD1 3.46Å; L344-I346 VanDerWaalsContact CB-CD1 3.46Å; L344-I346 HydrophobicContact CB-CG1 3.54Å; L344-I346 HydrophobicContact CD1-CD1 3.6Å; L344-I346 HydrophobicContact CD1-CG1 4.45Å; L344-I346 HydrophobicContact CD2-CD1 3.63Å; L344-I346 HydrophobicContact CD2-CG1 3.6Å; L344-I346 HydrophobicContact CG-CD1 3.72Å; L344-I346 HydrophobicContact CG-CG1 4.02Å; L344-I346 PolarHBondContact O-N 2.94Å | ||
| 345 | N | 42.8 | Very low | 54.6 | Low | 87 Ų | 87 | 86.4 Ų | 86.4 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | trans | -65.2 | 52.7 | 147.5 | -80.8 | -18.6 | 0 | 0 | 0 | 110 | L347 | N345-L347 PolarHBondContact O-N 3.39Š| ||
| 346 | I | 45.5 | Very low | 57 | Low | 43 Ų | 43 | 80.6 Ų | 80.6 | 22% | 0.221 | 46% | 0.458 | C | S | . | . | trans | -66.7 | 55.1 | 152.1 | -72.9 | 156.5 | 0 | 0 | 0 | 106.5 | A210 K211 L344 A348 M349 | A210-I346 HydrophobicContact CB-CG2 3.81Å; K211-I346 HydrophobicContact CD-CD1 4.35Å; K211-I346 HydrophobicContact CG-CD1 4.23Å; L344-I346 HydrophobicContact CB-CB 4.04Å; L344-I346 HydrophobicContact CB-CD1 3.46Å; L344-I346 VanDerWaalsContact CB-CD1 3.46Å; L344-I346 HydrophobicContact CB-CG1 3.54Å; L344-I346 HydrophobicContact CD1-CD1 3.6Å; L344-I346 HydrophobicContact CD1-CG1 4.45Å; L344-I346 HydrophobicContact CD2-CD1 3.63Å; L344-I346 HydrophobicContact CD2-CG1 3.6Å; L344-I346 HydrophobicContact CG-CD1 3.72Å; L344-I346 HydrophobicContact CG-CG1 4.02Å; L344-I346 PolarHBondContact O-N 2.94Å; I346-A348 PolarHBondContact O-N 2.87Å; I346-M349 HydrophobicContact CG2-CB 3.61Å; I346-M349 HydrophobicContact CG2-CG 3.53Å; I346-M349 HydrophobicContact CG2-SD 4.21Å | ||
| 347 | L | 44.4 | Very low | 58.9 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 96.9 | 159.5 | -97.2 | 160.7 | 0 | 0 | 0 | 105.6 | A334 V336 S337 N345 | A334-L347 WeakPolarHBondContact O-CD1 3.27Å; V336-L347 WeakPolarHBondContact O-CD2 3.2Å; S337-L347 WeakPolarHBondContact OG-CD2 3.44Å; S337-L347 WeakPolarHBondContact OG-CG 3.19Å; N345-L347 PolarHBondContact O-N 3.39Å |
| 348 | A | 54.4 | Low | 60.2 | Low | 56 Ų | 56 | 79.5 Ų | 79.5 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 75 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I346 D350 | I346-A348 PolarHBondContact O-N 2.87Å; A348-D350 PolarHBondContact O-N 2.85Å |
| 349 | M | 60.7 | Low | 61.2 | Low | 71 Ų | 71 | 74.3 Ų | 74.3 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | trans | -53.1 | 96.5 | 140 | -105 | -176.6 | 152.4 | 0 | 0 | 106.4 | K211 I346 T351 | K211-M349 HydrophobicContact CG-SD 4.4Å; I346-M349 HydrophobicContact CG2-CB 3.61Å; I346-M349 HydrophobicContact CG2-CG 3.53Å; I346-M349 HydrophobicContact CG2-SD 4.21Å; M349-T351 PolarHBondContact O-N 2.83Å | ||
| 350 | D | 75.4 | Confident | 61.9 | Low | 68 Ų | 68 | 71.7 Ų | 71.7 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -74.5 | 71.5 | 175.5 | -171.5 | -2 | 0 | 0 | 0 | 108.1 | A348 V352 S353 T354 | A348-D350 PolarHBondContact O-N 2.85Å; D350-V352 PolarHBondContact O-N 3.12Å; D350-V352 VanDerWaalsContact O-N 3.07Å; D350-V352 PolarHBondContact OD1-N 3.35Å; D350-S353 WeakPolarHBondContact CB-OG 3.23Å; D350-S353 VanDerWaalsContact CG-CB 3.48Å; D350-S353 PolarHBondContact O-N 2.7Å; D350-S353 PolarHBondContact O-OG 2.83Å; D350-S353 PolarHBondContact OD1-N 2.82Å; D350-S353 WeakPolarHBondContact OD2-CB 3.06Å; D350-S353 PolarHBondContact OD2-OG 3.01Å; D350-T354 PolarHBondContact O-N 3.47Å | ||
| 351 | T | 84 | Confident | 62.7 | Low | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.055 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -48.4 | -36.2 | 174.4 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | F151 P152 L156 M349 L355 | F151-T351 HydrophobicContact CB-CG2 4.19Å; P152-T351 WeakPolarHBondContact O-CG2 3.36Å; P152-T351 PolarHBondContact O-OG1 3.4Å; L156-T351 HydrophobicContact CD1-CG2 4.39Å; M349-T351 PolarHBondContact O-N 2.83Å; T351-L355 HydrophobicContact CG2-CD1 3.52Å; T351-L355 HydrophobicContact CG2-CG 4.18Å; T351-L355 VanDerWaalsContact O-CB 3.31Å; T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 VanDerWaalsContact O-CG 3.26Å; T351-L355 WeakPolarHBondContact O-CG 3.38Å; T351-L355 PolarHBondContact O-N 2.8Å |
| 352 | V | 85.4 | Confident | 63.9 | Low | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.03 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -74.8 | -38.1 | -174.5 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | L156 F236 Q240 D350 T354 L355 V356 | L156-V352 HydrophobicContact CD2-CG2 3.77Å; F236-V352 HydrophobicContact CB-CG1 4.01Å; F236-V352 HydrophobicContact CB-CG2 3.84Å; F236-V352 HydrophobicContact CD1-CG2 4.24Å; F236-V352 HydrophobicContact CG-CG1 4.48Å; F236-V352 HydrophobicContact CG-CG2 3.98Å; Q240-V352 HydrophobicContact CG-CG2 3.9Å; Q240-V352 VanDerWaalsContact NE2-CB 3.32Å; D350-V352 PolarHBondContact O-N 3.12Å; D350-V352 VanDerWaalsContact O-N 3.07Å; D350-V352 PolarHBondContact OD1-N 3.35Å; V352-T354 VanDerWaalsContact C-N 3.25Å; V352-T354 PolarHBondContact O-N 2.91Å; V352-L355 PolarHBondContact O-N 3.35Å; V352-V356 HydrophobicContact CG1-CB 4.19Å; V352-V356 HydrophobicContact CG1-CG2 3.92Å; V352-V356 WeakPolarHBondContact O-CA 3.38Å; V352-V356 WeakPolarHBondContact O-CB 3.27Å; V352-V356 PolarHBondContact O-N 2.75Å |
| 353 | S | 85.3 | Confident | 65.8 | Low | 53 Ų | 53 | 72 Ų | 72 | 37% | 0.371 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 175.2 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | D350 S359 | D350-S353 WeakPolarHBondContact CB-OG 3.23Å; D350-S353 VanDerWaalsContact CG-CB 3.48Å; D350-S353 PolarHBondContact O-N 2.7Å; D350-S353 PolarHBondContact O-OG 2.83Å; D350-S353 PolarHBondContact OD1-N 2.82Å; D350-S353 WeakPolarHBondContact OD2-CB 3.06Å; D350-S353 PolarHBondContact OD2-OG 3.01Å; S353-S359 WeakPolarHBondContact CA-OG 3.35Å |
| 354 | T | 87.5 | Confident | 67.8 | Low | 107 Ų | 107 | 68.2 Ų | 68.2 | 66% | 0.656 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75.4 | -40.2 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | D350 V352 | D350-T354 PolarHBondContact O-N 3.47Å; V352-T354 VanDerWaalsContact C-N 3.25Å; V352-T354 PolarHBondContact O-N 2.91Å |
| 355 | L | 92.9 | Very high | 70 | Confident | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -92.9 | -9.8 | -173.4 | -62.3 | -176 | 0 | 0 | 0 | 114.5 | Y149 F151 F236 A271 T272 P275 T351 V352 | Y149-L355 HydrophobicContact CE1-CD1 4.23Å; F151-L355 HydrophobicContact CB-CD1 3.64Å; F236-L355 HydrophobicContact CE2-CB 3.8Å; F236-L355 HydrophobicContact CE2-CD1 4.12Å; F236-L355 HydrophobicContact CZ-CB 4.29Å; F236-L355 HydrophobicContact CZ-CD1 3.74Å; A271-L355 CarbonylContact C-O 3.57Å; A271-L355 VanDerWaalsContact C-O 3.31Å; A271-L355 WeakPolarHBondContact CA-O 3.12Å; T272-L355 PolarHBondContact N-O 2.84Å; T272-L355 WeakPolarHBondContact OG1-CD2 3.38Å; P275-L355 HydrophobicContact CG-CD2 3.82Å; T351-L355 HydrophobicContact CG2-CD1 3.52Å; T351-L355 HydrophobicContact CG2-CG 4.18Å; T351-L355 VanDerWaalsContact O-CB 3.31Å; T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 VanDerWaalsContact O-CG 3.26Å; T351-L355 WeakPolarHBondContact O-CG 3.38Å; T351-L355 PolarHBondContact O-N 2.8Å; V352-L355 PolarHBondContact O-N 3.35Å |
| 356 | V | 89 | Confident | 72.4 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 7% | 0.073 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -129.8 | 94.8 | 175.1 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | A233 F236 C269 A271 V352 S358 S359 | A233-V356 HydrophobicContact CB-CG2 4.38Å; F236-V356 HydrophobicContact CD2-CG2 3.62Å; F236-V356 HydrophobicContact CE2-CG2 4.24Å; C269-V356 HydrophobicContact CB-CG1 3.92Å; A271-V356 HydrophobicContact CB-CG2 4.36Å; V352-V356 HydrophobicContact CG1-CB 4.19Å; V352-V356 HydrophobicContact CG1-CG2 3.92Å; V352-V356 WeakPolarHBondContact O-CA 3.38Å; V352-V356 WeakPolarHBondContact O-CB 3.27Å; V352-V356 PolarHBondContact O-N 2.75Å; V356-S358 PolarHBondContact O-N 2.84Å; V356-S359 PolarHBondContact O-N 2.72Å; V356-S359 PolarHBondContact O-OG 3.38Å |
| 357 | P | 79 | Confident | 74.7 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 132 | 179.4 | -23.3 | 33.7 | 0 | 0 | 0 | 110.8 | C269 T272 | C269-P357 WeakPolarHBondContact CB-O 3.46Å; C269-P357 PolarHBondContact SG-O 3.3Å; T272-P357 HydrophobicContact CG2-CG 3.94Å |
| 358 | S | 68.4 | Low | 76.9 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 24.9 | -178.5 | 96.9 | 0 | 0 | 0 | 0 | 117.8 | C269 V356 S360 | C269-S358 PolarHBondContact SG-OG 3.45Å; V356-S358 PolarHBondContact O-N 2.84Å; S358-S360 PolarHBondContact O-N 2.88Å |
| 359 | S | 55.7 | Low | 78.6 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | trans | -75.1 | -4 | 170.1 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | S353 V356 C361 | S353-S359 WeakPolarHBondContact CA-OG 3.35Å; V356-S359 PolarHBondContact O-N 2.72Å; V356-S359 PolarHBondContact O-OG 3.38Å; S359-C361 PolarHBondContact O-N 2.8Å | ||
| 360 | S | 49.8 | Very low | 80.1 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 80% | 0.804 | 39% | 0.392 | S | S | * | . | trans | -71.8 | 24.8 | -171 | 61.5 | 0 | 0 | 0 | 0 | 116.5 | S358 | S358-S360 PolarHBondContact O-N 2.88Š| ||
| 361 | C | 53.6 | Low | 80.8 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 66% | 0.662 | 39% | 0.394 | S | S | * | . | trans | -75.9 | 131.1 | 173.2 | -158.2 | 0 | 0 | 0 | 0 | 110.3 | S359 S363 | S359-C361 PolarHBondContact O-N 2.8Å; C361-S363 PolarHBondContact O-N 2.8Å; C361-S363 VanDerWaalsContact O-N 3.12Å | ||
| 362 | K | 61.7 | Low | 81 | Confident | 222 Ų | 222 | 69 Ų | 69 | 97% | 0.965 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -59 | -25.1 | -176.9 | -68.1 | -171.3 | 177.7 | -173.6 | 0 | 114.5 | ||
| 363 | S | 77.7 | Confident | 80.2 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -129.2 | 126.2 | 176.3 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | C361 R365 | C361-S363 PolarHBondContact O-N 2.8Å; C361-S363 VanDerWaalsContact O-N 3.12Å; S363-R365 PolarHBondContact O-N 3.46Å |
| 364 | Y | 87 | Confident | 79 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 127.3 | 173.2 | -175.4 | -90.9 | 0 | 0 | 0 | 110.7 | A237 N242 E243 L367 | A237-Y364 HydrophobicContact CB-CE2 4.08Å; A237-Y364 WeakPolarHBondContact CB-OH 3.47Å; N242-Y364 HydrophobicContact CB-CD1 3.63Å; N242-Y364 HydrophobicContact CB-CD2 3.78Å; N242-Y364 HydrophobicContact CB-CE1 3.56Å; N242-Y364 HydrophobicContact CB-CE2 3.7Å; N242-Y364 HydrophobicContact CB-CG 3.74Å; N242-Y364 WeakPolarHBondContact ND2-CD2 3.04Å; N242-Y364 WeakPolarHBondContact O-CE1 3.32Å; E243-Y364 VanDerWaalsContact CD-OH 3.31Å; E243-Y364 HydrophobicContact CG-CE1 4.23Å; E243-Y364 WeakPolarHBondContact CG-OH 3.32Å; E243-Y364 VanDerWaalsContact OE1-CE1 3.31Å; E243-Y364 WeakPolarHBondContact OE1-CE1 3.34Å; E243-Y364 PolarHBondContact OE1-OH 3.02Å; Y364-L367 WeakPolarHBondContact OH-CG 3.49Å |
| 365 | R | 90.2 | Very high | 77.4 | Confident | 138 Ų | 138 | 77.3 Ų | 77.3 | 52% | 0.521 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 128.3 | 170.3 | -173.7 | 173.7 | -175.8 | 172.9 | 5.8 | 109.7 | S363 L367 S369 R370 | S363-R365 PolarHBondContact O-N 3.46Å; R365-L367 PolarHBondContact O-N 2.69Å; R365-S369 WeakPolarHBondContact CG-OG 3.32Å; R365-S369 PolarHBondContact NE-O 2.96Å; R365-S369 PolarHBondContact NE-OG 3.35Å; R365-S369 PolarHBondContact NH2-O 2.9Å; R365-S369 VanDerWaalsContact NH2-O 3.11Å; R365-R370 HydrophobicContact CG-CG 4.2Å; R365-R370 VanDerWaalsContact O-CZ 3.24Å; R365-R370 PolarHBondContact O-NE 3.46Å; R365-R370 PolarHBondContact O-NH2 3.3Å |
| 366 | P | 92.3 | Very high | 75.3 | Confident | 67 Ų | 67 | 77.8 Ų | 77.8 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 133.1 | 177.5 | -27.8 | 35.2 | 0 | 0 | 0 | 112.6 | E243 A368 S369 R370 | E243-P366 WeakPolarHBondContact OE1-CA 3.27Å; P366-A368 VanDerWaalsContact C-N 3.33Å; P366-A368 PolarHBondContact O-N 2.93Å; P366-S369 PolarHBondContact O-N 3.39Å; P366-S369 PolarHBondContact O-OG 3.21Å; P366-R370 WeakPolarHBondContact O-CG 3.29Å |
| 367 | L | 93.8 | Very high | 73.5 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -55.3 | -45.3 | -172.9 | -76.2 | 168.2 | 0 | 0 | 0 | 112.5 | V234 A237 E243 I252 P266 Y268 Y364 R365 S369 R370 | V234-L367 HydrophobicContact CB-CD1 4.35Å; V234-L367 HydrophobicContact CG1-CD1 3.91Å; V234-L367 HydrophobicContact CG2-CD1 4Å; A237-L367 HydrophobicContact CB-CD1 4.48Å; E243-L367 HydrophobicContact CG-CD1 4.18Å; E243-L367 WeakPolarHBondContact OE1-CG 3.47Å; E243-L367 PolarHBondContact OE1-N 3.2Å; I252-L367 HydrophobicContact CD1-CB 3.96Å; I252-L367 HydrophobicContact CG1-CB 4.4Å; I252-L367 HydrophobicContact CG1-CD1 4.03Å; P266-L367 WeakPolarHBondContact CB-O 3.46Å; Y268-L367 HydrophobicContact CD1-CD2 3.76Å; Y268-L367 HydrophobicContact CG-CD2 3.84Å; Y364-L367 WeakPolarHBondContact OH-CG 3.49Å; R365-L367 PolarHBondContact O-N 2.69Å; L367-S369 PolarHBondContact O-N 3.44Å; L367-R370 WeakPolarHBondContact O-CB 3.35Å; L367-R370 PolarHBondContact O-N 2.91Å; L367-R370 VanDerWaalsContact O-N 3.14Å |
| 368 | A | 90.8 | Very high | 72 | Confident | 34 Ų | 34 | 82.9 Ų | 82.9 | 28% | 0.281 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -59.4 | -26.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I252 H262 P366 | I252-A368 HydrophobicContact CD1-CB 4.49Å; H262-A368 WeakPolarHBondContact NE2-CB 3.44Å; P366-A368 VanDerWaalsContact C-N 3.33Å; P366-A368 PolarHBondContact O-N 2.93Å |
| 369 | S | 90.8 | Very high | 71.1 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 38% | 0.378 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -91.8 | -0.9 | -178.6 | 77 | 0 | 0 | 0 | 0 | 114.3 | R365 P366 L367 | R365-S369 WeakPolarHBondContact CG-OG 3.32Å; R365-S369 PolarHBondContact NE-O 2.96Å; R365-S369 PolarHBondContact NE-OG 3.35Å; R365-S369 PolarHBondContact NH2-O 2.9Å; R365-S369 VanDerWaalsContact NH2-O 3.11Å; P366-S369 PolarHBondContact O-N 3.39Å; P366-S369 PolarHBondContact O-OG 3.21Å; L367-S369 PolarHBondContact O-N 3.44Å |
| 370 | R | 92.5 | Very high | 70.8 | Confident | 56 Ų | 56 | 86.1 Ų | 86.1 | 21% | 0.211 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -82.5 | 150.9 | -175.4 | -60.5 | -174.9 | -172.4 | -178.4 | 2.1 | 111.2 | P266 N267 R365 P366 L367 | P266-R370 HydrophobicContact CB-CB 4.11Å; N267-R370 WeakPolarHBondContact O-CD 3.26Å; N267-R370 PolarHBondContact O-NH1 3.21Å; R365-R370 HydrophobicContact CG-CG 4.2Å; R365-R370 VanDerWaalsContact O-CZ 3.24Å; R365-R370 PolarHBondContact O-NE 3.46Å; R365-R370 PolarHBondContact O-NH2 3.3Å; P366-R370 WeakPolarHBondContact O-CG 3.29Å; L367-R370 WeakPolarHBondContact O-CB 3.35Å; L367-R370 PolarHBondContact O-N 2.91Å; L367-R370 VanDerWaalsContact O-N 3.14Å |
| 371 | P | 90 | Very high | 70.8 | Confident | 63 Ų | 63 | 87.7 Ų | 87.7 | 41% | 0.409 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 146.2 | 169.4 | -19.8 | 30.4 | 0 | 0 | 0 | 110.9 | N267 | N267-P371 VanDerWaalsContact CB-O 3.32Å; N267-P371 WeakPolarHBondContact CB-O 3.17Å; N267-P371 PolarHBondContact N-O 2.89Å |
| 372 | T | 86.9 | Confident | 70.6 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 23% | 0.227 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -85.8 | 156.7 | 175.1 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | A264 K265 R374 T375 A376 | A264-T372 HydrophobicContact CB-CG2 3.94Å; A264-T372 WeakPolarHBondContact O-CG2 3.4Å; K265-T372 VanDerWaalsContact O-CA 3.29Å; K265-T372 WeakPolarHBondContact O-CA 3.26Å; K265-T372 WeakPolarHBondContact O-CB 3.33Å; T372-R374 PolarHBondContact O-N 3.29Å; T372-R374 VanDerWaalsContact O-N 3.12Å; T372-T375 PolarHBondContact N-OG1 3.32Å; T372-T375 PolarHBondContact O-N 2.95Å; T372-T375 PolarHBondContact O-OG1 3.42Å; T372-T375 PolarHBondContact OG1-OG1 3.27Å; T372-A376 PolarHBondContact O-N 3.43Å |
| 373 | E | 70.4 | Confident | 70 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.4 | -30 | 179.7 | -71.3 | 177.9 | -167.9 | 0 | 0 | 112.8 | K265 S377 | K265-E373 IonicContact NZ-OE1 3.7Å; K265-E373 PolarHBondContact NZ-OE1 3.36Å; K265-E373 PolarHBondContact O-N 2.88Å; E373-S377 PolarHBondContact O-N 2.89Å |
| 374 | R | 60.1 | Low | 68.9 | Low | 201 Ų | 201 | 85 Ų | 85 | 76% | 0.758 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 174.6 | -72.7 | -172.6 | -178.9 | -167.3 | 0.1 | 112.8 | T372 | T372-R374 PolarHBondContact O-N 3.29Å; T372-R374 VanDerWaalsContact O-N 3.12Å |
| 375 | T | 52.2 | Low | 67.4 | Low | 63 Ų | 63 | 88.6 Ų | 88.6 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.1 | -31.9 | 177.6 | 43.9 | 0 | 0 | 0 | 0 | 112.8 | T372 S377 L378 V379 | T372-T375 PolarHBondContact N-OG1 3.32Å; T372-T375 PolarHBondContact O-N 2.95Å; T372-T375 PolarHBondContact O-OG1 3.42Å; T372-T375 PolarHBondContact OG1-OG1 3.27Å; T375-S377 VanDerWaalsContact C-N 3.32Å; T375-S377 PolarHBondContact O-N 3.45Å; T375-L378 PolarHBondContact O-N 3.05Å; T375-V379 WeakPolarHBondContact O-CG2 2.95Å; T375-V379 PolarHBondContact O-N 3.1Å |
| 376 | A | 50.2 | Low | 65.8 | Low | 28 Ų | 28 | 89.3 Ų | 89.3 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T372 V379 L380 | T372-A376 PolarHBondContact O-N 3.43Å; A376-V379 PolarHBondContact O-N 3.35Å; A376-L380 WeakPolarHBondContact O-CB 2.83Å; A376-L380 PolarHBondContact O-N 2.91Å |
| 377 | S | 49.5 | Very low | 64.1 | Low | 85 Ų | 85 | 90.3 Ų | 90.3 | 59% | 0.594 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 175 | -163.6 | 0 | 0 | 0 | 0 | 111.9 | E373 T375 F381 | E373-S377 PolarHBondContact O-N 2.89Å; T375-S377 VanDerWaalsContact C-N 3.32Å; T375-S377 PolarHBondContact O-N 3.45Å; S377-F381 VanDerWaalsContact O-CB 3.28Å; S377-F381 WeakPolarHBondContact O-CB 3.47Å; S377-F381 PolarHBondContact O-N 3.39Å |
| 378 | L | 48 | Very low | 62.5 | Low | 104 Ų | 104 | 92.9 Ų | 92.9 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.1 | -86 | 159.1 | 0 | 0 | 0 | 112.2 | T375 F381 F382 | T375-L378 PolarHBondContact O-N 3.05Å; L378-F381 PolarHBondContact O-N 3.46Å; L378-F382 HydrophobicContact CD2-CE2 4.37Å; L378-F382 WeakPolarHBondContact O-CB 3.11Å; L378-F382 VanDerWaalsContact O-CD2 3.27Å; L378-F382 WeakPolarHBondContact O-CD2 3.5Å; L378-F382 PolarHBondContact O-N 2.81Å |
| 379 | V | 50 | Low | 61.2 | Low | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 177.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | T375 A376 F382 F383 | T375-V379 WeakPolarHBondContact O-CG2 2.95Å; T375-V379 PolarHBondContact O-N 3.1Å; A376-V379 PolarHBondContact O-N 3.35Å; V379-F382 PolarHBondContact O-N 3.15Å; V379-F383 WeakPolarHBondContact O-CB 3.19Å; V379-F383 PolarHBondContact O-N 3.39Å |
| 380 | L | 49.5 | Very low | 60 | Low | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | 172.4 | -93.6 | 147.8 | 0 | 0 | 0 | 111.9 | A376 F383 C384 | A376-L380 WeakPolarHBondContact O-CB 2.83Å; A376-L380 PolarHBondContact O-N 2.91Å; L380-F383 PolarHBondContact O-N 2.93Å; L380-C384 VanDerWaalsContact O-CB 3.26Å; L380-C384 WeakPolarHBondContact O-CB 3.38Å; L380-C384 PolarHBondContact O-N 2.99Å |
| 381 | F | 49.4 | Very low | 58.8 | Low | 148 Ų | 148 | 98 Ų | 98 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | 174.8 | -153.1 | -92.8 | 0 | 0 | 0 | 110.9 | S377 L378 Y385 | S377-F381 VanDerWaalsContact O-CB 3.28Å; S377-F381 WeakPolarHBondContact O-CB 3.47Å; S377-F381 PolarHBondContact O-N 3.39Å; L378-F381 PolarHBondContact O-N 3.46Å; F381-Y385 WeakPolarHBondContact O-CA 3.38Å; F381-Y385 WeakPolarHBondContact O-CB 3.46Å; F381-Y385 PolarHBondContact O-N 2.78Å |
| 382 | F | 49.3 | Very low | 57.5 | Low | 133 Ų | 133 | 97.2 Ų | 97.2 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 173.6 | -89 | -73.7 | 0 | 0 | 0 | 111.6 | L378 V379 Y385 F386 | L378-F382 HydrophobicContact CD2-CE2 4.37Å; L378-F382 WeakPolarHBondContact O-CB 3.11Å; L378-F382 VanDerWaalsContact O-CD2 3.27Å; L378-F382 WeakPolarHBondContact O-CD2 3.5Å; L378-F382 PolarHBondContact O-N 2.81Å; V379-F382 PolarHBondContact O-N 3.15Å; F382-Y385 PolarHBondContact O-N 2.91Å; F382-F386 WeakPolarHBondContact O-CB 3.13Å; F382-F386 PolarHBondContact O-N 3.03Å |
| 383 | F | 49.7 | Very low | 56.4 | Low | 137 Ų | 137 | 98 Ų | 98 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | 178.7 | -122.9 | -91.2 | 0 | 0 | 0 | 112 | V379 L380 N387 | V379-F383 WeakPolarHBondContact O-CB 3.19Å; V379-F383 PolarHBondContact O-N 3.39Å; L380-F383 PolarHBondContact O-N 2.93Å; F383-N387 VanDerWaalsContact O-CB 3.25Å; F383-N387 WeakPolarHBondContact O-CB 3.41Å; F383-N387 PolarHBondContact O-N 2.85Å; F383-N387 PolarHBondContact O-ND2 2.83Å |
| 384 | C | 54.5 | Low | 56.1 | Low | 82 Ų | 82 | 98.2 Ų | 98.2 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 174 | -83.6 | 0 | 0 | 0 | 0 | 111.5 | L380 A388 | L380-C384 VanDerWaalsContact O-CB 3.26Å; L380-C384 WeakPolarHBondContact O-CB 3.38Å; L380-C384 PolarHBondContact O-N 2.99Å; C384-A388 WeakPolarHBondContact O-CB 3.44Å; C384-A388 PolarHBondContact O-N 3.12Å |
| 385 | Y | 55.4 | Low | 56.5 | Low | 146 Ų | 146 | 94.4 Ų | 94.4 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 177.3 | -167.5 | -94.8 | 0 | 0 | 0 | 111.1 | F381 F382 A388 C389 | F381-Y385 WeakPolarHBondContact O-CA 3.38Å; F381-Y385 WeakPolarHBondContact O-CB 3.46Å; F381-Y385 PolarHBondContact O-N 2.78Å; F382-Y385 PolarHBondContact O-N 2.91Å; Y385-A388 PolarHBondContact O-N 3.24Å; Y385-C389 WeakPolarHBondContact CE1-SG 3.48Å; Y385-C389 VanDerWaalsContact O-CB 3.25Å; Y385-C389 WeakPolarHBondContact O-CB 3.47Å; Y385-C389 PolarHBondContact O-N 2.84Å; Y385-C389 PolarHBondContact O-SG 3.15Å |
| 386 | F | 55.7 | Low | 57.1 | Low | 153 Ų | 153 | 95.1 Ų | 95.1 | 67% | 0.671 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -42.5 | 176.1 | -133.3 | -89.8 | 0 | 0 | 0 | 111.2 | F382 C389 F390 | F382-F386 WeakPolarHBondContact O-CB 3.13Å; F382-F386 PolarHBondContact O-N 3.03Å; F386-C389 PolarHBondContact O-N 2.9Å; F386-F390 WeakPolarHBondContact O-CB 3.47Å; F386-F390 PolarHBondContact O-N 2.6Å |
| 387 | N | 58.3 | Low | 57.8 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 174 | -82.6 | -32.1 | 0 | 0 | 0 | 111.6 | F383 F390 V391 | F383-N387 VanDerWaalsContact O-CB 3.25Å; F383-N387 WeakPolarHBondContact O-CB 3.41Å; F383-N387 PolarHBondContact O-N 2.85Å; F383-N387 PolarHBondContact O-ND2 2.83Å; N387-F390 PolarHBondContact O-N 3.43Å; N387-V391 WeakPolarHBondContact O-CB 3.36Å; N387-V391 WeakPolarHBondContact O-CG2 3.29Å; N387-V391 PolarHBondContact O-N 3Å |
| 388 | A | 59.8 | Low | 58.4 | Low | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C384 Y385 V391 A392 | C384-A388 WeakPolarHBondContact O-CB 3.44Å; C384-A388 PolarHBondContact O-N 3.12Å; Y385-A388 PolarHBondContact O-N 3.24Å; A388-V391 PolarHBondContact O-N 3.49Å; A388-A392 VanDerWaalsContact O-CB 3.29Å; A388-A392 WeakPolarHBondContact O-CB 3.48Å; A388-A392 PolarHBondContact O-N 3.26Å |
| 389 | C | 62.7 | Low | 59 | Low | 58 Ų | 58 | 99.7 Ų | 99.7 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 174.3 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | Y385 F386 S393 | Y385-C389 WeakPolarHBondContact CE1-SG 3.48Å; Y385-C389 VanDerWaalsContact O-CB 3.25Å; Y385-C389 WeakPolarHBondContact O-CB 3.47Å; Y385-C389 PolarHBondContact O-N 2.84Å; Y385-C389 PolarHBondContact O-SG 3.15Å; F386-C389 PolarHBondContact O-N 2.9Å; C389-S393 VanDerWaalsContact O-CB 3.22Å; C389-S393 WeakPolarHBondContact O-CB 3.32Å; C389-S393 PolarHBondContact O-N 3.25Å |
| 390 | F | 65.3 | Low | 59.7 | Low | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69 | -44.3 | 176.8 | -172.9 | -102.1 | 0 | 0 | 0 | 111 | F386 N387 S393 L394 | F386-F390 WeakPolarHBondContact O-CB 3.47Å; F386-F390 PolarHBondContact O-N 2.6Å; N387-F390 PolarHBondContact O-N 3.43Å; F390-S393 WeakPolarHBondContact O-CB 3.45Å; F390-S393 PolarHBondContact O-N 2.61Å; F390-L394 HydrophobicContact CD1-CD1 3.79Å; F390-L394 HydrophobicContact CD1-CG 4.32Å; F390-L394 HydrophobicContact CE1-CD1 3.44Å; F390-L394 VanDerWaalsContact CE1-CD1 3.44Å; F390-L394 HydrophobicContact CE1-CG 4.08Å; F390-L394 HydrophobicContact CZ-CD1 4.14Å; F390-L394 HydrophobicContact CZ-CG 4.39Å; F390-L394 WeakPolarHBondContact O-CG 3.36Å; F390-L394 PolarHBondContact O-N 3.15Å |
| 391 | V | 67.3 | Low | 60.1 | Low | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 173 | 171 | 0 | 0 | 0 | 0 | 110.5 | N387 A388 S393 L394 E395 | N387-V391 WeakPolarHBondContact O-CB 3.36Å; N387-V391 WeakPolarHBondContact O-CG2 3.29Å; N387-V391 PolarHBondContact O-N 3Å; A388-V391 PolarHBondContact O-N 3.49Å; V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.36Å; V391-L394 PolarHBondContact O-N 3.32Å; V391-L394 VanDerWaalsContact O-N 3.14Å; V391-E395 HydrophobicContact CG1-CG 4.5Å; V391-E395 WeakPolarHBondContact O-CG 3.28Å; V391-E395 PolarHBondContact O-N 3.41Å |
| 392 | A | 62.8 | Low | 60.6 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A388 T396 | A388-A392 VanDerWaalsContact O-CB 3.29Å; A388-A392 WeakPolarHBondContact O-CB 3.48Å; A388-A392 PolarHBondContact O-N 3.26Å; A392-T396 WeakPolarHBondContact O-CG2 3.28Å; A392-T396 PolarHBondContact O-N 3.14Å; A392-T396 PolarHBondContact O-OG1 3.3Å |
| 393 | S | 63.9 | Low | 61 | Low | 53 Ų | 53 | 99.1 Ų | 99.1 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | C389 F390 V391 T396 K397 | C389-S393 VanDerWaalsContact O-CB 3.22Å; C389-S393 WeakPolarHBondContact O-CB 3.32Å; C389-S393 PolarHBondContact O-N 3.25Å; F390-S393 WeakPolarHBondContact O-CB 3.45Å; F390-S393 PolarHBondContact O-N 2.61Å; V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.36Å; S393-T396 WeakPolarHBondContact CA-OG1 3.38Å; S393-T396 PolarHBondContact O-OG1 3.43Å; S393-K397 WeakPolarHBondContact O-CB 3.38Å; S393-K397 WeakPolarHBondContact O-CG 3.14Å; S393-K397 PolarHBondContact O-N 2.97Å |
| 394 | L | 65.1 | Low | 61 | Low | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 173.8 | -73.5 | 176.1 | 0 | 0 | 0 | 111.8 | F390 V391 K397 Q398 | F390-L394 HydrophobicContact CD1-CD1 3.79Å; F390-L394 HydrophobicContact CD1-CG 4.32Å; F390-L394 HydrophobicContact CE1-CD1 3.44Å; F390-L394 VanDerWaalsContact CE1-CD1 3.44Å; F390-L394 HydrophobicContact CE1-CG 4.08Å; F390-L394 HydrophobicContact CZ-CD1 4.14Å; F390-L394 HydrophobicContact CZ-CG 4.39Å; F390-L394 WeakPolarHBondContact O-CG 3.36Å; F390-L394 PolarHBondContact O-N 3.15Å; V391-L394 PolarHBondContact O-N 3.32Å; V391-L394 VanDerWaalsContact O-N 3.14Å; L394-K397 PolarHBondContact O-N 2.91Å; L394-Q398 WeakPolarHBondContact O-CB 3.38Å; L394-Q398 WeakPolarHBondContact O-CG 3.42Å; L394-Q398 PolarHBondContact O-N 3.22Å |
| 395 | E | 67.2 | Low | 61.1 | Low | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 176.4 | -73.9 | 179.4 | 168.2 | 0 | 0 | 111.7 | V391 Q398 A399 | V391-E395 HydrophobicContact CG1-CG 4.5Å; V391-E395 WeakPolarHBondContact O-CG 3.28Å; V391-E395 PolarHBondContact O-N 3.41Å; E395-Q398 PolarHBondContact O-N 3.37Å; E395-A399 VanDerWaalsContact O-CB 3.32Å; E395-A399 WeakPolarHBondContact O-CB 3.34Å; E395-A399 PolarHBondContact O-N 3.44Å |
| 396 | T | 65.7 | Low | 61.2 | Low | 78 Ų | 78 | 103 Ų | 103 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 174.9 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | A392 S393 A399 K400 | A392-T396 WeakPolarHBondContact O-CG2 3.28Å; A392-T396 PolarHBondContact O-N 3.14Å; A392-T396 PolarHBondContact O-OG1 3.3Å; S393-T396 WeakPolarHBondContact CA-OG1 3.38Å; S393-T396 PolarHBondContact O-OG1 3.43Å; T396-A399 PolarHBondContact O-N 3.4Å; T396-K400 WeakPolarHBondContact O-CB 3.45Å; T396-K400 WeakPolarHBondContact O-CG 3.14Å; T396-K400 PolarHBondContact O-N 3.47Å |
| 397 | K | 65.9 | Low | 61 | Low | 141 Ų | 141 | 104.7 Ų | 104.7 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 171.6 | -79.7 | -178.9 | -179.8 | 179.7 | 0 | 112 | S393 L394 K400 S401 | S393-K397 WeakPolarHBondContact O-CB 3.38Å; S393-K397 WeakPolarHBondContact O-CG 3.14Å; S393-K397 PolarHBondContact O-N 2.97Å; L394-K397 PolarHBondContact O-N 2.91Å; K397-K400 PolarHBondContact O-N 2.7Å; K397-S401 WeakPolarHBondContact O-CB 3.31Å; K397-S401 PolarHBondContact O-N 2.84Å |
| 398 | Q | 60.9 | Low | 60.7 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 175.1 | -77.2 | -172.7 | -5.7 | 0 | 0 | 111.9 | L394 E395 S401 K402 | L394-Q398 WeakPolarHBondContact O-CB 3.38Å; L394-Q398 WeakPolarHBondContact O-CG 3.42Å; L394-Q398 PolarHBondContact O-N 3.22Å; E395-Q398 PolarHBondContact O-N 3.37Å; Q398-S401 PolarHBondContact O-N 2.97Å; Q398-K402 WeakPolarHBondContact O-CB 3.08Å; Q398-K402 WeakPolarHBondContact O-CG 3.25Å; Q398-K402 PolarHBondContact O-N 3.14Å |
| 399 | A | 61.4 | Low | 60.5 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E395 T396 S401 K402 I403 | E395-A399 VanDerWaalsContact O-CB 3.32Å; E395-A399 WeakPolarHBondContact O-CB 3.34Å; E395-A399 PolarHBondContact O-N 3.44Å; T396-A399 PolarHBondContact O-N 3.4Å; A399-S401 PolarHBondContact O-N 2.99Å; A399-K402 PolarHBondContact O-N 3.37Å; A399-I403 VanDerWaalsContact O-CG1 3.28Å; A399-I403 WeakPolarHBondContact O-CG1 3.38Å; A399-I403 PolarHBondContact O-N 3.07Å |
| 400 | K | 64.6 | Low | 60 | Low | 153 Ų | 153 | 108.5 Ų | 108.5 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 174.7 | -74.9 | 178.3 | 179.9 | 179.9 | 0 | 112.5 | T396 K397 I403 R404 | T396-K400 WeakPolarHBondContact O-CB 3.45Å; T396-K400 WeakPolarHBondContact O-CG 3.14Å; T396-K400 PolarHBondContact O-N 3.47Å; K397-K400 PolarHBondContact O-N 2.7Å; K400-I403 PolarHBondContact O-N 2.93Å; K400-R404 WeakPolarHBondContact O-CB 3.37Å; K400-R404 PolarHBondContact O-N 3.4Å |
| 401 | S | 57 | Low | 59.7 | Low | 71 Ų | 71 | 108 Ų | 108 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.2 | -52.2 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 111 | K397 Q398 A399 I403 R404 T405 | K397-S401 WeakPolarHBondContact O-CB 3.31Å; K397-S401 PolarHBondContact O-N 2.84Å; Q398-S401 PolarHBondContact O-N 2.97Å; A399-S401 PolarHBondContact O-N 2.99Å; S401-I403 VanDerWaalsContact C-N 3.31Å; S401-I403 PolarHBondContact O-N 3.09Å; S401-R404 WeakPolarHBondContact O-CA 3.48Å; S401-R404 WeakPolarHBondContact O-CB 3.38Å; S401-R404 PolarHBondContact O-N 3.26Å; S401-T405 PolarHBondContact O-N 2.94Å; S401-T405 PolarHBondContact O-OG1 2.79Å |
| 402 | K | 60.2 | Low | 59.1 | Low | 140 Ų | 140 | 108.5 Ų | 108.5 | 61% | 0.609 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.5 | -38 | 177.9 | -74.9 | 178.1 | 179.2 | 176.9 | 0 | 112.9 | Q398 A399 T405 K406 | Q398-K402 WeakPolarHBondContact O-CB 3.08Å; Q398-K402 WeakPolarHBondContact O-CG 3.25Å; Q398-K402 PolarHBondContact O-N 3.14Å; A399-K402 PolarHBondContact O-N 3.37Å; K402-T405 PolarHBondContact O-N 2.78Å; K402-K406 WeakPolarHBondContact O-CB 3.46Å; K402-K406 PolarHBondContact O-N 3.39Å |
| 403 | I | 57.9 | Low | 58.7 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 56% | 0.559 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 174.2 | -68.5 | 164.9 | 0 | 0 | 0 | 110.5 | A399 K400 S401 K406 R407 | A399-I403 VanDerWaalsContact O-CG1 3.28Å; A399-I403 WeakPolarHBondContact O-CG1 3.38Å; A399-I403 PolarHBondContact O-N 3.07Å; K400-I403 PolarHBondContact O-N 2.93Å; S401-I403 VanDerWaalsContact C-N 3.31Å; S401-I403 PolarHBondContact O-N 3.09Å; I403-K406 PolarHBondContact O-N 2.71Å; I403-R407 PolarHBondContact O-N 3.31Å |
| 404 | R | 49.3 | Very low | 58.1 | Low | 204 Ų | 204 | 113 Ų | 113 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.2 | -41.8 | 177 | -164.1 | 175.2 | -178.9 | 170.7 | -0.6 | 111.5 | K400 S401 R407 S408 | K400-R404 WeakPolarHBondContact O-CB 3.37Å; K400-R404 PolarHBondContact O-N 3.4Å; S401-R404 WeakPolarHBondContact O-CA 3.48Å; S401-R404 WeakPolarHBondContact O-CB 3.38Å; S401-R404 PolarHBondContact O-N 3.26Å; R404-R407 PolarHBondContact O-N 3.22Å; R404-S408 PolarHBondContact O-N 3.42Å; R404-S408 PolarHBondContact O-OG 2.98Å |
| 405 | T | 57 | Low | 57.6 | Low | 77 Ų | 77 | 113 Ų | 113 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.6 | -39.2 | 176.8 | -20.3 | 0 | 0 | 0 | 0 | 112.4 | S401 K402 S408 R409 | S401-T405 PolarHBondContact O-N 2.94Å; S401-T405 PolarHBondContact O-OG1 2.79Å; K402-T405 PolarHBondContact O-N 2.78Å; T405-S408 VanDerWaalsContact CA-OG 3.29Å; T405-S408 WeakPolarHBondContact CA-OG 3.25Å; T405-S408 PolarHBondContact O-N 2.9Å; T405-S408 PolarHBondContact O-OG 3.29Å; T405-R409 PolarHBondContact O-N 2.94Å |
| 406 | K | 57.1 | Low | 56.7 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -42.2 | 173.8 | -83.5 | -172.2 | 174.2 | -173 | 0 | 111.9 | K402 I403 R409 A410 | K402-K406 WeakPolarHBondContact O-CB 3.46Å; K402-K406 PolarHBondContact O-N 3.39Å; I403-K406 PolarHBondContact O-N 2.71Å; K406-R409 PolarHBondContact O-N 3.35Å; K406-A410 WeakPolarHBondContact O-CB 3.31Å; K406-A410 PolarHBondContact O-N 3.5Å |
| 407 | R | 51.9 | Low | 55.9 | Low | 189 Ų | 189 | 119.8 Ų | 119.8 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -42.9 | 176.5 | -121.2 | 179.8 | 177.3 | -179.7 | -1.4 | 111.9 | I403 R404 A410 I411 | I403-R407 PolarHBondContact O-N 3.31Å; R404-R407 PolarHBondContact O-N 3.22Å; R407-A410 PolarHBondContact O-N 2.73Å; R407-I411 WeakPolarHBondContact O-CD1 3.33Å; R407-I411 VanDerWaalsContact O-CG1 3.22Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; R407-I411 PolarHBondContact O-N 3.16Å |
| 408 | S | 50.8 | Low | 54.9 | Low | 60 Ų | 60 | 121.6 Ų | 121.6 | 42% | 0.42 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.4 | -35.1 | 175.8 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | R404 T405 C412 | R404-S408 PolarHBondContact O-N 3.42Å; R404-S408 PolarHBondContact O-OG 2.98Å; T405-S408 VanDerWaalsContact CA-OG 3.29Å; T405-S408 WeakPolarHBondContact CA-OG 3.25Å; T405-S408 PolarHBondContact O-N 2.9Å; T405-S408 PolarHBondContact O-OG 3.29Å; S408-C412 WeakPolarHBondContact O-CB 3.03Å; S408-C412 PolarHBondContact O-N 2.81Å |
| 409 | R | 55.7 | Low | 54 | Low | 181 Ų | 181 | 125.9 Ų | 125.9 | 68% | 0.683 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.5 | -45.3 | 172.7 | -102.8 | -174.7 | -180 | 165.2 | -0.5 | 112.1 | T405 K406 I411 C412 E413 | T405-R409 PolarHBondContact O-N 2.94Å; K406-R409 PolarHBondContact O-N 3.35Å; R409-I411 VanDerWaalsContact C-N 3.33Å; R409-I411 PolarHBondContact O-N 3.34Å; R409-C412 PolarHBondContact O-N 2.72Å; R409-E413 WeakPolarHBondContact O-CB 3.22Å; R409-E413 WeakPolarHBondContact O-CG 3.37Å; R409-E413 PolarHBondContact O-N 3.4Å |
| 410 | A | 53.9 | Low | 53.7 | Low | 43 Ų | 43 | 129.8 Ų | 129.8 | 36% | 0.355 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K406 R407 C412 E413 D414 | K406-A410 WeakPolarHBondContact O-CB 3.31Å; K406-A410 PolarHBondContact O-N 3.5Å; R407-A410 PolarHBondContact O-N 2.73Å; A410-C412 PolarHBondContact O-N 2.9Å; A410-E413 PolarHBondContact O-N 2.97Å; A410-D414 PolarHBondContact O-N 3.14Å |
| 411 | I | 57.3 | Low | 53.1 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 176.3 | -65.8 | 163.6 | 0 | 0 | 0 | 111.4 | R407 R409 V415 | R407-I411 WeakPolarHBondContact O-CD1 3.33Å; R407-I411 VanDerWaalsContact O-CG1 3.22Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; R407-I411 PolarHBondContact O-N 3.16Å; R409-I411 VanDerWaalsContact C-N 3.33Å; R409-I411 PolarHBondContact O-N 3.34Å; I411-V415 VanDerWaalsContact O-CG2 3.27Å; I411-V415 WeakPolarHBondContact O-CG2 2.94Å; I411-V415 PolarHBondContact O-N 2.87Å; I411-V415 VanDerWaalsContact O-N 3.14Å |
| 412 | C | 55 | Low | 52.9 | Low | 84 Ų | 84 | 131.8 Ų | 131.8 | 57% | 0.568 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.5 | -38.5 | 175 | -91.7 | 0 | 0 | 0 | 0 | 112.8 | S408 R409 A410 Q416 | S408-C412 WeakPolarHBondContact O-CB 3.03Å; S408-C412 PolarHBondContact O-N 2.81Å; R409-C412 PolarHBondContact O-N 2.72Å; A410-C412 PolarHBondContact O-N 2.9Å; C412-Q416 WeakPolarHBondContact O-CG 3.48Å; C412-Q416 PolarHBondContact O-N 3.24Å; C412-Q416 VanDerWaalsContact O-N 3.12Å |
| 413 | E | 55.2 | Low | 52.4 | Low | 96 Ų | 96 | 131.3 Ų | 131.3 | 45% | 0.449 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.5 | -34.6 | 178.7 | -74.9 | 172.3 | -163.1 | 0 | 0 | 112 | R409 A410 Q416 R417 | R409-E413 WeakPolarHBondContact O-CB 3.22Å; R409-E413 WeakPolarHBondContact O-CG 3.37Å; R409-E413 PolarHBondContact O-N 3.4Å; A410-E413 PolarHBondContact O-N 2.97Å; E413-Q416 PolarHBondContact O-N 2.66Å; E413-R417 WeakPolarHBondContact O-CG 3.38Å; E413-R417 PolarHBondContact O-N 3.23Å |
| 414 | D | 50.5 | Low | 52.1 | Low | 99 Ų | 99 | 132.7 Ų | 132.7 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -41.9 | 174.9 | -74.1 | -22.5 | 0 | 0 | 0 | 111.4 | A410 Q416 R417 E418 | A410-D414 PolarHBondContact O-N 3.14Å; D414-Q416 VanDerWaalsContact C-N 3.27Å; D414-Q416 PolarHBondContact O-N 3.09Å; D414-R417 PolarHBondContact O-N 2.87Å; D414-R417 VanDerWaalsContact O-N 3.12Å; D414-E418 PolarHBondContact O-N 2.97Å |
| 415 | V | 55.7 | Low | 52.3 | Low | 82 Ų | 82 | 127.9 Ų | 127.9 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.6 | -30.4 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | I411 R417 | I411-V415 VanDerWaalsContact O-CG2 3.27Å; I411-V415 WeakPolarHBondContact O-CG2 2.94Å; I411-V415 PolarHBondContact O-N 2.87Å; I411-V415 VanDerWaalsContact O-N 3.14Å; V415-R417 VanDerWaalsContact C-N 3.35Å |
| 416 | Q | 48.1 | Very low | 51.9 | Low | 145 Ų | 145 | 131.6 Ų | 131.6 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -13.2 | 175.1 | -77.9 | -172.9 | -34.9 | 0 | 0 | 114.3 | C412 E413 D414 | C412-Q416 WeakPolarHBondContact O-CG 3.48Å; C412-Q416 PolarHBondContact O-N 3.24Å; C412-Q416 VanDerWaalsContact O-N 3.12Å; E413-Q416 PolarHBondContact O-N 2.66Å; D414-Q416 VanDerWaalsContact C-N 3.27Å; D414-Q416 PolarHBondContact O-N 3.09Å |
| 417 | R | 47.8 | Very low | 51.5 | Low | 196 Ų | 196 | 129 Ų | 129 | 74% | 0.74 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -18.6 | 174.1 | -73.4 | -177.3 | -160.3 | -165.4 | 7.7 | 113.4 | E413 D414 V415 | E413-R417 WeakPolarHBondContact O-CG 3.38Å; E413-R417 PolarHBondContact O-N 3.23Å; D414-R417 PolarHBondContact O-N 2.87Å; D414-R417 VanDerWaalsContact O-N 3.12Å; V415-R417 VanDerWaalsContact C-N 3.35Å |
| 418 | E | 45.5 | Very low | 51.5 | Low | 180 Ų | 180 | 124 Ų | 124 | 84% | 0.841 | 61% | 0.609 | S | S | * | * | trans | -89.9 | -8.5 | 176.3 | -72 | -173.4 | 163.3 | 0 | 0 | 113.6 | D414 | D414-E418 PolarHBondContact O-N 2.97Š| ||
| 419 | Q | 42.6 | Very low | 51.6 | Low | 214 Ų | 214 | 129.8 Ų | 129.8 | 100% | 1 | 63% | 0.627 | S | S | * | * | trans | -97.5 | 0 | 167.9 | -68.3 | -172.4 | -14.4 | 0 | 0 | 110.5 |
Retrieved 419 of 419 residues in 1011 ms
(Link to these results)