| 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 | 95.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 22.6 Ų | 22.6 | 24% | 0.241 | 11% | 0.112 | C | C | . | . | 0 | 139.8 | 0 | 177.7 | 178.1 | -167.4 | 0 | 0 | 108.7 | F3 L59 F63 Y94 V99 | M1-F3 HydrophobicContact CB-CD2 4.37Å; M1-F3 HydrophobicContact CB-CE2 4.02Å; M1-F3 HydrophobicContact CG-CD2 4.22Å; M1-F3 HydrophobicContact CG-CE2 3.93Å; M1-F3 WeakPolarHBondContact O-CD2 3.38Å; M1-F3 HydrophobicContact SD-CE2 3.91Å; M1-L59 PolarHBondContact N-O 3.16Å; M1-L59 PolarHBondContact O-N 3.28Å; M1-F63 HydrophobicContact CB-CB 4.47Å; M1-F63 HydrophobicContact CB-CD1 3.78Å; M1-F63 HydrophobicContact CB-CD2 3.91Å; M1-F63 HydrophobicContact CB-CE1 3.89Å; M1-F63 HydrophobicContact CB-CE2 4.06Å; M1-F63 HydrophobicContact CB-CG 3.8Å; M1-F63 HydrophobicContact CB-CZ 4.05Å; M1-F63 HydrophobicContact CG-CD2 4.44Å; M1-F63 HydrophobicContact CG-CE2 4.35Å; M1-F63 HydrophobicContact SD-CD2 3.72Å; M1-F63 HydrophobicContact SD-CE2 3.33Å; M1-F63 WeakPolarHBondContact SD-CE2 3.43Å; M1-F63 HydrophobicContact SD-CZ 3.86Å; M1-Y94 HydrophobicContact CE-CE2 4.36Å; M1-Y94 HydrophobicContact SD-CE2 3.86Å; M1-V99 HydrophobicContact CE-CG1 4.16Å; M1-V99 HydrophobicContact CE-CG2 3.75Å | |||
| 2 | L | 98.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 30.1 Ų | 30.1 | 30% | 0.304 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126 | 177.3 | -165.6 | 67.5 | 0 | 0 | 0 | 110.9 | E56 E58 V103 Y104 | L2-E56 HydrophobicContact CD1-CB 4.09Å; L2-E56 HydrophobicContact CG-CB 4.43Å; L2-E58 HydrophobicContact CD1-CB 4.37Å; L2-V103 HydrophobicContact CB-CG1 4.28Å; L2-V103 HydrophobicContact CB-CG2 4.49Å; L2-V103 HydrophobicContact CD2-CG1 4.15Å; L2-V103 HydrophobicContact CD2-CG2 3.93Å; L2-V103 HydrophobicContact CG-CG1 4.14Å; L2-Y104 PolarHBondContact O-N 3.42Å |
| 3 | F | 98.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132 | 175.9 | -83.2 | -122.7 | 0 | 0 | 0 | 109.4 | M1 F5 E56 V57 L59 F63 Y94 Y104 | M1-F3 HydrophobicContact CB-CD2 4.37Å; M1-F3 HydrophobicContact CB-CE2 4.02Å; M1-F3 HydrophobicContact CG-CD2 4.22Å; M1-F3 HydrophobicContact CG-CE2 3.93Å; M1-F3 WeakPolarHBondContact O-CD2 3.38Å; M1-F3 HydrophobicContact SD-CE2 3.91Å; F3-F5 HydrophobicContact CB-CD2 4.49Å; F3-F5 HydrophobicContact CB-CE2 3.74Å; F3-F5 HydrophobicContact CB-CZ 4.28Å; F3-F5 HydrophobicContact CD1-CE2 4.46Å; F3-F5 HydrophobicContact CD1-CZ 4.16Å; F3-E56 CarbonylContact O-C 3.37Å; F3-E56 VanDerWaalsContact O-CA 3.24Å; F3-E56 WeakPolarHBondContact O-CA 3.45Å; F3-V57 HydrophobicContact CB-CG1 3.98Å; F3-V57 PolarHBondContact N-O 3.12Å; F3-V57 PolarHBondContact O-N 2.84Å; F3-L59 HydrophobicContact CB-CD1 4.26Å; F3-L59 HydrophobicContact CB-CG 4.37Å; F3-L59 HydrophobicContact CD1-CD1 3.74Å; F3-L59 HydrophobicContact CD2-CB 4.23Å; F3-L59 HydrophobicContact CD2-CD1 3.69Å; F3-L59 HydrophobicContact CD2-CG 3.92Å; F3-L59 HydrophobicContact CE1-CD1 3.92Å; F3-L59 HydrophobicContact CE2-CB 4.38Å; F3-L59 HydrophobicContact CE2-CD1 3.88Å; F3-L59 HydrophobicContact CE2-CG 4.38Å; F3-L59 HydrophobicContact CG-CD1 3.62Å; F3-L59 HydrophobicContact CG-CG 4.08Å; F3-L59 HydrophobicContact CZ-CD1 3.98Å; F3-F63 HydrophobicContact CE2-CB 4.23Å; F3-F63 HydrophobicContact CE2-CD2 4.05Å; F3-F63 HydrophobicContact CE2-CG 4.43Å; F3-F63 HydrophobicContact CZ-CD2 4.24Å; F3-F63 WeakPolarHBondContact CZ-O 3.44Å; F3-Y94 AromaticContact CZ-CD2 3.94Å; F3-Y94 HydrophobicContact CZ-CD2 3.94Å; F3-Y94 HydrophobicContact CZ-CE2 4.28Å; F3-Y104 CarbonylContact C-O 3.6Å; F3-Y104 WeakPolarHBondContact CA-O 3.47Å; F3-Y104 AromaticContact CD1-CD1 3.22Å; F3-Y104 HydrophobicContact CD1-CD1 3.22Å; F3-Y104 AromaticContact CD1-CE1 3.89Å; F3-Y104 HydrophobicContact CD1-CE1 3.89Å; F3-Y104 AromaticContact CD1-CG 3.81Å; F3-Y104 HydrophobicContact CD1-CG 3.81Å; F3-Y104 AromaticContact CE1-CD1 3.29Å; F3-Y104 HydrophobicContact CE1-CD1 3.29Å; F3-Y104 HydrophobicContact CE1-CD2 4.3Å; F3-Y104 AromaticContact CE1-CE1 3.72Å; F3-Y104 HydrophobicContact CE1-CE1 3.72Å; F3-Y104 AromaticContact CE1-CG 3.62Å; F3-Y104 HydrophobicContact CE1-CG 3.62Å; F3-Y104 HydrophobicContact CE2-CG 4.34Å; F3-Y104 AromaticContact CG-CD1 3.96Å; F3-Y104 HydrophobicContact CG-CD1 3.96Å; F3-Y104 HydrophobicContact CG-CG 4.26Å; F3-Y104 HydrophobicContact CZ-CD1 4.07Å; F3-Y104 HydrophobicContact CZ-CD2 4.4Å; F3-Y104 AromaticContact CZ-CG 3.91Å; F3-Y104 HydrophobicContact CZ-CG 3.91Å |
| 4 | R | 98.8 | Very high | 95 | Very high | 67 Ų | 67 | 33.4 Ų | 33.4 | 25% | 0.253 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.3 | 173.4 | -173 | -179.9 | -69.2 | 149.9 | -2.1 | 109.6 | G55 E56 V103 Y104 H106 Y277 | R4-G55 CarbonylContact C-O 3.55Å; R4-G55 WeakPolarHBondContact CA-O 3.02Å; R4-E56 HydrophobicContact CB-CG 4.13Å; R4-E56 HydrophobicContact CG-CG 4.05Å; R4-E56 IonicContact CZ-OE1 3.64Å; R4-E56 IonicContact NE-OE1 3.08Å; R4-E56 PolarHBondContact NE-OE1 2.9Å; R4-E56 IonicContact NH2-OE1 2.71Å; R4-E56 PolarHBondContact NH2-OE1 3.01Å; R4-V103 HydrophobicContact CB-CG1 4.03Å; R4-Y104 PolarHBondContact N-O 2.86Å; R4-H106 PolarHBondContact O-N 3.01Å; R4-Y277 VanDerWaalsContact CD-CE1 3.43Å; R4-Y277 HydrophobicContact CG-CE1 3.74Å; R4-Y277 PolarHBondContact O-OH 3.05Å |
| 5 | F | 98.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.5 | 173.9 | -63.5 | -89.9 | 0 | 0 | 0 | 109.5 | F3 V20 M27 M38 T54 G55 V57 L67 F69 F71 H106 | F3-F5 HydrophobicContact CB-CD2 4.49Å; F3-F5 HydrophobicContact CB-CE2 3.74Å; F3-F5 HydrophobicContact CB-CZ 4.28Å; F3-F5 HydrophobicContact CD1-CE2 4.46Å; F3-F5 HydrophobicContact CD1-CZ 4.16Å; F5-V20 HydrophobicContact CB-CG2 4.19Å; F5-V20 HydrophobicContact CG-CG2 4.22Å; F5-M27 HydrophobicContact CD2-CE 4.43Å; F5-M27 HydrophobicContact CE2-CE 3.99Å; F5-M27 HydrophobicContact CE2-SD 4.39Å; F5-M27 HydrophobicContact CZ-CE 4.1Å; F5-M27 HydrophobicContact CZ-SD 4.38Å; F5-M38 WeakPolarHBondContact O-CE 3.17Å; F5-T54 CarbonylContact O-C 3.51Å; F5-T54 VanDerWaalsContact O-CA 3.25Å; F5-T54 WeakPolarHBondContact O-CA 3.45Å; F5-G55 PolarHBondContact N-O 3.03Å; F5-G55 PolarHBondContact O-N 2.95Å; F5-V57 HydrophobicContact CD2-CG1 4.21Å; F5-V57 HydrophobicContact CE2-CG1 3.65Å; F5-L67 HydrophobicContact CZ-CD1 4.32Å; F5-F69 HydrophobicContact CD1-CD1 4.48Å; F5-F69 AromaticContact CD1-CD2 3.99Å; F5-F69 HydrophobicContact CD1-CD2 3.99Å; F5-F69 HydrophobicContact CD1-CE1 4.2Å; F5-F69 AromaticContact CD1-CE2 3.67Å; F5-F69 HydrophobicContact CD1-CE2 3.67Å; F5-F69 HydrophobicContact CD1-CG 4.38Å; F5-F69 AromaticContact CD1-CZ 3.78Å; F5-F69 HydrophobicContact CD1-CZ 3.78Å; F5-F69 AromaticContact CE1-CD1 3.98Å; F5-F69 HydrophobicContact CE1-CD1 3.98Å; F5-F69 HydrophobicContact CE1-CD2 4.21Å; F5-F69 AromaticContact CE1-CE1 3.9Å; F5-F69 HydrophobicContact CE1-CE1 3.9Å; F5-F69 HydrophobicContact CE1-CE2 4.13Å; F5-F69 HydrophobicContact CE1-CG 4.13Å; F5-F69 AromaticContact CE1-CZ 3.97Å; F5-F69 HydrophobicContact CE1-CZ 3.97Å; F5-F71 HydrophobicContact CB-CE1 4.08Å; F5-F71 HydrophobicContact CB-CZ 4.27Å; F5-H106 HydrophobicContact CD1-CB 3.75Å; F5-H106 HydrophobicContact CE1-CB 3.98Å |
| 6 | G | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W53 I108 G109 Y277 | G6-W53 CarbonylContact C-O 3.48Å; G6-W53 WeakPolarHBondContact CA-O 3.47Å; G6-I108 WeakPolarHBondContact O-CA 3.21Å; G6-G109 PolarHBondContact O-N 3.22Å; G6-Y277 PolarHBondContact N-OH 2.88Å |
| 7 | V | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.4 | 175 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | L9 V18 M38 W53 F71 G109 W111 | V7-L9 HydrophobicContact CG1-CD2 4.03Å; V7-L9 HydrophobicContact CG2-CD2 4.36Å; V7-V18 HydrophobicContact CG1-CG1 3.79Å; V7-M38 HydrophobicContact CG1-CE 4.16Å; V7-M38 HydrophobicContact CG1-SD 4.17Å; V7-W53 HydrophobicContact CG1-CB 4.11Å; V7-W53 PolarHBondContact N-O 3.36Å; V7-W53 PolarHBondContact O-N 3.03Å; V7-F71 HydrophobicContact CB-CD1 3.98Å; V7-F71 HydrophobicContact CB-CD2 3.59Å; V7-F71 HydrophobicContact CB-CE1 3.98Å; V7-F71 HydrophobicContact CB-CE2 3.6Å; V7-F71 HydrophobicContact CB-CG 3.78Å; V7-F71 HydrophobicContact CB-CZ 3.78Å; V7-F71 HydrophobicContact CG1-CB 4.35Å; V7-F71 HydrophobicContact CG1-CD1 3.81Å; V7-F71 HydrophobicContact CG1-CD2 4.19Å; V7-F71 HydrophobicContact CG1-CE1 4.12Å; V7-F71 HydrophobicContact CG1-CE2 4.48Å; V7-F71 HydrophobicContact CG1-CG 3.84Å; V7-F71 HydrophobicContact CG1-CZ 4.44Å; V7-F71 HydrophobicContact CG2-CD2 3.61Å; V7-F71 HydrophobicContact CG2-CE2 3.93Å; V7-F71 HydrophobicContact CG2-CG 4.03Å; V7-G109 CarbonylContact C-O 3.57Å; V7-G109 VanDerWaalsContact CA-O 3.28Å; V7-G109 WeakPolarHBondContact CA-O 3.48Å; V7-W111 HydrophobicContact CG2-CB 4.39Å |
| 8 | I | 98.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.4 | 172.2 | -64.6 | 168.9 | 0 | 0 | 0 | 109.3 | P50 C51 L52 I108 G109 H110 W111 A280 | I8-P50 HydrophobicContact CG2-CB 3.87Å; I8-C51 WeakPolarHBondContact CA-O 3.48Å; I8-L52 HydrophobicContact CG1-CB 4.19Å; I8-L52 HydrophobicContact CG1-CD1 3.82Å; I8-I108 HydrophobicContact CD1-CG2 3.73Å; I8-I108 HydrophobicContact CG1-CG2 3.75Å; I8-G109 PolarHBondContact N-O 2.95Å; I8-H110 WeakPolarHBondContact O-CA 3.27Å; I8-W111 PolarHBondContact O-N 3.42Å; I8-A280 HydrophobicContact CD1-CB 4.3Å |
| 9 | L | 95.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 164.3 | 168 | 61.7 | 145.9 | 0 | 0 | 0 | 111 | V7 V18 P50 C51 W53 K73 W111 | V7-L9 HydrophobicContact CG1-CD2 4.03Å; V7-L9 HydrophobicContact CG2-CD2 4.36Å; L9-V18 HydrophobicContact CD2-CG2 4.17Å; L9-P50 WeakPolarHBondContact O-CA 3.47Å; L9-C51 PolarHBondContact N-O 3.45Å; L9-C51 PolarHBondContact O-N 3.03Å; L9-W53 HydrophobicContact CD1-CZ3 4.47Å; L9-W53 HydrophobicContact CD2-CD2 4.27Å; L9-W53 HydrophobicContact CD2-CE3 3.49Å; L9-W53 VanDerWaalsContact CD2-CE3 3.49Å; L9-W53 HydrophobicContact CD2-CH2 4.37Å; L9-W53 HydrophobicContact CD2-CZ3 3.55Å; L9-W53 HydrophobicContact CG-CE3 4.04Å; L9-W53 HydrophobicContact CG-CH2 4.09Å; L9-W53 HydrophobicContact CG-CZ3 3.53Å; L9-W53 WeakPolarHBondContact O-CZ3 3.18Å; L9-K73 HydrophobicContact CD1-CD 3.76Å; L9-K73 HydrophobicContact CD1-CG 4.44Å; L9-W111 HydrophobicContact CB-CB 3.75Å; L9-W111 HydrophobicContact CB-CG 4.4Å; L9-W111 HydrophobicContact CD2-CE3 4.46Å |
| 10 | T | 93.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 29% | 0.288 | 18% | 0.18 | S | C | . | . | trans | -91.7 | 117.2 | 164.5 | -53.2 | 0 | 0 | 0 | 0 | 107.4 | P47 | T10-P47 VanDerWaalsContact CG2-O 3.25Å; T10-P47 WeakPolarHBondContact CG2-O 3.2Å | ||
| 11 | P | 90.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | trans | -72 | 151.6 | -175.9 | 32.3 | -36 | 0 | 0 | 0 | 111.2 | S13 V16 P45 S46 P47 W53 | P11-S13 VanDerWaalsContact C-N 3.28Å; P11-V16 HydrophobicContact CB-CB 4.47Å; P11-V16 HydrophobicContact CB-CG1 3.4Å; P11-P45 HydrophobicContact CB-CB 4.39Å; P11-P45 HydrophobicContact CG-CB 3.8Å; P11-S46 WeakPolarHBondContact CD-O 3.45Å; P11-S46 VanDerWaalsContact CG-O 3.26Å; P11-S46 WeakPolarHBondContact CG-O 3.43Å; P11-P47 WeakPolarHBondContact O-CA 3.46Å; P11-P47 WeakPolarHBondContact O-CB 3.34Å; P11-W53 HydrophobicContact CB-CH2 3.83Å; P11-W53 HydrophobicContact CB-CZ2 4.22Å; P11-W53 HydrophobicContact CG-CH2 3.99Å | ||
| 12 | E | 89.3 | Confident | 95.2 | Very high | 112 Ų | 112 | 30 Ų | 30 | 52% | 0.523 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -73.9 | -24.6 | 173.5 | -62.9 | 85.2 | 169.2 | 0 | 0 | 112.5 | P47 K73 | E12-P47 WeakPolarHBondContact O-CG 3.29Å; E12-K73 IonicContact OE1-NZ 3.63Å; E12-K73 PolarHBondContact OE1-NZ 2.95Å; E12-K73 IonicContact OE2-NZ 3.98Å |
| 13 | S | 88.6 | Confident | 95.2 | Very high | 41 Ų | 41 | 28.6 Ų | 28.6 | 29% | 0.287 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -160.7 | 166.4 | -175.7 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | P11 D15 V16 | P11-S13 VanDerWaalsContact C-N 3.28Å; S13-D15 VanDerWaalsContact C-N 3.27Å; S13-D15 WeakPolarHBondContact CB-OD1 3.38Å; S13-D15 PolarHBondContact O-N 2.92Å; S13-D15 PolarHBondContact OG-OD1 3Å; S13-V16 WeakPolarHBondContact O-CG1 3.3Å |
| 14 | S | 87.6 | Confident | 95.2 | Very high | 65 Ų | 65 | 30.5 Ų | 30.5 | 46% | 0.455 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.8 | -178.3 | 55 | 0 | 0 | 0 | 0 | 114.3 | P45 | S14-P45 WeakPolarHBondContact CA-O 3.33Å; S14-P45 VanDerWaalsContact CB-O 3.27Å; S14-P45 WeakPolarHBondContact CB-O 3.49Å |
| 15 | D | 87.8 | Confident | 95.1 | Very high | 117 Ų | 117 | 35.4 Ų | 35.4 | 63% | 0.626 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.3 | 179.5 | 64.4 | -37.8 | 0 | 0 | 0 | 113.5 | S13 E17 | S13-D15 VanDerWaalsContact C-N 3.27Å; S13-D15 WeakPolarHBondContact CB-OD1 3.38Å; S13-D15 PolarHBondContact O-N 2.92Å; S13-D15 PolarHBondContact OG-OD1 3Å; D15-E17 PolarHBondContact O-N 2.83Å |
| 16 | V | 91.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | trans | -61.2 | 128.4 | 178.9 | 73.2 | 0 | 0 | 0 | 0 | 111.2 | P11 S13 W53 K73 | P11-V16 HydrophobicContact CB-CB 4.47Å; P11-V16 HydrophobicContact CB-CG1 3.4Å; S13-V16 WeakPolarHBondContact O-CG1 3.3Å; V16-W53 HydrophobicContact CG1-CH2 4.49Å; V16-W53 HydrophobicContact CG1-CZ2 3.85Å; V16-K73 HydrophobicContact CG2-CB 4.17Å; V16-K73 HydrophobicContact CG2-CD 3.89Å; V16-K73 HydrophobicContact CG2-CG 3.97Å | ||
| 17 | E | 94.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 38 Ų | 38 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.1 | 171.6 | -65.6 | -170.7 | -116.4 | 0 | 0 | 109.2 | D15 R37 K73 K74 | D15-E17 PolarHBondContact O-N 2.83Å; E17-R37 IonicContact OE2-CZ 2.59Å; E17-R37 IonicContact OE2-NE 3.05Å; E17-R37 PolarHBondContact OE2-NE 3.41Å; E17-R37 IonicContact OE2-NH1 2.83Å; E17-R37 IonicContact OE2-NH2 3.29Å; E17-R37 PolarHBondContact OE2-NH2 3.1Å; E17-R37 VanDerWaalsContact OE2-NH2 3.13Å; E17-K73 CarbonylContact O-C 3.54Å; E17-K73 VanDerWaalsContact O-CA 3.25Å; E17-K73 WeakPolarHBondContact O-CA 3.48Å; E17-K74 HydrophobicContact CB-CB 4.15Å; E17-K74 PolarHBondContact O-N 3.37Å |
| 18 | V | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | V7 L9 M38 W53 I72 K73 | V7-V18 HydrophobicContact CG1-CG1 3.79Å; L9-V18 HydrophobicContact CD2-CG2 4.17Å; V18-M38 HydrophobicContact CB-CB 4.48Å; V18-M38 HydrophobicContact CG1-SD 3.76Å; V18-M38 WeakPolarHBondContact O-CA 3.31Å; V18-M38 VanDerWaalsContact O-CB 3.26Å; V18-M38 WeakPolarHBondContact O-CB 3.33Å; V18-M38 PolarHBondContact O-N 3.28Å; V18-W53 HydrophobicContact CB-CB 4.12Å; V18-W53 HydrophobicContact CB-CD2 4.24Å; V18-W53 HydrophobicContact CB-CG 3.72Å; V18-W53 HydrophobicContact CG1-CB 4.21Å; V18-W53 HydrophobicContact CG1-CG 4.27Å; V18-W53 HydrophobicContact CG2-CB 4.48Å; V18-W53 HydrophobicContact CG2-CD2 3.66Å; V18-W53 HydrophobicContact CG2-CE3 4.35Å; V18-W53 HydrophobicContact CG2-CG 3.69Å; V18-W53 HydrophobicContact CG2-CZ2 4.2Å; V18-I72 WeakPolarHBondContact CA-O 3.29Å; V18-K73 HydrophobicContact CG2-CG 4.38Å |
| 19 | L | 98.3 | Very high | 95 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.1 | 179 | -49.2 | 91.2 | 0 | 0 | 0 | 109.9 | A35 V36 F71 I72 K74 | L19-A35 HydrophobicContact CB-CB 3.8Å; L19-A35 HydrophobicContact CD2-CB 3.91Å; L19-A35 HydrophobicContact CG-CB 4.49Å; L19-V36 CarbonylContact C-O 3.48Å; L19-V36 VanDerWaalsContact CA-O 3.23Å; L19-V36 WeakPolarHBondContact CA-O 3.26Å; L19-V36 WeakPolarHBondContact CB-O 3.39Å; L19-F71 WeakPolarHBondContact O-CA 3.45Å; L19-I72 HydrophobicContact CB-CD1 4.17Å; L19-I72 HydrophobicContact CB-CG1 3.73Å; L19-I72 HydrophobicContact CD1-CD1 4.22Å; L19-I72 HydrophobicContact CD1-CG1 4.04Å; L19-I72 HydrophobicContact CG-CG1 4.46Å; L19-I72 PolarHBondContact N-O 3.43Å; L19-I72 PolarHBondContact O-N 3.06Å; L19-K74 HydrophobicContact CD1-CB 3.9Å |
| 20 | V | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.8 | 171.8 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | F5 M27 V36 M38 F69 F71 | F5-V20 HydrophobicContact CB-CG2 4.19Å; F5-V20 HydrophobicContact CG-CG2 4.22Å; V20-M27 HydrophobicContact CG2-CE 3.74Å; V20-V36 HydrophobicContact CG1-CB 3.89Å; V20-V36 HydrophobicContact CG1-CG1 4.41Å; V20-V36 PolarHBondContact N-O 2.85Å; V20-V36 PolarHBondContact O-N 3.13Å; V20-M38 HydrophobicContact CB-CG 4.36Å; V20-M38 HydrophobicContact CB-SD 3.95Å; V20-M38 HydrophobicContact CG1-CG 4.22Å; V20-M38 HydrophobicContact CG1-SD 4.36Å; V20-F69 HydrophobicContact CG2-CD2 3.85Å; V20-F71 HydrophobicContact CB-CD1 3.83Å; V20-F71 HydrophobicContact CB-CE1 3.9Å; V20-F71 HydrophobicContact CG2-CD1 3.87Å; V20-F71 HydrophobicContact CG2-CE1 3.69Å |
| 21 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 168 | 178.4 | 72.7 | 124.7 | 0 | 0 | 0 | 110.3 | M27 W30 A35 F69 K70 I72 W81 | L21-M27 VanDerWaalsContact CA-O 3.28Å; L21-M27 WeakPolarHBondContact CA-O 3.44Å; L21-M27 VanDerWaalsContact CB-O 3.26Å; L21-M27 WeakPolarHBondContact CB-O 3.37Å; L21-W30 VanDerWaalsContact CD1-CA 3.5Å; L21-W30 HydrophobicContact CD1-CB 4.5Å; L21-W30 HydrophobicContact CD1-CE3 3.74Å; L21-W30 HydrophobicContact CD1-CZ3 4.46Å; L21-A35 HydrophobicContact CB-CB 3.73Å; L21-A35 HydrophobicContact CD2-CB 4.1Å; L21-F69 CarbonylContact O-C 3.5Å; L21-F69 WeakPolarHBondContact O-CA 3.46Å; L21-F69 WeakPolarHBondContact O-CB 3.33Å; L21-K70 PolarHBondContact N-O 3.44Å; L21-K70 PolarHBondContact O-N 2.96Å; L21-I72 HydrophobicContact CD2-CB 4.08Å; L21-I72 HydrophobicContact CD2-CD1 3.53Å; L21-I72 HydrophobicContact CD2-CG1 3.6Å; L21-I72 HydrophobicContact CD2-CG2 3.35Å; L21-W81 HydrophobicContact CD1-CH2 3.53Å; L21-W81 HydrophobicContact CD1-CZ2 4.45Å; L21-W81 HydrophobicContact CD1-CZ3 3.78Å; L21-W81 HydrophobicContact CD2-CH2 4.31Å; L21-W81 HydrophobicContact CD2-CZ3 4.2Å; L21-W81 HydrophobicContact CG-CH2 4.43Å; L21-W81 HydrophobicContact CG-CZ3 4.32Å |
| 22 | G | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | -164.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R24 M27 H29 W30 W68 | G22-R24 PolarHBondContact O-N 2.72Å; G22-M27 PolarHBondContact N-O 2.94Å; G22-H29 CarbonylContact O-C 3.54Å; G22-H29 WeakPolarHBondContact O-CA 3.49Å; G22-H29 PolarHBondContact O-N 2.96Å; G22-W30 PolarHBondContact O-N 3.11Å; G22-W68 CarbonylContact C-O 3.57Å; G22-W68 WeakPolarHBondContact CA-O 3.19Å |
| 23 | S | 98.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -68.7 | -15.3 | -175.8 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | H29 W68 | S23-H29 PolarHBondContact O-ND1 3.22Å; S23-W68 PolarHBondContact N-O 3.5Å; S23-W68 PolarHBondContact OG-N 3.05Å; S23-W68 VanDerWaalsContact OG-N 3.11Å; S23-W68 PolarHBondContact OG-O 3.21Å |
| 24 | R | 98 | Very high | 96.2 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -81.9 | 144.1 | 179.6 | -68.6 | -57.9 | -63.1 | -138.8 | -7.6 | 111.1 | G22 E26 M27 G28 H29 L59 A60 P62 L67 | G22-R24 PolarHBondContact O-N 2.72Å; R24-E26 WeakPolarHBondContact CB-OE2 3.37Å; R24-E26 IonicContact CZ-OE1 3.81Å; R24-E26 IonicContact CZ-OE2 3.99Å; R24-E26 IonicContact NE-OE1 3.24Å; R24-E26 IonicContact NE-OE2 3.27Å; R24-E26 PolarHBondContact NE-OE2 2.84Å; R24-E26 IonicContact NH2-OE1 3.96Å; R24-E26 PolarHBondContact NH2-OE1 3.38Å; R24-E26 IonicContact NH2-OE2 3.76Å; R24-E26 PolarHBondContact O-N 3.23Å; R24-M27 HydrophobicContact CB-CB 4.23Å; R24-M27 HydrophobicContact CB-CG 3.99Å; R24-M27 HydrophobicContact CB-SD 4.13Å; R24-M27 HydrophobicContact CG-SD 4.43Å; R24-M27 CarbonylContact O-C 3.57Å; R24-M27 WeakPolarHBondContact O-CA 3.49Å; R24-M27 PolarHBondContact O-N 3.23Å; R24-G28 PolarHBondContact O-N 3.02Å; R24-H29 PolarHBondContact O-N 3.45Å; R24-L59 HydrophobicContact CB-CD2 4.34Å; R24-L59 HydrophobicContact CG-CD2 4.33Å; R24-A60 PolarHBondContact NH2-O 2.9Å; R24-P62 PolarHBondContact NH1-O 3.05Å; R24-L67 HydrophobicContact CG-CB 3.87Å; R24-L67 HydrophobicContact CG-CD2 3.87Å; R24-L67 HydrophobicContact CG-CG 4.42Å |
| 25 | E | 97.5 | Very high | 96.7 | Very high | 170 Ų | 170 | 47.9 Ų | 47.9 | 79% | 0.794 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -59.9 | -40.5 | 177.2 | -176.5 | -179.3 | 175.4 | 0 | 0 | 110.8 | M27 G28 | E25-M27 PolarHBondContact O-N 2.93Å; E25-G28 PolarHBondContact O-N 2.94Å |
| 26 | E | 98 | Very high | 97.2 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -63.5 | -14.3 | 177.4 | -48.9 | 95.5 | 133.7 | 0 | 0 | 112.7 | R24 V57 L59 A60 | R24-E26 WeakPolarHBondContact CB-OE2 3.37Å; R24-E26 IonicContact CZ-OE1 3.81Å; R24-E26 IonicContact CZ-OE2 3.99Å; R24-E26 IonicContact NE-OE1 3.24Å; R24-E26 IonicContact NE-OE2 3.27Å; R24-E26 PolarHBondContact NE-OE2 2.84Å; R24-E26 IonicContact NH2-OE1 3.96Å; R24-E26 PolarHBondContact NH2-OE1 3.38Å; R24-E26 IonicContact NH2-OE2 3.76Å; R24-E26 PolarHBondContact O-N 3.23Å; E26-V57 HydrophobicContact CB-CG2 3.81Å; E26-V57 WeakPolarHBondContact O-CG2 3.39Å; E26-L59 HydrophobicContact CB-CD2 4.03Å; E26-L59 HydrophobicContact CG-CD2 4.44Å; E26-A60 WeakPolarHBondContact OE1-CB 3.41Å; E26-A60 PolarHBondContact OE1-N 3.18Å |
| 27 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -112.9 | 18.5 | 177.8 | -56.9 | -179 | 73.6 | 0 | 0 | 112.1 | F5 V20 L21 G22 R24 E25 H29 V57 L59 L67 F69 | F5-M27 HydrophobicContact CD2-CE 4.43Å; F5-M27 HydrophobicContact CE2-CE 3.99Å; F5-M27 HydrophobicContact CE2-SD 4.39Å; F5-M27 HydrophobicContact CZ-CE 4.1Å; F5-M27 HydrophobicContact CZ-SD 4.38Å; V20-M27 HydrophobicContact CG2-CE 3.74Å; L21-M27 VanDerWaalsContact CA-O 3.28Å; L21-M27 WeakPolarHBondContact CA-O 3.44Å; L21-M27 VanDerWaalsContact CB-O 3.26Å; L21-M27 WeakPolarHBondContact CB-O 3.37Å; G22-M27 PolarHBondContact N-O 2.94Å; R24-M27 HydrophobicContact CB-CB 4.23Å; R24-M27 HydrophobicContact CB-CG 3.99Å; R24-M27 HydrophobicContact CB-SD 4.13Å; R24-M27 HydrophobicContact CG-SD 4.43Å; R24-M27 CarbonylContact O-C 3.57Å; R24-M27 WeakPolarHBondContact O-CA 3.49Å; R24-M27 PolarHBondContact O-N 3.23Å; E25-M27 PolarHBondContact O-N 2.93Å; M27-H29 VanDerWaalsContact C-N 3.35Å; M27-H29 PolarHBondContact O-N 2.95Å; M27-V57 HydrophobicContact CG-CG1 4.27Å; M27-V57 HydrophobicContact CG-CG2 4.09Å; M27-V57 HydrophobicContact SD-CG1 4.48Å; M27-L59 HydrophobicContact CG-CD2 4.38Å; M27-L67 HydrophobicContact SD-CD1 4.26Å; M27-F69 HydrophobicContact CE-CB 3.81Å |
| 28 | G | 97.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R24 E25 W30 D31 G34 | R24-G28 PolarHBondContact O-N 3.02Å; E25-G28 PolarHBondContact O-N 2.94Å; G28-W30 VanDerWaalsContact C-N 3.31Å; G28-W30 PolarHBondContact O-N 3.08Å; G28-D31 VanDerWaalsContact O-CB 3.27Å; G28-D31 WeakPolarHBondContact O-CB 3.45Å; G28-D31 PolarHBondContact O-N 3.26Å; G28-G34 WeakPolarHBondContact CA-O 3.45Å; G28-G34 PolarHBondContact N-O 2.99Å |
| 29 | H | 97.7 | Very high | 97.7 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 51.3 | 179.3 | -160.4 | 80.1 | 0 | 0 | 0 | 113.4 | G22 S23 R24 M27 D31 | G22-H29 CarbonylContact O-C 3.54Å; G22-H29 WeakPolarHBondContact O-CA 3.49Å; G22-H29 PolarHBondContact O-N 2.96Å; S23-H29 PolarHBondContact O-ND1 3.22Å; R24-H29 PolarHBondContact O-N 3.45Å; M27-H29 VanDerWaalsContact C-N 3.35Å; M27-H29 PolarHBondContact O-N 2.95Å; H29-D31 VanDerWaalsContact C-N 3.25Å; H29-D31 PolarHBondContact O-N 2.59Å |
| 30 | W | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 56.7 Ų | 56.7 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 3.8 | -175.8 | -53.8 | 111.6 | 0 | 0 | 0 | 117.3 | L21 G22 G28 P32 W68 K70 W81 D89 | L21-W30 VanDerWaalsContact CD1-CA 3.5Å; L21-W30 HydrophobicContact CD1-CB 4.5Å; L21-W30 HydrophobicContact CD1-CE3 3.74Å; L21-W30 HydrophobicContact CD1-CZ3 4.46Å; G22-W30 PolarHBondContact O-N 3.11Å; G28-W30 VanDerWaalsContact C-N 3.31Å; G28-W30 PolarHBondContact O-N 3.08Å; W30-P32 WeakPolarHBondContact O-CD 3.32Å; W30-W68 HydrophobicContact CH2-CB 4.15Å; W30-W68 HydrophobicContact CZ2-CB 3.71Å; W30-K70 HydrophobicContact CZ3-CB 4.14Å; W30-K70 HydrophobicContact CZ3-CG 4.2Å; W30-W81 HydrophobicContact CE3-CH2 4.2Å; W30-W81 AromaticContact CE3-CZ3 3.86Å; W30-W81 HydrophobicContact CE3-CZ3 3.86Å; W30-W81 HydrophobicContact CZ3-CZ3 4.16Å; W30-D89 HydrophobicContact CH2-CB 4.25Å |
| 31 | D | 97.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | trans | -84.7 | 116.7 | 169 | -176 | -2.9 | 0 | 0 | 0 | 111.1 | G28 H29 N33 G34 A35 | G28-D31 VanDerWaalsContact O-CB 3.27Å; G28-D31 WeakPolarHBondContact O-CB 3.45Å; G28-D31 PolarHBondContact O-N 3.26Å; H29-D31 VanDerWaalsContact C-N 3.25Å; H29-D31 PolarHBondContact O-N 2.59Å; D31-N33 PolarHBondContact O-N 2.94Å; D31-N33 VanDerWaalsContact O-N 3.13Å; D31-N33 WeakPolarHBondContact OD1-CB 3.38Å; D31-N33 PolarHBondContact OD1-N 2.9Å; D31-N33 PolarHBondContact OD1-ND2 2.92Å; D31-G34 PolarHBondContact O-N 3.36Å; D31-A35 PolarHBondContact O-N 2.93Å | ||
| 32 | P | 96.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -56.3 | -26.1 | 175.7 | -27.5 | 37.3 | 0 | 0 | 0 | 114.8 | W30 G34 A35 I72 F79 W81 | W30-P32 WeakPolarHBondContact O-CD 3.32Å; P32-G34 VanDerWaalsContact C-N 3.29Å; P32-A35 VanDerWaalsContact O-CB 3.23Å; P32-A35 WeakPolarHBondContact O-CB 3.36Å; P32-A35 PolarHBondContact O-N 3.22Å; P32-I72 HydrophobicContact CB-CD1 3.9Å; P32-F79 HydrophobicContact CB-CB 4.41Å; P32-F79 HydrophobicContact CB-CD1 3.98Å; P32-F79 HydrophobicContact CB-CD2 3.55Å; P32-F79 HydrophobicContact CB-CE1 4.01Å; P32-F79 HydrophobicContact CB-CE2 3.62Å; P32-F79 HydrophobicContact CB-CG 3.72Å; P32-F79 HydrophobicContact CB-CZ 3.83Å; P32-F79 HydrophobicContact CG-CD2 4.19Å; P32-F79 HydrophobicContact CG-CG 4.39Å; P32-W81 HydrophobicContact CG-CZ2 3.66Å |
| 33 | N | 95 | Very high | 96.5 | Very high | 132 Ų | 132 | 71 Ų | 71 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -74.6 | -22.2 | 177.9 | -59.1 | -67 | 0 | 0 | 0 | 112.6 | D31 | D31-N33 PolarHBondContact O-N 2.94Å; D31-N33 VanDerWaalsContact O-N 3.13Å; D31-N33 WeakPolarHBondContact OD1-CB 3.38Å; D31-N33 PolarHBondContact OD1-N 2.9Å; D31-N33 PolarHBondContact OD1-ND2 2.92Å |
| 34 | G | 96.3 | Very high | 96 | Very high | 36 Ų | 36 | 75.7 Ų | 75.7 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -93.3 | 4.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G28 D31 P32 | G28-G34 WeakPolarHBondContact CA-O 3.45Å; G28-G34 PolarHBondContact N-O 2.99Å; D31-G34 PolarHBondContact O-N 3.36Å; P32-G34 VanDerWaalsContact C-N 3.29Å |
| 35 | A | 97.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 74.1 Ų | 74.1 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 145.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L19 L21 D31 P32 R37 I72 | L19-A35 HydrophobicContact CB-CB 3.8Å; L19-A35 HydrophobicContact CD2-CB 3.91Å; L19-A35 HydrophobicContact CG-CB 4.49Å; L21-A35 HydrophobicContact CB-CB 3.73Å; L21-A35 HydrophobicContact CD2-CB 4.1Å; D31-A35 PolarHBondContact O-N 2.93Å; P32-A35 VanDerWaalsContact O-CB 3.23Å; P32-A35 WeakPolarHBondContact O-CB 3.36Å; P32-A35 PolarHBondContact O-N 3.22Å; A35-R37 PolarHBondContact O-N 3.42Å; A35-I72 HydrophobicContact CB-CD1 4.04Å |
| 36 | V | 98.2 | Very high | 95 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 17% | 0.17 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.3 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L19 V20 M38 E56 V57 | L19-V36 CarbonylContact C-O 3.48Å; L19-V36 VanDerWaalsContact CA-O 3.23Å; L19-V36 WeakPolarHBondContact CA-O 3.26Å; L19-V36 WeakPolarHBondContact CB-O 3.39Å; V20-V36 HydrophobicContact CG1-CB 3.89Å; V20-V36 HydrophobicContact CG1-CG1 4.41Å; V20-V36 PolarHBondContact N-O 2.85Å; V20-V36 PolarHBondContact O-N 3.13Å; V36-M38 PolarHBondContact O-N 3.1Å; V36-E56 WeakPolarHBondContact CG1-O 3.45Å; V36-V57 HydrophobicContact CG2-CB 4.3Å; V36-V57 HydrophobicContact CG2-CG2 4.14Å |
| 37 | R | 97.7 | Very high | 94.5 | Very high | 172 Ų | 172 | 68.1 Ų | 68.1 | 65% | 0.649 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 133 | 177.4 | -172.9 | 176.2 | -176.2 | 170.2 | 8.7 | 111.3 | E17 A35 | E17-R37 IonicContact OE2-CZ 2.59Å; E17-R37 IonicContact OE2-NE 3.05Å; E17-R37 PolarHBondContact OE2-NE 3.41Å; E17-R37 IonicContact OE2-NH1 2.83Å; E17-R37 IonicContact OE2-NH2 3.29Å; E17-R37 PolarHBondContact OE2-NH2 3.1Å; E17-R37 VanDerWaalsContact OE2-NH2 3.13Å; A35-R37 PolarHBondContact O-N 3.42Å |
| 38 | M | 98.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 154.6 | 178.1 | -53.8 | -179.5 | 78.7 | 0 | 0 | 111.6 | F5 V7 V18 V20 V36 W53 T54 F71 | F5-M38 WeakPolarHBondContact O-CE 3.17Å; V7-M38 HydrophobicContact CG1-CE 4.16Å; V7-M38 HydrophobicContact CG1-SD 4.17Å; V18-M38 HydrophobicContact CB-CB 4.48Å; V18-M38 HydrophobicContact CG1-SD 3.76Å; V18-M38 WeakPolarHBondContact O-CA 3.31Å; V18-M38 VanDerWaalsContact O-CB 3.26Å; V18-M38 WeakPolarHBondContact O-CB 3.33Å; V18-M38 PolarHBondContact O-N 3.28Å; V20-M38 HydrophobicContact CB-CG 4.36Å; V20-M38 HydrophobicContact CB-SD 3.95Å; V20-M38 HydrophobicContact CG1-CG 4.22Å; V20-M38 HydrophobicContact CG1-SD 4.36Å; V36-M38 PolarHBondContact O-N 3.1Å; M38-W53 HydrophobicContact CB-CB 3.94Å; M38-W53 HydrophobicContact CE-CB 4.23Å; M38-W53 WeakPolarHBondContact CE-O 3.39Å; M38-W53 HydrophobicContact SD-CB 4.36Å; M38-T54 CarbonylContact C-O 3.58Å; M38-T54 WeakPolarHBondContact CA-O 3.29Å; M38-F71 HydrophobicContact CE-CD1 3.99Å; M38-F71 HydrophobicContact CE-CE1 3.56Å; M38-F71 HydrophobicContact SD-CD1 3.54Å; M38-F71 VanDerWaalsContact SD-CD1 3.54Å; M38-F71 HydrophobicContact SD-CE1 3.75Å |
| 39 | K | 97.3 | Very high | 93.4 | Very high | 162 Ų | 162 | 74.3 Ų | 74.3 | 70% | 0.704 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.6 | 178.1 | -175.6 | 178.8 | 177.8 | -178.4 | 0 | 110.7 | W53 T54 | K39-W53 CarbonylContact O-C 3.57Å; K39-W53 WeakPolarHBondContact O-CA 3.29Å; K39-T54 PolarHBondContact N-O 3.01Å; K39-T54 PolarHBondContact O-N 3.04Å |
| 40 | A | 97.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 69 Ų | 69 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 143.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q42 P45 L52 W53 | A40-Q42 VanDerWaalsContact C-N 3.28Å; A40-Q42 WeakPolarHBondContact CB-O 3.25Å; A40-P45 HydrophobicContact CB-CG 3.8Å; A40-L52 CarbonylContact C-O 3.58Å; A40-L52 WeakPolarHBondContact CA-O 3.14Å; A40-W53 HydrophobicContact CB-CD2 4.5Å; A40-W53 HydrophobicContact CB-CZ2 4.48Å |
| 41 | S | 95.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -71 | -27.9 | 172.9 | 64 | 0 | 0 | 0 | 0 | 112 | L52 S281 | S41-L52 PolarHBondContact N-O 3.22Å; S41-L52 PolarHBondContact OG-N 3.25Å; S41-L52 PolarHBondContact OG-O 3.27Å; S41-S281 WeakPolarHBondContact CB-O 3.2Å |
| 42 | Q | 90.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -93.9 | 143.2 | 175.3 | -60.2 | -177.6 | -19.7 | 0 | 0 | 110.8 | A40 L44 E49 C51 | A40-Q42 VanDerWaalsContact C-N 3.28Å; A40-Q42 WeakPolarHBondContact CB-O 3.25Å; Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.02Å; Q42-E49 PolarHBondContact NE2-OE1 3.37Å; Q42-E49 PolarHBondContact OE1-OE1 3.28Å; Q42-C51 HydrophobicContact CG-CB 4.45Å |
| 43 | K | 86 | Confident | 93.2 | Very high | 219 Ų | 219 | 61.1 Ų | 61.1 | 95% | 0.952 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -64.9 | -36 | 177.1 | -71.5 | -175.2 | 178.4 | -179.6 | 0 | 112.5 | ||
| 44 | L | 87.9 | Confident | 93.4 | Very high | 126 Ų | 126 | 56.7 Ų | 56.7 | 66% | 0.66 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -135.2 | 94.4 | 178.7 | -169.2 | 72.2 | 0 | 0 | 0 | 107.4 | Q42 | Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.02Å |
| 45 | P | 87.6 | Confident | 93.5 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | trans | -57.4 | 141.3 | 175.4 | -22 | 33.4 | 0 | 0 | 0 | 110.1 | P11 S14 A40 C51 W53 | P11-P45 HydrophobicContact CB-CB 4.39Å; P11-P45 HydrophobicContact CG-CB 3.8Å; S14-P45 WeakPolarHBondContact CA-O 3.33Å; S14-P45 VanDerWaalsContact CB-O 3.27Å; S14-P45 WeakPolarHBondContact CB-O 3.49Å; A40-P45 HydrophobicContact CB-CG 3.8Å; P45-C51 HydrophobicContact CB-CB 4.46Å; P45-W53 HydrophobicContact CB-CH2 4.31Å; P45-W53 HydrophobicContact CB-CZ2 3.99Å; P45-W53 HydrophobicContact CG-CZ2 4.02Å | ||
| 46 | S | 86.5 | Confident | 93.5 | Very high | 33 Ų | 33 | 58.7 Ų | 58.7 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | trans | -120 | 142.6 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | P11 D48 E49 | P11-S46 WeakPolarHBondContact CD-O 3.45Å; P11-S46 VanDerWaalsContact CG-O 3.26Å; P11-S46 WeakPolarHBondContact CG-O 3.43Å; S46-D48 PolarHBondContact O-N 2.68Å; S46-D48 VanDerWaalsContact OG-CB 3.31Å; S46-D48 WeakPolarHBondContact OG-CB 3.4Å; S46-D48 PolarHBondContact OG-N 2.53Å; S46-E49 PolarHBondContact O-N 3.27Å | ||
| 47 | P | 87.6 | Confident | 93.5 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -5.5 | 171.6 | -19.4 | 32.4 | 0 | 0 | 0 | 114.7 | T10 P11 E12 | T10-P47 VanDerWaalsContact CG2-O 3.25Å; T10-P47 WeakPolarHBondContact CG2-O 3.2Å; P11-P47 WeakPolarHBondContact O-CA 3.46Å; P11-P47 WeakPolarHBondContact O-CB 3.34Å; E12-P47 WeakPolarHBondContact O-CG 3.29Å |
| 48 | D | 84.9 | Confident | 93.5 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -16.3 | -172.8 | -74.2 | -18.9 | 0 | 0 | 0 | 114.2 | S46 K130 | S46-D48 PolarHBondContact O-N 2.68Å; S46-D48 VanDerWaalsContact OG-CB 3.31Å; S46-D48 WeakPolarHBondContact OG-CB 3.4Å; S46-D48 PolarHBondContact OG-N 2.53Å; D48-K130 IonicContact OD1-NZ 3.23Å; D48-K130 PolarHBondContact OD1-NZ 3.22Å; D48-K130 IonicContact OD2-NZ 3.1Å; D48-K130 PolarHBondContact OD2-NZ 2.68Å |
| 49 | E | 87.4 | Confident | 93.5 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -147.7 | 150.5 | -176.7 | 56 | 175.6 | -173.7 | 0 | 0 | 111.9 | Q42 S46 H138 | Q42-E49 PolarHBondContact NE2-OE1 3.37Å; Q42-E49 PolarHBondContact OE1-OE1 3.28Å; S46-E49 PolarHBondContact O-N 3.27Å; E49-H138 IonicContact OE2-CE1 3.39Å; E49-H138 IonicContact OE2-NE2 2.65Å; E49-H138 PolarHBondContact OE2-NE2 3.18Å |
| 50 | P | 94.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | trans | -64.6 | 147.3 | 172.7 | 27.6 | -34.2 | 0 | 0 | 0 | 110.5 | I8 L9 P284 A285 | I8-P50 HydrophobicContact CG2-CB 3.87Å; L9-P50 WeakPolarHBondContact O-CA 3.47Å; P50-P284 HydrophobicContact CB-CB 4.36Å; P50-P284 HydrophobicContact CG-CB 4.49Å; P50-P284 VanDerWaalsContact O-CB 3.31Å; P50-P284 WeakPolarHBondContact O-CB 3.44Å; P50-P284 WeakPolarHBondContact O-CG 3.48Å; P50-A285 HydrophobicContact CG-CB 3.61Å | ||
| 51 | C | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.2 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | I8 L9 Q42 P45 W53 | I8-C51 WeakPolarHBondContact CA-O 3.48Å; L9-C51 PolarHBondContact N-O 3.45Å; L9-C51 PolarHBondContact O-N 3.03Å; Q42-C51 HydrophobicContact CG-CB 4.45Å; P45-C51 HydrophobicContact CB-CB 4.46Å; C51-W53 VanDerWaalsContact C-CZ3 3.43Å; C51-W53 HydrophobicContact CB-CE3 4.19Å; C51-W53 HydrophobicContact CB-CH2 3.45Å; C51-W53 VanDerWaalsContact CB-CH2 3.45Å; C51-W53 HydrophobicContact CB-CZ2 4.22Å; C51-W53 HydrophobicContact CB-CZ3 3.43Å; C51-W53 VanDerWaalsContact CB-CZ3 3.43Å; C51-W53 VanDerWaalsContact O-CE3 3.24Å; C51-W53 WeakPolarHBondContact O-CZ3 3.24Å |
| 52 | L | 98.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.5 | 173.3 | 170.4 | 67.4 | 0 | 0 | 0 | 108.2 | I8 A40 S41 T54 I108 A280 P284 | I8-L52 HydrophobicContact CG1-CB 4.19Å; I8-L52 HydrophobicContact CG1-CD1 3.82Å; A40-L52 CarbonylContact C-O 3.58Å; A40-L52 WeakPolarHBondContact CA-O 3.14Å; S41-L52 PolarHBondContact N-O 3.22Å; S41-L52 PolarHBondContact OG-N 3.25Å; S41-L52 PolarHBondContact OG-O 3.27Å; L52-T54 HydrophobicContact CD1-CG2 4.26Å; L52-T54 HydrophobicContact CD2-CG2 4.01Å; L52-T54 HydrophobicContact CG-CG2 3.99Å; L52-I108 HydrophobicContact CD1-CD1 3.87Å; L52-I108 HydrophobicContact CD1-CG1 4.19Å; L52-I108 HydrophobicContact CD1-CG2 3.74Å; L52-I108 HydrophobicContact CD2-CD1 4.02Å; L52-A280 HydrophobicContact CD2-CB 4.07Å; L52-P284 HydrophobicContact CB-CB 4.42Å; L52-P284 HydrophobicContact CB-CG 4.46Å |
| 53 | W | 98.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.019 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.5 | 165.7 | -74.3 | -104.8 | 0 | 0 | 0 | 109.5 | G6 V7 L9 P11 V16 V18 M38 K39 A40 P45 C51 | G6-W53 CarbonylContact C-O 3.48Å; G6-W53 WeakPolarHBondContact CA-O 3.47Å; V7-W53 HydrophobicContact CG1-CB 4.11Å; V7-W53 PolarHBondContact N-O 3.36Å; V7-W53 PolarHBondContact O-N 3.03Å; L9-W53 HydrophobicContact CD1-CZ3 4.47Å; L9-W53 HydrophobicContact CD2-CD2 4.27Å; L9-W53 HydrophobicContact CD2-CE3 3.49Å; L9-W53 VanDerWaalsContact CD2-CE3 3.49Å; L9-W53 HydrophobicContact CD2-CH2 4.37Å; L9-W53 HydrophobicContact CD2-CZ3 3.55Å; L9-W53 HydrophobicContact CG-CE3 4.04Å; L9-W53 HydrophobicContact CG-CH2 4.09Å; L9-W53 HydrophobicContact CG-CZ3 3.53Å; L9-W53 WeakPolarHBondContact O-CZ3 3.18Å; P11-W53 HydrophobicContact CB-CH2 3.83Å; P11-W53 HydrophobicContact CB-CZ2 4.22Å; P11-W53 HydrophobicContact CG-CH2 3.99Å; V16-W53 HydrophobicContact CG1-CH2 4.49Å; V16-W53 HydrophobicContact CG1-CZ2 3.85Å; V18-W53 HydrophobicContact CB-CB 4.12Å; V18-W53 HydrophobicContact CB-CD2 4.24Å; V18-W53 HydrophobicContact CB-CG 3.72Å; V18-W53 HydrophobicContact CG1-CB 4.21Å; V18-W53 HydrophobicContact CG1-CG 4.27Å; V18-W53 HydrophobicContact CG2-CB 4.48Å; V18-W53 HydrophobicContact CG2-CD2 3.66Å; V18-W53 HydrophobicContact CG2-CE3 4.35Å; V18-W53 HydrophobicContact CG2-CG 3.69Å; V18-W53 HydrophobicContact CG2-CZ2 4.2Å; M38-W53 HydrophobicContact CB-CB 3.94Å; M38-W53 HydrophobicContact CE-CB 4.23Å; M38-W53 WeakPolarHBondContact CE-O 3.39Å; M38-W53 HydrophobicContact SD-CB 4.36Å; K39-W53 CarbonylContact O-C 3.57Å; K39-W53 WeakPolarHBondContact O-CA 3.29Å; A40-W53 HydrophobicContact CB-CD2 4.5Å; A40-W53 HydrophobicContact CB-CZ2 4.48Å; P45-W53 HydrophobicContact CB-CH2 4.31Å; P45-W53 HydrophobicContact CB-CZ2 3.99Å; P45-W53 HydrophobicContact CG-CZ2 4.02Å; C51-W53 VanDerWaalsContact C-CZ3 3.43Å; C51-W53 HydrophobicContact CB-CE3 4.19Å; C51-W53 HydrophobicContact CB-CH2 3.45Å; C51-W53 VanDerWaalsContact CB-CH2 3.45Å; C51-W53 HydrophobicContact CB-CZ2 4.22Å; C51-W53 HydrophobicContact CB-CZ3 3.43Å; C51-W53 VanDerWaalsContact CB-CZ3 3.43Å; C51-W53 VanDerWaalsContact O-CE3 3.24Å; C51-W53 WeakPolarHBondContact O-CZ3 3.24Å |
| 54 | T | 98.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.6 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | F5 M38 K39 L52 Y277 | F5-T54 CarbonylContact O-C 3.51Å; F5-T54 VanDerWaalsContact O-CA 3.25Å; F5-T54 WeakPolarHBondContact O-CA 3.45Å; M38-T54 CarbonylContact C-O 3.58Å; M38-T54 WeakPolarHBondContact CA-O 3.29Å; K39-T54 PolarHBondContact N-O 3.01Å; K39-T54 PolarHBondContact O-N 3.04Å; L52-T54 HydrophobicContact CD1-CG2 4.26Å; L52-T54 HydrophobicContact CD2-CG2 4.01Å; L52-T54 HydrophobicContact CG-CG2 3.99Å; T54-Y277 HydrophobicContact CG2-CD1 4.19Å; T54-Y277 HydrophobicContact CG2-CE1 3.91Å |
| 55 | G | 98.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | R4 F5 | R4-G55 CarbonylContact C-O 3.55Å; R4-G55 WeakPolarHBondContact CA-O 3.02Å; F5-G55 PolarHBondContact N-O 3.03Å; F5-G55 PolarHBondContact O-N 2.95Å |
| 56 | E | 98.3 | Very high | 95 | Very high | 89 Ų | 89 | 53.5 Ų | 53.5 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.6 | 179.2 | -67.3 | 178 | -178.9 | 0 | 0 | 110.1 | L2 F3 R4 V36 | L2-E56 HydrophobicContact CD1-CB 4.09Å; L2-E56 HydrophobicContact CG-CB 4.43Å; F3-E56 CarbonylContact O-C 3.37Å; F3-E56 VanDerWaalsContact O-CA 3.24Å; F3-E56 WeakPolarHBondContact O-CA 3.45Å; R4-E56 HydrophobicContact CB-CG 4.13Å; R4-E56 HydrophobicContact CG-CG 4.05Å; R4-E56 IonicContact CZ-OE1 3.64Å; R4-E56 IonicContact NE-OE1 3.08Å; R4-E56 PolarHBondContact NE-OE1 2.9Å; R4-E56 IonicContact NH2-OE1 2.71Å; R4-E56 PolarHBondContact NH2-OE1 3.01Å; V36-E56 WeakPolarHBondContact CG1-O 3.45Å |
| 57 | V | 97.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.9 | 178.3 | 67.4 | 0 | 0 | 0 | 0 | 109.2 | F3 F5 E26 M27 V36 L59 | F3-V57 HydrophobicContact CB-CG1 3.98Å; F3-V57 PolarHBondContact N-O 3.12Å; F3-V57 PolarHBondContact O-N 2.84Å; F5-V57 HydrophobicContact CD2-CG1 4.21Å; F5-V57 HydrophobicContact CE2-CG1 3.65Å; E26-V57 HydrophobicContact CB-CG2 3.81Å; E26-V57 WeakPolarHBondContact O-CG2 3.39Å; M27-V57 HydrophobicContact CG-CG1 4.27Å; M27-V57 HydrophobicContact CG-CG2 4.09Å; M27-V57 HydrophobicContact SD-CG1 4.48Å; V36-V57 HydrophobicContact CG2-CB 4.3Å; V36-V57 HydrophobicContact CG2-CG2 4.14Å; V57-L59 HydrophobicContact CG1-CD2 3.77Å; V57-L59 HydrophobicContact CG1-CG 4.12Å; V57-L59 HydrophobicContact CG2-CD2 4.02Å |
| 58 | E | 98.3 | Very high | 96 | Very high | 147 Ų | 147 | 54.1 Ų | 54.1 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.5 | 172.9 | -175.7 | 163.7 | -154.3 | 0 | 0 | 109.2 | L2 | L2-E58 HydrophobicContact CD1-CB 4.37Å |
| 59 | L | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 131.9 | 179 | -59.1 | -174 | 0 | 0 | 0 | 111.1 | M1 F3 R24 E26 M27 V57 F63 L67 | M1-L59 PolarHBondContact N-O 3.16Å; M1-L59 PolarHBondContact O-N 3.28Å; F3-L59 HydrophobicContact CB-CD1 4.26Å; F3-L59 HydrophobicContact CB-CG 4.37Å; F3-L59 HydrophobicContact CD1-CD1 3.74Å; F3-L59 HydrophobicContact CD2-CB 4.23Å; F3-L59 HydrophobicContact CD2-CD1 3.69Å; F3-L59 HydrophobicContact CD2-CG 3.92Å; F3-L59 HydrophobicContact CE1-CD1 3.92Å; F3-L59 HydrophobicContact CE2-CB 4.38Å; F3-L59 HydrophobicContact CE2-CD1 3.88Å; F3-L59 HydrophobicContact CE2-CG 4.38Å; F3-L59 HydrophobicContact CG-CD1 3.62Å; F3-L59 HydrophobicContact CG-CG 4.08Å; F3-L59 HydrophobicContact CZ-CD1 3.98Å; R24-L59 HydrophobicContact CB-CD2 4.34Å; R24-L59 HydrophobicContact CG-CD2 4.33Å; E26-L59 HydrophobicContact CB-CD2 4.03Å; E26-L59 HydrophobicContact CG-CD2 4.44Å; M27-L59 HydrophobicContact CG-CD2 4.38Å; V57-L59 HydrophobicContact CG1-CD2 3.77Å; V57-L59 HydrophobicContact CG1-CG 4.12Å; V57-L59 HydrophobicContact CG2-CD2 4.02Å; L59-F63 HydrophobicContact CB-CB 4.03Å; L59-L67 HydrophobicContact CD1-CD2 3.48Å; L59-L67 VanDerWaalsContact CD1-CD2 3.48Å |
| 60 | A | 97.4 | Very high | 97.2 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -76.3 | 160.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R24 E26 P62 F63 | R24-A60 PolarHBondContact NH2-O 2.9Å; E26-A60 WeakPolarHBondContact OE1-CB 3.41Å; E26-A60 PolarHBondContact OE1-N 3.18Å; A60-P62 CarbonylContact O-C 3.46Å; A60-F63 PolarHBondContact O-N 2.76Å |
| 61 | E | 96.3 | Very high | 97.4 | Very high | 139 Ų | 139 | 46.8 Ų | 46.8 | 65% | 0.65 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -66.7 | 142.6 | 174.9 | -69.8 | -74.9 | -161 | 0 | 0 | 111.9 | F63 | E61-F63 HydrophobicContact CG-CD1 4.08Å; E61-F63 HydrophobicContact CG-CE1 4.43Å; E61-F63 WeakPolarHBondContact OE1-CD1 3.29Å; E61-F63 WeakPolarHBondContact OE1-CE1 3.39Å; E61-F63 WeakPolarHBondContact OE2-CD1 3.5Å; E61-F63 PolarHBondContact OE2-N 3.45Å; E61-F63 VanDerWaalsContact OE2-N 3.07Å |
| 62 | P | 95.1 | Very high | 97.5 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | S | Bend | cis | -74.9 | 117.3 | -6.1 | 30.4 | -33.6 | 0 | 0 | 0 | 111.4 | R24 A60 D65 | R24-P62 PolarHBondContact NH1-O 3.05Å; A60-P62 CarbonylContact O-C 3.46Å; P62-D65 WeakPolarHBondContact CG-OD2 3.35Å |
| 63 | F | 94.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | trans | -89.1 | -12 | -178.4 | 65.5 | -109.2 | 0 | 0 | 0 | 113.2 | M1 F3 L59 A60 E61 Y94 | M1-F63 HydrophobicContact CB-CB 4.47Å; M1-F63 HydrophobicContact CB-CD1 3.78Å; M1-F63 HydrophobicContact CB-CD2 3.91Å; M1-F63 HydrophobicContact CB-CE1 3.89Å; M1-F63 HydrophobicContact CB-CE2 4.06Å; M1-F63 HydrophobicContact CB-CG 3.8Å; M1-F63 HydrophobicContact CB-CZ 4.05Å; M1-F63 HydrophobicContact CG-CD2 4.44Å; M1-F63 HydrophobicContact CG-CE2 4.35Å; M1-F63 HydrophobicContact SD-CD2 3.72Å; M1-F63 HydrophobicContact SD-CE2 3.33Å; M1-F63 WeakPolarHBondContact SD-CE2 3.43Å; M1-F63 HydrophobicContact SD-CZ 3.86Å; F3-F63 HydrophobicContact CE2-CB 4.23Å; F3-F63 HydrophobicContact CE2-CD2 4.05Å; F3-F63 HydrophobicContact CE2-CG 4.43Å; F3-F63 HydrophobicContact CZ-CD2 4.24Å; F3-F63 WeakPolarHBondContact CZ-O 3.44Å; L59-F63 HydrophobicContact CB-CB 4.03Å; A60-F63 PolarHBondContact O-N 2.76Å; E61-F63 HydrophobicContact CG-CD1 4.08Å; E61-F63 HydrophobicContact CG-CE1 4.43Å; E61-F63 WeakPolarHBondContact OE1-CD1 3.29Å; E61-F63 WeakPolarHBondContact OE1-CE1 3.39Å; E61-F63 WeakPolarHBondContact OE2-CD1 3.5Å; E61-F63 PolarHBondContact OE2-N 3.45Å; E61-F63 VanDerWaalsContact OE2-N 3.07Å; F63-Y94 HydrophobicContact CD2-CD2 4.42Å; F63-Y94 HydrophobicContact CD2-CE2 4.14Å; F63-Y94 AromaticContact CE2-CE2 3.87Å; F63-Y94 HydrophobicContact CE2-CE2 3.87Å | ||
| 64 | K | 96.6 | Very high | 97.1 | Very high | 123 Ų | 123 | 50.3 Ų | 50.3 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -86.4 | -9.6 | 179.7 | -62 | -172.8 | 179.9 | 178.5 | 0 | 113.3 | Y94 | K64-Y94 HydrophobicContact CB-CD2 4.48Å; K64-Y94 HydrophobicContact CB-CG 4.15Å; K64-Y94 HydrophobicContact CD-CD1 4.25Å; K64-Y94 HydrophobicContact CD-CE1 4.23Å; K64-Y94 HydrophobicContact CG-CD1 4.13Å; K64-Y94 HydrophobicContact CG-CD2 4.06Å; K64-Y94 HydrophobicContact CG-CE1 4.33Å; K64-Y94 HydrophobicContact CG-CE2 4.23Å; K64-Y94 HydrophobicContact CG-CG 4Å |
| 65 | D | 95.9 | Very high | 96.3 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -65.1 | 149.3 | 177.4 | -72.9 | 5.2 | 0 | 0 | 0 | 110.6 | P62 L67 | P62-D65 WeakPolarHBondContact CG-OD2 3.35Å; D65-L67 PolarHBondContact O-N 2.96Å |
| 66 | S | 95.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | trans | -57.4 | 135.9 | 174.9 | 50.2 | 0 | 0 | 0 | 0 | 111 | H91 | S66-H91 WeakPolarHBondContact CB-NE2 3.42Š| ||
| 67 | L | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.9 | 170.9 | 67.7 | 86.2 | 0 | 0 | 0 | 111 | F5 R24 M27 L59 D65 F69 C92 | F5-L67 HydrophobicContact CZ-CD1 4.32Å; R24-L67 HydrophobicContact CG-CB 3.87Å; R24-L67 HydrophobicContact CG-CD2 3.87Å; R24-L67 HydrophobicContact CG-CG 4.42Å; M27-L67 HydrophobicContact SD-CD1 4.26Å; L59-L67 HydrophobicContact CD1-CD2 3.48Å; L59-L67 VanDerWaalsContact CD1-CD2 3.48Å; D65-L67 PolarHBondContact O-N 2.96Å; L67-F69 HydrophobicContact CD1-CB 4.12Å; L67-F69 HydrophobicContact CD1-CD1 3.85Å; L67-F69 HydrophobicContact CD1-CG 4.36Å; L67-C92 HydrophobicContact CD1-CB 3.63Å; L67-C92 HydrophobicContact CG-CB 3.8Å; L67-C92 PolarHBondContact N-O 2.89Å; L67-C92 PolarHBondContact O-N 3.22Å |
| 68 | W | 98.5 | Very high | 94.1 | Very high | 112 Ų | 112 | 68.2 Ų | 68.2 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.9 | 173.1 | -68.7 | -97.6 | 0 | 0 | 0 | 109.8 | G22 S23 W30 D89 R90 H91 | G22-W68 CarbonylContact C-O 3.57Å; G22-W68 WeakPolarHBondContact CA-O 3.19Å; S23-W68 PolarHBondContact N-O 3.5Å; S23-W68 PolarHBondContact OG-N 3.05Å; S23-W68 VanDerWaalsContact OG-N 3.11Å; S23-W68 PolarHBondContact OG-O 3.21Å; W30-W68 HydrophobicContact CH2-CB 4.15Å; W30-W68 HydrophobicContact CZ2-CB 3.71Å; W68-D89 HydrophobicContact CB-CB 4.36Å; W68-R90 CarbonylContact C-O 3.5Å; W68-R90 WeakPolarHBondContact CA-O 3.24Å; W68-H91 AromaticContact CE2-CD2 3.91Å; W68-H91 AromaticContact NE1-CD2 3.98Å |
| 69 | F | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 163.5 | -177.5 | 74.4 | -81.9 | 0 | 0 | 0 | 111.9 | F5 V20 L21 M27 L67 F71 R90 C92 H106 | F5-F69 HydrophobicContact CD1-CD1 4.48Å; F5-F69 AromaticContact CD1-CD2 3.99Å; F5-F69 HydrophobicContact CD1-CD2 3.99Å; F5-F69 HydrophobicContact CD1-CE1 4.2Å; F5-F69 AromaticContact CD1-CE2 3.67Å; F5-F69 HydrophobicContact CD1-CE2 3.67Å; F5-F69 HydrophobicContact CD1-CG 4.38Å; F5-F69 AromaticContact CD1-CZ 3.78Å; F5-F69 HydrophobicContact CD1-CZ 3.78Å; F5-F69 AromaticContact CE1-CD1 3.98Å; F5-F69 HydrophobicContact CE1-CD1 3.98Å; F5-F69 HydrophobicContact CE1-CD2 4.21Å; F5-F69 AromaticContact CE1-CE1 3.9Å; F5-F69 HydrophobicContact CE1-CE1 3.9Å; F5-F69 HydrophobicContact CE1-CE2 4.13Å; F5-F69 HydrophobicContact CE1-CG 4.13Å; F5-F69 AromaticContact CE1-CZ 3.97Å; F5-F69 HydrophobicContact CE1-CZ 3.97Å; V20-F69 HydrophobicContact CG2-CD2 3.85Å; L21-F69 CarbonylContact O-C 3.5Å; L21-F69 WeakPolarHBondContact O-CA 3.46Å; L21-F69 WeakPolarHBondContact O-CB 3.33Å; M27-F69 HydrophobicContact CE-CB 3.81Å; L67-F69 HydrophobicContact CD1-CB 4.12Å; L67-F69 HydrophobicContact CD1-CD1 3.85Å; L67-F69 HydrophobicContact CD1-CG 4.36Å; F69-F71 HydrophobicContact CD2-CZ 4.4Å; F69-F71 HydrophobicContact CE2-CE1 4.32Å; F69-F71 AromaticContact CE2-CE2 3.81Å; F69-F71 HydrophobicContact CE2-CE2 3.81Å; F69-F71 AromaticContact CE2-CZ 3.66Å; F69-F71 HydrophobicContact CE2-CZ 3.66Å; F69-R90 HydrophobicContact CD1-CB 3.84Å; F69-R90 HydrophobicContact CD2-CB 4.29Å; F69-R90 HydrophobicContact CE1-CB 3.49Å; F69-R90 VanDerWaalsContact CE1-CB 3.49Å; F69-R90 HydrophobicContact CE2-CB 3.99Å; F69-R90 VanDerWaalsContact CE2-CD 3.43Å; F69-R90 HydrophobicContact CE2-CG 4.35Å; F69-R90 HydrophobicContact CG-CB 4.23Å; F69-R90 HydrophobicContact CZ-CB 3.57Å; F69-R90 HydrophobicContact CZ-CG 4.24Å; F69-R90 PolarHBondContact N-O 3.29Å; F69-R90 WeakPolarHBondContact O-CB 3.48Å; F69-R90 PolarHBondContact O-N 3.08Å; F69-C92 HydrophobicContact CD1-CB 4.07Å; F69-C92 HydrophobicContact CE1-CB 3.88Å; F69-H106 AromaticContact CE1-CD2 3.97Å; F69-H106 AromaticContact CE1-CE1 3.89Å; F69-H106 AromaticContact CE1-NE2 3.65Å; F69-H106 AromaticContact CZ-CE1 3.55Å; F69-H106 AromaticContact CZ-ND1 3.72Å; F69-H106 AromaticContact CZ-NE2 3.8Å |
| 70 | K | 98.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157 | 170.7 | -81.2 | -172 | 164.3 | 173.7 | 0 | 111.6 | L21 W30 W81 E82 G85 H88 D89 | L21-K70 PolarHBondContact N-O 3.44Å; L21-K70 PolarHBondContact O-N 2.96Å; W30-K70 HydrophobicContact CZ3-CB 4.14Å; W30-K70 HydrophobicContact CZ3-CG 4.2Å; K70-W81 HydrophobicContact CB-CE3 4.3Å; K70-W81 HydrophobicContact CB-CZ3 4.48Å; K70-W81 HydrophobicContact CD-CE3 3.94Å; K70-W81 HydrophobicContact CD-CZ3 4.4Å; K70-E82 WeakPolarHBondContact CA-OE1 3.33Å; K70-E82 HydrophobicContact CB-CG 4.19Å; K70-E82 HydrophobicContact CD-CG 4.27Å; K70-E82 WeakPolarHBondContact CE-O 3.44Å; K70-E82 HydrophobicContact CG-CG 4.13Å; K70-E82 PolarHBondContact NZ-O 2.85Å; K70-G85 PolarHBondContact NZ-O 3.48Å; K70-H88 VanDerWaalsContact CE-C 3.42Å; K70-H88 VanDerWaalsContact CE-O 3.28Å; K70-H88 WeakPolarHBondContact CE-O 3.32Å; K70-D89 WeakPolarHBondContact CD-OD1 3.27Å; K70-D89 WeakPolarHBondContact CE-OD1 3.33Å; K70-D89 IonicContact NZ-OD1 3.33Å; K70-D89 PolarHBondContact NZ-OD1 3.36Å |
| 71 | F | 98.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 143.5 | 163.6 | -55.9 | -68.6 | 0 | 0 | 0 | 110.8 | F5 V7 L19 V20 M38 F69 E82 W111 | F5-F71 HydrophobicContact CB-CE1 4.08Å; F5-F71 HydrophobicContact CB-CZ 4.27Å; V7-F71 HydrophobicContact CB-CD1 3.98Å; V7-F71 HydrophobicContact CB-CD2 3.59Å; V7-F71 HydrophobicContact CB-CE1 3.98Å; V7-F71 HydrophobicContact CB-CE2 3.6Å; V7-F71 HydrophobicContact CB-CG 3.78Å; V7-F71 HydrophobicContact CB-CZ 3.78Å; V7-F71 HydrophobicContact CG1-CB 4.35Å; V7-F71 HydrophobicContact CG1-CD1 3.81Å; V7-F71 HydrophobicContact CG1-CD2 4.19Å; V7-F71 HydrophobicContact CG1-CE1 4.12Å; V7-F71 HydrophobicContact CG1-CE2 4.48Å; V7-F71 HydrophobicContact CG1-CG 3.84Å; V7-F71 HydrophobicContact CG1-CZ 4.44Å; V7-F71 HydrophobicContact CG2-CD2 3.61Å; V7-F71 HydrophobicContact CG2-CE2 3.93Å; V7-F71 HydrophobicContact CG2-CG 4.03Å; L19-F71 WeakPolarHBondContact O-CA 3.45Å; V20-F71 HydrophobicContact CB-CD1 3.83Å; V20-F71 HydrophobicContact CB-CE1 3.9Å; V20-F71 HydrophobicContact CG2-CD1 3.87Å; V20-F71 HydrophobicContact CG2-CE1 3.69Å; M38-F71 HydrophobicContact CE-CD1 3.99Å; M38-F71 HydrophobicContact CE-CE1 3.56Å; M38-F71 HydrophobicContact SD-CD1 3.54Å; M38-F71 VanDerWaalsContact SD-CD1 3.54Å; M38-F71 HydrophobicContact SD-CE1 3.75Å; F69-F71 HydrophobicContact CD2-CZ 4.4Å; F69-F71 HydrophobicContact CE2-CE1 4.32Å; F69-F71 AromaticContact CE2-CE2 3.81Å; F69-F71 HydrophobicContact CE2-CE2 3.81Å; F69-F71 AromaticContact CE2-CZ 3.66Å; F69-F71 HydrophobicContact CE2-CZ 3.66Å; F71-E82 WeakPolarHBondContact CD2-OE1 3.49Å; F71-E82 WeakPolarHBondContact CD2-OE2 3.42Å; F71-E82 PolarHBondContact N-OE1 3.43Å; F71-E82 WeakPolarHBondContact O-CG 3.48Å; F71-E82 PolarHBondContact O-N 3.06Å; F71-E82 VanDerWaalsContact O-N 3.13Å; F71-W111 HydrophobicContact CB-CE3 4.27Å; F71-W111 HydrophobicContact CB-CZ3 3.99Å |
| 72 | I | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.5 | 171.1 | 61.7 | 170 | 0 | 0 | 0 | 109.8 | V18 L19 L21 P32 A35 F79 I80 W81 | V18-I72 WeakPolarHBondContact CA-O 3.29Å; L19-I72 HydrophobicContact CB-CD1 4.17Å; L19-I72 HydrophobicContact CB-CG1 3.73Å; L19-I72 HydrophobicContact CD1-CD1 4.22Å; L19-I72 HydrophobicContact CD1-CG1 4.04Å; L19-I72 HydrophobicContact CG-CG1 4.46Å; L19-I72 PolarHBondContact N-O 3.43Å; L19-I72 PolarHBondContact O-N 3.06Å; L21-I72 HydrophobicContact CD2-CB 4.08Å; L21-I72 HydrophobicContact CD2-CD1 3.53Å; L21-I72 HydrophobicContact CD2-CG1 3.6Å; L21-I72 HydrophobicContact CD2-CG2 3.35Å; P32-I72 HydrophobicContact CB-CD1 3.9Å; A35-I72 HydrophobicContact CB-CD1 4.04Å; I72-F79 HydrophobicContact CD1-CD1 3.63Å; I72-F79 HydrophobicContact CD1-CE1 4.09Å; I72-F79 HydrophobicContact CD1-CG 4.29Å; I72-I80 CarbonylContact C-O 3.39Å; I72-I80 VanDerWaalsContact CA-O 3.25Å; I72-I80 WeakPolarHBondContact CA-O 3.47Å; I72-I80 WeakPolarHBondContact CB-O 3.27Å; I72-W81 HydrophobicContact CG2-CB 4.33Å; I72-W81 HydrophobicContact CG2-CD2 3.55Å; I72-W81 HydrophobicContact CG2-CE3 3.71Å; I72-W81 HydrophobicContact CG2-CG 3.82Å; I72-W81 HydrophobicContact CG2-CZ3 4.35Å |
| 73 | K | 96.3 | Very high | 94 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.1 | 164.6 | -70 | 176.6 | -70.1 | -167.4 | 0 | 109.2 | L9 E12 V16 E17 V18 F79 I80 W111 | L9-K73 HydrophobicContact CD1-CD 3.76Å; L9-K73 HydrophobicContact CD1-CG 4.44Å; E12-K73 IonicContact OE1-NZ 3.63Å; E12-K73 PolarHBondContact OE1-NZ 2.95Å; E12-K73 IonicContact OE2-NZ 3.98Å; V16-K73 HydrophobicContact CG2-CB 4.17Å; V16-K73 HydrophobicContact CG2-CD 3.89Å; V16-K73 HydrophobicContact CG2-CG 3.97Å; E17-K73 CarbonylContact O-C 3.54Å; E17-K73 VanDerWaalsContact O-CA 3.25Å; E17-K73 WeakPolarHBondContact O-CA 3.48Å; V18-K73 HydrophobicContact CG2-CG 4.38Å; K73-F79 CarbonylContact O-C 3.5Å; K73-F79 WeakPolarHBondContact O-CA 3.37Å; K73-I80 HydrophobicContact CB-CB 4.3Å; K73-I80 PolarHBondContact N-O 2.92Å; K73-I80 PolarHBondContact O-N 3.14Å; K73-W111 HydrophobicContact CB-CH2 4.4Å; K73-W111 HydrophobicContact CD-CH2 4.24Å; K73-W111 HydrophobicContact CD-CZ2 4.47Å; K73-W111 HydrophobicContact CD-CZ3 4.38Å; K73-W111 VanDerWaalsContact CE-CZ2 3.46Å; K73-W111 HydrophobicContact CG-CH2 3.85Å; K73-W111 HydrophobicContact CG-CZ3 3.86Å |
| 74 | K | 92.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.3 | 166 | -175.3 | -176.1 | -177.5 | -176.3 | 0 | 108.5 | E17 L19 R76 F79 | E17-K74 HydrophobicContact CB-CB 4.15Å; E17-K74 PolarHBondContact O-N 3.37Å; L19-K74 HydrophobicContact CD1-CB 3.9Å; K74-R76 WeakPolarHBondContact CE-O 3.31Å; K74-F79 HydrophobicContact CB-CD1 4Å; K74-F79 HydrophobicContact CB-CE1 4Å; K74-F79 HydrophobicContact CD-CE1 3.93Å; K74-F79 HydrophobicContact CD-CZ 4.41Å; K74-F79 HydrophobicContact CG-CD1 4.14Å; K74-F79 HydrophobicContact CG-CE1 3.9Å |
| 75 | A | 81.3 | Confident | 94 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 107.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | D77 T78 I80 | A75-D77 PolarHBondContact O-N 2.84Å; A75-T78 PolarHBondContact N-O 3.23Å; A75-T78 PolarHBondContact O-N 3.16Å; A75-T78 VanDerWaalsContact O-N 3.13Å; A75-T78 PolarHBondContact O-OG1 3.21Å; A75-T78 VanDerWaalsContact O-OG1 3.12Å; A75-I80 HydrophobicContact CB-CD1 4.26Å |
| 76 | R | 79.1 | Confident | 94 | Very high | 229 Ų | 229 | 58.1 Ų | 58.1 | 86% | 0.864 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -121.9 | -171.3 | -52.7 | 176.1 | -179.6 | 173.3 | 0.1 | 110.7 | K74 | K74-R76 WeakPolarHBondContact CE-O 3.31Š|
| 77 | D | 80.3 | Confident | 94.1 | Very high | 157 Ų | 157 | 60.2 Ų | 60.2 | 84% | 0.84 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 11.7 | -178.9 | -58.8 | -45 | 0 | 0 | 0 | 113.3 | A75 | A75-D77 PolarHBondContact O-N 2.84Š|
| 78 | T | 90.3 | Very high | 94.1 | Very high | 87 Ų | 87 | 62.4 Ų | 62.4 | 53% | 0.534 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.8 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | A75 | A75-T78 PolarHBondContact N-O 3.23Å; A75-T78 PolarHBondContact O-N 3.16Å; A75-T78 VanDerWaalsContact O-N 3.13Å; A75-T78 PolarHBondContact O-OG1 3.21Å; A75-T78 VanDerWaalsContact O-OG1 3.12Å |
| 79 | F | 94.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.263 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.2 | 172.8 | -63.8 | -73.6 | 0 | 0 | 0 | 109.8 | P32 I72 K73 K74 | P32-F79 HydrophobicContact CB-CB 4.41Å; P32-F79 HydrophobicContact CB-CD1 3.98Å; P32-F79 HydrophobicContact CB-CD2 3.55Å; P32-F79 HydrophobicContact CB-CE1 4.01Å; P32-F79 HydrophobicContact CB-CE2 3.62Å; P32-F79 HydrophobicContact CB-CG 3.72Å; P32-F79 HydrophobicContact CB-CZ 3.83Å; P32-F79 HydrophobicContact CG-CD2 4.19Å; P32-F79 HydrophobicContact CG-CG 4.39Å; I72-F79 HydrophobicContact CD1-CD1 3.63Å; I72-F79 HydrophobicContact CD1-CE1 4.09Å; I72-F79 HydrophobicContact CD1-CG 4.29Å; K73-F79 CarbonylContact O-C 3.5Å; K73-F79 WeakPolarHBondContact O-CA 3.37Å; K74-F79 HydrophobicContact CB-CD1 4Å; K74-F79 HydrophobicContact CB-CE1 4Å; K74-F79 HydrophobicContact CD-CE1 3.93Å; K74-F79 HydrophobicContact CD-CZ 4.41Å; K74-F79 HydrophobicContact CG-CD1 4.14Å; K74-F79 HydrophobicContact CG-CE1 3.9Å |
| 80 | I | 95.6 | Very high | 94.1 | Very high | 74 Ų | 74 | 61 Ų | 61 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.2 | 176.1 | -55.6 | 170.6 | 0 | 0 | 0 | 106.8 | I72 K73 A75 W111 | I72-I80 CarbonylContact C-O 3.39Å; I72-I80 VanDerWaalsContact CA-O 3.25Å; I72-I80 WeakPolarHBondContact CA-O 3.47Å; I72-I80 WeakPolarHBondContact CB-O 3.27Å; K73-I80 HydrophobicContact CB-CB 4.3Å; K73-I80 PolarHBondContact N-O 2.92Å; K73-I80 PolarHBondContact O-N 3.14Å; A75-I80 HydrophobicContact CB-CD1 4.26Å; I80-W111 HydrophobicContact CG2-CZ2 4.36Å |
| 81 | W | 97.4 | Very high | 94 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 146.4 | 179.4 | -66.2 | 70.4 | 0 | 0 | 0 | 111 | L21 W30 P32 K70 I72 | L21-W81 HydrophobicContact CD1-CH2 3.53Å; L21-W81 HydrophobicContact CD1-CZ2 4.45Å; L21-W81 HydrophobicContact CD1-CZ3 3.78Å; L21-W81 HydrophobicContact CD2-CH2 4.31Å; L21-W81 HydrophobicContact CD2-CZ3 4.2Å; L21-W81 HydrophobicContact CG-CH2 4.43Å; L21-W81 HydrophobicContact CG-CZ3 4.32Å; W30-W81 HydrophobicContact CE3-CH2 4.2Å; W30-W81 AromaticContact CE3-CZ3 3.86Å; W30-W81 HydrophobicContact CE3-CZ3 3.86Å; W30-W81 HydrophobicContact CZ3-CZ3 4.16Å; P32-W81 HydrophobicContact CG-CZ2 3.66Å; K70-W81 HydrophobicContact CB-CE3 4.3Å; K70-W81 HydrophobicContact CB-CZ3 4.48Å; K70-W81 HydrophobicContact CD-CE3 3.94Å; K70-W81 HydrophobicContact CD-CZ3 4.4Å; I72-W81 HydrophobicContact CG2-CB 4.33Å; I72-W81 HydrophobicContact CG2-CD2 3.55Å; I72-W81 HydrophobicContact CG2-CE3 3.71Å; I72-W81 HydrophobicContact CG2-CG 3.82Å; I72-W81 HydrophobicContact CG2-CZ3 4.35Å |
| 82 | E | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -71.1 | 148.2 | 165.6 | 78.2 | 179.8 | 161.7 | 0 | 0 | 110.9 | K70 F71 R90 W111 I112 | K70-E82 WeakPolarHBondContact CA-OE1 3.33Å; K70-E82 HydrophobicContact CB-CG 4.19Å; K70-E82 HydrophobicContact CD-CG 4.27Å; K70-E82 WeakPolarHBondContact CE-O 3.44Å; K70-E82 HydrophobicContact CG-CG 4.13Å; K70-E82 PolarHBondContact NZ-O 2.85Å; F71-E82 WeakPolarHBondContact CD2-OE1 3.49Å; F71-E82 WeakPolarHBondContact CD2-OE2 3.42Å; F71-E82 PolarHBondContact N-OE1 3.43Å; F71-E82 WeakPolarHBondContact O-CG 3.48Å; F71-E82 PolarHBondContact O-N 3.06Å; F71-E82 VanDerWaalsContact O-N 3.13Å; E82-R90 WeakPolarHBondContact OE1-CD 3.46Å; E82-R90 IonicContact OE1-CZ 3.67Å; E82-R90 IonicContact OE1-NE 2.76Å; E82-R90 PolarHBondContact OE1-NE 2.88Å; E82-R90 IonicContact OE1-NH2 3.7Å; E82-R90 IonicContact OE2-CZ 3.44Å; E82-R90 IonicContact OE2-NE 3.3Å; E82-R90 PolarHBondContact OE2-NE 3.15Å; E82-R90 IonicContact OE2-NH2 2.7Å; E82-R90 PolarHBondContact OE2-NH2 3.49Å; E82-W111 VanDerWaalsContact CA-CZ2 3.49Å; E82-W111 HydrophobicContact CB-CD2 3.92Å; E82-W111 HydrophobicContact CB-CE3 3.97Å; E82-W111 HydrophobicContact CB-CH2 3.8Å; E82-W111 HydrophobicContact CB-CZ2 3.75Å; E82-W111 HydrophobicContact CB-CZ3 3.91Å; E82-I112 CarbonylContact C-O 3.56Å; E82-I112 WeakPolarHBondContact CA-O 3.42Å; E82-I112 HydrophobicContact CB-CB 4.27Å; E82-I112 HydrophobicContact CG-CB 4.38Å; E82-I112 PolarHBondContact OE2-N 2.77Å |
| 83 | G | 97.4 | Very high | 94 | Very high | 9 Ų | 9 | 70.4 Ų | 70.4 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 63.4 | -154.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | H88 I112 E113 | G83-H88 VanDerWaalsContact CA-ND1 3.3Å; G83-H88 WeakPolarHBondContact CA-ND1 3.45Å; G83-I112 PolarHBondContact N-O 3.36Å; G83-E113 WeakPolarHBondContact CA-O 3.2Å |
| 84 | S | 96.4 | Very high | 94 | Very high | 61 Ų | 61 | 72.5 Ų | 72.5 | 43% | 0.427 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -150 | 112 | -177 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | H88 E114 | S84-H88 PolarHBondContact N-ND1 2.85Å; S84-E114 WeakPolarHBondContact CB-O 3.19Å |
| 85 | G | 95.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 71.3 Ų | 71.3 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 67.2 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K70 S87 H88 | K70-G85 PolarHBondContact NZ-O 3.48Å; G85-S87 VanDerWaalsContact C-N 3.26Å; G85-S87 PolarHBondContact O-N 3.13Å; G85-H88 PolarHBondContact O-N 3.42Å |
| 86 | P | 96.3 | Very high | 95 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 69% | 0.688 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -66.9 | -18.7 | -172.8 | -23.3 | 35 | 0 | 0 | 0 | 115.2 | H88 D89 | P86-H88 PolarHBondContact O-N 2.83Å; P86-H88 VanDerWaalsContact O-N 3.15Å; P86-D89 WeakPolarHBondContact O-CB 3.43Å; P86-D89 VanDerWaalsContact O-CG 3.24Å; P86-D89 PolarHBondContact O-N 3.24Å |
| 87 | S | 96.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 74.7 Ų | 74.7 | 71% | 0.713 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -63.7 | -18.4 | 177.8 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | G85 | G85-S87 VanDerWaalsContact C-N 3.26Å; G85-S87 PolarHBondContact O-N 3.13Å |
| 88 | H | 97.8 | Very high | 96.7 | Very high | 48 Ų | 48 | 67.8 Ų | 67.8 | 22% | 0.222 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -103.2 | 11.7 | 176.5 | -57.6 | 162.9 | 0 | 0 | 0 | 112.8 | K70 G83 S84 G85 P86 R90 I112 G116 | K70-H88 VanDerWaalsContact CE-C 3.42Å; K70-H88 VanDerWaalsContact CE-O 3.28Å; K70-H88 WeakPolarHBondContact CE-O 3.32Å; G83-H88 VanDerWaalsContact CA-ND1 3.3Å; G83-H88 WeakPolarHBondContact CA-ND1 3.45Å; S84-H88 PolarHBondContact N-ND1 2.85Å; G85-H88 PolarHBondContact O-N 3.42Å; P86-H88 PolarHBondContact O-N 2.83Å; P86-H88 VanDerWaalsContact O-N 3.15Å; H88-R90 PolarHBondContact O-N 2.78Å; H88-I112 HydrophobicContact CB-CG2 4.42Å; H88-G116 WeakPolarHBondContact CE1-CA 3.22Å |
| 89 | D | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 65.7 Ų | 65.7 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | trans | -63.9 | 129 | 173.2 | -66.7 | -10.3 | 0 | 0 | 0 | 109.4 | W30 W68 K70 P86 | W30-D89 HydrophobicContact CH2-CB 4.25Å; W68-D89 HydrophobicContact CB-CB 4.36Å; K70-D89 WeakPolarHBondContact CD-OD1 3.27Å; K70-D89 WeakPolarHBondContact CE-OD1 3.33Å; K70-D89 IonicContact NZ-OD1 3.33Å; K70-D89 PolarHBondContact NZ-OD1 3.36Å; P86-D89 WeakPolarHBondContact O-CB 3.43Å; P86-D89 VanDerWaalsContact O-CG 3.24Å; P86-D89 PolarHBondContact O-N 3.24Å | ||
| 90 | R | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 140.4 | 176.5 | -59.8 | 176.8 | -178.4 | -90.5 | 4.9 | 108.7 | W68 F69 E82 H88 H110 I112 | W68-R90 CarbonylContact C-O 3.5Å; W68-R90 WeakPolarHBondContact CA-O 3.24Å; F69-R90 HydrophobicContact CD1-CB 3.84Å; F69-R90 HydrophobicContact CD2-CB 4.29Å; F69-R90 HydrophobicContact CE1-CB 3.49Å; F69-R90 VanDerWaalsContact CE1-CB 3.49Å; F69-R90 HydrophobicContact CE2-CB 3.99Å; F69-R90 VanDerWaalsContact CE2-CD 3.43Å; F69-R90 HydrophobicContact CE2-CG 4.35Å; F69-R90 HydrophobicContact CG-CB 4.23Å; F69-R90 HydrophobicContact CZ-CB 3.57Å; F69-R90 HydrophobicContact CZ-CG 4.24Å; F69-R90 PolarHBondContact N-O 3.29Å; F69-R90 WeakPolarHBondContact O-CB 3.48Å; F69-R90 PolarHBondContact O-N 3.08Å; E82-R90 WeakPolarHBondContact OE1-CD 3.46Å; E82-R90 IonicContact OE1-CZ 3.67Å; E82-R90 IonicContact OE1-NE 2.76Å; E82-R90 PolarHBondContact OE1-NE 2.88Å; E82-R90 IonicContact OE1-NH2 3.7Å; E82-R90 IonicContact OE2-CZ 3.44Å; E82-R90 IonicContact OE2-NE 3.3Å; E82-R90 PolarHBondContact OE2-NE 3.15Å; E82-R90 IonicContact OE2-NH2 2.7Å; E82-R90 PolarHBondContact OE2-NH2 3.49Å; H88-R90 PolarHBondContact O-N 2.78Å; R90-H110 PolarHBondContact NH2-O 3.43Å; R90-I112 HydrophobicContact CG-CD1 4.26Å |
| 91 | H | 97.9 | Very high | 97.2 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 38% | 0.384 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.3 | 178.4 | -177.8 | -150.1 | 0 | 0 | 0 | 109.8 | S66 W68 L93 | S66-H91 WeakPolarHBondContact CB-NE2 3.42Å; W68-H91 AromaticContact CE2-CD2 3.91Å; W68-H91 AromaticContact NE1-CD2 3.98Å; H91-L93 WeakPolarHBondContact CE1-CD1 3.49Å; H91-L93 VanDerWaalsContact CE1-CG 3.49Å; H91-L93 WeakPolarHBondContact CE1-CG 3.4Å |
| 92 | C | 97.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 106.1 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 109.3 | L67 F69 | L67-C92 HydrophobicContact CD1-CB 3.63Å; L67-C92 HydrophobicContact CG-CB 3.8Å; L67-C92 PolarHBondContact N-O 2.89Å; L67-C92 PolarHBondContact O-N 3.22Å; F69-C92 HydrophobicContact CD1-CB 4.07Å; F69-C92 HydrophobicContact CE1-CB 3.88Å |
| 93 | L | 96.9 | Very high | 97.2 | Very high | 118 Ų | 118 | 65.8 Ų | 65.8 | 62% | 0.618 | 37% | 0.367 | S | S | * | . | trans | -94.7 | 128 | 165.9 | -92.2 | 147 | 0 | 0 | 0 | 109 | H91 D95 Y104 | H91-L93 WeakPolarHBondContact CE1-CD1 3.49Å; H91-L93 VanDerWaalsContact CE1-CG 3.49Å; H91-L93 WeakPolarHBondContact CE1-CG 3.4Å; L93-D95 PolarHBondContact O-N 3.46Å; L93-Y104 PolarHBondContact O-OH 2.88Å | ||
| 94 | Y | 97.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | trans | -63.7 | 123.1 | 179 | -175 | -85.5 | 0 | 0 | 0 | 111.2 | M1 F3 F63 K64 E96 Y104 | M1-Y94 HydrophobicContact CE-CE2 4.36Å; M1-Y94 HydrophobicContact SD-CE2 3.86Å; F3-Y94 AromaticContact CZ-CD2 3.94Å; F3-Y94 HydrophobicContact CZ-CD2 3.94Å; F3-Y94 HydrophobicContact CZ-CE2 4.28Å; F63-Y94 HydrophobicContact CD2-CD2 4.42Å; F63-Y94 HydrophobicContact CD2-CE2 4.14Å; F63-Y94 AromaticContact CE2-CE2 3.87Å; F63-Y94 HydrophobicContact CE2-CE2 3.87Å; K64-Y94 HydrophobicContact CB-CD2 4.48Å; K64-Y94 HydrophobicContact CB-CG 4.15Å; K64-Y94 HydrophobicContact CD-CD1 4.25Å; K64-Y94 HydrophobicContact CD-CE1 4.23Å; K64-Y94 HydrophobicContact CG-CD1 4.13Å; K64-Y94 HydrophobicContact CG-CD2 4.06Å; K64-Y94 HydrophobicContact CG-CE1 4.33Å; K64-Y94 HydrophobicContact CG-CE2 4.23Å; K64-Y94 HydrophobicContact CG-CG 4Å; Y94-E96 HydrophobicContact CE1-CB 4.3Å; Y94-Y104 AromaticContact CD2-CD2 3.7Å; Y94-Y104 HydrophobicContact CD2-CD2 3.7Å; Y94-Y104 AromaticContact CD2-CE2 3.7Å; Y94-Y104 HydrophobicContact CD2-CE2 3.7Å; Y94-Y104 AromaticContact CE2-CD2 3.54Å; Y94-Y104 HydrophobicContact CE2-CD2 3.54Å; Y94-Y104 AromaticContact CE2-CE2 3.96Å; Y94-Y104 HydrophobicContact CE2-CE2 3.96Å; Y94-Y104 HydrophobicContact CE2-CG 4.4Å; Y94-Y104 HydrophobicContact CG-CE2 4.15Å | ||
| 95 | D | 97.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | trans | -129.3 | 119.7 | 172.2 | -176.4 | -15.4 | 0 | 0 | 0 | 110.2 | L93 R97 N98 Y104 | L93-D95 PolarHBondContact O-N 3.46Å; D95-R97 PolarHBondContact O-N 3.18Å; D95-R97 VanDerWaalsContact O-N 3.09Å; D95-R97 VanDerWaalsContact OD1-CB 3.29Å; D95-R97 WeakPolarHBondContact OD1-CB 3.42Å; D95-R97 VanDerWaalsContact OD1-CG 3.32Å; D95-R97 WeakPolarHBondContact OD1-CG 3.31Å; D95-R97 IonicContact OD1-CZ 3.96Å; D95-R97 PolarHBondContact OD1-N 3.08Å; D95-R97 IonicContact OD1-NE 3.05Å; D95-R97 PolarHBondContact OD1-NE 3.27Å; D95-R97 IonicContact OD2-CZ 3.17Å; D95-R97 IonicContact OD2-NE 2.92Å; D95-R97 PolarHBondContact OD2-NE 2.96Å; D95-R97 IonicContact OD2-NH2 2.65Å; D95-R97 PolarHBondContact OD2-NH2 3.11Å; D95-N98 WeakPolarHBondContact O-CB 3.47Å; D95-N98 PolarHBondContact O-N 3.4Å; D95-Y104 PolarHBondContact N-OH 3.45Å; D95-Y104 VanDerWaalsContact O-CE2 3.28Å; D95-Y104 WeakPolarHBondContact O-CE2 3.35Å | ||
| 96 | E | 97.4 | Very high | 97.6 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 71% | 0.71 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -59.1 | -24.9 | -178 | -170.7 | 167.2 | -161.8 | 0 | 0 | 113.2 | Y94 N98 V99 | Y94-E96 HydrophobicContact CE1-CB 4.3Å; E96-N98 PolarHBondContact O-N 3.41Å; E96-N98 VanDerWaalsContact O-N 3.16Å; E96-V99 WeakPolarHBondContact O-CB 3.43Å; E96-V99 WeakPolarHBondContact O-CG2 3.38Å; E96-V99 PolarHBondContact O-N 2.94Å; E96-V99 VanDerWaalsContact O-N 3.07Å |
| 97 | R | 97.1 | Very high | 97.7 | Very high | 191 Ų | 191 | 58.6 Ų | 58.6 | 72% | 0.721 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64.3 | -18.4 | 175.6 | -60.4 | 176 | -67.1 | 178.6 | -0.3 | 113.2 | D95 V99 | D95-R97 PolarHBondContact O-N 3.18Å; D95-R97 VanDerWaalsContact O-N 3.09Å; D95-R97 VanDerWaalsContact OD1-CB 3.29Å; D95-R97 WeakPolarHBondContact OD1-CB 3.42Å; D95-R97 VanDerWaalsContact OD1-CG 3.32Å; D95-R97 WeakPolarHBondContact OD1-CG 3.31Å; D95-R97 IonicContact OD1-CZ 3.96Å; D95-R97 PolarHBondContact OD1-N 3.08Å; D95-R97 IonicContact OD1-NE 3.05Å; D95-R97 PolarHBondContact OD1-NE 3.27Å; D95-R97 IonicContact OD2-CZ 3.17Å; D95-R97 IonicContact OD2-NE 2.92Å; D95-R97 PolarHBondContact OD2-NE 2.96Å; D95-R97 IonicContact OD2-NH2 2.65Å; D95-R97 PolarHBondContact OD2-NH2 3.11Å; R97-V99 VanDerWaalsContact C-N 3.35Å |
| 98 | N | 98 | Very high | 97.8 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -86.8 | -2.8 | 177.3 | -71.6 | -33 | 0 | 0 | 0 | 113.4 | D95 E96 V100 Y104 C105 R273 | D95-N98 WeakPolarHBondContact O-CB 3.47Å; D95-N98 PolarHBondContact O-N 3.4Å; E96-N98 PolarHBondContact O-N 3.41Å; E96-N98 VanDerWaalsContact O-N 3.16Å; N98-V100 PolarHBondContact O-N 2.96Å; N98-Y104 HydrophobicContact CB-CD2 4.23Å; N98-Y104 HydrophobicContact CB-CE2 3.76Å; N98-Y104 PolarHBondContact ND2-OH 3.17Å; N98-C105 WeakPolarHBondContact CB-O 3.37Å; N98-C105 PolarHBondContact O-N 2.76Å; N98-R273 HydrophobicContact CB-CG 4.41Å; N98-R273 PolarHBondContact OD1-NE 3.35Å; N98-R273 PolarHBondContact OD1-NH2 3.39Å |
| 99 | V | 98.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 52.8 Ų | 52.8 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.1 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | M1 E96 R97 V103 Y104 | M1-V99 HydrophobicContact CE-CG1 4.16Å; M1-V99 HydrophobicContact CE-CG2 3.75Å; E96-V99 WeakPolarHBondContact O-CB 3.43Å; E96-V99 WeakPolarHBondContact O-CG2 3.38Å; E96-V99 PolarHBondContact O-N 2.94Å; E96-V99 VanDerWaalsContact O-N 3.07Å; R97-V99 VanDerWaalsContact C-N 3.35Å; V99-V103 CarbonylContact C-O 3.52Å; V99-V103 WeakPolarHBondContact CA-O 3.35Å; V99-Y104 HydrophobicContact CG2-CD2 4.22Å |
| 100 | V | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 112.7 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | N98 G102 V103 C105 R273 R274 | N98-V100 PolarHBondContact O-N 2.96Å; V100-G102 VanDerWaalsContact C-N 3.26Å; V100-G102 PolarHBondContact O-N 2.81Å; V100-V103 PolarHBondContact N-O 2.81Å; V100-V103 PolarHBondContact O-N 3.44Å; V100-C105 HydrophobicContact CG2-CB 4.37Å; V100-R273 HydrophobicContact CG2-CB 4.07Å; V100-R273 HydrophobicContact CG2-CG 4.08Å; V100-R274 HydrophobicContact CG1-CB 3.76Å; V100-R274 HydrophobicContact CG1-CG 3.82Å; V100-R274 HydrophobicContact CG2-CB 4.04Å |
| 101 | N | 95.2 | Very high | 97.7 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 42.1 | 179.7 | -57.5 | -23.1 | 0 | 0 | 0 | 113.3 | V103 | N101-V103 VanDerWaalsContact C-N 3.33Å; N101-V103 PolarHBondContact O-N 3.47Å |
| 102 | G | 96.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 58% | 0.577 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -2.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V100 | V100-G102 VanDerWaalsContact C-N 3.26Å; V100-G102 PolarHBondContact O-N 2.81Å |
| 103 | V | 98.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.9 | 177 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | L2 R4 V99 V100 N101 C105 | L2-V103 HydrophobicContact CB-CG1 4.28Å; L2-V103 HydrophobicContact CB-CG2 4.49Å; L2-V103 HydrophobicContact CD2-CG1 4.15Å; L2-V103 HydrophobicContact CD2-CG2 3.93Å; L2-V103 HydrophobicContact CG-CG1 4.14Å; R4-V103 HydrophobicContact CB-CG1 4.03Å; V99-V103 CarbonylContact C-O 3.52Å; V99-V103 WeakPolarHBondContact CA-O 3.35Å; V100-V103 PolarHBondContact N-O 2.81Å; V100-V103 PolarHBondContact O-N 3.44Å; N101-V103 VanDerWaalsContact C-N 3.33Å; N101-V103 PolarHBondContact O-N 3.47Å; V103-C105 PolarHBondContact O-N 3.41Å |
| 104 | Y | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 116.1 | 171.6 | -176.5 | -88.1 | 0 | 0 | 0 | 109.4 | L2 F3 R4 L93 Y94 D95 N98 V99 H106 | L2-Y104 PolarHBondContact O-N 3.42Å; F3-Y104 CarbonylContact C-O 3.6Å; F3-Y104 WeakPolarHBondContact CA-O 3.47Å; F3-Y104 AromaticContact CD1-CD1 3.22Å; F3-Y104 HydrophobicContact CD1-CD1 3.22Å; F3-Y104 AromaticContact CD1-CE1 3.89Å; F3-Y104 HydrophobicContact CD1-CE1 3.89Å; F3-Y104 AromaticContact CD1-CG 3.81Å; F3-Y104 HydrophobicContact CD1-CG 3.81Å; F3-Y104 AromaticContact CE1-CD1 3.29Å; F3-Y104 HydrophobicContact CE1-CD1 3.29Å; F3-Y104 HydrophobicContact CE1-CD2 4.3Å; F3-Y104 AromaticContact CE1-CE1 3.72Å; F3-Y104 HydrophobicContact CE1-CE1 3.72Å; F3-Y104 AromaticContact CE1-CG 3.62Å; F3-Y104 HydrophobicContact CE1-CG 3.62Å; F3-Y104 HydrophobicContact CE2-CG 4.34Å; F3-Y104 AromaticContact CG-CD1 3.96Å; F3-Y104 HydrophobicContact CG-CD1 3.96Å; F3-Y104 HydrophobicContact CG-CG 4.26Å; F3-Y104 HydrophobicContact CZ-CD1 4.07Å; F3-Y104 HydrophobicContact CZ-CD2 4.4Å; F3-Y104 AromaticContact CZ-CG 3.91Å; F3-Y104 HydrophobicContact CZ-CG 3.91Å; R4-Y104 PolarHBondContact N-O 2.86Å; L93-Y104 PolarHBondContact O-OH 2.88Å; Y94-Y104 AromaticContact CD2-CD2 3.7Å; Y94-Y104 HydrophobicContact CD2-CD2 3.7Å; Y94-Y104 AromaticContact CD2-CE2 3.7Å; Y94-Y104 HydrophobicContact CD2-CE2 3.7Å; Y94-Y104 AromaticContact CE2-CD2 3.54Å; Y94-Y104 HydrophobicContact CE2-CD2 3.54Å; Y94-Y104 AromaticContact CE2-CE2 3.96Å; Y94-Y104 HydrophobicContact CE2-CE2 3.96Å; Y94-Y104 HydrophobicContact CE2-CG 4.4Å; Y94-Y104 HydrophobicContact CG-CE2 4.15Å; D95-Y104 PolarHBondContact N-OH 3.45Å; D95-Y104 VanDerWaalsContact O-CE2 3.28Å; D95-Y104 WeakPolarHBondContact O-CE2 3.35Å; N98-Y104 HydrophobicContact CB-CD2 4.23Å; N98-Y104 HydrophobicContact CB-CE2 3.76Å; N98-Y104 PolarHBondContact ND2-OH 3.17Å; V99-Y104 HydrophobicContact CG2-CD2 4.22Å; Y104-H106 HydrophobicContact CE1-CB 4.21Å |
| 105 | C | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 102.4 | 179.5 | -70 | 0 | 0 | 0 | 0 | 109.8 | N98 V100 V103 R273 Y277 | N98-C105 WeakPolarHBondContact CB-O 3.37Å; N98-C105 PolarHBondContact O-N 2.76Å; V100-C105 HydrophobicContact CG2-CB 4.37Å; V103-C105 PolarHBondContact O-N 3.41Å; C105-R273 HydrophobicContact CB-CG 3.51Å; C105-R273 WeakPolarHBondContact O-CD 3.46Å; C105-R273 VanDerWaalsContact O-CG 3.3Å; C105-R273 WeakPolarHBondContact O-CG 3.29Å; C105-R273 PolarHBondContact O-NE 3.41Å; C105-Y277 HydrophobicContact CB-CD2 4.09Å; C105-Y277 HydrophobicContact CB-CE2 3.7Å |
| 106 | H | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -60 | 143 | 174.3 | -173.8 | -81.4 | 0 | 0 | 0 | 110.2 | R4 F5 F69 Y104 I108 Y277 | R4-H106 PolarHBondContact O-N 3.01Å; F5-H106 HydrophobicContact CD1-CB 3.75Å; F5-H106 HydrophobicContact CE1-CB 3.98Å; F69-H106 AromaticContact CE1-CD2 3.97Å; F69-H106 AromaticContact CE1-CE1 3.89Å; F69-H106 AromaticContact CE1-NE2 3.65Å; F69-H106 AromaticContact CZ-CE1 3.55Å; F69-H106 AromaticContact CZ-ND1 3.72Å; F69-H106 AromaticContact CZ-NE2 3.8Å; Y104-H106 HydrophobicContact CE1-CB 4.21Å; H106-I108 PolarHBondContact O-N 2.83Å; H106-Y277 VanDerWaalsContact O-CE2 3.24Å; H106-Y277 WeakPolarHBondContact O-CE2 3.29Å; H106-Y277 PolarHBondContact O-OH 3.24Å |
| 107 | P | 98.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -47 | 131.7 | 173.5 | -16.4 | 14.7 | 0 | 0 | 0 | 112.5 | G109 R273 | P107-G109 PolarHBondContact O-N 2.9Å; P107-R273 VanDerWaalsContact CA-CZ 3.44Å |
| 108 | I | 98.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 124.2 | 174.7 | -66.3 | 172 | 0 | 0 | 0 | 107.9 | G6 I8 L52 H106 Q276 Y277 A280 | G6-I108 WeakPolarHBondContact O-CA 3.21Å; I8-I108 HydrophobicContact CD1-CG2 3.73Å; I8-I108 HydrophobicContact CG1-CG2 3.75Å; L52-I108 HydrophobicContact CD1-CD1 3.87Å; L52-I108 HydrophobicContact CD1-CG1 4.19Å; L52-I108 HydrophobicContact CD1-CG2 3.74Å; L52-I108 HydrophobicContact CD2-CD1 4.02Å; H106-I108 PolarHBondContact O-N 2.83Å; I108-Q276 HydrophobicContact CD1-CG 4.26Å; I108-Y277 HydrophobicContact CD1-CD1 3.99Å; I108-Y277 HydrophobicContact CD1-CD2 3.86Å; I108-Y277 HydrophobicContact CD1-CE1 4.16Å; I108-Y277 HydrophobicContact CD1-CE2 4.03Å; I108-Y277 HydrophobicContact CD1-CG 3.85Å; I108-Y277 HydrophobicContact CG1-CD1 4.34Å; I108-Y277 HydrophobicContact CG1-CD2 3.97Å; I108-Y277 HydrophobicContact CG1-CE1 4.02Å; I108-Y277 HydrophobicContact CG1-CE2 3.6Å; I108-Y277 HydrophobicContact CG1-CG 4.33Å; I108-A280 HydrophobicContact CD1-CB 3.9Å |
| 109 | G | 97.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 162.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G6 V7 I8 P107 | G6-G109 PolarHBondContact O-N 3.22Å; V7-G109 CarbonylContact C-O 3.57Å; V7-G109 VanDerWaalsContact CA-O 3.28Å; V7-G109 WeakPolarHBondContact CA-O 3.48Å; I8-G109 PolarHBondContact N-O 2.95Å; P107-G109 PolarHBondContact O-N 2.9Å |
| 110 | H | 97.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 147.3 | 159 | -69.1 | 91.2 | 0 | 0 | 0 | 109.1 | I8 R90 I112 T118 E120 | I8-H110 WeakPolarHBondContact O-CA 3.27Å; R90-H110 PolarHBondContact NH2-O 3.43Å; H110-I112 PolarHBondContact O-N 3.02Å; H110-T118 HydrophobicContact CB-CG2 3.94Å; H110-E120 HydrophobicContact CB-CG 3.87Å; H110-E120 VanDerWaalsContact CE1-CD 3.42Å; H110-E120 IonicContact CE1-OE2 3.13Å; H110-E120 PolarHBondContact CE1-OE2 3.32Å; H110-E120 VanDerWaalsContact CG-CG 3.43Å; H110-E120 IonicContact CG-OE1 2.63Å; H110-E120 IonicContact CG-OE2 2.71Å; H110-E120 WeakPolarHBondContact ND1-CG 3.22Å; H110-E120 IonicContact ND1-OE1 2.77Å; H110-E120 PolarHBondContact ND1-OE1 2.86Å; H110-E120 IonicContact ND1-OE2 3.1Å; H110-E120 PolarHBondContact ND1-OE2 2.85Å; H110-E120 VanDerWaalsContact ND1-OE2 3.08Å |
| 111 | W | 97.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 54 Ų | 54 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 131.7 | 175.4 | 178.6 | -91.3 | 0 | 0 | 0 | 111.1 | V7 I8 L9 F71 K73 I80 E82 T118 | V7-W111 HydrophobicContact CG2-CB 4.39Å; I8-W111 PolarHBondContact O-N 3.42Å; L9-W111 HydrophobicContact CB-CB 3.75Å; L9-W111 HydrophobicContact CB-CG 4.4Å; L9-W111 HydrophobicContact CD2-CE3 4.46Å; F71-W111 HydrophobicContact CB-CE3 4.27Å; F71-W111 HydrophobicContact CB-CZ3 3.99Å; K73-W111 HydrophobicContact CB-CH2 4.4Å; K73-W111 HydrophobicContact CD-CH2 4.24Å; K73-W111 HydrophobicContact CD-CZ2 4.47Å; K73-W111 HydrophobicContact CD-CZ3 4.38Å; K73-W111 VanDerWaalsContact CE-CZ2 3.46Å; K73-W111 HydrophobicContact CG-CH2 3.85Å; K73-W111 HydrophobicContact CG-CZ3 3.86Å; I80-W111 HydrophobicContact CG2-CZ2 4.36Å; E82-W111 VanDerWaalsContact CA-CZ2 3.49Å; E82-W111 HydrophobicContact CB-CD2 3.92Å; E82-W111 HydrophobicContact CB-CE3 3.97Å; E82-W111 HydrophobicContact CB-CH2 3.8Å; E82-W111 HydrophobicContact CB-CZ2 3.75Å; E82-W111 HydrophobicContact CB-CZ3 3.91Å; W111-T118 WeakPolarHBondContact O-CA 3.41Å |
| 112 | I | 98.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 118.6 | 176.8 | -62.6 | 163.8 | 0 | 0 | 0 | 107.5 | E82 G83 H88 R90 H110 T118 | E82-I112 CarbonylContact C-O 3.56Å; E82-I112 WeakPolarHBondContact CA-O 3.42Å; E82-I112 HydrophobicContact CB-CB 4.27Å; E82-I112 HydrophobicContact CG-CB 4.38Å; E82-I112 PolarHBondContact OE2-N 2.77Å; G83-I112 PolarHBondContact N-O 3.36Å; H88-I112 HydrophobicContact CB-CG2 4.42Å; R90-I112 HydrophobicContact CG-CD1 4.26Å; H110-I112 PolarHBondContact O-N 3.02Å; I112-T118 HydrophobicContact CG1-CG2 4.24Å |
| 113 | E | 96.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 53 Ų | 53 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 164.6 | 174.7 | -62.9 | -60.7 | 163.8 | 0 | 0 | 111.1 | G83 T115 G116 H117 H123 | G83-E113 WeakPolarHBondContact CA-O 3.2Å; E113-T115 PolarHBondContact O-N 2.71Å; E113-G116 PolarHBondContact O-N 2.9Å; E113-H117 WeakPolarHBondContact CB-O 3.3Å; E113-H117 PolarHBondContact N-O 3.02Å; E113-H123 IonicContact OE1-NE2 2.96Å |
| 114 | E | 94.7 | Very high | 95 | Very high | 155 Ų | 155 | 54.4 Ų | 54.4 | 72% | 0.724 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -30.3 | 179.1 | -172.7 | 176.7 | -167.7 | 0 | 0 | 112.6 | S84 G116 | S84-E114 WeakPolarHBondContact CB-O 3.19Å; E114-G116 PolarHBondContact O-N 3.48Å |
| 115 | T | 94 | Very high | 94.7 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.9 | 176.8 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | E113 H117 | E113-T115 PolarHBondContact O-N 2.71Å; T115-H117 PolarHBondContact OG1-N 3.2Å; T115-H117 PolarHBondContact OG1-ND1 2.94Å |
| 116 | G | 94.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 61 Ų | 61 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 90 | -6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H88 E113 E114 | H88-G116 WeakPolarHBondContact CE1-CA 3.22Å; E113-G116 PolarHBondContact O-N 2.9Å; E114-G116 PolarHBondContact O-N 3.48Å |
| 117 | H | 94.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 60.6 Ų | 60.6 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | trans | -94.3 | 155 | 176.9 | -56.8 | 106.1 | 0 | 0 | 0 | 112 | E113 T115 | E113-H117 WeakPolarHBondContact CB-O 3.3Å; E113-H117 PolarHBondContact N-O 3.02Å; T115-H117 PolarHBondContact OG1-N 3.2Å; T115-H117 PolarHBondContact OG1-ND1 2.94Å | ||
| 118 | T | 92.8 | Very high | 94 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | trans | -90.1 | -10 | 174.6 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | H110 W111 I112 E120 H123 | H110-T118 HydrophobicContact CB-CG2 3.94Å; W111-T118 WeakPolarHBondContact O-CA 3.41Å; I112-T118 HydrophobicContact CG1-CG2 4.24Å; T118-E120 PolarHBondContact O-N 3.11Å; T118-E120 WeakPolarHBondContact OG1-CG 3.35Å; T118-E120 PolarHBondContact OG1-OE1 3.44Å; T118-H123 PolarHBondContact O-CD2 3.47Å | ||
| 119 | D | 92.1 | Very high | 93.8 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | 50.9 | 23.6 | -179.8 | -83.1 | 7.5 | 0 | 0 | 0 | 114.7 | M121 K122 H123 | D119-M121 VanDerWaalsContact C-N 3.27Å; D119-M121 PolarHBondContact O-N 3.19Å; D119-M121 VanDerWaalsContact O-N 3.1Å; D119-K122 HydrophobicContact CB-CB 4.34Å; D119-K122 HydrophobicContact CB-CD 4.27Å; D119-K122 WeakPolarHBondContact O-CA 3.45Å; D119-K122 WeakPolarHBondContact O-CB 3.47Å; D119-K122 PolarHBondContact O-N 3.39Å; D119-K122 WeakPolarHBondContact OD2-CD 3.46Å; D119-K122 IonicContact OD2-NZ 3.95Å; D119-K122 PolarHBondContact OD2-NZ 3.23Å; D119-H123 VanDerWaalsContact C-CD2 3.47Å; D119-H123 PolarHBondContact O-CD2 3.24Å; D119-H123 PolarHBondContact O-N 2.96Å | ||
| 120 | E | 90.5 | Very high | 93.6 | Very high | 62 Ų | 62 | 69.1 Ų | 69.1 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.4 | -41.8 | -172.1 | -78.6 | 173.1 | -119.4 | 0 | 0 | 113.6 | H110 T118 K122 H123 T124 | H110-E120 HydrophobicContact CB-CG 3.87Å; H110-E120 VanDerWaalsContact CE1-CD 3.42Å; H110-E120 IonicContact CE1-OE2 3.13Å; H110-E120 PolarHBondContact CE1-OE2 3.32Å; H110-E120 VanDerWaalsContact CG-CG 3.43Å; H110-E120 IonicContact CG-OE1 2.63Å; H110-E120 IonicContact CG-OE2 2.71Å; H110-E120 WeakPolarHBondContact ND1-CG 3.22Å; H110-E120 IonicContact ND1-OE1 2.77Å; H110-E120 PolarHBondContact ND1-OE1 2.86Å; H110-E120 IonicContact ND1-OE2 3.1Å; H110-E120 PolarHBondContact ND1-OE2 2.85Å; H110-E120 VanDerWaalsContact ND1-OE2 3.08Å; T118-E120 PolarHBondContact O-N 3.11Å; T118-E120 WeakPolarHBondContact OG1-CG 3.35Å; T118-E120 PolarHBondContact OG1-OE1 3.44Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 2.85Å; E120-H123 PolarHBondContact O-N 3.35Å; E120-T124 VanDerWaalsContact O-CB 3.3Å; E120-T124 WeakPolarHBondContact O-CB 3.34Å; E120-T124 PolarHBondContact O-N 3.48Å; E120-T124 PolarHBondContact O-OG1 3.32Å |
| 121 | M | 90.1 | Very high | 93.5 | Very high | 134 Ų | 134 | 67.7 Ų | 67.7 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 178 | -175.7 | 178 | -68.2 | 0 | 0 | 111.7 | D119 T125 M219 | D119-M121 VanDerWaalsContact C-N 3.27Å; D119-M121 PolarHBondContact O-N 3.19Å; D119-M121 VanDerWaalsContact O-N 3.1Å; M121-T125 WeakPolarHBondContact O-CB 3.49Å; M121-T125 PolarHBondContact O-N 3.43Å; M121-T125 PolarHBondContact O-OG1 3.44Å; M121-M219 HydrophobicContact CE-CE 3.93Å |
| 122 | K | 91.2 | Very high | 93.3 | Very high | 113 Ų | 113 | 68.2 Ų | 68.2 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -46.4 | 177.4 | 169.9 | -175.1 | 163.4 | -160.6 | 0 | 110.6 | D119 E120 T124 T125 N126 | D119-K122 HydrophobicContact CB-CB 4.34Å; D119-K122 HydrophobicContact CB-CD 4.27Å; D119-K122 WeakPolarHBondContact O-CA 3.45Å; D119-K122 WeakPolarHBondContact O-CB 3.47Å; D119-K122 PolarHBondContact O-N 3.39Å; D119-K122 WeakPolarHBondContact OD2-CD 3.46Å; D119-K122 IonicContact OD2-NZ 3.95Å; D119-K122 PolarHBondContact OD2-NZ 3.23Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 2.85Å; K122-T124 PolarHBondContact O-N 3.49Å; K122-T125 PolarHBondContact O-N 2.66Å; K122-N126 WeakPolarHBondContact O-CB 3.26Å; K122-N126 PolarHBondContact O-N 3.48Å |
| 123 | H | 90.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 70.4 Ų | 70.4 | 27% | 0.269 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.2 | -65.2 | -64.4 | 0 | 0 | 0 | 112.3 | E113 T118 D119 E120 T125 N126 F127 | E113-H123 IonicContact OE1-NE2 2.96Å; T118-H123 PolarHBondContact O-CD2 3.47Å; D119-H123 VanDerWaalsContact C-CD2 3.47Å; D119-H123 PolarHBondContact O-CD2 3.24Å; D119-H123 PolarHBondContact O-N 2.96Å; E120-H123 PolarHBondContact O-N 3.35Å; H123-T125 VanDerWaalsContact C-N 3.33Å; H123-T125 PolarHBondContact O-N 3.14Å; H123-N126 PolarHBondContact O-N 3.14Å; H123-F127 WeakPolarHBondContact O-CB 3.44Å; H123-F127 PolarHBondContact O-N 3.42Å |
| 124 | T | 91.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 73.4 Ų | 73.4 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | E120 K122 F127 Y128 V253 | E120-T124 VanDerWaalsContact O-CB 3.3Å; E120-T124 WeakPolarHBondContact O-CB 3.34Å; E120-T124 PolarHBondContact O-N 3.48Å; E120-T124 PolarHBondContact O-OG1 3.32Å; K122-T124 PolarHBondContact O-N 3.49Å; T124-F127 PolarHBondContact O-N 3.42Å; T124-Y128 WeakPolarHBondContact O-CB 3.47Å; T124-Y128 PolarHBondContact O-N 3.4Å; T124-V253 HydrophobicContact CG2-CB 4.39Å; T124-V253 HydrophobicContact CG2-CG1 3.77Å; T124-V253 HydrophobicContact CG2-CG2 4.37Å |
| 125 | T | 91.7 | Very high | 93.3 | Very high | 50 Ų | 50 | 72.5 Ų | 72.5 | 31% | 0.307 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 178.9 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | M121 K122 H123 Y128 F129 | M121-T125 WeakPolarHBondContact O-CB 3.49Å; M121-T125 PolarHBondContact O-N 3.43Å; M121-T125 PolarHBondContact O-OG1 3.44Å; K122-T125 PolarHBondContact O-N 2.66Å; H123-T125 VanDerWaalsContact C-N 3.33Å; H123-T125 PolarHBondContact O-N 3.14Å; T125-Y128 PolarHBondContact O-N 2.77Å; T125-F129 HydrophobicContact CG2-CD2 3.45Å; T125-F129 VanDerWaalsContact CG2-CD2 3.45Å; T125-F129 HydrophobicContact CG2-CE2 3.16Å; T125-F129 HydrophobicContact CG2-CG 4.5Å; T125-F129 HydrophobicContact CG2-CZ 4.03Å; T125-F129 WeakPolarHBondContact O-CB 3.07Å; T125-F129 WeakPolarHBondContact O-CD2 3.42Å; T125-F129 PolarHBondContact O-N 2.89Å |
| 126 | N | 92.3 | Very high | 93.4 | Very high | 91 Ų | 91 | 69.3 Ų | 69.3 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.2 | -72 | -11.2 | 0 | 0 | 0 | 111.7 | K122 H123 Y128 F129 K130 | K122-N126 WeakPolarHBondContact O-CB 3.26Å; K122-N126 PolarHBondContact O-N 3.48Å; H123-N126 PolarHBondContact O-N 3.14Å; N126-Y128 PolarHBondContact O-N 2.88Å; N126-F129 PolarHBondContact O-N 3.38Å; N126-K130 WeakPolarHBondContact O-CB 3.34Å; N126-K130 PolarHBondContact O-N 3.49Å |
| 127 | F | 93 | Very high | 93.6 | Very high | 15 Ų | 15 | 69 Ų | 69 | 7% | 0.066 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 175.3 | 169.9 | -98.6 | 0 | 0 | 0 | 111.4 | H123 T124 K130 V131 H138 V253 A285 | H123-F127 WeakPolarHBondContact O-CB 3.44Å; H123-F127 PolarHBondContact O-N 3.42Å; T124-F127 PolarHBondContact O-N 3.42Å; F127-K130 PolarHBondContact O-N 2.9Å; F127-V131 HydrophobicContact CE1-CG2 4.5Å; F127-V131 HydrophobicContact CE2-CG2 4.17Å; F127-V131 HydrophobicContact CZ-CG2 4.11Å; F127-V131 WeakPolarHBondContact O-CG2 3.46Å; F127-V131 PolarHBondContact O-N 3.45Å; F127-V131 VanDerWaalsContact O-N 3.17Å; F127-H138 AromaticContact CE2-ND1 3.86Å; F127-H138 HydrophobicContact CZ-CB 4.31Å; F127-H138 AromaticContact CZ-CG 3.94Å; F127-H138 AromaticContact CZ-ND1 3.48Å; F127-H138 WeakPolarHBondContact CZ-ND1 3.01Å; F127-V253 HydrophobicContact CD1-CG2 4.25Å; F127-V253 HydrophobicContact CE1-CG2 4.18Å; F127-A285 HydrophobicContact CD1-CB 4.08Å; F127-A285 HydrophobicContact CD2-CB 4.28Å; F127-A285 HydrophobicContact CE1-CB 3.96Å; F127-A285 HydrophobicContact CE2-CB 4.16Å; F127-A285 HydrophobicContact CG-CB 4.24Å; F127-A285 HydrophobicContact CZ-CB 4.01Å |
| 128 | Y | 94.7 | Very high | 93.8 | Very high | 54 Ų | 54 | 65.8 Ų | 65.8 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 178.2 | 164.3 | -109.2 | 0 | 0 | 0 | 112.4 | T124 T125 N126 K130 V131 A132 N183 N250 A251 | T124-Y128 WeakPolarHBondContact O-CB 3.47Å; T124-Y128 PolarHBondContact O-N 3.4Å; T125-Y128 PolarHBondContact O-N 2.77Å; N126-Y128 PolarHBondContact O-N 2.88Å; Y128-K130 VanDerWaalsContact C-N 3.28Å; Y128-K130 PolarHBondContact O-N 3.38Å; Y128-V131 PolarHBondContact O-N 3.33Å; Y128-A132 HydrophobicContact CE2-CB 4.32Å; Y128-A132 WeakPolarHBondContact O-CB 3.4Å; Y128-A132 PolarHBondContact O-N 3.11Å; Y128-N183 WeakPolarHBondContact CE2-OD1 3.31Å; Y128-N183 PolarHBondContact OH-ND2 3.08Å; Y128-N183 PolarHBondContact OH-OD1 3.45Å; Y128-N250 HydrophobicContact CE2-CB 4.08Å; Y128-A251 HydrophobicContact CD2-CB 3.86Å; Y128-A251 HydrophobicContact CG-CB 4.35Å |
| 129 | F | 94.3 | Very high | 94 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.8 | -33.4 | -178.6 | -76.5 | -39.6 | 0 | 0 | 0 | 112.8 | T125 N126 G133 | T125-F129 HydrophobicContact CG2-CD2 3.45Å; T125-F129 VanDerWaalsContact CG2-CD2 3.45Å; T125-F129 HydrophobicContact CG2-CE2 3.16Å; T125-F129 HydrophobicContact CG2-CG 4.5Å; T125-F129 HydrophobicContact CG2-CZ 4.03Å; T125-F129 WeakPolarHBondContact O-CB 3.07Å; T125-F129 WeakPolarHBondContact O-CD2 3.42Å; T125-F129 PolarHBondContact O-N 2.89Å; N126-F129 PolarHBondContact O-N 3.38Å; F129-G133 WeakPolarHBondContact O-CA 3.35Å; F129-G133 PolarHBondContact O-N 3.49Å |
| 130 | K | 94.1 | Very high | 94.3 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -52 | 173.5 | -177.2 | 174.2 | -179.5 | 174.1 | 0 | 111.7 | D48 N126 F127 Y128 A132 G133 Q134 | D48-K130 IonicContact OD1-NZ 3.23Å; D48-K130 PolarHBondContact OD1-NZ 3.22Å; D48-K130 IonicContact OD2-NZ 3.1Å; D48-K130 PolarHBondContact OD2-NZ 2.68Å; N126-K130 WeakPolarHBondContact O-CB 3.34Å; N126-K130 PolarHBondContact O-N 3.49Å; F127-K130 PolarHBondContact O-N 2.9Å; Y128-K130 VanDerWaalsContact C-N 3.28Å; Y128-K130 PolarHBondContact O-N 3.38Å; K130-A132 VanDerWaalsContact C-N 3.32Å; K130-A132 PolarHBondContact O-N 3.38Å; K130-G133 PolarHBondContact O-N 2.67Å; K130-Q134 WeakPolarHBondContact O-CG 3.4Å; K130-Q134 PolarHBondContact O-N 3.03Å; K130-Q134 VanDerWaalsContact O-N 3.14Å |
| 131 | V | 95 | Very high | 94.7 | Very high | 13 Ų | 13 | 68.5 Ų | 68.5 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.8 | 177 | 0 | 0 | 0 | 0 | 110.6 | F127 Y128 K135 A136 H138 | F127-V131 HydrophobicContact CE1-CG2 4.5Å; F127-V131 HydrophobicContact CE2-CG2 4.17Å; F127-V131 HydrophobicContact CZ-CG2 4.11Å; F127-V131 WeakPolarHBondContact O-CG2 3.46Å; F127-V131 PolarHBondContact O-N 3.45Å; F127-V131 VanDerWaalsContact O-N 3.17Å; Y128-V131 PolarHBondContact O-N 3.33Å; V131-K135 PolarHBondContact O-N 3.18Å; V131-A136 HydrophobicContact CG1-CB 4.3Å; V131-A136 PolarHBondContact O-N 3.43Å; V131-H138 HydrophobicContact CG1-CB 4.04Å; V131-H138 HydrophobicContact CG2-CB 3.85Å |
| 132 | A | 95.4 | Very high | 95 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 20% | 0.198 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.3 | -43.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y128 K130 Q134 K135 | Y128-A132 HydrophobicContact CE2-CB 4.32Å; Y128-A132 WeakPolarHBondContact O-CB 3.4Å; Y128-A132 PolarHBondContact O-N 3.11Å; K130-A132 VanDerWaalsContact C-N 3.32Å; K130-A132 PolarHBondContact O-N 3.38Å; A132-Q134 VanDerWaalsContact C-N 3.28Å; A132-Q134 PolarHBondContact O-N 2.92Å; A132-K135 WeakPolarHBondContact O-CA 3.36Å; A132-K135 PolarHBondContact O-N 3.35Å |
| 133 | G | 94.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 68% | 0.68 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.3 | -32.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F129 K130 K135 | F129-G133 WeakPolarHBondContact O-CA 3.35Å; F129-G133 PolarHBondContact O-N 3.49Å; K130-G133 PolarHBondContact O-N 2.67Å; G133-K135 PolarHBondContact O-N 2.88Å |
| 134 | Q | 96.1 | Very high | 95.5 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.6 | 172.3 | -65.8 | 175.7 | -8.8 | 0 | 0 | 113.2 | K130 A132 A136 | K130-Q134 WeakPolarHBondContact O-CG 3.4Å; K130-Q134 PolarHBondContact O-N 3.03Å; K130-Q134 VanDerWaalsContact O-N 3.14Å; A132-Q134 VanDerWaalsContact C-N 3.28Å; A132-Q134 PolarHBondContact O-N 2.92Å; Q134-A136 HydrophobicContact CB-CB 4.05Å; Q134-A136 PolarHBondContact O-N 3.43Å; Q134-A136 VanDerWaalsContact O-N 3.14Å |
| 135 | K | 96.3 | Very high | 95.8 | Very high | 137 Ų | 137 | 57.7 Ų | 57.7 | 60% | 0.596 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 34.6 | -169.8 | -57.7 | -178.3 | -178.9 | 178 | 0 | 112 | V131 A132 G133 Q154 H157 | V131-K135 PolarHBondContact O-N 3.18Å; A132-K135 WeakPolarHBondContact O-CA 3.36Å; A132-K135 PolarHBondContact O-N 3.35Å; G133-K135 PolarHBondContact O-N 2.88Å; K135-Q154 HydrophobicContact CB-CG 4.45Å; K135-Q154 PolarHBondContact O-NE2 2.87Å; K135-H157 PolarHBondContact O-CE1 2.5Å |
| 136 | A | 97.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | trans | -92.2 | 170.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V131 Q134 R153 H157 | V131-A136 HydrophobicContact CG1-CB 4.3Å; V131-A136 PolarHBondContact O-N 3.43Å; Q134-A136 HydrophobicContact CB-CB 4.05Å; Q134-A136 PolarHBondContact O-N 3.43Å; Q134-A136 VanDerWaalsContact O-N 3.14Å; A136-R153 WeakPolarHBondContact O-CD 3.48Å; A136-R153 PolarHBondContact O-NH1 2.86Å; A136-R153 VanDerWaalsContact O-NH1 3.14Å; A136-H157 VanDerWaalsContact C-CE1 3.44Å | ||
| 137 | I | 98 | Very high | 96.4 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | trans | -120.2 | 131.4 | 166.6 | -170 | 172.9 | 0 | 0 | 0 | 108.9 | F139 H157 K161 M162 Y246 | I137-F139 HydrophobicContact CG1-CD1 4.22Å; I137-F139 HydrophobicContact CG2-CD1 4.33Å; I137-F139 HydrophobicContact CG2-CE1 4.21Å; I137-H157 HydrophobicContact CB-CB 4.47Å; I137-H157 HydrophobicContact CD1-CB 4.15Å; I137-H157 HydrophobicContact CG2-CB 4.22Å; I137-H157 PolarHBondContact N-CE1 2.96Å; I137-K161 HydrophobicContact CG2-CG 4.33Å; I137-M162 HydrophobicContact CD1-CE 3.49Å; I137-M162 VanDerWaalsContact CD1-CE 3.49Å; I137-Y246 HydrophobicContact CD1-CE1 4.44Å; I137-Y246 WeakPolarHBondContact CD1-OH 3.33Å; I137-Y246 WeakPolarHBondContact CG1-OH 3.26Å | ||
| 138 | H | 97.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 52 Ų | 52 | 26% | 0.255 | 26% | 0.26 | S | S | . | . | trans | -124 | 124.3 | -178.9 | -168.8 | -91.7 | 0 | 0 | 0 | 110.9 | E49 F127 V131 G149 S150 R283 | E49-H138 IonicContact OE2-CE1 3.39Å; E49-H138 IonicContact OE2-NE2 2.65Å; E49-H138 PolarHBondContact OE2-NE2 3.18Å; F127-H138 AromaticContact CE2-ND1 3.86Å; F127-H138 HydrophobicContact CZ-CB 4.31Å; F127-H138 AromaticContact CZ-CG 3.94Å; F127-H138 AromaticContact CZ-ND1 3.48Å; F127-H138 WeakPolarHBondContact CZ-ND1 3.01Å; V131-H138 HydrophobicContact CG1-CB 4.04Å; V131-H138 HydrophobicContact CG2-CB 3.85Å; H138-G149 CarbonylContact O-C 3.54Å; H138-G149 WeakPolarHBondContact O-CA 3.25Å; H138-S150 PolarHBondContact N-OG 2.8Å; H138-S150 PolarHBondContact O-N 3.45Å; H138-R283 PolarHBondContact ND1-NH1 3.35Å; H138-R283 PolarHBondContact O-NH1 2.7Å; H138-R283 PolarHBondContact O-NH2 2.88Å | ||
| 139 | F | 98.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 24% | 0.237 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.6 | -170.4 | 57.4 | -95.7 | 0 | 0 | 0 | 112.5 | I137 W147 L148 K161 L166 Y246 | I137-F139 HydrophobicContact CG1-CD1 4.22Å; I137-F139 HydrophobicContact CG2-CD1 4.33Å; I137-F139 HydrophobicContact CG2-CE1 4.21Å; F139-W147 AromaticContact CD2-CE3 3.65Å; F139-W147 HydrophobicContact CD2-CE3 3.65Å; F139-W147 AromaticContact CD2-CZ3 3.72Å; F139-W147 HydrophobicContact CD2-CZ3 3.72Å; F139-W147 HydrophobicContact CE2-CE3 4.11Å; F139-W147 AromaticContact CE2-CZ3 3.76Å; F139-W147 HydrophobicContact CE2-CZ3 3.76Å; F139-L148 CarbonylContact C-O 3.6Å; F139-L148 VanDerWaalsContact CA-O 3.32Å; F139-L148 WeakPolarHBondContact CA-O 3.48Å; F139-K161 HydrophobicContact CE1-CD 3.97Å; F139-K161 HydrophobicContact CE1-CG 3.84Å; F139-K161 HydrophobicContact CZ-CD 3.91Å; F139-K161 HydrophobicContact CZ-CG 4.17Å; F139-L166 HydrophobicContact CD1-CD1 4.43Å; F139-L166 HydrophobicContact CD2-CD1 4.01Å; F139-L166 HydrophobicContact CD2-CD2 4.46Å; F139-L166 HydrophobicContact CE1-CD1 4.17Å; F139-L166 HydrophobicContact CE2-CD1 3.72Å; F139-L166 HydrophobicContact CE2-CD2 3.6Å; F139-L166 HydrophobicContact CE2-CG 4.25Å; F139-L166 HydrophobicContact CG-CD1 4.36Å; F139-L166 HydrophobicContact CZ-CD1 3.81Å; F139-L166 HydrophobicContact CZ-CD2 3.92Å; F139-L166 HydrophobicContact CZ-CG 4.3Å; F139-Y246 HydrophobicContact CB-CE2 3.62Å; F139-Y246 HydrophobicContact CD1-CE2 4.47Å; F139-Y246 HydrophobicContact CG-CE2 4.1Å |
| 140 | S | 98 | Very high | 97.1 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 12% | 0.119 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140 | 179.7 | -51.9 | 0 | 0 | 0 | 0 | 109.2 | V142 W147 L148 R282 R283 | S140-V142 PolarHBondContact O-N 2.87Å; S140-W147 WeakPolarHBondContact O-CA 3.05Å; S140-L148 PolarHBondContact N-O 3.05Å; S140-L148 PolarHBondContact O-N 3.41Å; S140-R282 WeakPolarHBondContact CB-O 3.37Å; S140-R282 PolarHBondContact OG-O 3.13Å; S140-R283 WeakPolarHBondContact OG-CB 3.34Å; S140-R283 WeakPolarHBondContact OG-CG 3.2Å; S140-R283 PolarHBondContact OG-NH1 3.49Å |
| 141 | R | 98 | Very high | 97.3 | Very high | 139 Ų | 139 | 40.3 Ų | 40.3 | 53% | 0.525 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.9 | 170.1 | -164.1 | 176.3 | -173.5 | -170.2 | 2.6 | 108.6 | L143 P144 W147 | R141-L143 VanDerWaalsContact CG-O 3.31Å; R141-L143 WeakPolarHBondContact CG-O 3.38Å; R141-P144 VanDerWaalsContact CZ-O 3.27Å; R141-P144 PolarHBondContact NE-O 2.96Å; R141-P144 PolarHBondContact NH2-O 3.21Å; R141-W147 HydrophobicContact CB-CD2 4.08Å; R141-W147 HydrophobicContact CB-CE3 3.72Å; R141-W147 HydrophobicContact CB-CH2 3.83Å; R141-W147 HydrophobicContact CB-CZ2 4.17Å; R141-W147 HydrophobicContact CB-CZ3 3.6Å; R141-W147 HydrophobicContact CG-CD2 4.11Å; R141-W147 HydrophobicContact CG-CE3 4.26Å; R141-W147 HydrophobicContact CG-CH2 4.1Å; R141-W147 HydrophobicContact CG-CZ2 3.94Å; R141-W147 HydrophobicContact CG-CZ3 4.27Å |
| 142 | V | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -49.2 | -179 | -177 | 0 | 0 | 0 | 0 | 111.1 | S140 V146 L148 V260 F278 R282 | S140-V142 PolarHBondContact O-N 2.87Å; V142-V146 PolarHBondContact N-O 2.75Å; V142-L148 HydrophobicContact CG2-CB 3.55Å; V142-L148 HydrophobicContact CG2-CD2 4.17Å; V142-V260 HydrophobicContact CB-CG1 4.3Å; V142-V260 HydrophobicContact CG1-CG1 3.78Å; V142-V260 HydrophobicContact CG2-CG1 4.43Å; V142-F278 HydrophobicContact CG1-CD1 4.4Å; V142-F278 HydrophobicContact CG1-CE1 3.89Å; V142-F278 WeakPolarHBondContact O-CE1 3.43Å; V142-R282 VanDerWaalsContact O-CD 3.27Å; V142-R282 WeakPolarHBondContact O-CD 3.18Å; V142-R282 PolarHBondContact O-NE 3.45Å |
| 143 | L | 96.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 166.2 | 171.7 | -65.7 | 170.4 | 0 | 0 | 0 | 108.5 | R141 R145 V146 L263 L264 F278 Y313 T316 | R141-L143 VanDerWaalsContact CG-O 3.31Å; R141-L143 WeakPolarHBondContact CG-O 3.38Å; L143-R145 PolarHBondContact O-N 3.36Å; L143-V146 HydrophobicContact CB-CB 3.94Å; L143-V146 HydrophobicContact CB-CG2 4.05Å; L143-V146 HydrophobicContact CD1-CG2 4.08Å; L143-V146 PolarHBondContact N-O 3.3Å; L143-V146 PolarHBondContact O-N 3.08Å; L143-V146 VanDerWaalsContact O-O 3.11Å; L143-L263 HydrophobicContact CD1-CD2 4.28Å; L143-L264 HydrophobicContact CD1-CD2 3.93Å; L143-L264 HydrophobicContact CD2-CD2 4.38Å; L143-L264 HydrophobicContact CG-CD2 4.44Å; L143-F278 HydrophobicContact CD2-CE1 4.11Å; L143-F278 HydrophobicContact CD2-CZ 3.83Å; L143-Y313 HydrophobicContact CB-CD1 4.16Å; L143-Y313 HydrophobicContact CB-CE1 4.17Å; L143-Y313 HydrophobicContact CD1-CD1 4.08Å; L143-Y313 HydrophobicContact CD1-CE1 3.77Å; L143-Y313 HydrophobicContact CD2-CD1 4.03Å; L143-Y313 HydrophobicContact CD2-CG 4.46Å; L143-Y313 HydrophobicContact CG-CD1 4.33Å; L143-Y313 HydrophobicContact CG-CE1 4.4Å; L143-T316 HydrophobicContact CD2-CG2 3.93Å |
| 144 | P | 95.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -35.9 | 179 | -32.9 | 36.5 | 0 | 0 | 0 | 114.7 | R141 | R141-P144 VanDerWaalsContact CZ-O 3.27Å; R141-P144 PolarHBondContact NE-O 2.96Å; R141-P144 PolarHBondContact NH2-O 3.21Å |
| 145 | R | 97.1 | Very high | 97.7 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 16.7 | -179.6 | -72.3 | 173.8 | 52.1 | -146.7 | -27.2 | 113.9 | L143 L239 G242 H243 V245 | L143-R145 PolarHBondContact O-N 3.36Å; R145-L239 HydrophobicContact CB-CD2 4.12Å; R145-L239 PolarHBondContact NH2-O 3.13Å; R145-G242 VanDerWaalsContact CZ-CA 3.49Å; R145-G242 VanDerWaalsContact CZ-O 3.26Å; R145-G242 PolarHBondContact NE-O 3.25Å; R145-G242 PolarHBondContact NH2-O 3.43Å; R145-H243 VanDerWaalsContact CZ-O 3.27Å; R145-H243 PolarHBondContact NE-O 3.29Å; R145-H243 VanDerWaalsContact NH2-C 3.31Å; R145-H243 PolarHBondContact NH2-O 3.18Å; R145-V245 PolarHBondContact O-N 2.9Å |
| 146 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.4 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | V142 L143 L239 V247 V260 L263 | V142-V146 PolarHBondContact N-O 2.75Å; L143-V146 HydrophobicContact CB-CB 3.94Å; L143-V146 HydrophobicContact CB-CG2 4.05Å; L143-V146 HydrophobicContact CD1-CG2 4.08Å; L143-V146 PolarHBondContact N-O 3.3Å; L143-V146 PolarHBondContact O-N 3.08Å; L143-V146 VanDerWaalsContact O-O 3.11Å; V146-L239 HydrophobicContact CG2-CD1 3.8Å; V146-L239 HydrophobicContact CG2-CD2 3.73Å; V146-L239 HydrophobicContact CG2-CG 4.38Å; V146-V247 HydrophobicContact CG1-CG2 4.18Å; V146-V260 HydrophobicContact CG1-CG1 4.44Å; V146-V260 HydrophobicContact CG1-CG2 4.06Å; V146-L263 HydrophobicContact CG2-CD2 4.25Å |
| 147 | W | 98.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.1 | 172.1 | -62.9 | 84.1 | 0 | 0 | 0 | 109.6 | F139 S140 R141 L166 I168 V245 Y246 V247 | F139-W147 AromaticContact CD2-CE3 3.65Å; F139-W147 HydrophobicContact CD2-CE3 3.65Å; F139-W147 AromaticContact CD2-CZ3 3.72Å; F139-W147 HydrophobicContact CD2-CZ3 3.72Å; F139-W147 HydrophobicContact CE2-CE3 4.11Å; F139-W147 AromaticContact CE2-CZ3 3.76Å; F139-W147 HydrophobicContact CE2-CZ3 3.76Å; S140-W147 WeakPolarHBondContact O-CA 3.05Å; R141-W147 HydrophobicContact CB-CD2 4.08Å; R141-W147 HydrophobicContact CB-CE3 3.72Å; R141-W147 HydrophobicContact CB-CH2 3.83Å; R141-W147 HydrophobicContact CB-CZ2 4.17Å; R141-W147 HydrophobicContact CB-CZ3 3.6Å; R141-W147 HydrophobicContact CG-CD2 4.11Å; R141-W147 HydrophobicContact CG-CE3 4.26Å; R141-W147 HydrophobicContact CG-CH2 4.1Å; R141-W147 HydrophobicContact CG-CZ2 3.94Å; R141-W147 HydrophobicContact CG-CZ3 4.27Å; W147-L166 HydrophobicContact CE3-CD1 4.44Å; W147-L166 HydrophobicContact CE3-CD2 4.29Å; W147-L166 HydrophobicContact CH2-CD2 3.57Å; W147-L166 HydrophobicContact CZ2-CD2 3.89Å; W147-L166 HydrophobicContact CZ3-CD2 3.78Å; W147-I168 HydrophobicContact CB-CD1 4.37Å; W147-I168 HydrophobicContact CG-CD1 3.89Å; W147-V245 PolarHBondContact N-O 3.35Å; W147-Y246 HydrophobicContact CB-CD2 3.61Å; W147-Y246 HydrophobicContact CB-CE2 4.27Å; W147-Y246 HydrophobicContact CB-CG 4.41Å; W147-Y246 HydrophobicContact CG-CD2 4.48Å; W147-V247 PolarHBondContact O-N 3.13Å |
| 148 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.3 | 178.1 | 173.7 | 61.3 | 0 | 0 | 0 | 109.2 | F139 S140 V142 V247 S256 V260 V279 V286 | F139-L148 CarbonylContact C-O 3.6Å; F139-L148 VanDerWaalsContact CA-O 3.32Å; F139-L148 WeakPolarHBondContact CA-O 3.48Å; S140-L148 PolarHBondContact N-O 3.05Å; S140-L148 PolarHBondContact O-N 3.41Å; V142-L148 HydrophobicContact CG2-CB 3.55Å; V142-L148 HydrophobicContact CG2-CD2 4.17Å; L148-V247 WeakPolarHBondContact CA-O 3.43Å; L148-S256 WeakPolarHBondContact CD1-OG 3.18Å; L148-V260 HydrophobicContact CD1-CG2 4.28Å; L148-V279 HydrophobicContact CD2-CG1 4.41Å; L148-V286 HydrophobicContact CD2-CG1 3.9Å |
| 149 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | -172.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | H138 Y246 V247 H248 G252 | H138-G149 CarbonylContact O-C 3.54Å; H138-G149 WeakPolarHBondContact O-CA 3.25Å; G149-Y246 WeakPolarHBondContact CA-OH 3.47Å; G149-V247 PolarHBondContact N-O 3.39Å; G149-H248 WeakPolarHBondContact O-CA 3.49Å; G149-H248 WeakPolarHBondContact O-CB 3.34Å; G149-G252 VanDerWaalsContact C-CA 3.46Å; G149-G252 WeakPolarHBondContact O-CA 3.42Å; G149-G252 PolarHBondContact O-N 3.34Å |
| 150 | S | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 166.6 | 174.2 | 71 | 0 | 0 | 0 | 0 | 111.6 | H138 Y246 N250 | H138-S150 PolarHBondContact N-OG 2.8Å; H138-S150 PolarHBondContact O-N 3.45Å; S150-Y246 PolarHBondContact N-OH 3.41Å; S150-Y246 PolarHBondContact O-OH 3.3Å; S150-N250 WeakPolarHBondContact CA-O 3.43Å; S150-N250 VanDerWaalsContact CB-O 3.24Å; S150-N250 WeakPolarHBondContact CB-O 3.3Å |
| 151 | C | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 157 | 174.9 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | R153 Q175 N183 H248 C249 N250 | C151-R153 PolarHBondContact O-NH1 3.29Å; C151-R153 PolarHBondContact SG-NH2 3.37Å; C151-Q175 VanDerWaalsContact CB-NE2 3.31Å; C151-Q175 PolarHBondContact SG-NE2 3.45Å; C151-N183 VanDerWaalsContact SG-CB 3.54Å; C151-H248 WeakPolarHBondContact CA-ND1 3.28Å; C151-C249 WeakPolarHBondContact CB-O 3.41Å; C151-C249 PolarHBondContact N-O 3.23Å; C151-N250 PolarHBondContact N-O 3.13Å |
| 152 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 151.4 | 163.7 | 31.8 | -36.3 | 0 | 0 | 0 | 110.1 | H157 V158 M162 S184 L200 | P152-H157 HydrophobicContact CB-CB 3.74Å; P152-V158 HydrophobicContact CB-CG2 3.77Å; P152-V158 HydrophobicContact CG-CG2 3.97Å; P152-M162 HydrophobicContact CB-CE 4.25Å; P152-M162 HydrophobicContact CG-CE 4.35Å; P152-S184 PolarHBondContact O-OG 2.99Å; P152-L200 HydrophobicContact CG-CD1 4.24Å |
| 153 | R | 98.1 | Very high | 98 | Very high | 13 Ų | 13 | 31 Ų | 31 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | trans | -133.5 | -9.5 | -178.9 | -59.4 | -164.1 | 160.9 | 68.6 | 8.1 | 112.5 | A136 C151 H157 N183 G186 N250 | A136-R153 WeakPolarHBondContact O-CD 3.48Å; A136-R153 PolarHBondContact O-NH1 2.86Å; A136-R153 VanDerWaalsContact O-NH1 3.14Å; C151-R153 PolarHBondContact O-NH1 3.29Å; C151-R153 PolarHBondContact SG-NH2 3.37Å; R153-H157 PolarHBondContact N-ND1 2.75Å; R153-N183 WeakPolarHBondContact CG-O 3.49Å; R153-N183 PolarHBondContact NH2-OD1 3.4Å; R153-N183 VanDerWaalsContact NH2-OD1 3.09Å; R153-G186 CarbonylContact O-C 3.52Å; R153-G186 WeakPolarHBondContact O-CA 3.28Å; R153-N250 PolarHBondContact NH2-O 3.31Å | ||
| 154 | Q | 96.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 34% | 0.341 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -140.7 | 150.6 | 179.5 | -58.3 | -174.1 | 61.5 | 0 | 0 | 107.4 | K135 E156 H157 G186 | K135-Q154 HydrophobicContact CB-CG 4.45Å; K135-Q154 PolarHBondContact O-NE2 2.87Å; Q154-E156 PolarHBondContact O-N 3.34Å; Q154-H157 VanDerWaalsContact O-CB 3.29Å; Q154-H157 WeakPolarHBondContact O-CB 3.44Å; Q154-H157 PolarHBondContact O-N 3.35Å; Q154-G186 WeakPolarHBondContact CA-O 3.39Å |
| 155 | V | 97.1 | Very high | 98.3 | Very high | 37 Ų | 37 | 40 Ų | 40 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.8 | -39.3 | 179.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | H157 V158 T159 G186 L203 | V155-H157 PolarHBondContact O-N 2.86Å; V155-V158 PolarHBondContact O-N 3.37Å; V155-T159 HydrophobicContact CG1-CG2 3.67Å; V155-T159 PolarHBondContact O-N 3.31Å; V155-T159 PolarHBondContact O-OG1 3.48Å; V155-G186 PolarHBondContact N-O 2.79Å; V155-L203 HydrophobicContact CG1-CD1 4.08Å |
| 156 | E | 97.8 | Very high | 98.3 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 43% | 0.425 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -25.1 | -179.6 | -64 | 69.2 | -148.5 | 0 | 0 | 112.6 | Q154 V158 T159 I160 K161 | Q154-E156 PolarHBondContact O-N 3.34Å; E156-V158 PolarHBondContact O-N 2.97Å; E156-T159 WeakPolarHBondContact CA-OG1 3.47Å; E156-I160 HydrophobicContact CB-CD1 4Å; E156-I160 HydrophobicContact CB-CG1 4.34Å; E156-I160 HydrophobicContact CG-CD1 3.85Å; E156-I160 WeakPolarHBondContact O-CA 3.42Å; E156-I160 WeakPolarHBondContact O-CB 3.36Å; E156-I160 PolarHBondContact O-N 3.17Å; E156-K161 PolarHBondContact O-N 3.47Å |
| 157 | H | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -64.5 | -31.2 | 173.1 | -62.7 | 177.6 | 0 | 0 | 0 | 111.4 | K135 A136 I137 P152 R153 Q154 V155 K161 M162 | K135-H157 PolarHBondContact O-CE1 2.5Å; A136-H157 VanDerWaalsContact C-CE1 3.44Å; I137-H157 HydrophobicContact CB-CB 4.47Å; I137-H157 HydrophobicContact CD1-CB 4.15Å; I137-H157 HydrophobicContact CG2-CB 4.22Å; I137-H157 PolarHBondContact N-CE1 2.96Å; P152-H157 HydrophobicContact CB-CB 3.74Å; R153-H157 PolarHBondContact N-ND1 2.75Å; Q154-H157 VanDerWaalsContact O-CB 3.29Å; Q154-H157 WeakPolarHBondContact O-CB 3.44Å; Q154-H157 PolarHBondContact O-N 3.35Å; V155-H157 PolarHBondContact O-N 2.86Å; H157-K161 WeakPolarHBondContact O-CB 3.46Å; H157-M162 WeakPolarHBondContact O-CB 3.48Å; H157-M162 VanDerWaalsContact O-CG 3.25Å; H157-M162 WeakPolarHBondContact O-CG 3.45Å; H157-M162 PolarHBondContact O-N 2.82Å |
| 158 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -88.4 | -55.2 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | P152 V155 E156 I160 M162 K163 L203 Y204 C207 I209 | P152-V158 HydrophobicContact CB-CG2 3.77Å; P152-V158 HydrophobicContact CG-CG2 3.97Å; V155-V158 PolarHBondContact O-N 3.37Å; E156-V158 PolarHBondContact O-N 2.97Å; V158-I160 PolarHBondContact O-N 3.41Å; V158-M162 HydrophobicContact CG2-SD 4.37Å; V158-K163 WeakPolarHBondContact O-CB 3.25Å; V158-K163 PolarHBondContact O-N 3.31Å; V158-L203 HydrophobicContact CB-CD2 3.9Å; V158-L203 HydrophobicContact CB-CG 4.17Å; V158-L203 HydrophobicContact CG1-CD2 4.32Å; V158-L203 HydrophobicContact CG1-CG 4.07Å; V158-L203 HydrophobicContact CG2-CD2 3.73Å; V158-L203 HydrophobicContact CG2-CG 4.38Å; V158-Y204 HydrophobicContact CB-CE1 4.28Å; V158-Y204 HydrophobicContact CG1-CD1 3.52Å; V158-Y204 HydrophobicContact CG1-CE1 3.5Å; V158-Y204 HydrophobicContact CG2-CD1 4.5Å; V158-Y204 HydrophobicContact CG2-CE1 3.76Å; V158-C207 HydrophobicContact CG1-CB 4.46Å; V158-I209 HydrophobicContact CG1-CD1 4.17Å |
| 159 | T | 98.3 | Very high | 98.3 | Very high | 40 Ų | 40 | 41 Ų | 41 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -70.7 | -31.9 | -169.4 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | V155 E156 K163 H164 L203 | V155-T159 HydrophobicContact CG1-CG2 3.67Å; V155-T159 PolarHBondContact O-N 3.31Å; V155-T159 PolarHBondContact O-OG1 3.48Å; E156-T159 WeakPolarHBondContact CA-OG1 3.47Å; T159-K163 WeakPolarHBondContact O-CB 3.18Å; T159-H164 PolarHBondContact O-CD2 3.27Å; T159-L203 HydrophobicContact CG2-CD1 4.06Å |
| 160 | I | 98.3 | Very high | 98.3 | Very high | 81 Ų | 81 | 41 Ų | 41 | 42% | 0.415 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -108.1 | -60.4 | -178.2 | -55.8 | 178.2 | 0 | 0 | 0 | 109.6 | E156 V158 H164 E165 | E156-I160 HydrophobicContact CB-CD1 4Å; E156-I160 HydrophobicContact CB-CG1 4.34Å; E156-I160 HydrophobicContact CG-CD1 3.85Å; E156-I160 WeakPolarHBondContact O-CA 3.42Å; E156-I160 WeakPolarHBondContact O-CB 3.36Å; E156-I160 PolarHBondContact O-N 3.17Å; V158-I160 PolarHBondContact O-N 3.41Å; I160-H164 WeakPolarHBondContact O-CA 3.48Å; I160-H164 WeakPolarHBondContact O-CB 3.5Å; I160-H164 PolarHBondContact O-N 3.25Å; I160-E165 HydrophobicContact CG2-CG 4.42Å; I160-E165 PolarHBondContact O-N 3.09Å |
| 161 | K | 98.6 | Very high | 98.3 | Very high | 58 Ų | 58 | 41 Ų | 41 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -65 | -60.5 | -171.1 | -170 | 66.9 | 64.3 | -167.4 | 0 | 111.5 | I137 F139 E156 H157 E165 L166 | I137-K161 HydrophobicContact CG2-CG 4.33Å; F139-K161 HydrophobicContact CE1-CD 3.97Å; F139-K161 HydrophobicContact CE1-CG 3.84Å; F139-K161 HydrophobicContact CZ-CD 3.91Å; F139-K161 HydrophobicContact CZ-CG 4.17Å; E156-K161 PolarHBondContact O-N 3.47Å; H157-K161 WeakPolarHBondContact O-CB 3.46Å; K161-E165 HydrophobicContact CD-CB 4.39Å; K161-E165 VanDerWaalsContact CD-OE2 3.32Å; K161-E165 WeakPolarHBondContact CD-OE2 3.28Å; K161-E165 WeakPolarHBondContact CE-OE1 3.46Å; K161-E165 WeakPolarHBondContact CE-OE2 3.29Å; K161-E165 IonicContact NZ-OE1 3.47Å; K161-E165 PolarHBondContact NZ-OE1 3.09Å; K161-E165 IonicContact NZ-OE2 3.52Å; K161-E165 PolarHBondContact NZ-OE2 3.1Å; K161-E165 WeakPolarHBondContact O-CB 3.22Å; K161-E165 PolarHBondContact O-N 3.48Å; K161-L166 HydrophobicContact CG-CD1 4.33Å; K161-L166 WeakPolarHBondContact O-CB 3.38Å; K161-L166 VanDerWaalsContact O-CG 3.29Å; K161-L166 WeakPolarHBondContact O-CG 3.46Å; K161-L166 PolarHBondContact O-N 2.93Å |
| 162 | M | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -65.6 | -52.9 | 179.9 | -72.4 | 178.3 | -169.2 | 0 | 0 | 111.5 | I137 P152 H157 V158 G167 I168 V171 Y204 Y246 | I137-M162 HydrophobicContact CD1-CE 3.49Å; I137-M162 VanDerWaalsContact CD1-CE 3.49Å; P152-M162 HydrophobicContact CB-CE 4.25Å; P152-M162 HydrophobicContact CG-CE 4.35Å; H157-M162 WeakPolarHBondContact O-CB 3.48Å; H157-M162 VanDerWaalsContact O-CG 3.25Å; H157-M162 WeakPolarHBondContact O-CG 3.45Å; H157-M162 PolarHBondContact O-N 2.82Å; V158-M162 HydrophobicContact CG2-SD 4.37Å; M162-G167 PolarHBondContact O-N 3.18Å; M162-I168 HydrophobicContact CB-CB 4.04Å; M162-I168 HydrophobicContact CB-CG1 4Å; M162-I168 HydrophobicContact CG-CG1 4.32Å; M162-I168 WeakPolarHBondContact O-CB 3.4Å; M162-I168 WeakPolarHBondContact O-CG1 3.33Å; M162-I168 PolarHBondContact O-N 3.35Å; M162-V171 HydrophobicContact SD-CG2 4.22Å; M162-Y204 HydrophobicContact SD-CE1 4.05Å; M162-Y246 HydrophobicContact CE-CD1 3.49Å; M162-Y246 VanDerWaalsContact CE-CD1 3.49Å; M162-Y246 HydrophobicContact CE-CE1 3.31Å; M162-Y246 HydrophobicContact CE-CE2 4.39Å; M162-Y246 HydrophobicContact CE-CG 4.12Å; M162-Y246 HydrophobicContact SD-CD1 4.19Å; M162-Y246 HydrophobicContact SD-CG 4.43Å |
| 163 | K | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 41 Ų | 41 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -68.5 | -53.2 | -171.8 | -175.4 | 177.3 | -179.3 | 164.5 | 0 | 113.5 | V158 T159 G167 C207 I209 | V158-K163 WeakPolarHBondContact O-CB 3.25Å; V158-K163 PolarHBondContact O-N 3.31Å; T159-K163 WeakPolarHBondContact O-CB 3.18Å; K163-G167 WeakPolarHBondContact O-CA 3.41Å; K163-C207 HydrophobicContact CD-CB 4.11Å; K163-C207 WeakPolarHBondContact CE-O 3.39Å; K163-C207 PolarHBondContact NZ-O 2.79Å; K163-I209 HydrophobicContact CB-CD1 4.19Å |
| 164 | H | 98 | Very high | 98.4 | Very high | 137 Ų | 137 | 40.4 Ų | 40.4 | 63% | 0.634 | 21% | 0.208 | S | C | * | . | I | π-helix | trans | -96 | -45.6 | -168.9 | -69.5 | -60.2 | 0 | 0 | 0 | 112.9 | T159 I160 | T159-H164 PolarHBondContact O-CD2 3.27Å; I160-H164 WeakPolarHBondContact O-CA 3.48Å; I160-H164 WeakPolarHBondContact O-CB 3.5Å; I160-H164 PolarHBondContact O-N 3.25Å |
| 165 | E | 98.3 | Very high | 98.5 | Very high | 113 Ų | 113 | 37 Ų | 37 | 53% | 0.528 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -77.8 | -44.3 | -176.3 | -62.5 | -177.2 | -139.5 | 0 | 0 | 112.8 | I160 K161 | I160-E165 HydrophobicContact CG2-CG 4.42Å; I160-E165 PolarHBondContact O-N 3.09Å; K161-E165 HydrophobicContact CD-CB 4.39Å; K161-E165 VanDerWaalsContact CD-OE2 3.32Å; K161-E165 WeakPolarHBondContact CD-OE2 3.28Å; K161-E165 WeakPolarHBondContact CE-OE1 3.46Å; K161-E165 WeakPolarHBondContact CE-OE2 3.29Å; K161-E165 IonicContact NZ-OE1 3.47Å; K161-E165 PolarHBondContact NZ-OE1 3.09Å; K161-E165 IonicContact NZ-OE2 3.52Å; K161-E165 PolarHBondContact NZ-OE2 3.1Å; K161-E165 WeakPolarHBondContact O-CB 3.22Å; K161-E165 PolarHBondContact O-N 3.48Å |
| 166 | L | 98.2 | Very high | 98.6 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -92.8 | -12.6 | -177.4 | -59.7 | -176.7 | 0 | 0 | 0 | 113.4 | F139 W147 K161 I168 | F139-L166 HydrophobicContact CD1-CD1 4.43Å; F139-L166 HydrophobicContact CD2-CD1 4.01Å; F139-L166 HydrophobicContact CD2-CD2 4.46Å; F139-L166 HydrophobicContact CE1-CD1 4.17Å; F139-L166 HydrophobicContact CE2-CD1 3.72Å; F139-L166 HydrophobicContact CE2-CD2 3.6Å; F139-L166 HydrophobicContact CE2-CG 4.25Å; F139-L166 HydrophobicContact CG-CD1 4.36Å; F139-L166 HydrophobicContact CZ-CD1 3.81Å; F139-L166 HydrophobicContact CZ-CD2 3.92Å; F139-L166 HydrophobicContact CZ-CG 4.3Å; W147-L166 HydrophobicContact CE3-CD1 4.44Å; W147-L166 HydrophobicContact CE3-CD2 4.29Å; W147-L166 HydrophobicContact CH2-CD2 3.57Å; W147-L166 HydrophobicContact CZ2-CD2 3.89Å; W147-L166 HydrophobicContact CZ3-CD2 3.78Å; K161-L166 HydrophobicContact CG-CD1 4.33Å; K161-L166 WeakPolarHBondContact O-CB 3.38Å; K161-L166 VanDerWaalsContact O-CG 3.29Å; K161-L166 WeakPolarHBondContact O-CG 3.46Å; K161-L166 PolarHBondContact O-N 2.93Å; L166-I168 VanDerWaalsContact C-N 3.28Å; L166-I168 HydrophobicContact CB-CD1 4.02Å; L166-I168 HydrophobicContact CB-CG1 3.78Å; L166-I168 HydrophobicContact CD1-CG1 4.47Å; L166-I168 PolarHBondContact O-N 3.41Å |
| 167 | G | 98.5 | Very high | 98.6 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | trans | 60.5 | 35.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M162 K163 S244 | M162-G167 PolarHBondContact O-N 3.18Å; K163-G167 WeakPolarHBondContact O-CA 3.41Å; G167-S244 VanDerWaalsContact O-CB 3.3Å; G167-S244 WeakPolarHBondContact O-CB 3.3Å | ||
| 168 | I | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -70.6 | 129.6 | 178.8 | -58.5 | -54.5 | 0 | 0 | 0 | 109.6 | W147 M162 L166 A170 V171 I209 Y246 | W147-I168 HydrophobicContact CB-CD1 4.37Å; W147-I168 HydrophobicContact CG-CD1 3.89Å; M162-I168 HydrophobicContact CB-CB 4.04Å; M162-I168 HydrophobicContact CB-CG1 4Å; M162-I168 HydrophobicContact CG-CG1 4.32Å; M162-I168 WeakPolarHBondContact O-CB 3.4Å; M162-I168 WeakPolarHBondContact O-CG1 3.33Å; M162-I168 PolarHBondContact O-N 3.35Å; L166-I168 VanDerWaalsContact C-N 3.28Å; L166-I168 HydrophobicContact CB-CD1 4.02Å; L166-I168 HydrophobicContact CB-CG1 3.78Å; L166-I168 HydrophobicContact CD1-CG1 4.47Å; L166-I168 PolarHBondContact O-N 3.41Å; I168-A170 WeakPolarHBondContact CG2-O 3.45Å; I168-V171 HydrophobicContact CG2-CG2 4Å; I168-I209 HydrophobicContact CG2-CG2 4.49Å; I168-Y246 HydrophobicContact CD1-CD2 4.44Å | ||
| 169 | T | 98.9 | Very high | 98.6 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | trans | -114.1 | -15.9 | 178.4 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | V210 H243 S244 | T169-V210 PolarHBondContact O-N 3Å; T169-H243 WeakPolarHBondContact OG1-CA 3.27Å; T169-H243 WeakPolarHBondContact OG1-CB 3.38Å; T169-H243 PolarHBondContact OG1-ND1 2.59Å; T169-H243 VanDerWaalsContact OG1-ND1 3.12Å; T169-S244 PolarHBondContact N-O 3.32Å; T169-S244 PolarHBondContact OG1-N 3.39Å; T169-S244 PolarHBondContact OG1-O 3.46Å | ||
| 170 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I168 V210 L238 H243 S244 V245 Y246 | I168-A170 WeakPolarHBondContact CG2-O 3.45Å; A170-V210 CarbonylContact C-O 3.53Å; A170-V210 WeakPolarHBondContact CA-O 3.26Å; A170-V210 HydrophobicContact CB-CB 3.91Å; A170-V210 HydrophobicContact CB-CG1 4.39Å; A170-L238 HydrophobicContact CB-CD1 4.22Å; A170-L238 HydrophobicContact CB-CD2 4.05Å; A170-H243 HydrophobicContact CB-CB 3.77Å; A170-S244 PolarHBondContact N-O 3.06Å; A170-V245 HydrophobicContact CB-CG1 4.49Å; A170-V245 HydrophobicContact CB-CG2 4.34Å; A170-V245 CarbonylContact O-C 3.49Å; A170-V245 VanDerWaalsContact O-CA 3.29Å; A170-V245 WeakPolarHBondContact O-CA 3.45Å; A170-Y246 PolarHBondContact O-N 2.98Å |
| 171 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135 | 178.6 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | M162 I168 Y204 I209 V210 Y211 V212 Y246 | M162-V171 HydrophobicContact SD-CG2 4.22Å; I168-V171 HydrophobicContact CG2-CG2 4Å; V171-Y204 HydrophobicContact CB-CE1 4.36Å; V171-Y204 HydrophobicContact CG1-CE1 4.45Å; V171-Y204 HydrophobicContact CG1-CE2 4.21Å; V171-Y204 HydrophobicContact CG2-CD1 4.24Å; V171-Y204 HydrophobicContact CG2-CE1 3.73Å; V171-I209 HydrophobicContact CB-CG2 4.34Å; V171-I209 HydrophobicContact CG2-CG2 3.7Å; V171-V210 PolarHBondContact N-O 3.27Å; V171-Y211 HydrophobicContact CB-CD2 4.02Å; V171-Y211 HydrophobicContact CG1-CD2 3.82Å; V171-Y211 HydrophobicContact CG1-CE2 3.93Å; V171-V212 PolarHBondContact O-N 2.95Å; V171-Y246 WeakPolarHBondContact CA-O 3.49Å |
| 172 | V | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.7 | 169.3 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | F174 V212 L214 L235 L238 V245 Y246 V247 H248 | V172-F174 HydrophobicContact CG1-CE1 4.04Å; V172-F174 HydrophobicContact CG1-CE2 3.78Å; V172-F174 HydrophobicContact CG1-CZ 3.45Å; V172-F174 VanDerWaalsContact CG1-CZ 3.45Å; V172-V212 WeakPolarHBondContact CA-O 3.38Å; V172-V212 HydrophobicContact CG1-CG1 4.43Å; V172-V212 HydrophobicContact CG2-CB 4.33Å; V172-L214 HydrophobicContact CG1-CD1 4.37Å; V172-L235 HydrophobicContact CG2-CD1 4.45Å; V172-L238 HydrophobicContact CG2-CD1 3.6Å; V172-V245 HydrophobicContact CG2-CG1 3.85Å; V172-Y246 PolarHBondContact N-O 2.81Å; V172-V247 HydrophobicContact CB-CG1 4.4Å; V172-H248 PolarHBondContact O-N 2.89Å |
| 173 | N | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.1 | -176.1 | -176.5 | 9 | 0 | 0 | 0 | 111.6 | Q175 Y211 V212 L214 H248 | N173-Q175 PolarHBondContact ND2-OE1 3.2Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.26Å; N173-Q175 WeakPolarHBondContact OD1-CG 3.32Å; N173-Q175 PolarHBondContact OD1-N 3.04Å; N173-Q175 PolarHBondContact OD1-OE1 3.42Å; N173-Y211 HydrophobicContact CB-CE2 3.61Å; N173-Y211 PolarHBondContact ND2-OH 2.87Å; N173-V212 PolarHBondContact N-O 3.37Å; N173-L214 PolarHBondContact O-N 3.4Å; N173-H248 PolarHBondContact OD1-CE1 3.26Å |
| 174 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -100.8 | 1.7 | 177.5 | -59.3 | -74.1 | 0 | 0 | 0 | 114.8 | V172 L214 T216 M227 A231 V247 H248 C249 R255 A259 | V172-F174 HydrophobicContact CG1-CE1 4.04Å; V172-F174 HydrophobicContact CG1-CE2 3.78Å; V172-F174 HydrophobicContact CG1-CZ 3.45Å; V172-F174 VanDerWaalsContact CG1-CZ 3.45Å; F174-L214 WeakPolarHBondContact CA-O 3.25Å; F174-L214 HydrophobicContact CD1-CB 3.93Å; F174-L214 HydrophobicContact CE1-CB 4.03Å; F174-L214 HydrophobicContact CE1-CD1 3.91Å; F174-T216 PolarHBondContact O-N 2.78Å; F174-M227 HydrophobicContact CD1-CE 3.95Å; F174-M227 HydrophobicContact CD1-CG 4.1Å; F174-M227 HydrophobicContact CD1-SD 3.87Å; F174-M227 HydrophobicContact CE1-CE 4.01Å; F174-M227 HydrophobicContact CE1-CG 4.03Å; F174-M227 HydrophobicContact CE1-SD 3.44Å; F174-M227 WeakPolarHBondContact CE1-SD 3.33Å; F174-M227 HydrophobicContact CZ-SD 4.17Å; F174-A231 HydrophobicContact CE1-CB 3.65Å; F174-A231 HydrophobicContact CZ-CB 3.86Å; F174-V247 HydrophobicContact CD2-CG1 4.47Å; F174-V247 HydrophobicContact CE2-CG1 3.61Å; F174-V247 HydrophobicContact CZ-CG1 4.46Å; F174-H248 WeakPolarHBondContact CD2-O 3.42Å; F174-H248 PolarHBondContact N-O 3.02Å; F174-C249 HydrophobicContact CB-CB 4.32Å; F174-R255 HydrophobicContact CB-CB 3.8Å; F174-R255 HydrophobicContact CG-CB 4.29Å; F174-R255 PolarHBondContact O-NH1 3.37Å; F174-A259 HydrophobicContact CE1-CB 4.35Å; F174-A259 HydrophobicContact CE2-CB 3.67Å; F174-A259 HydrophobicContact CZ-CB 3.39Å | ||
| 175 | Q | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -59.8 | 139.7 | 176.6 | -71 | -177.6 | -67.8 | 0 | 0 | 110.8 | C151 N173 D179 I180 W213 P215 H248 N250 | C151-Q175 VanDerWaalsContact CB-NE2 3.31Å; C151-Q175 PolarHBondContact SG-NE2 3.45Å; N173-Q175 PolarHBondContact ND2-OE1 3.2Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.26Å; N173-Q175 WeakPolarHBondContact OD1-CG 3.32Å; N173-Q175 PolarHBondContact OD1-N 3.04Å; N173-Q175 PolarHBondContact OD1-OE1 3.42Å; Q175-D179 HydrophobicContact CB-CB 3.63Å; Q175-D179 HydrophobicContact CG-CB 3.94Å; Q175-I180 HydrophobicContact CB-CD1 4.46Å; Q175-I180 HydrophobicContact CB-CG1 3.79Å; Q175-W213 PolarHBondContact O-NE1 3.27Å; Q175-P215 WeakPolarHBondContact O-CA 3.22Å; Q175-H248 PolarHBondContact OE1-CE1 3.33Å; Q175-N250 WeakPolarHBondContact CG-OD1 3.11Å; Q175-N250 PolarHBondContact NE2-OD1 3.06Å | ||
| 176 | T | 98.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | trans | -70.2 | 171.7 | 164.4 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | W178 D179 I180 | T176-W178 VanDerWaalsContact C-N 3.32Å; T176-W178 PolarHBondContact O-N 3.32Å; T176-D179 PolarHBondContact N-OD2 3.46Å; T176-D179 WeakPolarHBondContact O-CB 3.23Å; T176-D179 PolarHBondContact O-N 2.9Å; T176-D179 WeakPolarHBondContact OG1-CB 3.48Å; T176-D179 PolarHBondContact OG1-N 2.77Å; T176-D179 PolarHBondContact OG1-OD2 3.42Å; T176-I180 WeakPolarHBondContact O-CG1 3.42Å; T176-I180 PolarHBondContact O-N 3.47Å; T176-I180 VanDerWaalsContact O-N 3.1Å | ||
| 177 | E | 98.4 | Very high | 97.7 | Very high | 120 Ų | 120 | 31.9 Ų | 31.9 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -57.1 | -47.3 | 172.1 | 176.7 | 173.1 | -169.2 | 0 | 0 | 111.7 | D179 I180 V181 P197 W213 | E177-D179 VanDerWaalsContact C-N 3.3Å; E177-D179 PolarHBondContact O-N 2.63Å; E177-I180 WeakPolarHBondContact O-CB 3.24Å; E177-I180 PolarHBondContact O-N 2.78Å; E177-I180 VanDerWaalsContact O-N 3.09Å; E177-V181 WeakPolarHBondContact O-CG2 3.42Å; E177-V181 PolarHBondContact O-N 3.22Å; E177-P197 HydrophobicContact CB-CG 4.07Å; E177-P197 HydrophobicContact CG-CG 3.81Å; E177-W213 HydrophobicContact CB-CZ2 4.49Å |
| 178 | W | 98 | Very high | 97.3 | Very high | 182 Ų | 182 | 33.2 Ų | 33.2 | 69% | 0.689 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -60.3 | -39.9 | 178.9 | -171.7 | 78.8 | 0 | 0 | 0 | 112.4 | T176 I180 V181 N182 | T176-W178 VanDerWaalsContact C-N 3.32Å; T176-W178 PolarHBondContact O-N 3.32Å; W178-I180 PolarHBondContact O-N 2.91Å; W178-V181 PolarHBondContact O-N 3.36Å; W178-N182 VanDerWaalsContact CE3-ND2 3.28Å; W178-N182 VanDerWaalsContact CH2-ND2 3.29Å; W178-N182 WeakPolarHBondContact CH2-ND2 3.39Å; W178-N182 WeakPolarHBondContact CZ2-ND2 3.32Å; W178-N182 WeakPolarHBondContact CZ3-ND2 3.42Å; W178-N182 PolarHBondContact NE1-ND2 2.88Å; W178-N182 WeakPolarHBondContact O-CB 3.44Å; W178-N182 VanDerWaalsContact O-CG 3.3Å; W178-N182 PolarHBondContact O-N 2.97Å; W178-N182 PolarHBondContact O-ND2 3.25Å |
| 179 | D | 98.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 173.6 | -73 | -39.5 | 0 | 0 | 0 | 112.3 | Q175 T176 E177 N182 N183 N250 R255 | Q175-D179 HydrophobicContact CB-CB 3.63Å; Q175-D179 HydrophobicContact CG-CB 3.94Å; T176-D179 PolarHBondContact N-OD2 3.46Å; T176-D179 WeakPolarHBondContact O-CB 3.23Å; T176-D179 PolarHBondContact O-N 2.9Å; T176-D179 WeakPolarHBondContact OG1-CB 3.48Å; T176-D179 PolarHBondContact OG1-N 2.77Å; T176-D179 PolarHBondContact OG1-OD2 3.42Å; E177-D179 VanDerWaalsContact C-N 3.3Å; E177-D179 PolarHBondContact O-N 2.63Å; D179-N182 PolarHBondContact O-N 3.11Å; D179-N183 VanDerWaalsContact O-CB 3.28Å; D179-N183 WeakPolarHBondContact O-CB 3.34Å; D179-N183 PolarHBondContact O-N 2.87Å; D179-N183 PolarHBondContact O-ND2 3.22Å; D179-N250 VanDerWaalsContact CB-OD1 3.3Å; D179-N250 WeakPolarHBondContact CB-OD1 3.07Å; D179-N250 VanDerWaalsContact CG-ND2 3.33Å; D179-N250 PolarHBondContact OD1-ND2 3.37Å; D179-R255 IonicContact OD1-NH2 3.65Å; D179-R255 IonicContact OD2-CZ 2.96Å; D179-R255 IonicContact OD2-NH1 2.66Å; D179-R255 PolarHBondContact OD2-NH1 3.05Å; D179-R255 IonicContact OD2-NH2 3.42Å; D179-R255 PolarHBondContact OD2-NH2 3.32Å |
| 180 | I | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 179.3 | -70.2 | 171.6 | 0 | 0 | 0 | 110.1 | Q175 T176 E177 W178 N182 N183 S184 M195 P197 L200 W213 | Q175-I180 HydrophobicContact CB-CD1 4.46Å; Q175-I180 HydrophobicContact CB-CG1 3.79Å; T176-I180 WeakPolarHBondContact O-CG1 3.42Å; T176-I180 PolarHBondContact O-N 3.47Å; T176-I180 VanDerWaalsContact O-N 3.1Å; E177-I180 WeakPolarHBondContact O-CB 3.24Å; E177-I180 PolarHBondContact O-N 2.78Å; E177-I180 VanDerWaalsContact O-N 3.09Å; W178-I180 PolarHBondContact O-N 2.91Å; I180-N182 VanDerWaalsContact C-N 3.3Å; I180-N182 PolarHBondContact O-N 3.48Å; I180-N183 PolarHBondContact O-N 3.28Å; I180-S184 WeakPolarHBondContact O-CA 3.05Å; I180-S184 WeakPolarHBondContact O-CB 3.43Å; I180-S184 PolarHBondContact O-N 2.85Å; I180-M195 HydrophobicContact CG2-CE 3.5Å; I180-M195 HydrophobicContact CG2-CG 4.24Å; I180-P197 HydrophobicContact CD1-CB 4.06Å; I180-P197 HydrophobicContact CD1-CG 4.17Å; I180-L200 HydrophobicContact CD1-CD2 4.43Å; I180-L200 HydrophobicContact CG1-CD2 4.47Å; I180-L200 HydrophobicContact CG2-CD2 4.47Å; I180-W213 HydrophobicContact CD1-CZ2 4.12Å |
| 181 | V | 96.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.1 | -45.3 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | E177 W178 | E177-V181 WeakPolarHBondContact O-CG2 3.42Å; E177-V181 PolarHBondContact O-N 3.22Å; W178-V181 PolarHBondContact O-N 3.36Å |
| 182 | N | 96.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 59 Ų | 59 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.9 | -37 | -175.5 | -71.2 | -27 | 0 | 0 | 0 | 114.1 | W178 D179 I180 | W178-N182 VanDerWaalsContact CE3-ND2 3.28Å; W178-N182 VanDerWaalsContact CH2-ND2 3.29Å; W178-N182 WeakPolarHBondContact CH2-ND2 3.39Å; W178-N182 WeakPolarHBondContact CZ2-ND2 3.32Å; W178-N182 WeakPolarHBondContact CZ3-ND2 3.42Å; W178-N182 PolarHBondContact NE1-ND2 2.88Å; W178-N182 WeakPolarHBondContact O-CB 3.44Å; W178-N182 VanDerWaalsContact O-CG 3.3Å; W178-N182 PolarHBondContact O-N 2.97Å; W178-N182 PolarHBondContact O-ND2 3.25Å; D179-N182 PolarHBondContact O-N 3.11Å; I180-N182 VanDerWaalsContact C-N 3.3Å; I180-N182 PolarHBondContact O-N 3.48Å |
| 183 | N | 97.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -102.1 | -26.5 | -169.9 | -78 | -82.9 | 0 | 0 | 0 | 114.3 | Y128 C151 R153 D179 I180 N250 | Y128-N183 WeakPolarHBondContact CE2-OD1 3.31Å; Y128-N183 PolarHBondContact OH-ND2 3.08Å; Y128-N183 PolarHBondContact OH-OD1 3.45Å; C151-N183 VanDerWaalsContact SG-CB 3.54Å; R153-N183 WeakPolarHBondContact CG-O 3.49Å; R153-N183 PolarHBondContact NH2-OD1 3.4Å; R153-N183 VanDerWaalsContact NH2-OD1 3.09Å; D179-N183 VanDerWaalsContact O-CB 3.28Å; D179-N183 WeakPolarHBondContact O-CB 3.34Å; D179-N183 PolarHBondContact O-N 2.87Å; D179-N183 PolarHBondContact O-ND2 3.22Å; I180-N183 PolarHBondContact O-N 3.28Å; N183-N250 PolarHBondContact ND2-OD1 2.98Å |
| 184 | S | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -114.7 | 15.9 | -168.4 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | P152 I180 G186 C187 | P152-S184 PolarHBondContact O-OG 2.99Å; I180-S184 WeakPolarHBondContact O-CA 3.05Å; I180-S184 WeakPolarHBondContact O-CB 3.43Å; I180-S184 PolarHBondContact O-N 2.85Å; S184-G186 PolarHBondContact O-N 3.22Å; S184-G186 VanDerWaalsContact O-N 3.15Å; S184-C187 VanDerWaalsContact O-CB 3.24Å; S184-C187 WeakPolarHBondContact O-CB 3.35Å; S184-C187 PolarHBondContact O-N 3.15Å | ||
| 185 | S | 93.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 69 Ų | 69 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -61.2 | -23.2 | -178.3 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | C187 R188 | S185-C187 PolarHBondContact O-N 3.44Å; S185-R188 WeakPolarHBondContact O-CG 3.16Å; S185-R188 PolarHBondContact O-NE 3.41Å; S185-R188 PolarHBondContact O-NH2 2.91Å |
| 186 | G | 94.7 | Very high | 92 | Very high | 30 Ų | 30 | 70.7 Ų | 70.7 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -78 | -0.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R153 Q154 V155 S184 | R153-G186 CarbonylContact O-C 3.52Å; R153-G186 WeakPolarHBondContact O-CA 3.28Å; Q154-G186 WeakPolarHBondContact CA-O 3.39Å; V155-G186 PolarHBondContact N-O 2.79Å; S184-G186 PolarHBondContact O-N 3.22Å; S184-G186 VanDerWaalsContact O-N 3.15Å |
| 187 | C | 95.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -92.8 | 5.4 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 113 | S184 S185 L200 L203 | S184-C187 VanDerWaalsContact O-CB 3.24Å; S184-C187 WeakPolarHBondContact O-CB 3.35Å; S184-C187 PolarHBondContact O-N 3.15Å; S185-C187 PolarHBondContact O-N 3.44Å; C187-L200 HydrophobicContact CB-CD1 4.08Å; C187-L203 HydrophobicContact CB-CD2 3.92Å |
| 188 | R | 89.4 | Confident | 91.7 | Very high | 64 Ų | 64 | 68.5 Ų | 68.5 | 24% | 0.242 | 35% | 0.345 | C | S | . | . | trans | -67.5 | 142 | 177.6 | -71.7 | 178.8 | -83.6 | 179.6 | -0.5 | 110.9 | S185 E193 M195 | S185-R188 WeakPolarHBondContact O-CG 3.16Å; S185-R188 PolarHBondContact O-NE 3.41Å; S185-R188 PolarHBondContact O-NH2 2.91Å; R188-E193 WeakPolarHBondContact CD-O 3.25Å; R188-E193 PolarHBondContact NH1-O 2.92Å; R188-M195 HydrophobicContact CG-CB 4.11Å; R188-M195 HydrophobicContact CG-CG 4.42Å; R188-M195 HydrophobicContact CG-SD 3.45Å; R188-M195 WeakPolarHBondContact CG-SD 3.33Å | ||
| 189 | R | 76.5 | Confident | 91.5 | Very high | 214 Ų | 214 | 60.8 Ų | 60.8 | 81% | 0.808 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -73.4 | -40.4 | 172.8 | -175.8 | 175.3 | 176.3 | 166.6 | -6.6 | 112.1 | D206 | R189-D206 IonicContact NH1-OD2 2.73Å; R189-D206 PolarHBondContact NH1-OD2 3.16Å |
| 190 | N | 81.8 | Confident | 91.4 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -116.6 | 125.8 | 175.7 | -174.9 | -2 | 0 | 0 | 0 | 109.1 | E192 E193 | N190-E192 PolarHBondContact O-N 3.45Å; N190-E192 WeakPolarHBondContact OD1-CB 3.45Å; N190-E192 PolarHBondContact OD1-N 2.79Å; N190-E193 HydrophobicContact CB-CB 4.39Å; N190-E193 HydrophobicContact CB-CG 4.11Å; N190-E193 PolarHBondContact O-N 2.99Å |
| 191 | H | 78.3 | Confident | 91.3 | Very high | 151 Ų | 151 | 64.7 Ų | 64.7 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.7 | 178.3 | -73.4 | -68.2 | 0 | 0 | 0 | 113.3 | ||
| 192 | E | 81.8 | Confident | 91.3 | Very high | 178 Ų | 178 | 66.8 Ų | 66.8 | 83% | 0.832 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -19.2 | 177.9 | -58.8 | -178.9 | 166.8 | 0 | 0 | 113 | N190 | N190-E192 PolarHBondContact O-N 3.45Å; N190-E192 WeakPolarHBondContact OD1-CB 3.45Å; N190-E192 PolarHBondContact OD1-N 2.79Å |
| 193 | E | 83.4 | Confident | 91.3 | Very high | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -85.6 | 147.6 | 178.3 | -72.3 | 172.7 | -156.5 | 0 | 0 | 111.5 | R188 N190 | R188-E193 WeakPolarHBondContact CD-O 3.25Å; R188-E193 PolarHBondContact NH1-O 2.92Å; N190-E193 HydrophobicContact CB-CB 4.39Å; N190-E193 HydrophobicContact CB-CG 4.11Å; N190-E193 PolarHBondContact O-N 2.99Å |
| 194 | A | 88.8 | Confident | 91.3 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 67% | 0.669 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -68 | 145.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 195 | M | 93.5 | Very high | 91.3 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.4 | 173.5 | -174.5 | 61.2 | -164.5 | 0 | 0 | 109 | I180 R188 A199 L200 | I180-M195 HydrophobicContact CG2-CE 3.5Å; I180-M195 HydrophobicContact CG2-CG 4.24Å; R188-M195 HydrophobicContact CG-CB 4.11Å; R188-M195 HydrophobicContact CG-CG 4.42Å; R188-M195 HydrophobicContact CG-SD 3.45Å; R188-M195 WeakPolarHBondContact CG-SD 3.33Å; M195-A199 HydrophobicContact CE-CB 4.38Å; M195-A199 HydrophobicContact SD-CB 4.19Å; M195-L200 HydrophobicContact CE-CB 3.84Å; M195-L200 HydrophobicContact CE-CD1 4.46Å |
| 196 | S | 95.3 | Very high | 91.5 | Very high | 37 Ų | 37 | 72.9 Ų | 72.9 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | trans | -145.4 | 163.3 | 176.1 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | D198 A199 L200 | S196-D198 PolarHBondContact O-N 3.33Å; S196-D198 PolarHBondContact OG-N 3.49Å; S196-A199 WeakPolarHBondContact O-CB 3.38Å; S196-A199 PolarHBondContact O-N 2.85Å; S196-A199 PolarHBondContact OG-N 3.49Å; S196-A199 VanDerWaalsContact OG-N 3.16Å; S196-L200 PolarHBondContact O-N 2.94Å | ||
| 197 | P | 96.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 72 Ų | 72 | 7% | 0.065 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.9 | -37.8 | 170.4 | -25.7 | 35.7 | 0 | 0 | 0 | 112.9 | E177 I180 A199 L200 M201 W213 | E177-P197 HydrophobicContact CB-CG 4.07Å; E177-P197 HydrophobicContact CG-CG 3.81Å; I180-P197 HydrophobicContact CD1-CB 4.06Å; I180-P197 HydrophobicContact CD1-CG 4.17Å; P197-A199 PolarHBondContact O-N 3.36Å; P197-L200 PolarHBondContact O-N 3.33Å; P197-M201 PolarHBondContact O-N 3.01Å; P197-W213 HydrophobicContact CB-CD2 4.45Å; P197-W213 HydrophobicContact CB-CE3 4.07Å; P197-W213 HydrophobicContact CB-CH2 3.45Å; P197-W213 VanDerWaalsContact CB-CH2 3.45Å; P197-W213 HydrophobicContact CB-CZ2 3.86Å; P197-W213 HydrophobicContact CB-CZ3 3.55Å; P197-W213 HydrophobicContact CG-CH2 3.42Å; P197-W213 VanDerWaalsContact CG-CH2 3.42Å; P197-W213 HydrophobicContact CG-CZ2 3.77Å; P197-W213 HydrophobicContact CG-CZ3 4.04Å |
| 198 | D | 95.1 | Very high | 91.8 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 178.2 | -67.1 | -25.6 | 0 | 0 | 0 | 112.4 | S196 L200 M201 H202 | S196-D198 PolarHBondContact O-N 3.33Å; S196-D198 PolarHBondContact OG-N 3.49Å; D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 2.78Å; D198-M201 PolarHBondContact O-N 3.18Å; D198-H202 VanDerWaalsContact O-CG 3.31Å; D198-H202 PolarHBondContact O-N 2.82Å; D198-H202 PolarHBondContact O-ND1 3.25Å |
| 199 | A | 94.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M195 S196 P197 L203 | M195-A199 HydrophobicContact CE-CB 4.38Å; M195-A199 HydrophobicContact SD-CB 4.19Å; S196-A199 WeakPolarHBondContact O-CB 3.38Å; S196-A199 PolarHBondContact O-N 2.85Å; S196-A199 PolarHBondContact OG-N 3.49Å; S196-A199 VanDerWaalsContact OG-N 3.16Å; P197-A199 PolarHBondContact O-N 3.36Å; A199-L203 PolarHBondContact O-N 3.4Å; A199-L203 VanDerWaalsContact O-N 3.1Å |
| 200 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 177 | -167 | 63.8 | 0 | 0 | 0 | 111.9 | P152 I180 C187 M195 S196 P197 D198 H202 L203 Y204 | P152-L200 HydrophobicContact CG-CD1 4.24Å; I180-L200 HydrophobicContact CD1-CD2 4.43Å; I180-L200 HydrophobicContact CG1-CD2 4.47Å; I180-L200 HydrophobicContact CG2-CD2 4.47Å; C187-L200 HydrophobicContact CB-CD1 4.08Å; M195-L200 HydrophobicContact CE-CB 3.84Å; M195-L200 HydrophobicContact CE-CD1 4.46Å; S196-L200 PolarHBondContact O-N 2.94Å; P197-L200 PolarHBondContact O-N 3.33Å; D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 2.78Å; L200-H202 PolarHBondContact O-N 2.95Å; L200-L203 HydrophobicContact CD1-CD2 4.36Å; L200-L203 PolarHBondContact O-N 3.29Å; L200-Y204 HydrophobicContact CD1-CE2 3.97Å; L200-Y204 HydrophobicContact CD2-CE2 4.02Å; L200-Y204 HydrophobicContact CG-CD2 4.1Å; L200-Y204 HydrophobicContact CG-CE2 3.6Å; L200-Y204 WeakPolarHBondContact O-CD2 3.25Å; L200-Y204 PolarHBondContact O-N 3.32Å; L200-Y204 VanDerWaalsContact O-N 3.1Å |
| 201 | M | 96.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 64.4 Ų | 64.4 | 45% | 0.453 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.6 | 178.7 | 173.9 | 137.6 | 0 | 0 | 111.7 | P197 D198 Y204 K205 Y211 | P197-M201 PolarHBondContact O-N 3.01Å; D198-M201 PolarHBondContact O-N 3.18Å; M201-Y204 PolarHBondContact O-N 2.9Å; M201-K205 WeakPolarHBondContact O-CB 3.12Å; M201-K205 PolarHBondContact O-N 3.2Å; M201-Y211 HydrophobicContact CB-CD1 4.03Å; M201-Y211 HydrophobicContact CB-CE1 4.18Å; M201-Y211 HydrophobicContact CG-CD1 4.16Å |
| 202 | H | 96.1 | Very high | 95.1 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.9 | -69.4 | 144.3 | 0 | 0 | 0 | 112.1 | D198 L200 Y204 K205 D206 | D198-H202 VanDerWaalsContact O-CG 3.31Å; D198-H202 PolarHBondContact O-N 2.82Å; D198-H202 PolarHBondContact O-ND1 3.25Å; L200-H202 PolarHBondContact O-N 2.95Å; H202-Y204 PolarHBondContact O-N 3.04Å; H202-K205 WeakPolarHBondContact O-CB 3.48Å; H202-K205 PolarHBondContact O-N 3.27Å; H202-D206 WeakPolarHBondContact O-CB 3.3Å; H202-D206 PolarHBondContact O-N 2.68Å |
| 203 | L | 96.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.3 | 176.8 | 60.3 | 0 | 0 | 0 | 112.2 | V155 V158 T159 C187 A199 L200 C207 | V155-L203 HydrophobicContact CG1-CD1 4.08Å; V158-L203 HydrophobicContact CB-CD2 3.9Å; V158-L203 HydrophobicContact CB-CG 4.17Å; V158-L203 HydrophobicContact CG1-CD2 4.32Å; V158-L203 HydrophobicContact CG1-CG 4.07Å; V158-L203 HydrophobicContact CG2-CD2 3.73Å; V158-L203 HydrophobicContact CG2-CG 4.38Å; T159-L203 HydrophobicContact CG2-CD1 4.06Å; C187-L203 HydrophobicContact CB-CD2 3.92Å; A199-L203 PolarHBondContact O-N 3.4Å; A199-L203 VanDerWaalsContact O-N 3.1Å; L200-L203 HydrophobicContact CD1-CD2 4.36Å; L200-L203 PolarHBondContact O-N 3.29Å; L203-C207 PolarHBondContact O-N 3.39Å; L203-C207 VanDerWaalsContact O-N 3.13Å; L203-C207 PolarHBondContact O-SG 3.08Å |
| 204 | Y | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.5 | -71.2 | -56.5 | 0 | 0 | 0 | 112.4 | V158 M162 V171 L200 M201 H202 C207 G208 I209 Y211 | V158-Y204 HydrophobicContact CB-CE1 4.28Å; V158-Y204 HydrophobicContact CG1-CD1 3.52Å; V158-Y204 HydrophobicContact CG1-CE1 3.5Å; V158-Y204 HydrophobicContact CG2-CD1 4.5Å; V158-Y204 HydrophobicContact CG2-CE1 3.76Å; M162-Y204 HydrophobicContact SD-CE1 4.05Å; V171-Y204 HydrophobicContact CB-CE1 4.36Å; V171-Y204 HydrophobicContact CG1-CE1 4.45Å; V171-Y204 HydrophobicContact CG1-CE2 4.21Å; V171-Y204 HydrophobicContact CG2-CD1 4.24Å; V171-Y204 HydrophobicContact CG2-CE1 3.73Å; L200-Y204 HydrophobicContact CD1-CE2 3.97Å; L200-Y204 HydrophobicContact CD2-CE2 4.02Å; L200-Y204 HydrophobicContact CG-CD2 4.1Å; L200-Y204 HydrophobicContact CG-CE2 3.6Å; L200-Y204 WeakPolarHBondContact O-CD2 3.25Å; L200-Y204 PolarHBondContact O-N 3.32Å; L200-Y204 VanDerWaalsContact O-N 3.1Å; M201-Y204 PolarHBondContact O-N 2.9Å; H202-Y204 PolarHBondContact O-N 3.04Å; Y204-C207 CarbonylContact O-C 3.56Å; Y204-C207 WeakPolarHBondContact O-CA 3.4Å; Y204-C207 WeakPolarHBondContact O-CB 3.32Å; Y204-C207 PolarHBondContact O-N 2.83Å; Y204-C207 VanDerWaalsContact O-N 3.11Å; Y204-G208 PolarHBondContact O-N 2.99Å; Y204-G208 VanDerWaalsContact O-N 3.08Å; Y204-I209 HydrophobicContact CD1-CB 4.13Å; Y204-I209 HydrophobicContact CD1-CD1 4.28Å; Y204-I209 HydrophobicContact CD1-CG2 3.96Å; Y204-I209 PolarHBondContact O-N 2.71Å; Y204-Y211 HydrophobicContact CD2-CD1 4.12Å; Y204-Y211 AromaticContact CD2-CD2 3.26Å; Y204-Y211 HydrophobicContact CD2-CD2 3.26Å; Y204-Y211 HydrophobicContact CD2-CE1 4.38Å; Y204-Y211 AromaticContact CD2-CE2 3.6Å; Y204-Y211 HydrophobicContact CD2-CE2 3.6Å; Y204-Y211 AromaticContact CD2-CG 3.56Å; Y204-Y211 HydrophobicContact CD2-CG 3.56Å; Y204-Y211 AromaticContact CE2-CD2 3.4Å; Y204-Y211 HydrophobicContact CE2-CD2 3.4Å; Y204-Y211 AromaticContact CE2-CE2 3.3Å; Y204-Y211 HydrophobicContact CE2-CE2 3.3Å; Y204-Y211 HydrophobicContact CE2-CG 4.16Å; Y204-Y211 AromaticContact CE2-CZ 3.99Å; Y204-Y211 HydrophobicContact CG-CD2 4.12Å; Y204-Y211 HydrophobicContact CG-CG 4.27Å |
| 205 | K | 97.9 | Very high | 97.1 | Very high | 148 Ų | 148 | 50.4 Ų | 50.4 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.6 | -47.6 | 176.1 | -175.9 | -179.7 | 178.1 | -177.7 | 0 | 111.7 | M201 H202 C207 G208 | M201-K205 WeakPolarHBondContact O-CB 3.12Å; M201-K205 PolarHBondContact O-N 3.2Å; H202-K205 WeakPolarHBondContact O-CB 3.48Å; H202-K205 PolarHBondContact O-N 3.27Å; K205-C207 PolarHBondContact O-N 2.91Å; K205-G208 PolarHBondContact O-N 2.84Å |
| 206 | D | 97.1 | Very high | 97.3 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -29.2 | 176.5 | -72 | -8.3 | 0 | 0 | 0 | 111.4 | R189 H202 | R189-D206 IonicContact NH1-OD2 2.73Å; R189-D206 PolarHBondContact NH1-OD2 3.16Å; H202-D206 WeakPolarHBondContact O-CB 3.3Å; H202-D206 PolarHBondContact O-N 2.68Å |
| 207 | C | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.081 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -80.8 | -12.5 | 175.2 | -70.1 | 0 | 0 | 0 | 0 | 114.3 | V158 K163 L203 Y204 K205 I209 | V158-C207 HydrophobicContact CG1-CB 4.46Å; K163-C207 HydrophobicContact CD-CB 4.11Å; K163-C207 WeakPolarHBondContact CE-O 3.39Å; K163-C207 PolarHBondContact NZ-O 2.79Å; L203-C207 PolarHBondContact O-N 3.39Å; L203-C207 VanDerWaalsContact O-N 3.13Å; L203-C207 PolarHBondContact O-SG 3.08Å; Y204-C207 CarbonylContact O-C 3.56Å; Y204-C207 WeakPolarHBondContact O-CA 3.4Å; Y204-C207 WeakPolarHBondContact O-CB 3.32Å; Y204-C207 PolarHBondContact O-N 2.83Å; Y204-C207 VanDerWaalsContact O-N 3.11Å; K205-C207 PolarHBondContact O-N 2.91Å; C207-I209 VanDerWaalsContact C-N 3.34Å; C207-I209 HydrophobicContact CB-CD1 3.95Å; C207-I209 HydrophobicContact CB-CG1 3.98Å |
| 208 | G | 98.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 68% | 0.68 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 25.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y204 K205 | Y204-G208 PolarHBondContact O-N 2.99Å; Y204-G208 VanDerWaalsContact O-N 3.08Å; K205-G208 PolarHBondContact O-N 2.84Å |
| 209 | I | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | trans | -99.1 | 126.1 | 179.1 | -63.9 | 175.8 | 0 | 0 | 0 | 108.7 | V158 K163 I168 V171 Y204 C207 Y211 | V158-I209 HydrophobicContact CG1-CD1 4.17Å; K163-I209 HydrophobicContact CB-CD1 4.19Å; I168-I209 HydrophobicContact CG2-CG2 4.49Å; V171-I209 HydrophobicContact CB-CG2 4.34Å; V171-I209 HydrophobicContact CG2-CG2 3.7Å; Y204-I209 HydrophobicContact CD1-CB 4.13Å; Y204-I209 HydrophobicContact CD1-CD1 4.28Å; Y204-I209 HydrophobicContact CD1-CG2 3.96Å; Y204-I209 PolarHBondContact O-N 2.71Å; C207-I209 VanDerWaalsContact C-N 3.34Å; C207-I209 HydrophobicContact CB-CD1 3.95Å; C207-I209 HydrophobicContact CB-CG1 3.98Å; I209-Y211 PolarHBondContact O-N 3.18Å | ||
| 210 | V | 98.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.7 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | T169 A170 V171 L238 | T169-V210 PolarHBondContact O-N 3Å; A170-V210 CarbonylContact C-O 3.53Å; A170-V210 WeakPolarHBondContact CA-O 3.26Å; A170-V210 HydrophobicContact CB-CB 3.91Å; A170-V210 HydrophobicContact CB-CG1 4.39Å; V171-V210 PolarHBondContact N-O 3.27Å; V210-L238 HydrophobicContact CG1-CD2 3.95Å |
| 211 | Y | 98.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 16% | 0.161 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.5 | -175.9 | -176.5 | -123.4 | 0 | 0 | 0 | 111.5 | V171 N173 M201 Y204 I209 W213 | V171-Y211 HydrophobicContact CB-CD2 4.02Å; V171-Y211 HydrophobicContact CG1-CD2 3.82Å; V171-Y211 HydrophobicContact CG1-CE2 3.93Å; N173-Y211 HydrophobicContact CB-CE2 3.61Å; N173-Y211 PolarHBondContact ND2-OH 2.87Å; M201-Y211 HydrophobicContact CB-CD1 4.03Å; M201-Y211 HydrophobicContact CB-CE1 4.18Å; M201-Y211 HydrophobicContact CG-CD1 4.16Å; Y204-Y211 HydrophobicContact CD2-CD1 4.12Å; Y204-Y211 AromaticContact CD2-CD2 3.26Å; Y204-Y211 HydrophobicContact CD2-CD2 3.26Å; Y204-Y211 HydrophobicContact CD2-CE1 4.38Å; Y204-Y211 AromaticContact CD2-CE2 3.6Å; Y204-Y211 HydrophobicContact CD2-CE2 3.6Å; Y204-Y211 AromaticContact CD2-CG 3.56Å; Y204-Y211 HydrophobicContact CD2-CG 3.56Å; Y204-Y211 AromaticContact CE2-CD2 3.4Å; Y204-Y211 HydrophobicContact CE2-CD2 3.4Å; Y204-Y211 AromaticContact CE2-CE2 3.3Å; Y204-Y211 HydrophobicContact CE2-CE2 3.3Å; Y204-Y211 HydrophobicContact CE2-CG 4.16Å; Y204-Y211 AromaticContact CE2-CZ 3.99Å; Y204-Y211 HydrophobicContact CG-CD2 4.12Å; Y204-Y211 HydrophobicContact CG-CG 4.27Å; I209-Y211 PolarHBondContact O-N 3.18Å; Y211-W213 HydrophobicContact CD1-CB 4.47Å; Y211-W213 HydrophobicContact CE1-CB 3.74Å; Y211-W213 HydrophobicContact CE1-CG 4.35Å |
| 212 | V | 98.8 | Very high | 97.6 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.7 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | V171 V172 N173 L214 L234 L238 | V171-V212 PolarHBondContact O-N 2.95Å; V172-V212 WeakPolarHBondContact CA-O 3.38Å; V172-V212 HydrophobicContact CG1-CG1 4.43Å; V172-V212 HydrophobicContact CG2-CB 4.33Å; N173-V212 PolarHBondContact N-O 3.37Å; V212-L214 HydrophobicContact CG1-CD1 3.99Å; V212-L214 HydrophobicContact CG1-CG 3.92Å; V212-L234 HydrophobicContact CG1-CD1 4.17Å; V212-L238 HydrophobicContact CG2-CD1 4.11Å |
| 213 | W | 98.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.5 | 176.7 | -176.1 | 37.5 | 0 | 0 | 0 | 110.4 | Q175 E177 I180 P197 Y211 P215 | Q175-W213 PolarHBondContact O-NE1 3.27Å; E177-W213 HydrophobicContact CB-CZ2 4.49Å; I180-W213 HydrophobicContact CD1-CZ2 4.12Å; P197-W213 HydrophobicContact CB-CD2 4.45Å; P197-W213 HydrophobicContact CB-CE3 4.07Å; P197-W213 HydrophobicContact CB-CH2 3.45Å; P197-W213 VanDerWaalsContact CB-CH2 3.45Å; P197-W213 HydrophobicContact CB-CZ2 3.86Å; P197-W213 HydrophobicContact CB-CZ3 3.55Å; P197-W213 HydrophobicContact CG-CH2 3.42Å; P197-W213 VanDerWaalsContact CG-CH2 3.42Å; P197-W213 HydrophobicContact CG-CZ2 3.77Å; P197-W213 HydrophobicContact CG-CZ3 4.04Å; Y211-W213 HydrophobicContact CD1-CB 4.47Å; Y211-W213 HydrophobicContact CE1-CB 3.74Å; Y211-W213 HydrophobicContact CE1-CG 4.35Å; W213-P215 HydrophobicContact CD2-CG 4.47Å; W213-P215 HydrophobicContact CZ2-CB 3.9Å; W213-P215 HydrophobicContact CZ2-CG 4.07Å |
| 214 | L | 98.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | trans | -125 | 74.7 | -179.4 | -67.9 | 169.5 | 0 | 0 | 0 | 108.9 | V172 N173 F174 V212 T216 A231 L234 | V172-L214 HydrophobicContact CG1-CD1 4.37Å; N173-L214 PolarHBondContact O-N 3.4Å; F174-L214 WeakPolarHBondContact CA-O 3.25Å; F174-L214 HydrophobicContact CD1-CB 3.93Å; F174-L214 HydrophobicContact CE1-CB 4.03Å; F174-L214 HydrophobicContact CE1-CD1 3.91Å; V212-L214 HydrophobicContact CG1-CD1 3.99Å; V212-L214 HydrophobicContact CG1-CG 3.92Å; L214-T216 PolarHBondContact O-N 3.25Å; L214-T216 VanDerWaalsContact O-N 3.08Å; L214-T216 PolarHBondContact O-OG1 3.04Å; L214-A231 HydrophobicContact CD1-CB 4.04Å; L214-L234 HydrophobicContact CD1-CD1 3.89Å; L214-L234 HydrophobicContact CD2-CD1 4.11Å; L214-L234 HydrophobicContact CG-CD1 4.46Å | ||
| 215 | P | 98.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | trans | -58.1 | 118.4 | -174.7 | 23.8 | -33.3 | 0 | 0 | 0 | 110.7 | Q175 W213 | Q175-P215 WeakPolarHBondContact O-CA 3.22Å; W213-P215 HydrophobicContact CD2-CG 4.47Å; W213-P215 HydrophobicContact CZ2-CB 3.9Å; W213-P215 HydrophobicContact CZ2-CG 4.07Å | ||
| 216 | T | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | trans | -128.9 | 129.2 | -172.3 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | F174 L214 D218 M227 R255 | F174-T216 PolarHBondContact O-N 2.78Å; L214-T216 PolarHBondContact O-N 3.25Å; L214-T216 VanDerWaalsContact O-N 3.08Å; L214-T216 PolarHBondContact O-OG1 3.04Å; T216-D218 PolarHBondContact O-N 2.8Å; T216-M227 HydrophobicContact CG2-CB 3.92Å; T216-M227 HydrophobicContact CG2-CE 4.12Å; T216-M227 HydrophobicContact CG2-CG 4.13Å; T216-M227 WeakPolarHBondContact OG1-CG 3.38Å; T216-R255 HydrophobicContact CG2-CG 4.22Å; T216-R255 WeakPolarHBondContact O-CD 3.41Å; T216-R255 PolarHBondContact O-NH1 3.45Å | ||
| 217 | P | 97.2 | Very high | 97.9 | Very high | 73 Ų | 73 | 53 Ų | 53 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | trans | -54.9 | 132.8 | 175.4 | -25.3 | 34.5 | 0 | 0 | 0 | 111.6 | ||||
| 218 | D | 93.4 | Very high | 98 | Very high | 58 Ų | 58 | 52.4 Ų | 52.4 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -78.4 | 164.7 | 170.4 | -142.2 | -16.8 | 0 | 0 | 0 | 111 | T216 S220 R224 R255 | T216-D218 PolarHBondContact O-N 2.8Å; D218-S220 PolarHBondContact O-N 2.73Å; D218-S220 VanDerWaalsContact O-N 3.13Å; D218-R224 IonicContact OD1-NH2 3.27Å; D218-R255 VanDerWaalsContact CG-NE 3.26Å; D218-R255 IonicContact OD1-NE 3.72Å; D218-R255 IonicContact OD2-CZ 3.79Å; D218-R255 VanDerWaalsContact OD2-CZ 3.29Å; D218-R255 IonicContact OD2-NE 3.78Å; D218-R255 PolarHBondContact OD2-NE 3.38Å; D218-R255 IonicContact OD2-NH2 3.72Å; D218-R255 PolarHBondContact OD2-NH2 2.83Å |
| 219 | M | 93.7 | Very high | 98 | Very high | 144 Ų | 144 | 49.2 Ų | 49.2 | 71% | 0.709 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 54.7 | 31.7 | 178.4 | -53.3 | -58.1 | -70.8 | 0 | 0 | 113.9 | M121 | M121-M219 HydrophobicContact CE-CE 3.93Š|
| 220 | S | 97.7 | Very high | 98 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | trans | -135 | 108.1 | -178.8 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | D218 E222 G223 R224 | D218-S220 PolarHBondContact O-N 2.73Å; D218-S220 VanDerWaalsContact O-N 3.13Å; S220-E222 VanDerWaalsContact C-N 3.34Å; S220-G223 PolarHBondContact O-N 2.86Å; S220-G223 PolarHBondContact OG-N 3.06Å; S220-R224 WeakPolarHBondContact O-CG 3.37Å; S220-R224 PolarHBondContact O-N 3.12Å; S220-R224 VanDerWaalsContact O-N 3.07Å | ||
| 221 | T | 97.9 | Very high | 98 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 172 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | G223 R224 I225 E291 A292 | T221-G223 VanDerWaalsContact C-N 3.34Å; T221-G223 PolarHBondContact O-N 3.26Å; T221-R224 CarbonylContact O-C 3.43Å; T221-R224 WeakPolarHBondContact O-CA 3.04Å; T221-R224 WeakPolarHBondContact O-CB 3.29Å; T221-R224 PolarHBondContact O-N 3.13Å; T221-I225 HydrophobicContact CG2-CD1 4.02Å; T221-I225 HydrophobicContact CG2-CG1 4.48Å; T221-I225 WeakPolarHBondContact O-CG1 3.33Å; T221-I225 PolarHBondContact O-N 2.97Å; T221-E291 HydrophobicContact CG2-CB 4.15Å; T221-E291 HydrophobicContact CG2-CG 3.95Å; T221-A292 HydrophobicContact CG2-CB 3.97Å |
| 222 | E | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.6 | -43 | 174.8 | -75.7 | -60.2 | 129.5 | 0 | 0 | 113.3 | S220 R224 I225 R226 | S220-E222 VanDerWaalsContact C-N 3.34Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 2.61Å; E222-I225 PolarHBondContact O-N 3.46Å; E222-R226 WeakPolarHBondContact O-CG 3.49Å; E222-R226 PolarHBondContact O-N 2.95Å |
| 223 | G | 98.3 | Very high | 98 | Very high | 12 Ų | 12 | 50 Ų | 50 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S220 T221 M227 | S220-G223 PolarHBondContact O-N 2.86Å; S220-G223 PolarHBondContact OG-N 3.06Å; T221-G223 VanDerWaalsContact C-N 3.34Å; T221-G223 PolarHBondContact O-N 3.26Å; G223-M227 WeakPolarHBondContact O-CB 3.34Å; G223-M227 PolarHBondContact O-N 2.89Å |
| 224 | R | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | 175.7 | -67.1 | 163.2 | -173.1 | 166.7 | 2.1 | 111.5 | D218 S220 T221 E222 R226 M227 L228 D289 A292 | D218-R224 IonicContact OD1-NH2 3.27Å; S220-R224 WeakPolarHBondContact O-CG 3.37Å; S220-R224 PolarHBondContact O-N 3.12Å; S220-R224 VanDerWaalsContact O-N 3.07Å; T221-R224 CarbonylContact O-C 3.43Å; T221-R224 WeakPolarHBondContact O-CA 3.04Å; T221-R224 WeakPolarHBondContact O-CB 3.29Å; T221-R224 PolarHBondContact O-N 3.13Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 2.61Å; R224-R226 VanDerWaalsContact C-N 3.31Å; R224-R226 PolarHBondContact O-N 3.47Å; R224-M227 PolarHBondContact O-N 3.45Å; R224-L228 VanDerWaalsContact O-CB 3.3Å; R224-L228 WeakPolarHBondContact O-CB 3.49Å; R224-L228 WeakPolarHBondContact O-CG 3.24Å; R224-L228 PolarHBondContact O-N 2.74Å; R224-D289 WeakPolarHBondContact CD-OD2 3.46Å; R224-D289 IonicContact CZ-OD2 4Å; R224-D289 IonicContact NE-OD2 3.84Å; R224-D289 IonicContact NH1-OD2 2.96Å; R224-D289 PolarHBondContact NH1-OD2 3.34Å; R224-A292 HydrophobicContact CB-CB 3.83Å |
| 225 | I | 98.8 | Very high | 98 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.6 | -48.7 | 177.1 | -70.3 | 166 | 0 | 0 | 0 | 110.6 | T221 E222 M227 P229 A292 Q295 A296 | T221-I225 HydrophobicContact CG2-CD1 4.02Å; T221-I225 HydrophobicContact CG2-CG1 4.48Å; T221-I225 WeakPolarHBondContact O-CG1 3.33Å; T221-I225 PolarHBondContact O-N 2.97Å; E222-I225 PolarHBondContact O-N 3.46Å; I225-M227 VanDerWaalsContact C-N 3.35Å; I225-M227 PolarHBondContact O-N 3.26Å; I225-P229 VanDerWaalsContact O-CD 3.28Å; I225-P229 WeakPolarHBondContact O-CD 3.48Å; I225-A292 HydrophobicContact CG1-CB 3.85Å; I225-Q295 HydrophobicContact CD1-CB 3.91Å; I225-Q295 HydrophobicContact CD1-CG 4.39Å; I225-Q295 HydrophobicContact CG1-CB 4.13Å; I225-A296 HydrophobicContact CG2-CB 4.41Å |
| 226 | R | 98.4 | Very high | 98 | Very high | 176 Ų | 176 | 44.4 Ų | 44.4 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -69.5 | -30.2 | -178.1 | -66.7 | 175.4 | -170 | -163.9 | 1.6 | 113.9 | E222 R224 Q230 | E222-R226 WeakPolarHBondContact O-CG 3.49Å; E222-R226 PolarHBondContact O-N 2.95Å; R224-R226 VanDerWaalsContact C-N 3.31Å; R224-R226 PolarHBondContact O-N 3.47Å; R226-Q230 PolarHBondContact O-OE1 3.24Å; R226-Q230 VanDerWaalsContact O-OE1 3.06Å |
| 227 | M | 98.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -82.6 | -38.3 | -178.2 | 170.3 | -86.7 | -73 | 0 | 0 | 112.6 | F174 T216 G223 R224 I225 Q230 A231 | F174-M227 HydrophobicContact CD1-CE 3.95Å; F174-M227 HydrophobicContact CD1-CG 4.1Å; F174-M227 HydrophobicContact CD1-SD 3.87Å; F174-M227 HydrophobicContact CE1-CE 4.01Å; F174-M227 HydrophobicContact CE1-CG 4.03Å; F174-M227 HydrophobicContact CE1-SD 3.44Å; F174-M227 WeakPolarHBondContact CE1-SD 3.33Å; F174-M227 HydrophobicContact CZ-SD 4.17Å; T216-M227 HydrophobicContact CG2-CB 3.92Å; T216-M227 HydrophobicContact CG2-CE 4.12Å; T216-M227 HydrophobicContact CG2-CG 4.13Å; T216-M227 WeakPolarHBondContact OG1-CG 3.38Å; G223-M227 WeakPolarHBondContact O-CB 3.34Å; G223-M227 PolarHBondContact O-N 2.89Å; R224-M227 PolarHBondContact O-N 3.45Å; I225-M227 VanDerWaalsContact C-N 3.35Å; I225-M227 PolarHBondContact O-N 3.26Å; M227-Q230 PolarHBondContact O-N 3.05Å; M227-A231 HydrophobicContact CG-CB 4.1Å; M227-A231 WeakPolarHBondContact O-CB 3.12Å; M227-A231 PolarHBondContact O-N 3.37Å; M227-A231 HydrophobicContact SD-CB 3.24Å; M227-A231 WeakPolarHBondContact SD-CB 3.3Å |
| 228 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -50.4 | -50.5 | -167.6 | -93.3 | 166.7 | 0 | 0 | 0 | 113.6 | R224 Q230 A231 V232 A258 A292 L293 A296 | R224-L228 VanDerWaalsContact O-CB 3.3Å; R224-L228 WeakPolarHBondContact O-CB 3.49Å; R224-L228 WeakPolarHBondContact O-CG 3.24Å; R224-L228 PolarHBondContact O-N 2.74Å; L228-Q230 PolarHBondContact O-N 2.79Å; L228-A231 PolarHBondContact O-N 3.45Å; L228-V232 HydrophobicContact CD2-CG2 4.47Å; L228-V232 WeakPolarHBondContact O-CB 3.42Å; L228-V232 VanDerWaalsContact O-CG2 3.26Å; L228-V232 WeakPolarHBondContact O-CG2 3.37Å; L228-V232 PolarHBondContact O-N 2.8Å; L228-A258 HydrophobicContact CD2-CB 4.07Å; L228-A258 VanDerWaalsContact CD2-O 3.23Å; L228-A258 WeakPolarHBondContact CD2-O 3.34Å; L228-A292 HydrophobicContact CD1-CB 4.01Å; L228-A292 WeakPolarHBondContact CD1-O 3.35Å; L228-L293 HydrophobicContact CD1-CD2 4.4Å; L228-L293 HydrophobicContact CD2-CD2 4.26Å; L228-A296 HydrophobicContact CB-CB 3.72Å; L228-A296 HydrophobicContact CD1-CB 3.79Å; L228-A296 HydrophobicContact CG-CB 4.41Å |
| 229 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | -173.9 | -28.5 | 38.2 | 0 | 0 | 0 | 113.2 | I225 F233 A296 D299 F300 K303 F304 | I225-P229 VanDerWaalsContact O-CD 3.28Å; I225-P229 WeakPolarHBondContact O-CD 3.48Å; P229-F233 WeakPolarHBondContact O-CB 3.37Å; P229-F233 PolarHBondContact O-N 2.91Å; P229-A296 HydrophobicContact CG-CB 4.32Å; P229-D299 HydrophobicContact CG-CB 4.2Å; P229-D299 WeakPolarHBondContact CG-OD2 3.24Å; P229-F300 HydrophobicContact CB-CB 4.06Å; P229-F300 HydrophobicContact CB-CD2 4.27Å; P229-F300 HydrophobicContact CG-CB 4.36Å; P229-F300 WeakPolarHBondContact O-CD2 3.39Å; P229-K303 HydrophobicContact CB-CD 4.19Å; P229-F304 HydrophobicContact CB-CE2 4Å; P229-F304 VanDerWaalsContact O-CE2 3.28Å; P229-F304 WeakPolarHBondContact O-CE2 3.45Å |
| 230 | Q | 98.7 | Very high | 98.4 | Very high | 70 Ų | 70 | 37.3 Ų | 37.3 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.8 | -40.3 | -177.5 | -62.8 | 84.6 | -31.9 | 0 | 0 | 110.5 | R226 M227 L228 F233 L234 | R226-Q230 PolarHBondContact O-OE1 3.24Å; R226-Q230 VanDerWaalsContact O-OE1 3.06Å; M227-Q230 PolarHBondContact O-N 3.05Å; L228-Q230 PolarHBondContact O-N 2.79Å; Q230-F233 PolarHBondContact O-N 3.38Å; Q230-L234 WeakPolarHBondContact O-CB 3.27Å; Q230-L234 VanDerWaalsContact O-CG 3.3Å; Q230-L234 WeakPolarHBondContact O-CG 3.28Å; Q230-L234 PolarHBondContact O-N 2.87Å |
| 231 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F174 L214 M227 L228 L234 L235 A259 | F174-A231 HydrophobicContact CE1-CB 3.65Å; F174-A231 HydrophobicContact CZ-CB 3.86Å; L214-A231 HydrophobicContact CD1-CB 4.04Å; M227-A231 HydrophobicContact CG-CB 4.1Å; M227-A231 WeakPolarHBondContact O-CB 3.12Å; M227-A231 PolarHBondContact O-N 3.37Å; M227-A231 HydrophobicContact SD-CB 3.24Å; M227-A231 WeakPolarHBondContact SD-CB 3.3Å; L228-A231 PolarHBondContact O-N 3.45Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-L235 WeakPolarHBondContact O-CB 3.38Å; A231-L235 PolarHBondContact O-N 2.81Å; A231-A259 HydrophobicContact CB-CB 4.23Å |
| 232 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L228 L235 H236 G262 Y266 I267 F300 | L228-V232 HydrophobicContact CD2-CG2 4.47Å; L228-V232 WeakPolarHBondContact O-CB 3.42Å; L228-V232 VanDerWaalsContact O-CG2 3.26Å; L228-V232 WeakPolarHBondContact O-CG2 3.37Å; L228-V232 PolarHBondContact O-N 2.8Å; V232-L235 PolarHBondContact O-N 3.45Å; V232-H236 VanDerWaalsContact O-CB 3.27Å; V232-H236 WeakPolarHBondContact O-CB 3.32Å; V232-H236 PolarHBondContact O-N 3.35Å; V232-G262 VanDerWaalsContact CG2-C 3.48Å; V232-Y266 HydrophobicContact CB-CD2 4.27Å; V232-Y266 HydrophobicContact CG1-CD2 4.13Å; V232-Y266 HydrophobicContact CG2-CD2 3.92Å; V232-Y266 HydrophobicContact CG2-CE2 4.15Å; V232-I267 HydrophobicContact CG1-CD1 4.27Å; V232-I267 HydrophobicContact CG1-CG1 3.88Å; V232-F300 HydrophobicContact CB-CD2 4.18Å; V232-F300 HydrophobicContact CB-CE2 3.96Å; V232-F300 HydrophobicContact CG1-CD2 4.17Å; V232-F300 HydrophobicContact CG1-CE2 3.63Å; V232-F300 HydrophobicContact CG1-CZ 4.1Å |
| 233 | F | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 38% | 0.382 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 176.5 | -179.4 | -100.8 | 0 | 0 | 0 | 112.2 | P229 Q230 H236 G237 F300 F304 L307 | P229-F233 WeakPolarHBondContact O-CB 3.37Å; P229-F233 PolarHBondContact O-N 2.91Å; Q230-F233 PolarHBondContact O-N 3.38Å; F233-H236 PolarHBondContact O-N 3.07Å; F233-G237 PolarHBondContact O-N 3.02Å; F233-F300 HydrophobicContact CB-CE2 4.4Å; F233-F304 HydrophobicContact CB-CD1 4.18Å; F233-F304 HydrophobicContact CB-CD2 3.99Å; F233-F304 HydrophobicContact CB-CE1 3.97Å; F233-F304 HydrophobicContact CB-CE2 3.77Å; F233-F304 HydrophobicContact CB-CG 4.18Å; F233-F304 HydrophobicContact CB-CZ 3.75Å; F233-F304 HydrophobicContact CD1-CD1 4.31Å; F233-F304 AromaticContact CD1-CE1 3.88Å; F233-F304 HydrophobicContact CD1-CE1 3.88Å; F233-F304 HydrophobicContact CD1-CZ 4.3Å; F233-F304 HydrophobicContact CD2-CB 4.05Å; F233-F304 AromaticContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD2 4.27Å; F233-F304 AromaticContact CD2-CE1 3.73Å; F233-F304 HydrophobicContact CD2-CE1 3.73Å; F233-F304 AromaticContact CD2-CG 3.6Å; F233-F304 HydrophobicContact CD2-CG 3.6Å; F233-F304 HydrophobicContact CD2-CZ 4.37Å; F233-F304 HydrophobicContact CE1-CE1 4.31Å; F233-F304 AromaticContact CE2-CD1 3.66Å; F233-F304 HydrophobicContact CE2-CD1 3.66Å; F233-F304 HydrophobicContact CE2-CE1 4.17Å; F233-F304 HydrophobicContact CE2-CG 4.27Å; F233-F304 AromaticContact CG-CD1 3.67Å; F233-F304 HydrophobicContact CG-CD1 3.67Å; F233-F304 HydrophobicContact CG-CD2 4.36Å; F233-F304 AromaticContact CG-CE1 3.57Å; F233-F304 HydrophobicContact CG-CE1 3.57Å; F233-F304 HydrophobicContact CG-CE2 4.28Å; F233-F304 HydrophobicContact CG-CG 4.07Å; F233-F304 AromaticContact CG-CZ 3.89Å; F233-F304 HydrophobicContact CG-CZ 3.89Å; F233-F304 HydrophobicContact CZ-CD1 4.3Å; F233-F304 HydrophobicContact CZ-CE1 4.44Å; F233-L307 HydrophobicContact CD2-CD1 3.72Å; F233-L307 HydrophobicContact CE2-CD1 3.95Å |
| 234 | L | 98.7 | Very high | 98.3 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 178.7 | -70.7 | 167.6 | 0 | 0 | 0 | 112 | V212 L214 Q230 A231 H236 G237 L238 | V212-L234 HydrophobicContact CG1-CD1 4.17Å; L214-L234 HydrophobicContact CD1-CD1 3.89Å; L214-L234 HydrophobicContact CD2-CD1 4.11Å; L214-L234 HydrophobicContact CG-CD1 4.46Å; Q230-L234 WeakPolarHBondContact O-CB 3.27Å; Q230-L234 VanDerWaalsContact O-CG 3.3Å; Q230-L234 WeakPolarHBondContact O-CG 3.28Å; Q230-L234 PolarHBondContact O-N 2.87Å; A231-L234 PolarHBondContact O-N 2.93Å; L234-H236 VanDerWaalsContact C-N 3.33Å; L234-H236 PolarHBondContact O-N 2.74Å; L234-G237 PolarHBondContact O-N 3.07Å; L234-L238 WeakPolarHBondContact O-CG 3.12Å; L234-L238 PolarHBondContact O-N 3.48Å |
| 235 | L | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 177 | 177.5 | 56.5 | 0 | 0 | 0 | 111.2 | V172 A231 V232 L238 L239 V245 V247 L263 | V172-L235 HydrophobicContact CG2-CD1 4.45Å; A231-L235 WeakPolarHBondContact O-CB 3.38Å; A231-L235 PolarHBondContact O-N 2.81Å; V232-L235 PolarHBondContact O-N 3.45Å; L235-L238 PolarHBondContact O-N 3.48Å; L235-L239 HydrophobicContact CD1-CD1 4.24Å; L235-L239 HydrophobicContact CD1-CG 4.43Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.48Å; L235-L239 VanDerWaalsContact O-N 3.08Å; L235-V245 HydrophobicContact CD1-CB 4.07Å; L235-V245 HydrophobicContact CD1-CG1 3.68Å; L235-V245 HydrophobicContact CD1-CG2 4.26Å; L235-V247 HydrophobicContact CD1-CG2 3.79Å; L235-V247 HydrophobicContact CD2-CG2 4.19Å; L235-L263 HydrophobicContact CD2-CB 4.1Å; L235-L263 HydrophobicContact CD2-CD2 3.96Å; L235-L263 HydrophobicContact CD2-CG 4.47Å; L235-L263 HydrophobicContact CG-CD2 4.22Å |
| 236 | H | 98.2 | Very high | 98.4 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 175.2 | 178.7 | 20.7 | 0 | 0 | 0 | 111.6 | V232 F233 L234 L238 L239 E240 L263 I267 | V232-H236 VanDerWaalsContact O-CB 3.27Å; V232-H236 WeakPolarHBondContact O-CB 3.32Å; V232-H236 PolarHBondContact O-N 3.35Å; F233-H236 PolarHBondContact O-N 3.07Å; L234-H236 VanDerWaalsContact C-N 3.33Å; L234-H236 PolarHBondContact O-N 2.74Å; H236-L238 VanDerWaalsContact C-N 3.34Å; H236-L238 PolarHBondContact O-N 3.48Å; H236-L239 WeakPolarHBondContact O-CB 3.23Å; H236-L239 PolarHBondContact O-N 3.22Å; H236-L239 VanDerWaalsContact O-N 3.11Å; H236-E240 VanDerWaalsContact CE1-CD 3.45Å; H236-E240 WeakPolarHBondContact CE1-CG 3.41Å; H236-E240 IonicContact CE1-OE1 3.54Å; H236-E240 PolarHBondContact CE1-OE1 2.96Å; H236-E240 VanDerWaalsContact CE1-OE1 3.29Å; H236-E240 WeakPolarHBondContact ND1-CG 3.32Å; H236-E240 IonicContact ND1-OE1 2.61Å; H236-E240 WeakPolarHBondContact O-CG 3.23Å; H236-E240 PolarHBondContact O-N 3.02Å; H236-L263 HydrophobicContact CB-CD1 4.21Å; H236-I267 HydrophobicContact CB-CD1 4.33Å; H236-I267 HydrophobicContact CB-CG1 4.25Å; H236-I267 VanDerWaalsContact CD2-CD1 3.48Å; H236-I267 WeakPolarHBondContact CD2-CD1 3.42Å |
| 237 | G | 98.1 | Very high | 98.4 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 40% | 0.402 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F233 L234 L239 E240 N241 | F233-G237 PolarHBondContact O-N 3.02Å; L234-G237 PolarHBondContact O-N 3.07Å; G237-L239 VanDerWaalsContact C-N 3.33Å; G237-L239 PolarHBondContact O-N 3.2Å; G237-E240 PolarHBondContact O-N 3.28Å; G237-N241 WeakPolarHBondContact O-CB 3.48Å; G237-N241 PolarHBondContact O-N 3.41Å |
| 238 | L | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 173.8 | -70.9 | 171.6 | 0 | 0 | 0 | 111.7 | A170 V172 V210 V212 L234 L235 H236 N241 H243 V245 | A170-L238 HydrophobicContact CB-CD1 4.22Å; A170-L238 HydrophobicContact CB-CD2 4.05Å; V172-L238 HydrophobicContact CG2-CD1 3.6Å; V210-L238 HydrophobicContact CG1-CD2 3.95Å; V212-L238 HydrophobicContact CG2-CD1 4.11Å; L234-L238 WeakPolarHBondContact O-CG 3.12Å; L234-L238 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 3.48Å; H236-L238 VanDerWaalsContact C-N 3.34Å; H236-L238 PolarHBondContact O-N 3.48Å; L238-N241 PolarHBondContact O-N 3.36Å; L238-H243 HydrophobicContact CB-CB 4.45Å; L238-H243 VanDerWaalsContact O-CB 3.29Å; L238-H243 WeakPolarHBondContact O-CB 3.2Å; L238-H243 PolarHBondContact O-CD2 2.88Å; L238-H243 VanDerWaalsContact O-CD2 3.28Å; L238-H243 PolarHBondContact O-N 3.3Å; L238-H243 VanDerWaalsContact O-N 3.16Å; L238-V245 HydrophobicContact CB-CG2 3.96Å; L238-V245 HydrophobicContact CD1-CG1 4.27Å |
| 239 | L | 98.1 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 178.9 | -69.2 | 168 | 0 | 0 | 0 | 111.6 | R145 V146 L235 H236 G237 N241 G242 V245 L263 I311 | R145-L239 HydrophobicContact CB-CD2 4.12Å; R145-L239 PolarHBondContact NH2-O 3.13Å; V146-L239 HydrophobicContact CG2-CD1 3.8Å; V146-L239 HydrophobicContact CG2-CD2 3.73Å; V146-L239 HydrophobicContact CG2-CG 4.38Å; L235-L239 HydrophobicContact CD1-CD1 4.24Å; L235-L239 HydrophobicContact CD1-CG 4.43Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.48Å; L235-L239 VanDerWaalsContact O-N 3.08Å; H236-L239 WeakPolarHBondContact O-CB 3.23Å; H236-L239 PolarHBondContact O-N 3.22Å; H236-L239 VanDerWaalsContact O-N 3.11Å; G237-L239 VanDerWaalsContact C-N 3.33Å; G237-L239 PolarHBondContact O-N 3.2Å; L239-N241 PolarHBondContact O-N 2.88Å; L239-G242 PolarHBondContact O-N 2.87Å; L239-V245 HydrophobicContact CD2-CG2 3.76Å; L239-V245 HydrophobicContact CG-CG2 4.14Å; L239-L263 HydrophobicContact CD1-CD1 4.16Å; L239-L263 HydrophobicContact CD1-CD2 3.58Å; L239-I311 VanDerWaalsContact C-CD1 3.49Å; L239-I311 HydrophobicContact CB-CD1 3.82Å; L239-I311 VanDerWaalsContact O-CD1 3.26Å; L239-I311 WeakPolarHBondContact O-CD1 3.48Å |
| 240 | E | 97 | Very high | 98.4 | Very high | 70 Ų | 70 | 28.6 Ų | 28.6 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.1 | -31.6 | 176.9 | -65.6 | -68.1 | 128 | 0 | 0 | 111.5 | H236 G237 G242 S309 S310 | H236-E240 VanDerWaalsContact CE1-CD 3.45Å; H236-E240 WeakPolarHBondContact CE1-CG 3.41Å; H236-E240 IonicContact CE1-OE1 3.54Å; H236-E240 PolarHBondContact CE1-OE1 2.96Å; H236-E240 VanDerWaalsContact CE1-OE1 3.29Å; H236-E240 WeakPolarHBondContact ND1-CG 3.32Å; H236-E240 IonicContact ND1-OE1 2.61Å; H236-E240 WeakPolarHBondContact O-CG 3.23Å; H236-E240 PolarHBondContact O-N 3.02Å; G237-E240 PolarHBondContact O-N 3.28Å; E240-G242 PolarHBondContact O-N 2.65Å; E240-S309 WeakPolarHBondContact OE1-CA 3.25Å; E240-S309 PolarHBondContact OE1-OG 3.29Å; E240-S310 PolarHBondContact OE1-N 3.41Å; E240-S310 VanDerWaalsContact OE1-N 3.08Å; E240-S310 VanDerWaalsContact OE2-CB 3.29Å; E240-S310 WeakPolarHBondContact OE2-CB 3.09Å; E240-S310 PolarHBondContact OE2-N 2.81Å; E240-S310 PolarHBondContact OE2-OG 3.3Å |
| 241 | N | 97.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 25.8 Ų | 25.8 | 64% | 0.636 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 12.8 | 175 | -163 | 46.9 | 0 | 0 | 0 | 114.7 | G237 L238 L239 H243 | G237-N241 WeakPolarHBondContact O-CB 3.48Å; G237-N241 PolarHBondContact O-N 3.41Å; L238-N241 PolarHBondContact O-N 3.36Å; L239-N241 PolarHBondContact O-N 2.88Å; N241-H243 PolarHBondContact ND2-NE2 2.65Å; N241-H243 VanDerWaalsContact ND2-NE2 3.18Å; N241-H243 PolarHBondContact O-N 2.87Å |
| 242 | G | 96.9 | Very high | 98.3 | Very high | 46 Ų | 46 | 25.8 Ų | 25.8 | 47% | 0.474 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 2.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | R145 L239 E240 | R145-G242 VanDerWaalsContact CZ-CA 3.49Å; R145-G242 VanDerWaalsContact CZ-O 3.26Å; R145-G242 PolarHBondContact NE-O 3.25Å; R145-G242 PolarHBondContact NH2-O 3.43Å; L239-G242 PolarHBondContact O-N 2.87Å; E240-G242 PolarHBondContact O-N 2.65Å |
| 243 | H | 98.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | trans | -71.4 | 139.3 | 178.9 | -65.7 | -64.9 | 0 | 0 | 0 | 116.1 | R145 T169 A170 L238 N241 V245 | R145-H243 VanDerWaalsContact CZ-O 3.27Å; R145-H243 PolarHBondContact NE-O 3.29Å; R145-H243 VanDerWaalsContact NH2-C 3.31Å; R145-H243 PolarHBondContact NH2-O 3.18Å; T169-H243 WeakPolarHBondContact OG1-CA 3.27Å; T169-H243 WeakPolarHBondContact OG1-CB 3.38Å; T169-H243 PolarHBondContact OG1-ND1 2.59Å; T169-H243 VanDerWaalsContact OG1-ND1 3.12Å; A170-H243 HydrophobicContact CB-CB 3.77Å; L238-H243 HydrophobicContact CB-CB 4.45Å; L238-H243 VanDerWaalsContact O-CB 3.29Å; L238-H243 WeakPolarHBondContact O-CB 3.2Å; L238-H243 PolarHBondContact O-CD2 2.88Å; L238-H243 VanDerWaalsContact O-CD2 3.28Å; L238-H243 PolarHBondContact O-N 3.3Å; L238-H243 VanDerWaalsContact O-N 3.16Å; N241-H243 PolarHBondContact ND2-NE2 2.65Å; N241-H243 VanDerWaalsContact ND2-NE2 3.18Å; N241-H243 PolarHBondContact O-N 2.87Å; H243-V245 HydrophobicContact CB-CG2 3.98Å | ||
| 244 | S | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | trans | -81.9 | 119.5 | 154.8 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | G167 T169 A170 | G167-S244 VanDerWaalsContact O-CB 3.3Å; G167-S244 WeakPolarHBondContact O-CB 3.3Å; T169-S244 PolarHBondContact N-O 3.32Å; T169-S244 PolarHBondContact OG1-N 3.39Å; T169-S244 PolarHBondContact OG1-O 3.46Å; A170-S244 PolarHBondContact N-O 3.06Å | ||
| 245 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.4 | -167.9 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | R145 W147 A170 V172 L235 L238 L239 H243 V247 | R145-V245 PolarHBondContact O-N 2.9Å; W147-V245 PolarHBondContact N-O 3.35Å; A170-V245 HydrophobicContact CB-CG1 4.49Å; A170-V245 HydrophobicContact CB-CG2 4.34Å; A170-V245 CarbonylContact O-C 3.49Å; A170-V245 VanDerWaalsContact O-CA 3.29Å; A170-V245 WeakPolarHBondContact O-CA 3.45Å; V172-V245 HydrophobicContact CG2-CG1 3.85Å; L235-V245 HydrophobicContact CD1-CB 4.07Å; L235-V245 HydrophobicContact CD1-CG1 3.68Å; L235-V245 HydrophobicContact CD1-CG2 4.26Å; L238-V245 HydrophobicContact CB-CG2 3.96Å; L238-V245 HydrophobicContact CD1-CG1 4.27Å; L239-V245 HydrophobicContact CD2-CG2 3.76Å; L239-V245 HydrophobicContact CG-CG2 4.14Å; H243-V245 HydrophobicContact CB-CG2 3.98Å; V245-V247 HydrophobicContact CG1-CG2 3.92Å |
| 246 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.5 | 168.7 | -171.4 | -90.7 | 0 | 0 | 0 | 110.1 | I137 F139 W147 G149 S150 M162 I168 A170 V171 V172 H248 | I137-Y246 HydrophobicContact CD1-CE1 4.44Å; I137-Y246 WeakPolarHBondContact CD1-OH 3.33Å; I137-Y246 WeakPolarHBondContact CG1-OH 3.26Å; F139-Y246 HydrophobicContact CB-CE2 3.62Å; F139-Y246 HydrophobicContact CD1-CE2 4.47Å; F139-Y246 HydrophobicContact CG-CE2 4.1Å; W147-Y246 HydrophobicContact CB-CD2 3.61Å; W147-Y246 HydrophobicContact CB-CE2 4.27Å; W147-Y246 HydrophobicContact CB-CG 4.41Å; W147-Y246 HydrophobicContact CG-CD2 4.48Å; G149-Y246 WeakPolarHBondContact CA-OH 3.47Å; S150-Y246 PolarHBondContact N-OH 3.41Å; S150-Y246 PolarHBondContact O-OH 3.3Å; M162-Y246 HydrophobicContact CE-CD1 3.49Å; M162-Y246 VanDerWaalsContact CE-CD1 3.49Å; M162-Y246 HydrophobicContact CE-CE1 3.31Å; M162-Y246 HydrophobicContact CE-CE2 4.39Å; M162-Y246 HydrophobicContact CE-CG 4.12Å; M162-Y246 HydrophobicContact SD-CD1 4.19Å; M162-Y246 HydrophobicContact SD-CG 4.43Å; I168-Y246 HydrophobicContact CD1-CD2 4.44Å; A170-Y246 PolarHBondContact O-N 2.98Å; V171-Y246 WeakPolarHBondContact CA-O 3.49Å; V172-Y246 PolarHBondContact N-O 2.81Å; Y246-H248 HydrophobicContact CD1-CB 3.95Å; Y246-H248 AromaticContact CD1-CD2 3.78Å; Y246-H248 HydrophobicContact CE1-CB 3.49Å; Y246-H248 VanDerWaalsContact CE1-CB 3.49Å; Y246-H248 AromaticContact CE1-CD2 3.88Å; Y246-H248 AromaticContact CE1-CG 3.89Å |
| 247 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.4 | -175.2 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | V146 W147 L148 G149 V172 F174 L235 V245 A259 V260 | V146-V247 HydrophobicContact CG1-CG2 4.18Å; W147-V247 PolarHBondContact O-N 3.13Å; L148-V247 WeakPolarHBondContact CA-O 3.43Å; G149-V247 PolarHBondContact N-O 3.39Å; V172-V247 HydrophobicContact CB-CG1 4.4Å; F174-V247 HydrophobicContact CD2-CG1 4.47Å; F174-V247 HydrophobicContact CE2-CG1 3.61Å; F174-V247 HydrophobicContact CZ-CG1 4.46Å; L235-V247 HydrophobicContact CD1-CG2 3.79Å; L235-V247 HydrophobicContact CD2-CG2 4.19Å; V245-V247 HydrophobicContact CG1-CG2 3.92Å; V247-A259 HydrophobicContact CG1-CB 4.49Å; V247-V260 HydrophobicContact CB-CG2 4.04Å; V247-V260 HydrophobicContact CG1-CG2 4.01Å; V247-V260 HydrophobicContact CG2-CG2 4.22Å |
| 248 | H | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.1 | -172.7 | 82.1 | 88.8 | 0 | 0 | 0 | 115.7 | G149 C151 V172 N173 F174 Q175 Y246 S256 | G149-H248 WeakPolarHBondContact O-CA 3.49Å; G149-H248 WeakPolarHBondContact O-CB 3.34Å; C151-H248 WeakPolarHBondContact CA-ND1 3.28Å; V172-H248 PolarHBondContact O-N 2.89Å; N173-H248 PolarHBondContact OD1-CE1 3.26Å; F174-H248 WeakPolarHBondContact CD2-O 3.42Å; F174-H248 PolarHBondContact N-O 3.02Å; Q175-H248 PolarHBondContact OE1-CE1 3.33Å; Y246-H248 HydrophobicContact CD1-CB 3.95Å; Y246-H248 AromaticContact CD1-CD2 3.78Å; Y246-H248 HydrophobicContact CE1-CB 3.49Å; Y246-H248 VanDerWaalsContact CE1-CB 3.49Å; Y246-H248 AromaticContact CE1-CD2 3.88Å; Y246-H248 AromaticContact CE1-CG 3.89Å; H248-S256 VanDerWaalsContact C-CB 3.47Å |
| 249 | C | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | trans | -132.4 | -143.6 | 165.7 | 65.8 | 0 | 0 | 0 | 0 | 107.7 | C151 F174 G252 R255 S256 | C151-C249 WeakPolarHBondContact CB-O 3.41Å; C151-C249 PolarHBondContact N-O 3.23Å; F174-C249 HydrophobicContact CB-CB 4.32Å; C249-G252 PolarHBondContact SG-N 2.89Å; C249-R255 HydrophobicContact CB-CB 4.05Å; C249-S256 PolarHBondContact N-OG 2.91Å; C249-S256 PolarHBondContact SG-OG 2.84Å; C249-S256 VanDerWaalsContact SG-OG 3.37Å | ||
| 250 | N | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 15.9 Ų | 15.9 | 8% | 0.08 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -66.6 | -57.2 | 174.1 | -70.8 | -18.9 | 0 | 0 | 0 | 112.6 | Y128 S150 C151 R153 Q175 D179 N183 R255 | Y128-N250 HydrophobicContact CE2-CB 4.08Å; S150-N250 WeakPolarHBondContact CA-O 3.43Å; S150-N250 VanDerWaalsContact CB-O 3.24Å; S150-N250 WeakPolarHBondContact CB-O 3.3Å; C151-N250 PolarHBondContact N-O 3.13Å; R153-N250 PolarHBondContact NH2-O 3.31Å; Q175-N250 WeakPolarHBondContact CG-OD1 3.11Å; Q175-N250 PolarHBondContact NE2-OD1 3.06Å; D179-N250 VanDerWaalsContact CB-OD1 3.3Å; D179-N250 WeakPolarHBondContact CB-OD1 3.07Å; D179-N250 VanDerWaalsContact CG-ND2 3.33Å; D179-N250 PolarHBondContact OD1-ND2 3.37Å; N183-N250 PolarHBondContact ND2-OD1 2.98Å; N250-R255 PolarHBondContact ND2-NH2 3.2Å; N250-R255 VanDerWaalsContact ND2-NH2 3.18Å |
| 251 | A | 97.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 12.5 Ų | 12.5 | 10% | 0.099 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -107.6 | -13.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y128 V253 R283 | Y128-A251 HydrophobicContact CD2-CB 3.86Å; Y128-A251 HydrophobicContact CG-CB 4.35Å; A251-V253 HydrophobicContact CB-CB 4.24Å; A251-V253 HydrophobicContact CB-CG2 3.66Å; A251-R283 PolarHBondContact O-NH2 3Å |
| 252 | G | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 69.5 | 38.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G149 C249 S256 R283 | G149-G252 VanDerWaalsContact C-CA 3.46Å; G149-G252 WeakPolarHBondContact O-CA 3.42Å; G149-G252 PolarHBondContact O-N 3.34Å; C249-G252 PolarHBondContact SG-N 2.89Å; G252-S256 WeakPolarHBondContact CA-OG 3.47Å; G252-R283 PolarHBondContact O-NE 2.76Å |
| 253 | V | 98 | Very high | 98.6 | Very high | 9 Ų | 9 | 4.7 Ų | 4.7 | 6% | 0.055 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -117.4 | -52.9 | -172.3 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | T124 F127 A251 T257 A285 Y287 | T124-V253 HydrophobicContact CG2-CB 4.39Å; T124-V253 HydrophobicContact CG2-CG1 3.77Å; T124-V253 HydrophobicContact CG2-CG2 4.37Å; F127-V253 HydrophobicContact CD1-CG2 4.25Å; F127-V253 HydrophobicContact CE1-CG2 4.18Å; A251-V253 HydrophobicContact CB-CB 4.24Å; A251-V253 HydrophobicContact CB-CG2 3.66Å; V253-T257 WeakPolarHBondContact O-CB 3.38Å; V253-T257 PolarHBondContact O-OG1 3.08Å; V253-A285 VanDerWaalsContact CG1-O 3.25Å; V253-A285 WeakPolarHBondContact CG1-O 3.33Å; V253-A285 WeakPolarHBondContact CG2-O 3.39Å; V253-Y287 PolarHBondContact O-N 3.35Å |
| 254 | G | 98.1 | Very high | 98.6 | Very high | 7 Ų | 7 | 3.3 Ų | 3.3 | 7% | 0.072 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -101.7 | -83.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | S256 T257 A258 | G254-S256 PolarHBondContact O-N 3.2Å; G254-T257 WeakPolarHBondContact O-CB 3.25Å; G254-T257 PolarHBondContact O-N 3.1Å; G254-T257 VanDerWaalsContact O-N 3.16Å; G254-A258 PolarHBondContact O-N 2.71Å |
| 255 | R | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -54.1 | -51.5 | -171.5 | -67.2 | 166.9 | -78.9 | 173.7 | -2.6 | 114.5 | F174 D179 T216 D218 C249 N250 A258 A259 | F174-R255 HydrophobicContact CB-CB 3.8Å; F174-R255 HydrophobicContact CG-CB 4.29Å; F174-R255 PolarHBondContact O-NH1 3.37Å; D179-R255 IonicContact OD1-NH2 3.65Å; D179-R255 IonicContact OD2-CZ 2.96Å; D179-R255 IonicContact OD2-NH1 2.66Å; D179-R255 PolarHBondContact OD2-NH1 3.05Å; D179-R255 IonicContact OD2-NH2 3.42Å; D179-R255 PolarHBondContact OD2-NH2 3.32Å; T216-R255 HydrophobicContact CG2-CG 4.22Å; T216-R255 WeakPolarHBondContact O-CD 3.41Å; T216-R255 PolarHBondContact O-NH1 3.45Å; D218-R255 VanDerWaalsContact CG-NE 3.26Å; D218-R255 IonicContact OD1-NE 3.72Å; D218-R255 IonicContact OD2-CZ 3.79Å; D218-R255 VanDerWaalsContact OD2-CZ 3.29Å; D218-R255 IonicContact OD2-NE 3.78Å; D218-R255 PolarHBondContact OD2-NE 3.38Å; D218-R255 IonicContact OD2-NH2 3.72Å; D218-R255 PolarHBondContact OD2-NH2 2.83Å; C249-R255 HydrophobicContact CB-CB 4.05Å; N250-R255 PolarHBondContact ND2-NH2 3.2Å; N250-R255 VanDerWaalsContact ND2-NH2 3.18Å; R255-A258 WeakPolarHBondContact O-CB 3.46Å; R255-A258 PolarHBondContact O-N 3.07Å; R255-A259 PolarHBondContact O-N 3.42Å |
| 256 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -68 | -35.6 | 178.8 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | L148 H248 C249 G252 G254 A258 A259 V260 | L148-S256 WeakPolarHBondContact CD1-OG 3.18Å; H248-S256 VanDerWaalsContact C-CB 3.47Å; C249-S256 PolarHBondContact N-OG 2.91Å; C249-S256 PolarHBondContact SG-OG 2.84Å; C249-S256 VanDerWaalsContact SG-OG 3.37Å; G252-S256 WeakPolarHBondContact CA-OG 3.47Å; G254-S256 PolarHBondContact O-N 3.2Å; S256-A258 VanDerWaalsContact C-N 3.33Å; S256-A259 PolarHBondContact O-N 2.87Å; S256-V260 WeakPolarHBondContact O-CG2 3.44Å; S256-V260 PolarHBondContact O-N 3.03Å; S256-V260 VanDerWaalsContact O-N 3.13Å |
| 257 | T | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 173.4 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | V253 G254 A259 V260 C261 V279 V286 I288 | V253-T257 WeakPolarHBondContact O-CB 3.38Å; V253-T257 PolarHBondContact O-OG1 3.08Å; G254-T257 WeakPolarHBondContact O-CB 3.25Å; G254-T257 PolarHBondContact O-N 3.1Å; G254-T257 VanDerWaalsContact O-N 3.16Å; T257-A259 VanDerWaalsContact C-N 3.33Å; T257-A259 PolarHBondContact O-N 3.23Å; T257-V260 PolarHBondContact O-N 3.3Å; T257-C261 WeakPolarHBondContact O-CB 3.22Å; T257-C261 PolarHBondContact O-N 2.82Å; T257-C261 PolarHBondContact O-SG 3.4Å; T257-V279 HydrophobicContact CG2-CG1 4.27Å; T257-V286 HydrophobicContact CG2-CB 3.68Å; T257-V286 HydrophobicContact CG2-CG1 3.89Å; T257-V286 HydrophobicContact CG2-CG2 4.33Å; T257-V286 WeakPolarHBondContact OG1-CG1 3.45Å; T257-I288 HydrophobicContact CG2-CD1 3.83Å |
| 258 | A | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 3% | 0.025 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L228 G254 R255 S256 V260 C261 G262 | L228-A258 HydrophobicContact CD2-CB 4.07Å; L228-A258 VanDerWaalsContact CD2-O 3.23Å; L228-A258 WeakPolarHBondContact CD2-O 3.34Å; G254-A258 PolarHBondContact O-N 2.71Å; R255-A258 WeakPolarHBondContact O-CB 3.46Å; R255-A258 PolarHBondContact O-N 3.07Å; S256-A258 VanDerWaalsContact C-N 3.33Å; A258-V260 PolarHBondContact O-N 2.82Å; A258-C261 PolarHBondContact O-N 3.13Å; A258-G262 PolarHBondContact O-N 2.99Å |
| 259 | A | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F174 A231 V247 R255 S256 T257 G262 L263 | F174-A259 HydrophobicContact CE1-CB 4.35Å; F174-A259 HydrophobicContact CE2-CB 3.67Å; F174-A259 HydrophobicContact CZ-CB 3.39Å; A231-A259 HydrophobicContact CB-CB 4.23Å; V247-A259 HydrophobicContact CG1-CB 4.49Å; R255-A259 PolarHBondContact O-N 3.42Å; S256-A259 PolarHBondContact O-N 2.87Å; T257-A259 VanDerWaalsContact C-N 3.33Å; T257-A259 PolarHBondContact O-N 3.23Å; A259-G262 PolarHBondContact O-N 3.4Å; A259-L263 PolarHBondContact O-N 2.89Å |
| 260 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | V142 V146 L148 V247 S256 T257 A258 L263 L264 | V142-V260 HydrophobicContact CB-CG1 4.3Å; V142-V260 HydrophobicContact CG1-CG1 3.78Å; V142-V260 HydrophobicContact CG2-CG1 4.43Å; V146-V260 HydrophobicContact CG1-CG1 4.44Å; V146-V260 HydrophobicContact CG1-CG2 4.06Å; L148-V260 HydrophobicContact CD1-CG2 4.28Å; V247-V260 HydrophobicContact CB-CG2 4.04Å; V247-V260 HydrophobicContact CG1-CG2 4.01Å; V247-V260 HydrophobicContact CG2-CG2 4.22Å; S256-V260 WeakPolarHBondContact O-CG2 3.44Å; S256-V260 PolarHBondContact O-N 3.03Å; S256-V260 VanDerWaalsContact O-N 3.13Å; T257-V260 PolarHBondContact O-N 3.3Å; A258-V260 PolarHBondContact O-N 2.82Å; V260-L263 WeakPolarHBondContact O-CB 3.44Å; V260-L263 PolarHBondContact O-N 2.8Å; V260-L264 WeakPolarHBondContact O-CG 3.43Å; V260-L264 PolarHBondContact O-N 2.95Å |
| 261 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 175.7 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | T257 A258 L263 L264 M265 V275 I288 L293 | T257-C261 WeakPolarHBondContact O-CB 3.22Å; T257-C261 PolarHBondContact O-N 2.82Å; T257-C261 PolarHBondContact O-SG 3.4Å; A258-C261 PolarHBondContact O-N 3.13Å; C261-L263 VanDerWaalsContact C-N 3.32Å; C261-L263 PolarHBondContact O-N 3.12Å; C261-L264 PolarHBondContact O-N 2.69Å; C261-L264 VanDerWaalsContact O-N 3.15Å; C261-M265 WeakPolarHBondContact O-CG 3.48Å; C261-M265 PolarHBondContact O-N 2.81Å; C261-V275 HydrophobicContact CB-CG1 3.68Å; C261-I288 VanDerWaalsContact SG-CD1 3.55Å; C261-L293 HydrophobicContact CB-CD1 3.64Å; C261-L293 HydrophobicContact CB-CD2 3.62Å; C261-L293 HydrophobicContact CB-CG 4.27Å |
| 262 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V232 A258 A259 M265 Y266 | V232-G262 VanDerWaalsContact CG2-C 3.48Å; A258-G262 PolarHBondContact O-N 2.99Å; A259-G262 PolarHBondContact O-N 3.4Å; G262-M265 PolarHBondContact O-N 2.74Å; G262-Y266 WeakPolarHBondContact O-CB 3.33Å; G262-Y266 WeakPolarHBondContact O-CD2 3.47Å; G262-Y266 PolarHBondContact O-N 3.07Å |
| 263 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -58.3 | -49.4 | 171.2 | 176.6 | 73.8 | 0 | 0 | 0 | 111.3 | L143 V146 L235 H236 L239 A259 V260 C261 M265 I267 L268 | L143-L263 HydrophobicContact CD1-CD2 4.28Å; V146-L263 HydrophobicContact CG2-CD2 4.25Å; L235-L263 HydrophobicContact CD2-CB 4.1Å; L235-L263 HydrophobicContact CD2-CD2 3.96Å; L235-L263 HydrophobicContact CD2-CG 4.47Å; L235-L263 HydrophobicContact CG-CD2 4.22Å; H236-L263 HydrophobicContact CB-CD1 4.21Å; L239-L263 HydrophobicContact CD1-CD1 4.16Å; L239-L263 HydrophobicContact CD1-CD2 3.58Å; A259-L263 PolarHBondContact O-N 2.89Å; V260-L263 WeakPolarHBondContact O-CB 3.44Å; V260-L263 PolarHBondContact O-N 2.8Å; C261-L263 VanDerWaalsContact C-N 3.32Å; C261-L263 PolarHBondContact O-N 3.12Å; L263-M265 PolarHBondContact O-N 3.1Å; L263-I267 HydrophobicContact CD1-CB 4.17Å; L263-I267 HydrophobicContact CD1-CG1 3.87Å; L263-I267 VanDerWaalsContact O-CB 3.29Å; L263-I267 WeakPolarHBondContact O-CB 3.46Å; L263-I267 PolarHBondContact O-N 2.87Å; L263-I267 VanDerWaalsContact O-N 3.11Å; L263-L268 PolarHBondContact O-N 3.47Å |
| 264 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -65.1 | -38.9 | -179.6 | -61.6 | 173.7 | 0 | 0 | 0 | 112.2 | L143 V260 C261 L268 G269 W270 V275 F278 V279 | L143-L264 HydrophobicContact CD1-CD2 3.93Å; L143-L264 HydrophobicContact CD2-CD2 4.38Å; L143-L264 HydrophobicContact CG-CD2 4.44Å; V260-L264 WeakPolarHBondContact O-CG 3.43Å; V260-L264 PolarHBondContact O-N 2.95Å; C261-L264 PolarHBondContact O-N 2.69Å; C261-L264 VanDerWaalsContact O-N 3.15Å; L264-L268 HydrophobicContact CD2-CD1 3.69Å; L264-L268 CarbonylContact O-C 3.51Å; L264-L268 WeakPolarHBondContact O-CB 3.49Å; L264-L268 PolarHBondContact O-N 2.96Å; L264-G269 PolarHBondContact O-N 2.96Å; L264-W270 HydrophobicContact CB-CE3 4.22Å; L264-W270 HydrophobicContact CD1-CE3 4.37Å; L264-W270 HydrophobicContact CD1-CZ3 4.12Å; L264-W270 HydrophobicContact CD2-CE3 4.35Å; L264-W270 HydrophobicContact CD2-CH2 3.99Å; L264-W270 HydrophobicContact CD2-CZ2 4.33Å; L264-W270 HydrophobicContact CD2-CZ3 4.01Å; L264-W270 HydrophobicContact CG-CZ3 4.48Å; L264-W270 WeakPolarHBondContact O-CB 3.34Å; L264-W270 PolarHBondContact O-N 2.95Å; L264-W270 VanDerWaalsContact O-N 3.11Å; L264-V275 HydrophobicContact CB-CG1 4.46Å; L264-V275 HydrophobicContact CB-CG2 3.59Å; L264-V275 HydrophobicContact CD1-CG1 4.13Å; L264-V275 HydrophobicContact CD1-CG2 4.28Å; L264-F278 HydrophobicContact CD1-CD1 3.97Å; L264-F278 HydrophobicContact CD1-CE1 4.32Å; L264-V279 HydrophobicContact CD1-CG2 3.61Å |
| 265 | M | 97.9 | Very high | 98 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -76.7 | -50.9 | -179.7 | -68.9 | -178.1 | 60.7 | 0 | 0 | 112.6 | C261 G262 L263 G269 L272 V275 L293 | C261-M265 WeakPolarHBondContact O-CG 3.48Å; C261-M265 PolarHBondContact O-N 2.81Å; G262-M265 PolarHBondContact O-N 2.74Å; L263-M265 PolarHBondContact O-N 3.1Å; M265-G269 VanDerWaalsContact O-CA 3.25Å; M265-G269 WeakPolarHBondContact O-CA 3.28Å; M265-G269 PolarHBondContact O-N 2.89Å; M265-L272 HydrophobicContact CE-CB 4.17Å; M265-L272 HydrophobicContact CE-CD1 4.39Å; M265-L272 HydrophobicContact SD-CB 4.44Å; M265-L272 HydrophobicContact SD-CD1 3.88Å; M265-V275 HydrophobicContact CG-CB 4.37Å; M265-V275 HydrophobicContact CG-CG2 3.72Å; M265-L293 HydrophobicContact CE-CB 4.33Å; M265-L293 HydrophobicContact SD-CB 3.83Å; M265-L293 HydrophobicContact SD-CD1 4.03Å; M265-L293 HydrophobicContact SD-CD2 4.12Å; M265-L293 HydrophobicContact SD-CG 4.22Å |
| 266 | Y | 98.1 | Very high | 98 | Very high | 19 Ų | 19 | 15.9 Ų | 15.9 | 8% | 0.075 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -87.3 | -28.1 | -166.5 | -47.6 | -20.9 | 0 | 0 | 0 | 112.8 | V232 G262 L293 Q297 F300 | V232-Y266 HydrophobicContact CB-CD2 4.27Å; V232-Y266 HydrophobicContact CG1-CD2 4.13Å; V232-Y266 HydrophobicContact CG2-CD2 3.92Å; V232-Y266 HydrophobicContact CG2-CE2 4.15Å; G262-Y266 WeakPolarHBondContact O-CB 3.33Å; G262-Y266 WeakPolarHBondContact O-CD2 3.47Å; G262-Y266 PolarHBondContact O-N 3.07Å; Y266-L293 WeakPolarHBondContact CE1-O 3.36Å; Y266-L293 WeakPolarHBondContact OH-CA 3.38Å; Y266-L293 PolarHBondContact OH-O 2.92Å; Y266-Q297 HydrophobicContact CD1-CB 4.1Å; Y266-Q297 HydrophobicContact CD1-CG 3.76Å; Y266-Q297 HydrophobicContact CE1-CB 3.64Å; Y266-Q297 HydrophobicContact CE1-CG 3.83Å; Y266-F300 HydrophobicContact CD2-CB 3.94Å; Y266-F300 HydrophobicContact CD2-CD1 4.21Å; Y266-F300 HydrophobicContact CD2-CD2 4.04Å; Y266-F300 AromaticContact CD2-CG 3.77Å; Y266-F300 HydrophobicContact CD2-CG 3.77Å; Y266-F300 HydrophobicContact CE2-CB 4.34Å; Y266-F300 HydrophobicContact CG-CB 4.49Å; Y266-F300 HydrophobicContact CG-CD1 4.19Å; Y266-F300 HydrophobicContact CG-CG 4.21Å |
| 267 | I | 96.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 16.8 Ų | 16.8 | 6% | 0.062 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -100.3 | -46.8 | 178.5 | -54.8 | -59.6 | 0 | 0 | 0 | 111.5 | V232 H236 L263 F300 L307 | V232-I267 HydrophobicContact CG1-CD1 4.27Å; V232-I267 HydrophobicContact CG1-CG1 3.88Å; H236-I267 HydrophobicContact CB-CD1 4.33Å; H236-I267 HydrophobicContact CB-CG1 4.25Å; H236-I267 VanDerWaalsContact CD2-CD1 3.48Å; H236-I267 WeakPolarHBondContact CD2-CD1 3.42Å; L263-I267 HydrophobicContact CD1-CB 4.17Å; L263-I267 HydrophobicContact CD1-CG1 3.87Å; L263-I267 VanDerWaalsContact O-CB 3.29Å; L263-I267 WeakPolarHBondContact O-CB 3.46Å; L263-I267 PolarHBondContact O-N 2.87Å; L263-I267 VanDerWaalsContact O-N 3.11Å; I267-F300 HydrophobicContact CD1-CE1 4.04Å; I267-F300 HydrophobicContact CD1-CE2 4.43Å; I267-F300 HydrophobicContact CD1-CZ 3.49Å; I267-F300 VanDerWaalsContact CD1-CZ 3.49Å; I267-L307 HydrophobicContact CD1-CB 3.74Å; I267-L307 HydrophobicContact CD1-CD1 4.38Å |
| 268 | L | 94.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 17.8 Ų | 17.8 | 22% | 0.215 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.2 | -178.6 | -51.4 | -173.6 | 0 | 0 | 0 | 113.4 | L263 L264 W270 Y313 | L263-L268 PolarHBondContact O-N 3.47Å; L264-L268 HydrophobicContact CD2-CD1 3.69Å; L264-L268 CarbonylContact O-C 3.51Å; L264-L268 WeakPolarHBondContact O-CB 3.49Å; L264-L268 PolarHBondContact O-N 2.96Å; L268-W270 VanDerWaalsContact C-N 3.28Å; L268-W270 HydrophobicContact CB-CG 4.46Å; L268-W270 HydrophobicContact CD1-CZ2 4.07Å; L268-W270 VanDerWaalsContact O-CD1 3.23Å; L268-W270 PolarHBondContact O-N 3.16Å; L268-Y313 HydrophobicContact CD1-CD2 4.15Å; L268-Y313 HydrophobicContact CD1-CE2 4.21Å; L268-Y313 HydrophobicContact CD2-CD2 4.1Å; L268-Y313 HydrophobicContact CD2-CE2 3.76Å |
| 269 | G | 94.8 | Very high | 97.9 | Very high | 63 Ų | 63 | 17.7 Ų | 17.7 | 65% | 0.649 | 10% | 0.102 | S | C | * | . | trans | 68.7 | 23 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L264 M265 | L264-G269 PolarHBondContact O-N 2.96Å; M265-G269 VanDerWaalsContact O-CA 3.25Å; M265-G269 WeakPolarHBondContact O-CA 3.28Å; M265-G269 PolarHBondContact O-N 2.89Å | ||
| 270 | W | 96.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 17.8 Ų | 17.8 | 7% | 0.072 | 10% | 0.103 | C | C | . | . | trans | -76.8 | 145.2 | -179.6 | -68.3 | 12.8 | 0 | 0 | 0 | 111.7 | L264 L268 R274 V275 F278 T316 | L264-W270 HydrophobicContact CB-CE3 4.22Å; L264-W270 HydrophobicContact CD1-CE3 4.37Å; L264-W270 HydrophobicContact CD1-CZ3 4.12Å; L264-W270 HydrophobicContact CD2-CE3 4.35Å; L264-W270 HydrophobicContact CD2-CH2 3.99Å; L264-W270 HydrophobicContact CD2-CZ2 4.33Å; L264-W270 HydrophobicContact CD2-CZ3 4.01Å; L264-W270 HydrophobicContact CG-CZ3 4.48Å; L264-W270 WeakPolarHBondContact O-CB 3.34Å; L264-W270 PolarHBondContact O-N 2.95Å; L264-W270 VanDerWaalsContact O-N 3.11Å; L268-W270 VanDerWaalsContact C-N 3.28Å; L268-W270 HydrophobicContact CB-CG 4.46Å; L268-W270 HydrophobicContact CD1-CZ2 4.07Å; L268-W270 VanDerWaalsContact O-CD1 3.23Å; L268-W270 PolarHBondContact O-N 3.16Å; W270-R274 HydrophobicContact CB-CB 4.4Å; W270-R274 HydrophobicContact CB-CG 4.46Å; W270-R274 HydrophobicContact CD2-CG 4.03Å; W270-R274 HydrophobicContact CE3-CG 3.7Å; W270-R274 HydrophobicContact CG-CG 4.35Å; W270-R274 HydrophobicContact CZ3-CG 4.38Å; W270-V275 HydrophobicContact CB-CG2 3.72Å; W270-V275 HydrophobicContact CE3-CG2 4.01Å; W270-F278 HydrophobicContact CE3-CB 4.49Å; W270-F278 HydrophobicContact CH2-CD1 4.12Å; W270-F278 AromaticContact CH2-CD2 3.67Å; W270-F278 HydrophobicContact CH2-CD2 3.67Å; W270-F278 HydrophobicContact CH2-CE1 4.04Å; W270-F278 AromaticContact CH2-CE2 3.55Å; W270-F278 HydrophobicContact CH2-CE2 3.55Å; W270-F278 AromaticContact CH2-CG 3.94Å; W270-F278 HydrophobicContact CH2-CG 3.94Å; W270-F278 AromaticContact CH2-CZ 3.76Å; W270-F278 HydrophobicContact CH2-CZ 3.76Å; W270-F278 HydrophobicContact CZ3-CB 3.76Å; W270-F278 AromaticContact CZ3-CD1 3.69Å; W270-F278 HydrophobicContact CZ3-CD1 3.69Å; W270-F278 AromaticContact CZ3-CD2 3.54Å; W270-F278 HydrophobicContact CZ3-CD2 3.54Å; W270-F278 HydrophobicContact CZ3-CE1 4.08Å; W270-F278 AromaticContact CZ3-CE2 3.92Å; W270-F278 HydrophobicContact CZ3-CE2 3.92Å; W270-F278 AromaticContact CZ3-CG 3.4Å; W270-F278 HydrophobicContact CZ3-CG 3.4Å; W270-F278 VanDerWaalsContact CZ3-CG 3.4Å; W270-F278 HydrophobicContact CZ3-CZ 4.18Å; W270-T316 HydrophobicContact CH2-CG2 3.74Å; W270-T316 VanDerWaalsContact CZ2-CB 3.41Å; W270-T316 HydrophobicContact CZ2-CG2 3.43Å; W270-T316 VanDerWaalsContact CZ2-CG2 3.43Å | ||
| 271 | S | 97.8 | Very high | 97.8 | Very high | 48 Ų | 48 | 20 Ų | 20 | 34% | 0.336 | 12% | 0.118 | S | C | . | . | trans | -65 | 151.1 | 169.2 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | R273 R274 V275 | S271-R273 PolarHBondContact O-N 3.09Å; S271-R274 WeakPolarHBondContact O-CB 3.46Å; S271-R274 PolarHBondContact O-N 3.47Å; S271-R274 PolarHBondContact OG-N 3.05Å; S271-V275 PolarHBondContact O-N 2.94Å | ||
| 272 | L | 98.4 | Very high | 97.7 | Very high | 30 Ų | 30 | 24 Ų | 24 | 16% | 0.157 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -51.5 | -42.9 | 175.9 | 177.7 | 62.1 | 0 | 0 | 0 | 111.8 | M265 R274 V275 Q276 I288 E290 L293 V294 | M265-L272 HydrophobicContact CE-CB 4.17Å; M265-L272 HydrophobicContact CE-CD1 4.39Å; M265-L272 HydrophobicContact SD-CB 4.44Å; M265-L272 HydrophobicContact SD-CD1 3.88Å; L272-R274 PolarHBondContact O-N 3.01Å; L272-V275 PolarHBondContact O-N 2.97Å; L272-Q276 PolarHBondContact O-N 3.33Å; L272-I288 HydrophobicContact CD1-CG2 4.3Å; L272-E290 HydrophobicContact CD1-CB 4.48Å; L272-E290 HydrophobicContact CD1-CG 4.14Å; L272-E290 HydrophobicContact CD2-CB 3.82Å; L272-E290 HydrophobicContact CD2-CG 3.79Å; L272-E290 WeakPolarHBondContact CD2-OE2 3.36Å; L272-E290 HydrophobicContact CG-CG 4.26Å; L272-L293 HydrophobicContact CD1-CD1 3.93Å; L272-V294 HydrophobicContact CD2-CG2 4.27Å |
| 273 | R | 98.4 | Very high | 97.6 | Very high | 15 Ų | 15 | 24 Ų | 24 | 6% | 0.057 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 179.8 | -170.5 | 59.3 | 60.1 | -134.1 | -10.6 | 112.5 | N98 V100 C105 P107 S271 V275 Q276 Y277 E290 | N98-R273 HydrophobicContact CB-CG 4.41Å; N98-R273 PolarHBondContact OD1-NE 3.35Å; N98-R273 PolarHBondContact OD1-NH2 3.39Å; V100-R273 HydrophobicContact CG2-CB 4.07Å; V100-R273 HydrophobicContact CG2-CG 4.08Å; C105-R273 HydrophobicContact CB-CG 3.51Å; C105-R273 WeakPolarHBondContact O-CD 3.46Å; C105-R273 VanDerWaalsContact O-CG 3.3Å; C105-R273 WeakPolarHBondContact O-CG 3.29Å; C105-R273 PolarHBondContact O-NE 3.41Å; P107-R273 VanDerWaalsContact CA-CZ 3.44Å; S271-R273 PolarHBondContact O-N 3.09Å; R273-V275 VanDerWaalsContact C-N 3.33Å; R273-Q276 PolarHBondContact O-N 2.83Å; R273-Y277 HydrophobicContact CG-CD2 4.29Å; R273-Y277 HydrophobicContact CG-CE2 4.38Å; R273-Y277 WeakPolarHBondContact O-CD2 3.27Å; R273-Y277 PolarHBondContact O-N 3.42Å; R273-E290 IonicContact NH1-OE1 3.25Å; R273-E290 PolarHBondContact NH1-OE1 2.96Å; R273-E290 IonicContact NH2-OE1 3.29Å |
| 274 | R | 98.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.2 | -176.3 | 177.8 | 177.2 | 176 | 1.5 | 110.7 | V100 W270 S271 L272 F278 T316 | V100-R274 HydrophobicContact CG1-CB 3.76Å; V100-R274 HydrophobicContact CG1-CG 3.82Å; V100-R274 HydrophobicContact CG2-CB 4.04Å; W270-R274 HydrophobicContact CB-CB 4.4Å; W270-R274 HydrophobicContact CB-CG 4.46Å; W270-R274 HydrophobicContact CD2-CG 4.03Å; W270-R274 HydrophobicContact CE3-CG 3.7Å; W270-R274 HydrophobicContact CG-CG 4.35Å; W270-R274 HydrophobicContact CZ3-CG 4.38Å; S271-R274 WeakPolarHBondContact O-CB 3.46Å; S271-R274 PolarHBondContact O-N 3.47Å; S271-R274 PolarHBondContact OG-N 3.05Å; L272-R274 PolarHBondContact O-N 3.01Å; R274-F278 WeakPolarHBondContact O-CB 3.26Å; R274-F278 PolarHBondContact O-N 3.13Å; R274-T316 PolarHBondContact NH2-O 3.36Å; R274-T316 PolarHBondContact NH2-OXT 3.4Å |
| 275 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 178 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | C261 L264 M265 W270 S271 L272 R273 Y277 F278 V279 | C261-V275 HydrophobicContact CB-CG1 3.68Å; L264-V275 HydrophobicContact CB-CG1 4.46Å; L264-V275 HydrophobicContact CB-CG2 3.59Å; L264-V275 HydrophobicContact CD1-CG1 4.13Å; L264-V275 HydrophobicContact CD1-CG2 4.28Å; M265-V275 HydrophobicContact CG-CB 4.37Å; M265-V275 HydrophobicContact CG-CG2 3.72Å; W270-V275 HydrophobicContact CB-CG2 3.72Å; W270-V275 HydrophobicContact CE3-CG2 4.01Å; S271-V275 PolarHBondContact O-N 2.94Å; L272-V275 PolarHBondContact O-N 2.97Å; R273-V275 VanDerWaalsContact C-N 3.33Å; V275-Y277 PolarHBondContact O-N 3.29Å; V275-F278 PolarHBondContact O-N 3.45Å; V275-V279 HydrophobicContact CG1-CG2 4.09Å; V275-V279 WeakPolarHBondContact O-CB 3.47Å; V275-V279 WeakPolarHBondContact O-CG2 3.32Å; V275-V279 PolarHBondContact O-N 3.24Å |
| 276 | Q | 98.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.1 | -53 | 179 | -163.5 | -161.8 | 46.9 | 0 | 0 | 111.2 | I108 L272 R273 F278 A280 I288 E290 | I108-Q276 HydrophobicContact CD1-CG 4.26Å; L272-Q276 PolarHBondContact O-N 3.33Å; R273-Q276 PolarHBondContact O-N 2.83Å; Q276-F278 PolarHBondContact O-N 3.17Å; Q276-A280 WeakPolarHBondContact O-CB 3.28Å; Q276-A280 PolarHBondContact O-N 2.96Å; Q276-I288 HydrophobicContact CG-CB 4.45Å; Q276-I288 HydrophobicContact CG-CG1 4.07Å; Q276-I288 HydrophobicContact CG-CG2 4.47Å; Q276-E290 PolarHBondContact NE2-OE1 3.34Å |
| 277 | Y | 98.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.9 | -87.1 | -99 | 0 | 0 | 0 | 112.9 | R4 G6 T54 C105 H106 I108 R273 V275 S281 | R4-Y277 VanDerWaalsContact CD-CE1 3.43Å; R4-Y277 HydrophobicContact CG-CE1 3.74Å; R4-Y277 PolarHBondContact O-OH 3.05Å; G6-Y277 PolarHBondContact N-OH 2.88Å; T54-Y277 HydrophobicContact CG2-CD1 4.19Å; T54-Y277 HydrophobicContact CG2-CE1 3.91Å; C105-Y277 HydrophobicContact CB-CD2 4.09Å; C105-Y277 HydrophobicContact CB-CE2 3.7Å; H106-Y277 VanDerWaalsContact O-CE2 3.24Å; H106-Y277 WeakPolarHBondContact O-CE2 3.29Å; H106-Y277 PolarHBondContact O-OH 3.24Å; I108-Y277 HydrophobicContact CD1-CD1 3.99Å; I108-Y277 HydrophobicContact CD1-CD2 3.86Å; I108-Y277 HydrophobicContact CD1-CE1 4.16Å; I108-Y277 HydrophobicContact CD1-CE2 4.03Å; I108-Y277 HydrophobicContact CD1-CG 3.85Å; I108-Y277 HydrophobicContact CG1-CD1 4.34Å; I108-Y277 HydrophobicContact CG1-CD2 3.97Å; I108-Y277 HydrophobicContact CG1-CE1 4.02Å; I108-Y277 HydrophobicContact CG1-CE2 3.6Å; I108-Y277 HydrophobicContact CG1-CG 4.33Å; R273-Y277 HydrophobicContact CG-CD2 4.29Å; R273-Y277 HydrophobicContact CG-CE2 4.38Å; R273-Y277 WeakPolarHBondContact O-CD2 3.27Å; R273-Y277 PolarHBondContact O-N 3.42Å; V275-Y277 PolarHBondContact O-N 3.29Å; Y277-S281 VanDerWaalsContact O-CB 3.29Å; Y277-S281 WeakPolarHBondContact O-CB 3.46Å; Y277-S281 PolarHBondContact O-N 3.07Å; Y277-S281 VanDerWaalsContact O-N 3.08Å; Y277-S281 PolarHBondContact O-OG 3.44Å |
| 278 | F | 98.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 29 Ų | 29 | 10% | 0.101 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | -177.4 | -177.7 | -88.9 | 0 | 0 | 0 | 113 | V142 L143 L264 W270 R274 V275 Q276 S281 R282 | V142-F278 HydrophobicContact CG1-CD1 4.4Å; V142-F278 HydrophobicContact CG1-CE1 3.89Å; V142-F278 WeakPolarHBondContact O-CE1 3.43Å; L143-F278 HydrophobicContact CD2-CE1 4.11Å; L143-F278 HydrophobicContact CD2-CZ 3.83Å; L264-F278 HydrophobicContact CD1-CD1 3.97Å; L264-F278 HydrophobicContact CD1-CE1 4.32Å; W270-F278 HydrophobicContact CE3-CB 4.49Å; W270-F278 HydrophobicContact CH2-CD1 4.12Å; W270-F278 AromaticContact CH2-CD2 3.67Å; W270-F278 HydrophobicContact CH2-CD2 3.67Å; W270-F278 HydrophobicContact CH2-CE1 4.04Å; W270-F278 AromaticContact CH2-CE2 3.55Å; W270-F278 HydrophobicContact CH2-CE2 3.55Å; W270-F278 AromaticContact CH2-CG 3.94Å; W270-F278 HydrophobicContact CH2-CG 3.94Å; W270-F278 AromaticContact CH2-CZ 3.76Å; W270-F278 HydrophobicContact CH2-CZ 3.76Å; W270-F278 HydrophobicContact CZ3-CB 3.76Å; W270-F278 AromaticContact CZ3-CD1 3.69Å; W270-F278 HydrophobicContact CZ3-CD1 3.69Å; W270-F278 AromaticContact CZ3-CD2 3.54Å; W270-F278 HydrophobicContact CZ3-CD2 3.54Å; W270-F278 HydrophobicContact CZ3-CE1 4.08Å; W270-F278 AromaticContact CZ3-CE2 3.92Å; W270-F278 HydrophobicContact CZ3-CE2 3.92Å; W270-F278 AromaticContact CZ3-CG 3.4Å; W270-F278 HydrophobicContact CZ3-CG 3.4Å; W270-F278 VanDerWaalsContact CZ3-CG 3.4Å; W270-F278 HydrophobicContact CZ3-CZ 4.18Å; R274-F278 WeakPolarHBondContact O-CB 3.26Å; R274-F278 PolarHBondContact O-N 3.13Å; V275-F278 PolarHBondContact O-N 3.45Å; Q276-F278 PolarHBondContact O-N 3.17Å; F278-S281 PolarHBondContact O-OG 2.87Å; F278-R282 VanDerWaalsContact CG-NH1 3.34Å; F278-R282 VanDerWaalsContact CZ-NH1 3.33Å; F278-R282 PolarHBondContact O-NH1 2.7Å |
| 279 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -77.5 | -43.8 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | L148 T257 L264 V275 S281 R282 R283 V286 I288 | L148-V279 HydrophobicContact CD2-CG1 4.41Å; T257-V279 HydrophobicContact CG2-CG1 4.27Å; L264-V279 HydrophobicContact CD1-CG2 3.61Å; V275-V279 HydrophobicContact CG1-CG2 4.09Å; V275-V279 WeakPolarHBondContact O-CB 3.47Å; V275-V279 WeakPolarHBondContact O-CG2 3.32Å; V275-V279 PolarHBondContact O-N 3.24Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 2.94Å; V279-R282 PolarHBondContact O-N 2.97Å; V279-R282 VanDerWaalsContact O-N 3.08Å; V279-R283 PolarHBondContact O-N 3.02Å; V279-V286 HydrophobicContact CG1-CG1 4.28Å; V279-V286 HydrophobicContact CG1-CG2 3.99Å; V279-I288 HydrophobicContact CB-CD1 4.33Å; V279-I288 HydrophobicContact CG1-CD1 4.3Å |
| 280 | A | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -34.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I8 L52 I108 Q276 R282 R283 P284 | I8-A280 HydrophobicContact CD1-CB 4.3Å; L52-A280 HydrophobicContact CD2-CB 4.07Å; I108-A280 HydrophobicContact CD1-CB 3.9Å; Q276-A280 WeakPolarHBondContact O-CB 3.28Å; Q276-A280 PolarHBondContact O-N 2.96Å; A280-R282 PolarHBondContact O-N 2.92Å; A280-R283 CarbonylContact O-C 3.42Å; A280-P284 VanDerWaalsContact O-CA 3.26Å; A280-P284 WeakPolarHBondContact O-CA 3.22Å; A280-P284 WeakPolarHBondContact O-CD 3.35Å; A280-P284 WeakPolarHBondContact O-CG 3.19Å; A280-P284 VanDerWaalsContact O-N 3.14Å |
| 281 | S | 97.2 | Very high | 97.9 | Very high | 46 Ų | 46 | 31.6 Ų | 31.6 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.7 | -24.4 | 175.2 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | S41 Y277 F278 V279 | S41-S281 WeakPolarHBondContact CB-O 3.2Å; Y277-S281 VanDerWaalsContact O-CB 3.29Å; Y277-S281 WeakPolarHBondContact O-CB 3.46Å; Y277-S281 PolarHBondContact O-N 3.07Å; Y277-S281 VanDerWaalsContact O-N 3.08Å; Y277-S281 PolarHBondContact O-OG 3.44Å; F278-S281 PolarHBondContact O-OG 2.87Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 2.94Å |
| 282 | R | 96.9 | Very high | 97.9 | Very high | 84 Ų | 84 | 29.3 Ų | 29.3 | 32% | 0.317 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -96.3 | -31 | 179.1 | -66 | 176.8 | 171.1 | 60.6 | 3.6 | 113.1 | S140 V142 F278 V279 A280 | S140-R282 WeakPolarHBondContact CB-O 3.37Å; S140-R282 PolarHBondContact OG-O 3.13Å; V142-R282 VanDerWaalsContact O-CD 3.27Å; V142-R282 WeakPolarHBondContact O-CD 3.18Å; V142-R282 PolarHBondContact O-NE 3.45Å; F278-R282 VanDerWaalsContact CG-NH1 3.34Å; F278-R282 VanDerWaalsContact CZ-NH1 3.33Å; F278-R282 PolarHBondContact O-NH1 2.7Å; V279-R282 PolarHBondContact O-N 2.97Å; V279-R282 VanDerWaalsContact O-N 3.08Å; A280-R282 PolarHBondContact O-N 2.92Å |
| 283 | R | 97.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | trans | -144.3 | 87.1 | 177.9 | -168.5 | 178.5 | 179.4 | 81 | -4.8 | 109.5 | H138 S140 A251 G252 V279 A280 A285 V286 | H138-R283 PolarHBondContact ND1-NH1 3.35Å; H138-R283 PolarHBondContact O-NH1 2.7Å; H138-R283 PolarHBondContact O-NH2 2.88Å; S140-R283 WeakPolarHBondContact OG-CB 3.34Å; S140-R283 WeakPolarHBondContact OG-CG 3.2Å; S140-R283 PolarHBondContact OG-NH1 3.49Å; A251-R283 PolarHBondContact O-NH2 3Å; G252-R283 PolarHBondContact O-NE 2.76Å; V279-R283 PolarHBondContact O-N 3.02Å; A280-R283 CarbonylContact O-C 3.42Å; R283-A285 PolarHBondContact O-N 3.3Å; R283-A285 VanDerWaalsContact O-N 3.13Å; R283-V286 HydrophobicContact CB-CG1 3.81Å; R283-V286 HydrophobicContact CG-CG1 3.69Å; R283-V286 WeakPolarHBondContact O-CG1 3.36Å; R283-V286 WeakPolarHBondContact O-CG2 3.39Å; R283-V286 PolarHBondContact O-N 2.87Å | ||
| 284 | P | 96.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18 | -175.6 | -20.6 | 31.3 | 0 | 0 | 0 | 114 | P50 L52 A280 V286 | P50-P284 HydrophobicContact CB-CB 4.36Å; P50-P284 HydrophobicContact CG-CB 4.49Å; P50-P284 VanDerWaalsContact O-CB 3.31Å; P50-P284 WeakPolarHBondContact O-CB 3.44Å; P50-P284 WeakPolarHBondContact O-CG 3.48Å; L52-P284 HydrophobicContact CB-CB 4.42Å; L52-P284 HydrophobicContact CB-CG 4.46Å; A280-P284 VanDerWaalsContact O-CA 3.26Å; A280-P284 WeakPolarHBondContact O-CA 3.22Å; A280-P284 WeakPolarHBondContact O-CD 3.35Å; A280-P284 WeakPolarHBondContact O-CG 3.19Å; A280-P284 VanDerWaalsContact O-N 3.14Å; P284-V286 PolarHBondContact O-N 2.8Å |
| 285 | A | 96.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -2.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P50 F127 V253 R283 | P50-A285 HydrophobicContact CG-CB 3.61Å; F127-A285 HydrophobicContact CD1-CB 4.08Å; F127-A285 HydrophobicContact CD2-CB 4.28Å; F127-A285 HydrophobicContact CE1-CB 3.96Å; F127-A285 HydrophobicContact CE2-CB 4.16Å; F127-A285 HydrophobicContact CG-CB 4.24Å; F127-A285 HydrophobicContact CZ-CB 4.01Å; V253-A285 VanDerWaalsContact CG1-O 3.25Å; V253-A285 WeakPolarHBondContact CG1-O 3.33Å; V253-A285 WeakPolarHBondContact CG2-O 3.39Å; R283-A285 PolarHBondContact O-N 3.3Å; R283-A285 VanDerWaalsContact O-N 3.13Å |
| 286 | V | 97.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | trans | -75.4 | 149.1 | -175.9 | -67.2 | 0 | 0 | 0 | 0 | 113.2 | L148 T257 V279 R283 P284 I288 | L148-V286 HydrophobicContact CD2-CG1 3.9Å; T257-V286 HydrophobicContact CG2-CB 3.68Å; T257-V286 HydrophobicContact CG2-CG1 3.89Å; T257-V286 HydrophobicContact CG2-CG2 4.33Å; T257-V286 WeakPolarHBondContact OG1-CG1 3.45Å; V279-V286 HydrophobicContact CG1-CG1 4.28Å; V279-V286 HydrophobicContact CG1-CG2 3.99Å; R283-V286 HydrophobicContact CB-CG1 3.81Å; R283-V286 HydrophobicContact CG-CG1 3.69Å; R283-V286 WeakPolarHBondContact O-CG1 3.36Å; R283-V286 WeakPolarHBondContact O-CG2 3.39Å; R283-V286 PolarHBondContact O-N 2.87Å; P284-V286 PolarHBondContact O-N 2.8Å; V286-I288 HydrophobicContact CG2-CD1 4.05Å; V286-I288 HydrophobicContact CG2-CG1 4.41Å | ||
| 287 | Y | 97.6 | Very high | 97.9 | Very high | 95 Ų | 95 | 36 Ų | 36 | 37% | 0.373 | 18% | 0.175 | S | C | . | . | trans | -102.2 | 122 | 167.6 | 174.8 | -99.8 | 0 | 0 | 0 | 109 | V253 D289 | V253-Y287 PolarHBondContact O-N 3.35Å; Y287-D289 HydrophobicContact CD1-CB 4.14Å; Y287-D289 HydrophobicContact CE1-CB 3.62Å | ||
| 288 | I | 97.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | trans | -96 | 102.8 | 177.3 | -55.1 | -65.5 | 0 | 0 | 0 | 108.2 | T257 C261 L272 Q276 V279 V286 E290 L293 | T257-I288 HydrophobicContact CG2-CD1 3.83Å; C261-I288 VanDerWaalsContact SG-CD1 3.55Å; L272-I288 HydrophobicContact CD1-CG2 4.3Å; Q276-I288 HydrophobicContact CG-CB 4.45Å; Q276-I288 HydrophobicContact CG-CG1 4.07Å; Q276-I288 HydrophobicContact CG-CG2 4.47Å; V279-I288 HydrophobicContact CB-CD1 4.33Å; V279-I288 HydrophobicContact CG1-CD1 4.3Å; V286-I288 HydrophobicContact CG2-CD1 4.05Å; V286-I288 HydrophobicContact CG2-CG1 4.41Å; I288-E290 VanDerWaalsContact C-N 3.3Å; I288-E290 HydrophobicContact CG2-CG 4.19Å; I288-E290 PolarHBondContact O-N 2.89Å; I288-L293 HydrophobicContact CG2-CD1 4Å | ||
| 289 | D | 97.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | trans | -77.4 | 80.5 | 176.3 | -162.9 | -30.8 | 0 | 0 | 0 | 110.1 | R224 Y287 E291 A292 L293 | R224-D289 WeakPolarHBondContact CD-OD2 3.46Å; R224-D289 IonicContact CZ-OD2 4Å; R224-D289 IonicContact NE-OD2 3.84Å; R224-D289 IonicContact NH1-OD2 2.96Å; R224-D289 PolarHBondContact NH1-OD2 3.34Å; Y287-D289 HydrophobicContact CD1-CB 4.14Å; Y287-D289 HydrophobicContact CE1-CB 3.62Å; D289-E291 PolarHBondContact O-N 2.85Å; D289-A292 HydrophobicContact CB-CB 4.05Å; D289-A292 VanDerWaalsContact CG-CB 3.4Å; D289-A292 PolarHBondContact O-N 2.93Å; D289-A292 WeakPolarHBondContact OD1-CB 3.48Å; D289-A292 PolarHBondContact OD1-N 2.89Å; D289-L293 WeakPolarHBondContact O-CB 2.97Å; D289-L293 WeakPolarHBondContact O-CD1 3.37Å; D289-L293 VanDerWaalsContact O-CG 3.27Å; D289-L293 WeakPolarHBondContact O-CG 3.14Å; D289-L293 PolarHBondContact O-N 3.07Å | ||
| 290 | E | 98.2 | Very high | 97.8 | Very high | 66 Ų | 66 | 44 Ų | 44 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.9 | -39.6 | -178.2 | -64.4 | -158.2 | 180 | 0 | 0 | 111.4 | L272 R273 Q276 I288 V294 | L272-E290 HydrophobicContact CD1-CB 4.48Å; L272-E290 HydrophobicContact CD1-CG 4.14Å; L272-E290 HydrophobicContact CD2-CB 3.82Å; L272-E290 HydrophobicContact CD2-CG 3.79Å; L272-E290 WeakPolarHBondContact CD2-OE2 3.36Å; L272-E290 HydrophobicContact CG-CG 4.26Å; R273-E290 IonicContact NH1-OE1 3.25Å; R273-E290 PolarHBondContact NH1-OE1 2.96Å; R273-E290 IonicContact NH2-OE1 3.29Å; Q276-E290 PolarHBondContact NE2-OE1 3.34Å; I288-E290 VanDerWaalsContact C-N 3.3Å; I288-E290 HydrophobicContact CG2-CG 4.19Å; I288-E290 PolarHBondContact O-N 2.89Å; E290-V294 VanDerWaalsContact O-CG2 3.32Å; E290-V294 WeakPolarHBondContact O-CG2 3.32Å; E290-V294 PolarHBondContact O-N 2.94Å |
| 291 | E | 98.3 | Very high | 97.8 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -53.6 | 179.4 | -177.1 | 179.3 | 179.4 | 0 | 0 | 111.6 | T221 D289 L293 V294 Q295 | T221-E291 HydrophobicContact CG2-CB 4.15Å; T221-E291 HydrophobicContact CG2-CG 3.95Å; D289-E291 PolarHBondContact O-N 2.85Å; E291-L293 VanDerWaalsContact C-N 3.28Å; E291-L293 PolarHBondContact O-N 3.27Å; E291-V294 PolarHBondContact O-N 3.31Å; E291-Q295 HydrophobicContact CG-CG 4.44Å; E291-Q295 WeakPolarHBondContact O-CB 3.4Å; E291-Q295 WeakPolarHBondContact O-CG 3.16Å; E291-Q295 PolarHBondContact O-N 2.92Å; E291-Q295 PolarHBondContact OE1-NE2 3.05Å |
| 292 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T221 R224 I225 L228 D289 A296 | T221-A292 HydrophobicContact CG2-CB 3.97Å; R224-A292 HydrophobicContact CB-CB 3.83Å; I225-A292 HydrophobicContact CG1-CB 3.85Å; L228-A292 HydrophobicContact CD1-CB 4.01Å; L228-A292 WeakPolarHBondContact CD1-O 3.35Å; D289-A292 HydrophobicContact CB-CB 4.05Å; D289-A292 VanDerWaalsContact CG-CB 3.4Å; D289-A292 PolarHBondContact O-N 2.93Å; D289-A292 WeakPolarHBondContact OD1-CB 3.48Å; D289-A292 PolarHBondContact OD1-N 2.89Å; A292-A296 VanDerWaalsContact O-CB 3.27Å; A292-A296 WeakPolarHBondContact O-CB 3.12Å; A292-A296 PolarHBondContact O-N 3.28Å |
| 293 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 179.6 | -74.7 | 168.1 | 0 | 0 | 0 | 112.5 | L228 C261 M265 Y266 L272 I288 D289 E291 | L228-L293 HydrophobicContact CD1-CD2 4.4Å; L228-L293 HydrophobicContact CD2-CD2 4.26Å; C261-L293 HydrophobicContact CB-CD1 3.64Å; C261-L293 HydrophobicContact CB-CD2 3.62Å; C261-L293 HydrophobicContact CB-CG 4.27Å; M265-L293 HydrophobicContact CE-CB 4.33Å; M265-L293 HydrophobicContact SD-CB 3.83Å; M265-L293 HydrophobicContact SD-CD1 4.03Å; M265-L293 HydrophobicContact SD-CD2 4.12Å; M265-L293 HydrophobicContact SD-CG 4.22Å; Y266-L293 WeakPolarHBondContact CE1-O 3.36Å; Y266-L293 WeakPolarHBondContact OH-CA 3.38Å; Y266-L293 PolarHBondContact OH-O 2.92Å; L272-L293 HydrophobicContact CD1-CD1 3.93Å; I288-L293 HydrophobicContact CG2-CD1 4Å; D289-L293 WeakPolarHBondContact O-CB 2.97Å; D289-L293 WeakPolarHBondContact O-CD1 3.37Å; D289-L293 VanDerWaalsContact O-CG 3.27Å; D289-L293 WeakPolarHBondContact O-CG 3.14Å; D289-L293 PolarHBondContact O-N 3.07Å; E291-L293 VanDerWaalsContact C-N 3.28Å; E291-L293 PolarHBondContact O-N 3.27Å |
| 294 | V | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 55 Ų | 55 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.8 | -46.3 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L272 E290 E291 A296 Q297 | L272-V294 HydrophobicContact CD2-CG2 4.27Å; E290-V294 VanDerWaalsContact O-CG2 3.32Å; E290-V294 WeakPolarHBondContact O-CG2 3.32Å; E290-V294 PolarHBondContact O-N 2.94Å; E291-V294 PolarHBondContact O-N 3.31Å; V294-A296 PolarHBondContact O-N 3.32Å; V294-Q297 WeakPolarHBondContact O-CB 3.21Å; V294-Q297 PolarHBondContact O-N 2.65Å |
| 295 | Q | 98.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | -176.1 | -70.5 | -166.8 | 40 | 0 | 0 | 113.1 | I225 E291 Q297 | I225-Q295 HydrophobicContact CD1-CB 3.91Å; I225-Q295 HydrophobicContact CD1-CG 4.39Å; I225-Q295 HydrophobicContact CG1-CB 4.13Å; E291-Q295 HydrophobicContact CG-CG 4.44Å; E291-Q295 WeakPolarHBondContact O-CB 3.4Å; E291-Q295 WeakPolarHBondContact O-CG 3.16Å; E291-Q295 PolarHBondContact O-N 2.92Å; E291-Q295 PolarHBondContact OE1-NE2 3.05Å; Q295-Q297 VanDerWaalsContact C-N 3.33Å; Q295-Q297 PolarHBondContact O-N 2.89Å |
| 296 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -78 | -13 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | I225 L228 P229 A292 V294 Q298 D299 F300 | I225-A296 HydrophobicContact CG2-CB 4.41Å; L228-A296 HydrophobicContact CB-CB 3.72Å; L228-A296 HydrophobicContact CD1-CB 3.79Å; L228-A296 HydrophobicContact CG-CB 4.41Å; P229-A296 HydrophobicContact CG-CB 4.32Å; A292-A296 VanDerWaalsContact O-CB 3.27Å; A292-A296 WeakPolarHBondContact O-CB 3.12Å; A292-A296 PolarHBondContact O-N 3.28Å; V294-A296 PolarHBondContact O-N 3.32Å; A296-Q298 PolarHBondContact O-N 3.01Å; A296-D299 PolarHBondContact O-N 3.24Å; A296-F300 PolarHBondContact O-N 3.41Å |
| 297 | Q | 97.9 | Very high | 97.2 | Very high | 77 Ų | 77 | 65.3 Ų | 65.3 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | -173 | -174 | 171.6 | 14.9 | 0 | 0 | 112.9 | Y266 V294 Q295 F300 T301 | Y266-Q297 HydrophobicContact CD1-CB 4.1Å; Y266-Q297 HydrophobicContact CD1-CG 3.76Å; Y266-Q297 HydrophobicContact CE1-CB 3.64Å; Y266-Q297 HydrophobicContact CE1-CG 3.83Å; V294-Q297 WeakPolarHBondContact O-CB 3.21Å; V294-Q297 PolarHBondContact O-N 2.65Å; Q295-Q297 VanDerWaalsContact C-N 3.33Å; Q295-Q297 PolarHBondContact O-N 2.89Å; Q297-F300 PolarHBondContact O-N 3.11Å; Q297-T301 PolarHBondContact O-N 3.23Å; Q297-T301 VanDerWaalsContact O-N 3.07Å; Q297-T301 PolarHBondContact O-OG1 3.28Å |
| 298 | Q | 97.2 | Very high | 96.5 | Very high | 154 Ų | 154 | 70.7 Ų | 70.7 | 72% | 0.72 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 179 | -174.9 | 176.5 | 5.3 | 0 | 0 | 111.1 | A296 F300 T301 Q302 | A296-Q298 PolarHBondContact O-N 3.01Å; Q298-F300 VanDerWaalsContact C-N 3.35Å; Q298-F300 PolarHBondContact O-N 2.84Å; Q298-T301 PolarHBondContact O-N 3.3Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 PolarHBondContact O-N 2.82Å |
| 299 | D | 98.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 70.9 Ų | 70.9 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 178.2 | -174.6 | 42.9 | 0 | 0 | 0 | 111.6 | P229 A296 T301 Q302 K303 | P229-D299 HydrophobicContact CG-CB 4.2Å; P229-D299 WeakPolarHBondContact CG-OD2 3.24Å; A296-D299 PolarHBondContact O-N 3.24Å; D299-T301 PolarHBondContact O-N 3.02Å; D299-Q302 PolarHBondContact O-N 2.93Å; D299-K303 WeakPolarHBondContact O-CB 2.95Å; D299-K303 WeakPolarHBondContact O-CG 3.28Å; D299-K303 PolarHBondContact O-N 3.33Å; D299-K303 WeakPolarHBondContact OD1-CE 3.3Å; D299-K303 IonicContact OD1-NZ 3.1Å; D299-K303 PolarHBondContact OD1-NZ 2.89Å; D299-K303 VanDerWaalsContact OD2-CE 3.32Å; D299-K303 WeakPolarHBondContact OD2-CE 3.41Å; D299-K303 IonicContact OD2-NZ 3.21Å; D299-K303 PolarHBondContact OD2-NZ 3.06Å |
| 300 | F | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.009 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 171.3 | 178.2 | -89 | 0 | 0 | 0 | 112 | P229 V232 F233 Y266 I267 A296 Q297 Q298 Q302 K303 F304 L307 | P229-F300 HydrophobicContact CB-CB 4.06Å; P229-F300 HydrophobicContact CB-CD2 4.27Å; P229-F300 HydrophobicContact CG-CB 4.36Å; P229-F300 WeakPolarHBondContact O-CD2 3.39Å; V232-F300 HydrophobicContact CB-CD2 4.18Å; V232-F300 HydrophobicContact CB-CE2 3.96Å; V232-F300 HydrophobicContact CG1-CD2 4.17Å; V232-F300 HydrophobicContact CG1-CE2 3.63Å; V232-F300 HydrophobicContact CG1-CZ 4.1Å; F233-F300 HydrophobicContact CB-CE2 4.4Å; Y266-F300 HydrophobicContact CD2-CB 3.94Å; Y266-F300 HydrophobicContact CD2-CD1 4.21Å; Y266-F300 HydrophobicContact CD2-CD2 4.04Å; Y266-F300 AromaticContact CD2-CG 3.77Å; Y266-F300 HydrophobicContact CD2-CG 3.77Å; Y266-F300 HydrophobicContact CE2-CB 4.34Å; Y266-F300 HydrophobicContact CG-CB 4.49Å; Y266-F300 HydrophobicContact CG-CD1 4.19Å; Y266-F300 HydrophobicContact CG-CG 4.21Å; I267-F300 HydrophobicContact CD1-CE1 4.04Å; I267-F300 HydrophobicContact CD1-CE2 4.43Å; I267-F300 HydrophobicContact CD1-CZ 3.49Å; I267-F300 VanDerWaalsContact CD1-CZ 3.49Å; A296-F300 PolarHBondContact O-N 3.41Å; Q297-F300 PolarHBondContact O-N 3.11Å; Q298-F300 VanDerWaalsContact C-N 3.35Å; Q298-F300 PolarHBondContact O-N 2.84Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 2.93Å; F300-K303 PolarHBondContact O-N 3.37Å; F300-F304 AromaticContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CE2 4.21Å; F300-F304 HydrophobicContact CE2-CB 4.3Å; F300-F304 AromaticContact CE2-CD2 3.64Å; F300-F304 HydrophobicContact CE2-CD2 3.64Å; F300-F304 HydrophobicContact CE2-CE2 4.41Å; F300-F304 HydrophobicContact CE2-CG 4.31Å; F300-F304 HydrophobicContact CG-CD2 4.28Å; F300-F304 HydrophobicContact CZ-CB 4.19Å; F300-F304 HydrophobicContact CZ-CD2 4.36Å; F300-F304 PolarHBondContact O-N 2.7Å; F300-L307 HydrophobicContact CZ-CD1 4.23Å |
| 301 | T | 97.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 74.3 Ų | 74.3 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | -178.7 | -54 | 0 | 0 | 0 | 0 | 111.4 | Q297 Q298 D299 G305 | Q297-T301 PolarHBondContact O-N 3.23Å; Q297-T301 VanDerWaalsContact O-N 3.07Å; Q297-T301 PolarHBondContact O-OG1 3.28Å; Q298-T301 PolarHBondContact O-N 3.3Å; D299-T301 PolarHBondContact O-N 3.02Å; T301-G305 WeakPolarHBondContact O-CA 3.35Å; T301-G305 PolarHBondContact O-N 3.31Å |
| 302 | Q | 98.1 | Very high | 92.7 | Very high | 156 Ų | 156 | 73.8 Ų | 73.8 | 73% | 0.729 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.5 | -38.9 | 177.8 | -176.1 | 175.7 | -4.7 | 0 | 0 | 112.3 | Q298 D299 F300 | Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 PolarHBondContact O-N 2.82Å; D299-Q302 PolarHBondContact O-N 2.93Å; F300-Q302 VanDerWaalsContact C-N 3.32Å; F300-Q302 PolarHBondContact O-N 2.93Å |
| 303 | K | 98.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 74.6 Ų | 74.6 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76.3 | -42.4 | -178.9 | -75.7 | 171.6 | 173.1 | 166.2 | 0 | 113.4 | P229 D299 F300 | P229-K303 HydrophobicContact CB-CD 4.19Å; D299-K303 WeakPolarHBondContact O-CB 2.95Å; D299-K303 WeakPolarHBondContact O-CG 3.28Å; D299-K303 PolarHBondContact O-N 3.33Å; D299-K303 WeakPolarHBondContact OD1-CE 3.3Å; D299-K303 IonicContact OD1-NZ 3.1Å; D299-K303 PolarHBondContact OD1-NZ 2.89Å; D299-K303 VanDerWaalsContact OD2-CE 3.32Å; D299-K303 WeakPolarHBondContact OD2-CE 3.41Å; D299-K303 IonicContact OD2-NZ 3.21Å; D299-K303 PolarHBondContact OD2-NZ 3.06Å; F300-K303 PolarHBondContact O-N 3.37Å |
| 304 | F | 97.8 | Very high | 89 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 24% | 0.237 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -123.1 | -6.5 | -165.6 | -53.2 | -64.1 | 0 | 0 | 0 | 114.1 | P229 F233 F300 L307 | P229-F304 HydrophobicContact CB-CE2 4Å; P229-F304 VanDerWaalsContact O-CE2 3.28Å; P229-F304 WeakPolarHBondContact O-CE2 3.45Å; F233-F304 HydrophobicContact CB-CD1 4.18Å; F233-F304 HydrophobicContact CB-CD2 3.99Å; F233-F304 HydrophobicContact CB-CE1 3.97Å; F233-F304 HydrophobicContact CB-CE2 3.77Å; F233-F304 HydrophobicContact CB-CG 4.18Å; F233-F304 HydrophobicContact CB-CZ 3.75Å; F233-F304 HydrophobicContact CD1-CD1 4.31Å; F233-F304 AromaticContact CD1-CE1 3.88Å; F233-F304 HydrophobicContact CD1-CE1 3.88Å; F233-F304 HydrophobicContact CD1-CZ 4.3Å; F233-F304 HydrophobicContact CD2-CB 4.05Å; F233-F304 AromaticContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD1 3.3Å; F233-F304 HydrophobicContact CD2-CD2 4.27Å; F233-F304 AromaticContact CD2-CE1 3.73Å; F233-F304 HydrophobicContact CD2-CE1 3.73Å; F233-F304 AromaticContact CD2-CG 3.6Å; F233-F304 HydrophobicContact CD2-CG 3.6Å; F233-F304 HydrophobicContact CD2-CZ 4.37Å; F233-F304 HydrophobicContact CE1-CE1 4.31Å; F233-F304 AromaticContact CE2-CD1 3.66Å; F233-F304 HydrophobicContact CE2-CD1 3.66Å; F233-F304 HydrophobicContact CE2-CE1 4.17Å; F233-F304 HydrophobicContact CE2-CG 4.27Å; F233-F304 AromaticContact CG-CD1 3.67Å; F233-F304 HydrophobicContact CG-CD1 3.67Å; F233-F304 HydrophobicContact CG-CD2 4.36Å; F233-F304 AromaticContact CG-CE1 3.57Å; F233-F304 HydrophobicContact CG-CE1 3.57Å; F233-F304 HydrophobicContact CG-CE2 4.28Å; F233-F304 HydrophobicContact CG-CG 4.07Å; F233-F304 AromaticContact CG-CZ 3.89Å; F233-F304 HydrophobicContact CG-CZ 3.89Å; F233-F304 HydrophobicContact CZ-CD1 4.3Å; F233-F304 HydrophobicContact CZ-CE1 4.44Å; F300-F304 AromaticContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CD2 3.59Å; F300-F304 HydrophobicContact CD2-CE2 4.21Å; F300-F304 HydrophobicContact CE2-CB 4.3Å; F300-F304 AromaticContact CE2-CD2 3.64Å; F300-F304 HydrophobicContact CE2-CD2 3.64Å; F300-F304 HydrophobicContact CE2-CE2 4.41Å; F300-F304 HydrophobicContact CE2-CG 4.31Å; F300-F304 HydrophobicContact CG-CD2 4.28Å; F300-F304 HydrophobicContact CZ-CB 4.19Å; F300-F304 HydrophobicContact CZ-CD2 4.36Å; F300-F304 PolarHBondContact O-N 2.7Å; F304-L307 HydrophobicContact CB-CD1 4.07Å; F304-L307 HydrophobicContact CB-CG 4.47Å |
| 305 | G | 94.5 | Very high | 86.8 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | trans | 72.1 | -162.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | T301 L307 | T301-G305 WeakPolarHBondContact O-CA 3.35Å; T301-G305 PolarHBondContact O-N 3.31Å; G305-L307 PolarHBondContact O-N 2.93Å | ||
| 306 | Q | 90.8 | Very high | 84.3 | Confident | 165 Ų | 165 | 83 Ų | 83 | 77% | 0.771 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -89.7 | 77.2 | 177.1 | -67.2 | -175.2 | -1.3 | 0 | 0 | 110.6 | ||
| 307 | L | 89.3 | Confident | 83.6 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | trans | -67.3 | 140.9 | 173.1 | -61.2 | -177.9 | 0 | 0 | 0 | 110.3 | F233 I267 F300 F304 G305 | F233-L307 HydrophobicContact CD2-CD1 3.72Å; F233-L307 HydrophobicContact CE2-CD1 3.95Å; I267-L307 HydrophobicContact CD1-CB 3.74Å; I267-L307 HydrophobicContact CD1-CD1 4.38Å; F300-L307 HydrophobicContact CZ-CD1 4.23Å; F304-L307 HydrophobicContact CB-CD1 4.07Å; F304-L307 HydrophobicContact CB-CG 4.47Å; G305-L307 PolarHBondContact O-N 2.93Å | ||
| 308 | R | 83.7 | Confident | 82.9 | Confident | 207 Ų | 207 | 87.6 Ų | 87.6 | 78% | 0.781 | 46% | 0.458 | S | S | * | . | trans | -121.8 | 138.1 | 175.3 | -64 | -175.2 | -178.7 | -173.6 | -0.2 | 108.5 | ||||
| 309 | S | 80.1 | Confident | 82.1 | Confident | 28 Ų | 28 | 83.9 Ų | 83.9 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | trans | -74 | 134.3 | 173.7 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | E240 I311 | E240-S309 WeakPolarHBondContact OE1-CA 3.25Å; E240-S309 PolarHBondContact OE1-OG 3.29Å; S309-I311 WeakPolarHBondContact OG-CB 3.22Å; S309-I311 PolarHBondContact OG-N 2.98Å | ||
| 310 | S | 80.1 | Confident | 81.1 | Confident | 101 Ų | 101 | 85.7 Ų | 85.7 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | trans | -80.1 | -9.5 | 168.8 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | E240 | E240-S310 PolarHBondContact OE1-N 3.41Å; E240-S310 VanDerWaalsContact OE1-N 3.08Å; E240-S310 VanDerWaalsContact OE2-CB 3.29Å; E240-S310 WeakPolarHBondContact OE2-CB 3.09Å; E240-S310 PolarHBondContact OE2-N 2.81Å; E240-S310 PolarHBondContact OE2-OG 3.3Å | ||
| 311 | I | 78.8 | Confident | 80 | Confident | 39 Ų | 39 | 90.9 Ų | 90.9 | 20% | 0.2 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -84 | 121.5 | -177.4 | -55.1 | 164.6 | 0 | 0 | 0 | 109 | L239 S309 Y313 | L239-I311 VanDerWaalsContact C-CD1 3.49Å; L239-I311 HydrophobicContact CB-CD1 3.82Å; L239-I311 VanDerWaalsContact O-CD1 3.26Å; L239-I311 WeakPolarHBondContact O-CD1 3.48Å; S309-I311 WeakPolarHBondContact OG-CB 3.22Å; S309-I311 PolarHBondContact OG-N 2.98Å; I311-Y313 HydrophobicContact CB-CE2 4.08Å; I311-Y313 HydrophobicContact CG2-CD1 4.45Å; I311-Y313 HydrophobicContact CG2-CE1 4.05Å; I311-Y313 HydrophobicContact CG2-CE2 4.18Å; I311-Y313 WeakPolarHBondContact O-CD2 3.29Å; I311-Y313 WeakPolarHBondContact O-CE2 3.49Å |
| 312 | S | 72.3 | Confident | 78.9 | Confident | 98 Ų | 98 | 92.7 Ų | 92.7 | 69% | 0.685 | 49% | 0.487 | S | S | * | . | trans | -73.5 | 127.8 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 109 | P314 | S312-P314 WeakPolarHBondContact O-CD 3.36Š| ||
| 313 | Y | 69.5 | Low | 77.5 | Confident | 18 Ų | 18 | 88.2 Ų | 88.2 | 7% | 0.071 | 47% | 0.469 | C | S | . | . | trans | -101.1 | 100.7 | 170.3 | -62.5 | -82.8 | 0 | 0 | 0 | 107.3 | L143 L268 I311 E315 T316 | L143-Y313 HydrophobicContact CB-CD1 4.16Å; L143-Y313 HydrophobicContact CB-CE1 4.17Å; L143-Y313 HydrophobicContact CD1-CD1 4.08Å; L143-Y313 HydrophobicContact CD1-CE1 3.77Å; L143-Y313 HydrophobicContact CD2-CD1 4.03Å; L143-Y313 HydrophobicContact CD2-CG 4.46Å; L143-Y313 HydrophobicContact CG-CD1 4.33Å; L143-Y313 HydrophobicContact CG-CE1 4.4Å; L268-Y313 HydrophobicContact CD1-CD2 4.15Å; L268-Y313 HydrophobicContact CD1-CE2 4.21Å; L268-Y313 HydrophobicContact CD2-CD2 4.1Å; L268-Y313 HydrophobicContact CD2-CE2 3.76Å; I311-Y313 HydrophobicContact CB-CE2 4.08Å; I311-Y313 HydrophobicContact CG2-CD1 4.45Å; I311-Y313 HydrophobicContact CG2-CE1 4.05Å; I311-Y313 HydrophobicContact CG2-CE2 4.18Å; I311-Y313 WeakPolarHBondContact O-CD2 3.29Å; I311-Y313 WeakPolarHBondContact O-CE2 3.49Å; Y313-E315 PolarHBondContact O-N 3.44Å; Y313-T316 HydrophobicContact CG-CG2 4.22Å; Y313-T316 PolarHBondContact O-N 3.15Å; Y313-T316 PolarHBondContact O-OG1 3.25Å; Y313-T316 VanDerWaalsContact O-OG1 3.13Å | ||
| 314 | P | 50.5 | Low | 75.9 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 68% | 0.682 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 2.5 | -165.6 | -22.2 | 34.4 | 0 | 0 | 0 | 116.3 | S312 | S312-P314 WeakPolarHBondContact O-CD 3.36Š|
| 315 | E | 52.3 | Low | 74.1 | Confident | 170 Ų | 170 | 90.8 Ų | 90.8 | 79% | 0.794 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.8 | 35.9 | -174.9 | -64.3 | -176.4 | 164.7 | 0 | 0 | 112.2 | Y313 | Y313-E315 PolarHBondContact O-N 3.44Š|
| 316 | T | 47.1 | Very low | 72.2 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | trans | -98.3 | 0 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | L143 W270 R274 Y313 | L143-T316 HydrophobicContact CD2-CG2 3.93Å; W270-T316 HydrophobicContact CH2-CG2 3.74Å; W270-T316 VanDerWaalsContact CZ2-CB 3.41Å; W270-T316 HydrophobicContact CZ2-CG2 3.43Å; W270-T316 VanDerWaalsContact CZ2-CG2 3.43Å; R274-T316 PolarHBondContact NH2-O 3.36Å; R274-T316 PolarHBondContact NH2-OXT 3.4Å; Y313-T316 HydrophobicContact CG-CG2 4.22Å; Y313-T316 PolarHBondContact O-N 3.15Å; Y313-T316 PolarHBondContact O-OG1 3.25Å; Y313-T316 VanDerWaalsContact O-OG1 3.13Å |
Retrieved 316 of 316 residues in 96.9 ms
(Link to these results)