| 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 | 45.1 | Very low | 79.4 | Confident | 226 Ų | 226 | 49.5 Ų | 49.5 | 100% | 1.113 | 23% | 0.234 | S | C | * | . | 0 | 154.9 | 0 | -60.2 | 175.4 | -171.3 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 2.69Š| |||
| 2 | E | 52.4 | Low | 79.7 | Confident | 112 Ų | 112 | 53.3 Ų | 53.3 | 52% | 0.523 | 26% | 0.263 | S | S | . | . | trans | -69.4 | 114.2 | 162.6 | -79.9 | -159.6 | 129.9 | 0 | 0 | 107.9 | R4 K37 | E2-R4 HydrophobicContact CB-CG 4.36Å; E2-R4 IonicContact OE2-CZ 3.55Å; E2-R4 VanDerWaalsContact OE2-CZ 3.26Å; E2-R4 IonicContact OE2-NE 3.8Å; E2-R4 PolarHBondContact OE2-NE 3.1Å; E2-R4 IonicContact OE2-NH2 2.66Å; E2-R4 PolarHBondContact OE2-NH2 2.93Å; E2-K37 IonicContact OE1-NZ 2.66Å; E2-K37 PolarHBondContact OE1-NZ 3.44Å; E2-K37 IonicContact OE2-NZ 3.91Å; E2-K37 PolarHBondContact OE2-NZ 2.89Å | ||
| 3 | L | 59.2 | Low | 79.9 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | trans | -84.4 | 120.8 | 170.6 | -64.6 | 162.6 | 0 | 0 | 0 | 107.4 | M1 G35 V36 D78 W79 | M1-L3 PolarHBondContact O-N 2.69Å; L3-G35 CarbonylContact O-C 3.52Å; L3-V36 WeakPolarHBondContact O-CA 3.49Å; L3-V36 PolarHBondContact O-N 2.77Å; L3-D78 HydrophobicContact CD2-CB 3.83Å; L3-W79 VanDerWaalsContact CD1-CE2 3.49Å; L3-W79 HydrophobicContact CD1-CH2 4.38Å; L3-W79 HydrophobicContact CD1-CZ2 3.38Å | ||
| 4 | R | 76.3 | Confident | 80.5 | Confident | 143 Ų | 143 | 56.3 Ų | 56.3 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | trans | -108.9 | -39.7 | -169.5 | -67.1 | -180 | 172.6 | -171.6 | -1.3 | 111.9 | E2 K37 E38 D78 | E2-R4 HydrophobicContact CB-CG 4.36Å; E2-R4 IonicContact OE2-CZ 3.55Å; E2-R4 VanDerWaalsContact OE2-CZ 3.26Å; E2-R4 IonicContact OE2-NE 3.8Å; E2-R4 PolarHBondContact OE2-NE 3.1Å; E2-R4 IonicContact OE2-NH2 2.66Å; E2-R4 PolarHBondContact OE2-NH2 2.93Å; R4-K37 PolarHBondContact O-N 2.71Å; R4-E38 PolarHBondContact O-N 2.73Å; R4-D78 PolarHBondContact N-OD2 3.15Å | ||
| 5 | S | 88.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.2 | -171.8 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | Q76 A77 D78 W79 | S5-Q76 PolarHBondContact OG-O 2.62Å; S5-A77 WeakPolarHBondContact OG-CA 3.37Å; S5-D78 PolarHBondContact N-OD2 3.37Å; S5-D78 PolarHBondContact O-N 2.81Å; S5-D78 PolarHBondContact OG-N 3.02Å; S5-D78 VanDerWaalsContact OG-N 3.08Å; S5-D78 PolarHBondContact OG-OD2 3.16Å; S5-W79 PolarHBondContact O-N 2.96Å |
| 6 | L | 91.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.3 | 173 | 169 | 57.8 | 0 | 0 | 0 | 109.7 | V8 L31 V36 E38 L39 V40 W79 I81 | L6-V8 HydrophobicContact CD1-CG2 4.5Å; L6-V8 HydrophobicContact CG-CG2 4.22Å; L6-L31 HydrophobicContact CD2-CD1 3.85Å; L6-L31 HydrophobicContact CD2-CD2 3.45Å; L6-L31 VanDerWaalsContact CD2-CD2 3.45Å; L6-L31 HydrophobicContact CD2-CG 4.3Å; L6-V36 HydrophobicContact CB-CG1 3.81Å; L6-E38 PolarHBondContact N-O 2.85Å; L6-L39 HydrophobicContact CB-CD1 4.17Å; L6-L39 HydrophobicContact CD2-CD1 3.76Å; L6-L39 HydrophobicContact CG-CD1 3.76Å; L6-L39 WeakPolarHBondContact O-CA 3.39Å; L6-V40 PolarHBondContact O-N 2.73Å; L6-W79 HydrophobicContact CD1-CB 3.71Å; L6-I81 HydrophobicContact CD1-CD1 3.92Å; L6-I81 HydrophobicContact CD1-CG1 3.93Å; L6-I81 HydrophobicContact CD2-CD1 3.92Å; L6-I81 HydrophobicContact CG-CD1 4.43Å |
| 7 | F | 94.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.6 | 171.8 | 176.4 | -131.8 | 0 | 0 | 0 | 111 | T9 V40 Q42 F64 L70 C73 F74 A77 W79 V80 I81 | F7-T9 HydrophobicContact CE1-CG2 4.09Å; F7-T9 HydrophobicContact CZ-CG2 4.32Å; F7-V40 CarbonylContact C-O 3.51Å; F7-V40 WeakPolarHBondContact CA-O 3.12Å; F7-V40 HydrophobicContact CD2-CB 4.03Å; F7-V40 HydrophobicContact CD2-CG1 3.87Å; F7-V40 WeakPolarHBondContact CD2-O 3.1Å; F7-V40 HydrophobicContact CE2-CG1 4.3Å; F7-Q42 HydrophobicContact CE2-CB 4.06Å; F7-Q42 HydrophobicContact CZ-CB 4.29Å; F7-F64 HydrophobicContact CE2-CE1 4.08Å; F7-F64 AromaticContact CE2-CZ 3.8Å; F7-F64 HydrophobicContact CE2-CZ 3.8Å; F7-F64 HydrophobicContact CZ-CZ 4.19Å; F7-L70 HydrophobicContact CZ-CD2 4.42Å; F7-C73 HydrophobicContact CD1-CB 3.89Å; F7-C73 HydrophobicContact CD2-CB 3.94Å; F7-C73 HydrophobicContact CE1-CB 3.76Å; F7-C73 HydrophobicContact CE2-CB 3.82Å; F7-C73 HydrophobicContact CG-CB 3.99Å; F7-C73 HydrophobicContact CZ-CB 3.73Å; F7-F74 HydrophobicContact CD1-CD1 4.34Å; F7-F74 HydrophobicContact CD1-CE1 4.4Å; F7-F74 HydrophobicContact CD1-CG 4.48Å; F7-F74 HydrophobicContact CE1-CD1 4.43Å; F7-F74 HydrophobicContact CE1-CD2 4.17Å; F7-F74 HydrophobicContact CE1-CE1 4.23Å; F7-F74 AromaticContact CE1-CE2 3.96Å; F7-F74 HydrophobicContact CE1-CE2 3.96Å; F7-F74 HydrophobicContact CE1-CG 4.39Å; F7-F74 AromaticContact CE1-CZ 3.98Å; F7-F74 HydrophobicContact CE1-CZ 3.98Å; F7-A77 HydrophobicContact CB-CB 3.51Å; F7-W79 PolarHBondContact N-O 3.2Å; F7-V80 CarbonylContact O-C 3.57Å; F7-V80 WeakPolarHBondContact O-CA 3.34Å; F7-I81 PolarHBondContact O-N 3.35Å |
| 8 | V | 94.7 | Very high | 83 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | L6 L18 V22 L39 V40 L41 Q42 I81 | L6-V8 HydrophobicContact CD1-CG2 4.5Å; L6-V8 HydrophobicContact CG-CG2 4.22Å; V8-L18 HydrophobicContact CG1-CD2 4.21Å; V8-L18 HydrophobicContact CG1-CG 4.32Å; V8-V22 HydrophobicContact CG1-CG2 4.24Å; V8-V22 HydrophobicContact CG2-CG1 4.21Å; V8-V22 HydrophobicContact CG2-CG2 4.38Å; V8-L39 HydrophobicContact CG2-CD1 3.8Å; V8-V40 PolarHBondContact N-O 3.01Å; V8-L41 HydrophobicContact CB-CD2 3.6Å; V8-L41 HydrophobicContact CG1-CD2 4.35Å; V8-L41 HydrophobicContact CG2-CD2 3.59Å; V8-Q42 PolarHBondContact O-N 3.4Å; V8-I81 CarbonylContact C-O 3.51Å; V8-I81 VanDerWaalsContact CA-O 3.23Å; V8-I81 WeakPolarHBondContact CA-O 3.22Å; V8-I81 HydrophobicContact CB-CB 4.46Å; V8-I81 HydrophobicContact CG1-CB 4.13Å; V8-I81 HydrophobicContact CG1-CG2 4.12Å; V8-I81 HydrophobicContact CG2-CB 4.13Å; V8-I81 HydrophobicContact CG2-CD1 4.24Å |
| 9 | T | 94.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.2 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 115.4 | F7 G11 Q42 F74 I81 H83 | F7-T9 HydrophobicContact CE1-CG2 4.09Å; F7-T9 HydrophobicContact CZ-CG2 4.32Å; T9-G11 PolarHBondContact OG1-N 2.74Å; T9-Q42 VanDerWaalsContact OG1-CD 3.3Å; T9-Q42 PolarHBondContact OG1-OE1 2.78Å; T9-F74 HydrophobicContact CG2-CZ 4.45Å; T9-I81 PolarHBondContact N-O 3.44Å; T9-H83 PolarHBondContact O-N 2.82Å; T9-H83 PolarHBondContact O-ND1 2.69Å |
| 10 | V | 91.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -94.2 | 6.4 | 165.8 | -49.4 | 0 | 0 | 0 | 0 | 112.5 | T12 T13 F15 L18 I19 Q42 I43 H83 | V10-T12 PolarHBondContact O-N 3.39Å; V10-T13 WeakPolarHBondContact O-CB 3.16Å; V10-T13 PolarHBondContact O-N 2.77Å; V10-T13 PolarHBondContact O-OG1 3.48Å; V10-F15 HydrophobicContact CB-CB 4.2Å; V10-F15 HydrophobicContact CG1-CB 3.87Å; V10-F15 HydrophobicContact CG1-CD1 4.42Å; V10-L18 HydrophobicContact CG1-CD2 4.17Å; V10-I19 HydrophobicContact CG1-CD1 3.93Å; V10-I19 HydrophobicContact CG1-CG1 4.36Å; V10-Q42 PolarHBondContact N-O 2.73Å; V10-I43 WeakPolarHBondContact CG2-O 2.9Å; V10-H83 VanDerWaalsContact C-CE1 3.4Å; V10-H83 PolarHBondContact O-NE2 2.59Å | ||
| 11 | G | 85.8 | Confident | 84.3 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -119.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T9 Q42 H83 | T9-G11 PolarHBondContact OG1-N 2.74Å; G11-Q42 PolarHBondContact O-NE2 3.03Å; G11-H83 PolarHBondContact N-CE1 3.34Å |
| 12 | T | 82.2 | Confident | 86.5 | Confident | 95 Ų | 95 | 37.6 Ų | 37.6 | 58% | 0.583 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | 10.7 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 113 | V10 K45 Y66 | V10-T12 PolarHBondContact O-N 3.39Å; T12-K45 VanDerWaalsContact O-CD 3.28Å; T12-K45 WeakPolarHBondContact O-CD 2.94Å; T12-K45 VanDerWaalsContact O-CE 3.23Å; T12-K45 WeakPolarHBondContact O-CE 2.99Å; T12-K45 WeakPolarHBondContact O-CG 3.13Å; T12-Y66 HydrophobicContact CG2-CE1 4.22Å |
| 13 | T | 83 | Confident | 88.2 | Confident | 35 Ų | 35 | 33 Ų | 33 | 22% | 0.215 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -87 | 172.7 | -179.7 | 71.1 | 0 | 0 | 0 | 0 | 112 | V10 K45 | V10-T13 WeakPolarHBondContact O-CB 3.16Å; V10-T13 PolarHBondContact O-N 2.77Å; V10-T13 PolarHBondContact O-OG1 3.48Å; T13-K45 PolarHBondContact O-N 3.4Å |
| 14 | E | 87.7 | Confident | 89.7 | Confident | 114 Ų | 114 | 32.5 Ų | 32.5 | 53% | 0.533 | 16% | 0.162 | S | C | . | . | trans | -104.8 | 119.5 | 165.9 | 178.4 | 171.9 | 176.7 | 0 | 0 | 107.1 | K45 N104 | E14-K45 HydrophobicContact CB-CB 4.11Å; E14-N104 PolarHBondContact O-ND2 2.71Å | ||
| 15 | F | 91 | Very high | 90.1 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.022 | 16% | 0.164 | C | C | . | . | trans | -153.2 | 57.7 | -180 | -170.1 | -164.9 | 0 | 0 | 0 | 110.2 | V10 E17 L18 H83 V102 V103 N104 A130 | V10-F15 HydrophobicContact CB-CB 4.2Å; V10-F15 HydrophobicContact CG1-CB 3.87Å; V10-F15 HydrophobicContact CG1-CD1 4.42Å; F15-E17 HydrophobicContact CD2-CB 4.21Å; F15-E17 HydrophobicContact CE2-CB 4.03Å; F15-E17 PolarHBondContact O-N 3.15Å; F15-E17 VanDerWaalsContact O-N 3.13Å; F15-L18 HydrophobicContact CD1-CB 3.6Å; F15-L18 HydrophobicContact CD1-CD2 3.84Å; F15-L18 HydrophobicContact CD1-CG 4.37Å; F15-L18 HydrophobicContact CD2-CB 4.15Å; F15-L18 HydrophobicContact CE1-CB 3.59Å; F15-L18 HydrophobicContact CE1-CD2 3.86Å; F15-L18 HydrophobicContact CE1-CG 4.3Å; F15-L18 HydrophobicContact CE2-CB 4.12Å; F15-L18 HydrophobicContact CG-CB 3.89Å; F15-L18 HydrophobicContact CZ-CB 3.85Å; F15-L18 PolarHBondContact O-N 2.6Å; F15-H83 HydrophobicContact CD1-CB 4.16Å; F15-V102 HydrophobicContact CE1-CB 4.42Å; F15-V102 HydrophobicContact CE1-CG1 4.11Å; F15-V102 HydrophobicContact CZ-CG1 3.98Å; F15-V103 VanDerWaalsContact CZ-O 3.31Å; F15-V103 WeakPolarHBondContact CZ-O 3.04Å; F15-N104 HydrophobicContact CD1-CB 3.84Å; F15-N104 HydrophobicContact CD2-CB 3.81Å; F15-N104 HydrophobicContact CE1-CB 3.74Å; F15-N104 HydrophobicContact CE2-CB 3.73Å; F15-N104 HydrophobicContact CG-CB 3.88Å; F15-N104 VanDerWaalsContact CZ-CA 3.42Å; F15-N104 HydrophobicContact CZ-CB 3.69Å; F15-A130 HydrophobicContact CE2-CB 3.97Å; F15-A130 HydrophobicContact CZ-CB 3.91Å | ||
| 16 | D | 91.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.3 | -28.6 | -178 | -77.4 | -8.9 | 0 | 0 | 0 | 113.2 | L18 I19 R20 G46 S47 Y48 | D16-L18 PolarHBondContact O-N 2.78Å; D16-I19 PolarHBondContact O-N 2.81Å; D16-R20 VanDerWaalsContact CB-CZ 3.42Å; D16-R20 WeakPolarHBondContact O-CB 3.39Å; D16-R20 VanDerWaalsContact O-CG 3.3Å; D16-R20 WeakPolarHBondContact O-CG 2.91Å; D16-R20 PolarHBondContact O-N 2.81Å; D16-R20 IonicContact OD2-CZ 3.44Å; D16-R20 IonicContact OD2-NH2 3.6Å; D16-R20 PolarHBondContact OD2-NH2 2.86Å; D16-G46 VanDerWaalsContact OD1-C 3.23Å; D16-G46 WeakPolarHBondContact OD1-CA 3.13Å; D16-S47 PolarHBondContact OD1-N 2.7Å; D16-S47 WeakPolarHBondContact OD2-CB 3.42Å; D16-S47 PolarHBondContact OD2-N 2.71Å; D16-S47 PolarHBondContact OD2-OG 3.13Å; D16-Y48 VanDerWaalsContact CG-CB 3.47Å; D16-Y48 PolarHBondContact OD1-N 3.43Å; D16-Y48 VanDerWaalsContact OD1-N 3.12Å; D16-Y48 PolarHBondContact OD2-N 2.74Å; D16-Y48 VanDerWaalsContact OD2-N 3.14Å |
| 17 | E | 91 | Very high | 90.1 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 40% | 0.402 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 179.1 | -61.9 | -170.5 | 143.7 | 0 | 0 | 112.4 | F15 R20 A21 A130 | F15-E17 HydrophobicContact CD2-CB 4.21Å; F15-E17 HydrophobicContact CE2-CB 4.03Å; F15-E17 PolarHBondContact O-N 3.15Å; F15-E17 VanDerWaalsContact O-N 3.13Å; E17-R20 PolarHBondContact O-N 2.93Å; E17-A21 WeakPolarHBondContact O-CB 2.86Å; E17-A21 PolarHBondContact O-N 3.27Å; E17-A130 HydrophobicContact CB-CB 4.08Å |
| 18 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 172.9 | 172.7 | 57.4 | 0 | 0 | 0 | 111.3 | V8 V10 F15 D16 A21 V22 I81 V102 L133 | V8-L18 HydrophobicContact CG1-CD2 4.21Å; V8-L18 HydrophobicContact CG1-CG 4.32Å; V10-L18 HydrophobicContact CG1-CD2 4.17Å; F15-L18 HydrophobicContact CD1-CB 3.6Å; F15-L18 HydrophobicContact CD1-CD2 3.84Å; F15-L18 HydrophobicContact CD1-CG 4.37Å; F15-L18 HydrophobicContact CD2-CB 4.15Å; F15-L18 HydrophobicContact CE1-CB 3.59Å; F15-L18 HydrophobicContact CE1-CD2 3.86Å; F15-L18 HydrophobicContact CE1-CG 4.3Å; F15-L18 HydrophobicContact CE2-CB 4.12Å; F15-L18 HydrophobicContact CG-CB 3.89Å; F15-L18 HydrophobicContact CZ-CB 3.85Å; F15-L18 PolarHBondContact O-N 2.6Å; D16-L18 PolarHBondContact O-N 2.78Å; L18-A21 PolarHBondContact O-N 3.06Å; L18-V22 HydrophobicContact CD1-CG2 3.83Å; L18-V22 WeakPolarHBondContact O-CB 2.97Å; L18-V22 WeakPolarHBondContact O-CG2 3.26Å; L18-V22 PolarHBondContact O-N 3.36Å; L18-I81 HydrophobicContact CD1-CG2 4.05Å; L18-I81 HydrophobicContact CD2-CG2 4.47Å; L18-V102 HydrophobicContact CD1-CB 3.96Å; L18-V102 HydrophobicContact CD1-CG1 4.05Å; L18-V102 HydrophobicContact CD1-CG2 3.84Å; L18-V102 HydrophobicContact CD2-CB 4.31Å; L18-L133 HydrophobicContact CD1-CD2 3.83Å |
| 19 | I | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 179.8 | -52.2 | -55.8 | 0 | 0 | 0 | 110.6 | V10 D16 C23 I43 Y48 P50 | V10-I19 HydrophobicContact CG1-CD1 3.93Å; V10-I19 HydrophobicContact CG1-CG1 4.36Å; D16-I19 PolarHBondContact O-N 2.81Å; I19-C23 WeakPolarHBondContact O-CB 3.09Å; I19-C23 PolarHBondContact O-N 2.78Å; I19-C23 PolarHBondContact O-SG 2.86Å; I19-C23 VanDerWaalsContact O-SG 3.4Å; I19-I43 HydrophobicContact CD1-CG2 4.11Å; I19-I43 HydrophobicContact CG1-CG2 4.21Å; I19-I43 HydrophobicContact CG2-CG2 4.14Å; I19-Y48 HydrophobicContact CB-CD1 4.05Å; I19-Y48 HydrophobicContact CG2-CD1 3.71Å; I19-Y48 HydrophobicContact CG2-CE1 3.99Å; I19-P50 HydrophobicContact CG2-CB 4.35Å; I19-P50 HydrophobicContact CG2-CG 3.76Å |
| 20 | R | 91.5 | Very high | 89.1 | Confident | 108 Ų | 108 | 40.6 Ų | 40.6 | 41% | 0.408 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 173.1 | -69.3 | 171.7 | -166.7 | 128.4 | 8 | 112.2 | D16 E17 C23 S24 Y48 | D16-R20 VanDerWaalsContact CB-CZ 3.42Å; D16-R20 WeakPolarHBondContact O-CB 3.39Å; D16-R20 VanDerWaalsContact O-CG 3.3Å; D16-R20 WeakPolarHBondContact O-CG 2.91Å; D16-R20 PolarHBondContact O-N 2.81Å; D16-R20 IonicContact OD2-CZ 3.44Å; D16-R20 IonicContact OD2-NH2 3.6Å; D16-R20 PolarHBondContact OD2-NH2 2.86Å; E17-R20 PolarHBondContact O-N 2.93Å; R20-C23 CarbonylContact O-C 3.58Å; R20-C23 PolarHBondContact O-N 3.25Å; R20-S24 PolarHBondContact O-N 2.57Å; R20-S24 VanDerWaalsContact O-N 3.12Å; R20-Y48 HydrophobicContact CB-CE1 4.28Å; R20-Y48 HydrophobicContact CG-CD1 3.57Å; R20-Y48 HydrophobicContact CG-CD2 4.09Å; R20-Y48 HydrophobicContact CG-CE1 3.53Å; R20-Y48 HydrophobicContact CG-CE2 4.05Å; R20-Y48 HydrophobicContact CG-CG 3.85Å |
| 21 | A | 92.1 | Very high | 88.9 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -43.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E17 L18 S24 S27 A130 L133 | E17-A21 WeakPolarHBondContact O-CB 2.86Å; E17-A21 PolarHBondContact O-N 3.27Å; L18-A21 PolarHBondContact O-N 3.06Å; A21-S24 WeakPolarHBondContact O-CB 2.96Å; A21-S24 PolarHBondContact O-N 3.39Å; A21-S24 PolarHBondContact O-OG 2.82Å; A21-S27 VanDerWaalsContact O-CB 3.24Å; A21-S27 WeakPolarHBondContact O-CB 2.91Å; A21-S27 PolarHBondContact O-OG 2.69Å; A21-A130 WeakPolarHBondContact CB-O 3.14Å; A21-L133 HydrophobicContact CB-CB 4.21Å; A21-L133 HydrophobicContact CB-CD2 3.77Å |
| 22 | V | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | V8 L18 S24 S27 L39 L41 I81 L133 | V8-V22 HydrophobicContact CG1-CG2 4.24Å; V8-V22 HydrophobicContact CG2-CG1 4.21Å; V8-V22 HydrophobicContact CG2-CG2 4.38Å; L18-V22 HydrophobicContact CD1-CG2 3.83Å; L18-V22 WeakPolarHBondContact O-CB 2.97Å; L18-V22 WeakPolarHBondContact O-CG2 3.26Å; L18-V22 PolarHBondContact O-N 3.36Å; V22-S24 PolarHBondContact O-N 3.44Å; V22-S27 WeakPolarHBondContact O-CB 3.1Å; V22-L39 HydrophobicContact CG1-CD1 4.01Å; V22-L39 HydrophobicContact CG1-CD2 3.81Å; V22-L41 HydrophobicContact CG1-CD2 4.08Å; V22-I81 HydrophobicContact CG2-CD1 4.39Å; V22-L133 HydrophobicContact CG2-CD2 3.58Å |
| 23 | C | 89.1 | Confident | 88.8 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 11.6 | 179.6 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | I19 R20 F28 P50 | I19-C23 WeakPolarHBondContact O-CB 3.09Å; I19-C23 PolarHBondContact O-N 2.78Å; I19-C23 PolarHBondContact O-SG 2.86Å; I19-C23 VanDerWaalsContact O-SG 3.4Å; R20-C23 CarbonylContact O-C 3.58Å; R20-C23 PolarHBondContact O-N 3.25Å; C23-F28 HydrophobicContact CB-CE2 4.4Å; C23-F28 HydrophobicContact CB-CZ 3.96Å; C23-F28 VanDerWaalsContact O-CE2 3.25Å; C23-F28 WeakPolarHBondContact O-CE2 3.14Å; C23-P50 HydrophobicContact CB-CB 4.13Å; C23-P50 VanDerWaalsContact SG-CB 3.52Å |
| 24 | S | 89.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74 | 148.6 | 175.9 | 74 | 0 | 0 | 0 | 0 | 111.3 | R20 A21 V22 Q26 S27 F28 | R20-S24 PolarHBondContact O-N 2.57Å; R20-S24 VanDerWaalsContact O-N 3.12Å; A21-S24 WeakPolarHBondContact O-CB 2.96Å; A21-S24 PolarHBondContact O-N 3.39Å; A21-S24 PolarHBondContact O-OG 2.82Å; V22-S24 PolarHBondContact O-N 3.44Å; S24-Q26 PolarHBondContact O-N 2.71Å; S24-Q26 VanDerWaalsContact O-N 3.16Å; S24-S27 PolarHBondContact O-N 2.99Å; S24-S27 VanDerWaalsContact O-N 3.14Å; S24-S27 WeakPolarHBondContact OG-CB 3.1Å; S24-S27 PolarHBondContact OG-N 2.68Å; S24-S27 PolarHBondContact OG-OG 3.06Å; S24-S27 VanDerWaalsContact OG-OG 3.14Å; S24-F28 PolarHBondContact O-N 2.85Å |
| 25 | P | 85.6 | Confident | 88.7 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 59% | 0.591 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58 | -29.9 | 177.4 | -27.1 | 35.5 | 0 | 0 | 0 | 114 | A29 | P25-A29 WeakPolarHBondContact O-CB 2.79Å; P25-A29 PolarHBondContact O-N 2.83Å; P25-A29 VanDerWaalsContact O-N 3.1Å |
| 26 | Q | 88.9 | Confident | 88.4 | Confident | 130 Ų | 130 | 44.9 Ų | 44.9 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.3 | -50.2 | 175.2 | -65.9 | -177.8 | -2.5 | 0 | 0 | 111.1 | S24 F28 A29 I30 P134 | S24-Q26 PolarHBondContact O-N 2.71Å; S24-Q26 VanDerWaalsContact O-N 3.16Å; Q26-F28 PolarHBondContact O-N 2.73Å; Q26-A29 PolarHBondContact O-N 2.64Å; Q26-I30 WeakPolarHBondContact O-CG1 3.06Å; Q26-I30 PolarHBondContact O-N 2.84Å; Q26-I30 VanDerWaalsContact O-N 3.08Å; Q26-P134 HydrophobicContact CB-CB 4.41Å |
| 27 | S | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.1 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | A21 V22 S24 A29 I30 L31 | A21-S27 VanDerWaalsContact O-CB 3.24Å; A21-S27 WeakPolarHBondContact O-CB 2.91Å; A21-S27 PolarHBondContact O-OG 2.69Å; V22-S27 WeakPolarHBondContact O-CB 3.1Å; S24-S27 PolarHBondContact O-N 2.99Å; S24-S27 VanDerWaalsContact O-N 3.14Å; S24-S27 WeakPolarHBondContact OG-CB 3.1Å; S24-S27 PolarHBondContact OG-N 2.68Å; S24-S27 PolarHBondContact OG-OG 3.06Å; S24-S27 VanDerWaalsContact OG-OG 3.14Å; S27-A29 PolarHBondContact O-N 3.38Å; S27-I30 PolarHBondContact O-N 2.98Å; S27-L31 WeakPolarHBondContact O-CB 3.31Å; S27-L31 VanDerWaalsContact O-CG 3.24Å; S27-L31 WeakPolarHBondContact O-CG 2.84Å; S27-L31 PolarHBondContact O-N 2.77Å |
| 28 | F | 88 | Confident | 87.9 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.8 | -71.7 | -39 | 0 | 0 | 0 | 113.2 | C23 S24 Q26 I30 L31 R32 L39 P53 Y58 P59 V61 | C23-F28 HydrophobicContact CB-CE2 4.4Å; C23-F28 HydrophobicContact CB-CZ 3.96Å; C23-F28 VanDerWaalsContact O-CE2 3.25Å; C23-F28 WeakPolarHBondContact O-CE2 3.14Å; S24-F28 PolarHBondContact O-N 2.85Å; Q26-F28 PolarHBondContact O-N 2.73Å; F28-I30 VanDerWaalsContact C-N 3.33Å; F28-I30 PolarHBondContact O-N 3.1Å; F28-L31 PolarHBondContact O-N 2.75Å; F28-R32 WeakPolarHBondContact O-CB 3.48Å; F28-R32 PolarHBondContact O-N 2.58Å; F28-L39 HydrophobicContact CE1-CD2 3.74Å; F28-P53 HydrophobicContact CE2-CG 4.45Å; F28-Y58 HydrophobicContact CB-CD1 3.79Å; F28-Y58 HydrophobicContact CB-CE1 4.38Å; F28-Y58 AromaticContact CD2-CD1 3.44Å; F28-Y58 HydrophobicContact CD2-CD1 3.44Å; F28-Y58 VanDerWaalsContact CD2-CD1 3.44Å; F28-Y58 AromaticContact CD2-CE1 3.96Å; F28-Y58 HydrophobicContact CD2-CE1 3.96Å; F28-Y58 HydrophobicContact CD2-CG 4.22Å; F28-Y58 HydrophobicContact CE2-CD1 4.19Å; F28-Y58 AromaticContact CG-CD1 3.86Å; F28-Y58 HydrophobicContact CG-CD1 3.86Å; F28-P59 HydrophobicContact CD1-CG 3.8Å; F28-P59 HydrophobicContact CE1-CG 4.08Å; F28-V61 HydrophobicContact CE1-CG2 4.24Å; F28-V61 HydrophobicContact CZ-CG2 4.14Å |
| 29 | A | 85 | Confident | 87.8 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 51% | 0.512 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P25 Q26 S27 S33 | P25-A29 WeakPolarHBondContact O-CB 2.79Å; P25-A29 PolarHBondContact O-N 2.83Å; P25-A29 VanDerWaalsContact O-N 3.1Å; Q26-A29 PolarHBondContact O-N 2.64Å; S27-A29 PolarHBondContact O-N 3.38Å; A29-S33 PolarHBondContact O-N 3.1Å |
| 30 | I | 88.7 | Confident | 87.7 | Confident | 33 Ų | 33 | 50 Ų | 50 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 178.2 | -64.9 | 168 | 0 | 0 | 0 | 110.9 | Q26 S27 F28 R32 S33 K34 P134 L137 | Q26-I30 WeakPolarHBondContact O-CG1 3.06Å; Q26-I30 PolarHBondContact O-N 2.84Å; Q26-I30 VanDerWaalsContact O-N 3.08Å; S27-I30 PolarHBondContact O-N 2.98Å; F28-I30 VanDerWaalsContact C-N 3.33Å; F28-I30 PolarHBondContact O-N 3.1Å; I30-R32 VanDerWaalsContact C-N 3.33Å; I30-R32 PolarHBondContact O-N 3.41Å; I30-S33 WeakPolarHBondContact O-CB 2.96Å; I30-S33 PolarHBondContact O-N 2.91Å; I30-S33 PolarHBondContact O-OG 3.42Å; I30-K34 PolarHBondContact O-N 2.6Å; I30-K34 VanDerWaalsContact O-N 3.09Å; I30-P134 HydrophobicContact CD1-CB 4.17Å; I30-P134 VanDerWaalsContact CD1-O 3.27Å; I30-P134 WeakPolarHBondContact CD1-O 3.36Å; I30-L137 HydrophobicContact CG2-CB 3.92Å; I30-L137 WeakPolarHBondContact CG2-O 3.01Å |
| 31 | L | 87.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 176.8 | -70.8 | 174.2 | 0 | 0 | 0 | 111.8 | L6 S27 F28 S33 K34 G35 V36 L137 | L6-L31 HydrophobicContact CD2-CD1 3.85Å; L6-L31 HydrophobicContact CD2-CD2 3.45Å; L6-L31 VanDerWaalsContact CD2-CD2 3.45Å; L6-L31 HydrophobicContact CD2-CG 4.3Å; S27-L31 WeakPolarHBondContact O-CB 3.31Å; S27-L31 VanDerWaalsContact O-CG 3.24Å; S27-L31 WeakPolarHBondContact O-CG 2.84Å; S27-L31 PolarHBondContact O-N 2.77Å; F28-L31 PolarHBondContact O-N 2.75Å; L31-S33 PolarHBondContact O-N 3.48Å; L31-K34 CarbonylContact O-C 3.58Å; L31-K34 PolarHBondContact O-N 3.44Å; L31-G35 PolarHBondContact O-N 2.67Å; L31-G35 VanDerWaalsContact O-N 3.14Å; L31-V36 HydrophobicContact CB-CB 4.32Å; L31-V36 HydrophobicContact CD2-CG2 4.33Å; L31-V36 PolarHBondContact O-N 2.79Å; L31-V36 VanDerWaalsContact O-N 3.1Å; L31-L137 HydrophobicContact CD2-CD1 4.41Å; L31-L137 HydrophobicContact CD2-CD2 4.06Å; L31-L137 HydrophobicContact CG-CD1 4.41Å |
| 32 | R | 82.1 | Confident | 87.8 | Confident | 150 Ų | 150 | 44.3 Ų | 44.3 | 57% | 0.566 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.4 | -41.4 | 172.3 | -171.2 | -172.2 | -175.4 | -151.3 | 4.1 | 111.8 | F28 I30 K34 G35 P57 | F28-R32 WeakPolarHBondContact O-CB 3.48Å; F28-R32 PolarHBondContact O-N 2.58Å; I30-R32 VanDerWaalsContact C-N 3.33Å; I30-R32 PolarHBondContact O-N 3.41Å; R32-K34 PolarHBondContact O-N 2.71Å; R32-G35 PolarHBondContact O-N 2.83Å; R32-P57 WeakPolarHBondContact CD-O 3.16Å; R32-P57 VanDerWaalsContact CZ-CB 3.49Å |
| 33 | S | 85.1 | Confident | 87.8 | Confident | 94 Ų | 94 | 44.5 Ų | 44.5 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.1 | -26.8 | 178.2 | 79.9 | 0 | 0 | 0 | 0 | 113.6 | A29 I30 L31 | A29-S33 PolarHBondContact O-N 3.1Å; I30-S33 WeakPolarHBondContact O-CB 2.96Å; I30-S33 PolarHBondContact O-N 2.91Å; I30-S33 PolarHBondContact O-OG 3.42Å; L31-S33 PolarHBondContact O-N 3.48Å |
| 34 | K | 83.9 | Confident | 87.8 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 5.1 | 172.7 | -61.6 | -168.7 | -167.2 | -96.9 | 0 | 113.9 | I30 L31 R32 W79 L137 S138 F140 | I30-K34 PolarHBondContact O-N 2.6Å; I30-K34 VanDerWaalsContact O-N 3.09Å; L31-K34 CarbonylContact O-C 3.58Å; L31-K34 PolarHBondContact O-N 3.44Å; R32-K34 PolarHBondContact O-N 2.71Å; K34-W79 HydrophobicContact CB-CH2 4.36Å; K34-W79 HydrophobicContact CD-CH2 3.54Å; K34-W79 HydrophobicContact CD-CZ2 4.44Å; K34-W79 HydrophobicContact CD-CZ3 4.3Å; K34-L137 WeakPolarHBondContact CE-O 3.49Å; K34-S138 WeakPolarHBondContact CE-O 3.15Å; K34-S138 PolarHBondContact NZ-O 3.43Å; K34-F140 WeakPolarHBondContact CE-O 3.03Å; K34-F140 PolarHBondContact NZ-O 2.85Å |
| 35 | G | 84.2 | Confident | 87.5 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | -6.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117 | L3 L31 R32 K37 | L3-G35 CarbonylContact O-C 3.52Å; L31-G35 PolarHBondContact O-N 2.67Å; L31-G35 VanDerWaalsContact O-N 3.14Å; R32-G35 PolarHBondContact O-N 2.83Å; G35-K37 WeakPolarHBondContact O-CG 2.97Å; G35-K37 PolarHBondContact O-N 2.77Å |
| 36 | V | 84.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | trans | -60.3 | 131.1 | -172.5 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | L3 L6 L31 E38 | L3-V36 WeakPolarHBondContact O-CA 3.49Å; L3-V36 PolarHBondContact O-N 2.77Å; L6-V36 HydrophobicContact CB-CG1 3.81Å; L31-V36 HydrophobicContact CB-CB 4.32Å; L31-V36 HydrophobicContact CD2-CG2 4.33Å; L31-V36 PolarHBondContact O-N 2.79Å; L31-V36 VanDerWaalsContact O-N 3.1Å; V36-E38 WeakPolarHBondContact CG1-O 3.27Å | ||
| 37 | K | 84.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 42.5 Ų | 42.5 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | trans | -112.5 | -31.4 | -176.9 | -58.4 | 178.8 | -172.7 | 170.9 | 0 | 112.3 | E2 R4 G35 P59 T60 | E2-K37 IonicContact OE1-NZ 2.66Å; E2-K37 PolarHBondContact OE1-NZ 3.44Å; E2-K37 IonicContact OE2-NZ 3.91Å; E2-K37 PolarHBondContact OE2-NZ 2.89Å; R4-K37 PolarHBondContact O-N 2.71Å; G35-K37 WeakPolarHBondContact O-CG 2.97Å; G35-K37 PolarHBondContact O-N 2.77Å; K37-P59 WeakPolarHBondContact O-CB 3.47Å; K37-T60 PolarHBondContact O-N 2.86Å | ||
| 38 | E | 87.9 | Confident | 86.9 | Confident | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.4 | 179.6 | -176.5 | 179.1 | -164.4 | 0 | 0 | 111 | R4 L6 V36 V40 | R4-E38 PolarHBondContact O-N 2.73Å; L6-E38 PolarHBondContact N-O 2.85Å; V36-E38 WeakPolarHBondContact CG1-O 3.27Å; E38-V40 HydrophobicContact CG-CG2 4.11Å |
| 39 | L | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 110.2 | 178.8 | 176.5 | 64.7 | 0 | 0 | 0 | 109.9 | L6 V8 V22 F28 L41 P59 T60 V61 T62 | L6-L39 HydrophobicContact CB-CD1 4.17Å; L6-L39 HydrophobicContact CD2-CD1 3.76Å; L6-L39 HydrophobicContact CG-CD1 3.76Å; L6-L39 WeakPolarHBondContact O-CA 3.39Å; V8-L39 HydrophobicContact CG2-CD1 3.8Å; V22-L39 HydrophobicContact CG1-CD1 4.01Å; V22-L39 HydrophobicContact CG1-CD2 3.81Å; F28-L39 HydrophobicContact CE1-CD2 3.74Å; L39-L41 HydrophobicContact CD1-CD2 3.74Å; L39-L41 HydrophobicContact CD2-CD1 4.37Å; L39-L41 HydrophobicContact CD2-CD2 4.04Å; L39-L41 HydrophobicContact CD2-CG 4.38Å; L39-L41 HydrophobicContact CG-CD2 3.71Å; L39-L41 HydrophobicContact CG-CG 4.05Å; L39-P59 HydrophobicContact CB-CG 4.5Å; L39-T60 PolarHBondContact N-O 2.89Å; L39-V61 HydrophobicContact CD2-CG1 4.33Å; L39-V61 HydrophobicContact CD2-CG2 4.23Å; L39-V61 CarbonylContact O-C 3.5Å; L39-V61 WeakPolarHBondContact O-CA 3.05Å; L39-T62 PolarHBondContact O-N 2.93Å |
| 40 | V | 92 | Very high | 86.3 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.3 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | L6 F7 V8 E38 T62 F64 | L6-V40 PolarHBondContact O-N 2.73Å; F7-V40 CarbonylContact C-O 3.51Å; F7-V40 WeakPolarHBondContact CA-O 3.12Å; F7-V40 HydrophobicContact CD2-CB 4.03Å; F7-V40 HydrophobicContact CD2-CG1 3.87Å; F7-V40 WeakPolarHBondContact CD2-O 3.1Å; F7-V40 HydrophobicContact CE2-CG1 4.3Å; V8-V40 PolarHBondContact N-O 3.01Å; E38-V40 HydrophobicContact CG-CG2 4.11Å; V40-T62 CarbonylContact C-O 3.57Å; V40-T62 WeakPolarHBondContact CA-O 2.97Å; V40-F64 HydrophobicContact CG1-CD1 4.26Å; V40-F64 HydrophobicContact CG1-CE1 3.7Å |
| 41 | L | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 114.4 | -172.3 | -57.7 | -179.5 | 0 | 0 | 0 | 111.7 | V8 V22 L39 I43 P50 V61 T62 T63 F64 | V8-L41 HydrophobicContact CB-CD2 3.6Å; V8-L41 HydrophobicContact CG1-CD2 4.35Å; V8-L41 HydrophobicContact CG2-CD2 3.59Å; V22-L41 HydrophobicContact CG1-CD2 4.08Å; L39-L41 HydrophobicContact CD1-CD2 3.74Å; L39-L41 HydrophobicContact CD2-CD1 4.37Å; L39-L41 HydrophobicContact CD2-CD2 4.04Å; L39-L41 HydrophobicContact CD2-CG 4.38Å; L39-L41 HydrophobicContact CG-CD2 3.71Å; L39-L41 HydrophobicContact CG-CG 4.05Å; L41-I43 HydrophobicContact CB-CG2 4.3Å; L41-P50 HydrophobicContact CD1-CG 3.66Å; L41-V61 HydrophobicContact CD1-CG1 3.51Å; L41-V61 HydrophobicContact CG-CG1 4.12Å; L41-T62 PolarHBondContact N-O 2.76Å; L41-T63 HydrophobicContact CB-CG2 4.13Å; L41-T63 HydrophobicContact CD1-CG2 4.11Å; L41-T63 CarbonylContact O-C 3.55Å; L41-T63 WeakPolarHBondContact O-CA 3.27Å; L41-F64 PolarHBondContact O-N 2.9Å |
| 42 | Q | 93.5 | Very high | 84 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.8 | 163 | -179.6 | -180 | 0 | 0 | 0 | 109.7 | F7 V8 T9 V10 G11 F64 L70 | F7-Q42 HydrophobicContact CE2-CB 4.06Å; F7-Q42 HydrophobicContact CZ-CB 4.29Å; V8-Q42 PolarHBondContact O-N 3.4Å; T9-Q42 VanDerWaalsContact OG1-CD 3.3Å; T9-Q42 PolarHBondContact OG1-OE1 2.78Å; V10-Q42 PolarHBondContact N-O 2.73Å; G11-Q42 PolarHBondContact O-NE2 3.03Å; Q42-F64 CarbonylContact C-O 3.49Å; Q42-F64 VanDerWaalsContact CA-O 3.31Å; Q42-F64 WeakPolarHBondContact CA-O 3.04Å; Q42-F64 HydrophobicContact CB-CD2 4.25Å; Q42-F64 HydrophobicContact CB-CE1 4.49Å; Q42-F64 HydrophobicContact CB-CE2 3.67Å; Q42-F64 HydrophobicContact CB-CZ 3.82Å; Q42-F64 HydrophobicContact CG-CD2 4.16Å; Q42-F64 HydrophobicContact CG-CE2 3.68Å; Q42-F64 HydrophobicContact CG-CZ 4.32Å; Q42-L70 VanDerWaalsContact OE1-CD1 3.26Å; Q42-L70 VanDerWaalsContact OE1-CD2 3.28Å |
| 43 | I | 91.4 | Very high | 83.1 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -95.3 | -7.2 | -175 | 71.3 | 177.4 | 0 | 0 | 0 | 114.3 | V10 I19 L41 K45 G46 E49 F64 R65 | V10-I43 WeakPolarHBondContact CG2-O 2.9Å; I19-I43 HydrophobicContact CD1-CG2 4.11Å; I19-I43 HydrophobicContact CG1-CG2 4.21Å; I19-I43 HydrophobicContact CG2-CG2 4.14Å; L41-I43 HydrophobicContact CB-CG2 4.3Å; I43-K45 PolarHBondContact O-N 2.65Å; I43-G46 PolarHBondContact O-N 3.08Å; I43-E49 HydrophobicContact CD1-CG 3.62Å; I43-F64 PolarHBondContact N-O 3.09Å; I43-R65 HydrophobicContact CD1-CG 3.89Å; I43-R65 HydrophobicContact CG1-CG 3.69Å | ||
| 44 | G | 87.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -122 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | G46 R65 Y66 | G44-G46 VanDerWaalsContact C-N 3.35Å; G44-R65 PolarHBondContact N-O 2.89Å; G44-R65 PolarHBondContact O-NH1 3.41Å; G44-Y66 PolarHBondContact O-OH 2.88Å |
| 45 | K | 83.5 | Confident | 80.3 | Confident | 132 Ų | 132 | 54.6 Ų | 54.6 | 57% | 0.574 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -5 | 177.4 | -69.5 | -179.6 | -177.5 | 173.2 | 0 | 114.2 | T12 T13 E14 I43 Y66 | T12-K45 VanDerWaalsContact O-CD 3.28Å; T12-K45 WeakPolarHBondContact O-CD 2.94Å; T12-K45 VanDerWaalsContact O-CE 3.23Å; T12-K45 WeakPolarHBondContact O-CE 2.99Å; T12-K45 WeakPolarHBondContact O-CG 3.13Å; T13-K45 PolarHBondContact O-N 3.4Å; E14-K45 HydrophobicContact CB-CB 4.11Å; I43-K45 PolarHBondContact O-N 2.65Å; K45-Y66 WeakPolarHBondContact CG-OH 3.37Å |
| 46 | G | 81.5 | Confident | 78.9 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | trans | -51.1 | 143.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | D16 I43 G44 R65 | D16-G46 VanDerWaalsContact OD1-C 3.23Å; D16-G46 WeakPolarHBondContact OD1-CA 3.13Å; I43-G46 PolarHBondContact O-N 3.08Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G46-R65 VanDerWaalsContact O-CZ 3.31Å; G46-R65 PolarHBondContact O-NH1 2.82Å; G46-R65 PolarHBondContact O-NH2 2.72Å | ||
| 47 | S | 84.9 | Confident | 77.9 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 62% | 0.622 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -80.4 | -23.5 | 173.9 | 81.7 | 0 | 0 | 0 | 0 | 112.1 | D16 | D16-S47 PolarHBondContact OD1-N 2.7Å; D16-S47 WeakPolarHBondContact OD2-CB 3.42Å; D16-S47 PolarHBondContact OD2-N 2.71Å; D16-S47 PolarHBondContact OD2-OG 3.13Å |
| 48 | Y | 87.4 | Confident | 77.2 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 29% | 0.286 | 35% | 0.35 | S | S | . | . | trans | -90.2 | 109.2 | -175.7 | -179.1 | -106 | 0 | 0 | 0 | 111.9 | D16 I19 R20 P50 | D16-Y48 VanDerWaalsContact CG-CB 3.47Å; D16-Y48 PolarHBondContact OD1-N 3.43Å; D16-Y48 VanDerWaalsContact OD1-N 3.12Å; D16-Y48 PolarHBondContact OD2-N 2.74Å; D16-Y48 VanDerWaalsContact OD2-N 3.14Å; I19-Y48 HydrophobicContact CB-CD1 4.05Å; I19-Y48 HydrophobicContact CG2-CD1 3.71Å; I19-Y48 HydrophobicContact CG2-CE1 3.99Å; R20-Y48 HydrophobicContact CB-CE1 4.28Å; R20-Y48 HydrophobicContact CG-CD1 3.57Å; R20-Y48 HydrophobicContact CG-CD2 4.09Å; R20-Y48 HydrophobicContact CG-CE1 3.53Å; R20-Y48 HydrophobicContact CG-CE2 4.05Å; R20-Y48 HydrophobicContact CG-CG 3.85Å; Y48-P50 HydrophobicContact CE1-CB 3.82Å | ||
| 49 | E | 82.4 | Confident | 76.5 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | trans | -95.1 | 112.3 | 168.3 | -70.6 | -177.8 | -179.6 | 0 | 0 | 108.8 | I43 T51 R65 | I43-E49 HydrophobicContact CD1-CG 3.62Å; E49-T51 PolarHBondContact O-N 3.28Å; E49-R65 IonicContact OE1-CZ 3.88Å; E49-R65 VanDerWaalsContact OE1-CZ 3.23Å; E49-R65 IonicContact OE1-NE 2.91Å; E49-R65 PolarHBondContact OE1-NE 3.16Å; E49-R65 IonicContact OE1-NH2 3.17Å; E49-R65 PolarHBondContact OE1-NH2 2.95Å | ||
| 50 | P | 77.5 | Confident | 76.1 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 8% | 0.078 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 123.2 | -177.4 | 27.4 | -32.4 | 0 | 0 | 0 | 110.7 | I19 C23 L41 Y48 T63 | I19-P50 HydrophobicContact CG2-CB 4.35Å; I19-P50 HydrophobicContact CG2-CG 3.76Å; C23-P50 HydrophobicContact CB-CB 4.13Å; C23-P50 VanDerWaalsContact SG-CB 3.52Å; L41-P50 HydrophobicContact CD1-CG 3.66Å; Y48-P50 HydrophobicContact CE1-CB 3.82Å; P50-T63 HydrophobicContact CG-CG2 3.66Å |
| 51 | T | 68.2 | Low | 75.9 | Confident | 122 Ų | 122 | 65.8 Ų | 65.8 | 75% | 0.748 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 135.4 | 174.2 | -14.9 | 0 | 0 | 0 | 0 | 110.5 | E49 P53 | E49-T51 PolarHBondContact O-N 3.28Å; T51-P53 WeakPolarHBondContact O-CD 3.48Å |
| 52 | A | 60.1 | Low | 75.6 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 49% | 0.488 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 126.6 | 166 | 0 | 0 | 0 | 0 | 0 | 108.7 | D54 | A52-D54 PolarHBondContact O-N 2.79Š|
| 53 | P | 61.6 | Low | 75.5 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 31% | 0.312 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -79 | 120.1 | -177.3 | 30.1 | -34.7 | 0 | 0 | 0 | 111.2 | F28 T51 A55 Y58 | F28-P53 HydrophobicContact CE2-CG 4.45Å; T51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-A55 PolarHBondContact O-N 2.85Å; P53-Y58 HydrophobicContact CB-CD2 3.43Å; P53-Y58 VanDerWaalsContact CB-CD2 3.43Å; P53-Y58 HydrophobicContact CB-CE2 3.77Å; P53-Y58 HydrophobicContact CB-CG 4.1Å; P53-Y58 HydrophobicContact CG-CD1 4.44Å; P53-Y58 HydrophobicContact CG-CD2 3.3Å; P53-Y58 HydrophobicContact CG-CE2 4.13Å; P53-Y58 HydrophobicContact CG-CG 3.5Å; P53-Y58 VanDerWaalsContact CG-CG 3.5Å |
| 54 | D | 54.5 | Low | 75.5 | Confident | 171 Ų | 171 | 72.2 Ų | 72.2 | 91% | 0.914 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -67.9 | 14.8 | -167.6 | -60.4 | -65.8 | 0 | 0 | 0 | 117.2 | A52 | A52-D54 PolarHBondContact O-N 2.79Š|
| 55 | A | 56.2 | Low | 75.5 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -148.5 | 147.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P53 Y58 | P53-A55 PolarHBondContact O-N 2.85Å; A55-Y58 WeakPolarHBondContact O-CD2 2.95Å |
| 56 | E | 55.4 | Low | 75.6 | Confident | 188 Ų | 188 | 75.7 Ų | 75.7 | 88% | 0.879 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 141.7 | 167.3 | -73 | -164.9 | 161 | 0 | 0 | 110.7 | ||
| 57 | P | 63 | Low | 75.6 | Confident | 57 Ų | 57 | 80.4 Ų | 80.4 | 37% | 0.37 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -130.1 | 53.6 | 29.5 | 42.1 | -26.3 | 0 | 0 | 0 | 114.5 | R32 | R32-P57 WeakPolarHBondContact CD-O 3.16Å; R32-P57 VanDerWaalsContact CZ-CB 3.49Å |
| 58 | Y | 69.6 | Low | 74.7 | Confident | 100 Ų | 100 | 83.3 Ų | 83.3 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -90.8 | 155.8 | 179 | -52.1 | -70.2 | 0 | 0 | 0 | 112.5 | F28 P53 A55 | F28-Y58 HydrophobicContact CB-CD1 3.79Å; F28-Y58 HydrophobicContact CB-CE1 4.38Å; F28-Y58 AromaticContact CD2-CD1 3.44Å; F28-Y58 HydrophobicContact CD2-CD1 3.44Å; F28-Y58 VanDerWaalsContact CD2-CD1 3.44Å; F28-Y58 AromaticContact CD2-CE1 3.96Å; F28-Y58 HydrophobicContact CD2-CE1 3.96Å; F28-Y58 HydrophobicContact CD2-CG 4.22Å; F28-Y58 HydrophobicContact CE2-CD1 4.19Å; F28-Y58 AromaticContact CG-CD1 3.86Å; F28-Y58 HydrophobicContact CG-CD1 3.86Å; P53-Y58 HydrophobicContact CB-CD2 3.43Å; P53-Y58 VanDerWaalsContact CB-CD2 3.43Å; P53-Y58 HydrophobicContact CB-CE2 3.77Å; P53-Y58 HydrophobicContact CB-CG 4.1Å; P53-Y58 HydrophobicContact CG-CD1 4.44Å; P53-Y58 HydrophobicContact CG-CD2 3.3Å; P53-Y58 HydrophobicContact CG-CE2 4.13Å; P53-Y58 HydrophobicContact CG-CG 3.5Å; P53-Y58 VanDerWaalsContact CG-CG 3.5Å; A55-Y58 WeakPolarHBondContact O-CD2 2.95Å |
| 59 | P | 74.5 | Confident | 73.9 | Confident | 12 Ų | 12 | 83.2 Ų | 83.2 | 8% | 0.078 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 156.4 | 173.1 | 30.9 | -35.8 | 0 | 0 | 0 | 111.9 | F28 K37 L39 V61 | F28-P59 HydrophobicContact CD1-CG 3.8Å; F28-P59 HydrophobicContact CE1-CG 4.08Å; K37-P59 WeakPolarHBondContact O-CB 3.47Å; L39-P59 HydrophobicContact CB-CG 4.5Å; P59-V61 WeakPolarHBondContact O-CG2 2.99Å; P59-V61 PolarHBondContact O-N 2.74Å |
| 60 | T | 81.5 | Confident | 74 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 60% | 0.595 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 121.1 | 176 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | K37 L39 | K37-T60 PolarHBondContact O-N 2.86Å; L39-T60 PolarHBondContact N-O 2.89Å |
| 61 | V | 86.3 | Confident | 74.2 | Confident | 24 Ų | 24 | 80.3 Ų | 80.3 | 15% | 0.145 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.5 | -177 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | F28 L39 L41 P59 T63 | F28-V61 HydrophobicContact CE1-CG2 4.24Å; F28-V61 HydrophobicContact CZ-CG2 4.14Å; L39-V61 HydrophobicContact CD2-CG1 4.33Å; L39-V61 HydrophobicContact CD2-CG2 4.23Å; L39-V61 CarbonylContact O-C 3.5Å; L39-V61 WeakPolarHBondContact O-CA 3.05Å; L41-V61 HydrophobicContact CD1-CG1 3.51Å; L41-V61 HydrophobicContact CG-CG1 4.12Å; P59-V61 WeakPolarHBondContact O-CG2 2.99Å; P59-V61 PolarHBondContact O-N 2.74Å; V61-T63 HydrophobicContact CG1-CG2 4.41Å |
| 62 | T | 88.4 | Confident | 75.1 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 32% | 0.319 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 107.7 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | L39 V40 L41 | L39-T62 PolarHBondContact O-N 2.93Å; V40-T62 CarbonylContact C-O 3.57Å; V40-T62 WeakPolarHBondContact CA-O 2.97Å; L41-T62 PolarHBondContact N-O 2.76Å |
| 63 | T | 89.4 | Confident | 76.5 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 145.7 | -177.3 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | L41 P50 V61 | L41-T63 HydrophobicContact CB-CG2 4.13Å; L41-T63 HydrophobicContact CD1-CG2 4.11Å; L41-T63 CarbonylContact O-C 3.55Å; L41-T63 WeakPolarHBondContact O-CA 3.27Å; P50-T63 HydrophobicContact CG-CG2 3.66Å; V61-T63 HydrophobicContact CG1-CG2 4.41Å |
| 64 | F | 91.4 | Very high | 77.9 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156.7 | 163.1 | 65.1 | -94.3 | 0 | 0 | 0 | 111.9 | F7 V40 L41 Q42 I43 R67 L70 | F7-F64 HydrophobicContact CE2-CE1 4.08Å; F7-F64 AromaticContact CE2-CZ 3.8Å; F7-F64 HydrophobicContact CE2-CZ 3.8Å; F7-F64 HydrophobicContact CZ-CZ 4.19Å; V40-F64 HydrophobicContact CG1-CD1 4.26Å; V40-F64 HydrophobicContact CG1-CE1 3.7Å; L41-F64 PolarHBondContact O-N 2.9Å; Q42-F64 CarbonylContact C-O 3.49Å; Q42-F64 VanDerWaalsContact CA-O 3.31Å; Q42-F64 WeakPolarHBondContact CA-O 3.04Å; Q42-F64 HydrophobicContact CB-CD2 4.25Å; Q42-F64 HydrophobicContact CB-CE1 4.49Å; Q42-F64 HydrophobicContact CB-CE2 3.67Å; Q42-F64 HydrophobicContact CB-CZ 3.82Å; Q42-F64 HydrophobicContact CG-CD2 4.16Å; Q42-F64 HydrophobicContact CG-CE2 3.68Å; Q42-F64 HydrophobicContact CG-CZ 4.32Å; I43-F64 PolarHBondContact N-O 3.09Å; F64-R67 HydrophobicContact CD2-CG 3.76Å; F64-R67 HydrophobicContact CE2-CB 4.23Å; F64-R67 HydrophobicContact CE2-CG 3.69Å; F64-R67 HydrophobicContact CG-CG 4.23Å; F64-R67 HydrophobicContact CZ-CG 4.09Å; F64-L70 HydrophobicContact CE2-CD2 3.81Å; F64-L70 HydrophobicContact CZ-CD2 3.95Å |
| 65 | R | 88.7 | Confident | 79.4 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -86.3 | -51.2 | 175.6 | -71.5 | 179.2 | 170.9 | -80 | 1.7 | 111.9 | I43 G44 G46 E49 | I43-R65 HydrophobicContact CD1-CG 3.89Å; I43-R65 HydrophobicContact CG1-CG 3.69Å; G44-R65 PolarHBondContact N-O 2.89Å; G44-R65 PolarHBondContact O-NH1 3.41Å; G46-R65 VanDerWaalsContact O-CZ 3.31Å; G46-R65 PolarHBondContact O-NH1 2.82Å; G46-R65 PolarHBondContact O-NH2 2.72Å; E49-R65 IonicContact OE1-CZ 3.88Å; E49-R65 VanDerWaalsContact OE1-CZ 3.23Å; E49-R65 IonicContact OE1-NE 2.91Å; E49-R65 PolarHBondContact OE1-NE 3.16Å; E49-R65 IonicContact OE1-NH2 3.17Å; E49-R65 PolarHBondContact OE1-NH2 2.95Å |
| 66 | Y | 86 | Confident | 80.7 | Confident | 122 Ų | 122 | 72.6 Ų | 72.6 | 48% | 0.478 | 36% | 0.363 | S | S | . | . | trans | -143.4 | 155.5 | 179.2 | -51.7 | -76 | 0 | 0 | 0 | 111 | T12 G44 K45 | T12-Y66 HydrophobicContact CG2-CE1 4.22Å; G44-Y66 PolarHBondContact O-OH 2.88Å; K45-Y66 WeakPolarHBondContact CG-OH 3.37Å | ||
| 67 | R | 81.5 | Confident | 82.3 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | trans | -132.9 | 156.8 | 166.6 | -75.4 | 179.9 | 177.2 | -158.2 | -3.3 | 108.4 | F64 C69 L70 C73 | F64-R67 HydrophobicContact CD2-CG 3.76Å; F64-R67 HydrophobicContact CE2-CB 4.23Å; F64-R67 HydrophobicContact CE2-CG 3.69Å; F64-R67 HydrophobicContact CG-CG 4.23Å; F64-R67 HydrophobicContact CZ-CG 4.09Å; R67-C69 WeakPolarHBondContact CB-O 3.09Å; R67-C69 PolarHBondContact O-N 2.71Å; R67-L70 HydrophobicContact CB-CD2 4.29Å; R67-C73 PolarHBondContact NH1-SG 3.45Å | ||
| 68 | Q | 65.7 | Low | 83.4 | Confident | 150 Ų | 150 | 63.9 Ų | 63.9 | 70% | 0.701 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -66.2 | -27.7 | 177.2 | -71.1 | -176.9 | -8.2 | 0 | 0 | 112.7 | H1750 | Q68-H1750 VanDerWaalsContact CD-CG 3.47Å; Q68-H1750 HydrophobicContact CG-CB 4.47Å; Q68-H1750 PolarHBondContact OE1-ND1 3.05Å |
| 69 | C | 70.8 | Confident | 84.2 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 48% | 0.48 | 30% | 0.302 | S | S | . | . | trans | -144.4 | 143.8 | 170.9 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | R67 S71 | R67-C69 WeakPolarHBondContact CB-O 3.09Å; R67-C69 PolarHBondContact O-N 2.71Å; C69-S71 PolarHBondContact SG-OG 3.24Å | ||
| 70 | L | 84.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -98 | -12.5 | 178.1 | -62.2 | 177.5 | 0 | 0 | 0 | 113.1 | F7 Q42 F64 R67 S72 C73 F74 | F7-L70 HydrophobicContact CZ-CD2 4.42Å; Q42-L70 VanDerWaalsContact OE1-CD1 3.26Å; Q42-L70 VanDerWaalsContact OE1-CD2 3.28Å; F64-L70 HydrophobicContact CE2-CD2 3.81Å; F64-L70 HydrophobicContact CZ-CD2 3.95Å; R67-L70 HydrophobicContact CB-CD2 4.29Å; L70-S72 PolarHBondContact O-N 3.08Å; L70-S72 VanDerWaalsContact O-N 3.1Å; L70-C73 WeakPolarHBondContact O-CA 2.96Å; L70-C73 VanDerWaalsContact O-CB 3.29Å; L70-C73 WeakPolarHBondContact O-CB 3.13Å; L70-C73 PolarHBondContact O-N 2.84Å; L70-F74 HydrophobicContact CB-CD2 3.91Å; L70-F74 HydrophobicContact CB-CE2 3.67Å; L70-F74 HydrophobicContact CD1-CE2 4.31Å; L70-F74 WeakPolarHBondContact O-CD2 3.41Å; L70-F74 PolarHBondContact O-N 3.09Å; L70-F74 VanDerWaalsContact O-N 3.1Å |
| 71 | S | 82.1 | Confident | 85.7 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -29.1 | -172.5 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | C69 F74 Q75 E91 | C69-S71 PolarHBondContact SG-OG 3.24Å; S71-F74 PolarHBondContact O-N 2.77Å; S71-Q75 VanDerWaalsContact O-CB 3.26Å; S71-Q75 WeakPolarHBondContact O-CB 3Å; S71-Q75 WeakPolarHBondContact O-CG 3.17Å; S71-Q75 PolarHBondContact O-N 2.8Å; S71-E91 WeakPolarHBondContact CA-OE1 3.44Å; S71-E91 VanDerWaalsContact CB-OE1 3.29Å; S71-E91 WeakPolarHBondContact CB-OE1 3.46Å; S71-E91 PolarHBondContact N-OE1 2.72Å |
| 72 | S | 85.7 | Confident | 86 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 171.8 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | L70 Q76 | L70-S72 PolarHBondContact O-N 3.08Å; L70-S72 VanDerWaalsContact O-N 3.1Å; S72-Q76 VanDerWaalsContact O-CB 3.24Å; S72-Q76 WeakPolarHBondContact O-CB 3.35Å; S72-Q76 WeakPolarHBondContact O-CG 3.27Å; S72-Q76 PolarHBondContact O-N 3.31Å; S72-Q76 PolarHBondContact O-OE1 2.54Å |
| 73 | C | 90 | Very high | 86.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | 173.1 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | F7 R67 L70 Q75 Q76 A77 | F7-C73 HydrophobicContact CD1-CB 3.89Å; F7-C73 HydrophobicContact CD2-CB 3.94Å; F7-C73 HydrophobicContact CE1-CB 3.76Å; F7-C73 HydrophobicContact CE2-CB 3.82Å; F7-C73 HydrophobicContact CG-CB 3.99Å; F7-C73 HydrophobicContact CZ-CB 3.73Å; R67-C73 PolarHBondContact NH1-SG 3.45Å; L70-C73 WeakPolarHBondContact O-CA 2.96Å; L70-C73 VanDerWaalsContact O-CB 3.29Å; L70-C73 WeakPolarHBondContact O-CB 3.13Å; L70-C73 PolarHBondContact O-N 2.84Å; C73-Q75 PolarHBondContact O-N 2.96Å; C73-Q76 PolarHBondContact O-N 3.31Å; C73-A77 VanDerWaalsContact O-CB 3.22Å; C73-A77 WeakPolarHBondContact O-CB 3.16Å; C73-A77 PolarHBondContact O-N 2.75Å |
| 74 | F | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 176.8 | -72.1 | -82.5 | 0 | 0 | 0 | 112.5 | F7 T9 L70 S71 V80 S88 E91 A92 L95 K97 | F7-F74 HydrophobicContact CD1-CD1 4.34Å; F7-F74 HydrophobicContact CD1-CE1 4.4Å; F7-F74 HydrophobicContact CD1-CG 4.48Å; F7-F74 HydrophobicContact CE1-CD1 4.43Å; F7-F74 HydrophobicContact CE1-CD2 4.17Å; F7-F74 HydrophobicContact CE1-CE1 4.23Å; F7-F74 AromaticContact CE1-CE2 3.96Å; F7-F74 HydrophobicContact CE1-CE2 3.96Å; F7-F74 HydrophobicContact CE1-CG 4.39Å; F7-F74 AromaticContact CE1-CZ 3.98Å; F7-F74 HydrophobicContact CE1-CZ 3.98Å; T9-F74 HydrophobicContact CG2-CZ 4.45Å; L70-F74 HydrophobicContact CB-CD2 3.91Å; L70-F74 HydrophobicContact CB-CE2 3.67Å; L70-F74 HydrophobicContact CD1-CE2 4.31Å; L70-F74 WeakPolarHBondContact O-CD2 3.41Å; L70-F74 PolarHBondContact O-N 3.09Å; L70-F74 VanDerWaalsContact O-N 3.1Å; S71-F74 PolarHBondContact O-N 2.77Å; F74-V80 HydrophobicContact CD1-CG1 4.38Å; F74-V80 HydrophobicContact CD1-CG2 3.9Å; F74-V80 HydrophobicContact CE1-CG1 3.93Å; F74-V80 HydrophobicContact CE1-CG2 4.29Å; F74-S88 WeakPolarHBondContact CE1-O 3.16Å; F74-E91 HydrophobicContact CB-CG 4.45Å; F74-E91 HydrophobicContact CD1-CB 4.49Å; F74-E91 HydrophobicContact CD1-CG 4.39Å; F74-E91 HydrophobicContact CD2-CB 4.29Å; F74-E91 HydrophobicContact CD2-CG 3.64Å; F74-E91 WeakPolarHBondContact CD2-OE1 3.36Å; F74-E91 HydrophobicContact CE1-CB 4.29Å; F74-E91 HydrophobicContact CE2-CB 4.07Å; F74-E91 HydrophobicContact CE2-CG 3.87Å; F74-E91 WeakPolarHBondContact CE2-OE2 2.8Å; F74-E91 HydrophobicContact CG-CG 3.94Å; F74-E91 HydrophobicContact CZ-CB 4.09Å; F74-E91 HydrophobicContact CZ-CG 4.34Å; F74-A92 HydrophobicContact CD1-CB 4.11Å; F74-A92 HydrophobicContact CE1-CB 4Å; F74-L95 HydrophobicContact CB-CD1 3.49Å; F74-L95 VanDerWaalsContact CB-CD1 3.49Å; F74-L95 HydrophobicContact CG-CD1 4.46Å; F74-K97 WeakPolarHBondContact O-CE 3.16Å; F74-K97 PolarHBondContact O-NZ 3.15Å |
| 75 | Q | 85.6 | Confident | 85.4 | Confident | 121 Ų | 121 | 48.2 Ų | 48.2 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.7 | -42.9 | 176.8 | -77 | 174.8 | 2.1 | 0 | 0 | 112.4 | S71 C73 L95 K97 | S71-Q75 VanDerWaalsContact O-CB 3.26Å; S71-Q75 WeakPolarHBondContact O-CB 3Å; S71-Q75 WeakPolarHBondContact O-CG 3.17Å; S71-Q75 PolarHBondContact O-N 2.8Å; C73-Q75 PolarHBondContact O-N 2.96Å; Q75-L95 HydrophobicContact CG-CD1 4.23Å; Q75-L95 HydrophobicContact CG-CD2 4.25Å; Q75-K97 PolarHBondContact O-NZ 2.7Å |
| 76 | Q | 84.5 | Confident | 85.2 | Confident | 136 Ų | 136 | 46.8 Ų | 46.8 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -75.9 | -25.8 | -178.3 | -72.4 | 170.9 | -17.2 | 0 | 0 | 113.9 | S5 S72 C73 | S5-Q76 PolarHBondContact OG-O 2.62Å; S72-Q76 VanDerWaalsContact O-CB 3.24Å; S72-Q76 WeakPolarHBondContact O-CB 3.35Å; S72-Q76 WeakPolarHBondContact O-CG 3.27Å; S72-Q76 PolarHBondContact O-N 3.31Å; S72-Q76 PolarHBondContact O-OE1 2.54Å; C73-Q76 PolarHBondContact O-N 3.31Å |
| 77 | A | 88.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | trans | -76.6 | 135.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S5 F7 C73 W79 K97 | S5-A77 WeakPolarHBondContact OG-CA 3.37Å; F7-A77 HydrophobicContact CB-CB 3.51Å; C73-A77 VanDerWaalsContact O-CB 3.22Å; C73-A77 WeakPolarHBondContact O-CB 3.16Å; C73-A77 PolarHBondContact O-N 2.75Å; A77-W79 WeakPolarHBondContact CB-O 2.91Å; A77-K97 WeakPolarHBondContact O-CD 3.23Å; A77-K97 WeakPolarHBondContact O-CE 3.4Å; A77-K97 PolarHBondContact O-NZ 3.45Å | ||
| 78 | D | 85.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 32% | 0.316 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -73.7 | -41.2 | 166.1 | -64.1 | -52.9 | 0 | 0 | 0 | 110.5 | L3 R4 S5 | L3-D78 HydrophobicContact CD2-CB 3.83Å; R4-D78 PolarHBondContact N-OD2 3.15Å; S5-D78 PolarHBondContact N-OD2 3.37Å; S5-D78 PolarHBondContact O-N 2.81Å; S5-D78 PolarHBondContact OG-N 3.02Å; S5-D78 VanDerWaalsContact OG-N 3.08Å; S5-D78 PolarHBondContact OG-OD2 3.16Å |
| 79 | W | 87 | Confident | 86.6 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.5 | -178 | -74.6 | 10.5 | 0 | 0 | 0 | 112.3 | L3 S5 L6 F7 K34 A77 F140 P142 | L3-W79 VanDerWaalsContact CD1-CE2 3.49Å; L3-W79 HydrophobicContact CD1-CH2 4.38Å; L3-W79 HydrophobicContact CD1-CZ2 3.38Å; S5-W79 PolarHBondContact O-N 2.96Å; L6-W79 HydrophobicContact CD1-CB 3.71Å; F7-W79 PolarHBondContact N-O 3.2Å; K34-W79 HydrophobicContact CB-CH2 4.36Å; K34-W79 HydrophobicContact CD-CH2 3.54Å; K34-W79 HydrophobicContact CD-CZ2 4.44Å; K34-W79 HydrophobicContact CD-CZ3 4.3Å; A77-W79 WeakPolarHBondContact CB-O 2.91Å; W79-F140 HydrophobicContact CD2-CD1 4.45Å; W79-F140 AromaticContact CD2-CE1 3.99Å; W79-F140 HydrophobicContact CD2-CE1 3.99Å; W79-F140 AromaticContact CE2-CE1 3.98Å; W79-F140 HydrophobicContact CE3-CD1 4.14Å; W79-F140 HydrophobicContact CE3-CE1 4.04Å; W79-F140 AromaticContact CH2-CD1 3.57Å; W79-F140 HydrophobicContact CH2-CD1 3.57Å; W79-F140 HydrophobicContact CH2-CE1 4.04Å; W79-F140 AromaticContact CZ2-CD1 3.96Å; W79-F140 HydrophobicContact CZ2-CD1 3.96Å; W79-F140 HydrophobicContact CZ2-CE1 4.03Å; W79-F140 AromaticContact CZ3-CD1 3.7Å; W79-F140 HydrophobicContact CZ3-CD1 3.7Å; W79-F140 HydrophobicContact CZ3-CE1 4.06Å; W79-P142 HydrophobicContact CH2-CG 4.31Å; W79-P142 HydrophobicContact CZ2-CG 3.22Å |
| 80 | V | 93.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.3 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | F7 F74 A92 K97 S98 L99 L100 | F7-V80 CarbonylContact O-C 3.57Å; F7-V80 WeakPolarHBondContact O-CA 3.34Å; F74-V80 HydrophobicContact CD1-CG1 4.38Å; F74-V80 HydrophobicContact CD1-CG2 3.9Å; F74-V80 HydrophobicContact CE1-CG1 3.93Å; F74-V80 HydrophobicContact CE1-CG2 4.29Å; V80-A92 HydrophobicContact CB-CB 4.17Å; V80-A92 HydrophobicContact CG1-CB 4.26Å; V80-A92 HydrophobicContact CG2-CB 4.1Å; V80-K97 HydrophobicContact CG2-CB 4.03Å; V80-S98 PolarHBondContact N-O 3.42Å; V80-L99 HydrophobicContact CB-CD1 4.27Å; V80-L99 HydrophobicContact CG1-CD1 4.13Å; V80-L99 WeakPolarHBondContact O-CA 3.32Å; V80-L100 PolarHBondContact O-N 3.27Å |
| 81 | I | 94.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.2 | 161.6 | -63 | 165.2 | 0 | 0 | 0 | 107.8 | L6 F7 V8 T9 L18 V22 L100 V102 L137 | L6-I81 HydrophobicContact CD1-CD1 3.92Å; L6-I81 HydrophobicContact CD1-CG1 3.93Å; L6-I81 HydrophobicContact CD2-CD1 3.92Å; L6-I81 HydrophobicContact CG-CD1 4.43Å; F7-I81 PolarHBondContact O-N 3.35Å; V8-I81 CarbonylContact C-O 3.51Å; V8-I81 VanDerWaalsContact CA-O 3.23Å; V8-I81 WeakPolarHBondContact CA-O 3.22Å; V8-I81 HydrophobicContact CB-CB 4.46Å; V8-I81 HydrophobicContact CG1-CB 4.13Å; V8-I81 HydrophobicContact CG1-CG2 4.12Å; V8-I81 HydrophobicContact CG2-CB 4.13Å; V8-I81 HydrophobicContact CG2-CD1 4.24Å; T9-I81 PolarHBondContact N-O 3.44Å; L18-I81 HydrophobicContact CD1-CG2 4.05Å; L18-I81 HydrophobicContact CD2-CG2 4.47Å; V22-I81 HydrophobicContact CG2-CD1 4.39Å; I81-L100 VanDerWaalsContact CA-O 3.32Å; I81-L100 WeakPolarHBondContact CA-O 2.99Å; I81-L100 HydrophobicContact CG1-CB 4.22Å; I81-L100 HydrophobicContact CG1-CD2 4.26Å; I81-V102 HydrophobicContact CG2-CG2 3.78Å; I81-L137 HydrophobicContact CD1-CD2 4.02Å |
| 82 | S | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.2 | -179.5 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | S88 L100 I101 V102 | S82-S88 VanDerWaalsContact OG-CB 3.26Å; S82-S88 WeakPolarHBondContact OG-CB 3Å; S82-L100 PolarHBondContact N-O 2.77Å; S82-I101 CarbonylContact O-C 3.48Å; S82-I101 WeakPolarHBondContact O-CA 3.3Å; S82-V102 PolarHBondContact O-N 2.9Å |
| 83 | H | 89.7 | Confident | 88.3 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 156.8 | 150.7 | 76.3 | -51.2 | 0 | 0 | 0 | 109.6 | T9 V10 G11 F15 G85 V102 | T9-H83 PolarHBondContact O-N 2.82Å; T9-H83 PolarHBondContact O-ND1 2.69Å; V10-H83 VanDerWaalsContact C-CE1 3.4Å; V10-H83 PolarHBondContact O-NE2 2.59Å; G11-H83 PolarHBondContact N-CE1 3.34Å; F15-H83 HydrophobicContact CD1-CB 4.16Å; H83-G85 PolarHBondContact O-N 3.07Å; H83-V102 WeakPolarHBondContact CA-O 3.07Å |
| 84 | A | 82.6 | Confident | 88.1 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -73.8 | 40.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I101 Q112 L115 | A84-I101 HydrophobicContact CB-CG2 3.65Å; A84-Q112 HydrophobicContact CB-CB 3.66Å; A84-Q112 HydrophobicContact CB-CG 3.86Å; A84-L115 WeakPolarHBondContact O-CD2 2.97Å |
| 85 | G | 84.4 | Confident | 87.9 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | trans | -80.1 | 113.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | H83 A87 S88 C89 | H83-G85 PolarHBondContact O-N 3.07Å; G85-A87 VanDerWaalsContact C-N 3.26Å; G85-A87 PolarHBondContact O-N 3.09Å; G85-S88 PolarHBondContact O-N 2.81Å; G85-C89 PolarHBondContact O-N 2.71Å | ||
| 86 | A | 84.7 | Confident | 87.9 | Confident | 53 Ų | 53 | 36.2 Ų | 36.2 | 44% | 0.438 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -51 | -37.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C89 L90 L115 | A86-C89 PolarHBondContact O-N 3.42Å; A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.44Å; A86-L90 PolarHBondContact O-N 2.81Å; A86-L115 HydrophobicContact CB-CD2 4.07Å |
| 87 | A | 84.3 | Confident | 88.2 | Confident | 78 Ų | 78 | 31.9 Ų | 31.9 | 65% | 0.645 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.5 | -45.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G85 L90 E91 | G85-A87 VanDerWaalsContact C-N 3.26Å; G85-A87 PolarHBondContact O-N 3.09Å; A87-L90 PolarHBondContact O-N 2.77Å; A87-E91 WeakPolarHBondContact O-CB 2.97Å; A87-E91 PolarHBondContact O-N 2.92Å |
| 88 | S | 87.4 | Confident | 88.2 | Confident | 11 Ų | 11 | 33 Ų | 33 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.6 | -34.3 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | F74 S82 G85 A92 | F74-S88 WeakPolarHBondContact CE1-O 3.16Å; S82-S88 VanDerWaalsContact OG-CB 3.26Å; S82-S88 WeakPolarHBondContact OG-CB 3Å; G85-S88 PolarHBondContact O-N 2.81Å; S88-A92 PolarHBondContact O-N 3.12Å |
| 89 | C | 90.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -44.9 | 171.6 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | G85 A86 L93 L99 L119 | G85-C89 PolarHBondContact O-N 2.71Å; A86-C89 PolarHBondContact O-N 3.42Å; C89-L93 WeakPolarHBondContact O-CB 3.25Å; C89-L93 VanDerWaalsContact O-CG 3.24Å; C89-L93 WeakPolarHBondContact O-CG 3.43Å; C89-L93 PolarHBondContact O-N 2.9Å; C89-L93 VanDerWaalsContact O-N 3.09Å; C89-L99 HydrophobicContact CB-CD2 3.98Å; C89-L119 HydrophobicContact CB-CD1 4.13Å |
| 90 | L | 88.6 | Confident | 89 | Confident | 82 Ų | 82 | 30 Ų | 30 | 43% | 0.429 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.7 | -74 | 168.9 | 0 | 0 | 0 | 112.5 | A86 A87 A92 L93 E94 W148 | A86-L90 WeakPolarHBondContact O-CB 3.46Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.44Å; A86-L90 PolarHBondContact O-N 2.81Å; A87-L90 PolarHBondContact O-N 2.77Å; L90-A92 VanDerWaalsContact C-N 3.33Å; L90-A92 PolarHBondContact O-N 3Å; L90-L93 PolarHBondContact O-N 2.78Å; L90-E94 PolarHBondContact O-N 3.19Å; L90-W148 HydrophobicContact CD2-CZ2 4.36Å |
| 91 | E | 88.2 | Confident | 89 | Confident | 59 Ų | 59 | 30 Ų | 30 | 28% | 0.276 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 179 | -167.8 | 171.9 | -179.8 | 0 | 0 | 111.8 | S71 F74 A87 L95 | S71-E91 WeakPolarHBondContact CA-OE1 3.44Å; S71-E91 VanDerWaalsContact CB-OE1 3.29Å; S71-E91 WeakPolarHBondContact CB-OE1 3.46Å; S71-E91 PolarHBondContact N-OE1 2.72Å; F74-E91 HydrophobicContact CB-CG 4.45Å; F74-E91 HydrophobicContact CD1-CB 4.49Å; F74-E91 HydrophobicContact CD1-CG 4.39Å; F74-E91 HydrophobicContact CD2-CB 4.29Å; F74-E91 HydrophobicContact CD2-CG 3.64Å; F74-E91 WeakPolarHBondContact CD2-OE1 3.36Å; F74-E91 HydrophobicContact CE1-CB 4.29Å; F74-E91 HydrophobicContact CE2-CB 4.07Å; F74-E91 HydrophobicContact CE2-CG 3.87Å; F74-E91 WeakPolarHBondContact CE2-OE2 2.8Å; F74-E91 HydrophobicContact CG-CG 3.94Å; F74-E91 HydrophobicContact CZ-CB 4.09Å; F74-E91 HydrophobicContact CZ-CG 4.34Å; A87-E91 WeakPolarHBondContact O-CB 2.97Å; A87-E91 PolarHBondContact O-N 2.92Å; E91-L95 HydrophobicContact CG-CD1 4.26Å; E91-L95 WeakPolarHBondContact O-CB 3.22Å; E91-L95 WeakPolarHBondContact O-CG 2.89Å; E91-L95 PolarHBondContact O-N 2.99Å |
| 92 | A | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | F74 V80 S88 L90 L95 G96 K97 L99 | F74-A92 HydrophobicContact CD1-CB 4.11Å; F74-A92 HydrophobicContact CE1-CB 4Å; V80-A92 HydrophobicContact CB-CB 4.17Å; V80-A92 HydrophobicContact CG1-CB 4.26Å; V80-A92 HydrophobicContact CG2-CB 4.1Å; S88-A92 PolarHBondContact O-N 3.12Å; L90-A92 VanDerWaalsContact C-N 3.33Å; L90-A92 PolarHBondContact O-N 3Å; A92-L95 CarbonylContact O-C 3.6Å; A92-L95 PolarHBondContact O-N 2.76Å; A92-G96 PolarHBondContact O-N 2.72Å; A92-K97 HydrophobicContact CB-CB 4.45Å; A92-K97 WeakPolarHBondContact O-CB 3.46Å; A92-K97 PolarHBondContact O-N 2.79Å; A92-L99 HydrophobicContact CB-CD1 4.1Å; A92-L99 HydrophobicContact CB-CD2 4.48Å |
| 93 | L | 90.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.5 | -43.1 | -178 | -70.9 | 171.3 | 0 | 0 | 0 | 112.6 | C89 L90 L95 G96 L99 L119 W148 | C89-L93 WeakPolarHBondContact O-CB 3.25Å; C89-L93 VanDerWaalsContact O-CG 3.24Å; C89-L93 WeakPolarHBondContact O-CG 3.43Å; C89-L93 PolarHBondContact O-N 2.9Å; C89-L93 VanDerWaalsContact O-N 3.09Å; L90-L93 PolarHBondContact O-N 2.78Å; L93-L95 VanDerWaalsContact C-N 3.27Å; L93-L95 PolarHBondContact O-N 2.57Å; L93-G96 PolarHBondContact O-N 2.74Å; L93-L99 HydrophobicContact CD1-CD2 4.35Å; L93-L99 HydrophobicContact CD2-CD2 4.37Å; L93-L99 HydrophobicContact CG-CD2 4.08Å; L93-L119 HydrophobicContact CD1-CD1 4.22Å; L93-L119 HydrophobicContact CD1-CD2 3.85Å; L93-W148 HydrophobicContact CB-CB 4.03Å; L93-W148 HydrophobicContact CB-CD2 4.07Å; L93-W148 HydrophobicContact CB-CG 3.83Å; L93-W148 HydrophobicContact CD1-CE3 4.25Å; L93-W148 HydrophobicContact CD2-CB 4.33Å; L93-W148 WeakPolarHBondContact O-CB 3.44Å |
| 94 | E | 86.5 | Confident | 88.8 | Confident | 112 Ų | 112 | 29.4 Ų | 29.4 | 52% | 0.523 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65 | -29.7 | 176.5 | -70.5 | -157.4 | 133.1 | 0 | 0 | 112.6 | L90 G96 S150 | L90-E94 PolarHBondContact O-N 3.19Å; E94-G96 VanDerWaalsContact C-N 3.3Å; E94-S150 PolarHBondContact OE1-OG 3.02Å |
| 95 | L | 85.7 | Confident | 88.8 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.2 | 171.7 | -69 | 169.6 | 0 | 0 | 0 | 113.9 | F74 Q75 E91 A92 L93 K97 | F74-L95 HydrophobicContact CB-CD1 3.49Å; F74-L95 VanDerWaalsContact CB-CD1 3.49Å; F74-L95 HydrophobicContact CG-CD1 4.46Å; Q75-L95 HydrophobicContact CG-CD1 4.23Å; Q75-L95 HydrophobicContact CG-CD2 4.25Å; E91-L95 HydrophobicContact CG-CD1 4.26Å; E91-L95 WeakPolarHBondContact O-CB 3.22Å; E91-L95 WeakPolarHBondContact O-CG 2.89Å; E91-L95 PolarHBondContact O-N 2.99Å; A92-L95 CarbonylContact O-C 3.6Å; A92-L95 PolarHBondContact O-N 2.76Å; L93-L95 VanDerWaalsContact C-N 3.27Å; L93-L95 PolarHBondContact O-N 2.57Å; L95-K97 VanDerWaalsContact C-N 3.26Å; L95-K97 HydrophobicContact CB-CG 3.97Å; L95-K97 PolarHBondContact O-N 2.81Å |
| 96 | G | 86.4 | Confident | 88.4 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 23.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A92 L93 E94 | A92-G96 PolarHBondContact O-N 2.72Å; L93-G96 PolarHBondContact O-N 2.74Å; E94-G96 VanDerWaalsContact C-N 3.3Å |
| 97 | K | 89.2 | Confident | 87.7 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | -84.5 | 146.3 | -176.5 | -55.7 | -58.5 | -176.2 | 142.5 | 0 | 111.4 | F74 Q75 A77 V80 A92 L95 L99 | F74-K97 WeakPolarHBondContact O-CE 3.16Å; F74-K97 PolarHBondContact O-NZ 3.15Å; Q75-K97 PolarHBondContact O-NZ 2.7Å; A77-K97 WeakPolarHBondContact O-CD 3.23Å; A77-K97 WeakPolarHBondContact O-CE 3.4Å; A77-K97 PolarHBondContact O-NZ 3.45Å; V80-K97 HydrophobicContact CG2-CB 4.03Å; A92-K97 HydrophobicContact CB-CB 4.45Å; A92-K97 WeakPolarHBondContact O-CB 3.46Å; A92-K97 PolarHBondContact O-N 2.79Å; L95-K97 VanDerWaalsContact C-N 3.26Å; L95-K97 HydrophobicContact CB-CG 3.97Å; L95-K97 PolarHBondContact O-N 2.81Å; K97-L99 PolarHBondContact O-N 2.69Å | ||
| 98 | S | 90.3 | Very high | 85.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 119.7 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | V80 | V80-S98 PolarHBondContact N-O 3.42Å |
| 99 | L | 93.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.1 | -168.5 | -178.9 | 61.1 | 0 | 0 | 0 | 112.2 | V80 C89 A92 L93 K97 I101 A125 H126 | V80-L99 HydrophobicContact CB-CD1 4.27Å; V80-L99 HydrophobicContact CG1-CD1 4.13Å; V80-L99 WeakPolarHBondContact O-CA 3.32Å; C89-L99 HydrophobicContact CB-CD2 3.98Å; A92-L99 HydrophobicContact CB-CD1 4.1Å; A92-L99 HydrophobicContact CB-CD2 4.48Å; L93-L99 HydrophobicContact CD1-CD2 4.35Å; L93-L99 HydrophobicContact CD2-CD2 4.37Å; L93-L99 HydrophobicContact CG-CD2 4.08Å; K97-L99 PolarHBondContact O-N 2.69Å; L99-I101 HydrophobicContact CD1-CG1 4.35Å; L99-I101 HydrophobicContact CD2-CD1 4.14Å; L99-I101 HydrophobicContact CD2-CG1 4.04Å; L99-I101 HydrophobicContact CG-CG1 3.91Å; L99-A125 HydrophobicContact CB-CB 4.18Å; L99-A125 HydrophobicContact CD2-CB 4.1Å; L99-A125 HydrophobicContact CG-CB 4.06Å; L99-A125 WeakPolarHBondContact O-CA 3.21Å; L99-H126 PolarHBondContact O-N 2.64Å |
| 100 | L | 94.3 | Very high | 82.7 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.8 | 166.1 | 178 | 61.2 | 0 | 0 | 0 | 108.9 | V80 I81 S82 H126 L133 L137 F140 | V80-L100 PolarHBondContact O-N 3.27Å; I81-L100 VanDerWaalsContact CA-O 3.32Å; I81-L100 WeakPolarHBondContact CA-O 2.99Å; I81-L100 HydrophobicContact CG1-CB 4.22Å; I81-L100 HydrophobicContact CG1-CD2 4.26Å; S82-L100 PolarHBondContact N-O 2.77Å; L100-H126 HydrophobicContact CD1-CB 3.78Å; L100-L133 HydrophobicContact CD2-CD1 4.04Å; L100-L137 HydrophobicContact CD2-CD2 3.9Å; L100-L137 HydrophobicContact CD2-CG 4.5Å; L100-F140 HydrophobicContact CB-CD2 4.48Å; L100-F140 HydrophobicContact CB-CE2 4.17Å; L100-F140 HydrophobicContact CB-CZ 4.33Å; L100-F140 HydrophobicContact CD1-CD2 4.35Å |
| 101 | I | 94.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.4 | -177.4 | -56.2 | 174.1 | 0 | 0 | 0 | 109.3 | S82 A84 L99 A116 L119 A125 H126 W127 S128 | S82-I101 CarbonylContact O-C 3.48Å; S82-I101 WeakPolarHBondContact O-CA 3.3Å; A84-I101 HydrophobicContact CB-CG2 3.65Å; L99-I101 HydrophobicContact CD1-CG1 4.35Å; L99-I101 HydrophobicContact CD2-CD1 4.14Å; L99-I101 HydrophobicContact CD2-CG1 4.04Å; L99-I101 HydrophobicContact CG-CG1 3.91Å; I101-A116 HydrophobicContact CB-CB 4.33Å; I101-A116 HydrophobicContact CG2-CB 3.78Å; I101-L119 HydrophobicContact CD1-CB 4.14Å; I101-L119 HydrophobicContact CD1-CD1 3.66Å; I101-A125 HydrophobicContact CD1-CB 3.78Å; I101-A125 HydrophobicContact CG1-CB 4.08Å; I101-H126 PolarHBondContact N-O 3.39Å; I101-W127 HydrophobicContact CB-CB 4.17Å; I101-W127 CarbonylContact O-C 3.59Å; I101-W127 WeakPolarHBondContact O-CA 3.28Å; I101-S128 PolarHBondContact O-N 2.75Å |
| 102 | V | 93.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.9 | 174.2 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | F15 L18 I81 S82 H83 S128 A130 L133 | F15-V102 HydrophobicContact CE1-CB 4.42Å; F15-V102 HydrophobicContact CE1-CG1 4.11Å; F15-V102 HydrophobicContact CZ-CG1 3.98Å; L18-V102 HydrophobicContact CD1-CB 3.96Å; L18-V102 HydrophobicContact CD1-CG1 4.05Å; L18-V102 HydrophobicContact CD1-CG2 3.84Å; L18-V102 HydrophobicContact CD2-CB 4.31Å; I81-V102 HydrophobicContact CG2-CG2 3.78Å; S82-V102 PolarHBondContact O-N 2.9Å; H83-V102 WeakPolarHBondContact CA-O 3.07Å; V102-S128 WeakPolarHBondContact CA-O 3.3Å; V102-A130 HydrophobicContact CG1-CB 4.2Å; V102-L133 HydrophobicContact CG2-CD1 3.87Å |
| 103 | V | 91.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.6 | 179.4 | 171.7 | 0 | 0 | 0 | 0 | 109.8 | F15 E105 Q112 I113 A116 W127 S128 F129 | F15-V103 VanDerWaalsContact CZ-O 3.31Å; F15-V103 WeakPolarHBondContact CZ-O 3.04Å; V103-E105 PolarHBondContact O-N 2.75Å; V103-Q112 HydrophobicContact CG1-CB 4.17Å; V103-I113 HydrophobicContact CB-CG1 4.47Å; V103-I113 HydrophobicContact CG1-CD1 4.44Å; V103-I113 HydrophobicContact CG1-CG1 3.78Å; V103-I113 HydrophobicContact CG2-CG1 3.99Å; V103-A116 HydrophobicContact CG2-CB 3.93Å; V103-W127 HydrophobicContact CG2-CE3 4.01Å; V103-W127 HydrophobicContact CG2-CZ3 4.42Å; V103-S128 PolarHBondContact N-O 2.72Å; V103-F129 HydrophobicContact CB-CD1 3.96Å; V103-F129 HydrophobicContact CB-CE1 4.07Å; V103-F129 HydrophobicContact CG1-CD1 4.18Å; V103-F129 HydrophobicContact CG1-CE1 3.96Å |
| 104 | N | 87 | Confident | 80.9 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | trans | -86.1 | 103.5 | 169.2 | -174.2 | -5.9 | 0 | 0 | 0 | 110.5 | E14 F15 T106 L107 | E14-N104 PolarHBondContact O-ND2 2.71Å; F15-N104 HydrophobicContact CD1-CB 3.84Å; F15-N104 HydrophobicContact CD2-CB 3.81Å; F15-N104 HydrophobicContact CE1-CB 3.74Å; F15-N104 HydrophobicContact CE2-CB 3.73Å; F15-N104 HydrophobicContact CG-CB 3.88Å; F15-N104 VanDerWaalsContact CZ-CA 3.42Å; F15-N104 HydrophobicContact CZ-CB 3.69Å; N104-T106 PolarHBondContact ND2-OG1 2.95Å; N104-T106 PolarHBondContact O-N 2.68Å; N104-T106 WeakPolarHBondContact OD1-CB 3.05Å; N104-T106 PolarHBondContact OD1-N 2.72Å; N104-T106 PolarHBondContact OD1-OG1 2.57Å; N104-L107 HydrophobicContact CB-CD1 4.03Å; N104-L107 HydrophobicContact CB-CG 4.36Å | ||
| 105 | E | 82.8 | Confident | 80.9 | Confident | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.8 | -179.1 | -58 | -177.4 | 77.1 | 0 | 0 | 113.7 | V103 F129 S131 | V103-E105 PolarHBondContact O-N 2.75Å; E105-F129 VanDerWaalsContact CD-CD1 3.48Å; E105-F129 HydrophobicContact CG-CD1 3.42Å; E105-F129 VanDerWaalsContact CG-CD1 3.42Å; E105-F129 HydrophobicContact CG-CE1 3.89Å; E105-F129 HydrophobicContact CG-CG 4.28Å; E105-F129 WeakPolarHBondContact OE2-CB 3.21Å; E105-S131 PolarHBondContact OE2-OG 3.38Å |
| 106 | T | 76.6 | Confident | 81.1 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.1 | -175.8 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | N104 | N104-T106 PolarHBondContact ND2-OG1 2.95Å; N104-T106 PolarHBondContact O-N 2.68Å; N104-T106 WeakPolarHBondContact OD1-CB 3.05Å; N104-T106 PolarHBondContact OD1-N 2.72Å; N104-T106 PolarHBondContact OD1-OG1 2.57Å |
| 107 | L | 69.9 | Low | 81.2 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -90.5 | 128.9 | 178 | -64.5 | 171.9 | 0 | 0 | 0 | 110.4 | N104 D109 Q112 | N104-L107 HydrophobicContact CB-CD1 4.03Å; N104-L107 HydrophobicContact CB-CG 4.36Å; L107-D109 VanDerWaalsContact C-N 3.3Å; L107-D109 PolarHBondContact O-N 2.69Å; L107-Q112 VanDerWaalsContact CD1-NE2 3.31Å |
| 108 | L | 43.9 | Very low | 81.2 | Confident | 166 Ų | 166 | 57 Ų | 57 | 87% | 0.869 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -60.4 | -33.3 | -170.3 | -94.4 | 73.4 | 0 | 0 | 0 | 114.5 | ||
| 109 | D | 52.7 | Low | 81.2 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -107.7 | 98.4 | -172.5 | -55.9 | -63.3 | 0 | 0 | 0 | 111.1 | L107 H111 | L107-D109 VanDerWaalsContact C-N 3.3Å; L107-D109 PolarHBondContact O-N 2.69Å; D109-H111 PolarHBondContact O-N 2.77Å |
| 110 | N | 60.1 | Low | 81.1 | Confident | 71 Ų | 71 | 58 Ų | 58 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | trans | -83.2 | 41.8 | -162.4 | -150.6 | -23.3 | 0 | 0 | 0 | 115.4 | Q112 I113 | N110-Q112 PolarHBondContact O-N 2.79Å; N110-Q112 VanDerWaalsContact O-N 3.16Å; N110-I113 WeakPolarHBondContact ND2-CD1 2.91Å; N110-I113 PolarHBondContact O-N 2.77Å; N110-I113 VanDerWaalsContact OD1-CG1 3.26Å; N110-I113 WeakPolarHBondContact OD1-CG1 3.17Å; N110-I113 PolarHBondContact OD1-N 3.34Å | ||
| 111 | H | 68.6 | Low | 80.8 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -21.6 | 169.4 | -69.8 | -65.7 | 0 | 0 | 0 | 112.8 | D109 I113 E114 L115 D1377 | D109-H111 PolarHBondContact O-N 2.77Å; H111-I113 PolarHBondContact O-N 3.26Å; H111-E114 PolarHBondContact O-N 3.03Å; H111-L115 PolarHBondContact O-N 3.18Å; H111-D1377 IonicContact CD2-OD2 2.96Å; H111-D1377 IonicContact CE1-OD2 2.9Å; H111-D1377 PolarHBondContact CE1-OD2 3.45Å; H111-D1377 VanDerWaalsContact CE1-OD2 3.29Å; H111-D1377 IonicContact NE2-OD2 3.85Å; H111-D1377 PolarHBondContact NE2-OD2 3.11Å |
| 112 | Q | 81.1 | Confident | 80.5 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 175 | -69.2 | -155.7 | 7.8 | 0 | 0 | 113 | A84 V103 L107 N110 E114 A116 | A84-Q112 HydrophobicContact CB-CB 3.66Å; A84-Q112 HydrophobicContact CB-CG 3.86Å; V103-Q112 HydrophobicContact CG1-CB 4.17Å; L107-Q112 VanDerWaalsContact CD1-NE2 3.31Å; N110-Q112 PolarHBondContact O-N 2.79Å; N110-Q112 VanDerWaalsContact O-N 3.16Å; Q112-E114 VanDerWaalsContact C-N 3.35Å; Q112-A116 WeakPolarHBondContact O-CB 3.4Å; Q112-A116 PolarHBondContact O-N 2.74Å; Q112-A116 VanDerWaalsContact O-N 3.07Å |
| 113 | I | 85.9 | Confident | 80.3 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 175.5 | -80.8 | 177.9 | 0 | 0 | 0 | 111.8 | V103 N110 H111 A116 R117 F129 | V103-I113 HydrophobicContact CB-CG1 4.47Å; V103-I113 HydrophobicContact CG1-CD1 4.44Å; V103-I113 HydrophobicContact CG1-CG1 3.78Å; V103-I113 HydrophobicContact CG2-CG1 3.99Å; N110-I113 WeakPolarHBondContact ND2-CD1 2.91Å; N110-I113 PolarHBondContact O-N 2.77Å; N110-I113 VanDerWaalsContact OD1-CG1 3.26Å; N110-I113 WeakPolarHBondContact OD1-CG1 3.17Å; N110-I113 PolarHBondContact OD1-N 3.34Å; H111-I113 PolarHBondContact O-N 3.26Å; I113-A116 PolarHBondContact O-N 3.04Å; I113-R117 HydrophobicContact CG2-CG 4.07Å; I113-R117 VanDerWaalsContact CG2-NE 3.35Å; I113-R117 VanDerWaalsContact O-CB 3.25Å; I113-R117 WeakPolarHBondContact O-CB 3.05Å; I113-R117 VanDerWaalsContact O-CG 3.28Å; I113-R117 WeakPolarHBondContact O-CG 3.43Å; I113-R117 PolarHBondContact O-N 3.23Å; I113-F129 HydrophobicContact CD1-CE1 4.04Å; I113-F129 HydrophobicContact CD1-CZ 4.08Å; I113-F129 HydrophobicContact CG1-CE1 4.44Å |
| 114 | E | 84.1 | Confident | 80.3 | Confident | 135 Ų | 135 | 71.3 Ų | 71.3 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.6 | -46.3 | -177.7 | -171.7 | 162.1 | -146.6 | 0 | 0 | 111.4 | H111 Q112 Q118 | H111-E114 PolarHBondContact O-N 3.03Å; Q112-E114 VanDerWaalsContact C-N 3.35Å; E114-Q118 VanDerWaalsContact O-CB 3.29Å; E114-Q118 WeakPolarHBondContact O-CB 2.98Å; E114-Q118 PolarHBondContact O-N 3.12Å |
| 115 | L | 87.5 | Confident | 80.5 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 173.8 | 179.3 | 64.8 | 0 | 0 | 0 | 112 | A84 A86 H111 Q118 L119 | A84-L115 WeakPolarHBondContact O-CD2 2.97Å; A86-L115 HydrophobicContact CB-CD2 4.07Å; H111-L115 PolarHBondContact O-N 3.18Å; L115-Q118 PolarHBondContact O-N 3.01Å; L115-L119 HydrophobicContact CD1-CD1 3.81Å; L115-L119 HydrophobicContact CD1-CG 4.11Å; L115-L119 HydrophobicContact CG-CD1 4.09Å; L115-L119 PolarHBondContact O-N 3.27Å |
| 116 | A | 90.3 | Very high | 81 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I101 V103 Q112 I113 S120 W127 | I101-A116 HydrophobicContact CB-CB 4.33Å; I101-A116 HydrophobicContact CG2-CB 3.78Å; V103-A116 HydrophobicContact CG2-CB 3.93Å; Q112-A116 WeakPolarHBondContact O-CB 3.4Å; Q112-A116 PolarHBondContact O-N 2.74Å; Q112-A116 VanDerWaalsContact O-N 3.07Å; I113-A116 PolarHBondContact O-N 3.04Å; A116-S120 WeakPolarHBondContact O-CB 3.23Å; A116-S120 PolarHBondContact O-N 3.36Å; A116-W127 HydrophobicContact CB-CB 3.82Å; A116-W127 HydrophobicContact CB-CD2 4.33Å; A116-W127 HydrophobicContact CB-CE3 4.4Å; A116-W127 HydrophobicContact CB-CG 4.1Å |
| 117 | R | 88.3 | Confident | 81.8 | Confident | 125 Ų | 125 | 70.4 Ų | 70.4 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 175.4 | -74.5 | -179.8 | 179.8 | 174.1 | 4.2 | 111.9 | I113 S120 L121 W127 | I113-R117 HydrophobicContact CG2-CG 4.07Å; I113-R117 VanDerWaalsContact CG2-NE 3.35Å; I113-R117 VanDerWaalsContact O-CB 3.25Å; I113-R117 WeakPolarHBondContact O-CB 3.05Å; I113-R117 VanDerWaalsContact O-CG 3.28Å; I113-R117 WeakPolarHBondContact O-CG 3.43Å; I113-R117 PolarHBondContact O-N 3.23Å; R117-S120 PolarHBondContact O-N 3.21Å; R117-L121 WeakPolarHBondContact O-CB 3.26Å; R117-L121 VanDerWaalsContact O-CG 3.27Å; R117-L121 WeakPolarHBondContact O-CG 2.9Å; R117-L121 PolarHBondContact O-N 3.12Å; R117-W127 HydrophobicContact CG-CH2 4.45Å; R117-W127 HydrophobicContact CG-CZ2 3.83Å |
| 118 | Q | 88.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | -177.5 | -174.3 | 57.6 | 42.5 | 0 | 0 | 111.7 | E114 L115 S120 L121 D122 | E114-Q118 VanDerWaalsContact O-CB 3.29Å; E114-Q118 WeakPolarHBondContact O-CB 2.98Å; E114-Q118 PolarHBondContact O-N 3.12Å; L115-Q118 PolarHBondContact O-N 3.01Å; Q118-S120 PolarHBondContact O-N 3.3Å; Q118-L121 PolarHBondContact O-N 3.23Å; Q118-D122 VanDerWaalsContact NE2-CG 3.26Å; Q118-D122 PolarHBondContact NE2-OD1 2.93Å; Q118-D122 PolarHBondContact NE2-OD2 3Å; Q118-D122 WeakPolarHBondContact O-CB 2.93Å; Q118-D122 PolarHBondContact O-N 3Å |
| 119 | L | 90.2 | Very high | 85.2 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -25.8 | 176.2 | -72.2 | 175.6 | 0 | 0 | 0 | 112.8 | C89 L93 I101 L115 G123 Y124 A125 | C89-L119 HydrophobicContact CB-CD1 4.13Å; L93-L119 HydrophobicContact CD1-CD1 4.22Å; L93-L119 HydrophobicContact CD1-CD2 3.85Å; I101-L119 HydrophobicContact CD1-CB 4.14Å; I101-L119 HydrophobicContact CD1-CD1 3.66Å; L115-L119 HydrophobicContact CD1-CD1 3.81Å; L115-L119 HydrophobicContact CD1-CG 4.11Å; L115-L119 HydrophobicContact CG-CD1 4.09Å; L115-L119 PolarHBondContact O-N 3.27Å; L119-G123 PolarHBondContact O-N 3.22Å; L119-Y124 PolarHBondContact O-N 3.27Å; L119-A125 HydrophobicContact CB-CB 4.17Å; L119-A125 PolarHBondContact O-N 3.4Å; L119-A125 VanDerWaalsContact O-N 3.15Å |
| 120 | S | 91.1 | Very high | 87.1 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -86 | -36.9 | 176.8 | -158.1 | 0 | 0 | 0 | 0 | 113.9 | A116 R117 Q118 D122 G123 A125 | A116-S120 WeakPolarHBondContact O-CB 3.23Å; A116-S120 PolarHBondContact O-N 3.36Å; R117-S120 PolarHBondContact O-N 3.21Å; Q118-S120 PolarHBondContact O-N 3.3Å; S120-D122 VanDerWaalsContact C-N 3.33Å; S120-G123 WeakPolarHBondContact O-CA 2.93Å; S120-G123 PolarHBondContact O-N 3.29Å; S120-A125 WeakPolarHBondContact CA-O 2.93Å; S120-A125 VanDerWaalsContact CB-O 3.26Å; S120-A125 WeakPolarHBondContact CB-O 3.04Å; S120-A125 PolarHBondContact OG-O 2.7Å |
| 121 | L | 88.1 | Confident | 88.5 | Confident | 136 Ų | 136 | 56.3 Ų | 56.3 | 71% | 0.712 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 170.3 | -73.4 | 166.9 | 0 | 0 | 0 | 111.6 | R117 Q118 G123 | R117-L121 WeakPolarHBondContact O-CB 3.26Å; R117-L121 VanDerWaalsContact O-CG 3.27Å; R117-L121 WeakPolarHBondContact O-CG 2.9Å; R117-L121 PolarHBondContact O-N 3.12Å; Q118-L121 PolarHBondContact O-N 3.23Å; L121-G123 PolarHBondContact O-N 3.38Å |
| 122 | D | 87.3 | Confident | 89.6 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.2 | 172.2 | -71 | -35.3 | 0 | 0 | 0 | 112.5 | Q118 S120 Y124 K146 | Q118-D122 VanDerWaalsContact NE2-CG 3.26Å; Q118-D122 PolarHBondContact NE2-OD1 2.93Å; Q118-D122 PolarHBondContact NE2-OD2 3Å; Q118-D122 WeakPolarHBondContact O-CB 2.93Å; Q118-D122 PolarHBondContact O-N 3Å; S120-D122 VanDerWaalsContact C-N 3.33Å; D122-Y124 HydrophobicContact CB-CD2 3.61Å; D122-Y124 HydrophobicContact CB-CE2 3.79Å; D122-K146 VanDerWaalsContact O-CD 3.31Å; D122-K146 WeakPolarHBondContact O-CD 3.21Å; D122-K146 VanDerWaalsContact O-CE 3.31Å; D122-K146 WeakPolarHBondContact O-CE 3.24Å; D122-K146 PolarHBondContact O-NZ 3.22Å |
| 123 | G | 90.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 18.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L119 S120 L121 K146 | L119-G123 PolarHBondContact O-N 3.22Å; S120-G123 WeakPolarHBondContact O-CA 2.93Å; S120-G123 PolarHBondContact O-N 3.29Å; L121-G123 PolarHBondContact O-N 3.38Å; G123-K146 PolarHBondContact O-N 3.06Å |
| 124 | Y | 91.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -90 | -20.5 | 179.1 | -66.8 | -61.1 | 0 | 0 | 0 | 113.9 | L119 D122 K146 W148 | L119-Y124 PolarHBondContact O-N 3.27Å; D122-Y124 HydrophobicContact CB-CD2 3.61Å; D122-Y124 HydrophobicContact CB-CE2 3.79Å; Y124-K146 HydrophobicContact CD1-CB 4.02Å; Y124-K146 WeakPolarHBondContact CD1-O 3.24Å; Y124-K146 HydrophobicContact CE1-CB 3.98Å; Y124-W148 HydrophobicContact CD1-CB 4.44Å; Y124-W148 AromaticContact CD1-CE3 3.84Å; Y124-W148 HydrophobicContact CD1-CE3 3.84Å; Y124-W148 AromaticContact CD2-CE3 3.85Å; Y124-W148 HydrophobicContact CD2-CE3 3.85Å; Y124-W148 AromaticContact CD2-CZ3 3.83Å; Y124-W148 HydrophobicContact CD2-CZ3 3.83Å; Y124-W148 AromaticContact CE1-CE3 3.86Å; Y124-W148 HydrophobicContact CE1-CE3 3.86Å; Y124-W148 AromaticContact CE2-CE3 3.85Å; Y124-W148 HydrophobicContact CE2-CE3 3.85Å; Y124-W148 AromaticContact CE2-CZ3 3.78Å; Y124-W148 HydrophobicContact CE2-CZ3 3.78Å; Y124-W148 AromaticContact CG-CE3 3.85Å; Y124-W148 HydrophobicContact CG-CE3 3.85Å; Y124-W148 HydrophobicContact CG-CZ3 4.28Å; Y124-W148 AromaticContact CZ-CE3 3.86Å |
| 125 | A | 92.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | trans | -144.7 | 161.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L99 I101 L119 S120 | L99-A125 HydrophobicContact CB-CB 4.18Å; L99-A125 HydrophobicContact CD2-CB 4.1Å; L99-A125 HydrophobicContact CG-CB 4.06Å; L99-A125 WeakPolarHBondContact O-CA 3.21Å; I101-A125 HydrophobicContact CD1-CB 3.78Å; I101-A125 HydrophobicContact CG1-CB 4.08Å; L119-A125 HydrophobicContact CB-CB 4.17Å; L119-A125 PolarHBondContact O-N 3.4Å; L119-A125 VanDerWaalsContact O-N 3.15Å; S120-A125 WeakPolarHBondContact CA-O 2.93Å; S120-A125 VanDerWaalsContact CB-O 3.26Å; S120-A125 WeakPolarHBondContact CB-O 3.04Å; S120-A125 PolarHBondContact OG-O 2.7Å | ||
| 126 | H | 92.9 | Very high | 90.9 | Very high | 89 Ų | 89 | 52.5 Ų | 52.5 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 161.1 | 156.2 | -82.5 | -79.1 | 0 | 0 | 0 | 109.5 | L99 L100 I101 F140 T144 | L99-H126 PolarHBondContact O-N 2.64Å; L100-H126 HydrophobicContact CD1-CB 3.78Å; I101-H126 PolarHBondContact N-O 3.39Å; H126-F140 HydrophobicContact CB-CD2 3.74Å; H126-F140 HydrophobicContact CB-CE2 3.9Å; H126-F140 AromaticContact CD2-CD2 3.58Å; H126-F140 AromaticContact CD2-CE2 3.78Å; H126-F140 AromaticContact CG-CD2 3.9Å; H126-T144 WeakPolarHBondContact NE2-CB 3.19Å; H126-T144 PolarHBondContact NE2-OG1 3.14Å |
| 127 | W | 93.4 | Very high | 90.9 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.8 | 173.6 | 73.9 | -73 | 0 | 0 | 0 | 112.6 | I101 V103 A116 R117 F129 | I101-W127 HydrophobicContact CB-CB 4.17Å; I101-W127 CarbonylContact O-C 3.59Å; I101-W127 WeakPolarHBondContact O-CA 3.28Å; V103-W127 HydrophobicContact CG2-CE3 4.01Å; V103-W127 HydrophobicContact CG2-CZ3 4.42Å; A116-W127 HydrophobicContact CB-CB 3.82Å; A116-W127 HydrophobicContact CB-CD2 4.33Å; A116-W127 HydrophobicContact CB-CE3 4.4Å; A116-W127 HydrophobicContact CB-CG 4.1Å; R117-W127 HydrophobicContact CG-CH2 4.45Å; R117-W127 HydrophobicContact CG-CZ2 3.83Å; W127-F129 HydrophobicContact CH2-CE2 4.14Å; W127-F129 HydrophobicContact CH2-CZ 4.11Å; W127-F129 HydrophobicContact CZ3-CD2 4.46Å; W127-F129 HydrophobicContact CZ3-CE1 4.12Å; W127-F129 AromaticContact CZ3-CE2 3.83Å; W127-F129 HydrophobicContact CZ3-CE2 3.83Å; W127-F129 AromaticContact CZ3-CZ 3.65Å; W127-F129 HydrophobicContact CZ3-CZ 3.65Å |
| 128 | S | 93.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 176.5 | 177.4 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | I101 V102 V103 E132 A136 | I101-S128 PolarHBondContact O-N 2.75Å; V102-S128 WeakPolarHBondContact CA-O 3.3Å; V103-S128 PolarHBondContact N-O 2.72Å; S128-E132 WeakPolarHBondContact OG-CB 3.2Å; S128-E132 PolarHBondContact OG-O 2.92Å; S128-A136 VanDerWaalsContact CB-CB 3.46Å; S128-A136 WeakPolarHBondContact OG-CB 3.5Å |
| 129 | F | 92.4 | Very high | 90.9 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 162.1 | 165.5 | -63.1 | -67.9 | 0 | 0 | 0 | 111.1 | V103 E105 I113 W127 S131 E132 L133 | V103-F129 HydrophobicContact CB-CD1 3.96Å; V103-F129 HydrophobicContact CB-CE1 4.07Å; V103-F129 HydrophobicContact CG1-CD1 4.18Å; V103-F129 HydrophobicContact CG1-CE1 3.96Å; E105-F129 VanDerWaalsContact CD-CD1 3.48Å; E105-F129 HydrophobicContact CG-CD1 3.42Å; E105-F129 VanDerWaalsContact CG-CD1 3.42Å; E105-F129 HydrophobicContact CG-CE1 3.89Å; E105-F129 HydrophobicContact CG-CG 4.28Å; E105-F129 WeakPolarHBondContact OE2-CB 3.21Å; I113-F129 HydrophobicContact CD1-CE1 4.04Å; I113-F129 HydrophobicContact CD1-CZ 4.08Å; I113-F129 HydrophobicContact CG1-CE1 4.44Å; W127-F129 HydrophobicContact CH2-CE2 4.14Å; W127-F129 HydrophobicContact CH2-CZ 4.11Å; W127-F129 HydrophobicContact CZ3-CD2 4.46Å; W127-F129 HydrophobicContact CZ3-CE1 4.12Å; W127-F129 AromaticContact CZ3-CE2 3.83Å; W127-F129 HydrophobicContact CZ3-CE2 3.83Å; W127-F129 AromaticContact CZ3-CZ 3.65Å; W127-F129 HydrophobicContact CZ3-CZ 3.65Å; F129-S131 WeakPolarHBondContact CB-OG 3.05Å; F129-S131 PolarHBondContact O-N 2.72Å; F129-E132 PolarHBondContact O-N 3.3Å; F129-L133 PolarHBondContact O-N 3.02Å |
| 130 | A | 90.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 49 Ų | 49 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.6 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F15 E17 A21 V102 | F15-A130 HydrophobicContact CE2-CB 3.97Å; F15-A130 HydrophobicContact CZ-CB 3.91Å; E17-A130 HydrophobicContact CB-CB 4.08Å; A21-A130 WeakPolarHBondContact CB-O 3.14Å; V102-A130 HydrophobicContact CG1-CB 4.2Å |
| 131 | S | 90.3 | Very high | 90.5 | Very high | 79 Ų | 79 | 51 Ų | 51 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33.7 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | E105 F129 | E105-S131 PolarHBondContact OE2-OG 3.38Å; F129-S131 WeakPolarHBondContact CB-OG 3.05Å; F129-S131 PolarHBondContact O-N 2.72Å |
| 132 | E | 91.1 | Very high | 90.1 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9.6 | -177.3 | -62.1 | -175.1 | 159.4 | 0 | 0 | 113.2 | S128 F129 Q135 A136 | S128-E132 WeakPolarHBondContact OG-CB 3.2Å; S128-E132 PolarHBondContact OG-O 2.92Å; F129-E132 PolarHBondContact O-N 3.3Å; E132-Q135 PolarHBondContact O-N 2.96Å; E132-Q135 PolarHBondContact O-OE1 2.83Å; E132-A136 PolarHBondContact O-N 2.87Å |
| 133 | L | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | -174.2 | -175.2 | 62.1 | 0 | 0 | 0 | 114.1 | L18 A21 V22 L100 V102 F129 Q135 A136 L137 | L18-L133 HydrophobicContact CD1-CD2 3.83Å; A21-L133 HydrophobicContact CB-CB 4.21Å; A21-L133 HydrophobicContact CB-CD2 3.77Å; V22-L133 HydrophobicContact CG2-CD2 3.58Å; L100-L133 HydrophobicContact CD2-CD1 4.04Å; V102-L133 HydrophobicContact CG2-CD1 3.87Å; F129-L133 PolarHBondContact O-N 3.02Å; L133-Q135 VanDerWaalsContact C-N 3.34Å; L133-Q135 PolarHBondContact O-N 2.7Å; L133-A136 PolarHBondContact O-N 3.32Å; L133-L137 HydrophobicContact CD1-CD1 4.21Å; L133-L137 HydrophobicContact CD1-CD2 4.45Å; L133-L137 HydrophobicContact CD1-CG 3.89Å; L133-L137 HydrophobicContact CD2-CD1 4.41Å; L133-L137 HydrophobicContact CG-CD1 3.89Å; L133-L137 HydrophobicContact CG-CG 4.06Å; L133-L137 VanDerWaalsContact O-CB 3.29Å; L133-L137 WeakPolarHBondContact O-CB 3.11Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 2.83Å |
| 134 | P | 90.5 | Very high | 89.3 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.6 | -24.3 | 35.4 | 0 | 0 | 0 | 113 | Q26 I30 S138 | Q26-P134 HydrophobicContact CB-CB 4.41Å; I30-P134 HydrophobicContact CD1-CB 4.17Å; I30-P134 VanDerWaalsContact CD1-O 3.27Å; I30-P134 WeakPolarHBondContact CD1-O 3.36Å; P134-S138 WeakPolarHBondContact O-CB 3.42Å; P134-S138 PolarHBondContact O-N 3.17Å |
| 135 | Q | 91 | Very high | 89.1 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.9 | -47.2 | 177.6 | -65.2 | 82.8 | -18.4 | 0 | 0 | 110.4 | E132 L133 S138 A139 | E132-Q135 PolarHBondContact O-N 2.96Å; E132-Q135 PolarHBondContact O-OE1 2.83Å; L133-Q135 VanDerWaalsContact C-N 3.34Å; L133-Q135 PolarHBondContact O-N 2.7Å; Q135-S138 WeakPolarHBondContact O-CB 3.44Å; Q135-S138 PolarHBondContact O-N 3.03Å; Q135-S138 VanDerWaalsContact O-N 3.16Å; Q135-A139 PolarHBondContact O-N 2.93Å |
| 136 | A | 91.1 | Very high | 88.7 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S128 E132 L133 S138 A139 F140 | S128-A136 VanDerWaalsContact CB-CB 3.46Å; S128-A136 WeakPolarHBondContact OG-CB 3.5Å; E132-A136 PolarHBondContact O-N 2.87Å; L133-A136 PolarHBondContact O-N 3.32Å; A136-S138 PolarHBondContact O-N 2.96Å; A136-A139 PolarHBondContact O-N 3.47Å; A136-F140 VanDerWaalsContact O-CB 3.24Å; A136-F140 WeakPolarHBondContact O-CB 3.34Å; A136-F140 PolarHBondContact O-N 2.82Å |
| 137 | L | 91.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -30.1 | 174 | -76.2 | 176.4 | 0 | 0 | 0 | 112.5 | I30 L31 K34 I81 L100 L133 | I30-L137 HydrophobicContact CG2-CB 3.92Å; I30-L137 WeakPolarHBondContact CG2-O 3.01Å; L31-L137 HydrophobicContact CD2-CD1 4.41Å; L31-L137 HydrophobicContact CD2-CD2 4.06Å; L31-L137 HydrophobicContact CG-CD1 4.41Å; K34-L137 WeakPolarHBondContact CE-O 3.49Å; I81-L137 HydrophobicContact CD1-CD2 4.02Å; L100-L137 HydrophobicContact CD2-CD2 3.9Å; L100-L137 HydrophobicContact CD2-CG 4.5Å; L133-L137 HydrophobicContact CD1-CD1 4.21Å; L133-L137 HydrophobicContact CD1-CD2 4.45Å; L133-L137 HydrophobicContact CD1-CG 3.89Å; L133-L137 HydrophobicContact CD2-CD1 4.41Å; L133-L137 HydrophobicContact CG-CD1 3.89Å; L133-L137 HydrophobicContact CG-CG 4.06Å; L133-L137 VanDerWaalsContact O-CB 3.29Å; L133-L137 WeakPolarHBondContact O-CB 3.11Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 2.83Å |
| 138 | S | 89.1 | Confident | 87.3 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.1 | -50.7 | 173.4 | -166.7 | 0 | 0 | 0 | 0 | 111.1 | K34 P134 Q135 A136 F140 | K34-S138 WeakPolarHBondContact CE-O 3.15Å; K34-S138 PolarHBondContact NZ-O 3.43Å; P134-S138 WeakPolarHBondContact O-CB 3.42Å; P134-S138 PolarHBondContact O-N 3.17Å; Q135-S138 WeakPolarHBondContact O-CB 3.44Å; Q135-S138 PolarHBondContact O-N 3.03Å; Q135-S138 VanDerWaalsContact O-N 3.16Å; A136-S138 PolarHBondContact O-N 2.96Å; S138-F140 PolarHBondContact O-N 3.17Å |
| 139 | A | 88.2 | Confident | 85.9 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -72.7 | -22.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q135 A136 D141 | Q135-A139 PolarHBondContact O-N 2.93Å; A136-A139 PolarHBondContact O-N 3.47Å; A139-D141 PolarHBondContact O-N 3.24Å |
| 140 | F | 88.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.022 | 35% | 0.353 | C | S | . | . | trans | -64.3 | 116.3 | -175.4 | -174.1 | -110.7 | 0 | 0 | 0 | 112.3 | K34 W79 L100 H126 A136 S138 P142 L145 | K34-F140 WeakPolarHBondContact CE-O 3.03Å; K34-F140 PolarHBondContact NZ-O 2.85Å; W79-F140 HydrophobicContact CD2-CD1 4.45Å; W79-F140 AromaticContact CD2-CE1 3.99Å; W79-F140 HydrophobicContact CD2-CE1 3.99Å; W79-F140 AromaticContact CE2-CE1 3.98Å; W79-F140 HydrophobicContact CE3-CD1 4.14Å; W79-F140 HydrophobicContact CE3-CE1 4.04Å; W79-F140 AromaticContact CH2-CD1 3.57Å; W79-F140 HydrophobicContact CH2-CD1 3.57Å; W79-F140 HydrophobicContact CH2-CE1 4.04Å; W79-F140 AromaticContact CZ2-CD1 3.96Å; W79-F140 HydrophobicContact CZ2-CD1 3.96Å; W79-F140 HydrophobicContact CZ2-CE1 4.03Å; W79-F140 AromaticContact CZ3-CD1 3.7Å; W79-F140 HydrophobicContact CZ3-CD1 3.7Å; W79-F140 HydrophobicContact CZ3-CE1 4.06Å; L100-F140 HydrophobicContact CB-CD2 4.48Å; L100-F140 HydrophobicContact CB-CE2 4.17Å; L100-F140 HydrophobicContact CB-CZ 4.33Å; L100-F140 HydrophobicContact CD1-CD2 4.35Å; H126-F140 HydrophobicContact CB-CD2 3.74Å; H126-F140 HydrophobicContact CB-CE2 3.9Å; H126-F140 AromaticContact CD2-CD2 3.58Å; H126-F140 AromaticContact CD2-CE2 3.78Å; H126-F140 AromaticContact CG-CD2 3.9Å; A136-F140 VanDerWaalsContact O-CB 3.24Å; A136-F140 WeakPolarHBondContact O-CB 3.34Å; A136-F140 PolarHBondContact O-N 2.82Å; S138-F140 PolarHBondContact O-N 3.17Å; F140-P142 HydrophobicContact CD1-CG 4.41Å; F140-P142 HydrophobicContact CE1-CG 3.99Å; F140-L145 HydrophobicContact CE2-CD1 4.03Å; F140-L145 HydrophobicContact CZ-CD1 4.05Å | ||
| 141 | D | 84.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | trans | -119.1 | 111.6 | 169.3 | -174.5 | -22.4 | 0 | 0 | 0 | 109.2 | A139 S143 T144 | A139-D141 PolarHBondContact O-N 3.24Å; D141-S143 PolarHBondContact O-N 3.26Å; D141-S143 VanDerWaalsContact O-N 3.13Å; D141-S143 WeakPolarHBondContact OD1-CB 3.03Å; D141-S143 PolarHBondContact OD1-N 3.42Å; D141-S143 PolarHBondContact OD1-OG 2.99Å; D141-S143 PolarHBondContact OD2-OG 3.28Å; D141-T144 HydrophobicContact CB-CG2 4.11Å; D141-T144 PolarHBondContact O-N 3.36Å; D141-T144 VanDerWaalsContact O-N 3.16Å; D141-T144 PolarHBondContact O-OG1 2.92Å | ||
| 142 | P | 78.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 70 Ų | 70 | 21% | 0.208 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -53.6 | -29.7 | 177.5 | -29.1 | 35.9 | 0 | 0 | 0 | 115.1 | W79 F140 T144 L145 | W79-P142 HydrophobicContact CH2-CG 4.31Å; W79-P142 HydrophobicContact CZ2-CG 3.22Å; F140-P142 HydrophobicContact CD1-CG 4.41Å; F140-P142 HydrophobicContact CE1-CG 3.99Å; P142-T144 PolarHBondContact O-N 3.08Å; P142-L145 PolarHBondContact O-N 3.37Å |
| 143 | S | 78.7 | Confident | 75.6 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 69% | 0.685 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -70.8 | -11.4 | -176.2 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | D141 | D141-S143 PolarHBondContact O-N 3.26Å; D141-S143 VanDerWaalsContact O-N 3.13Å; D141-S143 WeakPolarHBondContact OD1-CB 3.03Å; D141-S143 PolarHBondContact OD1-N 3.42Å; D141-S143 PolarHBondContact OD1-OG 2.99Å; D141-S143 PolarHBondContact OD2-OG 3.28Å |
| 144 | T | 82.4 | Confident | 72.4 | Confident | 81 Ų | 81 | 78.2 Ų | 78.2 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -83 | -16.4 | 175.1 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | H126 D141 P142 | H126-T144 WeakPolarHBondContact NE2-CB 3.19Å; H126-T144 PolarHBondContact NE2-OG1 3.14Å; D141-T144 HydrophobicContact CB-CG2 4.11Å; D141-T144 PolarHBondContact O-N 3.36Å; D141-T144 VanDerWaalsContact O-N 3.16Å; D141-T144 PolarHBondContact O-OG1 2.92Å; P142-T144 PolarHBondContact O-N 3.08Å |
| 145 | L | 86.3 | Confident | 69.5 | Low | 31 Ų | 31 | 83.3 Ų | 83.3 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -81.5 | 136.7 | -176.2 | -62.1 | -176.6 | 0 | 0 | 0 | 111.8 | F140 P142 | F140-L145 HydrophobicContact CE2-CD1 4.03Å; F140-L145 HydrophobicContact CZ-CD1 4.05Å; P142-L145 PolarHBondContact O-N 3.37Å |
| 146 | K | 83.9 | Confident | 66.6 | Low | 121 Ų | 121 | 83 Ų | 83 | 53% | 0.526 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 137.7 | 171 | -61.1 | -179 | -162.9 | 159.8 | 0 | 109.6 | D122 G123 Y124 W148 | D122-K146 VanDerWaalsContact O-CD 3.31Å; D122-K146 WeakPolarHBondContact O-CD 3.21Å; D122-K146 VanDerWaalsContact O-CE 3.31Å; D122-K146 WeakPolarHBondContact O-CE 3.24Å; D122-K146 PolarHBondContact O-NZ 3.22Å; G123-K146 PolarHBondContact O-N 3.06Å; Y124-K146 HydrophobicContact CD1-CB 4.02Å; Y124-K146 WeakPolarHBondContact CD1-O 3.24Å; Y124-K146 HydrophobicContact CE1-CB 3.98Å; K146-W148 PolarHBondContact O-N 3.35Å |
| 147 | Q | 80.5 | Confident | 63.6 | Low | 142 Ų | 142 | 90.1 Ų | 90.1 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 129.5 | 173.6 | -162.8 | 173.7 | 41.6 | 0 | 0 | 110.2 | ||
| 148 | W | 77.1 | Confident | 60.6 | Low | 74 Ų | 74 | 94.3 Ų | 94.3 | 28% | 0.28 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.8 | 175.3 | -176.9 | -108.9 | 0 | 0 | 0 | 110.8 | L90 L93 Y124 K146 | L90-W148 HydrophobicContact CD2-CZ2 4.36Å; L93-W148 HydrophobicContact CB-CB 4.03Å; L93-W148 HydrophobicContact CB-CD2 4.07Å; L93-W148 HydrophobicContact CB-CG 3.83Å; L93-W148 HydrophobicContact CD1-CE3 4.25Å; L93-W148 HydrophobicContact CD2-CB 4.33Å; L93-W148 WeakPolarHBondContact O-CB 3.44Å; Y124-W148 HydrophobicContact CD1-CB 4.44Å; Y124-W148 AromaticContact CD1-CE3 3.84Å; Y124-W148 HydrophobicContact CD1-CE3 3.84Å; Y124-W148 AromaticContact CD2-CE3 3.85Å; Y124-W148 HydrophobicContact CD2-CE3 3.85Å; Y124-W148 AromaticContact CD2-CZ3 3.83Å; Y124-W148 HydrophobicContact CD2-CZ3 3.83Å; Y124-W148 AromaticContact CE1-CE3 3.86Å; Y124-W148 HydrophobicContact CE1-CE3 3.86Å; Y124-W148 AromaticContact CE2-CE3 3.85Å; Y124-W148 HydrophobicContact CE2-CE3 3.85Å; Y124-W148 AromaticContact CE2-CZ3 3.78Å; Y124-W148 HydrophobicContact CE2-CZ3 3.78Å; Y124-W148 AromaticContact CG-CE3 3.85Å; Y124-W148 HydrophobicContact CG-CE3 3.85Å; Y124-W148 HydrophobicContact CG-CZ3 4.28Å; Y124-W148 AromaticContact CZ-CE3 3.86Å; K146-W148 PolarHBondContact O-N 3.35Å |
| 149 | H | 63.5 | Low | 57.7 | Low | 111 Ų | 111 | 95.8 Ų | 95.8 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | trans | -132.5 | 84.2 | -177.8 | -74 | -7.5 | 0 | 0 | 0 | 109.1 | S151 | H149-S151 PolarHBondContact O-N 3.37Å; H149-S151 VanDerWaalsContact O-N 3.08Å | ||
| 150 | S | 48.2 | Very low | 54.8 | Low | 47 Ų | 47 | 97.4 Ų | 97.4 | 33% | 0.329 | 55% | 0.548 | S | S | . | . | trans | -53.7 | 114.2 | -179 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | E94 K152 | E94-S150 PolarHBondContact OE1-OG 3.02Å; S150-K152 PolarHBondContact O-N 2.88Å | ||
| 151 | S | 36.9 | Very low | 51.9 | Low | 94 Ų | 94 | 104 Ų | 104 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | trans | -84 | 52.9 | -177.5 | 64 | 0 | 0 | 0 | 0 | 112.2 | H149 | H149-S151 PolarHBondContact O-N 3.37Å; H149-S151 VanDerWaalsContact O-N 3.08Å | ||
| 152 | K | 35.1 | Very low | 49.2 | Very low | 144 Ų | 144 | 104.3 Ų | 104.3 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -79.5 | 158.9 | 150.8 | -70.2 | 168.1 | -177.8 | 160.5 | 0 | 107.7 | S150 K154 | S150-K152 PolarHBondContact O-N 2.88Å; K152-K154 PolarHBondContact O-N 3.06Å |
| 153 | P | 28.4 | Very low | 47.5 | Very low | 125 Ų | 125 | 105 Ų | 105 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -56.4 | 114.4 | -177.2 | -26.1 | 35.3 | 0 | 0 | 0 | 111.6 | V155 | P153-V155 PolarHBondContact O-N 3.07Š| ||
| 154 | K | 27.5 | Very low | 46.6 | Very low | 148 Ų | 148 | 106.1 Ų | 106.1 | 64% | 0.643 | 62% | 0.617 | S | S | * | * | trans | -69 | 104.8 | 177.2 | -79.6 | -173.1 | 174.6 | -177.7 | 0 | 109.3 | K152 T156 | K152-K154 PolarHBondContact O-N 3.06Å; K154-T156 VanDerWaalsContact C-N 3.3Å; K154-T156 PolarHBondContact O-N 3.45Å; K154-T156 PolarHBondContact O-OG1 2.82Å | ||
| 155 | V | 29.7 | Very low | 46.4 | Very low | 126 Ų | 126 | 104.8 Ų | 104.8 | 76% | 0.764 | 60% | 0.603 | S | S | * | * | trans | -67.7 | 94.8 | 158.2 | 179 | 0 | 0 | 0 | 0 | 106.8 | P153 M157 | P153-V155 PolarHBondContact O-N 3.07Å; V155-M157 PolarHBondContact O-N 3.35Å | ||
| 156 | T | 28.6 | Very low | 46 | Very low | 113 Ų | 113 | 107.6 Ų | 107.6 | 69% | 0.693 | 61% | 0.614 | S | S | * | * | trans | -71.4 | 92.1 | -174.5 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | K154 S158 | K154-T156 VanDerWaalsContact C-N 3.3Å; K154-T156 PolarHBondContact O-N 3.45Å; K154-T156 PolarHBondContact O-OG1 2.82Å; T156-S158 VanDerWaalsContact C-N 3.3Å; T156-S158 PolarHBondContact O-N 3.06Å | ||
| 157 | M | 28.2 | Very low | 46 | Very low | 170 Ų | 170 | 102 Ų | 102 | 84% | 0.837 | 59% | 0.589 | S | S | * | * | trans | -73 | 82.3 | 167 | -75 | -80.2 | 98.2 | 0 | 0 | 110.4 | V155 | V155-M157 PolarHBondContact O-N 3.35Š| ||
| 158 | S | 28.1 | Very low | 46.1 | Very low | 88 Ų | 88 | 97.3 Ų | 97.3 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | trans | -72.6 | 129.4 | 162.1 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | T156 T160 | T156-S158 VanDerWaalsContact C-N 3.3Å; T156-S158 PolarHBondContact O-N 3.06Å; S158-T160 PolarHBondContact O-N 3.38Å | ||
| 159 | A | 28.8 | Very low | 45.8 | Very low | 105 Ų | 105 | 97.4 Ų | 97.4 | 87% | 0.868 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -77.4 | 83.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 160 | T | 27.7 | Very low | 46.5 | Very low | 117 Ų | 117 | 99.9 Ų | 99.9 | 72% | 0.718 | 59% | 0.593 | S | S | * | * | trans | -151.5 | 117 | 164.5 | 7.8 | 0 | 0 | 0 | 0 | 112.9 | S158 | S158-T160 PolarHBondContact O-N 3.38Š| ||
| 161 | V | 27.3 | Very low | 48.4 | Very low | 143 Ų | 143 | 99.2 Ų | 99.2 | 87% | 0.867 | 58% | 0.584 | S | S | * | * | trans | 58.3 | 97.3 | 157.5 | -165.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 162 | G | 27.5 | Very low | 50.6 | Low | 81 Ų | 81 | 96 Ų | 96 | 84% | 0.835 | 56% | 0.558 | S | S | * | * | 92.1 | 135.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 163 | G | 42.8 | Very low | 52.8 | Low | 47 Ų | 47 | 92.6 Ų | 92.6 | 49% | 0.485 | 55% | 0.55 | S | S | . | . | trans | 124.4 | 92.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W165 | G163-W165 VanDerWaalsContact O-CD1 3.25Å; G163-W165 PolarHBondContact O-N 2.89Å | ||
| 164 | E | 61.3 | Low | 55.7 | Low | 121 Ų | 121 | 89.9 Ų | 89.9 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | trans | -65.6 | 110.9 | 165.4 | -62.9 | 173.3 | 129.6 | 0 | 0 | 109.8 | F166 F233 K237 | E164-F166 HydrophobicContact CB-CD1 4.17Å; E164-F166 HydrophobicContact CB-CE1 3.62Å; E164-F166 HydrophobicContact CB-CZ 3.99Å; E164-F166 HydrophobicContact CG-CE1 3.75Å; E164-F166 HydrophobicContact CG-CZ 3.92Å; E164-F233 WeakPolarHBondContact O-CZ 3.3Å; E164-K237 WeakPolarHBondContact O-CE 3.19Å; E164-K237 PolarHBondContact O-NZ 3.09Å | ||
| 165 | W | 76.8 | Confident | 58.8 | Low | 52 Ų | 52 | 83.2 Ų | 83.2 | 20% | 0.197 | 50% | 0.499 | C | S | . | . | trans | -111 | 54.7 | 175.1 | -68.3 | 103 | 0 | 0 | 0 | 111.4 | G163 F233 L234 K237 V242 P245 P249 S251 L252 | G163-W165 VanDerWaalsContact O-CD1 3.25Å; G163-W165 PolarHBondContact O-N 2.89Å; W165-F233 HydrophobicContact CE3-CD1 4.31Å; W165-F233 AromaticContact CE3-CE1 3.86Å; W165-F233 HydrophobicContact CE3-CE1 3.86Å; W165-F233 HydrophobicContact CZ3-CE1 4.42Å; W165-L234 HydrophobicContact CZ3-CD2 3.88Å; W165-K237 HydrophobicContact CE3-CG 4.34Å; W165-K237 HydrophobicContact CH2-CB 4.05Å; W165-K237 HydrophobicContact CH2-CG 4.27Å; W165-K237 HydrophobicContact CZ3-CB 4.03Å; W165-K237 HydrophobicContact CZ3-CG 3.9Å; W165-V242 HydrophobicContact CH2-CG1 4.1Å; W165-V242 HydrophobicContact CZ2-CG1 3.64Å; W165-P245 HydrophobicContact CH2-CG 4.4Å; W165-P249 HydrophobicContact CB-CB 4.47Å; W165-P249 HydrophobicContact CD2-CG 4.38Å; W165-P249 HydrophobicContact CG-CG 4.39Å; W165-S251 VanDerWaalsContact O-CB 3.29Å; W165-S251 WeakPolarHBondContact O-CB 3.04Å; W165-S251 PolarHBondContact O-OG 3.3Å; W165-L252 HydrophobicContact CE3-CD1 3.92Å | ||
| 166 | F | 78.3 | Confident | 61.5 | Low | 91 Ų | 91 | 80.7 Ų | 80.7 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -141.9 | 142.3 | 173.8 | 59.4 | -93.9 | 0 | 0 | 0 | 109.9 | E164 T168 F233 | E164-F166 HydrophobicContact CB-CD1 4.17Å; E164-F166 HydrophobicContact CB-CE1 3.62Å; E164-F166 HydrophobicContact CB-CZ 3.99Å; E164-F166 HydrophobicContact CG-CE1 3.75Å; E164-F166 HydrophobicContact CG-CZ 3.92Å; F166-T168 HydrophobicContact CD2-CG2 4.43Å; F166-T168 HydrophobicContact CE2-CG2 4.01Å; F166-F233 WeakPolarHBondContact O-CE2 3.13Å; F166-F233 WeakPolarHBondContact O-CZ 3.33Å |
| 167 | I | 83.2 | Confident | 64.4 | Low | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.01 | 47% | 0.472 | C | S | . | . | trans | -83.3 | 120.5 | 176.6 | -46.5 | 178.5 | 0 | 0 | 0 | 109 | Q171 W172 Y175 A229 F233 L252 T255 | I167-Q171 HydrophobicContact CG2-CB 3.59Å; I167-W172 HydrophobicContact CG2-CB 4.24Å; I167-Y175 HydrophobicContact CD1-CE2 4.47Å; I167-Y175 HydrophobicContact CG2-CD2 3.96Å; I167-Y175 HydrophobicContact CG2-CE2 3.66Å; I167-A229 HydrophobicContact CD1-CB 3.87Å; I167-A229 WeakPolarHBondContact CD1-O 3.1Å; I167-F233 HydrophobicContact CB-CD2 4.29Å; I167-F233 HydrophobicContact CD1-CB 4.22Å; I167-F233 HydrophobicContact CG1-CB 4.03Å; I167-F233 HydrophobicContact CG1-CD2 3.79Å; I167-F233 HydrophobicContact CG1-CE2 4.42Å; I167-F233 HydrophobicContact CG1-CG 3.96Å; I167-F233 HydrophobicContact CG2-CD2 4.46Å; I167-L252 HydrophobicContact CD1-CD2 3.99Å; I167-L252 HydrophobicContact CG1-CD2 3.63Å; I167-T255 HydrophobicContact CB-CG2 3.76Å; I167-T255 HydrophobicContact CG1-CG2 4.31Å; I167-T255 WeakPolarHBondContact O-CG2 3.22Å | ||
| 168 | T | 82.9 | Confident | 67.4 | Low | 44 Ų | 44 | 76.8 Ų | 76.8 | 27% | 0.27 | 45% | 0.445 | S | S | . | . | trans | -67.2 | 154.7 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | F166 Q170 Q171 W172 | F166-T168 HydrophobicContact CD2-CG2 4.43Å; F166-T168 HydrophobicContact CE2-CG2 4.01Å; T168-Q170 PolarHBondContact O-N 3.18Å; T168-Q170 VanDerWaalsContact O-N 3.12Å; T168-Q171 PolarHBondContact O-N 3.2Å; T168-Q171 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact OG1-CB 3.48Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.15Å; T168-Q171 PolarHBondContact OG1-N 3.14Å; T168-Q171 VanDerWaalsContact OG1-N 3.14Å; T168-Q171 PolarHBondContact OG1-OE1 2.63Å; T168-W172 PolarHBondContact O-N 3.25Å | ||
| 169 | P | 71.9 | Confident | 70.5 | Confident | 77 Ų | 77 | 73.1 Ų | 73.1 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.3 | -29.9 | 174.8 | -26.1 | 34.6 | 0 | 0 | 0 | 113.6 | T173 | P169-T173 WeakPolarHBondContact O-CB 3.34Å; P169-T173 PolarHBondContact O-N 2.71Å; P169-T173 PolarHBondContact O-OG1 2.73Å |
| 170 | Q | 76.8 | Confident | 73.3 | Confident | 163 Ų | 163 | 72.4 Ų | 72.4 | 76% | 0.762 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -72.4 | -44.4 | 174.6 | -75 | 176.7 | -41.6 | 0 | 0 | 112.4 | T168 T173 N174 | T168-Q170 PolarHBondContact O-N 3.18Å; T168-Q170 VanDerWaalsContact O-N 3.12Å; Q170-T173 PolarHBondContact O-N 2.82Å; Q170-N174 WeakPolarHBondContact O-CB 3.34Å; Q170-N174 PolarHBondContact O-N 3.31Å; Q170-N174 VanDerWaalsContact O-N 3.1Å |
| 171 | Q | 87.8 | Confident | 76.2 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 15% | 0.15 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 172.1 | -78.4 | 163.6 | -49.5 | 0 | 0 | 111.3 | I167 T168 T173 N174 Y175 E236 | I167-Q171 HydrophobicContact CG2-CB 3.59Å; T168-Q171 PolarHBondContact O-N 3.2Å; T168-Q171 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact OG1-CB 3.48Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.15Å; T168-Q171 PolarHBondContact OG1-N 3.14Å; T168-Q171 VanDerWaalsContact OG1-N 3.14Å; T168-Q171 PolarHBondContact OG1-OE1 2.63Å; Q171-T173 PolarHBondContact O-N 3.38Å; Q171-N174 CarbonylContact O-C 3.58Å; Q171-N174 WeakPolarHBondContact O-CA 3.11Å; Q171-N174 WeakPolarHBondContact O-CB 3.2Å; Q171-N174 PolarHBondContact O-N 3.22Å; Q171-Y175 HydrophobicContact CB-CD2 4.48Å; Q171-Y175 HydrophobicContact CB-CE1 4.42Å; Q171-Y175 HydrophobicContact CB-CE2 3.9Å; Q171-Y175 PolarHBondContact NE2-OH 2.7Å; Q171-Y175 VanDerWaalsContact O-CG 3.27Å; Q171-Y175 PolarHBondContact O-N 3.27Å; Q171-E236 VanDerWaalsContact NE2-CD 3.3Å; Q171-E236 PolarHBondContact NE2-OE1 2.68Å; Q171-E236 PolarHBondContact NE2-OE2 2.76Å |
| 172 | W | 84.8 | Confident | 79.1 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 10% | 0.098 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54 | -49.9 | 175 | 178 | -96.8 | 0 | 0 | 0 | 111.8 | I167 T168 N174 Y175 Q176 Q225 A229 V256 | I167-W172 HydrophobicContact CG2-CB 4.24Å; T168-W172 PolarHBondContact O-N 3.25Å; W172-N174 PolarHBondContact O-N 3.28Å; W172-N174 VanDerWaalsContact O-N 3.14Å; W172-Y175 PolarHBondContact O-N 3.27Å; W172-Q176 VanDerWaalsContact O-CB 3.25Å; W172-Q176 WeakPolarHBondContact O-CB 3.22Å; W172-Q176 PolarHBondContact O-N 2.72Å; W172-Q225 HydrophobicContact CH2-CG 4.46Å; W172-A229 HydrophobicContact CE3-CB 3.86Å; W172-A229 HydrophobicContact CZ3-CB 3.66Å; W172-V256 HydrophobicContact CE3-CG2 4.05Å; W172-V256 HydrophobicContact CH2-CG2 3.39Å; W172-V256 HydrophobicContact CZ2-CG2 4.12Å; W172-V256 HydrophobicContact CZ3-CG2 3.34Å |
| 173 | T | 80.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -18.4 | 176.7 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | P169 Q170 Q171 R177 | P169-T173 WeakPolarHBondContact O-CB 3.34Å; P169-T173 PolarHBondContact O-N 2.71Å; P169-T173 PolarHBondContact O-OG1 2.73Å; Q170-T173 PolarHBondContact O-N 2.82Å; Q171-T173 PolarHBondContact O-N 3.38Å; T173-R177 PolarHBondContact O-NE 2.67Å; T173-R177 PolarHBondContact O-NH2 2.9Å; T173-R177 VanDerWaalsContact O-NH2 3.1Å |
| 174 | N | 88.4 | Confident | 84 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -90.7 | -46.5 | 176.8 | -146 | 43.9 | 0 | 0 | 0 | 111.7 | Q170 Q171 W172 R177 Q178 | Q170-N174 WeakPolarHBondContact O-CB 3.34Å; Q170-N174 PolarHBondContact O-N 3.31Å; Q170-N174 VanDerWaalsContact O-N 3.1Å; Q171-N174 CarbonylContact O-C 3.58Å; Q171-N174 WeakPolarHBondContact O-CA 3.11Å; Q171-N174 WeakPolarHBondContact O-CB 3.2Å; Q171-N174 PolarHBondContact O-N 3.22Å; W172-N174 PolarHBondContact O-N 3.28Å; W172-N174 VanDerWaalsContact O-N 3.14Å; N174-R177 PolarHBondContact O-N 2.68Å; N174-R177 VanDerWaalsContact OD1-CZ 3.31Å; N174-R177 PolarHBondContact OD1-NH1 3.32Å; N174-R177 PolarHBondContact OD1-NH2 3.16Å; N174-Q178 PolarHBondContact O-N 2.66Å; N174-Q178 VanDerWaalsContact O-N 3.12Å |
| 175 | Y | 93.2 | Very high | 84.8 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 175.7 | -54 | -24.1 | 0 | 0 | 0 | 111.2 | I167 Q171 W172 R177 Q178 F179 A229 M232 F233 E236 | I167-Y175 HydrophobicContact CD1-CE2 4.47Å; I167-Y175 HydrophobicContact CG2-CD2 3.96Å; I167-Y175 HydrophobicContact CG2-CE2 3.66Å; Q171-Y175 HydrophobicContact CB-CD2 4.48Å; Q171-Y175 HydrophobicContact CB-CE1 4.42Å; Q171-Y175 HydrophobicContact CB-CE2 3.9Å; Q171-Y175 PolarHBondContact NE2-OH 2.7Å; Q171-Y175 VanDerWaalsContact O-CG 3.27Å; Q171-Y175 PolarHBondContact O-N 3.27Å; W172-Y175 PolarHBondContact O-N 3.27Å; Y175-R177 VanDerWaalsContact C-N 3.29Å; Y175-R177 PolarHBondContact O-N 3.32Å; Y175-Q178 PolarHBondContact O-N 3.3Å; Y175-Q178 VanDerWaalsContact O-N 3.11Å; Y175-F179 WeakPolarHBondContact O-CB 2.92Å; Y175-F179 PolarHBondContact O-N 2.83Å; Y175-A229 HydrophobicContact CD2-CB 3.95Å; Y175-A229 WeakPolarHBondContact CD2-O 3.49Å; Y175-A229 WeakPolarHBondContact CE2-O 2.99Å; Y175-M232 HydrophobicContact CD1-CB 3.61Å; Y175-M232 HydrophobicContact CD1-CG 4.19Å; Y175-M232 HydrophobicContact CD2-CB 3.99Å; Y175-M232 HydrophobicContact CE1-CB 3.74Å; Y175-M232 HydrophobicContact CE2-CB 4.07Å; Y175-M232 HydrophobicContact CG-CB 3.77Å; Y175-M232 HydrophobicContact CG-CG 4.38Å; Y175-F233 HydrophobicContact CE2-CB 4.05Å; Y175-F233 HydrophobicContact CE2-CD2 4.41Å; Y175-E236 PolarHBondContact OH-OE2 2.79Å |
| 176 | Q | 87.2 | Confident | 84.9 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 35% | 0.346 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 174.2 | -175.1 | 172.3 | 19.2 | 0 | 0 | 112.5 | W172 V180 Q225 | W172-Q176 VanDerWaalsContact O-CB 3.25Å; W172-Q176 WeakPolarHBondContact O-CB 3.22Å; W172-Q176 PolarHBondContact O-N 2.72Å; Q176-V180 WeakPolarHBondContact O-CG2 3.42Å; Q176-V180 PolarHBondContact O-N 3.08Å; Q176-V180 VanDerWaalsContact O-N 3.12Å; Q176-Q225 VanDerWaalsContact CD-NE2 3.27Å |
| 177 | R | 88.9 | Confident | 85.1 | Confident | 147 Ų | 147 | 68 Ų | 68 | 56% | 0.555 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.9 | -37 | 173.4 | -84.4 | 178.7 | -74.3 | 128.6 | 2.8 | 112.5 | T173 N174 Y175 A181 | T173-R177 PolarHBondContact O-NE 2.67Å; T173-R177 PolarHBondContact O-NH2 2.9Å; T173-R177 VanDerWaalsContact O-NH2 3.1Å; N174-R177 PolarHBondContact O-N 2.68Å; N174-R177 VanDerWaalsContact OD1-CZ 3.31Å; N174-R177 PolarHBondContact OD1-NH1 3.32Å; N174-R177 PolarHBondContact OD1-NH2 3.16Å; Y175-R177 VanDerWaalsContact C-N 3.29Å; Y175-R177 PolarHBondContact O-N 3.32Å; R177-A181 WeakPolarHBondContact O-CB 2.93Å; R177-A181 PolarHBondContact O-N 3.22Å; R177-A181 VanDerWaalsContact O-N 3.1Å |
| 178 | Q | 91.2 | Very high | 85.3 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 25% | 0.252 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 174.8 | -68.9 | 171.4 | -5.2 | 0 | 0 | 111.7 | N174 Y175 A181 L182 F197 F228 | N174-Q178 PolarHBondContact O-N 2.66Å; N174-Q178 VanDerWaalsContact O-N 3.12Å; Y175-Q178 PolarHBondContact O-N 3.3Å; Y175-Q178 VanDerWaalsContact O-N 3.11Å; Q178-A181 PolarHBondContact O-N 2.9Å; Q178-L182 WeakPolarHBondContact O-CG 3.48Å; Q178-L182 PolarHBondContact O-N 3.13Å; Q178-F197 HydrophobicContact CB-CZ 4.21Å; Q178-F197 HydrophobicContact CG-CZ 4.29Å; Q178-F228 HydrophobicContact CB-CE1 3.91Å; Q178-F228 HydrophobicContact CB-CZ 4.07Å |
| 179 | F | 93.1 | Very high | 85.7 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 4% | 0.044 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.5 | -52.8 | 174.7 | -177.4 | -104.9 | 0 | 0 | 0 | 111.4 | Y175 A181 L182 P184 G187 L189 D224 Q225 F228 | Y175-F179 WeakPolarHBondContact O-CB 2.92Å; Y175-F179 PolarHBondContact O-N 2.83Å; F179-A181 VanDerWaalsContact C-N 3.3Å; F179-A181 PolarHBondContact O-N 2.8Å; F179-L182 PolarHBondContact O-N 3.23Å; F179-L182 VanDerWaalsContact O-N 3.15Å; F179-P184 HydrophobicContact CD1-CG 4.09Å; F179-P184 HydrophobicContact CE1-CB 3.98Å; F179-P184 HydrophobicContact CE1-CG 3.71Å; F179-P184 HydrophobicContact CE2-CB 4.32Å; F179-P184 HydrophobicContact CZ-CB 3.79Å; F179-P184 HydrophobicContact CZ-CG 4.06Å; F179-P184 WeakPolarHBondContact O-CD 3.3Å; F179-G187 WeakPolarHBondContact CZ-O 3.1Å; F179-L189 HydrophobicContact CD2-CD1 3.49Å; F179-L189 VanDerWaalsContact CD2-CD1 3.49Å; F179-L189 HydrophobicContact CD2-CG 4.04Å; F179-L189 HydrophobicContact CE2-CD1 3.72Å; F179-L189 HydrophobicContact CE2-CG 3.78Å; F179-L189 HydrophobicContact CG-CD1 4.48Å; F179-D224 WeakPolarHBondContact CE2-O 2.96Å; F179-Q225 HydrophobicContact CD1-CB 4.04Å; F179-Q225 HydrophobicContact CD1-CG 3.87Å; F179-Q225 HydrophobicContact CE1-CB 3.82Å; F179-Q225 HydrophobicContact CE1-CG 4.16Å; F179-Q225 HydrophobicContact CE2-CB 4.5Å; F179-Q225 HydrophobicContact CG-CB 4.47Å; F179-Q225 HydrophobicContact CG-CG 4.22Å; F179-Q225 HydrophobicContact CZ-CB 4.06Å; F179-F228 HydrophobicContact CB-CD1 3.74Å; F179-F228 HydrophobicContact CB-CE1 3.98Å; F179-F228 HydrophobicContact CB-CG 4.38Å; F179-F228 HydrophobicContact CD2-CB 3.63Å; F179-F228 AromaticContact CD2-CD1 3.92Å; F179-F228 HydrophobicContact CD2-CD1 3.92Å; F179-F228 HydrophobicContact CD2-CD2 4.32Å; F179-F228 AromaticContact CD2-CG 3.7Å; F179-F228 HydrophobicContact CD2-CG 3.7Å; F179-F228 HydrophobicContact CE2-CB 4.09Å; F179-F228 HydrophobicContact CG-CD1 4.31Å |
| 180 | V | 87.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 177 | 171.4 | 0 | 0 | 0 | 0 | 112 | Q176 L182 N183 | Q176-V180 WeakPolarHBondContact O-CG2 3.42Å; Q176-V180 PolarHBondContact O-N 3.08Å; Q176-V180 VanDerWaalsContact O-N 3.12Å; V180-L182 PolarHBondContact O-N 3.35Å; V180-N183 PolarHBondContact O-N 2.89Å |
| 181 | A | 88.3 | Confident | 86.9 | Confident | 72 Ų | 72 | 60 Ų | 60 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.4 | -17.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R177 Q178 F179 N183 | R177-A181 WeakPolarHBondContact O-CB 2.93Å; R177-A181 PolarHBondContact O-N 3.22Å; R177-A181 VanDerWaalsContact O-N 3.1Å; Q178-A181 PolarHBondContact O-N 2.9Å; F179-A181 VanDerWaalsContact C-N 3.3Å; F179-A181 PolarHBondContact O-N 2.8Å; A181-N183 VanDerWaalsContact C-N 3.33Å |
| 182 | L | 89.4 | Confident | 86.7 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.2 | 176.6 | -66.7 | 170.4 | 0 | 0 | 0 | 113.8 | Q178 F179 V180 L189 Q193 F197 F228 | Q178-L182 WeakPolarHBondContact O-CG 3.48Å; Q178-L182 PolarHBondContact O-N 3.13Å; F179-L182 PolarHBondContact O-N 3.23Å; F179-L182 VanDerWaalsContact O-N 3.15Å; V180-L182 PolarHBondContact O-N 3.35Å; L182-L189 HydrophobicContact CB-CD1 4.02Å; L182-L189 HydrophobicContact CB-CD2 3.55Å; L182-L189 HydrophobicContact CB-CG 4.47Å; L182-L189 HydrophobicContact CD1-CD1 3.78Å; L182-Q193 PolarHBondContact O-NE2 3.38Å; L182-F197 HydrophobicContact CD1-CB 4.14Å; L182-F197 HydrophobicContact CD1-CD1 3.86Å; L182-F197 HydrophobicContact CD1-CD2 4.35Å; L182-F197 HydrophobicContact CD1-CE1 4.33Å; L182-F197 HydrophobicContact CD1-CG 3.87Å; L182-F197 HydrophobicContact CD2-CB 3.84Å; L182-F197 HydrophobicContact CD2-CD2 3.91Å; L182-F197 HydrophobicContact CD2-CG 3.93Å; L182-F197 HydrophobicContact CG-CG 4.47Å; L182-F228 HydrophobicContact CD1-CE2 3.5Å; L182-F228 VanDerWaalsContact CD1-CE2 3.5Å; L182-F228 HydrophobicContact CD1-CZ 3.71Å |
| 183 | N | 85.8 | Confident | 86.7 | Confident | 128 Ų | 128 | 68.3 Ų | 68.3 | 68% | 0.684 | 38% | 0.381 | S | S | * | . | trans | 54.1 | 61.9 | 178.5 | -59.5 | -60.9 | 0 | 0 | 0 | 113.7 | V180 A181 V185 Q193 | V180-N183 PolarHBondContact O-N 2.89Å; A181-N183 VanDerWaalsContact C-N 3.33Å; N183-V185 PolarHBondContact O-N 3.02Å; N183-Q193 PolarHBondContact O-NE2 3.21Å | ||
| 184 | P | 86.8 | Confident | 87 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | trans | -62 | 129.9 | -178.5 | 25.4 | -34.1 | 0 | 0 | 0 | 112 | F179 L188 L189 | F179-P184 HydrophobicContact CD1-CG 4.09Å; F179-P184 HydrophobicContact CE1-CB 3.98Å; F179-P184 HydrophobicContact CE1-CG 3.71Å; F179-P184 HydrophobicContact CE2-CB 4.32Å; F179-P184 HydrophobicContact CZ-CB 3.79Å; F179-P184 HydrophobicContact CZ-CG 4.06Å; F179-P184 WeakPolarHBondContact O-CD 3.3Å; P184-L188 CarbonylContact C-O 3.58Å; P184-L188 VanDerWaalsContact CA-O 3.28Å; P184-L188 WeakPolarHBondContact CA-O 2.95Å; P184-L188 WeakPolarHBondContact CB-O 3.49Å; P184-L189 HydrophobicContact CB-CD2 3.87Å; P184-L189 HydrophobicContact CB-CG 4.07Å | ||
| 185 | V | 78.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 68 Ų | 68 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 121.5 | 179 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | N183 G187 L188 | N183-V185 PolarHBondContact O-N 3.02Å; V185-G187 PolarHBondContact O-N 3.13Å; V185-G187 VanDerWaalsContact O-N 3.13Å; V185-L188 PolarHBondContact N-O 3.47Å; V185-L188 PolarHBondContact O-N 3.19Å |
| 186 | N | 78.3 | Confident | 86.3 | Confident | 162 Ų | 162 | 70.2 Ų | 70.2 | 87% | 0.866 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 23.5 | -174.2 | -56.2 | -34 | 0 | 0 | 0 | 114.7 | ||
| 187 | G | 83.1 | Confident | 86.3 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 18 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F179 V185 | F179-G187 WeakPolarHBondContact CZ-O 3.1Å; V185-G187 PolarHBondContact O-N 3.13Å; V185-G187 VanDerWaalsContact O-N 3.13Å |
| 188 | L | 87.7 | Confident | 86.1 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 27% | 0.272 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 146.6 | 175.4 | -62.2 | 166.8 | 0 | 0 | 0 | 110.2 | P184 V185 K222 D224 | P184-L188 CarbonylContact C-O 3.58Å; P184-L188 VanDerWaalsContact CA-O 3.28Å; P184-L188 WeakPolarHBondContact CA-O 2.95Å; P184-L188 WeakPolarHBondContact CB-O 3.49Å; V185-L188 PolarHBondContact N-O 3.47Å; V185-L188 PolarHBondContact O-N 3.19Å; L188-K222 HydrophobicContact CB-CB 4.27Å; L188-K222 HydrophobicContact CB-CD 4.09Å; L188-K222 HydrophobicContact CD1-CD 3.99Å; L188-D224 HydrophobicContact CD2-CB 3.78Å |
| 189 | L | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.9 | 170 | -69.7 | 172 | 0 | 0 | 0 | 110.1 | F179 L182 P184 Q193 T194 K222 L223 F228 | F179-L189 HydrophobicContact CD2-CD1 3.49Å; F179-L189 VanDerWaalsContact CD2-CD1 3.49Å; F179-L189 HydrophobicContact CD2-CG 4.04Å; F179-L189 HydrophobicContact CE2-CD1 3.72Å; F179-L189 HydrophobicContact CE2-CG 3.78Å; F179-L189 HydrophobicContact CG-CD1 4.48Å; L182-L189 HydrophobicContact CB-CD1 4.02Å; L182-L189 HydrophobicContact CB-CD2 3.55Å; L182-L189 HydrophobicContact CB-CG 4.47Å; L182-L189 HydrophobicContact CD1-CD1 3.78Å; P184-L189 HydrophobicContact CB-CD2 3.87Å; P184-L189 HydrophobicContact CB-CG 4.07Å; L189-Q193 HydrophobicContact CD2-CB 4.3Å; L189-T194 WeakPolarHBondContact CB-OG1 3.04Å; L189-K222 CarbonylContact O-C 3.48Å; L189-K222 WeakPolarHBondContact O-CA 2.86Å; L189-K222 VanDerWaalsContact O-CB 3.28Å; L189-K222 WeakPolarHBondContact O-CB 3.17Å; L189-L223 PolarHBondContact N-O 3.14Å; L189-L223 PolarHBondContact O-N 2.86Å; L189-F228 HydrophobicContact CD1-CD2 3.58Å; L189-F228 HydrophobicContact CD1-CE2 3.88Å; L189-F228 HydrophobicContact CD1-CG 4.2Å |
| 190 | S | 89 | Confident | 85.5 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 159 | 174.8 | 80.4 | 0 | 0 | 0 | 0 | 112.1 | E192 Q193 T194 | S190-E192 PolarHBondContact O-N 3.46Å; S190-E192 VanDerWaalsContact O-N 3.17Å; S190-E192 PolarHBondContact OG-N 2.91Å; S190-Q193 PolarHBondContact O-N 3.37Å; S190-Q193 PolarHBondContact OG-N 3.23Å; S190-Q193 VanDerWaalsContact OG-N 3.15Å; S190-T194 PolarHBondContact O-N 3.33Å; S190-T194 PolarHBondContact O-OG1 3.37Å |
| 191 | G | 85.1 | Confident | 85.4 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -51.6 | -34.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K195 | G191-K195 WeakPolarHBondContact O-CB 3.25Å; G191-K195 PolarHBondContact O-N 2.91Å |
| 192 | E | 83.8 | Confident | 85.3 | Confident | 171 Ų | 171 | 65.4 Ų | 65.4 | 80% | 0.799 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -72.8 | -42.7 | 178 | -172.3 | 161.1 | -135.5 | 0 | 0 | 113.1 | S190 T194 | S190-E192 PolarHBondContact O-N 3.46Å; S190-E192 VanDerWaalsContact O-N 3.17Å; S190-E192 PolarHBondContact OG-N 2.91Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.95Å |
| 193 | Q | 84.8 | Confident | 85.2 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 173.8 | -69.1 | 177.2 | -90.1 | 0 | 0 | 111.6 | L182 N183 L189 S190 | L182-Q193 PolarHBondContact O-NE2 3.38Å; N183-Q193 PolarHBondContact O-NE2 3.21Å; L189-Q193 HydrophobicContact CD2-CB 4.3Å; S190-Q193 PolarHBondContact O-N 3.37Å; S190-Q193 PolarHBondContact OG-N 3.23Å; S190-Q193 VanDerWaalsContact OG-N 3.15Å |
| 194 | T | 85.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -82.7 | -29.7 | -172.7 | -37.2 | 0 | 0 | 0 | 0 | 112.5 | L189 S190 E192 G196 F197 L198 W212 L223 F228 | L189-T194 WeakPolarHBondContact CB-OG1 3.04Å; S190-T194 PolarHBondContact O-N 3.33Å; S190-T194 PolarHBondContact O-OG1 3.37Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.95Å; T194-G196 PolarHBondContact O-N 3.2Å; T194-F197 WeakPolarHBondContact O-CB 3.36Å; T194-F197 PolarHBondContact O-N 3.42Å; T194-F197 VanDerWaalsContact O-N 3.09Å; T194-L198 HydrophobicContact CG2-CD1 3.65Å; T194-L198 HydrophobicContact CG2-CG 3.95Å; T194-L198 PolarHBondContact O-N 3.48Å; T194-W212 HydrophobicContact CG2-CZ3 4.19Å; T194-L223 HydrophobicContact CG2-CD1 4.06Å; T194-F228 HydrophobicContact CG2-CD2 4.32Å; T194-F228 HydrophobicContact CG2-CE2 4.23Å |
| 195 | K | 85.1 | Confident | 85.3 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 59% | 0.591 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -54.9 | -44.9 | -178.2 | 171.3 | 178 | 178.9 | -176.3 | 0 | 113.2 | G191 F197 L199 | G191-K195 WeakPolarHBondContact O-CB 3.25Å; G191-K195 PolarHBondContact O-N 2.91Å; K195-F197 VanDerWaalsContact C-N 3.33Å; K195-F197 PolarHBondContact O-N 3.3Å; K195-L199 HydrophobicContact CG-CD1 3.81Å; K195-L199 WeakPolarHBondContact O-CB 3.33Å; K195-L199 WeakPolarHBondContact O-CD1 3.26Å; K195-L199 VanDerWaalsContact O-CG 3.24Å; K195-L199 WeakPolarHBondContact O-CG 2.89Å; K195-L199 PolarHBondContact O-N 2.89Å |
| 196 | G | 81.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 54% | 0.536 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T194 S200 | T194-G196 PolarHBondContact O-N 3.2Å; G196-S200 PolarHBondContact O-N 3.02Å |
| 197 | F | 88 | Confident | 86.2 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 25% | 0.25 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.1 | -46.9 | 177.9 | -173.9 | -106 | 0 | 0 | 0 | 112.2 | Q178 L182 T194 K195 L199 S200 F228 M232 | Q178-F197 HydrophobicContact CB-CZ 4.21Å; Q178-F197 HydrophobicContact CG-CZ 4.29Å; L182-F197 HydrophobicContact CD1-CB 4.14Å; L182-F197 HydrophobicContact CD1-CD1 3.86Å; L182-F197 HydrophobicContact CD1-CD2 4.35Å; L182-F197 HydrophobicContact CD1-CE1 4.33Å; L182-F197 HydrophobicContact CD1-CG 3.87Å; L182-F197 HydrophobicContact CD2-CB 3.84Å; L182-F197 HydrophobicContact CD2-CD2 3.91Å; L182-F197 HydrophobicContact CD2-CG 3.93Å; L182-F197 HydrophobicContact CG-CG 4.47Å; T194-F197 WeakPolarHBondContact O-CB 3.36Å; T194-F197 PolarHBondContact O-N 3.42Å; T194-F197 VanDerWaalsContact O-N 3.09Å; K195-F197 VanDerWaalsContact C-N 3.33Å; K195-F197 PolarHBondContact O-N 3.3Å; F197-L199 PolarHBondContact O-N 2.91Å; F197-S200 WeakPolarHBondContact O-CB 3.19Å; F197-S200 PolarHBondContact O-N 2.68Å; F197-S200 VanDerWaalsContact O-N 3.15Å; F197-S200 PolarHBondContact O-OG 3Å; F197-F228 HydrophobicContact CD1-CE2 4.16Å; F197-F228 HydrophobicContact CD1-CZ 4.15Å; F197-F228 HydrophobicContact CE1-CE2 4.16Å; F197-F228 AromaticContact CE1-CZ 3.71Å; F197-F228 HydrophobicContact CE1-CZ 3.71Å; F197-F228 HydrophobicContact CZ-CZ 4.48Å; F197-M232 HydrophobicContact CD1-SD 4.5Å; F197-M232 HydrophobicContact CE1-CE 4.39Å; F197-M232 HydrophobicContact CE1-SD 3.67Å |
| 198 | L | 85.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 178.8 | -76 | 168 | 0 | 0 | 0 | 112.5 | T194 S200 S201 L208 W212 L235 | T194-L198 HydrophobicContact CG2-CD1 3.65Å; T194-L198 HydrophobicContact CG2-CG 3.95Å; T194-L198 PolarHBondContact O-N 3.48Å; L198-S200 PolarHBondContact O-N 3.42Å; L198-S201 WeakPolarHBondContact O-CB 2.99Å; L198-S201 PolarHBondContact O-N 2.92Å; L198-S201 VanDerWaalsContact O-N 3.16Å; L198-S201 PolarHBondContact O-OG 2.97Å; L198-L208 HydrophobicContact CB-CD1 4.25Å; L198-L208 HydrophobicContact CB-CD2 4.12Å; L198-L208 HydrophobicContact CD2-CD2 4.33Å; L198-W212 HydrophobicContact CD1-CE3 4.12Å; L198-W212 HydrophobicContact CD1-CZ3 4.35Å; L198-L235 HydrophobicContact CD2-CD2 4.13Å |
| 199 | L | 87.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -28.3 | 174.9 | -74.7 | 168.3 | 0 | 0 | 0 | 113 | K195 F197 S201 G202 L208 | K195-L199 HydrophobicContact CG-CD1 3.81Å; K195-L199 WeakPolarHBondContact O-CB 3.33Å; K195-L199 WeakPolarHBondContact O-CD1 3.26Å; K195-L199 VanDerWaalsContact O-CG 3.24Å; K195-L199 WeakPolarHBondContact O-CG 2.89Å; K195-L199 PolarHBondContact O-N 2.89Å; F197-L199 PolarHBondContact O-N 2.91Å; L199-S201 PolarHBondContact O-N 2.96Å; L199-S201 VanDerWaalsContact O-N 3.15Å; L199-G202 PolarHBondContact O-N 3.38Å; L199-G202 VanDerWaalsContact O-N 3.16Å; L199-L208 HydrophobicContact CD2-CD1 3.9Å; L199-L208 HydrophobicContact CG-CD1 4.32Å |
| 200 | S | 84.6 | Confident | 86.7 | Confident | 96 Ų | 96 | 61 Ų | 61 | 67% | 0.671 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.9 | 175.8 | 82 | 0 | 0 | 0 | 0 | 113.8 | G196 F197 L198 G202 | G196-S200 PolarHBondContact O-N 3.02Å; F197-S200 WeakPolarHBondContact O-CB 3.19Å; F197-S200 PolarHBondContact O-N 2.68Å; F197-S200 VanDerWaalsContact O-N 3.15Å; F197-S200 PolarHBondContact O-OG 3Å; L198-S200 PolarHBondContact O-N 3.42Å; S200-G202 VanDerWaalsContact C-N 3.3Å; S200-G202 PolarHBondContact O-N 2.85Å |
| 201 | S | 84.8 | Confident | 86.9 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5.3 | 175.4 | 78.1 | 0 | 0 | 0 | 0 | 114.9 | L198 L199 Q203 H239 | L198-S201 WeakPolarHBondContact O-CB 2.99Å; L198-S201 PolarHBondContact O-N 2.92Å; L198-S201 VanDerWaalsContact O-N 3.16Å; L198-S201 PolarHBondContact O-OG 2.97Å; L199-S201 PolarHBondContact O-N 2.96Å; L199-S201 VanDerWaalsContact O-N 3.15Å; S201-Q203 PolarHBondContact O-N 3.32Å; S201-Q203 VanDerWaalsContact O-N 3.16Å; S201-H239 PolarHBondContact O-NE2 3.35Å |
| 202 | G | 85.4 | Confident | 87.2 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | trans | 69.5 | 6.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | L199 S200 | L199-G202 PolarHBondContact O-N 3.38Å; L199-G202 VanDerWaalsContact O-N 3.16Å; S200-G202 VanDerWaalsContact C-N 3.3Å; S200-G202 PolarHBondContact O-N 2.85Å | ||
| 203 | Q | 88.3 | Confident | 87.4 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | trans | -75.3 | 146.6 | 175 | -66.7 | -65 | -41.1 | 0 | 0 | 111.7 | S201 I207 L208 L235 H239 | S201-Q203 PolarHBondContact O-N 3.32Å; S201-Q203 VanDerWaalsContact O-N 3.16Å; Q203-I207 HydrophobicContact CB-CG2 4.19Å; Q203-L208 HydrophobicContact CB-CD2 3.82Å; Q203-L208 HydrophobicContact CB-CG 4.01Å; Q203-L235 HydrophobicContact CG-CD1 3.85Å; Q203-H239 PolarHBondContact NE2-CE1 2.77Å; Q203-H239 VanDerWaalsContact NE2-CE1 3.32Å; Q203-H239 PolarHBondContact NE2-NE2 3.48Å | ||
| 204 | P | 87.4 | Confident | 87.7 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | trans | -58.6 | 146.1 | 178.1 | -24.9 | 33.8 | 0 | 0 | 0 | 112.8 | A206 I207 L208 | P204-A206 PolarHBondContact O-N 2.91Å; P204-A206 VanDerWaalsContact O-N 3.1Å; P204-I207 HydrophobicContact CB-CG1 4.23Å; P204-I207 HydrophobicContact CG-CG1 4.19Å; P204-I207 WeakPolarHBondContact O-CA 3.49Å; P204-I207 WeakPolarHBondContact O-CB 2.94Å; P204-I207 PolarHBondContact O-N 2.9Å; P204-L208 PolarHBondContact O-N 2.88Å | ||
| 205 | P | 86.5 | Confident | 87.9 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -53.8 | -35.2 | -179.9 | -29.5 | 36.1 | 0 | 0 | 0 | 114.6 | L208 A209 | P205-L208 PolarHBondContact O-N 3.47Å; P205-A209 WeakPolarHBondContact O-CB 2.81Å; P205-A209 PolarHBondContact O-N 2.96Å |
| 206 | A | 86.5 | Confident | 88.2 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.3 | -34.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P204 Q210 | P204-A206 PolarHBondContact O-N 2.91Å; P204-A206 VanDerWaalsContact O-N 3.1Å; A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 PolarHBondContact O-N 2.94Å |
| 207 | I | 88.9 | Confident | 88.2 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.7 | -40.5 | 174.5 | -64.5 | -61 | 0 | 0 | 0 | 110.3 | Q203 P204 Q210 I211 K238 L244 | Q203-I207 HydrophobicContact CB-CG2 4.19Å; P204-I207 HydrophobicContact CB-CG1 4.23Å; P204-I207 HydrophobicContact CG-CG1 4.19Å; P204-I207 WeakPolarHBondContact O-CA 3.49Å; P204-I207 WeakPolarHBondContact O-CB 2.94Å; P204-I207 PolarHBondContact O-N 2.9Å; I207-Q210 PolarHBondContact O-N 2.95Å; I207-I211 HydrophobicContact CG2-CD1 4.14Å; I207-I211 WeakPolarHBondContact O-CG1 3.32Å; I207-I211 PolarHBondContact O-N 3.21Å; I207-K238 HydrophobicContact CG2-CD 4.26Å; I207-K238 HydrophobicContact CG2-CG 3.91Å; I207-L244 HydrophobicContact CG2-CD1 4.07Å |
| 208 | L | 91.7 | Very high | 87.9 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 175.6 | -66.3 | 178.7 | 0 | 0 | 0 | 112 | L198 L199 Q203 P204 P205 I211 W212 L235 | L198-L208 HydrophobicContact CB-CD1 4.25Å; L198-L208 HydrophobicContact CB-CD2 4.12Å; L198-L208 HydrophobicContact CD2-CD2 4.33Å; L199-L208 HydrophobicContact CD2-CD1 3.9Å; L199-L208 HydrophobicContact CG-CD1 4.32Å; Q203-L208 HydrophobicContact CB-CD2 3.82Å; Q203-L208 HydrophobicContact CB-CG 4.01Å; P204-L208 PolarHBondContact O-N 2.88Å; P205-L208 PolarHBondContact O-N 3.47Å; L208-I211 PolarHBondContact O-N 3.4Å; L208-W212 PolarHBondContact O-N 2.77Å; L208-L235 HydrophobicContact CD2-CD1 3.9Å |
| 209 | A | 89.7 | Confident | 87.7 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 40% | 0.397 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P205 W212 N213 | P205-A209 WeakPolarHBondContact O-CB 2.81Å; P205-A209 PolarHBondContact O-N 2.96Å; A209-W212 PolarHBondContact O-N 3.07Å; A209-N213 WeakPolarHBondContact O-CB 3.49Å; A209-N213 PolarHBondContact O-N 3.36Å; A209-N213 PolarHBondContact O-OD1 2.92Å |
| 210 | Q | 90.7 | Very high | 87.6 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 173.1 | -170.6 | -179.8 | 8.8 | 0 | 0 | 112 | A206 I207 L214 L244 | A206-Q210 WeakPolarHBondContact O-CB 3.43Å; A206-Q210 PolarHBondContact O-N 2.94Å; I207-Q210 PolarHBondContact O-N 2.95Å; Q210-L214 HydrophobicContact CG-CD1 4.2Å; Q210-L214 WeakPolarHBondContact O-CD1 3.26Å; Q210-L214 VanDerWaalsContact O-CG 3.26Å; Q210-L214 WeakPolarHBondContact O-CG 3.44Å; Q210-L214 PolarHBondContact O-N 2.69Å; Q210-L244 HydrophobicContact CB-CD1 4.22Å; Q210-L244 HydrophobicContact CG-CD1 4.08Å |
| 211 | I | 92.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.3 | -69.8 | 170.1 | 0 | 0 | 0 | 110.4 | I207 L208 L214 A215 A231 L234 L235 L244 | I207-I211 HydrophobicContact CG2-CD1 4.14Å; I207-I211 WeakPolarHBondContact O-CG1 3.32Å; I207-I211 PolarHBondContact O-N 3.21Å; L208-I211 PolarHBondContact O-N 3.4Å; I211-L214 PolarHBondContact O-N 2.76Å; I211-A215 VanDerWaalsContact O-CB 3.25Å; I211-A215 WeakPolarHBondContact O-CB 3.11Å; I211-A215 PolarHBondContact O-N 2.7Å; I211-A231 HydrophobicContact CG2-CB 4.15Å; I211-L234 HydrophobicContact CG1-CB 4.24Å; I211-L234 HydrophobicContact CG2-CB 4.05Å; I211-L234 HydrophobicContact CG2-CD1 4.35Å; I211-L235 HydrophobicContact CD1-CB 4.2Å; I211-L235 HydrophobicContact CD1-CD1 3.59Å; I211-L244 HydrophobicContact CD1-CD1 4.26Å; I211-L244 HydrophobicContact CD1-CD2 4.44Å; I211-L244 HydrophobicContact CG1-CD1 3.64Å; I211-L244 HydrophobicContact CG1-CD2 3.9Å; I211-L244 HydrophobicContact CG1-CG 4.44Å |
| 212 | W | 91.5 | Very high | 87.9 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 15% | 0.148 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -55 | 174.8 | -169.5 | -77.3 | 0 | 0 | 0 | 111.2 | T194 L198 L208 A209 L214 A215 D216 L223 | T194-W212 HydrophobicContact CG2-CZ3 4.19Å; L198-W212 HydrophobicContact CD1-CE3 4.12Å; L198-W212 HydrophobicContact CD1-CZ3 4.35Å; L208-W212 PolarHBondContact O-N 2.77Å; A209-W212 PolarHBondContact O-N 3.07Å; W212-L214 PolarHBondContact O-N 3.17Å; W212-A215 PolarHBondContact O-N 3.41Å; W212-D216 PolarHBondContact NE1-OD2 2.91Å; W212-D216 WeakPolarHBondContact O-CB 2.99Å; W212-D216 PolarHBondContact O-N 2.67Å; W212-L223 HydrophobicContact CE3-CD1 4.11Å; W212-L223 HydrophobicContact CH2-CD1 3.87Å; W212-L223 HydrophobicContact CH2-CD2 4.46Å; W212-L223 HydrophobicContact CH2-CG 3.68Å; W212-L223 HydrophobicContact CZ2-CD2 4.44Å; W212-L223 HydrophobicContact CZ2-CG 4.07Å; W212-L223 HydrophobicContact CZ3-CD1 3.58Å; W212-L223 HydrophobicContact CZ3-CG 3.92Å |
| 213 | N | 89.2 | Confident | 88.2 | Confident | 129 Ų | 129 | 55 Ų | 55 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.3 | -9 | -178.3 | -65.7 | -5.1 | 0 | 0 | 0 | 114.7 | A209 | A209-N213 WeakPolarHBondContact O-CB 3.49Å; A209-N213 PolarHBondContact O-N 3.36Å; A209-N213 PolarHBondContact O-OD1 2.92Å |
| 214 | L | 90.3 | Very high | 88.3 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -101.6 | -18.9 | 172.8 | -72.4 | 168.1 | 0 | 0 | 0 | 113 | Q210 I211 W212 L234 L244 P245 | Q210-L214 HydrophobicContact CG-CD1 4.2Å; Q210-L214 WeakPolarHBondContact O-CD1 3.26Å; Q210-L214 VanDerWaalsContact O-CG 3.26Å; Q210-L214 WeakPolarHBondContact O-CG 3.44Å; Q210-L214 PolarHBondContact O-N 2.69Å; I211-L214 PolarHBondContact O-N 2.76Å; W212-L214 PolarHBondContact O-N 3.17Å; L214-L234 HydrophobicContact CB-CD1 3.62Å; L214-L234 HydrophobicContact CD1-CD1 4.39Å; L214-L244 HydrophobicContact CD1-CB 4.26Å; L214-P245 VanDerWaalsContact CD1-O 3.31Å; L214-P245 WeakPolarHBondContact CD1-O 3.26Å |
| 215 | A | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -106.7 | -30.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I211 W212 V217 L223 E227 I230 A231 L234 | I211-A215 VanDerWaalsContact O-CB 3.25Å; I211-A215 WeakPolarHBondContact O-CB 3.11Å; I211-A215 PolarHBondContact O-N 2.7Å; W212-A215 PolarHBondContact O-N 3.41Å; A215-V217 PolarHBondContact O-N 2.67Å; A215-L223 HydrophobicContact CB-CD2 4.17Å; A215-E227 WeakPolarHBondContact O-CB 3.14Å; A215-E227 VanDerWaalsContact O-CG 3.22Å; A215-E227 WeakPolarHBondContact O-CG 3.09Å; A215-I230 HydrophobicContact CB-CB 4.42Å; A215-I230 HydrophobicContact CB-CG2 3.96Å; A215-A231 HydrophobicContact CB-CB 3.66Å; A215-L234 HydrophobicContact CB-CD1 4.36Å |
| 216 | D | 89.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | trans | -73.8 | 78.3 | 167.7 | -173.6 | -8.1 | 0 | 0 | 0 | 107.9 | W212 K219 D220 G221 L223 | W212-D216 PolarHBondContact NE1-OD2 2.91Å; W212-D216 WeakPolarHBondContact O-CB 2.99Å; W212-D216 PolarHBondContact O-N 2.67Å; D216-K219 WeakPolarHBondContact OD1-CA 2.89Å; D216-K219 PolarHBondContact OD1-N 3.39Å; D216-D220 PolarHBondContact OD1-N 3.48Å; D216-D220 VanDerWaalsContact OD1-N 3.13Å; D216-G221 PolarHBondContact OD2-N 2.68Å; D216-L223 HydrophobicContact CB-CD2 4.2Å | ||
| 217 | V | 83.2 | Confident | 88.8 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -77.2 | -32.8 | -175.3 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | A215 E227 I230 L248 L253 | A215-V217 PolarHBondContact O-N 2.67Å; V217-E227 PolarHBondContact N-OE1 2.65Å; V217-I230 HydrophobicContact CG2-CD1 4.5Å; V217-L248 HydrophobicContact CG2-CD2 3.65Å; V217-L253 HydrophobicContact CG1-CD2 4.24Å; V217-L253 HydrophobicContact CG2-CD2 4.23Å |
| 218 | T | 81.4 | Confident | 89.1 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -73.6 | -23.9 | 175.1 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | D220 E227 | T218-D220 VanDerWaalsContact C-N 3.27Å; T218-E227 WeakPolarHBondContact CB-OE1 3.26Å; T218-E227 WeakPolarHBondContact CG2-OE1 3.3Å; T218-E227 PolarHBondContact N-OE1 2.66Å; T218-E227 PolarHBondContact OG1-OE1 2.78Å |
| 219 | K | 82.3 | Confident | 89.1 | Confident | 183 Ų | 183 | 46.9 Ų | 46.9 | 80% | 0.796 | 25% | 0.253 | S | S | * | . | trans | 64.2 | 26.9 | -173.8 | -55.4 | 177.4 | -176.9 | 169.4 | 0 | 113.6 | D216 G221 | D216-K219 WeakPolarHBondContact OD1-CA 2.89Å; D216-K219 PolarHBondContact OD1-N 3.39Å; K219-G221 VanDerWaalsContact C-N 3.33Å | ||
| 220 | D | 84.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -87.4 | -1.6 | -175.7 | 101.7 | -34.7 | 0 | 0 | 0 | 113.5 | D216 T218 K222 | D216-D220 PolarHBondContact OD1-N 3.48Å; D216-D220 VanDerWaalsContact OD1-N 3.13Å; T218-D220 VanDerWaalsContact C-N 3.27Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact O-NZ 3.18Å; D220-K222 VanDerWaalsContact OD1-CA 3.32Å; D220-K222 WeakPolarHBondContact OD1-CA 3.33Å; D220-K222 WeakPolarHBondContact OD1-CB 3.41Å; D220-K222 PolarHBondContact OD1-N 2.91Å; D220-K222 IonicContact OD1-NZ 2.71Å; D220-K222 IonicContact OD2-NZ 3.45Å; D220-K222 PolarHBondContact OD2-NZ 3.23Å |
| 221 | G | 86 | Confident | 89.3 | Confident | 40 Ų | 40 | 41.1 Ų | 41.1 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 77.3 | 15.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D216 K219 | D216-G221 PolarHBondContact OD2-N 2.68Å; K219-G221 VanDerWaalsContact C-N 3.33Å |
| 222 | K | 90.2 | Very high | 89.3 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | -171.8 | 178.3 | -47.2 | 173 | -149.4 | 66.3 | 0 | 108.2 | L188 L189 D220 | L188-K222 HydrophobicContact CB-CB 4.27Å; L188-K222 HydrophobicContact CB-CD 4.09Å; L188-K222 HydrophobicContact CD1-CD 3.99Å; L189-K222 CarbonylContact O-C 3.48Å; L189-K222 WeakPolarHBondContact O-CA 2.86Å; L189-K222 VanDerWaalsContact O-CB 3.28Å; L189-K222 WeakPolarHBondContact O-CB 3.17Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact O-NZ 3.18Å; D220-K222 VanDerWaalsContact OD1-CA 3.32Å; D220-K222 WeakPolarHBondContact OD1-CA 3.33Å; D220-K222 WeakPolarHBondContact OD1-CB 3.41Å; D220-K222 PolarHBondContact OD1-N 2.91Å; D220-K222 IonicContact OD1-NZ 2.71Å; D220-K222 IonicContact OD2-NZ 3.45Å; D220-K222 PolarHBondContact OD2-NZ 3.23Å |
| 223 | L | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.2 | 171.2 | -61.4 | 169.5 | 0 | 0 | 0 | 109.4 | L189 T194 W212 A215 D216 E227 F228 A231 | L189-L223 PolarHBondContact N-O 3.14Å; L189-L223 PolarHBondContact O-N 2.86Å; T194-L223 HydrophobicContact CG2-CD1 4.06Å; W212-L223 HydrophobicContact CE3-CD1 4.11Å; W212-L223 HydrophobicContact CH2-CD1 3.87Å; W212-L223 HydrophobicContact CH2-CD2 4.46Å; W212-L223 HydrophobicContact CH2-CG 3.68Å; W212-L223 HydrophobicContact CZ2-CD2 4.44Å; W212-L223 HydrophobicContact CZ2-CG 4.07Å; W212-L223 HydrophobicContact CZ3-CD1 3.58Å; W212-L223 HydrophobicContact CZ3-CG 3.92Å; A215-L223 HydrophobicContact CB-CD2 4.17Å; D216-L223 HydrophobicContact CB-CD2 4.2Å; L223-E227 HydrophobicContact CB-CB 4.08Å; L223-E227 HydrophobicContact CD2-CB 3.78Å; L223-F228 HydrophobicContact CB-CB 4.29Å; L223-F228 HydrophobicContact CD1-CD2 4.46Å; L223-A231 HydrophobicContact CD1-CB 4.25Å |
| 224 | D | 91 | Very high | 89.5 | Confident | 51 Ų | 51 | 34.2 Ų | 34.2 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | trans | -76.4 | -175.1 | 164.7 | 93.6 | -5.6 | 0 | 0 | 0 | 112.5 | F179 L188 L226 E227 F228 | F179-D224 WeakPolarHBondContact CE2-O 2.96Å; L188-D224 HydrophobicContact CD2-CB 3.78Å; D224-L226 PolarHBondContact O-N 2.63Å; D224-L226 WeakPolarHBondContact OD1-CA 3.15Å; D224-L226 WeakPolarHBondContact OD1-CB 3.46Å; D224-L226 PolarHBondContact OD1-N 2.84Å; D224-E227 PolarHBondContact N-OE2 2.87Å; D224-E227 PolarHBondContact OD1-N 3.44Å; D224-F228 WeakPolarHBondContact O-CB 2.98Å; D224-F228 PolarHBondContact O-N 2.93Å | ||
| 225 | Q | 90.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.8 | -33.8 | -179.1 | -167.4 | -173.7 | -61.7 | 0 | 0 | 113.5 | W172 Q176 F179 A229 | W172-Q225 HydrophobicContact CH2-CG 4.46Å; Q176-Q225 VanDerWaalsContact CD-NE2 3.27Å; F179-Q225 HydrophobicContact CD1-CB 4.04Å; F179-Q225 HydrophobicContact CD1-CG 3.87Å; F179-Q225 HydrophobicContact CE1-CB 3.82Å; F179-Q225 HydrophobicContact CE1-CG 4.16Å; F179-Q225 HydrophobicContact CE2-CB 4.5Å; F179-Q225 HydrophobicContact CG-CB 4.47Å; F179-Q225 HydrophobicContact CG-CG 4.22Å; F179-Q225 HydrophobicContact CZ-CB 4.06Å; Q225-A229 VanDerWaalsContact O-CB 3.26Å; Q225-A229 WeakPolarHBondContact O-CB 3.35Å; Q225-A229 PolarHBondContact O-N 2.62Å; Q225-A229 VanDerWaalsContact O-N 3.15Å |
| 226 | L | 88.1 | Confident | 89.6 | Confident | 43 Ų | 43 | 36.6 Ų | 36.6 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.7 | -46.8 | 176 | 162 | 61.8 | 0 | 0 | 0 | 110.4 | D224 F228 A229 I230 V256 | D224-L226 PolarHBondContact O-N 2.63Å; D224-L226 WeakPolarHBondContact OD1-CA 3.15Å; D224-L226 WeakPolarHBondContact OD1-CB 3.46Å; D224-L226 PolarHBondContact OD1-N 2.84Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 3.2Å; L226-A229 CarbonylContact O-C 3.59Å; L226-A229 WeakPolarHBondContact O-CB 3.06Å; L226-A229 PolarHBondContact O-N 3.49Å; L226-A229 VanDerWaalsContact O-N 3.12Å; L226-I230 HydrophobicContact CD1-CD1 3.65Å; L226-I230 HydrophobicContact CD1-CG1 4.04Å; L226-I230 HydrophobicContact CG-CD1 3.91Å; L226-I230 WeakPolarHBondContact O-CG1 3.36Å; L226-I230 PolarHBondContact O-N 3.21Å; L226-V256 HydrophobicContact CD1-CG2 3.75Å |
| 227 | E | 92.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 178.1 | -66.9 | 179.3 | 133.6 | 0 | 0 | 111.1 | A215 V217 T218 L223 D224 A229 I230 A231 | A215-E227 WeakPolarHBondContact O-CB 3.14Å; A215-E227 VanDerWaalsContact O-CG 3.22Å; A215-E227 WeakPolarHBondContact O-CG 3.09Å; V217-E227 PolarHBondContact N-OE1 2.65Å; T218-E227 WeakPolarHBondContact CB-OE1 3.26Å; T218-E227 WeakPolarHBondContact CG2-OE1 3.3Å; T218-E227 PolarHBondContact N-OE1 2.66Å; T218-E227 PolarHBondContact OG1-OE1 2.78Å; L223-E227 HydrophobicContact CB-CB 4.08Å; L223-E227 HydrophobicContact CD2-CB 3.78Å; D224-E227 PolarHBondContact N-OE2 2.87Å; D224-E227 PolarHBondContact OD1-N 3.44Å; E227-A229 PolarHBondContact O-N 2.77Å; E227-I230 WeakPolarHBondContact O-CB 3.44Å; E227-I230 PolarHBondContact O-N 2.85Å; E227-A231 WeakPolarHBondContact O-CB 3.3Å; E227-A231 PolarHBondContact O-N 3.12Å |
| 228 | F | 93.9 | Very high | 90 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 171.6 | -178.5 | -92.1 | 0 | 0 | 0 | 112.7 | Q178 F179 L182 L189 T194 F197 L223 D224 L226 I230 A231 M232 | Q178-F228 HydrophobicContact CB-CE1 3.91Å; Q178-F228 HydrophobicContact CB-CZ 4.07Å; F179-F228 HydrophobicContact CB-CD1 3.74Å; F179-F228 HydrophobicContact CB-CE1 3.98Å; F179-F228 HydrophobicContact CB-CG 4.38Å; F179-F228 HydrophobicContact CD2-CB 3.63Å; F179-F228 AromaticContact CD2-CD1 3.92Å; F179-F228 HydrophobicContact CD2-CD1 3.92Å; F179-F228 HydrophobicContact CD2-CD2 4.32Å; F179-F228 AromaticContact CD2-CG 3.7Å; F179-F228 HydrophobicContact CD2-CG 3.7Å; F179-F228 HydrophobicContact CE2-CB 4.09Å; F179-F228 HydrophobicContact CG-CD1 4.31Å; L182-F228 HydrophobicContact CD1-CE2 3.5Å; L182-F228 VanDerWaalsContact CD1-CE2 3.5Å; L182-F228 HydrophobicContact CD1-CZ 3.71Å; L189-F228 HydrophobicContact CD1-CD2 3.58Å; L189-F228 HydrophobicContact CD1-CE2 3.88Å; L189-F228 HydrophobicContact CD1-CG 4.2Å; T194-F228 HydrophobicContact CG2-CD2 4.32Å; T194-F228 HydrophobicContact CG2-CE2 4.23Å; F197-F228 HydrophobicContact CD1-CE2 4.16Å; F197-F228 HydrophobicContact CD1-CZ 4.15Å; F197-F228 HydrophobicContact CE1-CE2 4.16Å; F197-F228 AromaticContact CE1-CZ 3.71Å; F197-F228 HydrophobicContact CE1-CZ 3.71Å; F197-F228 HydrophobicContact CZ-CZ 4.48Å; L223-F228 HydrophobicContact CB-CB 4.29Å; L223-F228 HydrophobicContact CD1-CD2 4.46Å; D224-F228 WeakPolarHBondContact O-CB 2.98Å; D224-F228 PolarHBondContact O-N 2.93Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 3.2Å; F228-I230 VanDerWaalsContact C-N 3.33Å; F228-I230 PolarHBondContact O-N 3.31Å; F228-A231 PolarHBondContact O-N 2.98Å; F228-M232 HydrophobicContact CD1-CG 4.09Å; F228-M232 HydrophobicContact CE1-CG 3.63Å; F228-M232 HydrophobicContact CE2-CG 4.41Å; F228-M232 HydrophobicContact CZ-CG 3.82Å; F228-M232 HydrophobicContact CZ-SD 4.19Å; F228-M232 WeakPolarHBondContact O-CB 2.96Å; F228-M232 WeakPolarHBondContact O-CG 3.4Å; F228-M232 PolarHBondContact O-N 3.35Å |
| 229 | A | 91.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I167 W172 Y175 Q225 L226 E227 F233 | I167-A229 HydrophobicContact CD1-CB 3.87Å; I167-A229 WeakPolarHBondContact CD1-O 3.1Å; W172-A229 HydrophobicContact CE3-CB 3.86Å; W172-A229 HydrophobicContact CZ3-CB 3.66Å; Y175-A229 HydrophobicContact CD2-CB 3.95Å; Y175-A229 WeakPolarHBondContact CD2-O 3.49Å; Y175-A229 WeakPolarHBondContact CE2-O 2.99Å; Q225-A229 VanDerWaalsContact O-CB 3.26Å; Q225-A229 WeakPolarHBondContact O-CB 3.35Å; Q225-A229 PolarHBondContact O-N 2.62Å; Q225-A229 VanDerWaalsContact O-N 3.15Å; L226-A229 CarbonylContact O-C 3.59Å; L226-A229 WeakPolarHBondContact O-CB 3.06Å; L226-A229 PolarHBondContact O-N 3.49Å; L226-A229 VanDerWaalsContact O-N 3.12Å; E227-A229 PolarHBondContact O-N 2.77Å; A229-F233 WeakPolarHBondContact O-CB 2.95Å; A229-F233 PolarHBondContact O-N 2.95Å |
| 230 | I | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -48.9 | 171.2 | -70.4 | 160.2 | 0 | 0 | 0 | 110.2 | A215 V217 L226 E227 F228 M232 F233 L234 L248 L252 L253 | A215-I230 HydrophobicContact CB-CB 4.42Å; A215-I230 HydrophobicContact CB-CG2 3.96Å; V217-I230 HydrophobicContact CG2-CD1 4.5Å; L226-I230 HydrophobicContact CD1-CD1 3.65Å; L226-I230 HydrophobicContact CD1-CG1 4.04Å; L226-I230 HydrophobicContact CG-CD1 3.91Å; L226-I230 WeakPolarHBondContact O-CG1 3.36Å; L226-I230 PolarHBondContact O-N 3.21Å; E227-I230 WeakPolarHBondContact O-CB 3.44Å; E227-I230 PolarHBondContact O-N 2.85Å; F228-I230 VanDerWaalsContact C-N 3.33Å; F228-I230 PolarHBondContact O-N 3.31Å; I230-M232 VanDerWaalsContact C-N 3.3Å; I230-M232 PolarHBondContact O-N 2.66Å; I230-F233 PolarHBondContact O-N 2.86Å; I230-F233 VanDerWaalsContact O-N 3.13Å; I230-L234 HydrophobicContact CG2-CD1 3.79Å; I230-L234 HydrophobicContact CG2-CG 4.21Å; I230-L234 WeakPolarHBondContact O-CB 3.12Å; I230-L234 WeakPolarHBondContact O-CG 2.88Å; I230-L234 PolarHBondContact O-N 3.34Å; I230-L248 HydrophobicContact CD1-CD2 4.05Å; I230-L248 HydrophobicContact CG2-CD1 3.59Å; I230-L248 HydrophobicContact CG2-CD2 4.28Å; I230-L252 HydrophobicContact CG1-CD2 4.41Å; I230-L253 HydrophobicContact CD1-CD2 4.48Å |
| 231 | A | 93.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.5 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I211 A215 L223 E227 F228 L234 L235 | I211-A231 HydrophobicContact CG2-CB 4.15Å; A215-A231 HydrophobicContact CB-CB 3.66Å; L223-A231 HydrophobicContact CD1-CB 4.25Å; E227-A231 WeakPolarHBondContact O-CB 3.3Å; E227-A231 PolarHBondContact O-N 3.12Å; F228-A231 PolarHBondContact O-N 2.98Å; A231-L234 PolarHBondContact O-N 3.1Å; A231-L235 VanDerWaalsContact O-CB 3.25Å; A231-L235 WeakPolarHBondContact O-CB 3.2Å; A231-L235 PolarHBondContact O-N 3.37Å |
| 232 | M | 93.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 11% | 0.108 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 176.8 | -73.6 | -51.7 | -54.4 | 0 | 0 | 113.3 | Y175 F197 F228 I230 L235 E236 | Y175-M232 HydrophobicContact CD1-CB 3.61Å; Y175-M232 HydrophobicContact CD1-CG 4.19Å; Y175-M232 HydrophobicContact CD2-CB 3.99Å; Y175-M232 HydrophobicContact CE1-CB 3.74Å; Y175-M232 HydrophobicContact CE2-CB 4.07Å; Y175-M232 HydrophobicContact CG-CB 3.77Å; Y175-M232 HydrophobicContact CG-CG 4.38Å; F197-M232 HydrophobicContact CD1-SD 4.5Å; F197-M232 HydrophobicContact CE1-CE 4.39Å; F197-M232 HydrophobicContact CE1-SD 3.67Å; F228-M232 HydrophobicContact CD1-CG 4.09Å; F228-M232 HydrophobicContact CE1-CG 3.63Å; F228-M232 HydrophobicContact CE2-CG 4.41Å; F228-M232 HydrophobicContact CZ-CG 3.82Å; F228-M232 HydrophobicContact CZ-SD 4.19Å; F228-M232 WeakPolarHBondContact O-CB 2.96Å; F228-M232 WeakPolarHBondContact O-CG 3.4Å; F228-M232 PolarHBondContact O-N 3.35Å; I230-M232 VanDerWaalsContact C-N 3.3Å; I230-M232 PolarHBondContact O-N 2.66Å; M232-L235 HydrophobicContact CE-CD2 4.06Å; M232-L235 PolarHBondContact O-N 3.09Å; M232-L235 HydrophobicContact SD-CD2 4.04Å; M232-E236 WeakPolarHBondContact O-CB 3.01Å; M232-E236 PolarHBondContact O-N 2.96Å |
| 233 | F | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -43.3 | 175.8 | -169 | -91.7 | 0 | 0 | 0 | 112.4 | E164 W165 F166 I167 Y175 A229 I230 L235 E236 K237 L252 | E164-F233 WeakPolarHBondContact O-CZ 3.3Å; W165-F233 HydrophobicContact CE3-CD1 4.31Å; W165-F233 AromaticContact CE3-CE1 3.86Å; W165-F233 HydrophobicContact CE3-CE1 3.86Å; W165-F233 HydrophobicContact CZ3-CE1 4.42Å; F166-F233 WeakPolarHBondContact O-CE2 3.13Å; F166-F233 WeakPolarHBondContact O-CZ 3.33Å; I167-F233 HydrophobicContact CB-CD2 4.29Å; I167-F233 HydrophobicContact CD1-CB 4.22Å; I167-F233 HydrophobicContact CG1-CB 4.03Å; I167-F233 HydrophobicContact CG1-CD2 3.79Å; I167-F233 HydrophobicContact CG1-CE2 4.42Å; I167-F233 HydrophobicContact CG1-CG 3.96Å; I167-F233 HydrophobicContact CG2-CD2 4.46Å; Y175-F233 HydrophobicContact CE2-CB 4.05Å; Y175-F233 HydrophobicContact CE2-CD2 4.41Å; A229-F233 WeakPolarHBondContact O-CB 2.95Å; A229-F233 PolarHBondContact O-N 2.95Å; I230-F233 PolarHBondContact O-N 2.86Å; I230-F233 VanDerWaalsContact O-N 3.13Å; F233-L235 VanDerWaalsContact C-N 3.27Å; F233-L235 PolarHBondContact O-N 3.27Å; F233-E236 PolarHBondContact O-N 2.89Å; F233-K237 HydrophobicContact CD1-CG 3.9Å; F233-K237 HydrophobicContact CE1-CD 4.12Å; F233-K237 HydrophobicContact CE1-CG 3.6Å; F233-K237 HydrophobicContact CZ-CD 4.29Å; F233-K237 HydrophobicContact CZ-CG 4.17Å; F233-K237 WeakPolarHBondContact O-CB 3.13Å; F233-K237 WeakPolarHBondContact O-CG 3.04Å; F233-K237 PolarHBondContact O-N 2.94Å; F233-L252 HydrophobicContact CB-CD2 4.26Å; F233-L252 HydrophobicContact CD1-CD1 4.08Å; F233-L252 HydrophobicContact CD1-CD2 3.71Å; F233-L252 HydrophobicContact CD1-CG 4.36Å; F233-L252 HydrophobicContact CE1-CD1 4.45Å; F233-L252 HydrophobicContact CE1-CD2 4.22Å; F233-L252 HydrophobicContact CG-CD2 4.02Å |
| 234 | L | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -40.4 | 173.3 | -70 | 171.3 | 0 | 0 | 0 | 111 | W165 I211 L214 A215 I230 A231 K238 L244 P245 L252 | W165-L234 HydrophobicContact CZ3-CD2 3.88Å; I211-L234 HydrophobicContact CG1-CB 4.24Å; I211-L234 HydrophobicContact CG2-CB 4.05Å; I211-L234 HydrophobicContact CG2-CD1 4.35Å; L214-L234 HydrophobicContact CB-CD1 3.62Å; L214-L234 HydrophobicContact CD1-CD1 4.39Å; A215-L234 HydrophobicContact CB-CD1 4.36Å; I230-L234 HydrophobicContact CG2-CD1 3.79Å; I230-L234 HydrophobicContact CG2-CG 4.21Å; I230-L234 WeakPolarHBondContact O-CB 3.12Å; I230-L234 WeakPolarHBondContact O-CG 2.88Å; I230-L234 PolarHBondContact O-N 3.34Å; A231-L234 PolarHBondContact O-N 3.1Å; L234-K238 VanDerWaalsContact O-CB 3.31Å; L234-K238 WeakPolarHBondContact O-CB 2.91Å; L234-K238 PolarHBondContact O-N 3.42Å; L234-L244 HydrophobicContact CB-CD2 3.99Å; L234-L244 HydrophobicContact CD2-CD2 4.13Å; L234-P245 HydrophobicContact CD2-CG 4.33Å; L234-L252 HydrophobicContact CD2-CD1 4.45Å |
| 235 | L | 92.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -41.1 | 176.3 | -167.4 | 68.9 | 0 | 0 | 0 | 112.3 | L198 Q203 L208 I211 A231 M232 F233 K238 H239 | L198-L235 HydrophobicContact CD2-CD2 4.13Å; Q203-L235 HydrophobicContact CG-CD1 3.85Å; L208-L235 HydrophobicContact CD2-CD1 3.9Å; I211-L235 HydrophobicContact CD1-CB 4.2Å; I211-L235 HydrophobicContact CD1-CD1 3.59Å; A231-L235 VanDerWaalsContact O-CB 3.25Å; A231-L235 WeakPolarHBondContact O-CB 3.2Å; A231-L235 PolarHBondContact O-N 3.37Å; M232-L235 HydrophobicContact CE-CD2 4.06Å; M232-L235 PolarHBondContact O-N 3.09Å; M232-L235 HydrophobicContact SD-CD2 4.04Å; F233-L235 VanDerWaalsContact C-N 3.27Å; F233-L235 PolarHBondContact O-N 3.27Å; L235-K238 PolarHBondContact O-N 3.44Å; L235-H239 PolarHBondContact O-N 2.67Å; L235-H239 PolarHBondContact O-ND1 3.05Å |
| 236 | E | 90.4 | Very high | 88.8 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.4 | -160.2 | -164.7 | 112.1 | 0 | 0 | 111.2 | Q171 Y175 M232 F233 K238 H239 Q240 | Q171-E236 VanDerWaalsContact NE2-CD 3.3Å; Q171-E236 PolarHBondContact NE2-OE1 2.68Å; Q171-E236 PolarHBondContact NE2-OE2 2.76Å; Y175-E236 PolarHBondContact OH-OE2 2.79Å; M232-E236 WeakPolarHBondContact O-CB 3.01Å; M232-E236 PolarHBondContact O-N 2.96Å; F233-E236 PolarHBondContact O-N 2.89Å; E236-K238 VanDerWaalsContact C-N 3.32Å; E236-K238 PolarHBondContact O-N 2.75Å; E236-H239 PolarHBondContact O-N 2.7Å; E236-H239 VanDerWaalsContact O-N 3.16Å; E236-Q240 WeakPolarHBondContact O-CG 3.17Å; E236-Q240 PolarHBondContact O-N 3.47Å; E236-Q240 PolarHBondContact OE1-NE2 2.8Å |
| 237 | K | 89.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 175.5 | -69 | -70.7 | 158.5 | -162 | 0 | 112 | E164 W165 F233 H239 Q240 G241 V242 | E164-K237 WeakPolarHBondContact O-CE 3.19Å; E164-K237 PolarHBondContact O-NZ 3.09Å; W165-K237 HydrophobicContact CE3-CG 4.34Å; W165-K237 HydrophobicContact CH2-CB 4.05Å; W165-K237 HydrophobicContact CH2-CG 4.27Å; W165-K237 HydrophobicContact CZ3-CB 4.03Å; W165-K237 HydrophobicContact CZ3-CG 3.9Å; F233-K237 HydrophobicContact CD1-CG 3.9Å; F233-K237 HydrophobicContact CE1-CD 4.12Å; F233-K237 HydrophobicContact CE1-CG 3.6Å; F233-K237 HydrophobicContact CZ-CD 4.29Å; F233-K237 HydrophobicContact CZ-CG 4.17Å; F233-K237 WeakPolarHBondContact O-CB 3.13Å; F233-K237 WeakPolarHBondContact O-CG 3.04Å; F233-K237 PolarHBondContact O-N 2.94Å; K237-H239 PolarHBondContact O-N 2.68Å; K237-Q240 CarbonylContact O-C 3.41Å; K237-Q240 WeakPolarHBondContact O-CB 3.25Å; K237-Q240 PolarHBondContact O-N 2.85Å; K237-G241 PolarHBondContact O-N 2.68Å; K237-V242 HydrophobicContact CB-CB 4.23Å; K237-V242 HydrophobicContact CB-CG2 4.48Å; K237-V242 HydrophobicContact CD-CG2 4.31Å; K237-V242 VanDerWaalsContact O-CB 3.29Å; K237-V242 WeakPolarHBondContact O-CB 3.42Å; K237-V242 WeakPolarHBondContact O-CG2 3.02Å; K237-V242 PolarHBondContact O-N 2.71Å |
| 238 | K | 91.1 | Very high | 87.8 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 174.1 | -176.3 | 58.3 | 177.9 | 178.2 | 0 | 112.6 | I207 L234 L235 E236 G241 L244 | I207-K238 HydrophobicContact CG2-CD 4.26Å; I207-K238 HydrophobicContact CG2-CG 3.91Å; L234-K238 VanDerWaalsContact O-CB 3.31Å; L234-K238 WeakPolarHBondContact O-CB 2.91Å; L234-K238 PolarHBondContact O-N 3.42Å; L235-K238 PolarHBondContact O-N 3.44Å; E236-K238 VanDerWaalsContact C-N 3.32Å; E236-K238 PolarHBondContact O-N 2.75Å; K238-G241 PolarHBondContact O-N 2.67Å; K238-L244 HydrophobicContact CB-CD2 4.38Å; K238-L244 HydrophobicContact CD-CG 4.32Å |
| 239 | H | 88.4 | Confident | 87 | Confident | 103 Ų | 103 | 44.9 Ų | 44.9 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.2 | -31.1 | 171.7 | -76.8 | 89.6 | 0 | 0 | 0 | 113.1 | S201 Q203 L235 E236 K237 G241 | S201-H239 PolarHBondContact O-NE2 3.35Å; Q203-H239 PolarHBondContact NE2-CE1 2.77Å; Q203-H239 VanDerWaalsContact NE2-CE1 3.32Å; Q203-H239 PolarHBondContact NE2-NE2 3.48Å; L235-H239 PolarHBondContact O-N 2.67Å; L235-H239 PolarHBondContact O-ND1 3.05Å; E236-H239 PolarHBondContact O-N 2.7Å; E236-H239 VanDerWaalsContact O-N 3.16Å; K237-H239 PolarHBondContact O-N 2.68Å; H239-G241 PolarHBondContact O-N 2.92Å; H239-G241 VanDerWaalsContact O-N 3.14Å |
| 240 | Q | 86.6 | Confident | 85.8 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 6.6 | 170.1 | -68 | 164.8 | 13.7 | 0 | 0 | 113.1 | E236 K237 V242 | E236-Q240 WeakPolarHBondContact O-CG 3.17Å; E236-Q240 PolarHBondContact O-N 3.47Å; E236-Q240 PolarHBondContact OE1-NE2 2.8Å; K237-Q240 CarbonylContact O-C 3.41Å; K237-Q240 WeakPolarHBondContact O-CB 3.25Å; K237-Q240 PolarHBondContact O-N 2.85Å; Q240-V242 HydrophobicContact CB-CG2 4.17Å; Q240-V242 PolarHBondContact O-N 2.76Å |
| 241 | G | 83.9 | Confident | 84.8 | Confident | 68 Ų | 68 | 54 Ų | 54 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 3.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K237 K238 H239 | K237-G241 PolarHBondContact O-N 2.68Å; K238-G241 PolarHBondContact O-N 2.67Å; H239-G241 PolarHBondContact O-N 2.92Å; H239-G241 VanDerWaalsContact O-N 3.14Å |
| 242 | V | 83.8 | Confident | 84.1 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 138.5 | -180 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | W165 K237 Q240 | W165-V242 HydrophobicContact CH2-CG1 4.1Å; W165-V242 HydrophobicContact CZ2-CG1 3.64Å; K237-V242 HydrophobicContact CB-CB 4.23Å; K237-V242 HydrophobicContact CB-CG2 4.48Å; K237-V242 HydrophobicContact CD-CG2 4.31Å; K237-V242 VanDerWaalsContact O-CB 3.29Å; K237-V242 WeakPolarHBondContact O-CB 3.42Å; K237-V242 WeakPolarHBondContact O-CG2 3.02Å; K237-V242 PolarHBondContact O-N 2.71Å; Q240-V242 HydrophobicContact CB-CG2 4.17Å; Q240-V242 PolarHBondContact O-N 2.76Å |
| 243 | A | 83.3 | Confident | 82.9 | Confident | 78 Ų | 78 | 55.5 Ų | 55.5 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 139.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 244 | L | 85.8 | Confident | 81.3 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 136.4 | 171.9 | -70 | 170.1 | 0 | 0 | 0 | 109.3 | I207 Q210 I211 L214 L234 K238 | I207-L244 HydrophobicContact CG2-CD1 4.07Å; Q210-L244 HydrophobicContact CB-CD1 4.22Å; Q210-L244 HydrophobicContact CG-CD1 4.08Å; I211-L244 HydrophobicContact CD1-CD1 4.26Å; I211-L244 HydrophobicContact CD1-CD2 4.44Å; I211-L244 HydrophobicContact CG1-CD1 3.64Å; I211-L244 HydrophobicContact CG1-CD2 3.9Å; I211-L244 HydrophobicContact CG1-CG 4.44Å; L214-L244 HydrophobicContact CD1-CB 4.26Å; L234-L244 HydrophobicContact CB-CD2 3.99Å; L234-L244 HydrophobicContact CD2-CD2 4.13Å; K238-L244 HydrophobicContact CB-CD2 4.38Å; K238-L244 HydrophobicContact CD-CG 4.32Å |
| 245 | P | 82.5 | Confident | 79.6 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 155.7 | 178.3 | 32.9 | -36.1 | 0 | 0 | 0 | 110.4 | W165 L214 L234 L247 P249 | W165-P245 HydrophobicContact CH2-CG 4.4Å; L214-P245 VanDerWaalsContact CD1-O 3.31Å; L214-P245 WeakPolarHBondContact CD1-O 3.26Å; L234-P245 HydrophobicContact CD2-CG 4.33Å; P245-L247 VanDerWaalsContact C-N 3.33Å; P245-L247 WeakPolarHBondContact CB-O 2.81Å; P245-P249 HydrophobicContact CB-CG 4.36Å; P245-P249 HydrophobicContact CG-CG 4.18Å |
| 246 | T | 77.5 | Confident | 77.3 | Confident | 130 Ų | 130 | 59.2 Ų | 59.2 | 80% | 0.798 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -79.3 | -16.5 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 247 | L | 78.5 | Confident | 74.9 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 74% | 0.738 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -142.5 | 145.6 | 174.8 | -67.5 | 171.8 | 0 | 0 | 0 | 107.9 | P245 P249 | P245-L247 VanDerWaalsContact C-N 3.33Å; P245-L247 WeakPolarHBondContact CB-O 2.81Å; L247-P249 WeakPolarHBondContact O-CD 2.93Å |
| 248 | L | 81.6 | Confident | 72.4 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | trans | -65.3 | 124.2 | -178.6 | -175.1 | 68.2 | 0 | 0 | 0 | 111.2 | V217 I230 L252 L253 | V217-L248 HydrophobicContact CG2-CD2 3.65Å; I230-L248 HydrophobicContact CD1-CD2 4.05Å; I230-L248 HydrophobicContact CG2-CD1 3.59Å; I230-L248 HydrophobicContact CG2-CD2 4.28Å; L248-L252 HydrophobicContact CD1-CB 4.21Å; L248-L252 HydrophobicContact CD1-CD1 3.85Å; L248-L253 HydrophobicContact CD2-CD1 4.24Å; L248-L253 HydrophobicContact CD2-CD2 3.73Å; L248-L253 HydrophobicContact CD2-CG 3.76Å; L248-L253 HydrophobicContact CG-CG 4.48Å | ||
| 249 | P | 77.9 | Confident | 69.8 | Low | 32 Ų | 32 | 69.5 Ų | 69.5 | 21% | 0.208 | 40% | 0.396 | C | S | . | . | trans | -64.3 | 134.7 | 179 | -24.4 | 34.8 | 0 | 0 | 0 | 113 | W165 P245 L247 S251 L252 | W165-P249 HydrophobicContact CB-CB 4.47Å; W165-P249 HydrophobicContact CD2-CG 4.38Å; W165-P249 HydrophobicContact CG-CG 4.39Å; P245-P249 HydrophobicContact CB-CG 4.36Å; P245-P249 HydrophobicContact CG-CG 4.18Å; L247-P249 WeakPolarHBondContact O-CD 2.93Å; P249-S251 PolarHBondContact O-N 2.94Å; P249-L252 WeakPolarHBondContact O-CB 3.21Å; P249-L252 PolarHBondContact O-N 3.31Å | ||
| 250 | Q | 66.5 | Low | 66.9 | Low | 141 Ų | 141 | 70.3 Ų | 70.3 | 66% | 0.659 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -56.7 | -26.1 | -178.8 | -133.2 | 73.4 | 18.5 | 0 | 0 | 114.2 | L252 L253 T254 | Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 2.99Å; Q250-L253 PolarHBondContact O-N 2.79Å; Q250-T254 WeakPolarHBondContact O-CB 2.87Å; Q250-T254 PolarHBondContact O-N 2.86Å; Q250-T254 PolarHBondContact O-OG1 2.92Å |
| 251 | S | 69.5 | Low | 64.1 | Low | 53 Ų | 53 | 74.5 Ų | 74.5 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -34.2 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | W165 P249 T254 T255 | W165-S251 VanDerWaalsContact O-CB 3.29Å; W165-S251 WeakPolarHBondContact O-CB 3.04Å; W165-S251 PolarHBondContact O-OG 3.3Å; P249-S251 PolarHBondContact O-N 2.94Å; S251-T254 PolarHBondContact O-N 3.1Å; S251-T255 PolarHBondContact O-N 2.83Å; S251-T255 PolarHBondContact O-OG1 3.06Å |
| 252 | L | 77.8 | Confident | 61.3 | Low | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.2 | -48.5 | 174.9 | -93.4 | 163.1 | 0 | 0 | 0 | 110.8 | W165 I167 I230 F233 L234 L248 P249 Q250 T254 T255 | W165-L252 HydrophobicContact CE3-CD1 3.92Å; I167-L252 HydrophobicContact CD1-CD2 3.99Å; I167-L252 HydrophobicContact CG1-CD2 3.63Å; I230-L252 HydrophobicContact CG1-CD2 4.41Å; F233-L252 HydrophobicContact CB-CD2 4.26Å; F233-L252 HydrophobicContact CD1-CD1 4.08Å; F233-L252 HydrophobicContact CD1-CD2 3.71Å; F233-L252 HydrophobicContact CD1-CG 4.36Å; F233-L252 HydrophobicContact CE1-CD1 4.45Å; F233-L252 HydrophobicContact CE1-CD2 4.22Å; F233-L252 HydrophobicContact CG-CD2 4.02Å; L234-L252 HydrophobicContact CD2-CD1 4.45Å; L248-L252 HydrophobicContact CD1-CB 4.21Å; L248-L252 HydrophobicContact CD1-CD1 3.85Å; P249-L252 WeakPolarHBondContact O-CB 3.21Å; P249-L252 PolarHBondContact O-N 3.31Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 2.99Å; L252-T254 VanDerWaalsContact C-N 3.28Å; L252-T254 PolarHBondContact O-N 2.96Å; L252-T255 VanDerWaalsContact O-CB 3.31Å; L252-T255 WeakPolarHBondContact O-CB 3.26Å; L252-T255 PolarHBondContact O-N 3.37Å; L252-T255 VanDerWaalsContact O-N 3.12Å; L252-T255 PolarHBondContact O-OG1 3.11Å |
| 253 | L | 69.5 | Low | 58.5 | Low | 56 Ų | 56 | 82.3 Ų | 82.3 | 29% | 0.293 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 174.5 | -68.4 | 167.3 | 0 | 0 | 0 | 112.5 | V217 I230 L248 Q250 T255 | V217-L253 HydrophobicContact CG1-CD2 4.24Å; V217-L253 HydrophobicContact CG2-CD2 4.23Å; I230-L253 HydrophobicContact CD1-CD2 4.48Å; L248-L253 HydrophobicContact CD2-CD1 4.24Å; L248-L253 HydrophobicContact CD2-CD2 3.73Å; L248-L253 HydrophobicContact CD2-CG 3.76Å; L248-L253 HydrophobicContact CG-CG 4.48Å; Q250-L253 PolarHBondContact O-N 2.79Å; L253-T255 VanDerWaalsContact C-N 3.27Å; L253-T255 PolarHBondContact O-N 3.4Å |
| 254 | T | 57.6 | Low | 55.8 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.3 | -18.2 | 179.9 | -50.6 | 0 | 0 | 0 | 0 | 112.9 | Q250 S251 L252 V256 Q257 | Q250-T254 WeakPolarHBondContact O-CB 2.87Å; Q250-T254 PolarHBondContact O-N 2.86Å; Q250-T254 PolarHBondContact O-OG1 2.92Å; S251-T254 PolarHBondContact O-N 3.1Å; L252-T254 VanDerWaalsContact C-N 3.28Å; L252-T254 PolarHBondContact O-N 2.96Å; T254-V256 VanDerWaalsContact C-N 3.27Å; T254-V256 PolarHBondContact O-N 3.25Å; T254-V256 VanDerWaalsContact O-N 3.13Å; T254-Q257 PolarHBondContact O-N 3.21Å; T254-Q257 VanDerWaalsContact O-N 3.08Å |
| 255 | T | 57.1 | Low | 53 | Low | 10 Ų | 10 | 97.5 Ų | 97.5 | 6% | 0.061 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.3 | -168 | -64.6 | 0 | 0 | 0 | 0 | 114.1 | I167 S251 L252 L253 N259 | I167-T255 HydrophobicContact CB-CG2 3.76Å; I167-T255 HydrophobicContact CG1-CG2 4.31Å; I167-T255 WeakPolarHBondContact O-CG2 3.22Å; S251-T255 PolarHBondContact O-N 2.83Å; S251-T255 PolarHBondContact O-OG1 3.06Å; L252-T255 VanDerWaalsContact O-CB 3.31Å; L252-T255 WeakPolarHBondContact O-CB 3.26Å; L252-T255 PolarHBondContact O-N 3.37Å; L252-T255 VanDerWaalsContact O-N 3.12Å; L252-T255 PolarHBondContact O-OG1 3.11Å; L253-T255 VanDerWaalsContact C-N 3.27Å; L253-T255 PolarHBondContact O-N 3.4Å; T255-N259 PolarHBondContact O-ND2 3.15Å |
| 256 | V | 45.2 | Very low | 50.3 | Low | 22 Ų | 22 | 103.2 Ų | 103.2 | 13% | 0.133 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -26 | 177.5 | 172 | 0 | 0 | 0 | 0 | 113 | W172 L226 T254 M258 N259 N260 | W172-V256 HydrophobicContact CE3-CG2 4.05Å; W172-V256 HydrophobicContact CH2-CG2 3.39Å; W172-V256 HydrophobicContact CZ2-CG2 4.12Å; W172-V256 HydrophobicContact CZ3-CG2 3.34Å; L226-V256 HydrophobicContact CD1-CG2 3.75Å; T254-V256 VanDerWaalsContact C-N 3.27Å; T254-V256 PolarHBondContact O-N 3.25Å; T254-V256 VanDerWaalsContact O-N 3.13Å; V256-M258 PolarHBondContact O-N 3.2Å; V256-N259 PolarHBondContact O-N 2.77Å; V256-N260 WeakPolarHBondContact CG1-ND2 3.33Å; V256-N260 PolarHBondContact O-N 2.97Å |
| 257 | Q | 38.8 | Very low | 48 | Very low | 144 Ų | 144 | 105.1 Ų | 105.1 | 67% | 0.673 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.8 | 175.6 | -66.8 | -173.6 | -20.4 | 0 | 0 | 112.6 | T254 | T254-Q257 PolarHBondContact O-N 3.21Å; T254-Q257 VanDerWaalsContact O-N 3.08Å |
| 258 | M | 38.2 | Very low | 45.6 | Very low | 150 Ų | 150 | 103.5 Ų | 103.5 | 74% | 0.739 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -22.9 | 173.8 | -68.6 | -75.9 | 176.5 | 0 | 0 | 113.8 | V256 | V256-M258 PolarHBondContact O-N 3.2Š|
| 259 | N | 35 | Very low | 42.9 | Very low | 55 Ų | 55 | 112.6 Ų | 112.6 | 29% | 0.294 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105 | -18.3 | -170.5 | -77.9 | -55.7 | 0 | 0 | 0 | 114.6 | T255 V256 | T255-N259 PolarHBondContact O-ND2 3.15Å; V256-N259 PolarHBondContact O-N 2.77Å |
| 260 | N | 29.4 | Very low | 40.4 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -85.2 | -0.9 | 178.1 | -87.5 | -1.5 | 0 | 0 | 0 | 114.8 | V256 | V256-N260 WeakPolarHBondContact CG1-ND2 3.33Å; V256-N260 PolarHBondContact O-N 2.97Å |
| 261 | Y | 26.2 | Very low | 38.4 | Very low | 187 Ų | 187 | 113.7 Ų | 113.7 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -93.7 | 122.9 | 167.7 | -75.8 | -83.5 | 0 | 0 | 0 | 110.4 | N263 | Y261-N263 PolarHBondContact O-N 2.63Å; Y261-N263 VanDerWaalsContact O-N 3.1Å |
| 262 | P | 26.2 | Very low | 36.5 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | trans | -68 | 111.8 | 178 | 26.8 | -33.1 | 0 | 0 | 0 | 110.4 | R264 | P262-R264 PolarHBondContact O-N 2.63Š| ||
| 263 | N | 24.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 86% | 0.861 | 65% | 0.649 | S | S | * | * | trans | -43 | 110.3 | -178.1 | -88.7 | -58.9 | 0 | 0 | 0 | 113.6 | Y261 | Y261-N263 PolarHBondContact O-N 2.63Å; Y261-N263 VanDerWaalsContact O-N 3.1Å | ||
| 264 | R | 25.5 | Very low | 32 | Very low | 235 Ų | 235 | 123.8 Ų | 123.8 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | trans | -143.1 | 148.6 | 159.3 | -75.1 | -162.2 | 173.3 | -140.8 | -2.6 | 110.3 | P262 | P262-R264 PolarHBondContact O-N 2.63Š| ||
| 265 | L | 27.3 | Very low | 30.7 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 94% | 0.942 | 69% | 0.687 | S | S | * | * | trans | 70.7 | 64.4 | 174.4 | -53.9 | 177.6 | 0 | 0 | 0 | 115.9 | ||||
| 266 | N | 25.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -136.8 | 152.7 | 132.8 | -151.9 | -10.3 | 0 | 0 | 0 | 109.9 | ||||
| 267 | H | 28.9 | Very low | 28.5 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | trans | 67.8 | 160.9 | -179.7 | -89.8 | -72.1 | 0 | 0 | 0 | 117.6 | ||||
| 268 | P | 28.8 | Very low | 28 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | -131.4 | -156.8 | -123.7 | 44.9 | -27.4 | 0 | 0 | 0 | 114.6 | A270 | P268-A270 PolarHBondContact O-N 3.41Š| |||
| 269 | Y | 24.6 | Very low | 27.7 | Very low | 220 Ų | 220 | 136.3 Ų | 136.3 | 86% | 0.863 | 76% | 0.758 | S | S | * | * | trans | -27.9 | 112.3 | 166.7 | -90 | -107.6 | 0 | 0 | 0 | 115.4 | ||||
| 270 | A | 25.5 | Very low | 27.5 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 173.9 | 134.1 | 124.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P268 | P268-A270 PolarHBondContact O-N 3.41Š| |||
| 271 | A | 26 | Very low | 27.6 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 18.9 | 133.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 272 | A | 27.9 | Very low | 27.6 | Very low | 94 Ų | 94 | 139 Ų | 139 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | 85 | 108.8 | 128.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 273 | S | 27.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 83.3 | 122.4 | 115.9 | -155.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 274 | C | 24.9 | Very low | 27.9 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 64.2 | 163.5 | 152 | -67.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 275 | A | 30.8 | Very low | 28 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 61% | 0.612 | 79% | 0.79 | S | S | * | * | cis | -167.7 | 168.6 | -30.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 276 | D | 28.6 | Very low | 27.9 | Very low | 165 Ų | 165 | 132 Ų | 132 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 63.1 | 153.2 | 169.2 | -50.8 | -40.4 | 0 | 0 | 0 | 117.8 | ||||
| 277 | G | 28 | Very low | 27.9 | Very low | 61 Ų | 61 | 132.8 Ų | 132.8 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 169.2 | 174.7 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 278 | W | 27.6 | Very low | 27.9 | Very low | 248 Ų | 248 | 130.1 Ų | 130.1 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | 84 | 147.2 | 164.5 | -66.3 | 81.3 | 0 | 0 | 0 | 120.3 | ||||
| 279 | P | 33.2 | Very low | 27.8 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | -147.7 | -179.1 | -127.9 | 45.9 | -26.7 | 0 | 0 | 0 | 119.4 | |||||
| 280 | L | 29.9 | Very low | 27.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 61.1 | 121.3 | 146.8 | -112.7 | 81.2 | 0 | 0 | 0 | 121.9 | K282 | L280-K282 HydrophobicContact CD2-CG 4.43Š| ||
| 281 | A | 32.5 | Very low | 27.9 | Very low | 104 Ų | 104 | 127 Ų | 127 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -139.3 | 151.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 282 | K | 25.5 | Very low | 28 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -118.2 | 140.3 | -173.6 | -62.4 | 177 | -177.6 | 175.2 | 0 | 112.1 | L280 | L280-K282 HydrophobicContact CD2-CG 4.43Š| ||
| 283 | T | 29.7 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | -144.4 | 144.2 | 148.1 | -62.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 284 | T | 26.6 | Very low | 27.7 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -114.5 | 146.6 | -164.8 | -44.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 285 | L | 27.4 | Very low | 27.9 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -177.8 | 164.2 | 142.6 | -93.1 | 160.2 | 0 | 0 | 0 | 108.1 | ||||
| 286 | P | 27.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | -102.9 | 155.8 | -129.2 | 37.4 | -38.5 | 0 | 0 | 0 | 117.5 | |||||
| 287 | Q | 24.9 | Very low | 27.8 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -85.7 | 147 | 158.9 | -65.9 | 177.7 | -20.8 | 0 | 0 | 111.3 | V289 | Q287-V289 HydrophobicContact CB-CG2 4.49Š| ||
| 288 | P | 29.1 | Very low | 28 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -93.1 | 103.1 | 148.4 | 32.7 | -24.9 | 0 | 0 | 0 | 109.7 | I290 | P288-I290 PolarHBondContact O-N 2.71Š| ||
| 289 | V | 26.3 | Very low | 28.2 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | -75.2 | 119.2 | 166.6 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | Q287 | Q287-V289 HydrophobicContact CB-CG2 4.49Š| ||
| 290 | I | 26.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 137 Ų | 137 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | -123.2 | 124.2 | 171.3 | -59 | -178.3 | 0 | 0 | 0 | 107.9 | P288 | P288-I290 PolarHBondContact O-N 2.71Š| ||
| 291 | P | 25.6 | Very low | 28.5 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -78.7 | 144.3 | -173.3 | 31 | -35.1 | 0 | 0 | 0 | 112.4 | K293 | P291-K293 PolarHBondContact O-N 2.71Š| ||
| 292 | F | 26.8 | Very low | 28.6 | Very low | 229 Ų | 229 | 134.6 Ų | 134.6 | 100% | 1.004 | 73% | 0.73 | S | S | * | * | trans | -67.7 | 81.5 | 163.4 | -95 | -93.6 | 0 | 0 | 0 | 110.5 | ||||
| 293 | K | 26.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -92.7 | 124.5 | 157.3 | -86.6 | -169.9 | 172.2 | -175.7 | 0 | 108.6 | P291 P295 | P291-K293 PolarHBondContact O-N 2.71Å; K293-P295 VanDerWaalsContact O-CD 3.32Å; K293-P295 WeakPolarHBondContact O-CD 3.45Å | ||
| 294 | Q | 25.1 | Very low | 29.5 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 91% | 0.907 | 70% | 0.696 | S | S | * | * | trans | -59.9 | 123.8 | 174.6 | -65.8 | 168.2 | -39.2 | 0 | 0 | 110.7 | ||||
| 295 | P | 28.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | -92.7 | 106.2 | 164 | 33 | -24.3 | 0 | 0 | 0 | 109 | K293 S297 | K293-P295 VanDerWaalsContact O-CD 3.32Å; K293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-S297 VanDerWaalsContact C-N 3.28Å; P295-S297 PolarHBondContact O-N 3.33Å | ||
| 296 | S | 26.4 | Very low | 31.2 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -67.9 | 84.6 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 297 | S | 30.1 | Very low | 32 | Very low | 70 Ų | 70 | 114 Ų | 114 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | trans | -79.6 | 132.2 | -176.6 | -173 | 0 | 0 | 0 | 0 | 111.5 | P295 Y299 | P295-S297 VanDerWaalsContact C-N 3.28Å; P295-S297 PolarHBondContact O-N 3.33Å; S297-Y299 PolarHBondContact O-N 3.44Å | ||
| 298 | P | 33.1 | Very low | 33.1 | Very low | 77 Ų | 77 | 109 Ų | 109 | 50% | 0.5 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -9 | -172.8 | 28.7 | -36 | 0 | 0 | 0 | 115.1 | T300 V301 Q302 | P298-T300 VanDerWaalsContact C-N 3.31Å; P298-T300 PolarHBondContact O-N 2.69Å; P298-V301 WeakPolarHBondContact O-CB 3.28Å; P298-V301 PolarHBondContact O-N 3.49Å; P298-Q302 PolarHBondContact O-N 2.71Å; P298-Q302 VanDerWaalsContact O-N 3.11Å |
| 299 | Y | 31.4 | Very low | 34.4 | Very low | 165 Ų | 165 | 107.3 Ų | 107.3 | 65% | 0.647 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -54.1 | -40.7 | -174.5 | -90.5 | -95.6 | 0 | 0 | 0 | 113.9 | S297 V301 Q302 V303 | S297-Y299 PolarHBondContact O-N 3.44Å; Y299-V301 PolarHBondContact O-N 2.69Å; Y299-Q302 PolarHBondContact O-N 2.87Å; Y299-Q302 VanDerWaalsContact O-N 3.15Å; Y299-V303 WeakPolarHBondContact O-CG2 3.4Å; Y299-V303 PolarHBondContact O-N 3.06Å |
| 300 | T | 34.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 103 Ų | 103 | 74% | 0.736 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -25.6 | 180 | -36.9 | 0 | 0 | 0 | 0 | 112.7 | P298 | P298-T300 VanDerWaalsContact C-N 3.31Å; P298-T300 PolarHBondContact O-N 2.69Å |
| 301 | V | 34.9 | Very low | 37 | Very low | 110 Ų | 110 | 100 Ų | 100 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -83.1 | -36.8 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | P298 Y299 A304 S305 | P298-V301 WeakPolarHBondContact O-CB 3.28Å; P298-V301 PolarHBondContact O-N 3.49Å; Y299-V301 PolarHBondContact O-N 2.69Å; V301-A304 PolarHBondContact O-N 2.81Å; V301-S305 PolarHBondContact O-N 2.83Å |
| 302 | Q | 35.8 | Very low | 38.7 | Very low | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.3 | -40.9 | 176.7 | -67.5 | 179 | -86.3 | 0 | 0 | 112.4 | P298 Y299 A304 S305 H306 | P298-Q302 PolarHBondContact O-N 2.71Å; P298-Q302 VanDerWaalsContact O-N 3.11Å; Y299-Q302 PolarHBondContact O-N 2.87Å; Y299-Q302 VanDerWaalsContact O-N 3.15Å; Q302-A304 VanDerWaalsContact C-N 3.31Å; Q302-A304 PolarHBondContact O-N 3.07Å; Q302-S305 PolarHBondContact O-N 3Å; Q302-S305 PolarHBondContact O-OG 2.94Å; Q302-S305 VanDerWaalsContact O-OG 3.09Å; Q302-H306 WeakPolarHBondContact O-CB 3.29Å; Q302-H306 PolarHBondContact O-N 2.8Å |
| 303 | V | 37.7 | Very low | 40.9 | Very low | 70 Ų | 70 | 89.9 Ų | 89.9 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | Y299 H306 L307 | Y299-V303 WeakPolarHBondContact O-CG2 3.4Å; Y299-V303 PolarHBondContact O-N 3.06Å; V303-H306 PolarHBondContact O-N 3.46Å; V303-L307 HydrophobicContact CG1-CD1 3.8Å; V303-L307 VanDerWaalsContact O-CD1 3.24Å; V303-L307 WeakPolarHBondContact O-CD1 3.27Å; V303-L307 PolarHBondContact O-N 2.83Å |
| 304 | A | 35.6 | Very low | 43.3 | Very low | 62 Ų | 62 | 85.1 Ų | 85.1 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V301 Q302 A308 | V301-A304 PolarHBondContact O-N 2.81Å; Q302-A304 VanDerWaalsContact C-N 3.31Å; Q302-A304 PolarHBondContact O-N 3.07Å; A304-A308 WeakPolarHBondContact O-CB 2.92Å; A304-A308 PolarHBondContact O-N 2.9Å; A304-A308 VanDerWaalsContact O-N 3.1Å |
| 305 | S | 41.3 | Very low | 45.8 | Very low | 51 Ų | 51 | 79.6 Ų | 79.6 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74 | -28.3 | 176.6 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | V301 Q302 R309 | V301-S305 PolarHBondContact O-N 2.83Å; Q302-S305 PolarHBondContact O-N 3Å; Q302-S305 PolarHBondContact O-OG 2.94Å; Q302-S305 VanDerWaalsContact O-OG 3.09Å; S305-R309 PolarHBondContact O-N 2.87Å |
| 306 | H | 49.6 | Very low | 48.4 | Very low | 21 Ų | 21 | 79.8 Ų | 79.8 | 10% | 0.097 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -72.3 | -40.8 | 174.9 | -152.6 | -75.1 | 0 | 0 | 0 | 111.7 | Q302 V303 A308 R309 Q310 S380 | Q302-H306 WeakPolarHBondContact O-CB 3.29Å; Q302-H306 PolarHBondContact O-N 2.8Å; V303-H306 PolarHBondContact O-N 3.46Å; H306-A308 VanDerWaalsContact C-N 3.35Å; H306-R309 PolarHBondContact O-N 2.88Å; H306-Q310 PolarHBondContact O-N 3Å; H306-S380 PolarHBondContact NE2-OG 3.02Å |
| 307 | L | 43.1 | Very low | 51.4 | Low | 80 Ų | 80 | 74.2 Ų | 74.2 | 42% | 0.419 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 170.9 | -91.7 | 81.8 | 0 | 0 | 0 | 112 | V303 Q310 A311 L395 | V303-L307 HydrophobicContact CG1-CD1 3.8Å; V303-L307 VanDerWaalsContact O-CD1 3.24Å; V303-L307 WeakPolarHBondContact O-CD1 3.27Å; V303-L307 PolarHBondContact O-N 2.83Å; L307-Q310 PolarHBondContact O-N 3Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 3.19Å; L307-L395 HydrophobicContact CD2-CD1 4.19Å; L307-L395 HydrophobicContact CG-CD1 4.32Å |
| 308 | A | 47.3 | Very low | 53.9 | Low | 61 Ų | 61 | 73 Ų | 73 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A304 H306 A311 A312 | A304-A308 WeakPolarHBondContact O-CB 2.92Å; A304-A308 PolarHBondContact O-N 2.9Å; A304-A308 VanDerWaalsContact O-N 3.1Å; H306-A308 VanDerWaalsContact C-N 3.35Å; A308-A311 PolarHBondContact O-N 3.01Å; A308-A312 PolarHBondContact O-N 2.97Å |
| 309 | R | 56.5 | Low | 56.2 | Low | 79 Ų | 79 | 76.6 Ų | 76.6 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 173 | -87.6 | -178.2 | -73.6 | -177.9 | -1.3 | 112.4 | S305 H306 A311 A312 S313 D383 E385 | S305-R309 PolarHBondContact O-N 2.87Å; H306-R309 PolarHBondContact O-N 2.88Å; R309-A311 PolarHBondContact O-N 3.13Å; R309-A312 PolarHBondContact O-N 2.87Å; R309-S313 PolarHBondContact O-N 2.98Å; R309-D383 IonicContact NH1-OD2 2.69Å; R309-D383 PolarHBondContact NH1-OD2 2.98Å; R309-E385 IonicContact CZ-OE1 3.19Å; R309-E385 IonicContact NH1-OE1 3.98Å; R309-E385 PolarHBondContact NH1-OE1 3.3Å; R309-E385 IonicContact NH2-OE1 3.29Å; R309-E385 PolarHBondContact NH2-OE1 2.98Å; R309-E385 IonicContact NH2-OE2 2.77Å |
| 310 | Q | 55 | Low | 58.8 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 174.4 | -81.6 | -173.4 | -16.1 | 0 | 0 | 112 | H306 L307 A312 S313 K314 S376 | H306-Q310 PolarHBondContact O-N 3Å; L307-Q310 PolarHBondContact O-N 3Å; Q310-A312 VanDerWaalsContact C-N 3.32Å; Q310-A312 PolarHBondContact O-N 2.75Å; Q310-S313 PolarHBondContact O-N 2.67Å; Q310-K314 VanDerWaalsContact O-CB 3.31Å; Q310-K314 WeakPolarHBondContact O-CB 3.11Å; Q310-K314 PolarHBondContact O-N 2.64Å; Q310-S376 PolarHBondContact NE2-OG 3.06Å |
| 311 | A | 53.2 | Low | 61.2 | Low | 79 Ų | 79 | 66.1 Ų | 66.1 | 65% | 0.653 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.7 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L307 A308 R309 | L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 3.19Å; A308-A311 PolarHBondContact O-N 3.01Å; R309-A311 PolarHBondContact O-N 3.13Å |
| 312 | A | 61.9 | Low | 63.3 | Low | 83 Ų | 83 | 65.1 Ų | 65.1 | 69% | 0.686 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.4 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A308 R309 Q310 | A308-A312 PolarHBondContact O-N 2.97Å; R309-A312 PolarHBondContact O-N 2.87Å; Q310-A312 VanDerWaalsContact C-N 3.32Å; Q310-A312 PolarHBondContact O-N 2.75Å |
| 313 | S | 73.3 | Confident | 65.3 | Low | 31 Ų | 31 | 64.2 Ų | 64.2 | 22% | 0.217 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -88.1 | -13 | -174.5 | -65.5 | 0 | 0 | 0 | 0 | 115.1 | R309 Q310 A315 K316 Y317 | R309-S313 PolarHBondContact O-N 2.98Å; Q310-S313 PolarHBondContact O-N 2.67Å; S313-A315 VanDerWaalsContact C-N 3.26Å; S313-A315 PolarHBondContact O-N 2.8Å; S313-A315 VanDerWaalsContact O-N 3.14Å; S313-K316 WeakPolarHBondContact O-CB 3.4Å; S313-K316 PolarHBondContact O-N 3.28Å; S313-Y317 VanDerWaalsContact CB-CE2 3.48Å; S313-Y317 WeakPolarHBondContact CB-OH 3.15Å; S313-Y317 PolarHBondContact O-N 2.85Å; S313-Y317 VanDerWaalsContact O-N 3.08Å |
| 314 | K | 75.9 | Confident | 67 | Low | 83 Ų | 83 | 62.8 Ų | 62.8 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -52.6 | -41.1 | -175 | -169.6 | 166.6 | -174.3 | 171.7 | 0 | 113 | Q310 K316 Y317 T318 E369 | Q310-K314 VanDerWaalsContact O-CB 3.31Å; Q310-K314 WeakPolarHBondContact O-CB 3.11Å; Q310-K314 PolarHBondContact O-N 2.64Å; K314-K316 PolarHBondContact O-N 2.76Å; K314-Y317 PolarHBondContact O-N 3.46Å; K314-T318 WeakPolarHBondContact O-CB 3.01Å; K314-T318 PolarHBondContact O-N 2.86Å; K314-T318 PolarHBondContact O-OG1 2.72Å; K314-E369 IonicContact NZ-OE1 2.72Å; K314-E369 PolarHBondContact NZ-OE1 2.83Å |
| 315 | A | 76.7 | Confident | 68.6 | Low | 78 Ų | 78 | 60.4 Ų | 60.4 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S313 Q319 | S313-A315 VanDerWaalsContact C-N 3.26Å; S313-A315 PolarHBondContact O-N 2.8Å; S313-A315 VanDerWaalsContact O-N 3.14Å; A315-Q319 WeakPolarHBondContact O-CB 3.07Å; A315-Q319 PolarHBondContact O-N 2.74Å |
| 316 | K | 84.2 | Confident | 69.5 | Low | 119 Ų | 119 | 67.5 Ų | 67.5 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.6 | 178.2 | -168.2 | 173.5 | -163.8 | 0 | 111.3 | S313 K314 Q319 M320 | S313-K316 WeakPolarHBondContact O-CB 3.4Å; S313-K316 PolarHBondContact O-N 3.28Å; K314-K316 PolarHBondContact O-N 2.76Å; K316-Q319 PolarHBondContact O-N 2.7Å; K316-M320 HydrophobicContact CG-CE 4.37Å; K316-M320 PolarHBondContact O-N 2.7Å; K316-M320 VanDerWaalsContact O-N 3.12Å |
| 317 | Y | 89.7 | Confident | 70 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 3% | 0.027 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.2 | -41.8 | 178.8 | -56.3 | -20.4 | 0 | 0 | 0 | 112 | S313 K314 Q319 M320 F321 F371 C372 M375 D379 | S313-Y317 VanDerWaalsContact CB-CE2 3.48Å; S313-Y317 WeakPolarHBondContact CB-OH 3.15Å; S313-Y317 PolarHBondContact O-N 2.85Å; S313-Y317 VanDerWaalsContact O-N 3.08Å; K314-Y317 PolarHBondContact O-N 3.46Å; Y317-Q319 VanDerWaalsContact C-N 3.31Å; Y317-Q319 PolarHBondContact O-N 3.32Å; Y317-M320 HydrophobicContact CD1-CE 3.8Å; Y317-M320 HydrophobicContact CE1-CE 4.49Å; Y317-M320 PolarHBondContact O-N 2.73Å; Y317-F321 PolarHBondContact O-N 2.69Å; Y317-F371 WeakPolarHBondContact O-CE1 3.35Å; Y317-C372 VanDerWaalsContact CB-SG 3.57Å; Y317-C372 HydrophobicContact CD2-CB 4.22Å; Y317-M375 HydrophobicContact CD1-CB 3.65Å; Y317-M375 HydrophobicContact CD1-CE 4.33Å; Y317-M375 HydrophobicContact CD1-CG 4.09Å; Y317-M375 HydrophobicContact CD2-CB 3.6Å; Y317-M375 HydrophobicContact CE1-CB 3.86Å; Y317-M375 HydrophobicContact CE1-CE 4.11Å; Y317-M375 HydrophobicContact CE2-CB 3.8Å; Y317-M375 HydrophobicContact CG-CB 3.53Å; Y317-M375 HydrophobicContact CG-CG 4.13Å; Y317-D379 PolarHBondContact OH-OD2 2.88Å; Y317-D379 VanDerWaalsContact OH-OD2 3.06Å |
| 318 | T | 82.6 | Confident | 70.9 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 27% | 0.27 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 171.9 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | K314 F321 C322 | K314-T318 WeakPolarHBondContact O-CB 3.01Å; K314-T318 PolarHBondContact O-N 2.86Å; K314-T318 PolarHBondContact O-OG1 2.72Å; T318-F321 WeakPolarHBondContact O-CB 3.05Å; T318-F321 PolarHBondContact O-N 3.47Å; T318-C322 WeakPolarHBondContact O-CB 2.82Å; T318-C322 PolarHBondContact O-N 2.82Å; T318-C322 PolarHBondContact O-SG 3.25Å |
| 319 | Q | 81.4 | Confident | 71.8 | Confident | 153 Ų | 153 | 75.3 Ų | 75.3 | 72% | 0.715 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.6 | -40 | 175.7 | -170.6 | 177.3 | 5.6 | 0 | 0 | 112 | A315 K316 Y317 G323 | A315-Q319 WeakPolarHBondContact O-CB 3.07Å; A315-Q319 PolarHBondContact O-N 2.74Å; K316-Q319 PolarHBondContact O-N 2.7Å; Y317-Q319 VanDerWaalsContact C-N 3.31Å; Y317-Q319 PolarHBondContact O-N 3.32Å; Q319-G323 PolarHBondContact O-N 3.11Å |
| 320 | M | 84.1 | Confident | 72.8 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 27% | 0.266 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 170.9 | -81.4 | -173 | -71.5 | 0 | 0 | 111.6 | K316 Y317 C322 G323 L324 F371 M375 | K316-M320 HydrophobicContact CG-CE 4.37Å; K316-M320 PolarHBondContact O-N 2.7Å; K316-M320 VanDerWaalsContact O-N 3.12Å; Y317-M320 HydrophobicContact CD1-CE 3.8Å; Y317-M320 HydrophobicContact CE1-CE 4.49Å; Y317-M320 PolarHBondContact O-N 2.73Å; M320-C322 VanDerWaalsContact C-N 3.34Å; M320-C322 PolarHBondContact O-N 3.44Å; M320-G323 PolarHBondContact O-N 2.87Å; M320-L324 WeakPolarHBondContact O-CD1 3.45Å; M320-L324 WeakPolarHBondContact O-CG 3.22Å; M320-L324 PolarHBondContact O-N 2.9Å; M320-F371 HydrophobicContact CB-CE1 3.91Å; M320-F371 HydrophobicContact CB-CZ 4.21Å; M320-M375 HydrophobicContact CE-CE 4.11Å; M320-M375 HydrophobicContact CE-SD 4.35Å |
| 321 | F | 86 | Confident | 74.2 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 4% | 0.044 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -54.6 | -47.7 | 176.9 | -177 | -94.5 | 0 | 0 | 0 | 112.5 | Y317 T318 G323 L324 S325 G330 L332 L366 C368 F371 | Y317-F321 PolarHBondContact O-N 2.69Å; T318-F321 WeakPolarHBondContact O-CB 3.05Å; T318-F321 PolarHBondContact O-N 3.47Å; F321-G323 PolarHBondContact O-N 2.9Å; F321-L324 PolarHBondContact O-N 3.12Å; F321-S325 PolarHBondContact O-N 3.27Å; F321-G330 WeakPolarHBondContact CZ-O 2.77Å; F321-L332 HydrophobicContact CD2-CD1 3.56Å; F321-L332 HydrophobicContact CD2-CG 4Å; F321-L332 HydrophobicContact CE2-CB 4.28Å; F321-L332 HydrophobicContact CE2-CD1 3.78Å; F321-L332 HydrophobicContact CE2-CG 3.71Å; F321-L366 WeakPolarHBondContact CE2-O 3.35Å; F321-C368 HydrophobicContact CD1-CB 3.61Å; F321-C368 HydrophobicContact CD2-CB 4.39Å; F321-C368 HydrophobicContact CE1-CB 3.63Å; F321-C368 HydrophobicContact CE2-CB 4.4Å; F321-C368 HydrophobicContact CG-CB 4.01Å; F321-C368 HydrophobicContact CZ-CB 4.04Å; F321-F371 HydrophobicContact CB-CD1 3.76Å; F321-F371 HydrophobicContact CB-CE1 4.18Å; F321-F371 HydrophobicContact CB-CG 4.35Å; F321-F371 HydrophobicContact CD2-CB 3.61Å; F321-F371 HydrophobicContact CD2-CD1 4.08Å; F321-F371 HydrophobicContact CD2-CD2 4.42Å; F321-F371 AromaticContact CD2-CG 3.79Å; F321-F371 HydrophobicContact CD2-CG 3.79Å; F321-F371 HydrophobicContact CE2-CB 4.21Å; F321-F371 HydrophobicContact CG-CD1 4.42Å |
| 322 | C | 78.6 | Confident | 75.6 | Confident | 89 Ų | 89 | 72 Ų | 72 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.6 | -24.4 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | T318 M320 | T318-C322 WeakPolarHBondContact O-CB 2.82Å; T318-C322 PolarHBondContact O-N 2.82Å; T318-C322 PolarHBondContact O-SG 3.25Å; M320-C322 VanDerWaalsContact C-N 3.34Å; M320-C322 PolarHBondContact O-N 3.44Å |
| 323 | G | 77.2 | Confident | 76.6 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 69% | 0.691 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -84.1 | -8.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q319 M320 F321 | Q319-G323 PolarHBondContact O-N 3.11Å; M320-G323 PolarHBondContact O-N 2.87Å; F321-G323 PolarHBondContact O-N 2.9Å |
| 324 | L | 74.5 | Confident | 77 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -114.1 | -26.1 | -175 | -64.9 | 163.5 | 0 | 0 | 0 | 113.3 | M320 F321 E326 L332 I340 F371 | M320-L324 WeakPolarHBondContact O-CD1 3.45Å; M320-L324 WeakPolarHBondContact O-CG 3.22Å; M320-L324 PolarHBondContact O-N 2.9Å; F321-L324 PolarHBondContact O-N 3.12Å; L324-E326 PolarHBondContact O-N 2.87Å; L324-L332 HydrophobicContact CB-CD1 4.06Å; L324-L332 HydrophobicContact CB-CD2 3.62Å; L324-L332 HydrophobicContact CB-CG 4.42Å; L324-L332 HydrophobicContact CD1-CD1 4.2Å; L324-L332 WeakPolarHBondContact O-CD2 3.48Å; L324-I340 HydrophobicContact CD1-CB 4.41Å; L324-I340 HydrophobicContact CD1-CD1 3.97Å; L324-I340 HydrophobicContact CD1-CG1 3.69Å; L324-I340 HydrophobicContact CD2-CD1 3.87Å; L324-I340 HydrophobicContact CD2-CG1 3.54Å; L324-I340 HydrophobicContact CG-CD1 4.45Å; L324-I340 HydrophobicContact CG-CG1 4.24Å; L324-F371 HydrophobicContact CD1-CE2 4Å; L324-F371 HydrophobicContact CD1-CZ 3.7Å |
| 325 | S | 68.1 | Low | 77.2 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | trans | -72.5 | 74.3 | 173.5 | -176.3 | 0 | 0 | 0 | 0 | 110 | F321 A327 K328 S329 | F321-S325 PolarHBondContact O-N 3.27Å; S325-A327 PolarHBondContact O-N 2.97Å; S325-K328 PolarHBondContact O-N 2.91Å; S325-S329 PolarHBondContact OG-N 2.93Å; S325-S329 PolarHBondContact OG-OG 2.93Å | ||
| 326 | E | 61.7 | Low | 77.4 | Confident | 199 Ų | 199 | 73.8 Ų | 73.8 | 93% | 0.93 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.6 | -169.4 | -146.2 | 173.3 | -145.9 | 0 | 0 | 113.7 | L324 | L324-E326 PolarHBondContact O-N 2.87Š|
| 327 | A | 59.6 | Low | 77.4 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 70% | 0.702 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 4.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | S325 S329 | S325-A327 PolarHBondContact O-N 2.97Å; A327-S329 PolarHBondContact O-N 2.83Å |
| 328 | K | 60.7 | Low | 77.1 | Confident | 198 Ų | 198 | 74.6 Ų | 74.6 | 86% | 0.861 | 41% | 0.412 | S | S | * | . | trans | 52.3 | 33.2 | -163.1 | -61.2 | -179.3 | 177.1 | 178.7 | 0 | 113.1 | S325 G330 | S325-K328 PolarHBondContact O-N 2.91Å; K328-G330 PolarHBondContact O-N 3.2Å; K328-G330 VanDerWaalsContact O-N 3.16Å | ||
| 329 | S | 67.3 | Low | 76.8 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | trans | -60.7 | -21.2 | -175.7 | 42.1 | 0 | 0 | 0 | 0 | 114.9 | S325 A327 F331 | S325-S329 PolarHBondContact OG-N 2.93Å; S325-S329 PolarHBondContact OG-OG 2.93Å; A327-S329 PolarHBondContact O-N 2.83Å; S329-F331 WeakPolarHBondContact O-CD1 2.89Å; S329-F331 VanDerWaalsContact O-CE1 3.29Å; S329-F331 WeakPolarHBondContact O-CE1 3.26Å; S329-F331 PolarHBondContact O-N 2.8Å; S329-F331 PolarHBondContact OG-O 3.39Å | ||
| 330 | G | 77.7 | Confident | 76.8 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 46% | 0.464 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 79.7 | -8.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F321 K328 | F321-G330 WeakPolarHBondContact CZ-O 2.77Å; K328-G330 PolarHBondContact O-N 3.2Å; K328-G330 VanDerWaalsContact O-N 3.16Å |
| 331 | F | 83.3 | Confident | 77 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 31% | 0.307 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 156 | 175.7 | 58.2 | -99 | 0 | 0 | 0 | 111.1 | S329 R365 L366 | S329-F331 WeakPolarHBondContact O-CD1 2.89Å; S329-F331 VanDerWaalsContact O-CE1 3.29Å; S329-F331 WeakPolarHBondContact O-CE1 3.26Å; S329-F331 PolarHBondContact O-N 2.8Å; S329-F331 PolarHBondContact OG-O 3.39Å; F331-R365 HydrophobicContact CB-CB 4.06Å; F331-R365 HydrophobicContact CD2-CB 4.18Å; F331-R365 HydrophobicContact CD2-CG 4.21Å; F331-R365 HydrophobicContact CG-CB 4.35Å; F331-L366 CarbonylContact C-O 3.43Å; F331-L366 VanDerWaalsContact CA-O 3.32Å; F331-L366 WeakPolarHBondContact CA-O 3.18Å |
| 332 | L | 83.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.6 | 166.2 | -78.5 | 167.6 | 0 | 0 | 0 | 109.8 | F321 L324 D336 A337 R365 L366 F371 | F321-L332 HydrophobicContact CD2-CD1 3.56Å; F321-L332 HydrophobicContact CD2-CG 4Å; F321-L332 HydrophobicContact CE2-CB 4.28Å; F321-L332 HydrophobicContact CE2-CD1 3.78Å; F321-L332 HydrophobicContact CE2-CG 3.71Å; L324-L332 HydrophobicContact CB-CD1 4.06Å; L324-L332 HydrophobicContact CB-CD2 3.62Å; L324-L332 HydrophobicContact CB-CG 4.42Å; L324-L332 HydrophobicContact CD1-CD1 4.2Å; L324-L332 WeakPolarHBondContact O-CD2 3.48Å; L332-D336 HydrophobicContact CD2-CB 3.89Å; L332-A337 HydrophobicContact CB-CB 4.35Å; L332-R365 CarbonylContact O-C 3.23Å; L332-R365 WeakPolarHBondContact O-CA 3.29Å; L332-R365 WeakPolarHBondContact O-CB 3.48Å; L332-L366 PolarHBondContact N-O 3.45Å; L332-L366 PolarHBondContact O-N 2.88Å; L332-F371 HydrophobicContact CD1-CD2 3.49Å; L332-F371 VanDerWaalsContact CD1-CD2 3.49Å; L332-F371 HydrophobicContact CD1-CE2 3.75Å; L332-F371 HydrophobicContact CD1-CG 4.12Å |
| 333 | N | 82.4 | Confident | 77.1 | Confident | 58 Ų | 58 | 75 Ų | 75 | 31% | 0.31 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 163.9 | 170 | 68.4 | 64.2 | 0 | 0 | 0 | 110.9 | K335 D336 A337 | N333-K335 PolarHBondContact O-N 3.39Å; N333-K335 VanDerWaalsContact O-N 3.13Å; N333-K335 WeakPolarHBondContact OD1-CA 3.48Å; N333-K335 VanDerWaalsContact OD1-CB 3.24Å; N333-K335 WeakPolarHBondContact OD1-CB 3.34Å; N333-K335 PolarHBondContact OD1-N 2.97Å; N333-D336 PolarHBondContact ND2-OD2 2.84Å; N333-D336 PolarHBondContact O-N 3.08Å; N333-D336 PolarHBondContact OD1-N 2.93Å; N333-D336 VanDerWaalsContact OD1-N 3.13Å; N333-A337 PolarHBondContact O-N 2.82Å; N333-A337 VanDerWaalsContact O-N 3.17Å |
| 334 | G | 81.6 | Confident | 77.5 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.7 | -22.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | R338 W355 | G334-R338 WeakPolarHBondContact O-CB 3.44Å; G334-R338 PolarHBondContact O-N 2.83Å; G334-W355 VanDerWaalsContact CA-CH2 3.45Å |
| 335 | K | 80.9 | Confident | 77.8 | Confident | 164 Ų | 164 | 75.1 Ų | 75.1 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -76.4 | -45.3 | 177.9 | -171 | -174.9 | 177.9 | -173.7 | 0 | 111.4 | N333 T339 | N333-K335 PolarHBondContact O-N 3.39Å; N333-K335 VanDerWaalsContact O-N 3.13Å; N333-K335 WeakPolarHBondContact OD1-CA 3.48Å; N333-K335 VanDerWaalsContact OD1-CB 3.24Å; N333-K335 WeakPolarHBondContact OD1-CB 3.34Å; N333-K335 PolarHBondContact OD1-N 2.97Å; K335-T339 PolarHBondContact O-N 3.34Å; K335-T339 PolarHBondContact O-OG1 3.03Å |
| 336 | D | 81.3 | Confident | 78.7 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 32% | 0.316 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | -177.6 | -55.2 | -19.1 | 0 | 0 | 0 | 110.3 | L332 N333 T339 | L332-D336 HydrophobicContact CD2-CB 3.89Å; N333-D336 PolarHBondContact ND2-OD2 2.84Å; N333-D336 PolarHBondContact O-N 3.08Å; N333-D336 PolarHBondContact OD1-N 2.93Å; N333-D336 VanDerWaalsContact OD1-N 3.13Å; D336-T339 VanDerWaalsContact O-CB 3.28Å; D336-T339 WeakPolarHBondContact O-CB 3.5Å; D336-T339 PolarHBondContact O-N 3.36Å |
| 337 | A | 82.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L332 N333 T339 I340 F341 W355 L366 | L332-A337 HydrophobicContact CB-CB 4.35Å; N333-A337 PolarHBondContact O-N 2.82Å; N333-A337 VanDerWaalsContact O-N 3.17Å; A337-T339 PolarHBondContact O-N 2.87Å; A337-I340 PolarHBondContact O-N 3.18Å; A337-F341 WeakPolarHBondContact O-CD1 3.47Å; A337-F341 PolarHBondContact O-N 2.76Å; A337-W355 HydrophobicContact CB-CH2 4.35Å; A337-W355 HydrophobicContact CB-CZ3 3.6Å; A337-L366 HydrophobicContact CB-CD1 4.4Å |
| 338 | R | 83.3 | Confident | 81.1 | Confident | 143 Ų | 143 | 69.6 Ų | 69.6 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.2 | -34.3 | 174.8 | -171.3 | 178.3 | -143.4 | -89.7 | -4.8 | 112.2 | G334 I340 F341 C342 N348 | G334-R338 WeakPolarHBondContact O-CB 3.44Å; G334-R338 PolarHBondContact O-N 2.83Å; R338-I340 PolarHBondContact O-N 2.83Å; R338-F341 PolarHBondContact O-N 2.98Å; R338-C342 WeakPolarHBondContact O-CB 3.43Å; R338-C342 PolarHBondContact O-N 3.25Å; R338-C342 PolarHBondContact O-SG 2.8Å; R338-C342 VanDerWaalsContact O-SG 3.35Å; R338-N348 PolarHBondContact NH2-OD1 3.47Å |
| 339 | T | 77.8 | Confident | 82.3 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -25.5 | 177.3 | -55.2 | 0 | 0 | 0 | 0 | 113 | K335 D336 A337 | K335-T339 PolarHBondContact O-N 3.34Å; K335-T339 PolarHBondContact O-OG1 3.03Å; D336-T339 VanDerWaalsContact O-CB 3.28Å; D336-T339 WeakPolarHBondContact O-CB 3.5Å; D336-T339 PolarHBondContact O-N 3.36Å; A337-T339 PolarHBondContact O-N 2.87Å |
| 340 | I | 81.7 | Confident | 83.3 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -94.2 | -44.1 | 172.8 | -78.7 | -96.5 | 0 | 0 | 0 | 111.3 | L324 A337 R338 C342 R343 F344 F371 | L324-I340 HydrophobicContact CD1-CB 4.41Å; L324-I340 HydrophobicContact CD1-CD1 3.97Å; L324-I340 HydrophobicContact CD1-CG1 3.69Å; L324-I340 HydrophobicContact CD2-CD1 3.87Å; L324-I340 HydrophobicContact CD2-CG1 3.54Å; L324-I340 HydrophobicContact CG-CD1 4.45Å; L324-I340 HydrophobicContact CG-CG1 4.24Å; A337-I340 PolarHBondContact O-N 3.18Å; R338-I340 PolarHBondContact O-N 2.83Å; I340-C342 VanDerWaalsContact C-N 3.3Å; I340-C342 PolarHBondContact O-N 2.78Å; I340-R343 VanDerWaalsContact O-CB 3.29Å; I340-R343 WeakPolarHBondContact O-CB 3.36Å; I340-R343 PolarHBondContact O-N 2.98Å; I340-F344 HydrophobicContact CG2-CE2 3.77Å; I340-F344 VanDerWaalsContact O-CD2 3.27Å; I340-F344 WeakPolarHBondContact O-CD2 3.37Å; I340-F371 HydrophobicContact CG2-CE2 4.45Å; I340-F371 HydrophobicContact CG2-CZ 4.32Å |
| 341 | F | 86.9 | Confident | 83.9 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 2% | 0.022 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.2 | -41.3 | -178.2 | -74.8 | 10.6 | 0 | 0 | 0 | 112 | A337 R338 R343 F344 L351 I354 W355 L366 F371 A374 I378 | A337-F341 WeakPolarHBondContact O-CD1 3.47Å; A337-F341 PolarHBondContact O-N 2.76Å; R338-F341 PolarHBondContact O-N 2.98Å; F341-R343 PolarHBondContact O-N 2.71Å; F341-F344 PolarHBondContact O-N 2.75Å; F341-F344 VanDerWaalsContact O-N 3.12Å; F341-L351 HydrophobicContact CB-CD1 4.09Å; F341-L351 HydrophobicContact CB-CD2 3.93Å; F341-L351 HydrophobicContact CB-CG 4.44Å; F341-L351 WeakPolarHBondContact O-CD1 3.24Å; F341-I354 HydrophobicContact CE2-CG2 4.47Å; F341-W355 AromaticContact CE2-CE3 3.87Å; F341-W355 HydrophobicContact CE2-CE3 3.87Å; F341-W355 HydrophobicContact CE2-CZ3 4.41Å; F341-L366 HydrophobicContact CE2-CD1 4.16Å; F341-L366 HydrophobicContact CZ-CD1 3.61Å; F341-F371 HydrophobicContact CE1-CD2 4.3Å; F341-F371 HydrophobicContact CE1-CE2 4.05Å; F341-A374 HydrophobicContact CE1-CB 4.08Å; F341-A374 HydrophobicContact CE2-CB 4.16Å; F341-A374 HydrophobicContact CZ-CB 3.41Å; F341-A374 VanDerWaalsContact CZ-CB 3.41Å; F341-I378 HydrophobicContact CD1-CD1 3.61Å; F341-I378 HydrophobicContact CE1-CD1 3.95Å; F341-I378 HydrophobicContact CG-CD1 4.03Å |
| 342 | C | 83.8 | Confident | 84.1 | Confident | 58 Ų | 58 | 64 Ų | 64 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.3 | -23.2 | 175.2 | -67.8 | 0 | 0 | 0 | 0 | 113.9 | R338 I340 F344 G345 | R338-C342 WeakPolarHBondContact O-CB 3.43Å; R338-C342 PolarHBondContact O-N 3.25Å; R338-C342 PolarHBondContact O-SG 2.8Å; R338-C342 VanDerWaalsContact O-SG 3.35Å; I340-C342 VanDerWaalsContact C-N 3.3Å; I340-C342 PolarHBondContact O-N 2.78Å; C342-F344 PolarHBondContact O-N 3.46Å; C342-G345 PolarHBondContact O-N 3.4Å |
| 343 | R | 84 | Confident | 84.3 | Confident | 191 Ų | 191 | 67.4 Ų | 67.4 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -70.4 | -13.9 | 175.9 | -63 | 179.6 | 176.1 | -167.1 | -4.2 | 113.2 | I340 F341 | I340-R343 VanDerWaalsContact O-CB 3.29Å; I340-R343 WeakPolarHBondContact O-CB 3.36Å; I340-R343 PolarHBondContact O-N 2.98Å; F341-R343 PolarHBondContact O-N 2.71Å |
| 344 | F | 84.7 | Confident | 84.7 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 18% | 0.18 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -83.9 | -10.3 | 178.9 | -70.2 | -83.3 | 0 | 0 | 0 | 113.9 | I340 F341 C342 M375 I378 K382 | I340-F344 HydrophobicContact CG2-CE2 3.77Å; I340-F344 VanDerWaalsContact O-CD2 3.27Å; I340-F344 WeakPolarHBondContact O-CD2 3.37Å; F341-F344 PolarHBondContact O-N 2.75Å; F341-F344 VanDerWaalsContact O-N 3.12Å; C342-F344 PolarHBondContact O-N 3.46Å; F344-M375 HydrophobicContact CE1-CE 3.82Å; F344-M375 HydrophobicContact CE2-CE 3.94Å; F344-M375 HydrophobicContact CE2-SD 3.84Å; F344-M375 HydrophobicContact CZ-CE 3.41Å; F344-M375 VanDerWaalsContact CZ-CE 3.41Å; F344-M375 HydrophobicContact CZ-SD 3.88Å; F344-I378 HydrophobicContact CB-CG2 3.69Å; F344-I378 HydrophobicContact CD1-CG2 3.39Å; F344-I378 HydrophobicContact CD2-CD1 4.02Å; F344-I378 HydrophobicContact CD2-CG2 3.92Å; F344-I378 HydrophobicContact CE1-CG2 4.01Å; F344-I378 HydrophobicContact CE2-CD1 4.43Å; F344-I378 HydrophobicContact CE2-CG2 4.45Å; F344-I378 HydrophobicContact CG-CD1 4.47Å; F344-I378 HydrophobicContact CG-CG2 3.36Å; F344-K382 HydrophobicContact CD1-CD 4.43Å; F344-K382 WeakPolarHBondContact O-CE 3.1Å; F344-K382 PolarHBondContact O-NZ 3.11Å |
| 345 | G | 82.2 | Confident | 85.1 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 72% | 0.722 | 35% | 0.346 | S | S | * | . | trans | 78.2 | 14.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C342 | C342-G345 PolarHBondContact O-N 3.4Š| ||
| 346 | L | 86.5 | Confident | 85.3 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | trans | -83.1 | 155.6 | 174 | -54.3 | -179.8 | 0 | 0 | 0 | 110.4 | V350 L351 I354 I378 V381 | L346-V350 HydrophobicContact CB-CB 4.28Å; L346-V350 HydrophobicContact CB-CG1 3.91Å; L346-V350 HydrophobicContact CD1-CG1 3.98Å; L346-V350 HydrophobicContact CG-CG1 4.4Å; L346-L351 HydrophobicContact CB-CD2 3.8Å; L346-L351 HydrophobicContact CB-CG 4Å; L346-L351 HydrophobicContact CD1-CD2 4.06Å; L346-L351 HydrophobicContact CG-CD2 4.38Å; L346-I354 HydrophobicContact CD1-CD1 3.8Å; L346-I378 HydrophobicContact CD1-CG1 4.34Å; L346-I378 HydrophobicContact CD1-CG2 4.42Å; L346-V381 HydrophobicContact CD1-CB 4.2Å; L346-V381 HydrophobicContact CD1-CG1 3.93Å; L346-V381 HydrophobicContact CD2-CG1 3.67Å; L346-V381 HydrophobicContact CG-CG1 4.45Å | ||
| 347 | S | 87.1 | Confident | 85.7 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | trans | -64.8 | 157.3 | 179 | 88.2 | 0 | 0 | 0 | 0 | 111.7 | D349 V350 L351 | S347-D349 WeakPolarHBondContact CB-OD2 3.44Å; S347-D349 PolarHBondContact O-N 3.35Å; S347-D349 PolarHBondContact OG-N 3.39Å; S347-D349 PolarHBondContact OG-OD2 3.02Å; S347-V350 PolarHBondContact O-N 2.96Å; S347-V350 PolarHBondContact OG-N 3.2Å; S347-L351 WeakPolarHBondContact O-CG 2.81Å; S347-L351 PolarHBondContact O-N 3.01Å | ||
| 348 | N | 84.2 | Confident | 85.9 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.4 | -33.5 | 176.9 | -74.4 | -72 | 0 | 0 | 0 | 112.1 | R338 L351 A352 | R338-N348 PolarHBondContact NH2-OD1 3.47Å; N348-L351 PolarHBondContact O-N 3.09Å; N348-A352 VanDerWaalsContact O-CB 3.28Å; N348-A352 WeakPolarHBondContact O-CB 2.88Å; N348-A352 PolarHBondContact O-N 2.99Å |
| 349 | D | 85.4 | Confident | 86.1 | Confident | 125 Ų | 125 | 53.6 Ų | 53.6 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.5 | -43.7 | 179 | -27.1 | -83.3 | 0 | 0 | 0 | 111 | S347 L351 A352 H353 | S347-D349 WeakPolarHBondContact CB-OD2 3.44Å; S347-D349 PolarHBondContact O-N 3.35Å; S347-D349 PolarHBondContact OG-N 3.39Å; S347-D349 PolarHBondContact OG-OD2 3.02Å; D349-L351 VanDerWaalsContact C-N 3.34Å; D349-A352 PolarHBondContact O-N 2.88Å; D349-H353 WeakPolarHBondContact O-CB 3.48Å; D349-H353 PolarHBondContact O-N 2.8Å |
| 350 | V | 88.5 | Confident | 86.3 | Confident | 44 Ų | 44 | 53 Ų | 53 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | L346 S347 H353 I354 V381 L387 | L346-V350 HydrophobicContact CB-CB 4.28Å; L346-V350 HydrophobicContact CB-CG1 3.91Å; L346-V350 HydrophobicContact CD1-CG1 3.98Å; L346-V350 HydrophobicContact CG-CG1 4.4Å; S347-V350 PolarHBondContact O-N 2.96Å; S347-V350 PolarHBondContact OG-N 3.2Å; V350-H353 PolarHBondContact O-N 3.44Å; V350-I354 HydrophobicContact CG1-CD1 4.04Å; V350-I354 WeakPolarHBondContact O-CB 3.46Å; V350-I354 VanDerWaalsContact O-CG1 3.26Å; V350-I354 WeakPolarHBondContact O-CG1 3.39Å; V350-I354 PolarHBondContact O-N 2.79Å; V350-V381 HydrophobicContact CG1-CG1 4.19Å; V350-L387 HydrophobicContact CG1-CD1 4.02Å |
| 351 | L | 90.4 | Very high | 86.3 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.4 | -34.3 | 176.6 | -66.3 | 179.3 | 0 | 0 | 0 | 112.9 | F341 L346 S347 N348 D349 I354 W355 | F341-L351 HydrophobicContact CB-CD1 4.09Å; F341-L351 HydrophobicContact CB-CD2 3.93Å; F341-L351 HydrophobicContact CB-CG 4.44Å; F341-L351 WeakPolarHBondContact O-CD1 3.24Å; L346-L351 HydrophobicContact CB-CD2 3.8Å; L346-L351 HydrophobicContact CB-CG 4Å; L346-L351 HydrophobicContact CD1-CD2 4.06Å; L346-L351 HydrophobicContact CG-CD2 4.38Å; S347-L351 WeakPolarHBondContact O-CG 2.81Å; S347-L351 PolarHBondContact O-N 3.01Å; N348-L351 PolarHBondContact O-N 3.09Å; D349-L351 VanDerWaalsContact C-N 3.34Å; L351-I354 HydrophobicContact CD2-CD1 4.44Å; L351-W355 PolarHBondContact O-N 2.88Å |
| 352 | A | 87.4 | Confident | 86 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | N348 D349 W355 F356 | N348-A352 VanDerWaalsContact O-CB 3.28Å; N348-A352 WeakPolarHBondContact O-CB 2.88Å; N348-A352 PolarHBondContact O-N 2.99Å; D349-A352 PolarHBondContact O-N 2.88Å; A352-W355 WeakPolarHBondContact O-CB 3.1Å; A352-W355 PolarHBondContact O-N 3.11Å; A352-F356 WeakPolarHBondContact O-CB 3.28Å; A352-F356 PolarHBondContact O-N 2.91Å |
| 353 | H | 88.4 | Confident | 86 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 173.2 | -164.2 | 98.2 | 0 | 0 | 0 | 111.3 | D349 V350 F356 L357 L387 P388 | D349-H353 WeakPolarHBondContact O-CB 3.48Å; D349-H353 PolarHBondContact O-N 2.8Å; V350-H353 PolarHBondContact O-N 3.44Å; H353-F356 PolarHBondContact O-N 3.42Å; H353-L357 VanDerWaalsContact CD2-CD1 3.44Å; H353-L357 WeakPolarHBondContact CD2-CD1 2.88Å; H353-L357 WeakPolarHBondContact O-CB 2.92Å; H353-L357 VanDerWaalsContact O-CG 3.28Å; H353-L357 WeakPolarHBondContact O-CG 3.34Å; H353-L357 PolarHBondContact O-N 2.77Å; H353-L387 HydrophobicContact CB-CD1 4.24Å; H353-P388 PolarHBondContact NE2-O 2.84Å |
| 354 | I | 90 | Very high | 86 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 171.7 | -72.6 | 170 | 0 | 0 | 0 | 111.1 | F341 L346 V350 L351 L357 S358 A374 I378 V381 L387 | F341-I354 HydrophobicContact CE2-CG2 4.47Å; L346-I354 HydrophobicContact CD1-CD1 3.8Å; V350-I354 HydrophobicContact CG1-CD1 4.04Å; V350-I354 WeakPolarHBondContact O-CB 3.46Å; V350-I354 VanDerWaalsContact O-CG1 3.26Å; V350-I354 WeakPolarHBondContact O-CG1 3.39Å; V350-I354 PolarHBondContact O-N 2.79Å; L351-I354 HydrophobicContact CD2-CD1 4.44Å; I354-L357 PolarHBondContact O-N 3.24Å; I354-S358 WeakPolarHBondContact O-CB 2.79Å; I354-S358 PolarHBondContact O-N 3.43Å; I354-S358 PolarHBondContact O-OG 2.83Å; I354-A374 HydrophobicContact CG2-CB 4.01Å; I354-I378 HydrophobicContact CD1-CG1 3.79Å; I354-I378 HydrophobicContact CG2-CG1 4.18Å; I354-V381 HydrophobicContact CD1-CG2 4.45Å; I354-L387 HydrophobicContact CD1-CD1 4.27Å; I354-L387 HydrophobicContact CD1-CD2 4.27Å; I354-L387 HydrophobicContact CG1-CD1 3.69Å; I354-L387 HydrophobicContact CG1-CD2 3.71Å; I354-L387 HydrophobicContact CG1-CG 4.37Å |
| 355 | W | 89.2 | Confident | 86.1 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.6 | -54.6 | 173.3 | -175.6 | -78.9 | 0 | 0 | 0 | 110.8 | G334 A337 F341 L351 A352 L357 S358 D359 L366 | G334-W355 VanDerWaalsContact CA-CH2 3.45Å; A337-W355 HydrophobicContact CB-CH2 4.35Å; A337-W355 HydrophobicContact CB-CZ3 3.6Å; F341-W355 AromaticContact CE2-CE3 3.87Å; F341-W355 HydrophobicContact CE2-CE3 3.87Å; F341-W355 HydrophobicContact CE2-CZ3 4.41Å; L351-W355 PolarHBondContact O-N 2.88Å; A352-W355 WeakPolarHBondContact O-CB 3.1Å; A352-W355 PolarHBondContact O-N 3.11Å; W355-L357 PolarHBondContact O-N 2.78Å; W355-S358 PolarHBondContact O-N 2.93Å; W355-D359 PolarHBondContact NE1-OD2 3.36Å; W355-D359 WeakPolarHBondContact O-CB 3.1Å; W355-D359 PolarHBondContact O-N 2.95Å; W355-L366 HydrophobicContact CE3-CD1 3.88Å; W355-L366 HydrophobicContact CE3-CG 4.28Å; W355-L366 HydrophobicContact CH2-CD1 3.93Å; W355-L366 HydrophobicContact CH2-CD2 4.41Å; W355-L366 HydrophobicContact CH2-CG 3.6Å; W355-L366 HydrophobicContact CZ2-CD2 4.49Å; W355-L366 HydrophobicContact CZ2-CG 4.12Å; W355-L366 HydrophobicContact CZ3-CD1 3.43Å; W355-L366 VanDerWaalsContact CZ3-CD1 3.43Å; W355-L366 HydrophobicContact CZ3-CD2 4.49Å; W355-L366 HydrophobicContact CZ3-CG 3.68Å |
| 356 | F | 86.6 | Confident | 86.4 | Confident | 103 Ų | 103 | 57.1 Ų | 57.1 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -25.8 | -179.4 | 179.7 | -95.4 | 0 | 0 | 0 | 114.5 | A352 H353 | A352-F356 WeakPolarHBondContact O-CB 3.28Å; A352-F356 PolarHBondContact O-N 2.91Å; H353-F356 PolarHBondContact O-N 3.42Å |
| 357 | L | 88.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.4 | -15.1 | 173 | -72.5 | 176.1 | 0 | 0 | 0 | 114.2 | H353 I354 W355 Y377 L387 P388 V390 P391 | H353-L357 VanDerWaalsContact CD2-CD1 3.44Å; H353-L357 WeakPolarHBondContact CD2-CD1 2.88Å; H353-L357 WeakPolarHBondContact O-CB 2.92Å; H353-L357 VanDerWaalsContact O-CG 3.28Å; H353-L357 WeakPolarHBondContact O-CG 3.34Å; H353-L357 PolarHBondContact O-N 2.77Å; I354-L357 PolarHBondContact O-N 3.24Å; W355-L357 PolarHBondContact O-N 2.78Å; L357-Y377 HydrophobicContact CB-CD2 4.09Å; L357-Y377 HydrophobicContact CB-CE2 3.66Å; L357-Y377 HydrophobicContact CD1-CE1 4.42Å; L357-Y377 HydrophobicContact CD1-CE2 4.43Å; L357-L387 HydrophobicContact CD1-CB 4.1Å; L357-L387 HydrophobicContact CD1-CD2 4.09Å; L357-P388 HydrophobicContact CD1-CG 3.84Å; L357-P388 HydrophobicContact CD2-CG 4.19Å; L357-V390 VanDerWaalsContact CD2-C 3.45Å; L357-P391 HydrophobicContact CD2-CG 4.24Å |
| 358 | S | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -115.5 | -29.4 | -169.4 | -49.4 | 0 | 0 | 0 | 0 | 113.6 | I354 W355 L360 E370 A374 | I354-S358 WeakPolarHBondContact O-CB 2.79Å; I354-S358 PolarHBondContact O-N 3.43Å; I354-S358 PolarHBondContact O-OG 2.83Å; W355-S358 PolarHBondContact O-N 2.93Å; S358-L360 PolarHBondContact O-N 2.98Å; S358-L360 VanDerWaalsContact O-N 3.12Å; S358-E370 WeakPolarHBondContact O-CB 3.41Å; S358-E370 WeakPolarHBondContact O-CG 3.32Å; S358-A374 WeakPolarHBondContact OG-CA 3.46Å; S358-A374 WeakPolarHBondContact OG-CB 3.28Å; S358-A374 PolarHBondContact OG-N 3.4Å |
| 359 | D | 87.7 | Confident | 86.5 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | trans | -73.9 | 86.3 | 169.3 | -174.3 | -6.8 | 0 | 0 | 0 | 107.7 | W355 K362 D363 G364 L366 | W355-D359 PolarHBondContact NE1-OD2 3.36Å; W355-D359 WeakPolarHBondContact O-CB 3.1Å; W355-D359 PolarHBondContact O-N 2.95Å; D359-K362 WeakPolarHBondContact OD1-CA 3.41Å; D359-K362 PolarHBondContact OD1-N 2.73Å; D359-K362 VanDerWaalsContact OD1-N 3.1Å; D359-D363 PolarHBondContact OD1-N 2.75Å; D359-G364 WeakPolarHBondContact OD2-CA 3.29Å; D359-G364 PolarHBondContact OD2-N 3.22Å; D359-L366 HydrophobicContact CB-CD2 4.11Å | ||
| 360 | L | 81.6 | Confident | 86.7 | Confident | 73 Ų | 73 | 53 Ų | 53 | 38% | 0.382 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -80.9 | -33.4 | -164.8 | -69.4 | -177.7 | 0 | 0 | 0 | 112.5 | S358 E370 L373 P391 | S358-L360 PolarHBondContact O-N 2.98Å; S358-L360 VanDerWaalsContact O-N 3.12Å; L360-E370 WeakPolarHBondContact CB-OE1 3.34Å; L360-E370 HydrophobicContact CD1-CG 4.38Å; L360-E370 HydrophobicContact CG-CG 4.25Å; L360-E370 PolarHBondContact N-OE1 3.36Å; L360-L373 HydrophobicContact CD1-CD1 3.78Å; L360-L373 HydrophobicContact CG-CD1 4.4Å; L360-P391 HydrophobicContact CD2-CB 3.99Å |
| 361 | D | 80.8 | Confident | 86.8 | Confident | 109 Ų | 109 | 50.9 Ų | 50.9 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -93.9 | -14.6 | 176.1 | 72.2 | 10.4 | 0 | 0 | 0 | 113.8 | D363 | D361-D363 WeakPolarHBondContact OD1-CB 3.38Å; D361-D363 PolarHBondContact OD1-N 3.2Å |
| 362 | K | 80.8 | Confident | 86.7 | Confident | 140 Ų | 140 | 50.7 Ų | 50.7 | 61% | 0.609 | 26% | 0.264 | S | S | * | . | trans | 72 | 29 | 178.6 | -53.9 | -177.5 | 179.7 | -179.6 | 0 | 114.2 | D359 G364 | D359-K362 WeakPolarHBondContact OD1-CA 3.41Å; D359-K362 PolarHBondContact OD1-N 2.73Å; D359-K362 VanDerWaalsContact OD1-N 3.1Å; K362-G364 PolarHBondContact O-N 2.64Å | ||
| 363 | D | 84 | Confident | 86.7 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -75.2 | -8.5 | 173.5 | 107 | -37.9 | 0 | 0 | 0 | 114.2 | D359 D361 R365 | D359-D363 PolarHBondContact OD1-N 2.75Å; D361-D363 WeakPolarHBondContact OD1-CB 3.38Å; D361-D363 PolarHBondContact OD1-N 3.2Å; D363-R365 WeakPolarHBondContact OD1-CA 3.4Å; D363-R365 WeakPolarHBondContact OD1-CB 3.14Å; D363-R365 WeakPolarHBondContact OD1-CG 3.24Å; D363-R365 PolarHBondContact OD1-N 3.47Å; D363-R365 WeakPolarHBondContact OD2-CD 3.44Å; D363-R365 IonicContact OD2-CZ 3.76Å; D363-R365 IonicContact OD2-NE 2.74Å; D363-R365 PolarHBondContact OD2-NE 2.73Å |
| 364 | G | 83.1 | Confident | 86.8 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 83.7 | 20 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D359 K362 | D359-G364 WeakPolarHBondContact OD2-CA 3.29Å; D359-G364 PolarHBondContact OD2-N 3.22Å; K362-G364 PolarHBondContact O-N 2.64Å |
| 365 | R | 87.6 | Confident | 86.8 | Confident | 102 Ų | 102 | 44.9 Ų | 44.9 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 168.1 | 177 | -41.5 | 172.2 | -165.3 | -161.5 | -1.4 | 108.3 | F331 L332 D363 | F331-R365 HydrophobicContact CB-CB 4.06Å; F331-R365 HydrophobicContact CD2-CB 4.18Å; F331-R365 HydrophobicContact CD2-CG 4.21Å; F331-R365 HydrophobicContact CG-CB 4.35Å; L332-R365 CarbonylContact O-C 3.23Å; L332-R365 WeakPolarHBondContact O-CA 3.29Å; L332-R365 WeakPolarHBondContact O-CB 3.48Å; D363-R365 WeakPolarHBondContact OD1-CA 3.4Å; D363-R365 WeakPolarHBondContact OD1-CB 3.14Å; D363-R365 WeakPolarHBondContact OD1-CG 3.24Å; D363-R365 PolarHBondContact OD1-N 3.47Å; D363-R365 WeakPolarHBondContact OD2-CD 3.44Å; D363-R365 IonicContact OD2-CZ 3.76Å; D363-R365 IonicContact OD2-NE 2.74Å; D363-R365 PolarHBondContact OD2-NE 2.73Å |
| 366 | L | 88.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 120.1 | 171.3 | -61.8 | 172.3 | 0 | 0 | 0 | 108.5 | F321 F331 L332 A337 F341 W355 D359 E370 F371 A374 | F321-L366 WeakPolarHBondContact CE2-O 3.35Å; F331-L366 CarbonylContact C-O 3.43Å; F331-L366 VanDerWaalsContact CA-O 3.32Å; F331-L366 WeakPolarHBondContact CA-O 3.18Å; L332-L366 PolarHBondContact N-O 3.45Å; L332-L366 PolarHBondContact O-N 2.88Å; A337-L366 HydrophobicContact CB-CD1 4.4Å; F341-L366 HydrophobicContact CE2-CD1 4.16Å; F341-L366 HydrophobicContact CZ-CD1 3.61Å; W355-L366 HydrophobicContact CE3-CD1 3.88Å; W355-L366 HydrophobicContact CE3-CG 4.28Å; W355-L366 HydrophobicContact CH2-CD1 3.93Å; W355-L366 HydrophobicContact CH2-CD2 4.41Å; W355-L366 HydrophobicContact CH2-CG 3.6Å; W355-L366 HydrophobicContact CZ2-CD2 4.49Å; W355-L366 HydrophobicContact CZ2-CG 4.12Å; W355-L366 HydrophobicContact CZ3-CD1 3.43Å; W355-L366 VanDerWaalsContact CZ3-CD1 3.43Å; W355-L366 HydrophobicContact CZ3-CD2 4.49Å; W355-L366 HydrophobicContact CZ3-CG 3.68Å; D359-L366 HydrophobicContact CB-CD2 4.11Å; L366-E370 HydrophobicContact CB-CB 4.12Å; L366-E370 HydrophobicContact CD2-CB 3.83Å; L366-F371 HydrophobicContact CB-CB 4.36Å; L366-A374 HydrophobicContact CD1-CB 4.29Å |
| 367 | T | 88 | Confident | 86.7 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 173.8 | 163.5 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | E369 E370 F371 | T367-E369 PolarHBondContact O-N 2.7Å; T367-E370 VanDerWaalsContact CB-OE2 3.25Å; T367-E370 WeakPolarHBondContact CB-OE2 3.49Å; T367-E370 VanDerWaalsContact CG2-OE2 3.25Å; T367-E370 WeakPolarHBondContact CG2-OE2 3.31Å; T367-E370 PolarHBondContact N-OE2 3.35Å; T367-E370 PolarHBondContact O-N 2.78Å; T367-E370 WeakPolarHBondContact OG1-CG 3.45Å; T367-E370 PolarHBondContact OG1-OE2 3.1Å; T367-F371 WeakPolarHBondContact O-CB 3.32Å; T367-F371 PolarHBondContact O-N 3.43Å |
| 368 | C | 86.9 | Confident | 86.8 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -31.7 | 177.1 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | F321 C372 | F321-C368 HydrophobicContact CD1-CB 3.61Å; F321-C368 HydrophobicContact CD2-CB 4.39Å; F321-C368 HydrophobicContact CE1-CB 3.63Å; F321-C368 HydrophobicContact CE2-CB 4.4Å; F321-C368 HydrophobicContact CG-CB 4.01Å; F321-C368 HydrophobicContact CZ-CB 4.04Å; C368-C372 PolarHBondContact O-N 3.17Å; C368-C372 PolarHBondContact O-SG 3.18Å |
| 369 | E | 84.6 | Confident | 86.7 | Confident | 117 Ų | 117 | 39.9 Ų | 39.9 | 55% | 0.547 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -80 | -38.6 | -178 | -52.8 | -142.6 | 103.1 | 0 | 0 | 111.4 | K314 T367 C372 L373 | K314-E369 IonicContact NZ-OE1 2.72Å; K314-E369 PolarHBondContact NZ-OE1 2.83Å; T367-E369 PolarHBondContact O-N 2.7Å; E369-C372 CarbonylContact O-C 3.52Å; E369-C372 WeakPolarHBondContact O-CA 3.16Å; E369-C372 WeakPolarHBondContact O-CB 3.34Å; E369-C372 PolarHBondContact O-N 2.95Å; E369-C372 VanDerWaalsContact O-N 3.14Å; E369-L373 PolarHBondContact O-N 2.83Å |
| 370 | E | 90.2 | Very high | 86.5 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -36.6 | 175.2 | -68.1 | 170.8 | 124.2 | 0 | 0 | 112.1 | S358 L360 L366 T367 C372 L373 A374 | S358-E370 WeakPolarHBondContact O-CB 3.41Å; S358-E370 WeakPolarHBondContact O-CG 3.32Å; L360-E370 WeakPolarHBondContact CB-OE1 3.34Å; L360-E370 HydrophobicContact CD1-CG 4.38Å; L360-E370 HydrophobicContact CG-CG 4.25Å; L360-E370 PolarHBondContact N-OE1 3.36Å; L366-E370 HydrophobicContact CB-CB 4.12Å; L366-E370 HydrophobicContact CD2-CB 3.83Å; T367-E370 VanDerWaalsContact CB-OE2 3.25Å; T367-E370 WeakPolarHBondContact CB-OE2 3.49Å; T367-E370 VanDerWaalsContact CG2-OE2 3.25Å; T367-E370 WeakPolarHBondContact CG2-OE2 3.31Å; T367-E370 PolarHBondContact N-OE2 3.35Å; T367-E370 PolarHBondContact O-N 2.78Å; T367-E370 WeakPolarHBondContact OG1-CG 3.45Å; T367-E370 PolarHBondContact OG1-OE2 3.1Å; E370-C372 VanDerWaalsContact C-N 3.31Å; E370-C372 PolarHBondContact O-N 2.99Å; E370-L373 WeakPolarHBondContact O-CB 3.12Å; E370-L373 PolarHBondContact O-N 3.01Å; E370-A374 WeakPolarHBondContact O-CB 3.36Å; E370-A374 PolarHBondContact O-N 2.85Å |
| 371 | F | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 168.9 | -176.9 | -94 | 0 | 0 | 0 | 112 | Y317 M320 F321 L324 L332 I340 F341 L366 T367 M375 | Y317-F371 WeakPolarHBondContact O-CE1 3.35Å; M320-F371 HydrophobicContact CB-CE1 3.91Å; M320-F371 HydrophobicContact CB-CZ 4.21Å; F321-F371 HydrophobicContact CB-CD1 3.76Å; F321-F371 HydrophobicContact CB-CE1 4.18Å; F321-F371 HydrophobicContact CB-CG 4.35Å; F321-F371 HydrophobicContact CD2-CB 3.61Å; F321-F371 HydrophobicContact CD2-CD1 4.08Å; F321-F371 HydrophobicContact CD2-CD2 4.42Å; F321-F371 AromaticContact CD2-CG 3.79Å; F321-F371 HydrophobicContact CD2-CG 3.79Å; F321-F371 HydrophobicContact CE2-CB 4.21Å; F321-F371 HydrophobicContact CG-CD1 4.42Å; L324-F371 HydrophobicContact CD1-CE2 4Å; L324-F371 HydrophobicContact CD1-CZ 3.7Å; L332-F371 HydrophobicContact CD1-CD2 3.49Å; L332-F371 VanDerWaalsContact CD1-CD2 3.49Å; L332-F371 HydrophobicContact CD1-CE2 3.75Å; L332-F371 HydrophobicContact CD1-CG 4.12Å; I340-F371 HydrophobicContact CG2-CE2 4.45Å; I340-F371 HydrophobicContact CG2-CZ 4.32Å; F341-F371 HydrophobicContact CE1-CD2 4.3Å; F341-F371 HydrophobicContact CE1-CE2 4.05Å; L366-F371 HydrophobicContact CB-CB 4.36Å; T367-F371 WeakPolarHBondContact O-CB 3.32Å; T367-F371 PolarHBondContact O-N 3.43Å; F371-M375 HydrophobicContact CD1-CG 4.07Å; F371-M375 HydrophobicContact CE1-CG 3.62Å; F371-M375 HydrophobicContact CE2-CG 4.44Å; F371-M375 HydrophobicContact CZ-CG 3.84Å; F371-M375 HydrophobicContact CZ-SD 4.2Å; F371-M375 VanDerWaalsContact O-CB 3.32Å; F371-M375 WeakPolarHBondContact O-CB 3.5Å; F371-M375 WeakPolarHBondContact O-CG 3.36Å; F371-M375 PolarHBondContact O-N 3.27Å |
| 372 | C | 88.1 | Confident | 86.9 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68 | -35.8 | 172.8 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | Y317 C368 E369 E370 S376 | Y317-C372 VanDerWaalsContact CB-SG 3.57Å; Y317-C372 HydrophobicContact CD2-CB 4.22Å; C368-C372 PolarHBondContact O-N 3.17Å; C368-C372 PolarHBondContact O-SG 3.18Å; E369-C372 CarbonylContact O-C 3.52Å; E369-C372 WeakPolarHBondContact O-CA 3.16Å; E369-C372 WeakPolarHBondContact O-CB 3.34Å; E369-C372 PolarHBondContact O-N 2.95Å; E369-C372 VanDerWaalsContact O-N 3.14Å; E370-C372 VanDerWaalsContact C-N 3.31Å; E370-C372 PolarHBondContact O-N 2.99Å; C372-S376 WeakPolarHBondContact O-CB 3.47Å; C372-S376 PolarHBondContact O-N 3.5Å; C372-S376 PolarHBondContact O-OG 3.48Å |
| 373 | L | 86.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -52.8 | 171 | -88.3 | 152.7 | 0 | 0 | 0 | 110.9 | L360 E369 E370 M375 S376 Y377 | L360-L373 HydrophobicContact CD1-CD1 3.78Å; L360-L373 HydrophobicContact CG-CD1 4.4Å; E369-L373 PolarHBondContact O-N 2.83Å; E370-L373 WeakPolarHBondContact O-CB 3.12Å; E370-L373 PolarHBondContact O-N 3.01Å; L373-M375 VanDerWaalsContact C-N 3.33Å; L373-M375 PolarHBondContact O-N 3.4Å; L373-S376 CarbonylContact O-C 3.48Å; L373-S376 WeakPolarHBondContact O-CA 3.49Å; L373-S376 WeakPolarHBondContact O-CB 3.46Å; L373-S376 PolarHBondContact O-N 3.39Å; L373-S376 PolarHBondContact O-OG 3.31Å; L373-Y377 HydrophobicContact CD2-CE2 4.27Å; L373-Y377 WeakPolarHBondContact O-CD2 3.43Å; L373-Y377 PolarHBondContact O-N 2.98Å |
| 374 | A | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F341 I354 S358 L366 E370 S376 Y377 I378 | F341-A374 HydrophobicContact CE1-CB 4.08Å; F341-A374 HydrophobicContact CE2-CB 4.16Å; F341-A374 HydrophobicContact CZ-CB 3.41Å; F341-A374 VanDerWaalsContact CZ-CB 3.41Å; I354-A374 HydrophobicContact CG2-CB 4.01Å; S358-A374 WeakPolarHBondContact OG-CA 3.46Å; S358-A374 WeakPolarHBondContact OG-CB 3.28Å; S358-A374 PolarHBondContact OG-N 3.4Å; L366-A374 HydrophobicContact CD1-CB 4.29Å; E370-A374 WeakPolarHBondContact O-CB 3.36Å; E370-A374 PolarHBondContact O-N 2.85Å; A374-S376 VanDerWaalsContact C-N 3.31Å; A374-S376 PolarHBondContact O-N 2.9Å; A374-Y377 PolarHBondContact O-N 2.75Å; A374-I378 WeakPolarHBondContact O-CG1 3.26Å; A374-I378 PolarHBondContact O-N 3.5Å |
| 375 | M | 90.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 174.8 | -79.5 | -54.6 | -38.2 | 0 | 0 | 112.9 | Y317 M320 F344 F371 L373 I378 D379 | Y317-M375 HydrophobicContact CD1-CB 3.65Å; Y317-M375 HydrophobicContact CD1-CE 4.33Å; Y317-M375 HydrophobicContact CD1-CG 4.09Å; Y317-M375 HydrophobicContact CD2-CB 3.6Å; Y317-M375 HydrophobicContact CE1-CB 3.86Å; Y317-M375 HydrophobicContact CE1-CE 4.11Å; Y317-M375 HydrophobicContact CE2-CB 3.8Å; Y317-M375 HydrophobicContact CG-CB 3.53Å; Y317-M375 HydrophobicContact CG-CG 4.13Å; M320-M375 HydrophobicContact CE-CE 4.11Å; M320-M375 HydrophobicContact CE-SD 4.35Å; F344-M375 HydrophobicContact CE1-CE 3.82Å; F344-M375 HydrophobicContact CE2-CE 3.94Å; F344-M375 HydrophobicContact CE2-SD 3.84Å; F344-M375 HydrophobicContact CZ-CE 3.41Å; F344-M375 VanDerWaalsContact CZ-CE 3.41Å; F344-M375 HydrophobicContact CZ-SD 3.88Å; F371-M375 HydrophobicContact CD1-CG 4.07Å; F371-M375 HydrophobicContact CE1-CG 3.62Å; F371-M375 HydrophobicContact CE2-CG 4.44Å; F371-M375 HydrophobicContact CZ-CG 3.84Å; F371-M375 HydrophobicContact CZ-SD 4.2Å; F371-M375 VanDerWaalsContact O-CB 3.32Å; F371-M375 WeakPolarHBondContact O-CB 3.5Å; F371-M375 WeakPolarHBondContact O-CG 3.36Å; F371-M375 PolarHBondContact O-N 3.27Å; L373-M375 VanDerWaalsContact C-N 3.33Å; L373-M375 PolarHBondContact O-N 3.4Å; M375-I378 HydrophobicContact CE-CB 4.44Å; M375-I378 HydrophobicContact CE-CG2 4.27Å; M375-I378 PolarHBondContact O-N 2.72Å; M375-I378 HydrophobicContact SD-CD1 4.08Å; M375-D379 PolarHBondContact O-N 3.39Å; M375-D379 VanDerWaalsContact O-N 3.07Å |
| 376 | S | 84 | Confident | 86.2 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.2 | -36.8 | 173.4 | 74 | 0 | 0 | 0 | 0 | 112.8 | Q310 C372 L373 A374 S380 | Q310-S376 PolarHBondContact NE2-OG 3.06Å; C372-S376 WeakPolarHBondContact O-CB 3.47Å; C372-S376 PolarHBondContact O-N 3.5Å; C372-S376 PolarHBondContact O-OG 3.48Å; L373-S376 CarbonylContact O-C 3.48Å; L373-S376 WeakPolarHBondContact O-CA 3.49Å; L373-S376 WeakPolarHBondContact O-CB 3.46Å; L373-S376 PolarHBondContact O-N 3.39Å; L373-S376 PolarHBondContact O-OG 3.31Å; A374-S376 VanDerWaalsContact C-N 3.31Å; A374-S376 PolarHBondContact O-N 2.9Å; S376-S380 WeakPolarHBondContact O-CB 3.12Å; S376-S380 PolarHBondContact O-N 2.85Å; S376-S380 PolarHBondContact O-OG 3.16Å; S376-S380 VanDerWaalsContact O-OG 3.07Å |
| 377 | Y | 89.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -36.5 | 173.7 | -70.8 | -53.7 | 0 | 0 | 0 | 112.5 | L357 L373 A374 V381 L387 P388 L392 | L357-Y377 HydrophobicContact CB-CD2 4.09Å; L357-Y377 HydrophobicContact CB-CE2 3.66Å; L357-Y377 HydrophobicContact CD1-CE1 4.42Å; L357-Y377 HydrophobicContact CD1-CE2 4.43Å; L373-Y377 HydrophobicContact CD2-CE2 4.27Å; L373-Y377 WeakPolarHBondContact O-CD2 3.43Å; L373-Y377 PolarHBondContact O-N 2.98Å; A374-Y377 PolarHBondContact O-N 2.75Å; Y377-V381 WeakPolarHBondContact O-CB 3.29Å; Y377-V381 VanDerWaalsContact O-CG2 3.29Å; Y377-V381 WeakPolarHBondContact O-CG2 3.49Å; Y377-V381 PolarHBondContact O-N 3.01Å; Y377-L387 HydrophobicContact CD1-CD2 4.13Å; Y377-L387 HydrophobicContact CG-CD2 4.24Å; Y377-P388 HydrophobicContact CE1-CG 3.72Å; Y377-L392 HydrophobicContact CE1-CD1 4.21Å; Y377-L392 WeakPolarHBondContact OH-CD1 3.41Å; Y377-L392 WeakPolarHBondContact OH-CG 3.36Å |
| 378 | I | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -50.5 | 173.6 | -74.5 | 171.7 | 0 | 0 | 0 | 110.9 | F341 F344 L346 I354 A374 M375 V381 K382 | F341-I378 HydrophobicContact CD1-CD1 3.61Å; F341-I378 HydrophobicContact CE1-CD1 3.95Å; F341-I378 HydrophobicContact CG-CD1 4.03Å; F344-I378 HydrophobicContact CB-CG2 3.69Å; F344-I378 HydrophobicContact CD1-CG2 3.39Å; F344-I378 HydrophobicContact CD2-CD1 4.02Å; F344-I378 HydrophobicContact CD2-CG2 3.92Å; F344-I378 HydrophobicContact CE1-CG2 4.01Å; F344-I378 HydrophobicContact CE2-CD1 4.43Å; F344-I378 HydrophobicContact CE2-CG2 4.45Å; F344-I378 HydrophobicContact CG-CD1 4.47Å; F344-I378 HydrophobicContact CG-CG2 3.36Å; L346-I378 HydrophobicContact CD1-CG1 4.34Å; L346-I378 HydrophobicContact CD1-CG2 4.42Å; I354-I378 HydrophobicContact CD1-CG1 3.79Å; I354-I378 HydrophobicContact CG2-CG1 4.18Å; A374-I378 WeakPolarHBondContact O-CG1 3.26Å; A374-I378 PolarHBondContact O-N 3.5Å; M375-I378 HydrophobicContact CE-CB 4.44Å; M375-I378 HydrophobicContact CE-CG2 4.27Å; M375-I378 PolarHBondContact O-N 2.72Å; M375-I378 HydrophobicContact SD-CD1 4.08Å; I378-V381 PolarHBondContact O-N 3.4Å; I378-K382 PolarHBondContact O-N 3.18Å |
| 379 | D | 87.8 | Confident | 84.4 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.2 | -38.6 | -179.2 | -78.9 | 3.4 | 0 | 0 | 0 | 110.8 | Y317 M375 V381 K382 D383 | Y317-D379 PolarHBondContact OH-OD2 2.88Å; Y317-D379 VanDerWaalsContact OH-OD2 3.06Å; M375-D379 PolarHBondContact O-N 3.39Å; M375-D379 VanDerWaalsContact O-N 3.07Å; D379-V381 PolarHBondContact O-N 3.29Å; D379-K382 WeakPolarHBondContact O-CB 3.38Å; D379-K382 PolarHBondContact O-N 3.07Å; D379-K382 VanDerWaalsContact O-N 3.09Å; D379-D383 PolarHBondContact O-N 3.05Å |
| 380 | S | 82.2 | Confident | 83.3 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 172.4 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | H306 S376 K382 D383 G384 E385 | H306-S380 PolarHBondContact NE2-OG 3.02Å; S376-S380 WeakPolarHBondContact O-CB 3.12Å; S376-S380 PolarHBondContact O-N 2.85Å; S376-S380 PolarHBondContact O-OG 3.16Å; S376-S380 VanDerWaalsContact O-OG 3.07Å; S380-K382 VanDerWaalsContact C-N 3.34Å; S380-D383 PolarHBondContact O-N 3.32Å; S380-G384 PolarHBondContact O-N 3.03Å; S380-E385 WeakPolarHBondContact O-CB 3.18Å; S380-E385 PolarHBondContact O-N 3.46Å |
| 381 | V | 86.9 | Confident | 81.8 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.1 | -33.2 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | L346 V350 I354 Y377 I378 D379 G384 L387 | L346-V381 HydrophobicContact CD1-CB 4.2Å; L346-V381 HydrophobicContact CD1-CG1 3.93Å; L346-V381 HydrophobicContact CD2-CG1 3.67Å; L346-V381 HydrophobicContact CG-CG1 4.45Å; V350-V381 HydrophobicContact CG1-CG1 4.19Å; I354-V381 HydrophobicContact CD1-CG2 4.45Å; Y377-V381 WeakPolarHBondContact O-CB 3.29Å; Y377-V381 VanDerWaalsContact O-CG2 3.29Å; Y377-V381 WeakPolarHBondContact O-CG2 3.49Å; Y377-V381 PolarHBondContact O-N 3.01Å; I378-V381 PolarHBondContact O-N 3.4Å; D379-V381 PolarHBondContact O-N 3.29Å; V381-G384 PolarHBondContact O-N 3.24Å; V381-G384 VanDerWaalsContact O-N 3.14Å; V381-L387 HydrophobicContact CG2-CD1 4.07Å; V381-L387 HydrophobicContact CG2-CD2 3.41Å; V381-L387 VanDerWaalsContact CG2-CD2 3.41Å; V381-L387 HydrophobicContact CG2-CG 3.46Å; V381-L387 VanDerWaalsContact CG2-CG 3.46Å |
| 382 | K | 84.8 | Confident | 80.1 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 172.8 | -75.2 | -167.4 | 169 | -157.9 | 0 | 113.2 | F344 I378 D379 S380 G384 | F344-K382 HydrophobicContact CD1-CD 4.43Å; F344-K382 WeakPolarHBondContact O-CE 3.1Å; F344-K382 PolarHBondContact O-NZ 3.11Å; I378-K382 PolarHBondContact O-N 3.18Å; D379-K382 WeakPolarHBondContact O-CB 3.38Å; D379-K382 PolarHBondContact O-N 3.07Å; D379-K382 VanDerWaalsContact O-N 3.09Å; S380-K382 VanDerWaalsContact C-N 3.34Å; K382-G384 PolarHBondContact O-N 2.92Å |
| 383 | D | 84.4 | Confident | 78.2 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6 | 170.2 | -71 | -11.9 | 0 | 0 | 0 | 112.6 | R309 D379 S380 | R309-D383 IonicContact NH1-OD2 2.69Å; R309-D383 PolarHBondContact NH1-OD2 2.98Å; D379-D383 PolarHBondContact O-N 3.05Å; S380-D383 PolarHBondContact O-N 3.32Å |
| 384 | G | 81.8 | Confident | 75.9 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 8.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S380 V381 K382 | S380-G384 PolarHBondContact O-N 3.03Å; V381-G384 PolarHBondContact O-N 3.24Å; V381-G384 VanDerWaalsContact O-N 3.14Å; K382-G384 PolarHBondContact O-N 2.92Å |
| 385 | E | 76.9 | Confident | 73.2 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 145.4 | 172.7 | -63.3 | -173.7 | -145.6 | 0 | 0 | 111.2 | R309 S380 | R309-E385 IonicContact CZ-OE1 3.19Å; R309-E385 IonicContact NH1-OE1 3.98Å; R309-E385 PolarHBondContact NH1-OE1 3.3Å; R309-E385 IonicContact NH2-OE1 3.29Å; R309-E385 PolarHBondContact NH2-OE1 2.98Å; R309-E385 IonicContact NH2-OE2 2.77Å; S380-E385 WeakPolarHBondContact O-CB 3.18Å; S380-E385 PolarHBondContact O-N 3.46Å |
| 386 | K | 78 | Confident | 70.5 | Confident | 203 Ų | 203 | 70 Ų | 70 | 88% | 0.883 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 135.7 | 177.7 | -65.1 | -174.3 | 179.6 | -176.4 | 0 | 110.2 | ||
| 387 | L | 78.9 | Confident | 68 | Low | 40 Ų | 40 | 74.7 Ų | 74.7 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 140.4 | 172.4 | -68.6 | 171.7 | 0 | 0 | 0 | 111.1 | V350 H353 I354 L357 Y377 V381 | V350-L387 HydrophobicContact CG1-CD1 4.02Å; H353-L387 HydrophobicContact CB-CD1 4.24Å; I354-L387 HydrophobicContact CD1-CD1 4.27Å; I354-L387 HydrophobicContact CD1-CD2 4.27Å; I354-L387 HydrophobicContact CG1-CD1 3.69Å; I354-L387 HydrophobicContact CG1-CD2 3.71Å; I354-L387 HydrophobicContact CG1-CG 4.37Å; L357-L387 HydrophobicContact CD1-CB 4.1Å; L357-L387 HydrophobicContact CD1-CD2 4.09Å; Y377-L387 HydrophobicContact CD1-CD2 4.13Å; Y377-L387 HydrophobicContact CG-CD2 4.24Å; V381-L387 HydrophobicContact CG2-CD1 4.07Å; V381-L387 HydrophobicContact CG2-CD2 3.41Å; V381-L387 VanDerWaalsContact CG2-CD2 3.41Å; V381-L387 HydrophobicContact CG2-CG 3.46Å; V381-L387 VanDerWaalsContact CG2-CG 3.46Å |
| 388 | P | 75.1 | Confident | 65.3 | Low | 44 Ų | 44 | 81.4 Ų | 81.4 | 29% | 0.286 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 155.1 | 171.6 | 29.9 | -34.8 | 0 | 0 | 0 | 110.8 | H353 L357 Y377 V390 | H353-P388 PolarHBondContact NE2-O 2.84Å; L357-P388 HydrophobicContact CD1-CG 3.84Å; L357-P388 HydrophobicContact CD2-CG 4.19Å; Y377-P388 HydrophobicContact CE1-CG 3.72Å; P388-V390 VanDerWaalsContact C-N 3.28Å |
| 389 | S | 71.7 | Confident | 62.5 | Low | 105 Ų | 105 | 84.9 Ų | 84.9 | 73% | 0.734 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -82.5 | -4.8 | 175 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 390 | V | 60.1 | Low | 59.8 | Low | 91 Ų | 91 | 94.7 Ų | 94.7 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -142.9 | 140.9 | -175.2 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | L357 P388 | L357-V390 VanDerWaalsContact CD2-C 3.45Å; P388-V390 VanDerWaalsContact C-N 3.28Å |
| 391 | P | 60.1 | Low | 57.3 | Low | 32 Ų | 32 | 101.4 Ų | 101.4 | 21% | 0.208 | 58% | 0.581 | C | S | . | * | trans | -57.6 | 149.1 | 173.9 | -23.3 | 32.7 | 0 | 0 | 0 | 113.3 | L357 L360 T393 | L357-P391 HydrophobicContact CD2-CG 4.24Å; L360-P391 HydrophobicContact CD2-CB 3.99Å; P391-T393 VanDerWaalsContact C-N 3.29Å; P391-T393 PolarHBondContact O-N 3.34Å; P391-T393 PolarHBondContact O-OG1 2.88Å; P391-T393 VanDerWaalsContact O-OG1 3.13Å | ||
| 392 | L | 55 | Low | 54.6 | Low | 68 Ų | 68 | 111.1 Ų | 111.1 | 36% | 0.356 | 61% | 0.614 | S | S | . | * | trans | -80 | 72.5 | 176.3 | -73.3 | 171.8 | 0 | 0 | 0 | 111.5 | Y377 D394 | Y377-L392 HydrophobicContact CE1-CD1 4.21Å; Y377-L392 WeakPolarHBondContact OH-CD1 3.41Å; Y377-L392 WeakPolarHBondContact OH-CG 3.36Å; L392-D394 PolarHBondContact O-N 3.18Å | ||
| 393 | T | 46.4 | Very low | 52.1 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 9.6 | -168.2 | -18.8 | 0 | 0 | 0 | 0 | 117.1 | P391 | P391-T393 VanDerWaalsContact C-N 3.29Å; P391-T393 PolarHBondContact O-N 3.34Å; P391-T393 PolarHBondContact O-OG1 2.88Å; P391-T393 VanDerWaalsContact O-OG1 3.13Å |
| 394 | D | 38.7 | Very low | 49.7 | Very low | 154 Ų | 154 | 118.7 Ų | 118.7 | 82% | 0.824 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 1.2 | -172.3 | -107 | -20.1 | 0 | 0 | 0 | 114.7 | L392 A396 | L392-D394 PolarHBondContact O-N 3.18Å; D394-A396 VanDerWaalsContact C-N 3.33Å; D394-A396 PolarHBondContact O-N 2.86Å |
| 395 | L | 34.6 | Very low | 47.2 | Very low | 82 Ų | 82 | 121 Ų | 121 | 43% | 0.429 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | 22.2 | -165.5 | -144 | 74.9 | 0 | 0 | 0 | 116 | L307 | L307-L395 HydrophobicContact CD2-CD1 4.19Å; L307-L395 HydrophobicContact CG-CD1 4.32Å |
| 396 | A | 33.8 | Very low | 45.1 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -4.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D394 | D394-A396 VanDerWaalsContact C-N 3.33Å; D394-A396 PolarHBondContact O-N 2.86Å |
| 397 | T | 32.2 | Very low | 42.8 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 64% | 0.644 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -118.4 | 10.6 | -157.9 | -30.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 398 | V | 32.4 | Very low | 40.4 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 87% | 0.873 | 70% | 0.703 | S | S | * | * | trans | -121.3 | 53.1 | -173.3 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 399 | G | 30.8 | Very low | 38.3 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | -116.6 | 13.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 400 | R | 31.7 | Very low | 36.4 | Very low | 242 Ų | 242 | 127.1 Ų | 127.1 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | trans | -142.5 | 41.6 | -172.9 | -64.2 | -167.2 | -174.7 | -135.9 | 1.3 | 116.8 | ||||
| 401 | L | 29.6 | Very low | 35.1 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -139.6 | 99.3 | 171.6 | -77.1 | 178.4 | 0 | 0 | 0 | 114.1 | ||||
| 402 | R | 30 | Very low | 33.8 | Very low | 236 Ų | 236 | 133.6 Ų | 133.6 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | 144.6 | 110.2 | 136 | -81.6 | 173.9 | 170.1 | 170.8 | -3.1 | 113.9 | ||||
| 403 | H | 32.6 | Very low | 32.8 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | -135.2 | 99.6 | 148.7 | -99.3 | -72.2 | 0 | 0 | 0 | 108.1 | ||||
| 404 | Q | 32.8 | Very low | 32.3 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 167.5 | 106.7 | 169.9 | -96.7 | 161.8 | 28.5 | 0 | 0 | 103.8 | ||||
| 405 | S | 30.6 | Very low | 32 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 73.9 | 102.2 | 42 | -170 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 406 | L | 31.8 | Very low | 31.8 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | 169.5 | 142.6 | 142.7 | -92.6 | 159.2 | 0 | 0 | 0 | 111.7 | ||||
| 407 | G | 30.7 | Very low | 31.8 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 74.6 | 122.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 408 | S | 28.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | cis | 60.4 | 118.9 | 45.1 | -155.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 409 | T | 31.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | cis | -140.3 | 161.1 | 41.1 | 48.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 410 | S | 30 | Very low | 31.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 22 | 148.2 | 122.4 | -129.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 411 | V | 33.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | cis | -155.7 | 151.7 | 27 | -146.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 412 | D | 32.3 | Very low | 31.9 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 53.9 | 175.4 | 150.5 | -74.6 | 9.3 | 0 | 0 | 0 | 120.1 | ||||
| 413 | S | 34.8 | Very low | 32 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | cis | -172.6 | 156.4 | -38.5 | -86.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 414 | A | 35.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 124 Ų | 124 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | cis | -165.3 | -171.8 | -14.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 415 | E | 32.7 | Very low | 32.4 | Very low | 200 Ų | 200 | 119.2 Ų | 119.2 | 94% | 0.935 | 72% | 0.717 | S | S | * | * | trans | 67.7 | 151 | 166.7 | -63.9 | 161.6 | -152.2 | 0 | 0 | 117.9 | ||||
| 416 | G | 31.3 | Very low | 32.6 | Very low | 60 Ų | 60 | 119.3 Ų | 119.3 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | cis | 174.8 | 162.2 | -8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 417 | S | 32.2 | Very low | 32.8 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | 56.9 | 113.8 | 166.8 | 39.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 418 | T | 30.1 | Very low | 33 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | 64.7 | 139.2 | 81.1 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 419 | E | 31.9 | Very low | 33.3 | Very low | 180 Ų | 180 | 117.7 Ų | 117.7 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | cis | -143.5 | 164.4 | 41.8 | -69.5 | 178.6 | 139 | 0 | 0 | 116.9 | ||||
| 420 | S | 31.9 | Very low | 33.6 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -46.3 | 165.9 | 166 | 41.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 421 | T | 32.3 | Very low | 34.6 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | -168.1 | 125.8 | 55.8 | -50.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 422 | E | 33.5 | Very low | 35.1 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | 79.4 | 160.2 | 72.9 | -98.5 | -86.7 | -171.2 | 0 | 0 | 116.3 | |||||
| 423 | E | 32.2 | Very low | 35.7 | Very low | 141 Ų | 141 | 117 Ų | 117 | 66% | 0.659 | 65% | 0.651 | S | S | * | * | trans | 78.8 | 137.4 | 178.8 | -61.1 | -142.9 | 153.7 | 0 | 0 | 120.6 | ||||
| 424 | F | 34.4 | Very low | 36 | Very low | 94 Ų | 94 | 117 Ų | 117 | 41% | 0.412 | 64% | 0.643 | S | S | . | * | cis | -166.2 | 133.2 | -17.1 | -133.4 | -152.7 | 0 | 0 | 0 | 114.7 | F440 | F424-F440 AromaticContact CE2-CD1 3.98Å; F424-F440 HydrophobicContact CE2-CD1 3.98Å; F424-F440 AromaticContact CE2-CE1 3.51Å; F424-F440 HydrophobicContact CE2-CE1 3.51Å; F424-F440 HydrophobicContact CE2-CE2 4.3Å; F424-F440 AromaticContact CE2-CZ 3.68Å; F424-F440 HydrophobicContact CE2-CZ 3.68Å; F424-F440 AromaticContact CZ-CD1 3.76Å; F424-F440 HydrophobicContact CZ-CD1 3.76Å; F424-F440 AromaticContact CZ-CE1 3.63Å; F424-F440 HydrophobicContact CZ-CE1 3.63Å; F424-F440 HydrophobicContact CZ-CZ 4.28Å | ||
| 425 | K | 39.3 | Very low | 36.9 | Very low | 85 Ų | 85 | 118.2 Ų | 118.2 | 37% | 0.37 | 63% | 0.633 | S | S | . | * | trans | 57.2 | -175.2 | 142.1 | -74.2 | 177.1 | -166.1 | 158.5 | 0 | 118 | F440 G443 | K425-F440 VanDerWaalsContact NZ-CB 3.3Å; K425-G443 PolarHBondContact NZ-O 2.94Å | ||
| 426 | P | 35.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | cis | -103 | 154.7 | -12 | 5.7 | 19.5 | 0 | 0 | 0 | 114.2 | ||||
| 427 | R | 35 | Very low | 38.3 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 46% | 0.464 | 60% | 0.603 | S | S | . | * | 51 | 125.6 | 91.7 | -53.6 | 176.8 | 171.9 | 170.3 | -1.6 | 112.7 | N439 K442 | R427-N439 PolarHBondContact NE-OD1 2.99Å; R427-N439 PolarHBondContact NH2-O 3.18Å; R427-N439 PolarHBondContact NH2-OD1 2.98Å; R427-K442 PolarHBondContact NH1-O 2.92Å; R427-K442 PolarHBondContact NH2-O 3.05Å | |||
| 428 | V | 35.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 80% | 0.8 | 58% | 0.584 | S | S | * | * | -143.2 | 142.7 | 70.8 | 176.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 429 | A | 34.5 | Very low | 40.1 | Very low | 74 Ų | 74 | 111 Ų | 111 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 49.1 | 142.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 430 | K | 37.6 | Very low | 40.9 | Very low | 189 Ų | 189 | 104.2 Ų | 104.2 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | S | Bend | cis | -91.1 | 90.9 | -33.7 | -73.5 | 177.5 | 179.6 | 174 | 0 | 105.2 | K435 | K430-K435 VanDerWaalsContact O-CD 3.26Å; K430-K435 WeakPolarHBondContact O-CD 3.37Å; K430-K435 PolarHBondContact O-NZ 2.83Å |
| 431 | T | 51.5 | Low | 41.5 | Very low | 49 Ų | 49 | 100.4 Ų | 100.4 | 30% | 0.301 | 49% | 0.491 | S | S | . | . | trans | -103.8 | 139.9 | -159.3 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | K435 N439 | T431-K435 CarbonylContact C-O 3.39Å; T431-N439 PolarHBondContact O-ND2 2.88Å | ||
| 432 | F | 43.6 | Very low | 42.7 | Very low | 121 Ų | 121 | 100 Ų | 100 | 53% | 0.531 | 48% | 0.479 | S | S | . | . | cis | -142.8 | -55.6 | -15.6 | -175.3 | -113.9 | 0 | 0 | 0 | 118.4 | K435 R436 | F432-K435 VanDerWaalsContact N-C 3.27Å; F432-K435 PolarHBondContact N-O 2.79Å; F432-K435 WeakPolarHBondContact O-CE 2.96Å; F432-K435 WeakPolarHBondContact O-CG 3.49Å; F432-R436 HydrophobicContact CB-CB 4.31Å; F432-R436 HydrophobicContact CB-CG 4.37Å | ||
| 433 | E | 45 | Very low | 43.7 | Very low | 109 Ų | 109 | 94.1 Ų | 94.1 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -84.8 | -84 | -175.2 | -74.5 | 153.8 | 172.8 | 0 | 0 | 111.7 | K435 R436 | E433-K435 VanDerWaalsContact C-CA 3.46Å; E433-K435 WeakPolarHBondContact O-CG 3.04Å; E433-R436 HydrophobicContact CB-CB 4.48Å; E433-R436 HydrophobicContact CB-CG 3.97Å; E433-R436 HydrophobicContact CG-CG 4Å; E433-R436 IonicContact OE1-CZ 2.65Å; E433-R436 VanDerWaalsContact OE1-CZ 3.26Å; E433-R436 IonicContact OE1-NE 3.87Å; E433-R436 PolarHBondContact OE1-NE 3.48Å; E433-R436 IonicContact OE1-NH2 2.85Å; E433-R436 PolarHBondContact OE1-NH2 2.77Å; E433-R436 WeakPolarHBondContact OE2-CG 3.15Å; E433-R436 IonicContact OE2-CZ 3.35Å; E433-R436 IonicContact OE2-NE 3.23Å; E433-R436 PolarHBondContact OE2-NE 2.75Å; E433-R436 IonicContact OE2-NH2 2.64Å |
| 434 | D | 41.2 | Very low | 44.5 | Very low | 103 Ų | 103 | 92.2 Ų | 92.2 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -85.5 | -15.6 | 175.7 | 59.1 | -83.7 | 0 | 0 | 0 | 120 | R436 R437 E438 | D434-R436 VanDerWaalsContact N-N 3.18Å; D434-R436 VanDerWaalsContact OD1-C 3.25Å; D434-R436 WeakPolarHBondContact OD1-CA 3.31Å; D434-R436 PolarHBondContact OD1-N 3.29Å; D434-R436 PolarHBondContact OD2-N 2.84Å; D434-R436 VanDerWaalsContact OD2-N 3.15Å; D434-R437 VanDerWaalsContact CG-N 3.31Å; D434-R437 WeakPolarHBondContact OD1-CA 3.06Å; D434-R437 PolarHBondContact OD1-N 3.46Å; D434-R437 WeakPolarHBondContact OD2-CA 3.41Å; D434-R437 PolarHBondContact OD2-N 2.87Å; D434-E438 VanDerWaalsContact OD2-CA 3.25Å; D434-E438 WeakPolarHBondContact OD2-CA 3.38Å; D434-E438 PolarHBondContact OD2-N 2.91Å |
| 435 | K | 53.2 | Low | 45 | Very low | 106 Ų | 106 | 90.2 Ų | 90.2 | 46% | 0.461 | 45% | 0.448 | S | S | . | . | S | Bend | cis | -113.1 | 67.7 | 32.5 | -89.7 | -155.2 | 157.9 | -168.9 | 0 | 115.7 | K430 T431 F432 E433 E438 N439 | K430-K435 VanDerWaalsContact O-CD 3.26Å; K430-K435 WeakPolarHBondContact O-CD 3.37Å; K430-K435 PolarHBondContact O-NZ 2.83Å; T431-K435 CarbonylContact C-O 3.39Å; F432-K435 VanDerWaalsContact N-C 3.27Å; F432-K435 PolarHBondContact N-O 2.79Å; F432-K435 WeakPolarHBondContact O-CE 2.96Å; F432-K435 WeakPolarHBondContact O-CG 3.49Å; E433-K435 VanDerWaalsContact C-CA 3.46Å; E433-K435 WeakPolarHBondContact O-CG 3.04Å; K435-E438 CarbonylContact C-O 3.05Å; K435-E438 WeakPolarHBondContact CA-O 3.18Å; K435-E438 PolarHBondContact N-O 3Å; K435-N439 PolarHBondContact O-ND2 2.85Å |
| 436 | R | 49.9 | Very low | 45.3 | Very low | 125 Ų | 125 | 87.8 Ų | 87.8 | 47% | 0.472 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 102 | 9.2 | 164.5 | -124.5 | -168.9 | -179.6 | 172.9 | 2.9 | 118.5 | F432 E433 D434 E438 N439 F440 | F432-R436 HydrophobicContact CB-CB 4.31Å; F432-R436 HydrophobicContact CB-CG 4.37Å; E433-R436 HydrophobicContact CB-CB 4.48Å; E433-R436 HydrophobicContact CB-CG 3.97Å; E433-R436 HydrophobicContact CG-CG 4Å; E433-R436 IonicContact OE1-CZ 2.65Å; E433-R436 VanDerWaalsContact OE1-CZ 3.26Å; E433-R436 IonicContact OE1-NE 3.87Å; E433-R436 PolarHBondContact OE1-NE 3.48Å; E433-R436 IonicContact OE1-NH2 2.85Å; E433-R436 PolarHBondContact OE1-NH2 2.77Å; E433-R436 WeakPolarHBondContact OE2-CG 3.15Å; E433-R436 IonicContact OE2-CZ 3.35Å; E433-R436 IonicContact OE2-NE 3.23Å; E433-R436 PolarHBondContact OE2-NE 2.75Å; E433-R436 IonicContact OE2-NH2 2.64Å; D434-R436 VanDerWaalsContact N-N 3.18Å; D434-R436 VanDerWaalsContact OD1-C 3.25Å; D434-R436 WeakPolarHBondContact OD1-CA 3.31Å; D434-R436 PolarHBondContact OD1-N 3.29Å; D434-R436 PolarHBondContact OD2-N 2.84Å; D434-R436 VanDerWaalsContact OD2-N 3.15Å; R436-E438 PolarHBondContact N-O 2.82Å; R436-E438 VanDerWaalsContact N-O 3.15Å; R436-N439 VanDerWaalsContact C-CA 3.46Å; R436-F440 VanDerWaalsContact C-N 3.31Å; R436-F440 PolarHBondContact O-N 2.67Å |
| 437 | R | 44.4 | Very low | 46 | Very low | 119 Ų | 119 | 83.6 Ų | 83.6 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 174.8 | -39 | 136.7 | -151.5 | -177.9 | -65.7 | -117.3 | 8.8 | 114.4 | D434 N439 F440 R450 | D434-R437 VanDerWaalsContact CG-N 3.31Å; D434-R437 WeakPolarHBondContact OD1-CA 3.06Å; D434-R437 PolarHBondContact OD1-N 3.46Å; D434-R437 WeakPolarHBondContact OD2-CA 3.41Å; D434-R437 PolarHBondContact OD2-N 2.87Å; R437-N439 VanDerWaalsContact N-N 3.17Å; R437-F440 VanDerWaalsContact CB-N 3.25Å; R437-R450 PolarHBondContact O-NE 3.48Å; R437-R450 PolarHBondContact O-NH2 3.09Å |
| 438 | E | 44.1 | Very low | 46.7 | Very low | 81 Ų | 81 | 81.8 Ų | 81.8 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | S | Bend | -84.6 | -43.9 | 75.3 | 167.4 | -100.7 | -121 | 0 | 0 | 114.6 | D434 K435 R436 E441 K442 R450 | D434-E438 VanDerWaalsContact OD2-CA 3.25Å; D434-E438 WeakPolarHBondContact OD2-CA 3.38Å; D434-E438 PolarHBondContact OD2-N 2.91Å; K435-E438 CarbonylContact C-O 3.05Å; K435-E438 WeakPolarHBondContact CA-O 3.18Å; K435-E438 PolarHBondContact N-O 3Å; R436-E438 PolarHBondContact N-O 2.82Å; R436-E438 VanDerWaalsContact N-O 3.15Å; E438-E441 WeakPolarHBondContact CA-O 3.06Å; E438-E441 WeakPolarHBondContact CB-O 3.44Å; E438-E441 PolarHBondContact N-O 2.8Å; E438-E441 VanDerWaalsContact N-O 3.16Å; E438-K442 VanDerWaalsContact OE1-CE 3.3Å; E438-K442 WeakPolarHBondContact OE1-CE 3.16Å; E438-K442 WeakPolarHBondContact OE1-CG 3.02Å; E438-K442 WeakPolarHBondContact OE2-CG 3.39Å; E438-K442 PolarHBondContact OE2-N 2.63Å; E438-R450 VanDerWaalsContact N-NH2 3.14Å | |
| 439 | N | 55.8 | Low | 47.2 | Very low | 22 Ų | 22 | 82 Ų | 82 | 12% | 0.118 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -151.9 | 70 | 155.5 | -165.9 | -79.2 | 0 | 0 | 0 | 109.4 | R427 T431 K435 R436 R437 E441 K442 G443 | R427-N439 PolarHBondContact NE-OD1 2.99Å; R427-N439 PolarHBondContact NH2-O 3.18Å; R427-N439 PolarHBondContact NH2-OD1 2.98Å; T431-N439 PolarHBondContact O-ND2 2.88Å; K435-N439 PolarHBondContact O-ND2 2.85Å; R436-N439 VanDerWaalsContact C-CA 3.46Å; R437-N439 VanDerWaalsContact N-N 3.17Å; N439-E441 VanDerWaalsContact N-C 3.34Å; N439-E441 PolarHBondContact N-O 2.8Å; N439-E441 CarbonylContact O-C 3.6Å; N439-E441 PolarHBondContact O-N 2.94Å; N439-K442 CarbonylContact O-C 3.56Å; N439-K442 WeakPolarHBondContact O-CA 3.05Å; N439-K442 PolarHBondContact O-N 3.24Å; N439-K442 VanDerWaalsContact O-N 3.09Å; N439-G443 PolarHBondContact O-N 3.26Å; N439-G443 VanDerWaalsContact O-N 3.08Å |
| 440 | F | 48.5 | Very low | 48 | Very low | 39 Ų | 39 | 81.2 Ų | 81.2 | 17% | 0.171 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -54.9 | -170.6 | -137 | -98.7 | 0 | 0 | 0 | 112.4 | F424 K425 R436 R437 L447 | F424-F440 AromaticContact CE2-CD1 3.98Å; F424-F440 HydrophobicContact CE2-CD1 3.98Å; F424-F440 AromaticContact CE2-CE1 3.51Å; F424-F440 HydrophobicContact CE2-CE1 3.51Å; F424-F440 HydrophobicContact CE2-CE2 4.3Å; F424-F440 AromaticContact CE2-CZ 3.68Å; F424-F440 HydrophobicContact CE2-CZ 3.68Å; F424-F440 AromaticContact CZ-CD1 3.76Å; F424-F440 HydrophobicContact CZ-CD1 3.76Å; F424-F440 AromaticContact CZ-CE1 3.63Å; F424-F440 HydrophobicContact CZ-CE1 3.63Å; F424-F440 HydrophobicContact CZ-CZ 4.28Å; K425-F440 VanDerWaalsContact NZ-CB 3.3Å; R436-F440 VanDerWaalsContact C-N 3.31Å; R436-F440 PolarHBondContact O-N 2.67Å; R437-F440 VanDerWaalsContact CB-N 3.25Å; F440-L447 HydrophobicContact CD1-CD1 3.9Å; F440-L447 HydrophobicContact CE1-CD1 4.18Å; F440-L447 WeakPolarHBondContact O-CD1 3.25Å; F440-L447 WeakPolarHBondContact O-CG 3.25Å |
| 441 | E | 44.3 | Very low | 48.7 | Very low | 20 Ų | 20 | 77.8 Ų | 77.8 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -71.1 | 140.7 | 114.4 | 64.7 | 141.2 | 0 | 0 | 108.2 | E438 N439 G443 A445 E446 L447 R450 | E438-E441 WeakPolarHBondContact CA-O 3.06Å; E438-E441 WeakPolarHBondContact CB-O 3.44Å; E438-E441 PolarHBondContact N-O 2.8Å; E438-E441 VanDerWaalsContact N-O 3.16Å; N439-E441 VanDerWaalsContact N-C 3.34Å; N439-E441 PolarHBondContact N-O 2.8Å; N439-E441 CarbonylContact O-C 3.6Å; N439-E441 PolarHBondContact O-N 2.94Å; E441-G443 VanDerWaalsContact CB-CA 3.44Å; E441-G443 VanDerWaalsContact CG-CA 3.4Å; E441-A445 HydrophobicContact CG-CB 3.82Å; E441-E446 VanDerWaalsContact CB-C 3.44Å; E441-E446 HydrophobicContact CB-CB 3.96Å; E441-E446 VanDerWaalsContact CB-N 3.33Å; E441-E446 HydrophobicContact CG-CB 4.03Å; E441-E446 PolarHBondContact OE1-N 2.96Å; E441-E446 WeakPolarHBondContact OE2-CB 3.05Å; E441-L447 HydrophobicContact CB-CB 4.38Å; E441-L447 VanDerWaalsContact CB-N 3.34Å; E441-R450 PolarHBondContact O-NH1 2.78Å |
| 442 | K | 56.6 | Low | 48.9 | Very low | 114 Ų | 114 | 80.3 Ų | 80.3 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | S | Bend | cis | 30.4 | -8.8 | -14 | -27.2 | 156.2 | -148 | 173 | 0 | 127.5 | R427 E438 N439 | R427-K442 PolarHBondContact NH1-O 2.92Å; R427-K442 PolarHBondContact NH2-O 3.05Å; E438-K442 VanDerWaalsContact OE1-CE 3.3Å; E438-K442 WeakPolarHBondContact OE1-CE 3.16Å; E438-K442 WeakPolarHBondContact OE1-CG 3.02Å; E438-K442 WeakPolarHBondContact OE2-CG 3.39Å; E438-K442 PolarHBondContact OE2-N 2.63Å; N439-K442 CarbonylContact O-C 3.56Å; N439-K442 WeakPolarHBondContact O-CA 3.05Å; N439-K442 PolarHBondContact O-N 3.24Å; N439-K442 VanDerWaalsContact O-N 3.09Å |
| 443 | G | 55.4 | Low | 49.3 | Very low | 17 Ų | 17 | 77.3 Ų | 77.3 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -159.3 | -128 | -146.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K425 N439 E441 | K425-G443 PolarHBondContact NZ-O 2.94Å; N439-G443 PolarHBondContact O-N 3.26Å; N439-G443 VanDerWaalsContact O-N 3.08Å; E441-G443 VanDerWaalsContact CB-CA 3.44Å; E441-G443 VanDerWaalsContact CG-CA 3.4Å |
| 444 | Q | 50.1 | Low | 49.8 | Very low | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | S | Bend | cis | -53.6 | 153.3 | 36 | -57.1 | -176.4 | 106.3 | 0 | 0 | 120.3 | L447 | Q444-L447 HydrophobicContact CB-CB 4.14Å; Q444-L447 HydrophobicContact CG-CB 4Å; Q444-L447 HydrophobicContact CG-CD1 4.2Å |
| 445 | A | 44.4 | Very low | 50.7 | Low | 53 Ų | 53 | 75.6 Ų | 75.6 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 145.8 | -60.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E441 L447 E448 R449 | E441-A445 HydrophobicContact CG-CB 3.82Å; A445-L447 PolarHBondContact O-N 3.12Å; A445-E448 CarbonylContact O-C 3.49Å; A445-E448 VanDerWaalsContact O-C 3.23Å; A445-E448 WeakPolarHBondContact O-CA 3.16Å; A445-E448 WeakPolarHBondContact O-CB 3.4Å; A445-E448 PolarHBondContact O-N 3.14Å; A445-R449 PolarHBondContact O-N 3.32Å |
| 446 | E | 44.6 | Very low | 51 | Low | 34 Ų | 34 | 76.9 Ų | 76.9 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 19.8 | 146.2 | -151.9 | -154.7 | -131.3 | 0 | 0 | 112.6 | E441 R449 R450 Q453 | E441-E446 VanDerWaalsContact CB-C 3.44Å; E441-E446 HydrophobicContact CB-CB 3.96Å; E441-E446 VanDerWaalsContact CB-N 3.33Å; E441-E446 HydrophobicContact CG-CB 4.03Å; E441-E446 PolarHBondContact OE1-N 2.96Å; E441-E446 WeakPolarHBondContact OE2-CB 3.05Å; E446-R449 HydrophobicContact CB-CB 4.23Å; E446-R449 VanDerWaalsContact CG-C 3.4Å; E446-R449 HydrophobicContact CG-CB 3.82Å; E446-R449 HydrophobicContact CG-CG 4.47Å; E446-R449 VanDerWaalsContact CG-O 3.26Å; E446-R449 WeakPolarHBondContact CG-O 3.37Å; E446-R449 CarbonylContact O-C 3.56Å; E446-R450 VanDerWaalsContact C-N 3.29Å; E446-R450 WeakPolarHBondContact O-CB 3.39Å; E446-R450 PolarHBondContact O-N 3.26Å; E446-R450 PolarHBondContact O-NH1 2.99Å; E446-R450 IonicContact OE2-CZ 3.46Å; E446-R450 IonicContact OE2-NH1 3.29Å; E446-R450 PolarHBondContact OE2-NH1 3.15Å; E446-R450 IonicContact OE2-NH2 2.66Å; E446-R450 PolarHBondContact OE2-NH2 2.72Å; E446-Q453 PolarHBondContact OE1-NE2 3.14Å |
| 447 | L | 51.3 | Low | 50.9 | Low | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -24.2 | 151 | -132.7 | 178 | 0 | 0 | 0 | 108.6 | F440 E441 Q444 A445 R449 R450 R451 | F440-L447 HydrophobicContact CD1-CD1 3.9Å; F440-L447 HydrophobicContact CE1-CD1 4.18Å; F440-L447 WeakPolarHBondContact O-CD1 3.25Å; F440-L447 WeakPolarHBondContact O-CG 3.25Å; E441-L447 HydrophobicContact CB-CB 4.38Å; E441-L447 VanDerWaalsContact CB-N 3.34Å; Q444-L447 HydrophobicContact CB-CB 4.14Å; Q444-L447 HydrophobicContact CG-CB 4Å; Q444-L447 HydrophobicContact CG-CD1 4.2Å; A445-L447 PolarHBondContact O-N 3.12Å; L447-R449 VanDerWaalsContact C-N 3.31Å; L447-R450 CarbonylContact O-C 3.58Å; L447-R450 VanDerWaalsContact O-C 3.22Å; L447-R451 WeakPolarHBondContact O-CB 3.33Å; L447-R451 VanDerWaalsContact O-CD 3.28Å; L447-R451 WeakPolarHBondContact O-CD 3.48Å; L447-R451 WeakPolarHBondContact O-CG 3.28Å; L447-R451 PolarHBondContact O-N 3.11Å |
| 448 | E | 49.8 | Very low | 51.4 | Low | 84 Ų | 84 | 72.5 Ų | 72.5 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -27.9 | 154.1 | -94.2 | 43.9 | -112.7 | 0 | 0 | 111.2 | A445 R451 E452 | A445-E448 CarbonylContact O-C 3.49Å; A445-E448 VanDerWaalsContact O-C 3.23Å; A445-E448 WeakPolarHBondContact O-CA 3.16Å; A445-E448 WeakPolarHBondContact O-CB 3.4Å; A445-E448 PolarHBondContact O-N 3.14Å; E448-R451 CarbonylContact O-C 3.5Å; E448-R451 WeakPolarHBondContact O-CA 3.48Å; E448-R451 WeakPolarHBondContact O-CB 3.17Å; E448-R451 PolarHBondContact O-N 2.84Å; E448-R451 VanDerWaalsContact OE1-CD 3.3Å; E448-R451 WeakPolarHBondContact OE1-CD 3.48Å; E448-R451 IonicContact OE1-CZ 3.44Å; E448-R451 IonicContact OE1-NE 3.85Å; E448-R451 IonicContact OE1-NH1 3.22Å; E448-R451 PolarHBondContact OE1-NH1 3.47Å; E448-R451 IonicContact OE2-NH1 3.8Å; E448-E452 WeakPolarHBondContact O-CA 3.37Å; E448-E452 WeakPolarHBondContact O-CB 3.44Å; E448-E452 WeakPolarHBondContact O-CG 3.37Å; E448-E452 PolarHBondContact O-N 3.02Å |
| 449 | R | 45.7 | Very low | 52 | Low | 137 Ų | 137 | 73.9 Ų | 73.9 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -113.6 | 19.5 | 175.6 | -155.6 | -179.4 | 172.6 | 129.4 | -15.9 | 114.4 | A445 E446 L447 E452 Q453 | A445-R449 PolarHBondContact O-N 3.32Å; E446-R449 HydrophobicContact CB-CB 4.23Å; E446-R449 VanDerWaalsContact CG-C 3.4Å; E446-R449 HydrophobicContact CG-CB 3.82Å; E446-R449 HydrophobicContact CG-CG 4.47Å; E446-R449 VanDerWaalsContact CG-O 3.26Å; E446-R449 WeakPolarHBondContact CG-O 3.37Å; E446-R449 CarbonylContact O-C 3.56Å; L447-R449 VanDerWaalsContact C-N 3.31Å; R449-E452 HydrophobicContact CB-CB 4.12Å; R449-E452 HydrophobicContact CG-CB 3.9Å; R449-Q453 HydrophobicContact CG-CG 4.09Å; R449-Q453 WeakPolarHBondContact O-CA 3.09Å; R449-Q453 WeakPolarHBondContact O-CB 3.03Å; R449-Q453 WeakPolarHBondContact O-CG 3.36Å; R449-Q453 PolarHBondContact O-N 3.3Å |
| 450 | R | 51.3 | Low | 52 | Low | 58 Ų | 58 | 78.8 Ų | 78.8 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -124.3 | 25.2 | 144.5 | -169.3 | -171.7 | -81.2 | 83.1 | 11.3 | 107.5 | R437 E438 E441 E446 L447 L454 | R437-R450 PolarHBondContact O-NE 3.48Å; R437-R450 PolarHBondContact O-NH2 3.09Å; E438-R450 VanDerWaalsContact N-NH2 3.14Å; E441-R450 PolarHBondContact O-NH1 2.78Å; E446-R450 VanDerWaalsContact C-N 3.29Å; E446-R450 WeakPolarHBondContact O-CB 3.39Å; E446-R450 PolarHBondContact O-N 3.26Å; E446-R450 PolarHBondContact O-NH1 2.99Å; E446-R450 IonicContact OE2-CZ 3.46Å; E446-R450 IonicContact OE2-NH1 3.29Å; E446-R450 PolarHBondContact OE2-NH1 3.15Å; E446-R450 IonicContact OE2-NH2 2.66Å; E446-R450 PolarHBondContact OE2-NH2 2.72Å; L447-R450 CarbonylContact O-C 3.58Å; L447-R450 VanDerWaalsContact O-C 3.22Å; R450-L454 HydrophobicContact CG-CD1 4Å; R450-L454 HydrophobicContact CG-CG 3.91Å; R450-L454 WeakPolarHBondContact O-CB 3.49Å; R450-L454 VanDerWaalsContact O-CD1 3.24Å; R450-L454 WeakPolarHBondContact O-CD1 3.44Å; R450-L454 VanDerWaalsContact O-CG 3.24Å; R450-L454 WeakPolarHBondContact O-CG 3.17Å |
| 451 | R | 51.8 | Low | 52.1 | Low | 116 Ų | 116 | 79.5 Ų | 79.5 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -121.1 | -4.7 | 144.1 | -71.7 | 161.5 | -179.8 | 148.6 | 4.5 | 110.3 | L447 E448 L454 L455 | L447-R451 WeakPolarHBondContact O-CB 3.33Å; L447-R451 VanDerWaalsContact O-CD 3.28Å; L447-R451 WeakPolarHBondContact O-CD 3.48Å; L447-R451 WeakPolarHBondContact O-CG 3.28Å; L447-R451 PolarHBondContact O-N 3.11Å; E448-R451 CarbonylContact O-C 3.5Å; E448-R451 WeakPolarHBondContact O-CA 3.48Å; E448-R451 WeakPolarHBondContact O-CB 3.17Å; E448-R451 PolarHBondContact O-N 2.84Å; E448-R451 VanDerWaalsContact OE1-CD 3.3Å; E448-R451 WeakPolarHBondContact OE1-CD 3.48Å; E448-R451 IonicContact OE1-CZ 3.44Å; E448-R451 IonicContact OE1-NE 3.85Å; E448-R451 IonicContact OE1-NH1 3.22Å; E448-R451 PolarHBondContact OE1-NH1 3.47Å; E448-R451 IonicContact OE2-NH1 3.8Å; R451-L454 CarbonylContact O-C 3.47Å; R451-L455 WeakPolarHBondContact O-CA 2.89Å; R451-L455 WeakPolarHBondContact O-CB 3.4Å; R451-L455 VanDerWaalsContact O-CD1 3.3Å; R451-L455 WeakPolarHBondContact O-CD1 3.43Å; R451-L455 WeakPolarHBondContact O-CG 3.33Å; R451-L455 PolarHBondContact O-N 3.07Å |
| 452 | E | 56.4 | Low | 52.5 | Low | 102 Ų | 102 | 85 Ų | 85 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -128.1 | -11.1 | 172.1 | -78.1 | -170 | 169.9 | 0 | 0 | 112.9 | E448 R449 K456 | E448-E452 WeakPolarHBondContact O-CA 3.37Å; E448-E452 WeakPolarHBondContact O-CB 3.44Å; E448-E452 WeakPolarHBondContact O-CG 3.37Å; E448-E452 PolarHBondContact O-N 3.02Å; R449-E452 HydrophobicContact CB-CB 4.12Å; R449-E452 HydrophobicContact CG-CB 3.9Å; E452-K456 WeakPolarHBondContact O-CA 3.28Å; E452-K456 WeakPolarHBondContact O-CB 3.11Å; E452-K456 WeakPolarHBondContact O-CG 3.42Å; E452-K456 PolarHBondContact O-N 2.8Å |
| 453 | Q | 50.7 | Low | 52.5 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 26.1 | 136.5 | -56.4 | 139.3 | -146.6 | 0 | 0 | 108.5 | E446 R449 M457 | E446-Q453 PolarHBondContact OE1-NE2 3.14Å; R449-Q453 HydrophobicContact CG-CG 4.09Å; R449-Q453 WeakPolarHBondContact O-CA 3.09Å; R449-Q453 WeakPolarHBondContact O-CB 3.03Å; R449-Q453 WeakPolarHBondContact O-CG 3.36Å; R449-Q453 PolarHBondContact O-N 3.3Å; Q453-M457 VanDerWaalsContact C-CB 3.44Å; Q453-M457 HydrophobicContact CB-CB 4.06Å; Q453-M457 HydrophobicContact CB-CE 3.95Å; Q453-M457 WeakPolarHBondContact O-CB 2.84Å |
| 454 | L | 56.5 | Low | 52.2 | Low | 79 Ų | 79 | 87.6 Ų | 87.6 | 41% | 0.414 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 30.6 | 138.5 | -64.5 | -179.6 | 0 | 0 | 0 | 110.1 | R450 R451 M457 E458 | R450-L454 HydrophobicContact CG-CD1 4Å; R450-L454 HydrophobicContact CG-CG 3.91Å; R450-L454 WeakPolarHBondContact O-CB 3.49Å; R450-L454 VanDerWaalsContact O-CD1 3.24Å; R450-L454 WeakPolarHBondContact O-CD1 3.44Å; R450-L454 VanDerWaalsContact O-CG 3.24Å; R450-L454 WeakPolarHBondContact O-CG 3.17Å; R451-L454 CarbonylContact O-C 3.47Å; L454-M457 HydrophobicContact CD2-CB 4.5Å; L454-E458 VanDerWaalsContact C-N 3.29Å; L454-E458 HydrophobicContact CB-CG 4.28Å; L454-E458 WeakPolarHBondContact O-CB 3.36Å; L454-E458 WeakPolarHBondContact O-CG 3.46Å |
| 455 | L | 59.2 | Low | 52.2 | Low | 96 Ų | 96 | 87.2 Ų | 87.2 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | -31.8 | 153.6 | -84.9 | 166.3 | 0 | 0 | 0 | 109.7 | R451 E458 Q459 | R451-L455 WeakPolarHBondContact O-CA 2.89Å; R451-L455 WeakPolarHBondContact O-CB 3.4Å; R451-L455 VanDerWaalsContact O-CD1 3.3Å; R451-L455 WeakPolarHBondContact O-CD1 3.43Å; R451-L455 WeakPolarHBondContact O-CG 3.33Å; R451-L455 PolarHBondContact O-N 3.07Å; L455-E458 CarbonylContact O-C 3.5Å; L455-Q459 VanDerWaalsContact O-CA 3.27Å; L455-Q459 WeakPolarHBondContact O-CA 2.83Å; L455-Q459 WeakPolarHBondContact O-CB 3.29Å; L455-Q459 WeakPolarHBondContact O-CG 3.25Å; L455-Q459 PolarHBondContact O-N 1.91Å; L455-Q459 PolarHBondContact O-OE1 2.9Å |
| 456 | K | 60.6 | Low | 52.7 | Low | 133 Ų | 133 | 88.1 Ų | 88.1 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -93 | 7.4 | 153.3 | -50.1 | -174.1 | 174.4 | -174 | 0 | 114.3 | E452 Q460 | E452-K456 WeakPolarHBondContact O-CA 3.28Å; E452-K456 WeakPolarHBondContact O-CB 3.11Å; E452-K456 WeakPolarHBondContact O-CG 3.42Å; E452-K456 PolarHBondContact O-N 2.8Å; K456-Q460 VanDerWaalsContact C-N 3.3Å; K456-Q460 WeakPolarHBondContact O-CA 3.22Å; K456-Q460 WeakPolarHBondContact O-CB 3.14Å; K456-Q460 WeakPolarHBondContact O-CG 3.37Å; K456-Q460 PolarHBondContact O-N 2.85Å |
| 457 | M | 46.8 | Very low | 53.3 | Low | 84 Ų | 84 | 91.5 Ų | 91.5 | 41% | 0.414 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 12.1 | 152.8 | -131.9 | -161.2 | -48.3 | 0 | 0 | 111.1 | Q453 L454 Q460 E461 | Q453-M457 VanDerWaalsContact C-CB 3.44Å; Q453-M457 HydrophobicContact CB-CB 4.06Å; Q453-M457 HydrophobicContact CB-CE 3.95Å; Q453-M457 WeakPolarHBondContact O-CB 2.84Å; L454-M457 HydrophobicContact CD2-CB 4.5Å; M457-Q460 HydrophobicContact CG-CB 4.24Å; M457-E461 HydrophobicContact CG-CB 4.46Å; M457-E461 WeakPolarHBondContact O-CB 3.32Å; M457-E461 PolarHBondContact O-N 3.48Å |
| 458 | E | 55.1 | Low | 53.2 | Low | 68 Ų | 68 | 93 Ų | 93 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -5.3 | 138.9 | -82.6 | -140.6 | 91.5 | 0 | 0 | 111.5 | L454 L455 R462 R465 | L454-E458 VanDerWaalsContact C-N 3.29Å; L454-E458 HydrophobicContact CB-CG 4.28Å; L454-E458 WeakPolarHBondContact O-CB 3.36Å; L454-E458 WeakPolarHBondContact O-CG 3.46Å; L455-E458 CarbonylContact O-C 3.5Å; E458-R462 VanDerWaalsContact C-N 3.3Å; E458-R462 WeakPolarHBondContact O-CA 3.38Å; E458-R462 WeakPolarHBondContact O-CB 3.45Å; E458-R462 PolarHBondContact O-N 2.87Å; E458-R465 IonicContact OE1-CZ 2.85Å; E458-R465 IonicContact OE1-NH1 3.46Å; E458-R465 PolarHBondContact OE1-NH1 2.94Å; E458-R465 IonicContact OE1-NH2 2.71Å |
| 459 | Q | 57.2 | Low | 53.3 | Low | 110 Ų | 110 | 92.5 Ų | 92.5 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -41.7 | 164.7 | -71.2 | 166.2 | -29.6 | 0 | 0 | 111.8 | L455 E461 R462 E463 | L455-Q459 VanDerWaalsContact O-CA 3.27Å; L455-Q459 WeakPolarHBondContact O-CA 2.83Å; L455-Q459 WeakPolarHBondContact O-CB 3.29Å; L455-Q459 WeakPolarHBondContact O-CG 3.25Å; L455-Q459 PolarHBondContact O-N 1.91Å; L455-Q459 PolarHBondContact O-OE1 2.9Å; Q459-E461 PolarHBondContact O-N 3Å; Q459-R462 CarbonylContact O-C 3.35Å; Q459-R462 PolarHBondContact O-N 3.04Å; Q459-R462 VanDerWaalsContact O-N 3.16Å; Q459-E463 WeakPolarHBondContact O-CA 3.14Å; Q459-E463 WeakPolarHBondContact O-CB 3.48Å; Q459-E463 WeakPolarHBondContact O-CG 3.34Å; Q459-E463 PolarHBondContact O-N 2.92Å |
| 460 | Q | 55.7 | Low | 53.7 | Low | 125 Ų | 125 | 92.6 Ų | 92.6 | 58% | 0.584 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -21.5 | 162.7 | -68.6 | -172.2 | -55.1 | 0 | 0 | 111.4 | K456 M457 E463 E464 | K456-Q460 VanDerWaalsContact C-N 3.3Å; K456-Q460 WeakPolarHBondContact O-CA 3.22Å; K456-Q460 WeakPolarHBondContact O-CB 3.14Å; K456-Q460 WeakPolarHBondContact O-CG 3.37Å; K456-Q460 PolarHBondContact O-N 2.85Å; M457-Q460 HydrophobicContact CG-CB 4.24Å; Q460-E463 CarbonylContact O-C 3.4Å; Q460-E464 WeakPolarHBondContact O-CA 3.44Å; Q460-E464 WeakPolarHBondContact O-CB 3.37Å; Q460-E464 PolarHBondContact O-N 2.83Å |
| 461 | E | 49.8 | Very low | 53.5 | Low | 54 Ų | 54 | 92.8 Ų | 92.8 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -27.2 | 160.9 | -135 | -158.4 | -147 | 0 | 0 | 113.6 | M457 Q459 E463 E464 R465 K468 | M457-E461 HydrophobicContact CG-CB 4.46Å; M457-E461 WeakPolarHBondContact O-CB 3.32Å; M457-E461 PolarHBondContact O-N 3.48Å; Q459-E461 PolarHBondContact O-N 3Å; E461-E463 PolarHBondContact O-N 3.17Å; E461-E464 HydrophobicContact CG-CB 4.05Å; E461-E464 VanDerWaalsContact CG-O 3.23Å; E461-E464 WeakPolarHBondContact CG-O 3.43Å; E461-E464 CarbonylContact O-C 3.44Å; E461-E464 WeakPolarHBondContact O-CA 3.15Å; E461-E464 PolarHBondContact O-N 3.03Å; E461-R465 HydrophobicContact CG-CB 4.03Å; E461-R465 WeakPolarHBondContact O-CA 3.46Å; E461-R465 WeakPolarHBondContact O-CB 3.07Å; E461-R465 PolarHBondContact O-N 3.46Å; E461-R465 IonicContact OE2-CZ 2.71Å; E461-R465 IonicContact OE2-NE 2.86Å; E461-R465 PolarHBondContact OE2-NE 2.74Å; E461-R465 IonicContact OE2-NH2 2.77Å; E461-R465 PolarHBondContact OE2-NH2 3.45Å; E461-K468 IonicContact OE1-NZ 2.83Å; E461-K468 PolarHBondContact OE1-NZ 3.32Å |
| 462 | R | 54.5 | Low | 53.1 | Low | 137 Ų | 137 | 90 Ų | 90 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -11.5 | 160.9 | -165.6 | 170.8 | -47.6 | -136.3 | -3.8 | 112.7 | E458 Q459 E466 | E458-R462 VanDerWaalsContact C-N 3.3Å; E458-R462 WeakPolarHBondContact O-CA 3.38Å; E458-R462 WeakPolarHBondContact O-CB 3.45Å; E458-R462 PolarHBondContact O-N 2.87Å; Q459-R462 CarbonylContact O-C 3.35Å; Q459-R462 PolarHBondContact O-N 3.04Å; Q459-R462 VanDerWaalsContact O-N 3.16Å; R462-E466 HydrophobicContact CG-CG 4.16Å; R462-E466 VanDerWaalsContact O-CA 3.27Å; R462-E466 WeakPolarHBondContact O-CA 3.46Å; R462-E466 WeakPolarHBondContact O-CB 3.48Å; R462-E466 WeakPolarHBondContact O-CG 3.34Å; R462-E466 PolarHBondContact O-N 3.07Å |
| 463 | E | 55.4 | Low | 52.8 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 13.5 | 168.8 | -61.8 | 171.6 | 156.7 | 0 | 0 | 111.3 | Q459 Q460 E461 R467 | Q459-E463 WeakPolarHBondContact O-CA 3.14Å; Q459-E463 WeakPolarHBondContact O-CB 3.48Å; Q459-E463 WeakPolarHBondContact O-CG 3.34Å; Q459-E463 PolarHBondContact O-N 2.92Å; Q460-E463 CarbonylContact O-C 3.4Å; E461-E463 PolarHBondContact O-N 3.17Å; E463-R467 WeakPolarHBondContact O-CB 2.9Å; E463-R467 PolarHBondContact O-N 2.89Å |
| 464 | E | 48.3 | Very low | 52.9 | Low | 63 Ų | 63 | 90 Ų | 90 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -147.3 | 29.2 | 170.9 | -157.6 | -176.1 | -103.7 | 0 | 0 | 110.4 | Q460 E461 R467 K468 | Q460-E464 WeakPolarHBondContact O-CA 3.44Å; Q460-E464 WeakPolarHBondContact O-CB 3.37Å; Q460-E464 PolarHBondContact O-N 2.83Å; E461-E464 HydrophobicContact CG-CB 4.05Å; E461-E464 VanDerWaalsContact CG-O 3.23Å; E461-E464 WeakPolarHBondContact CG-O 3.43Å; E461-E464 CarbonylContact O-C 3.44Å; E461-E464 WeakPolarHBondContact O-CA 3.15Å; E461-E464 PolarHBondContact O-N 3.03Å; E464-R467 IonicContact OE1-CZ 2.77Å; E464-R467 IonicContact OE1-NH1 2.74Å; E464-R467 PolarHBondContact OE1-NH1 3.09Å; E464-R467 IonicContact OE1-NH2 3.32Å; E464-R467 PolarHBondContact OE1-NH2 3.31Å; E464-K468 HydrophobicContact CG-CD 4.49Å; E464-K468 HydrophobicContact CG-CG 4.06Å; E464-K468 WeakPolarHBondContact O-CB 3.06Å; E464-K468 WeakPolarHBondContact O-CD 2.91Å; E464-K468 WeakPolarHBondContact O-CE 3.32Å; E464-K468 WeakPolarHBondContact O-CG 3.4Å; E464-K468 PolarHBondContact O-N 3.4Å; E464-K468 PolarHBondContact O-NZ 3.18Å; E464-K468 IonicContact OE2-NZ 2.71Å; E464-K468 PolarHBondContact OE2-NZ 3.04Å |
| 465 | R | 50.3 | Low | 52.5 | Low | 92 Ų | 92 | 88.7 Ų | 88.7 | 35% | 0.347 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -161.5 | -7 | 175.8 | -156 | -161.9 | -54.2 | 151.7 | 0.5 | 106.4 | E458 E461 K468 E469 | E458-R465 IonicContact OE1-CZ 2.85Å; E458-R465 IonicContact OE1-NH1 3.46Å; E458-R465 PolarHBondContact OE1-NH1 2.94Å; E458-R465 IonicContact OE1-NH2 2.71Å; E461-R465 HydrophobicContact CG-CB 4.03Å; E461-R465 WeakPolarHBondContact O-CA 3.46Å; E461-R465 WeakPolarHBondContact O-CB 3.07Å; E461-R465 PolarHBondContact O-N 3.46Å; E461-R465 IonicContact OE2-CZ 2.71Å; E461-R465 IonicContact OE2-NE 2.86Å; E461-R465 PolarHBondContact OE2-NE 2.74Å; E461-R465 IonicContact OE2-NH2 2.77Å; E461-R465 PolarHBondContact OE2-NH2 3.45Å; R465-K468 VanDerWaalsContact C-C 3.5Å; R465-K468 CarbonylContact O-C 3.58Å; R465-E469 WeakPolarHBondContact O-CA 3.33Å; R465-E469 WeakPolarHBondContact O-CB 3.24Å; R465-E469 WeakPolarHBondContact O-CG 3.24Å; R465-E469 PolarHBondContact O-N 3.31Å |
| 466 | E | 55.7 | Low | 52.2 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -107.2 | -10.4 | 134.6 | -56.9 | 171.2 | -161.7 | 0 | 0 | 114 | R462 E469 R470 | R462-E466 HydrophobicContact CG-CG 4.16Å; R462-E466 VanDerWaalsContact O-CA 3.27Å; R462-E466 WeakPolarHBondContact O-CA 3.46Å; R462-E466 WeakPolarHBondContact O-CB 3.48Å; R462-E466 WeakPolarHBondContact O-CG 3.34Å; R462-E466 PolarHBondContact O-N 3.07Å; E466-E469 VanDerWaalsContact C-N 3.33Å; E466-E469 VanDerWaalsContact CA-N 3.32Å; E466-E469 CarbonylContact O-C 3.46Å; E466-R470 WeakPolarHBondContact O-CA 3.12Å; E466-R470 WeakPolarHBondContact O-CB 3.46Å; E466-R470 WeakPolarHBondContact O-CG 3.48Å; E466-R470 PolarHBondContact O-N 2.92Å; E466-R470 PolarHBondContact O-NH1 3.42Å; E466-R470 IonicContact OE2-CZ 3.3Å; E466-R470 VanDerWaalsContact OE2-CZ 3.3Å; E466-R470 IonicContact OE2-NH1 3.1Å; E466-R470 PolarHBondContact OE2-NH1 3.01Å; E466-R470 VanDerWaalsContact OE2-NH1 3.1Å; E466-R470 IonicContact OE2-NH2 2.69Å; E466-R470 PolarHBondContact OE2-NH2 2.85Å |
| 467 | R | 57.4 | Low | 51.7 | Low | 105 Ų | 105 | 88.3 Ų | 88.3 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -97.7 | -7 | 152.9 | -153.8 | -158.3 | 86.4 | -117.7 | -8.8 | 111.7 | E463 E464 E471 | E463-R467 WeakPolarHBondContact O-CB 2.9Å; E463-R467 PolarHBondContact O-N 2.89Å; E464-R467 IonicContact OE1-CZ 2.77Å; E464-R467 IonicContact OE1-NH1 2.74Å; E464-R467 PolarHBondContact OE1-NH1 3.09Å; E464-R467 IonicContact OE1-NH2 3.32Å; E464-R467 PolarHBondContact OE1-NH2 3.31Å; R467-E471 WeakPolarHBondContact CD-OE1 3.25Å; R467-E471 HydrophobicContact CG-CG 4.38Å; R467-E471 IonicContact CZ-OE1 3.55Å; R467-E471 IonicContact CZ-OE2 3.65Å; R467-E471 VanDerWaalsContact NE-CD 3.33Å; R467-E471 IonicContact NE-OE1 3.78Å; R467-E471 PolarHBondContact NE-OE1 2.8Å; R467-E471 IonicContact NE-OE2 3.65Å; R467-E471 PolarHBondContact NE-OE2 3.18Å; R467-E471 IonicContact NH2-OE1 2.81Å; R467-E471 IonicContact NH2-OE2 3.87Å; R467-E471 PolarHBondContact NH2-OE2 3.13Å; R467-E471 VanDerWaalsContact NH2-OE2 3.1Å; R467-E471 WeakPolarHBondContact O-CA 3.4Å; R467-E471 WeakPolarHBondContact O-CB 3.36Å; R467-E471 WeakPolarHBondContact O-CG 3.34Å; R467-E471 PolarHBondContact O-N 3.49Å |
| 468 | K | 48.6 | Very low | 52 | Low | 58 Ų | 58 | 91.4 Ų | 91.4 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 28.9 | 144.8 | -54.6 | 172.1 | -146.9 | 91.5 | 0 | 111.2 | E461 E464 R465 E472 | E461-K468 IonicContact OE1-NZ 2.83Å; E461-K468 PolarHBondContact OE1-NZ 3.32Å; E464-K468 HydrophobicContact CG-CD 4.49Å; E464-K468 HydrophobicContact CG-CG 4.06Å; E464-K468 WeakPolarHBondContact O-CB 3.06Å; E464-K468 WeakPolarHBondContact O-CD 2.91Å; E464-K468 WeakPolarHBondContact O-CE 3.32Å; E464-K468 WeakPolarHBondContact O-CG 3.4Å; E464-K468 PolarHBondContact O-N 3.4Å; E464-K468 PolarHBondContact O-NZ 3.18Å; E464-K468 IonicContact OE2-NZ 2.71Å; E464-K468 PolarHBondContact OE2-NZ 3.04Å; R465-K468 VanDerWaalsContact C-C 3.5Å; R465-K468 CarbonylContact O-C 3.58Å; K468-E472 HydrophobicContact CB-CG 4.23Å; K468-E472 WeakPolarHBondContact O-CB 3.33Å; K468-E472 VanDerWaalsContact O-CD 3.3Å; K468-E472 WeakPolarHBondContact O-CG 2.97Å; K468-E472 PolarHBondContact O-N 2.66Å |
| 469 | E | 51.8 | Low | 51.4 | Low | 72 Ų | 72 | 91.1 Ų | 91.1 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 4.8 | 144.3 | -80.6 | -173 | 146.5 | 0 | 0 | 111.5 | R465 E466 E472 Q473 R476 | R465-E469 WeakPolarHBondContact O-CA 3.33Å; R465-E469 WeakPolarHBondContact O-CB 3.24Å; R465-E469 WeakPolarHBondContact O-CG 3.24Å; R465-E469 PolarHBondContact O-N 3.31Å; E466-E469 VanDerWaalsContact C-N 3.33Å; E466-E469 VanDerWaalsContact CA-N 3.32Å; E466-E469 CarbonylContact O-C 3.46Å; E469-E472 HydrophobicContact CG-CB 4.18Å; E469-E472 CarbonylContact O-C 3.56Å; E469-Q473 WeakPolarHBondContact O-CA 3.47Å; E469-Q473 WeakPolarHBondContact O-CB 3.29Å; E469-Q473 WeakPolarHBondContact O-CG 3.4Å; E469-Q473 PolarHBondContact O-N 3.11Å; E469-R476 IonicContact OE1-CZ 3.21Å; E469-R476 VanDerWaalsContact OE1-CZ 3.22Å; E469-R476 IonicContact OE1-NH1 3.4Å; E469-R476 PolarHBondContact OE1-NH1 3.35Å; E469-R476 IonicContact OE1-NH2 3.85Å; E469-R476 PolarHBondContact OE1-NH2 2.75Å |
| 470 | R | 55 | Low | 51.6 | Low | 139 Ų | 139 | 93 Ų | 93 | 53% | 0.525 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -26.1 | 153.9 | -65.5 | 171.8 | -158.1 | 96 | -2.1 | 110.6 | E466 E472 A474 K475 | E466-R470 WeakPolarHBondContact O-CA 3.12Å; E466-R470 WeakPolarHBondContact O-CB 3.46Å; E466-R470 WeakPolarHBondContact O-CG 3.48Å; E466-R470 PolarHBondContact O-N 2.92Å; E466-R470 PolarHBondContact O-NH1 3.42Å; E466-R470 IonicContact OE2-CZ 3.3Å; E466-R470 VanDerWaalsContact OE2-CZ 3.3Å; E466-R470 IonicContact OE2-NH1 3.1Å; E466-R470 PolarHBondContact OE2-NH1 3.01Å; E466-R470 VanDerWaalsContact OE2-NH1 3.1Å; E466-R470 IonicContact OE2-NH2 2.69Å; E466-R470 PolarHBondContact OE2-NH2 2.85Å; R470-E472 VanDerWaalsContact C-N 3.27Å; R470-A474 CarbonylContact O-C 3.07Å; R470-A474 WeakPolarHBondContact O-CA 3.41Å; R470-A474 WeakPolarHBondContact O-CB 3.49Å; R470-A474 PolarHBondContact O-N 2.98Å; R470-K475 PolarHBondContact O-N 3.23Å |
| 471 | E | 47.1 | Very low | 51.4 | Low | 63 Ų | 63 | 94.1 Ų | 94.1 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 25 | 148.5 | -45.8 | 149.2 | -174.4 | 0 | 0 | 110.2 | R467 K475 | R467-E471 WeakPolarHBondContact CD-OE1 3.25Å; R467-E471 HydrophobicContact CG-CG 4.38Å; R467-E471 IonicContact CZ-OE1 3.55Å; R467-E471 IonicContact CZ-OE2 3.65Å; R467-E471 VanDerWaalsContact NE-CD 3.33Å; R467-E471 IonicContact NE-OE1 3.78Å; R467-E471 PolarHBondContact NE-OE1 2.8Å; R467-E471 IonicContact NE-OE2 3.65Å; R467-E471 PolarHBondContact NE-OE2 3.18Å; R467-E471 IonicContact NH2-OE1 2.81Å; R467-E471 IonicContact NH2-OE2 3.87Å; R467-E471 PolarHBondContact NH2-OE2 3.13Å; R467-E471 VanDerWaalsContact NH2-OE2 3.1Å; R467-E471 WeakPolarHBondContact O-CA 3.4Å; R467-E471 WeakPolarHBondContact O-CB 3.36Å; R467-E471 WeakPolarHBondContact O-CG 3.34Å; R467-E471 PolarHBondContact O-N 3.49Å; E471-K475 VanDerWaalsContact C-CB 3.46Å; E471-K475 HydrophobicContact CB-CD 3.99Å; E471-K475 HydrophobicContact CB-CG 4.1Å; E471-K475 WeakPolarHBondContact O-CB 3.4Å; E471-K475 WeakPolarHBondContact O-CD 3.47Å; E471-K475 WeakPolarHBondContact O-CE 3.42Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-NZ 2.72Å |
| 472 | E | 42.5 | Very low | 51.3 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | 19.2 | 144.6 | -61.1 | 179.9 | -171.5 | 0 | 0 | 113.5 | K468 E469 R470 K475 R476 | K468-E472 HydrophobicContact CB-CG 4.23Å; K468-E472 WeakPolarHBondContact O-CB 3.33Å; K468-E472 VanDerWaalsContact O-CD 3.3Å; K468-E472 WeakPolarHBondContact O-CG 2.97Å; K468-E472 PolarHBondContact O-N 2.66Å; E469-E472 HydrophobicContact CG-CB 4.18Å; E469-E472 CarbonylContact O-C 3.56Å; R470-E472 VanDerWaalsContact C-N 3.27Å; E472-K475 HydrophobicContact CG-CB 4.43Å; E472-K475 VanDerWaalsContact CG-NZ 3.28Å; E472-K475 IonicContact OE1-NZ 3.67Å; E472-R476 HydrophobicContact CB-CG 4.3Å; E472-R476 WeakPolarHBondContact O-CB 3.05Å; E472-R476 WeakPolarHBondContact O-CD 2.99Å; E472-R476 WeakPolarHBondContact O-CG 3.28Å; E472-R476 PolarHBondContact O-N 2.71Å; E472-R476 PolarHBondContact O-NE 2.66Å; E472-R476 IonicContact OE2-CZ 3.67Å; E472-R476 IonicContact OE2-NE 3.48Å; E472-R476 PolarHBondContact OE2-NE 2.78Å; E472-R476 IonicContact OE2-NH2 3.1Å; E472-R476 PolarHBondContact OE2-NH2 2.76Å |
| 473 | Q | 50.3 | Low | 51.3 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -47.2 | 153.6 | -76.1 | 179.6 | -9.4 | 0 | 0 | 109.6 | E469 K475 R476 E477 | E469-Q473 WeakPolarHBondContact O-CA 3.47Å; E469-Q473 WeakPolarHBondContact O-CB 3.29Å; E469-Q473 WeakPolarHBondContact O-CG 3.4Å; E469-Q473 PolarHBondContact O-N 3.11Å; Q473-K475 PolarHBondContact O-N 3.32Å; Q473-R476 CarbonylContact O-C 3.2Å; Q473-R476 PolarHBondContact O-N 3.43Å; Q473-R476 VanDerWaalsContact O-N 3.15Å; Q473-E477 VanDerWaalsContact O-CA 3.31Å; Q473-E477 WeakPolarHBondContact O-CA 3.03Å; Q473-E477 WeakPolarHBondContact O-CB 3.12Å; Q473-E477 VanDerWaalsContact O-CG 3.27Å; Q473-E477 WeakPolarHBondContact O-CG 3.07Å; Q473-E477 PolarHBondContact O-N 2.98Å |
| 474 | A | 53.9 | Low | 51.4 | Low | 41 Ų | 41 | 89.1 Ų | 89.1 | 34% | 0.339 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -81.4 | 27 | 146.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R470 R478 | R470-A474 CarbonylContact O-C 3.07Å; R470-A474 WeakPolarHBondContact O-CA 3.41Å; R470-A474 WeakPolarHBondContact O-CB 3.49Å; R470-A474 PolarHBondContact O-N 2.98Å; A474-R478 WeakPolarHBondContact O-CB 3.14Å; A474-R478 VanDerWaalsContact O-CD 3.26Å; A474-R478 WeakPolarHBondContact O-CD 3.5Å; A474-R478 WeakPolarHBondContact O-CG 3.14Å |
| 475 | K | 46.4 | Very low | 52.1 | Low | 52 Ų | 52 | 92.9 Ų | 92.9 | 23% | 0.226 | 41% | 0.408 | C | S | . | . | S | Bend | -116.3 | -31.1 | 129.1 | -65.7 | 169.8 | 27.8 | -65.4 | 0 | 115.2 | R470 E471 E472 Q473 E477 R478 E479 R480 | R470-K475 PolarHBondContact O-N 3.23Å; E471-K475 VanDerWaalsContact C-CB 3.46Å; E471-K475 HydrophobicContact CB-CD 3.99Å; E471-K475 HydrophobicContact CB-CG 4.1Å; E471-K475 WeakPolarHBondContact O-CB 3.4Å; E471-K475 WeakPolarHBondContact O-CD 3.47Å; E471-K475 WeakPolarHBondContact O-CE 3.42Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-NZ 2.72Å; E472-K475 HydrophobicContact CG-CB 4.43Å; E472-K475 VanDerWaalsContact CG-NZ 3.28Å; E472-K475 IonicContact OE1-NZ 3.67Å; Q473-K475 PolarHBondContact O-N 3.32Å; K475-E477 PolarHBondContact O-N 2.72Å; K475-R478 HydrophobicContact CB-CB 4.48Å; K475-R478 HydrophobicContact CG-CB 4.14Å; K475-R478 CarbonylContact O-C 3.55Å; K475-R478 PolarHBondContact O-N 2.83Å; K475-E479 HydrophobicContact CB-CB 4.23Å; K475-E479 HydrophobicContact CB-CG 3.83Å; K475-E479 WeakPolarHBondContact CB-OE2 2.96Å; K475-E479 VanDerWaalsContact CE-OE1 3.23Å; K475-E479 WeakPolarHBondContact CE-OE1 3.35Å; K475-E479 WeakPolarHBondContact CE-OE2 3.43Å; K475-E479 HydrophobicContact CG-CG 4.26Å; K475-E479 VanDerWaalsContact NZ-CD 3.32Å; K475-E479 IonicContact NZ-OE1 2.77Å; K475-E479 PolarHBondContact NZ-OE1 2.87Å; K475-E479 IonicContact NZ-OE2 3.76Å; K475-E479 PolarHBondContact NZ-OE2 2.9Å; K475-E479 CarbonylContact O-C 3.51Å; K475-E479 WeakPolarHBondContact O-CA 3.48Å; K475-E479 WeakPolarHBondContact O-CB 3.18Å; K475-E479 PolarHBondContact O-N 3.24Å; K475-R480 PolarHBondContact O-N 3Å | |
| 476 | R | 53.9 | Low | 52.1 | Low | 106 Ų | 106 | 94.3 Ų | 94.3 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 13.5 | 165.6 | -62 | 164 | -148.9 | 152.4 | 7.6 | 113.5 | E469 E472 Q473 R480 | E469-R476 IonicContact OE1-CZ 3.21Å; E469-R476 VanDerWaalsContact OE1-CZ 3.22Å; E469-R476 IonicContact OE1-NH1 3.4Å; E469-R476 PolarHBondContact OE1-NH1 3.35Å; E469-R476 IonicContact OE1-NH2 3.85Å; E469-R476 PolarHBondContact OE1-NH2 2.75Å; E472-R476 HydrophobicContact CB-CG 4.3Å; E472-R476 WeakPolarHBondContact O-CB 3.05Å; E472-R476 WeakPolarHBondContact O-CD 2.99Å; E472-R476 WeakPolarHBondContact O-CG 3.28Å; E472-R476 PolarHBondContact O-N 2.71Å; E472-R476 PolarHBondContact O-NE 2.66Å; E472-R476 IonicContact OE2-CZ 3.67Å; E472-R476 IonicContact OE2-NE 3.48Å; E472-R476 PolarHBondContact OE2-NE 2.78Å; E472-R476 IonicContact OE2-NH2 3.1Å; E472-R476 PolarHBondContact OE2-NH2 2.76Å; Q473-R476 CarbonylContact O-C 3.2Å; Q473-R476 PolarHBondContact O-N 3.43Å; Q473-R476 VanDerWaalsContact O-N 3.15Å; R476-R480 WeakPolarHBondContact O-CB 3.4Å; R476-R480 VanDerWaalsContact O-CZ 3.23Å; R476-R480 PolarHBondContact O-NE 3.34Å; R476-R480 PolarHBondContact O-NH2 2.66Å |
| 477 | E | 50.2 | Low | 52.5 | Low | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | -22.4 | 162.6 | -61.2 | -172 | 137.6 | 0 | 0 | 114.2 | Q473 K475 R480 M481 | Q473-E477 VanDerWaalsContact O-CA 3.31Å; Q473-E477 WeakPolarHBondContact O-CA 3.03Å; Q473-E477 WeakPolarHBondContact O-CB 3.12Å; Q473-E477 VanDerWaalsContact O-CG 3.27Å; Q473-E477 WeakPolarHBondContact O-CG 3.07Å; Q473-E477 PolarHBondContact O-N 2.98Å; K475-E477 PolarHBondContact O-N 2.72Å; E477-R480 VanDerWaalsContact C-N 3.3Å; E477-R480 PolarHBondContact O-N 3.38Å; E477-M481 WeakPolarHBondContact O-CB 3.25Å; E477-M481 PolarHBondContact O-N 2.77Å |
| 478 | R | 52.3 | Low | 52.8 | Low | 149 Ų | 149 | 100.7 Ų | 100.7 | 56% | 0.562 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -80.8 | -58 | 161.3 | -73.3 | -178.3 | -179 | 156.4 | -1.1 | 110.5 | A474 K475 R480 M481 E482 A483 | A474-R478 WeakPolarHBondContact O-CB 3.14Å; A474-R478 VanDerWaalsContact O-CD 3.26Å; A474-R478 WeakPolarHBondContact O-CD 3.5Å; A474-R478 WeakPolarHBondContact O-CG 3.14Å; K475-R478 HydrophobicContact CB-CB 4.48Å; K475-R478 HydrophobicContact CG-CB 4.14Å; K475-R478 CarbonylContact O-C 3.55Å; K475-R478 PolarHBondContact O-N 2.83Å; R478-R480 PolarHBondContact O-N 3.42Å; R478-M481 PolarHBondContact O-N 3.43Å; R478-E482 CarbonylContact O-C 3.07Å; R478-E482 WeakPolarHBondContact O-CA 3.11Å; R478-E482 WeakPolarHBondContact O-CB 3.45Å; R478-E482 PolarHBondContact O-N 2.96Å; R478-A483 PolarHBondContact O-N 3.16Å; R478-A483 VanDerWaalsContact O-N 3.1Å |
| 479 | E | 43.2 | Very low | 53.2 | Low | 62 Ų | 62 | 101.1 Ų | 101.1 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | 34.2 | 148 | -49.3 | 166.2 | 141 | 0 | 0 | 114 | K475 A483 R486 | K475-E479 HydrophobicContact CB-CB 4.23Å; K475-E479 HydrophobicContact CB-CG 3.83Å; K475-E479 WeakPolarHBondContact CB-OE2 2.96Å; K475-E479 VanDerWaalsContact CE-OE1 3.23Å; K475-E479 WeakPolarHBondContact CE-OE1 3.35Å; K475-E479 WeakPolarHBondContact CE-OE2 3.43Å; K475-E479 HydrophobicContact CG-CG 4.26Å; K475-E479 VanDerWaalsContact NZ-CD 3.32Å; K475-E479 IonicContact NZ-OE1 2.77Å; K475-E479 PolarHBondContact NZ-OE1 2.87Å; K475-E479 IonicContact NZ-OE2 3.76Å; K475-E479 PolarHBondContact NZ-OE2 2.9Å; K475-E479 CarbonylContact O-C 3.51Å; K475-E479 WeakPolarHBondContact O-CA 3.48Å; K475-E479 WeakPolarHBondContact O-CB 3.18Å; K475-E479 PolarHBondContact O-N 3.24Å; E479-A483 HydrophobicContact CB-CB 4.46Å; E479-A483 WeakPolarHBondContact O-CB 3.42Å; E479-R486 IonicContact OE1-CZ 2.73Å; E479-R486 IonicContact OE1-NH1 2.85Å; E479-R486 PolarHBondContact OE1-NH1 2.66Å; E479-R486 IonicContact OE1-NH2 3.75Å |
| 480 | R | 61 | Low | 53.4 | Low | 150 Ų | 150 | 101.4 Ų | 101.4 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -130.3 | -53.4 | 148.5 | -145.5 | -170.2 | -51.3 | 166.7 | 8.9 | 112.6 | K475 R476 E477 R478 E482 A483 E484 | K475-R480 PolarHBondContact O-N 3Å; R476-R480 WeakPolarHBondContact O-CB 3.4Å; R476-R480 VanDerWaalsContact O-CZ 3.23Å; R476-R480 PolarHBondContact O-NE 3.34Å; R476-R480 PolarHBondContact O-NH2 2.66Å; E477-R480 VanDerWaalsContact C-N 3.3Å; E477-R480 PolarHBondContact O-N 3.38Å; R478-R480 PolarHBondContact O-N 3.42Å; R480-E482 VanDerWaalsContact C-N 3.29Å; R480-E482 PolarHBondContact O-N 2.97Å; R480-A483 VanDerWaalsContact C-N 3.25Å; R480-A483 CarbonylContact O-C 3.14Å; R480-A483 WeakPolarHBondContact O-CA 3.22Å; R480-A483 PolarHBondContact O-N 3.45Å; R480-E484 WeakPolarHBondContact O-CB 3.24Å; R480-E484 PolarHBondContact O-N 3.28Å |
| 481 | M | 51.4 | Low | 53.9 | Low | 148 Ų | 148 | 100.9 Ų | 100.9 | 73% | 0.729 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 171.2 | -78.6 | -73.7 | -73.9 | 0 | 0 | 112.2 | E477 R478 E484 R485 | E477-M481 WeakPolarHBondContact O-CB 3.25Å; E477-M481 PolarHBondContact O-N 2.77Å; R478-M481 PolarHBondContact O-N 3.43Å; M481-E484 WeakPolarHBondContact O-CB 3.19Å; M481-R485 VanDerWaalsContact O-CB 3.25Å; M481-R485 WeakPolarHBondContact O-CB 3.23Å; M481-R485 PolarHBondContact O-N 2.85Å |
| 482 | E | 48.8 | Very low | 54.6 | Low | 76 Ų | 76 | 104 Ų | 104 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -107.8 | 29.2 | 168.6 | -34.9 | -166.3 | 113.3 | 0 | 0 | 110.3 | R478 R480 R485 R486 | R478-E482 CarbonylContact O-C 3.07Å; R478-E482 WeakPolarHBondContact O-CA 3.11Å; R478-E482 WeakPolarHBondContact O-CB 3.45Å; R478-E482 PolarHBondContact O-N 2.96Å; R480-E482 VanDerWaalsContact C-N 3.29Å; R480-E482 PolarHBondContact O-N 2.97Å; E482-R485 HydrophobicContact CB-CB 4.16Å; E482-R485 HydrophobicContact CB-CG 4.47Å; E482-R485 HydrophobicContact CG-CB 4.22Å; E482-R485 HydrophobicContact CG-CG 4.43Å; E482-R485 WeakPolarHBondContact OE1-CD 3.41Å; E482-R485 IonicContact OE1-CZ 3.22Å; E482-R485 IonicContact OE1-NE 2.99Å; E482-R485 IonicContact OE1-NH1 2.69Å; E482-R485 PolarHBondContact OE1-NH1 2.61Å; E482-R486 WeakPolarHBondContact O-CA 3.44Å; E482-R486 WeakPolarHBondContact O-CB 3.23Å; E482-R486 WeakPolarHBondContact O-CG 3.49Å; E482-R486 PolarHBondContact O-N 3.02Å; E482-R486 VanDerWaalsContact O-N 3.08Å |
| 483 | A | 53.5 | Low | 55.4 | Low | 31 Ų | 31 | 106.9 Ų | 106.9 | 26% | 0.256 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -104.9 | -14.4 | 139 | 0 | 0 | 0 | 0 | 0 | 112.5 | R478 E479 R480 R487 | R478-A483 PolarHBondContact O-N 3.16Å; R478-A483 VanDerWaalsContact O-N 3.1Å; E479-A483 HydrophobicContact CB-CB 4.46Å; E479-A483 WeakPolarHBondContact O-CB 3.42Å; R480-A483 VanDerWaalsContact C-N 3.25Å; R480-A483 CarbonylContact O-C 3.14Å; R480-A483 WeakPolarHBondContact O-CA 3.22Å; R480-A483 PolarHBondContact O-N 3.45Å; A483-R487 WeakPolarHBondContact O-CA 3.34Å; A483-R487 WeakPolarHBondContact O-CB 3.43Å; A483-R487 WeakPolarHBondContact O-CD 3.36Å; A483-R487 WeakPolarHBondContact O-CG 3.34Å; A483-R487 PolarHBondContact O-N 2.68Å |
| 484 | E | 58.3 | Low | 55.9 | Low | 101 Ų | 101 | 104.2 Ų | 104.2 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81 | -44.4 | 161.2 | -133.3 | 67.7 | -106.8 | 0 | 0 | 109 | R480 M481 R487 Q488 | R480-E484 WeakPolarHBondContact O-CB 3.24Å; R480-E484 PolarHBondContact O-N 3.28Å; M481-E484 WeakPolarHBondContact O-CB 3.19Å; E484-R487 CarbonylContact O-C 3.14Å; E484-R487 WeakPolarHBondContact O-CA 3.09Å; E484-R487 WeakPolarHBondContact O-CB 3.31Å; E484-R487 PolarHBondContact O-N 3.18Å; E484-R487 IonicContact OE1-NH1 3.45Å; E484-Q488 WeakPolarHBondContact O-CB 3.2Å; E484-Q488 WeakPolarHBondContact O-CG 3.25Å; E484-Q488 PolarHBondContact O-N 3.02Å |
| 485 | R | 61.8 | Low | 56.6 | Low | 142 Ų | 142 | 106.7 Ų | 106.7 | 54% | 0.536 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -82 | -23.9 | 170 | 171.1 | -164.8 | -101.3 | -173.7 | -2.7 | 113.1 | M481 E482 L489 | M481-R485 VanDerWaalsContact O-CB 3.25Å; M481-R485 WeakPolarHBondContact O-CB 3.23Å; M481-R485 PolarHBondContact O-N 2.85Å; E482-R485 HydrophobicContact CB-CB 4.16Å; E482-R485 HydrophobicContact CB-CG 4.47Å; E482-R485 HydrophobicContact CG-CB 4.22Å; E482-R485 HydrophobicContact CG-CG 4.43Å; E482-R485 WeakPolarHBondContact OE1-CD 3.41Å; E482-R485 IonicContact OE1-CZ 3.22Å; E482-R485 IonicContact OE1-NE 2.99Å; E482-R485 IonicContact OE1-NH1 2.69Å; E482-R485 PolarHBondContact OE1-NH1 2.61Å; R485-L489 HydrophobicContact CG-CD1 3.85Å; R485-L489 HydrophobicContact CG-CG 4.48Å; R485-L489 WeakPolarHBondContact O-CA 3.29Å; R485-L489 WeakPolarHBondContact O-CB 3.38Å; R485-L489 PolarHBondContact O-N 3.33Å |
| 486 | R | 51.6 | Low | 57.5 | Low | 123 Ų | 123 | 106.4 Ų | 106.4 | 46% | 0.464 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -46.7 | 154.5 | -87.2 | 178.5 | -180 | 159.7 | 1.1 | 108.1 | E479 E482 Q488 L489 E490 | E479-R486 IonicContact OE1-CZ 2.73Å; E479-R486 IonicContact OE1-NH1 2.85Å; E479-R486 PolarHBondContact OE1-NH1 2.66Å; E479-R486 IonicContact OE1-NH2 3.75Å; E482-R486 WeakPolarHBondContact O-CA 3.44Å; E482-R486 WeakPolarHBondContact O-CB 3.23Å; E482-R486 WeakPolarHBondContact O-CG 3.49Å; E482-R486 PolarHBondContact O-N 3.02Å; E482-R486 VanDerWaalsContact O-N 3.08Å; R486-Q488 VanDerWaalsContact C-N 3.27Å; R486-Q488 PolarHBondContact O-N 2.92Å; R486-Q488 VanDerWaalsContact O-N 3.13Å; R486-L489 CarbonylContact O-C 3.58Å; R486-L489 VanDerWaalsContact O-C 3.31Å; R486-L489 PolarHBondContact O-N 2.87Å; R486-E490 HydrophobicContact CB-CG 4.24Å; R486-E490 WeakPolarHBondContact O-CA 3.3Å; R486-E490 WeakPolarHBondContact O-CB 3.46Å; R486-E490 WeakPolarHBondContact O-CG 3.37Å; R486-E490 PolarHBondContact O-N 2.96Å |
| 487 | R | 64.4 | Low | 57.9 | Low | 171 Ų | 171 | 106.1 Ų | 106.1 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56.8 | -33.8 | 175.6 | -86.8 | 168.9 | 167.5 | -165.3 | -4.9 | 114.8 | A483 E484 L491 | A483-R487 WeakPolarHBondContact O-CA 3.34Å; A483-R487 WeakPolarHBondContact O-CB 3.43Å; A483-R487 WeakPolarHBondContact O-CD 3.36Å; A483-R487 WeakPolarHBondContact O-CG 3.34Å; A483-R487 PolarHBondContact O-N 2.68Å; E484-R487 CarbonylContact O-C 3.14Å; E484-R487 WeakPolarHBondContact O-CA 3.09Å; E484-R487 WeakPolarHBondContact O-CB 3.31Å; E484-R487 PolarHBondContact O-N 3.18Å; E484-R487 IonicContact OE1-NH1 3.45Å; R487-L491 VanDerWaalsContact O-CB 3.3Å; R487-L491 WeakPolarHBondContact O-CB 3.25Å; R487-L491 PolarHBondContact O-N 3.45Å |
| 488 | Q | 63.3 | Low | 58.6 | Low | 139 Ų | 139 | 105.4 Ų | 105.4 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -83.2 | -44.7 | 177.1 | -74.1 | 178.2 | -8.6 | 0 | 0 | 112.2 | E484 R486 E490 L491 E492 | E484-Q488 WeakPolarHBondContact O-CB 3.2Å; E484-Q488 WeakPolarHBondContact O-CG 3.25Å; E484-Q488 PolarHBondContact O-N 3.02Å; R486-Q488 VanDerWaalsContact C-N 3.27Å; R486-Q488 PolarHBondContact O-N 2.92Å; R486-Q488 VanDerWaalsContact O-N 3.13Å; Q488-E490 PolarHBondContact O-N 3.36Å; Q488-L491 PolarHBondContact O-N 2.89Å; Q488-E492 WeakPolarHBondContact O-CA 3.33Å; Q488-E492 WeakPolarHBondContact O-CB 3.25Å; Q488-E492 PolarHBondContact O-N 2.95Å |
| 489 | L | 55.7 | Low | 59.4 | Low | 68 Ų | 68 | 106.4 Ų | 106.4 | 36% | 0.356 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76 | 3.3 | 167.9 | -75.4 | 162 | 0 | 0 | 0 | 112.9 | R485 R486 K493 | R485-L489 HydrophobicContact CG-CD1 3.85Å; R485-L489 HydrophobicContact CG-CG 4.48Å; R485-L489 WeakPolarHBondContact O-CA 3.29Å; R485-L489 WeakPolarHBondContact O-CB 3.38Å; R485-L489 PolarHBondContact O-N 3.33Å; R486-L489 CarbonylContact O-C 3.58Å; R486-L489 VanDerWaalsContact O-C 3.31Å; R486-L489 PolarHBondContact O-N 2.87Å; L489-K493 WeakPolarHBondContact O-CA 3.1Å; L489-K493 WeakPolarHBondContact O-CB 3.3Å; L489-K493 WeakPolarHBondContact O-CD 3.14Å; L489-K493 WeakPolarHBondContact O-CG 3.31Å; L489-K493 PolarHBondContact O-N 2.9Å |
| 490 | E | 57.6 | Low | 60.2 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 36% | 0.36 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -101.3 | -50.4 | 167.3 | -77 | 169.4 | 155.8 | 0 | 0 | 105.9 | R486 Q488 E492 K493 E494 | R486-E490 HydrophobicContact CB-CG 4.24Å; R486-E490 WeakPolarHBondContact O-CA 3.3Å; R486-E490 WeakPolarHBondContact O-CB 3.46Å; R486-E490 WeakPolarHBondContact O-CG 3.37Å; R486-E490 PolarHBondContact O-N 2.96Å; Q488-E490 PolarHBondContact O-N 3.36Å; E490-E492 PolarHBondContact O-N 3.48Å; E490-E492 VanDerWaalsContact O-N 3.09Å; E490-K493 CarbonylContact O-C 3.59Å; E490-K493 PolarHBondContact O-N 3.04Å; E490-K493 VanDerWaalsContact O-N 3.09Å; E490-E494 WeakPolarHBondContact O-CA 3.28Å; E490-E494 WeakPolarHBondContact O-CB 3.3Å; E490-E494 PolarHBondContact O-N 3.36Å |
| 491 | L | 64.8 | Low | 60.1 | Low | 129 Ų | 129 | 104 Ų | 104 | 68% | 0.675 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.1 | -36.5 | 169.5 | -142 | 80.8 | 0 | 0 | 0 | 111.6 | R487 Q488 L495 | R487-L491 VanDerWaalsContact O-CB 3.3Å; R487-L491 WeakPolarHBondContact O-CB 3.25Å; R487-L491 PolarHBondContact O-N 3.45Å; Q488-L491 PolarHBondContact O-N 2.89Å; L491-L495 WeakPolarHBondContact O-CB 3.48Å; L491-L495 PolarHBondContact O-N 2.94Å |
| 492 | E | 62.4 | Low | 60.6 | Low | 127 Ų | 127 | 103.3 Ų | 103.3 | 59% | 0.593 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -83 | -36.4 | 173.6 | -167.3 | 174.4 | -134.7 | 0 | 0 | 113.3 | Q488 E490 E494 A496 | Q488-E492 WeakPolarHBondContact O-CA 3.33Å; Q488-E492 WeakPolarHBondContact O-CB 3.25Å; Q488-E492 PolarHBondContact O-N 2.95Å; E490-E492 PolarHBondContact O-N 3.48Å; E490-E492 VanDerWaalsContact O-N 3.09Å; E492-E494 PolarHBondContact O-N 2.91Å; E492-A496 VanDerWaalsContact O-CA 3.26Å; E492-A496 WeakPolarHBondContact O-CA 3.42Å; E492-A496 WeakPolarHBondContact O-CB 3.48Å; E492-A496 PolarHBondContact O-N 2.92Å |
| 493 | K | 58.2 | Low | 61.4 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 52% | 0.517 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -84.9 | 25.1 | 164 | -59.1 | 168.1 | -175.2 | 174.9 | 0 | 113 | L489 E490 R497 | L489-K493 WeakPolarHBondContact O-CA 3.1Å; L489-K493 WeakPolarHBondContact O-CB 3.3Å; L489-K493 WeakPolarHBondContact O-CD 3.14Å; L489-K493 WeakPolarHBondContact O-CG 3.31Å; L489-K493 PolarHBondContact O-N 2.9Å; E490-K493 CarbonylContact O-C 3.59Å; E490-K493 PolarHBondContact O-N 3.04Å; E490-K493 VanDerWaalsContact O-N 3.09Å; K493-R497 WeakPolarHBondContact O-CA 3.32Å; K493-R497 WeakPolarHBondContact O-CB 3.43Å; K493-R497 WeakPolarHBondContact O-CD 3.3Å; K493-R497 WeakPolarHBondContact O-CG 3.47Å; K493-R497 PolarHBondContact O-N 3.31Å |
| 494 | E | 60.6 | Low | 61.7 | Low | 63 Ų | 63 | 108.6 Ų | 108.6 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -134.8 | -26.8 | 176.4 | -160.8 | 62.8 | -130.5 | 0 | 0 | 108.8 | E490 E492 R497 Q498 | E490-E494 WeakPolarHBondContact O-CA 3.28Å; E490-E494 WeakPolarHBondContact O-CB 3.3Å; E490-E494 PolarHBondContact O-N 3.36Å; E492-E494 PolarHBondContact O-N 2.91Å; E494-R497 WeakPolarHBondContact OE2-CD 3.17Å; E494-R497 IonicContact OE2-CZ 3.64Å; E494-R497 IonicContact OE2-NH1 3.62Å; E494-R497 PolarHBondContact OE2-NH1 3.2Å; E494-Q498 WeakPolarHBondContact O-CA 3.36Å; E494-Q498 WeakPolarHBondContact O-CB 3.22Å; E494-Q498 WeakPolarHBondContact O-CG 3.19Å; E494-Q498 PolarHBondContact O-N 2.95Å |
| 495 | L | 69.9 | Low | 61.4 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 147.9 | -91.7 | 161.1 | 0 | 0 | 0 | 111.7 | L491 R499 | L491-L495 WeakPolarHBondContact O-CB 3.48Å; L491-L495 PolarHBondContact O-N 2.94Å; L495-R499 VanDerWaalsContact O-CB 3.3Å; L495-R499 WeakPolarHBondContact O-CB 3.5Å; L495-R499 VanDerWaalsContact O-CG 3.26Å; L495-R499 WeakPolarHBondContact O-CG 3.18Å; L495-R499 PolarHBondContact O-N 3.46Å |
| 496 | A | 64.9 | Low | 61.6 | Low | 45 Ų | 45 | 104.2 Ų | 104.2 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -84 | -25 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E492 E500 | E492-A496 VanDerWaalsContact O-CA 3.26Å; E492-A496 WeakPolarHBondContact O-CA 3.42Å; E492-A496 WeakPolarHBondContact O-CB 3.48Å; E492-A496 PolarHBondContact O-N 2.92Å; A496-E500 WeakPolarHBondContact O-CA 3.27Å; A496-E500 WeakPolarHBondContact O-CB 3.22Å; A496-E500 PolarHBondContact O-N 2.83Å |
| 497 | R | 62 | Low | 62 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -52.8 | 156.4 | -82.4 | 173.8 | -151.9 | 128 | -4.5 | 108.7 | K493 E494 R499 E500 M501 | K493-R497 WeakPolarHBondContact O-CA 3.32Å; K493-R497 WeakPolarHBondContact O-CB 3.43Å; K493-R497 WeakPolarHBondContact O-CD 3.3Å; K493-R497 WeakPolarHBondContact O-CG 3.47Å; K493-R497 PolarHBondContact O-N 3.31Å; E494-R497 WeakPolarHBondContact OE2-CD 3.17Å; E494-R497 IonicContact OE2-CZ 3.64Å; E494-R497 IonicContact OE2-NH1 3.62Å; E494-R497 PolarHBondContact OE2-NH1 3.2Å; R497-R499 CarbonylContact O-C 3.55Å; R497-R499 PolarHBondContact O-N 3.32Å; R497-E500 CarbonylContact O-C 3.34Å; R497-E500 PolarHBondContact O-N 3.26Å; R497-M501 HydrophobicContact CB-CE 4.12Å; R497-M501 WeakPolarHBondContact O-CA 3.25Å; R497-M501 WeakPolarHBondContact O-CB 3.36Å; R497-M501 PolarHBondContact O-N 2.95Å |
| 498 | Q | 65.4 | Low | 61.4 | Low | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.1 | -28.5 | -180 | -75.1 | 165.4 | 23.5 | 0 | 0 | 113.5 | E494 M501 Q502 | E494-Q498 WeakPolarHBondContact O-CA 3.36Å; E494-Q498 WeakPolarHBondContact O-CB 3.22Å; E494-Q498 WeakPolarHBondContact O-CG 3.19Å; E494-Q498 PolarHBondContact O-N 2.95Å; Q498-M501 CarbonylContact O-C 3.55Å; Q498-Q502 WeakPolarHBondContact O-CA 3.48Å; Q498-Q502 WeakPolarHBondContact O-CB 3.13Å; Q498-Q502 WeakPolarHBondContact O-CG 3.14Å; Q498-Q502 PolarHBondContact O-N 2.87Å |
| 499 | R | 69.7 | Low | 61.4 | Low | 171 Ų | 171 | 96.2 Ų | 96.2 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -81.3 | -43.9 | 168.8 | -72.9 | 174.2 | -179.1 | 168.2 | 1.6 | 113.8 | L495 R497 M501 Q502 L503 | L495-R499 VanDerWaalsContact O-CB 3.3Å; L495-R499 WeakPolarHBondContact O-CB 3.5Å; L495-R499 VanDerWaalsContact O-CG 3.26Å; L495-R499 WeakPolarHBondContact O-CG 3.18Å; L495-R499 PolarHBondContact O-N 3.46Å; R497-R499 CarbonylContact O-C 3.55Å; R497-R499 PolarHBondContact O-N 3.32Å; R499-M501 PolarHBondContact O-N 3.47Å; R499-Q502 CarbonylContact O-C 2.82Å; R499-Q502 PolarHBondContact O-N 3.23Å; R499-L503 WeakPolarHBondContact O-CA 3.49Å; R499-L503 WeakPolarHBondContact O-CB 3.14Å; R499-L503 WeakPolarHBondContact O-CG 3.03Å; R499-L503 PolarHBondContact O-N 2.85Å |
| 500 | E | 59.3 | Low | 61.8 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79.2 | 11.1 | 173.2 | -156.9 | -156.9 | -171.9 | 0 | 0 | 112.2 | A496 R497 R504 | A496-E500 WeakPolarHBondContact O-CA 3.27Å; A496-E500 WeakPolarHBondContact O-CB 3.22Å; A496-E500 PolarHBondContact O-N 2.83Å; R497-E500 CarbonylContact O-C 3.34Å; R497-E500 PolarHBondContact O-N 3.26Å; E500-R504 VanDerWaalsContact CD-CZ 3.49Å; E500-R504 WeakPolarHBondContact O-CA 3.42Å; E500-R504 WeakPolarHBondContact O-CB 3.31Å; E500-R504 WeakPolarHBondContact O-CG 3.27Å; E500-R504 PolarHBondContact O-N 2.88Å; E500-R504 IonicContact OE1-CZ 2.71Å; E500-R504 VanDerWaalsContact OE1-CZ 3.24Å; E500-R504 IonicContact OE1-NH1 2.98Å; E500-R504 PolarHBondContact OE1-NH1 3.02Å; E500-R504 VanDerWaalsContact OE1-NH1 3.12Å; E500-R504 IonicContact OE1-NH2 3.95Å; E500-R504 PolarHBondContact OE1-NH2 3.4Å; E500-R504 IonicContact OE2-CZ 3.73Å; E500-R504 IonicContact OE2-NH1 3.95Å; E500-R504 PolarHBondContact OE2-NH1 2.96Å; E500-R504 IonicContact OE2-NH2 3.77Å |
| 501 | M | 58.4 | Low | 62.2 | Low | 67 Ų | 67 | 99 Ų | 99 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | -7.8 | 179.1 | -158.3 | -150.1 | -62.4 | 0 | 0 | 110 | R497 Q498 R499 Q505 | R497-M501 HydrophobicContact CB-CE 4.12Å; R497-M501 WeakPolarHBondContact O-CA 3.25Å; R497-M501 WeakPolarHBondContact O-CB 3.36Å; R497-M501 PolarHBondContact O-N 2.95Å; Q498-M501 CarbonylContact O-C 3.55Å; R499-M501 PolarHBondContact O-N 3.47Å; M501-Q505 VanDerWaalsContact C-N 3.34Å; M501-Q505 HydrophobicContact CG-CG 4.24Å; M501-Q505 WeakPolarHBondContact O-CA 3.42Å; M501-Q505 WeakPolarHBondContact O-CB 3.41Å; M501-Q505 WeakPolarHBondContact O-CG 3.38Å; M501-Q505 PolarHBondContact O-N 2.83Å; M501-Q505 PolarHBondContact SD-NE2 3.16Å; M501-Q505 VanDerWaalsContact SD-NE2 3.38Å |
| 502 | Q | 62.9 | Low | 61.9 | Low | 134 Ų | 134 | 98.1 Ų | 98.1 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.8 | 145.7 | -74 | 166.5 | 10.4 | 0 | 0 | 110.9 | Q498 R499 G506 | Q498-Q502 WeakPolarHBondContact O-CA 3.48Å; Q498-Q502 WeakPolarHBondContact O-CB 3.13Å; Q498-Q502 WeakPolarHBondContact O-CG 3.14Å; Q498-Q502 PolarHBondContact O-N 2.87Å; R499-Q502 CarbonylContact O-C 2.82Å; R499-Q502 PolarHBondContact O-N 3.23Å; Q502-G506 WeakPolarHBondContact O-CA 3.41Å; Q502-G506 PolarHBondContact O-N 2.87Å |
| 503 | L | 64.2 | Low | 61.9 | Low | 114 Ų | 114 | 97.1 Ų | 97.1 | 60% | 0.597 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -21 | 163.4 | -75.6 | 156.8 | 0 | 0 | 0 | 112.3 | R499 E507 | R499-L503 WeakPolarHBondContact O-CA 3.49Å; R499-L503 WeakPolarHBondContact O-CB 3.14Å; R499-L503 WeakPolarHBondContact O-CG 3.03Å; R499-L503 PolarHBondContact O-N 2.85Å; L503-E507 WeakPolarHBondContact O-CA 3.15Å; L503-E507 WeakPolarHBondContact O-CB 3.29Å; L503-E507 WeakPolarHBondContact O-CG 3.38Å; L503-E507 PolarHBondContact O-N 2.7Å |
| 504 | R | 60.9 | Low | 62.4 | Low | 105 Ų | 105 | 95.8 Ų | 95.8 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.9 | -44.1 | 156.2 | -82 | -178.4 | -169.9 | 97.6 | 13.9 | 111.6 | E500 G506 E507 E508 | E500-R504 VanDerWaalsContact CD-CZ 3.49Å; E500-R504 WeakPolarHBondContact O-CA 3.42Å; E500-R504 WeakPolarHBondContact O-CB 3.31Å; E500-R504 WeakPolarHBondContact O-CG 3.27Å; E500-R504 PolarHBondContact O-N 2.88Å; E500-R504 IonicContact OE1-CZ 2.71Å; E500-R504 VanDerWaalsContact OE1-CZ 3.24Å; E500-R504 IonicContact OE1-NH1 2.98Å; E500-R504 PolarHBondContact OE1-NH1 3.02Å; E500-R504 VanDerWaalsContact OE1-NH1 3.12Å; E500-R504 IonicContact OE1-NH2 3.95Å; E500-R504 PolarHBondContact OE1-NH2 3.4Å; E500-R504 IonicContact OE2-CZ 3.73Å; E500-R504 IonicContact OE2-NH1 3.95Å; E500-R504 PolarHBondContact OE2-NH1 2.96Å; E500-R504 IonicContact OE2-NH2 3.77Å; R504-G506 PolarHBondContact O-N 3.41Å; R504-E507 CarbonylContact O-C 3.46Å; R504-E507 PolarHBondContact O-N 3.4Å; R504-E508 HydrophobicContact CB-CG 3.98Å; R504-E508 VanDerWaalsContact CD-OE1 3.3Å; R504-E508 WeakPolarHBondContact CD-OE1 3.42Å; R504-E508 HydrophobicContact CG-CG 4.18Å; R504-E508 WeakPolarHBondContact O-CA 3.37Å; R504-E508 WeakPolarHBondContact O-CB 3.16Å; R504-E508 WeakPolarHBondContact O-CG 3.09Å; R504-E508 PolarHBondContact O-N 3.36Å |
| 505 | Q | 51.4 | Low | 62.3 | Low | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.5 | -27.2 | 165.4 | -63.4 | 161.3 | 21.6 | 0 | 0 | 110.8 | M501 H509 | M501-Q505 VanDerWaalsContact C-N 3.34Å; M501-Q505 HydrophobicContact CG-CG 4.24Å; M501-Q505 WeakPolarHBondContact O-CA 3.42Å; M501-Q505 WeakPolarHBondContact O-CB 3.41Å; M501-Q505 WeakPolarHBondContact O-CG 3.38Å; M501-Q505 PolarHBondContact O-N 2.83Å; M501-Q505 PolarHBondContact SD-NE2 3.16Å; M501-Q505 VanDerWaalsContact SD-NE2 3.38Å; Q505-H509 VanDerWaalsContact O-CA 3.26Å; Q505-H509 WeakPolarHBondContact O-CA 3.3Å; Q505-H509 WeakPolarHBondContact O-CB 3.31Å; Q505-H509 PolarHBondContact O-N 2.92Å |
| 506 | G | 65.6 | Low | 62 | Low | 34 Ų | 34 | 103.7 Ų | 103.7 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -46.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q502 R504 R510 | Q502-G506 WeakPolarHBondContact O-CA 3.41Å; Q502-G506 PolarHBondContact O-N 2.87Å; R504-G506 PolarHBondContact O-N 3.41Å; G506-R510 WeakPolarHBondContact O-CA 3.33Å; G506-R510 WeakPolarHBondContact O-CB 3.43Å; G506-R510 PolarHBondContact O-N 3.48Å |
| 507 | E | 60.1 | Low | 61.7 | Low | 64 Ų | 64 | 106 Ų | 106 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -96.2 | -5.9 | -179 | -65.2 | -138.8 | 136 | 0 | 0 | 114.6 | L503 R504 R510 K511 | L503-E507 WeakPolarHBondContact O-CA 3.15Å; L503-E507 WeakPolarHBondContact O-CB 3.29Å; L503-E507 WeakPolarHBondContact O-CG 3.38Å; L503-E507 PolarHBondContact O-N 2.7Å; R504-E507 CarbonylContact O-C 3.46Å; R504-E507 PolarHBondContact O-N 3.4Å; E507-R510 IonicContact OE1-CZ 3.36Å; E507-R510 VanDerWaalsContact OE1-CZ 3.29Å; E507-R510 IonicContact OE1-NH1 3.72Å; E507-R510 PolarHBondContact OE1-NH1 3.44Å; E507-R510 IonicContact OE1-NH2 2.76Å; E507-R510 PolarHBondContact OE1-NH2 2.7Å; E507-R510 IonicContact OE2-NH2 2.74Å; E507-K511 VanDerWaalsContact C-N 3.28Å; E507-K511 VanDerWaalsContact O-CA 3.25Å; E507-K511 WeakPolarHBondContact O-CA 3.34Å; E507-K511 WeakPolarHBondContact O-CB 3.29Å; E507-K511 WeakPolarHBondContact O-CD 3.29Å; E507-K511 WeakPolarHBondContact O-CG 3.44Å; E507-K511 PolarHBondContact O-N 3.14Å; E507-K511 IonicContact OE2-NZ 3.14Å; E507-K511 PolarHBondContact OE2-NZ 2.79Å |
| 508 | E | 52.9 | Low | 62.1 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -113.6 | -5.6 | 171 | -52.4 | 172.4 | 160.1 | 0 | 0 | 109.6 | R504 M512 | R504-E508 HydrophobicContact CB-CG 3.98Å; R504-E508 VanDerWaalsContact CD-OE1 3.3Å; R504-E508 WeakPolarHBondContact CD-OE1 3.42Å; R504-E508 HydrophobicContact CG-CG 4.18Å; R504-E508 WeakPolarHBondContact O-CA 3.37Å; R504-E508 WeakPolarHBondContact O-CB 3.16Å; R504-E508 WeakPolarHBondContact O-CG 3.09Å; R504-E508 PolarHBondContact O-N 3.36Å; E508-M512 VanDerWaalsContact C-N 3.26Å; E508-M512 VanDerWaalsContact O-CA 3.26Å; E508-M512 WeakPolarHBondContact O-CA 3.48Å; E508-M512 WeakPolarHBondContact O-CB 3.37Å; E508-M512 WeakPolarHBondContact O-CE 3.37Å; E508-M512 WeakPolarHBondContact O-CG 3.05Å; E508-M512 PolarHBondContact O-N 3.37Å |
| 509 | H | 63.2 | Low | 62.3 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -96.4 | -22.8 | 150.2 | -154.5 | 93.7 | 0 | 0 | 0 | 110.4 | Q505 M513 | Q505-H509 VanDerWaalsContact O-CA 3.26Å; Q505-H509 WeakPolarHBondContact O-CA 3.3Å; Q505-H509 WeakPolarHBondContact O-CB 3.31Å; Q505-H509 PolarHBondContact O-N 2.92Å; H509-M513 WeakPolarHBondContact O-CA 3.09Å; H509-M513 WeakPolarHBondContact O-CB 3.49Å; H509-M513 WeakPolarHBondContact O-CG 3.33Å; H509-M513 PolarHBondContact O-N 3.35Å |
| 510 | R | 62.9 | Low | 62.2 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.3 | -41 | 158 | -158.2 | -172.1 | 71.5 | -122.6 | -1.4 | 111 | G506 E507 M513 E514 | G506-R510 WeakPolarHBondContact O-CA 3.33Å; G506-R510 WeakPolarHBondContact O-CB 3.43Å; G506-R510 PolarHBondContact O-N 3.48Å; E507-R510 IonicContact OE1-CZ 3.36Å; E507-R510 VanDerWaalsContact OE1-CZ 3.29Å; E507-R510 IonicContact OE1-NH1 3.72Å; E507-R510 PolarHBondContact OE1-NH1 3.44Å; E507-R510 IonicContact OE1-NH2 2.76Å; E507-R510 PolarHBondContact OE1-NH2 2.7Å; E507-R510 IonicContact OE2-NH2 2.74Å; R510-M513 CarbonylContact O-C 3Å; R510-M513 PolarHBondContact O-N 3.41Å; R510-E514 HydrophobicContact CG-CG 4.24Å; R510-E514 WeakPolarHBondContact CG-OE2 3.26Å; R510-E514 IonicContact NE-OE1 3.13Å; R510-E514 IonicContact NE-OE2 2.72Å; R510-E514 PolarHBondContact NE-OE2 3.1Å; R510-E514 WeakPolarHBondContact O-CA 3.37Å; R510-E514 WeakPolarHBondContact O-CB 3.27Å; R510-E514 WeakPolarHBondContact O-CG 3.3Å; R510-E514 PolarHBondContact O-N 2.8Å |
| 511 | K | 65.8 | Low | 62.6 | Low | 90 Ų | 90 | 102.3 Ų | 102.3 | 39% | 0.391 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.3 | -15.2 | 168.9 | -63.8 | 157.6 | -171.1 | 139.6 | 0 | 113.9 | E507 Q515 | E507-K511 VanDerWaalsContact C-N 3.28Å; E507-K511 VanDerWaalsContact O-CA 3.25Å; E507-K511 WeakPolarHBondContact O-CA 3.34Å; E507-K511 WeakPolarHBondContact O-CB 3.29Å; E507-K511 WeakPolarHBondContact O-CD 3.29Å; E507-K511 WeakPolarHBondContact O-CG 3.44Å; E507-K511 PolarHBondContact O-N 3.14Å; E507-K511 IonicContact OE2-NZ 3.14Å; E507-K511 PolarHBondContact OE2-NZ 2.79Å; K511-Q515 VanDerWaalsContact O-CA 3.26Å; K511-Q515 WeakPolarHBondContact O-CA 3.41Å; K511-Q515 WeakPolarHBondContact O-CB 3.47Å; K511-Q515 WeakPolarHBondContact O-CG 3.48Å; K511-Q515 PolarHBondContact O-N 2.87Å |
| 512 | M | 58.7 | Low | 63.1 | Low | 110 Ų | 110 | 102.2 Ų | 102.2 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -83.6 | -25.9 | 159.9 | -80.9 | -175.7 | -90.6 | 0 | 0 | 111.4 | E508 R516 | E508-M512 VanDerWaalsContact C-N 3.26Å; E508-M512 VanDerWaalsContact O-CA 3.26Å; E508-M512 WeakPolarHBondContact O-CA 3.48Å; E508-M512 WeakPolarHBondContact O-CB 3.37Å; E508-M512 WeakPolarHBondContact O-CE 3.37Å; E508-M512 WeakPolarHBondContact O-CG 3.05Å; E508-M512 PolarHBondContact O-N 3.37Å; M512-R516 VanDerWaalsContact O-CA 3.29Å; M512-R516 WeakPolarHBondContact O-CA 3.17Å; M512-R516 WeakPolarHBondContact O-CB 3.37Å; M512-R516 PolarHBondContact O-N 2.84Å |
| 513 | M | 63.9 | Low | 63.2 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.4 | -50.7 | 167.8 | -69.7 | -71.9 | -98 | 0 | 0 | 108.7 | H509 R510 Q515 R516 E517 | H509-M513 WeakPolarHBondContact O-CA 3.09Å; H509-M513 WeakPolarHBondContact O-CB 3.49Å; H509-M513 WeakPolarHBondContact O-CG 3.33Å; H509-M513 PolarHBondContact O-N 3.35Å; R510-M513 CarbonylContact O-C 3Å; R510-M513 PolarHBondContact O-N 3.41Å; M513-Q515 PolarHBondContact O-N 2.9Å; M513-R516 CarbonylContact O-C 3.22Å; M513-R516 PolarHBondContact O-N 2.96Å; M513-E517 VanDerWaalsContact O-CA 3.28Å; M513-E517 WeakPolarHBondContact O-CA 3.41Å; M513-E517 WeakPolarHBondContact O-CB 3.16Å; M513-E517 PolarHBondContact O-N 2.94Å |
| 514 | E | 66.8 | Low | 63.3 | Low | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.5 | -27.6 | 172.9 | -65.3 | 170.3 | 130.7 | 0 | 0 | 113.8 | R510 A518 | R510-E514 HydrophobicContact CG-CG 4.24Å; R510-E514 WeakPolarHBondContact CG-OE2 3.26Å; R510-E514 IonicContact NE-OE1 3.13Å; R510-E514 IonicContact NE-OE2 2.72Å; R510-E514 PolarHBondContact NE-OE2 3.1Å; R510-E514 WeakPolarHBondContact O-CA 3.37Å; R510-E514 WeakPolarHBondContact O-CB 3.27Å; R510-E514 WeakPolarHBondContact O-CG 3.3Å; R510-E514 PolarHBondContact O-N 2.8Å; E514-A518 VanDerWaalsContact O-CA 3.24Å; E514-A518 WeakPolarHBondContact O-CA 3.48Å; E514-A518 WeakPolarHBondContact O-CB 3.3Å; E514-A518 PolarHBondContact O-N 2.82Å |
| 515 | Q | 59.9 | Low | 63.7 | Low | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -93.6 | -20.2 | 169.8 | -66.3 | 175.7 | -9.5 | 0 | 0 | 113 | K511 M513 E517 A519 | K511-Q515 VanDerWaalsContact O-CA 3.26Å; K511-Q515 WeakPolarHBondContact O-CA 3.41Å; K511-Q515 WeakPolarHBondContact O-CB 3.47Å; K511-Q515 WeakPolarHBondContact O-CG 3.48Å; K511-Q515 PolarHBondContact O-N 2.87Å; M513-Q515 PolarHBondContact O-N 2.9Å; Q515-E517 VanDerWaalsContact C-N 3.32Å; Q515-A519 VanDerWaalsContact O-CA 3.22Å; Q515-A519 WeakPolarHBondContact O-CA 3.3Å; Q515-A519 WeakPolarHBondContact O-CB 3.31Å; Q515-A519 PolarHBondContact O-N 2.98Å |
| 516 | R | 63 | Low | 64.6 | Low | 190 Ų | 190 | 97.8 Ų | 97.8 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -83.7 | -15.4 | 166.8 | -169.6 | -178 | -175.5 | 179.2 | 3.1 | 110.9 | M512 M513 R520 | M512-R516 VanDerWaalsContact O-CA 3.29Å; M512-R516 WeakPolarHBondContact O-CA 3.17Å; M512-R516 WeakPolarHBondContact O-CB 3.37Å; M512-R516 PolarHBondContact O-N 2.84Å; M513-R516 CarbonylContact O-C 3.22Å; M513-R516 PolarHBondContact O-N 2.96Å; R516-R520 WeakPolarHBondContact O-CA 3.32Å; R516-R520 WeakPolarHBondContact O-CB 3.41Å; R516-R520 PolarHBondContact O-N 3.38Å |
| 517 | E | 59.4 | Low | 64.7 | Low | 93 Ų | 93 | 103.9 Ų | 103.9 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -105.5 | -25.1 | 175.4 | -160.1 | -158.1 | -148.1 | 0 | 0 | 110.6 | M513 Q515 R521 | M513-E517 VanDerWaalsContact O-CA 3.28Å; M513-E517 WeakPolarHBondContact O-CA 3.41Å; M513-E517 WeakPolarHBondContact O-CB 3.16Å; M513-E517 PolarHBondContact O-N 2.94Å; Q515-E517 VanDerWaalsContact C-N 3.32Å; E517-R521 VanDerWaalsContact CD-CZ 3.42Å; E517-R521 WeakPolarHBondContact O-CA 3.48Å; E517-R521 WeakPolarHBondContact O-CB 3.3Å; E517-R521 WeakPolarHBondContact O-CG 3.45Å; E517-R521 PolarHBondContact O-N 2.87Å; E517-R521 PolarHBondContact O-NH1 3.16Å; E517-R521 IonicContact OE1-CZ 3.24Å; E517-R521 IonicContact OE1-NH2 2.72Å; E517-R521 PolarHBondContact OE1-NH2 2.8Å; E517-R521 IonicContact OE2-CZ 2.59Å; E517-R521 IonicContact OE2-NH1 2.71Å; E517-R521 PolarHBondContact OE2-NH1 3.33Å; E517-R521 IonicContact OE2-NH2 3.15Å; E517-R521 PolarHBondContact OE2-NH2 2.87Å |
| 518 | A | 70.2 | Confident | 65.1 | Low | 49 Ų | 49 | 105.8 Ų | 105.8 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -82.7 | -29.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E514 R521 E522 | E514-A518 VanDerWaalsContact O-CA 3.24Å; E514-A518 WeakPolarHBondContact O-CA 3.48Å; E514-A518 WeakPolarHBondContact O-CB 3.3Å; E514-A518 PolarHBondContact O-N 2.82Å; A518-R521 CarbonylContact O-C 3.54Å; A518-E522 WeakPolarHBondContact O-CA 3.19Å; A518-E522 WeakPolarHBondContact O-CB 3.43Å; A518-E522 PolarHBondContact O-N 3.35Å |
| 519 | A | 70.1 | Confident | 65.9 | Low | 55 Ų | 55 | 104.5 Ų | 104.5 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -83.6 | -13.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q515 L523 | Q515-A519 VanDerWaalsContact O-CA 3.22Å; Q515-A519 WeakPolarHBondContact O-CA 3.3Å; Q515-A519 WeakPolarHBondContact O-CB 3.31Å; Q515-A519 PolarHBondContact O-N 2.98Å; A519-L523 WeakPolarHBondContact O-CA 3.32Å; A519-L523 WeakPolarHBondContact O-CB 3.47Å; A519-L523 PolarHBondContact O-N 3.15Å |
| 520 | R | 67.7 | Low | 66.3 | Low | 146 Ų | 146 | 105 Ų | 105 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -84.9 | -32 | 161.5 | -177.8 | -175.5 | -168.4 | -67.5 | -4.9 | 111.1 | R516 L523 E524 | R516-R520 WeakPolarHBondContact O-CA 3.32Å; R516-R520 WeakPolarHBondContact O-CB 3.41Å; R516-R520 PolarHBondContact O-N 3.38Å; R520-L523 CarbonylContact O-C 3.31Å; R520-E524 HydrophobicContact CG-CG 4.29Å; R520-E524 IonicContact CZ-OE1 3.66Å; R520-E524 IonicContact CZ-OE2 2.99Å; R520-E524 IonicContact NH1-OE1 3.12Å; R520-E524 PolarHBondContact NH1-OE1 2.85Å; R520-E524 IonicContact NH1-OE2 3.88Å; R520-E524 PolarHBondContact NH1-OE2 2.75Å; R520-E524 IonicContact NH2-OE1 3.44Å; R520-E524 PolarHBondContact NH2-OE1 3.33Å; R520-E524 VanDerWaalsContact O-CA 3.31Å; R520-E524 WeakPolarHBondContact O-CA 3.37Å; R520-E524 WeakPolarHBondContact O-CB 3.18Å; R520-E524 WeakPolarHBondContact O-CG 3.47Å; R520-E524 PolarHBondContact O-N 3.19Å |
| 521 | R | 67.4 | Low | 66.6 | Low | 137 Ų | 137 | 107 Ų | 107 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.5 | -29.9 | 164.7 | -75.9 | 176.4 | -162.4 | 96.8 | -0.3 | 112.5 | E517 A518 E524 R525 | E517-R521 VanDerWaalsContact CD-CZ 3.42Å; E517-R521 WeakPolarHBondContact O-CA 3.48Å; E517-R521 WeakPolarHBondContact O-CB 3.3Å; E517-R521 WeakPolarHBondContact O-CG 3.45Å; E517-R521 PolarHBondContact O-N 2.87Å; E517-R521 PolarHBondContact O-NH1 3.16Å; E517-R521 IonicContact OE1-CZ 3.24Å; E517-R521 IonicContact OE1-NH2 2.72Å; E517-R521 PolarHBondContact OE1-NH2 2.8Å; E517-R521 IonicContact OE2-CZ 2.59Å; E517-R521 IonicContact OE2-NH1 2.71Å; E517-R521 PolarHBondContact OE2-NH1 3.33Å; E517-R521 IonicContact OE2-NH2 3.15Å; E517-R521 PolarHBondContact OE2-NH2 2.87Å; A518-R521 CarbonylContact O-C 3.54Å; R521-E524 CarbonylContact O-C 3.52Å; R521-R525 WeakPolarHBondContact O-CA 3.21Å; R521-R525 WeakPolarHBondContact O-CB 3.26Å; R521-R525 PolarHBondContact O-N 2.73Å |
| 522 | E | 67.5 | Low | 66.8 | Low | 65 Ų | 65 | 108.1 Ų | 108.1 | 30% | 0.304 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -89.6 | -22.1 | 177.5 | 178.1 | 60.2 | -158.5 | 0 | 0 | 111.4 | A518 R525 Q526 | A518-E522 WeakPolarHBondContact O-CA 3.19Å; A518-E522 WeakPolarHBondContact O-CB 3.43Å; A518-E522 PolarHBondContact O-N 3.35Å; E522-R525 IonicContact OE1-CZ 3.59Å; E522-R525 IonicContact OE1-NE 2.77Å; E522-R525 IonicContact OE1-NH2 3.26Å; E522-R525 PolarHBondContact OE1-NH2 3Å; E522-R525 IonicContact OE2-CZ 3.52Å; E522-R525 IonicContact OE2-NE 2.7Å; E522-R525 PolarHBondContact OE2-NE 3.31Å; E522-R525 IonicContact OE2-NH2 2.78Å; E522-R525 PolarHBondContact OE2-NH2 3.23Å; E522-Q526 WeakPolarHBondContact O-CA 3.48Å; E522-Q526 WeakPolarHBondContact O-CB 3.37Å; E522-Q526 WeakPolarHBondContact O-CG 3.31Å; E522-Q526 PolarHBondContact O-N 3.45Å; E522-Q526 PolarHBondContact OE1-NE2 3.42Å |
| 523 | L | 66.3 | Low | 67.4 | Low | 90 Ų | 90 | 109.5 Ų | 109.5 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -90.4 | -16.1 | 165.2 | -163.1 | 144.8 | 0 | 0 | 0 | 111.7 | A519 R520 R527 | A519-L523 WeakPolarHBondContact O-CA 3.32Å; A519-L523 WeakPolarHBondContact O-CB 3.47Å; A519-L523 PolarHBondContact O-N 3.15Å; R520-L523 CarbonylContact O-C 3.31Å; L523-R527 HydrophobicContact CD2-CG 4.2Å; L523-R527 WeakPolarHBondContact O-CA 3.25Å; L523-R527 WeakPolarHBondContact O-CB 3.37Å; L523-R527 WeakPolarHBondContact O-CD 3.36Å; L523-R527 WeakPolarHBondContact O-CG 3.48Å; L523-R527 PolarHBondContact O-N 3.19Å |
| 524 | E | 65.2 | Low | 67.7 | Low | 71 Ų | 71 | 111.3 Ų | 111.3 | 33% | 0.332 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -84 | -24.1 | 160.1 | -72.8 | 169.4 | 148.6 | 0 | 0 | 110.8 | R520 R521 L528 | R520-E524 HydrophobicContact CG-CG 4.29Å; R520-E524 IonicContact CZ-OE1 3.66Å; R520-E524 IonicContact CZ-OE2 2.99Å; R520-E524 IonicContact NH1-OE1 3.12Å; R520-E524 PolarHBondContact NH1-OE1 2.85Å; R520-E524 IonicContact NH1-OE2 3.88Å; R520-E524 PolarHBondContact NH1-OE2 2.75Å; R520-E524 IonicContact NH2-OE1 3.44Å; R520-E524 PolarHBondContact NH2-OE1 3.33Å; R520-E524 VanDerWaalsContact O-CA 3.31Å; R520-E524 WeakPolarHBondContact O-CA 3.37Å; R520-E524 WeakPolarHBondContact O-CB 3.18Å; R520-E524 WeakPolarHBondContact O-CG 3.47Å; R520-E524 PolarHBondContact O-N 3.19Å; R521-E524 CarbonylContact O-C 3.52Å; E524-L528 WeakPolarHBondContact O-CA 3.34Å; E524-L528 WeakPolarHBondContact O-CB 3.37Å; E524-L528 WeakPolarHBondContact O-CD1 3.49Å; E524-L528 WeakPolarHBondContact O-CG 3.31Å; E524-L528 PolarHBondContact O-N 3.22Å |
| 525 | R | 69 | Low | 68 | Low | 126 Ų | 126 | 111.4 Ų | 111.4 | 48% | 0.475 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -83.1 | -34 | 168.3 | -164 | -166.4 | 71.9 | 80.4 | 6.8 | 111.2 | R521 E522 L528 V529 | R521-R525 WeakPolarHBondContact O-CA 3.21Å; R521-R525 WeakPolarHBondContact O-CB 3.26Å; R521-R525 PolarHBondContact O-N 2.73Å; E522-R525 IonicContact OE1-CZ 3.59Å; E522-R525 IonicContact OE1-NE 2.77Å; E522-R525 IonicContact OE1-NH2 3.26Å; E522-R525 PolarHBondContact OE1-NH2 3Å; E522-R525 IonicContact OE2-CZ 3.52Å; E522-R525 IonicContact OE2-NE 2.7Å; E522-R525 PolarHBondContact OE2-NE 3.31Å; E522-R525 IonicContact OE2-NH2 2.78Å; E522-R525 PolarHBondContact OE2-NH2 3.23Å; R525-L528 CarbonylContact O-C 3.11Å; R525-L528 PolarHBondContact O-N 2.89Å; R525-V529 HydrophobicContact CG-CG2 4.35Å; R525-V529 WeakPolarHBondContact O-CA 3.39Å; R525-V529 WeakPolarHBondContact O-CB 3.4Å; R525-V529 WeakPolarHBondContact O-CG2 3.47Å; R525-V529 PolarHBondContact O-N 3.44Å |
| 526 | Q | 70.5 | Confident | 68.5 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.2 | -38.4 | 167.8 | -73.8 | 167.1 | 22.9 | 0 | 0 | 109.7 | E522 L528 V529 E530 | E522-Q526 WeakPolarHBondContact O-CA 3.48Å; E522-Q526 WeakPolarHBondContact O-CB 3.37Å; E522-Q526 WeakPolarHBondContact O-CG 3.31Å; E522-Q526 PolarHBondContact O-N 3.45Å; E522-Q526 PolarHBondContact OE1-NE2 3.42Å; Q526-L528 VanDerWaalsContact C-N 3.34Å; Q526-L528 PolarHBondContact O-N 2.99Å; Q526-V529 PolarHBondContact O-N 2.74Å; Q526-E530 WeakPolarHBondContact O-CA 3.45Å; Q526-E530 WeakPolarHBondContact O-CB 3.18Å; Q526-E530 WeakPolarHBondContact O-CG 3.46Å; Q526-E530 PolarHBondContact O-N 2.81Å |
| 527 | R | 68.3 | Low | 68.9 | Low | 162 Ų | 162 | 106 Ų | 106 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -32.4 | 165.6 | -78.2 | 172 | 178 | -173 | -0.4 | 112.7 | L523 W531 | L523-R527 HydrophobicContact CD2-CG 4.2Å; L523-R527 WeakPolarHBondContact O-CA 3.25Å; L523-R527 WeakPolarHBondContact O-CB 3.37Å; L523-R527 WeakPolarHBondContact O-CD 3.36Å; L523-R527 WeakPolarHBondContact O-CG 3.48Å; L523-R527 PolarHBondContact O-N 3.19Å; R527-W531 VanDerWaalsContact O-CA 3.29Å; R527-W531 WeakPolarHBondContact O-CA 3.48Å; R527-W531 WeakPolarHBondContact O-CB 3.42Å; R527-W531 PolarHBondContact O-N 3.32Å |
| 528 | L | 68 | Low | 69.5 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.2 | -35.3 | 175 | -85.2 | 162.4 | 0 | 0 | 0 | 110.8 | E524 R525 Q526 W531 E532 | E524-L528 WeakPolarHBondContact O-CA 3.34Å; E524-L528 WeakPolarHBondContact O-CB 3.37Å; E524-L528 WeakPolarHBondContact O-CD1 3.49Å; E524-L528 WeakPolarHBondContact O-CG 3.31Å; E524-L528 PolarHBondContact O-N 3.22Å; R525-L528 CarbonylContact O-C 3.11Å; R525-L528 PolarHBondContact O-N 2.89Å; Q526-L528 VanDerWaalsContact C-N 3.34Å; Q526-L528 PolarHBondContact O-N 2.99Å; L528-W531 HydrophobicContact CD2-CE3 4.46Å; L528-E532 VanDerWaalsContact O-CA 3.32Å; L528-E532 WeakPolarHBondContact O-CA 3.34Å; L528-E532 WeakPolarHBondContact O-CB 3.36Å; L528-E532 PolarHBondContact O-N 2.7Å |
| 529 | V | 70.3 | Confident | 69.5 | Low | 60 Ų | 60 | 107.2 Ų | 107.2 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -80.6 | -29.9 | 176.9 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | R525 Q526 K533 | R525-V529 HydrophobicContact CG-CG2 4.35Å; R525-V529 WeakPolarHBondContact O-CA 3.39Å; R525-V529 WeakPolarHBondContact O-CB 3.4Å; R525-V529 WeakPolarHBondContact O-CG2 3.47Å; R525-V529 PolarHBondContact O-N 3.44Å; Q526-V529 PolarHBondContact O-N 2.74Å; V529-K533 WeakPolarHBondContact O-CA 3.25Å; V529-K533 WeakPolarHBondContact O-CB 3.28Å; V529-K533 PolarHBondContact O-N 2.81Å |
| 530 | E | 71.9 | Confident | 69.4 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -79.2 | -34.7 | 170.1 | -71.4 | -178.2 | 151.2 | 0 | 0 | 111 | Q526 K533 M534 | Q526-E530 WeakPolarHBondContact O-CA 3.45Å; Q526-E530 WeakPolarHBondContact O-CB 3.18Å; Q526-E530 WeakPolarHBondContact O-CG 3.46Å; Q526-E530 PolarHBondContact O-N 2.81Å; E530-K533 CarbonylContact O-C 3.49Å; E530-M534 WeakPolarHBondContact O-CA 3.36Å; E530-M534 WeakPolarHBondContact O-CB 3.28Å; E530-M534 WeakPolarHBondContact O-CG 3.41Å; E530-M534 PolarHBondContact O-N 3.24Å |
| 531 | W | 67.9 | Low | 69.5 | Low | 157 Ų | 157 | 106.1 Ų | 106.1 | 60% | 0.595 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.6 | -39.9 | 168.6 | 179.6 | 88.8 | 0 | 0 | 0 | 110.2 | R527 L528 K533 M534 R535 | R527-W531 VanDerWaalsContact O-CA 3.29Å; R527-W531 WeakPolarHBondContact O-CA 3.48Å; R527-W531 WeakPolarHBondContact O-CB 3.42Å; R527-W531 PolarHBondContact O-N 3.32Å; L528-W531 HydrophobicContact CD2-CE3 4.46Å; W531-K533 VanDerWaalsContact C-N 3.33Å; W531-M534 CarbonylContact O-C 3.17Å; W531-M534 PolarHBondContact O-N 3.22Å; W531-R535 HydrophobicContact CE3-CB 4.45Å; W531-R535 HydrophobicContact CH2-CG 4.34Å; W531-R535 HydrophobicContact CZ3-CG 4.46Å; W531-R535 WeakPolarHBondContact O-CA 3.14Å; W531-R535 WeakPolarHBondContact O-CB 3.15Å; W531-R535 PolarHBondContact O-N 3.15Å |
| 532 | E | 69.9 | Low | 69.5 | Low | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.7 | -25.9 | 175.1 | -176.4 | 171.9 | -120.9 | 0 | 0 | 111.2 | L528 R535 L536 | L528-E532 VanDerWaalsContact O-CA 3.32Å; L528-E532 WeakPolarHBondContact O-CA 3.34Å; L528-E532 WeakPolarHBondContact O-CB 3.36Å; L528-E532 PolarHBondContact O-N 2.7Å; E532-R535 CarbonylContact O-C 2.73Å; E532-L536 HydrophobicContact CG-CD1 4.38Å; E532-L536 WeakPolarHBondContact O-CA 3.46Å; E532-L536 WeakPolarHBondContact O-CB 3.25Å; E532-L536 WeakPolarHBondContact O-CD1 3.25Å; E532-L536 VanDerWaalsContact O-CG 3.28Å; E532-L536 WeakPolarHBondContact O-CG 3.34Å; E532-L536 PolarHBondContact O-N 3.16Å |
| 533 | K | 72.3 | Confident | 69.8 | Low | 138 Ų | 138 | 110 Ų | 110 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -83.9 | -31.6 | 170.4 | -174.5 | 178.4 | -177.6 | -176 | 0 | 112.9 | V529 E530 W531 R535 N537 | V529-K533 WeakPolarHBondContact O-CA 3.25Å; V529-K533 WeakPolarHBondContact O-CB 3.28Å; V529-K533 PolarHBondContact O-N 2.81Å; E530-K533 CarbonylContact O-C 3.49Å; W531-K533 VanDerWaalsContact C-N 3.33Å; K533-R535 VanDerWaalsContact C-N 3.34Å; K533-N537 VanDerWaalsContact O-CB 3.25Å; K533-N537 WeakPolarHBondContact O-CB 3.33Å; K533-N537 PolarHBondContact O-N 2.81Å |
| 534 | M | 70.3 | Confident | 70 | Confident | 144 Ų | 144 | 110.5 Ų | 110.5 | 71% | 0.709 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.8 | -29.4 | 166.9 | -77.9 | -161.7 | 77.3 | 0 | 0 | 110.9 | E530 W531 N537 E538 | E530-M534 WeakPolarHBondContact O-CA 3.36Å; E530-M534 WeakPolarHBondContact O-CB 3.28Å; E530-M534 WeakPolarHBondContact O-CG 3.41Å; E530-M534 PolarHBondContact O-N 3.24Å; W531-M534 CarbonylContact O-C 3.17Å; W531-M534 PolarHBondContact O-N 3.22Å; M534-N537 CarbonylContact O-C 3.52Å; M534-E538 WeakPolarHBondContact O-CA 3.24Å; M534-E538 WeakPolarHBondContact O-CB 3.42Å; M534-E538 PolarHBondContact O-N 2.81Å |
| 535 | R | 72.3 | Confident | 70.3 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -81.9 | -29.1 | 173.5 | -172.8 | 62 | 162.5 | -169.4 | -3.9 | 110.9 | W531 E532 K533 E538 L539 | W531-R535 HydrophobicContact CE3-CB 4.45Å; W531-R535 HydrophobicContact CH2-CG 4.34Å; W531-R535 HydrophobicContact CZ3-CG 4.46Å; W531-R535 WeakPolarHBondContact O-CA 3.14Å; W531-R535 WeakPolarHBondContact O-CB 3.15Å; W531-R535 PolarHBondContact O-N 3.15Å; E532-R535 CarbonylContact O-C 2.73Å; K533-R535 VanDerWaalsContact C-N 3.34Å; R535-E538 WeakPolarHBondContact CD-OE2 3.44Å; R535-E538 IonicContact CZ-OE2 2.68Å; R535-E538 IonicContact NE-OE2 3.98Å; R535-E538 IonicContact NH1-OE1 3.65Å; R535-E538 IonicContact NH1-OE2 2.67Å; R535-E538 PolarHBondContact NH1-OE2 3.02Å; R535-L539 HydrophobicContact CG-CD1 4.02Å; R535-L539 HydrophobicContact CG-CG 4.34Å; R535-L539 WeakPolarHBondContact O-CA 3.43Å; R535-L539 WeakPolarHBondContact O-CB 3.22Å; R535-L539 WeakPolarHBondContact O-CD1 3.12Å; R535-L539 WeakPolarHBondContact O-CG 3.17Å; R535-L539 PolarHBondContact O-N 3.26Å |
| 536 | L | 71 | Confident | 70.1 | Confident | 109 Ų | 109 | 108.1 Ų | 108.1 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.9 | -34.7 | 164.9 | -89.3 | 158.9 | 0 | 0 | 0 | 110.6 | E532 S540 | E532-L536 HydrophobicContact CG-CD1 4.38Å; E532-L536 WeakPolarHBondContact O-CA 3.46Å; E532-L536 WeakPolarHBondContact O-CB 3.25Å; E532-L536 WeakPolarHBondContact O-CD1 3.25Å; E532-L536 VanDerWaalsContact O-CG 3.28Å; E532-L536 WeakPolarHBondContact O-CG 3.34Å; E532-L536 PolarHBondContact O-N 3.16Å; L536-S540 VanDerWaalsContact O-CA 3.32Å; L536-S540 WeakPolarHBondContact O-CA 3.4Å; L536-S540 WeakPolarHBondContact O-CB 3.19Å; L536-S540 PolarHBondContact O-N 3.46Å |
| 537 | N | 72.5 | Confident | 70.1 | Confident | 97 Ų | 97 | 108 Ų | 108 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | 169.5 | -83.1 | 5.8 | 0 | 0 | 0 | 111.6 | K533 M534 S540 L541 | K533-N537 VanDerWaalsContact O-CB 3.25Å; K533-N537 WeakPolarHBondContact O-CB 3.33Å; K533-N537 PolarHBondContact O-N 2.81Å; M534-N537 CarbonylContact O-C 3.52Å; N537-S540 CarbonylContact O-C 3.57Å; N537-S540 PolarHBondContact O-N 3Å; N537-L541 WeakPolarHBondContact O-CB 3.17Å; N537-L541 VanDerWaalsContact O-CD1 3.24Å; N537-L541 WeakPolarHBondContact O-CD1 3.36Å; N537-L541 PolarHBondContact O-N 3.13Å |
| 538 | E | 71.6 | Confident | 70.2 | Confident | 82 Ų | 82 | 105.5 Ų | 105.5 | 38% | 0.383 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 175.6 | -174.3 | -166 | -170.1 | 0 | 0 | 110.4 | M534 R535 S540 L541 Q542 | M534-E538 WeakPolarHBondContact O-CA 3.24Å; M534-E538 WeakPolarHBondContact O-CB 3.42Å; M534-E538 PolarHBondContact O-N 2.81Å; R535-E538 WeakPolarHBondContact CD-OE2 3.44Å; R535-E538 IonicContact CZ-OE2 2.68Å; R535-E538 IonicContact NE-OE2 3.98Å; R535-E538 IonicContact NH1-OE1 3.65Å; R535-E538 IonicContact NH1-OE2 2.67Å; R535-E538 PolarHBondContact NH1-OE2 3.02Å; E538-S540 VanDerWaalsContact C-N 3.27Å; E538-S540 PolarHBondContact O-N 3.24Å; E538-L541 CarbonylContact O-C 3.59Å; E538-L541 PolarHBondContact O-N 2.97Å; E538-Q542 VanDerWaalsContact O-CB 3.24Å; E538-Q542 WeakPolarHBondContact O-CB 3.48Å; E538-Q542 WeakPolarHBondContact O-CG 3.43Å; E538-Q542 PolarHBondContact O-N 2.78Å; E538-Q542 PolarHBondContact OE1-NE2 3.25Å |
| 539 | L | 69.1 | Low | 70.3 | Confident | 86 Ų | 86 | 102.3 Ų | 102.3 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.2 | -23.7 | 171.2 | -70.4 | 169.1 | 0 | 0 | 0 | 111.5 | R535 R543 | R535-L539 HydrophobicContact CG-CD1 4.02Å; R535-L539 HydrophobicContact CG-CG 4.34Å; R535-L539 WeakPolarHBondContact O-CA 3.43Å; R535-L539 WeakPolarHBondContact O-CB 3.22Å; R535-L539 WeakPolarHBondContact O-CD1 3.12Å; R535-L539 WeakPolarHBondContact O-CG 3.17Å; R535-L539 PolarHBondContact O-N 3.26Å; L539-R543 WeakPolarHBondContact O-CA 3.32Å; L539-R543 WeakPolarHBondContact O-CB 3.3Å; L539-R543 PolarHBondContact O-N 2.89Å |
| 540 | S | 68.9 | Low | 70.3 | Confident | 60 Ų | 60 | 103.1 Ų | 103.1 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -82.2 | -31.5 | 171 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | L536 N537 E538 Q544 | L536-S540 VanDerWaalsContact O-CA 3.32Å; L536-S540 WeakPolarHBondContact O-CA 3.4Å; L536-S540 WeakPolarHBondContact O-CB 3.19Å; L536-S540 PolarHBondContact O-N 3.46Å; N537-S540 CarbonylContact O-C 3.57Å; N537-S540 PolarHBondContact O-N 3Å; E538-S540 VanDerWaalsContact C-N 3.27Å; E538-S540 PolarHBondContact O-N 3.24Å; S540-Q544 WeakPolarHBondContact O-CA 3.39Å; S540-Q544 WeakPolarHBondContact O-CB 3.32Å; S540-Q544 PolarHBondContact O-N 3.24Å |
| 541 | L | 70.4 | Confident | 70.2 | Confident | 119 Ų | 119 | 100.8 Ų | 100.8 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.8 | -34.5 | 168.7 | -102.5 | 85 | 0 | 0 | 0 | 111.2 | N537 E538 A545 | N537-L541 WeakPolarHBondContact O-CB 3.17Å; N537-L541 VanDerWaalsContact O-CD1 3.24Å; N537-L541 WeakPolarHBondContact O-CD1 3.36Å; N537-L541 PolarHBondContact O-N 3.13Å; E538-L541 CarbonylContact O-C 3.59Å; E538-L541 PolarHBondContact O-N 2.97Å; L541-A545 WeakPolarHBondContact O-CB 2.95Å; L541-A545 PolarHBondContact O-N 2.86Å |
| 542 | Q | 67.5 | Low | 70.3 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 172.2 | -73.5 | 175.6 | 17.1 | 0 | 0 | 110.1 | E538 Q544 A545 V546 | E538-Q542 VanDerWaalsContact O-CB 3.24Å; E538-Q542 WeakPolarHBondContact O-CB 3.48Å; E538-Q542 WeakPolarHBondContact O-CG 3.43Å; E538-Q542 PolarHBondContact O-N 2.78Å; E538-Q542 PolarHBondContact OE1-NE2 3.25Å; Q542-Q544 VanDerWaalsContact C-N 3.33Å; Q542-A545 PolarHBondContact O-N 3.01Å; Q542-V546 WeakPolarHBondContact O-CB 3.44Å; Q542-V546 WeakPolarHBondContact O-CG2 3.2Å; Q542-V546 PolarHBondContact O-N 3.02Å |
| 543 | R | 72.9 | Confident | 70 | Confident | 189 Ų | 189 | 96.2 Ų | 96.2 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -36.6 | 170.8 | -175.5 | -179.8 | -175 | -155.2 | 1.5 | 111 | L539 V546 V547 | L539-R543 WeakPolarHBondContact O-CA 3.32Å; L539-R543 WeakPolarHBondContact O-CB 3.3Å; L539-R543 PolarHBondContact O-N 2.89Å; R543-V546 CarbonylContact O-C 3.58Å; R543-V547 HydrophobicContact CG-CG2 4.3Å; R543-V547 WeakPolarHBondContact O-CB 3.4Å; R543-V547 WeakPolarHBondContact O-CG2 3.48Å; R543-V547 PolarHBondContact O-N 3.33Å |
| 544 | Q | 70.7 | Confident | 70 | Confident | 101 Ų | 101 | 96 Ų | 96 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.5 | -42.8 | 175.5 | -179.7 | 168.7 | -8.9 | 0 | 0 | 110.9 | S540 Q542 V546 V547 E548 | S540-Q544 WeakPolarHBondContact O-CA 3.39Å; S540-Q544 WeakPolarHBondContact O-CB 3.32Å; S540-Q544 PolarHBondContact O-N 3.24Å; Q542-Q544 VanDerWaalsContact C-N 3.33Å; Q544-V546 VanDerWaalsContact C-N 3.32Å; Q544-V546 PolarHBondContact O-N 3.13Å; Q544-V547 CarbonylContact O-C 3.54Å; Q544-V547 PolarHBondContact O-N 3.01Å; Q544-E548 HydrophobicContact CG-CG 4.31Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.39Å; Q544-E548 PolarHBondContact NE2-OE1 3.43Å; Q544-E548 VanDerWaalsContact O-CB 3.23Å; Q544-E548 WeakPolarHBondContact O-CB 3.05Å; Q544-E548 VanDerWaalsContact O-CG 3.25Å; Q544-E548 WeakPolarHBondContact O-CG 3.34Å; Q544-E548 PolarHBondContact O-N 2.86Å |
| 545 | A | 70.3 | Confident | 70.1 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -26.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L541 Q542 G549 | L541-A545 WeakPolarHBondContact O-CB 2.95Å; L541-A545 PolarHBondContact O-N 2.86Å; Q542-A545 PolarHBondContact O-N 3.01Å; A545-G549 VanDerWaalsContact O-CA 3.31Å; A545-G549 WeakPolarHBondContact O-CA 3.33Å; A545-G549 PolarHBondContact O-N 3.24Å |
| 546 | V | 66.6 | Low | 69.9 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -80.7 | -30.9 | 170.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | Q542 R543 Q544 V550 | Q542-V546 WeakPolarHBondContact O-CB 3.44Å; Q542-V546 WeakPolarHBondContact O-CG2 3.2Å; Q542-V546 PolarHBondContact O-N 3.02Å; R543-V546 CarbonylContact O-C 3.58Å; Q544-V546 VanDerWaalsContact C-N 3.32Å; Q544-V546 PolarHBondContact O-N 3.13Å; V546-V550 HydrophobicContact CG1-CG2 4.25Å; V546-V550 WeakPolarHBondContact O-CA 3.36Å; V546-V550 WeakPolarHBondContact O-CB 3.1Å; V546-V550 WeakPolarHBondContact O-CG2 3.47Å; V546-V550 PolarHBondContact O-N 2.87Å |
| 547 | V | 69.3 | Low | 69.9 | Low | 87 Ų | 87 | 90.1 Ų | 90.1 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.8 | -39.9 | 172.2 | 163.5 | 0 | 0 | 0 | 0 | 110.6 | R543 Q544 C551 | R543-V547 HydrophobicContact CG-CG2 4.3Å; R543-V547 WeakPolarHBondContact O-CB 3.4Å; R543-V547 WeakPolarHBondContact O-CG2 3.48Å; R543-V547 PolarHBondContact O-N 3.33Å; Q544-V547 CarbonylContact O-C 3.54Å; Q544-V547 PolarHBondContact O-N 3.01Å; V547-C551 WeakPolarHBondContact O-CA 3.19Å; V547-C551 WeakPolarHBondContact O-CB 3.35Å; V547-C551 PolarHBondContact O-N 3.07Å |
| 548 | E | 72 | Confident | 69.7 | Low | 110 Ų | 110 | 88.5 Ų | 88.5 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.7 | -37 | 169.9 | -72.8 | 170 | -165.9 | 0 | 0 | 110.6 | Q544 C551 H552 | Q544-E548 HydrophobicContact CG-CG 4.31Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.39Å; Q544-E548 PolarHBondContact NE2-OE1 3.43Å; Q544-E548 VanDerWaalsContact O-CB 3.23Å; Q544-E548 WeakPolarHBondContact O-CB 3.05Å; Q544-E548 VanDerWaalsContact O-CG 3.25Å; Q544-E548 WeakPolarHBondContact O-CG 3.34Å; Q544-E548 PolarHBondContact O-N 2.86Å; E548-C551 PolarHBondContact O-N 3.33Å; E548-H552 WeakPolarHBondContact O-CB 3.2Å; E548-H552 PolarHBondContact O-N 3.28Å |
| 549 | G | 68.3 | Low | 69.7 | Low | 37 Ų | 37 | 88 Ų | 88 | 38% | 0.381 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.4 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A545 S553 | A545-G549 VanDerWaalsContact O-CA 3.31Å; A545-G549 WeakPolarHBondContact O-CA 3.33Å; A545-G549 PolarHBondContact O-N 3.24Å; G549-S553 WeakPolarHBondContact O-CB 3.28Å; G549-S553 PolarHBondContact O-N 3.46Å |
| 550 | V | 71.6 | Confident | 69.7 | Low | 77 Ų | 77 | 88.7 Ų | 88.7 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.3 | -30.5 | 171.9 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | V546 K554 | V546-V550 HydrophobicContact CG1-CG2 4.25Å; V546-V550 WeakPolarHBondContact O-CA 3.36Å; V546-V550 WeakPolarHBondContact O-CB 3.1Å; V546-V550 WeakPolarHBondContact O-CG2 3.47Å; V546-V550 PolarHBondContact O-N 2.87Å; V550-K554 HydrophobicContact CG1-CG 4.48Å; V550-K554 WeakPolarHBondContact O-CB 3.22Å; V550-K554 WeakPolarHBondContact O-CG 3.32Å; V550-K554 PolarHBondContact O-N 2.86Å |
| 551 | C | 69.6 | Low | 69.8 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 51% | 0.507 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 170.8 | -169.3 | 0 | 0 | 0 | 0 | 110 | V547 E548 S553 K554 Q555 | V547-C551 WeakPolarHBondContact O-CA 3.19Å; V547-C551 WeakPolarHBondContact O-CB 3.35Å; V547-C551 PolarHBondContact O-N 3.07Å; E548-C551 PolarHBondContact O-N 3.33Å; C551-S553 VanDerWaalsContact C-N 3.34Å; C551-K554 CarbonylContact O-C 3.51Å; C551-K554 PolarHBondContact O-N 3.1Å; C551-Q555 WeakPolarHBondContact O-CB 3.45Å; C551-Q555 PolarHBondContact O-N 2.85Å |
| 552 | H | 70.2 | Confident | 69.9 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 48% | 0.477 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 173.7 | -170.3 | -70.2 | 0 | 0 | 0 | 111.7 | E548 Q555 Q556 | E548-H552 WeakPolarHBondContact O-CB 3.2Å; E548-H552 PolarHBondContact O-N 3.28Å; H552-Q555 PolarHBondContact O-N 2.75Å; H552-Q556 VanDerWaalsContact CE1-CD 3.45Å; H552-Q556 PolarHBondContact CE1-OE1 2.93Å; H552-Q556 VanDerWaalsContact CE1-OE1 3.24Å; H552-Q556 PolarHBondContact ND1-OE1 3.47Å; H552-Q556 WeakPolarHBondContact O-CB 3.21Å; H552-Q556 WeakPolarHBondContact O-CG 3.26Å; H552-Q556 PolarHBondContact O-N 3.44Å |
| 553 | S | 63.7 | Low | 70 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74.6 | -33.6 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 112 | G549 C551 S557 | G549-S553 WeakPolarHBondContact O-CB 3.28Å; G549-S553 PolarHBondContact O-N 3.46Å; C551-S553 VanDerWaalsContact C-N 3.34Å; S553-S557 WeakPolarHBondContact O-CA 3.49Å; S553-S557 WeakPolarHBondContact O-CB 3.32Å; S553-S557 PolarHBondContact O-N 3.09Å |
| 554 | K | 71.5 | Confident | 70 | Confident | 133 Ų | 133 | 83.1 Ų | 83.1 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.3 | -35.3 | 167.6 | -81.1 | -171.7 | 171.8 | -168.5 | 0 | 111.9 | V550 C551 S557 K558 | V550-K554 HydrophobicContact CG1-CG 4.48Å; V550-K554 WeakPolarHBondContact O-CB 3.22Å; V550-K554 WeakPolarHBondContact O-CG 3.32Å; V550-K554 PolarHBondContact O-N 2.86Å; C551-K554 CarbonylContact O-C 3.51Å; C551-K554 PolarHBondContact O-N 3.1Å; K554-S557 PolarHBondContact O-N 2.8Å; K554-K558 WeakPolarHBondContact O-CB 3.46Å; K554-K558 WeakPolarHBondContact O-CG 3.41Å; K554-K558 PolarHBondContact O-N 3.26Å |
| 555 | Q | 72.2 | Confident | 70.2 | Confident | 49 Ų | 49 | 82 Ų | 82 | 23% | 0.229 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 175.5 | -166.7 | 61.2 | 38.9 | 0 | 0 | 110 | C551 H552 S557 K558 N559 E817 W820 | C551-Q555 WeakPolarHBondContact O-CB 3.45Å; C551-Q555 PolarHBondContact O-N 2.85Å; H552-Q555 PolarHBondContact O-N 2.75Å; Q555-S557 VanDerWaalsContact C-N 3.33Å; Q555-S557 PolarHBondContact O-N 3.37Å; Q555-K558 PolarHBondContact O-N 3.09Å; Q555-N559 WeakPolarHBondContact O-CB 3.46Å; Q555-N559 PolarHBondContact O-N 3.01Å; Q555-E817 PolarHBondContact NE2-OE2 2.91Å; Q555-W820 VanDerWaalsContact CD-NE1 3.29Å; Q555-W820 VanDerWaalsContact NE2-NE1 3.18Å |
| 556 | Q | 69.1 | Low | 70.3 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -38 | 170.5 | -77.7 | -175.3 | -70.5 | 0 | 0 | 111.8 | H552 N559 L560 | H552-Q556 VanDerWaalsContact CE1-CD 3.45Å; H552-Q556 PolarHBondContact CE1-OE1 2.93Å; H552-Q556 VanDerWaalsContact CE1-OE1 3.24Å; H552-Q556 PolarHBondContact ND1-OE1 3.47Å; H552-Q556 WeakPolarHBondContact O-CB 3.21Å; H552-Q556 WeakPolarHBondContact O-CG 3.26Å; H552-Q556 PolarHBondContact O-N 3.44Å; Q556-N559 PolarHBondContact O-N 3.1Å; Q556-L560 WeakPolarHBondContact O-CA 3.46Å; Q556-L560 WeakPolarHBondContact O-CB 3.38Å; Q556-L560 WeakPolarHBondContact O-CD1 3.47Å; Q556-L560 WeakPolarHBondContact O-CG 3.36Å; Q556-L560 PolarHBondContact O-N 2.91Å |
| 557 | S | 69.5 | Low | 70.5 | Confident | 67 Ų | 67 | 83 Ų | 83 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 177.1 | -170 | 0 | 0 | 0 | 0 | 111.3 | S553 K554 Q555 L560 T561 | S553-S557 WeakPolarHBondContact O-CA 3.49Å; S553-S557 WeakPolarHBondContact O-CB 3.32Å; S553-S557 PolarHBondContact O-N 3.09Å; K554-S557 PolarHBondContact O-N 2.8Å; Q555-S557 VanDerWaalsContact C-N 3.33Å; Q555-S557 PolarHBondContact O-N 3.37Å; S557-L560 CarbonylContact O-C 3.58Å; S557-L560 PolarHBondContact O-N 2.91Å; S557-T561 WeakPolarHBondContact O-CB 3.47Å; S557-T561 PolarHBondContact O-N 3.01Å; S557-T561 PolarHBondContact O-OG1 3.49Å |
| 558 | K | 69.9 | Low | 70.6 | Confident | 63 Ų | 63 | 82 Ų | 82 | 27% | 0.274 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 174.5 | -76 | 178.4 | -179.2 | 171.8 | 0 | 111.7 | K554 Q555 L560 T561 F562 E817 P818 | K554-K558 WeakPolarHBondContact O-CB 3.46Å; K554-K558 WeakPolarHBondContact O-CG 3.41Å; K554-K558 PolarHBondContact O-N 3.26Å; Q555-K558 PolarHBondContact O-N 3.09Å; K558-L560 VanDerWaalsContact C-N 3.3Å; K558-L560 PolarHBondContact O-N 2.82Å; K558-T561 CarbonylContact O-C 3.57Å; K558-T561 WeakPolarHBondContact O-CA 3.37Å; K558-T561 WeakPolarHBondContact O-CB 3.47Å; K558-T561 PolarHBondContact O-N 2.87Å; K558-F562 PolarHBondContact O-N 2.97Å; K558-E817 VanDerWaalsContact CB-CD 3.43Å; K558-E817 HydrophobicContact CB-CG 4.14Å; K558-E817 VanDerWaalsContact CB-OE2 3.24Å; K558-E817 WeakPolarHBondContact CB-OE2 3.43Å; K558-E817 HydrophobicContact CD-CB 4.25Å; K558-E817 HydrophobicContact CD-CG 4.18Å; K558-E817 WeakPolarHBondContact CD-OE2 3.35Å; K558-P818 PolarHBondContact NZ-O 2.8Å |
| 559 | N | 69.8 | Low | 70.8 | Confident | 72 Ų | 72 | 81.5 Ų | 81.5 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.1 | -31.5 | 178.9 | -157.4 | -95.6 | 0 | 0 | 0 | 111.6 | Q555 Q556 Q563 E817 | Q555-N559 WeakPolarHBondContact O-CB 3.46Å; Q555-N559 PolarHBondContact O-N 3.01Å; Q556-N559 PolarHBondContact O-N 3.1Å; N559-Q563 VanDerWaalsContact O-CB 3.25Å; N559-Q563 WeakPolarHBondContact O-CB 3.21Å; N559-Q563 WeakPolarHBondContact O-CG 3.28Å; N559-Q563 PolarHBondContact O-N 3.01Å; N559-Q563 PolarHBondContact OD1-NE2 3.27Å; N559-E817 PolarHBondContact N-OE1 2.83Å |
| 560 | L | 68.9 | Low | 71.1 | Confident | 100 Ų | 100 | 86 Ų | 86 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 167.2 | -77.7 | 164 | 0 | 0 | 0 | 111.7 | Q556 S557 K558 Q563 V564 | Q556-L560 WeakPolarHBondContact O-CA 3.46Å; Q556-L560 WeakPolarHBondContact O-CB 3.38Å; Q556-L560 WeakPolarHBondContact O-CD1 3.47Å; Q556-L560 WeakPolarHBondContact O-CG 3.36Å; Q556-L560 PolarHBondContact O-N 2.91Å; S557-L560 CarbonylContact O-C 3.58Å; S557-L560 PolarHBondContact O-N 2.91Å; K558-L560 VanDerWaalsContact C-N 3.3Å; K558-L560 PolarHBondContact O-N 2.82Å; L560-Q563 PolarHBondContact O-N 2.87Å; L560-V564 WeakPolarHBondContact O-CB 3.45Å; L560-V564 WeakPolarHBondContact O-CG2 3.39Å; L560-V564 PolarHBondContact O-N 2.89Å |
| 561 | T | 71.6 | Confident | 71.2 | Confident | 80 Ų | 80 | 83.9 Ų | 83.9 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 173.3 | -62.7 | 0 | 0 | 0 | 0 | 111 | S557 K558 V564 Q565 | S557-T561 WeakPolarHBondContact O-CB 3.47Å; S557-T561 PolarHBondContact O-N 3.01Å; S557-T561 PolarHBondContact O-OG1 3.49Å; K558-T561 CarbonylContact O-C 3.57Å; K558-T561 WeakPolarHBondContact O-CA 3.37Å; K558-T561 WeakPolarHBondContact O-CB 3.47Å; K558-T561 PolarHBondContact O-N 2.87Å; T561-V564 CarbonylContact O-C 3.57Å; T561-V564 PolarHBondContact O-N 3.06Å; T561-Q565 VanDerWaalsContact O-CB 3.28Å; T561-Q565 WeakPolarHBondContact O-CB 3.35Å; T561-Q565 PolarHBondContact O-N 3.3Å |
| 562 | F | 72.1 | Confident | 71.5 | Confident | 79 Ų | 79 | 83 Ų | 83 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 173.3 | -104.4 | -69.3 | 0 | 0 | 0 | 111.9 | K558 Q565 A566 E817 | K558-F562 PolarHBondContact O-N 2.97Å; F562-Q565 PolarHBondContact O-N 3.13Å; F562-A566 WeakPolarHBondContact O-CB 3.48Å; F562-A566 PolarHBondContact O-N 3.43Å; F562-E817 HydrophobicContact CD2-CG 3.65Å; F562-E817 HydrophobicContact CE2-CG 3.65Å |
| 563 | Q | 70.3 | Confident | 71.7 | Confident | 88 Ų | 88 | 83.5 Ų | 83.5 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 171.2 | -78.7 | 177.3 | 58.7 | 0 | 0 | 111.1 | N559 L560 Q565 A566 F567 | N559-Q563 VanDerWaalsContact O-CB 3.25Å; N559-Q563 WeakPolarHBondContact O-CB 3.21Å; N559-Q563 WeakPolarHBondContact O-CG 3.28Å; N559-Q563 PolarHBondContact O-N 3.01Å; N559-Q563 PolarHBondContact OD1-NE2 3.27Å; L560-Q563 PolarHBondContact O-N 2.87Å; Q563-Q565 VanDerWaalsContact C-N 3.35Å; Q563-A566 PolarHBondContact O-N 3.39Å; Q563-F567 HydrophobicContact CB-CD2 4.17Å; Q563-F567 HydrophobicContact CB-CE2 4.08Å; Q563-F567 WeakPolarHBondContact O-CA 3.17Å; Q563-F567 WeakPolarHBondContact O-CB 3.02Å; Q563-F567 WeakPolarHBondContact O-CD2 3.16Å; Q563-F567 WeakPolarHBondContact O-CG 3.49Å; Q563-F567 PolarHBondContact O-N 3.3Å |
| 564 | V | 73.1 | Confident | 72.2 | Confident | 97 Ų | 97 | 85 Ų | 85 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.3 | -38.5 | 175.9 | 164.5 | 0 | 0 | 0 | 0 | 111.2 | L560 T561 F567 S568 | L560-V564 WeakPolarHBondContact O-CB 3.45Å; L560-V564 WeakPolarHBondContact O-CG2 3.39Å; L560-V564 PolarHBondContact O-N 2.89Å; T561-V564 CarbonylContact O-C 3.57Å; T561-V564 PolarHBondContact O-N 3.06Å; V564-F567 CarbonylContact O-C 3.41Å; V564-F567 PolarHBondContact O-N 2.78Å; V564-S568 VanDerWaalsContact O-CB 3.29Å; V564-S568 WeakPolarHBondContact O-CB 3.38Å; V564-S568 PolarHBondContact O-N 2.73Å; V564-S568 PolarHBondContact O-OG 2.84Å |
| 565 | Q | 75.3 | Confident | 72.3 | Confident | 78 Ų | 78 | 79.8 Ų | 79.8 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.6 | -50.1 | 175.9 | -174.8 | -179.4 | -30 | 0 | 0 | 110.6 | T561 F562 Q563 F567 S568 E569 | T561-Q565 VanDerWaalsContact O-CB 3.28Å; T561-Q565 WeakPolarHBondContact O-CB 3.35Å; T561-Q565 PolarHBondContact O-N 3.3Å; F562-Q565 PolarHBondContact O-N 3.13Å; Q563-Q565 VanDerWaalsContact C-N 3.35Å; Q565-F567 VanDerWaalsContact C-N 3.25Å; Q565-F567 PolarHBondContact O-N 3.37Å; Q565-S568 WeakPolarHBondContact CA-OG 3.28Å; Q565-S568 CarbonylContact O-C 3.55Å; Q565-S568 WeakPolarHBondContact O-CA 3.37Å; Q565-S568 PolarHBondContact O-N 2.94Å; Q565-S568 PolarHBondContact O-OG 3.47Å; Q565-E569 WeakPolarHBondContact CG-OE1 3.24Å; Q565-E569 PolarHBondContact NE2-OE1 3.07Å; Q565-E569 WeakPolarHBondContact O-CG 3.43Å; Q565-E569 PolarHBondContact O-N 2.75Å |
| 566 | A | 71.7 | Confident | 72.5 | Confident | 41 Ų | 41 | 81.2 Ų | 81.2 | 34% | 0.339 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -25.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F562 Q563 K570 | F562-A566 WeakPolarHBondContact O-CB 3.48Å; F562-A566 PolarHBondContact O-N 3.43Å; Q563-A566 PolarHBondContact O-N 3.39Å; A566-K570 VanDerWaalsContact O-CB 3.23Å; A566-K570 WeakPolarHBondContact O-CB 3.32Å; A566-K570 VanDerWaalsContact O-CG 3.27Å; A566-K570 WeakPolarHBondContact O-CG 3.22Å; A566-K570 PolarHBondContact O-N 3.08Å |
| 567 | F | 71.2 | Confident | 72.8 | Confident | 128 Ų | 128 | 79.2 Ų | 79.2 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -79.3 | -26.8 | 167.7 | -72.8 | -49.8 | 0 | 0 | 0 | 112.1 | Q563 V564 Q565 A571 | Q563-F567 HydrophobicContact CB-CD2 4.17Å; Q563-F567 HydrophobicContact CB-CE2 4.08Å; Q563-F567 WeakPolarHBondContact O-CA 3.17Å; Q563-F567 WeakPolarHBondContact O-CB 3.02Å; Q563-F567 WeakPolarHBondContact O-CD2 3.16Å; Q563-F567 WeakPolarHBondContact O-CG 3.49Å; Q563-F567 PolarHBondContact O-N 3.3Å; V564-F567 CarbonylContact O-C 3.41Å; V564-F567 PolarHBondContact O-N 2.78Å; Q565-F567 VanDerWaalsContact C-N 3.25Å; Q565-F567 PolarHBondContact O-N 3.37Å; F567-A571 WeakPolarHBondContact O-CA 3.22Å; F567-A571 WeakPolarHBondContact O-CB 3.46Å; F567-A571 PolarHBondContact O-N 3.48Å |
| 568 | S | 71.2 | Confident | 73 | Confident | 64 Ų | 64 | 78 Ų | 78 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -78.2 | -32.3 | 172.3 | 75.2 | 0 | 0 | 0 | 0 | 112.4 | V564 Q565 A571 A572 | V564-S568 VanDerWaalsContact O-CB 3.29Å; V564-S568 WeakPolarHBondContact O-CB 3.38Å; V564-S568 PolarHBondContact O-N 2.73Å; V564-S568 PolarHBondContact O-OG 2.84Å; Q565-S568 WeakPolarHBondContact CA-OG 3.28Å; Q565-S568 CarbonylContact O-C 3.55Å; Q565-S568 WeakPolarHBondContact O-CA 3.37Å; Q565-S568 PolarHBondContact O-N 2.94Å; Q565-S568 PolarHBondContact O-OG 3.47Å; S568-A571 CarbonylContact O-C 3.52Å; S568-A571 PolarHBondContact O-N 3.45Å; S568-A572 VanDerWaalsContact O-CB 3.24Å; S568-A572 WeakPolarHBondContact O-CB 3.06Å; S568-A572 PolarHBondContact O-N 2.75Å |
| 569 | E | 75.4 | Confident | 73.3 | Confident | 101 Ų | 101 | 76.8 Ų | 76.8 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.5 | -45.4 | 170.7 | -73.2 | 168.1 | -163.2 | 0 | 0 | 109.6 | Q565 A571 A572 D573 | Q565-E569 WeakPolarHBondContact CG-OE1 3.24Å; Q565-E569 PolarHBondContact NE2-OE1 3.07Å; Q565-E569 WeakPolarHBondContact O-CG 3.43Å; Q565-E569 PolarHBondContact O-N 2.75Å; E569-A571 VanDerWaalsContact C-N 3.31Å; E569-A571 PolarHBondContact O-N 2.86Å; E569-A572 CarbonylContact O-C 3.49Å; E569-A572 WeakPolarHBondContact O-CB 3.39Å; E569-A572 PolarHBondContact O-N 2.71Å; E569-A572 VanDerWaalsContact O-N 3.12Å; E569-D573 WeakPolarHBondContact O-CB 3.43Å; E569-D573 PolarHBondContact O-N 2.8Å |
| 570 | K | 75 | Confident | 73.7 | Confident | 132 Ų | 132 | 80 Ų | 80 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.1 | -32.8 | 170.3 | -79.1 | 175.8 | 178.5 | 170.1 | 0 | 113.1 | A566 L574 | A566-K570 VanDerWaalsContact O-CB 3.23Å; A566-K570 WeakPolarHBondContact O-CB 3.32Å; A566-K570 VanDerWaalsContact O-CG 3.27Å; A566-K570 WeakPolarHBondContact O-CG 3.22Å; A566-K570 PolarHBondContact O-N 3.08Å; K570-L574 WeakPolarHBondContact O-CB 3.46Å; K570-L574 WeakPolarHBondContact O-CG 3.39Å; K570-L574 PolarHBondContact O-N 3.48Å |
| 571 | A | 73.2 | Confident | 74.1 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F567 S568 E569 N575 | F567-A571 WeakPolarHBondContact O-CA 3.22Å; F567-A571 WeakPolarHBondContact O-CB 3.46Å; F567-A571 PolarHBondContact O-N 3.48Å; S568-A571 CarbonylContact O-C 3.52Å; S568-A571 PolarHBondContact O-N 3.45Å; E569-A571 VanDerWaalsContact C-N 3.31Å; E569-A571 PolarHBondContact O-N 2.86Å; A571-N575 WeakPolarHBondContact O-CA 3.42Å; A571-N575 WeakPolarHBondContact O-CB 3.38Å; A571-N575 PolarHBondContact O-N 3.29Å; A571-N575 PolarHBondContact O-ND2 2.71Å; A571-N575 PolarHBondContact O-OD1 3.03Å |
| 572 | A | 75.9 | Confident | 74.3 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S568 E569 N575 S576 | S568-A572 VanDerWaalsContact O-CB 3.24Å; S568-A572 WeakPolarHBondContact O-CB 3.06Å; S568-A572 PolarHBondContact O-N 2.75Å; E569-A572 CarbonylContact O-C 3.49Å; E569-A572 WeakPolarHBondContact O-CB 3.39Å; E569-A572 PolarHBondContact O-N 2.71Å; E569-A572 VanDerWaalsContact O-N 3.12Å; A572-N575 PolarHBondContact O-N 3.13Å; A572-S576 WeakPolarHBondContact O-CB 3.22Å; A572-S576 PolarHBondContact O-N 2.91Å |
| 573 | D | 75 | Confident | 74.6 | Confident | 115 Ų | 115 | 81.4 Ų | 81.4 | 62% | 0.615 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.8 | -44 | 173.3 | -89.7 | -11 | 0 | 0 | 0 | 111.9 | E569 N575 S576 S577 | E569-D573 WeakPolarHBondContact O-CB 3.43Å; E569-D573 PolarHBondContact O-N 2.8Å; D573-N575 VanDerWaalsContact C-N 3.29Å; D573-S576 PolarHBondContact O-N 2.83Å; D573-S577 VanDerWaalsContact O-CB 3.23Å; D573-S577 WeakPolarHBondContact O-CB 3.47Å; D573-S577 PolarHBondContact O-N 3.14Å; D573-S577 PolarHBondContact O-OG 2.91Å |
| 574 | L | 74.2 | Confident | 74.7 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 171.1 | -90.3 | 157.8 | 0 | 0 | 0 | 109.9 | K570 S577 I578 | K570-L574 WeakPolarHBondContact O-CB 3.46Å; K570-L574 WeakPolarHBondContact O-CG 3.39Å; K570-L574 PolarHBondContact O-N 3.48Å; L574-S577 CarbonylContact O-C 3.56Å; L574-S577 WeakPolarHBondContact O-CA 3.21Å; L574-S577 WeakPolarHBondContact O-CB 3.45Å; L574-S577 PolarHBondContact O-N 3.43Å; L574-I578 HydrophobicContact CB-CD1 4.27Å; L574-I578 HydrophobicContact CD2-CD1 4.34Å; L574-I578 WeakPolarHBondContact O-CA 3.48Å; L574-I578 WeakPolarHBondContact O-CB 3.42Å; L574-I578 WeakPolarHBondContact O-CD1 3.43Å; L574-I578 WeakPolarHBondContact O-CG1 3.48Å; L574-I578 PolarHBondContact O-N 3.02Å |
| 575 | N | 74.7 | Confident | 74.8 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 13% | 0.128 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 176.5 | -79.7 | -15.6 | 0 | 0 | 0 | 111.3 | A571 A572 D573 S577 I578 A579 S1043 E1044 P1045 | A571-N575 WeakPolarHBondContact O-CA 3.42Å; A571-N575 WeakPolarHBondContact O-CB 3.38Å; A571-N575 PolarHBondContact O-N 3.29Å; A571-N575 PolarHBondContact O-ND2 2.71Å; A571-N575 PolarHBondContact O-OD1 3.03Å; A572-N575 PolarHBondContact O-N 3.13Å; D573-N575 VanDerWaalsContact C-N 3.29Å; N575-S577 PolarHBondContact O-N 3.13Å; N575-I578 CarbonylContact O-C 3.6Å; N575-I578 PolarHBondContact O-N 3.41Å; N575-A579 VanDerWaalsContact O-CB 3.28Å; N575-A579 WeakPolarHBondContact O-CB 3.43Å; N575-A579 PolarHBondContact O-N 2.88Å; N575-S1043 PolarHBondContact ND2-O 2.76Å; N575-E1044 WeakPolarHBondContact OD1-CA 3.2Å; N575-E1044 WeakPolarHBondContact OD1-CB 3.18Å; N575-E1044 WeakPolarHBondContact OD1-CG 3.41Å; N575-P1045 HydrophobicContact CB-CG 3.86Å; N575-P1045 WeakPolarHBondContact O-CG 3.43Å; N575-P1045 WeakPolarHBondContact OD1-CD 3.49Å |
| 576 | S | 76.4 | Confident | 74.7 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | A572 D573 K580 | A572-S576 WeakPolarHBondContact O-CB 3.22Å; A572-S576 PolarHBondContact O-N 2.91Å; D573-S576 PolarHBondContact O-N 2.83Å; S576-K580 VanDerWaalsContact O-CB 3.28Å; S576-K580 WeakPolarHBondContact O-CB 3.15Å; S576-K580 PolarHBondContact O-N 2.89Å; S576-K580 VanDerWaalsContact O-N 3.08Å |
| 577 | S | 74 | Confident | 74.7 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 47% | 0.469 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.8 | -31.4 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | D573 L574 N575 K580 L581 | D573-S577 VanDerWaalsContact O-CB 3.23Å; D573-S577 WeakPolarHBondContact O-CB 3.47Å; D573-S577 PolarHBondContact O-N 3.14Å; D573-S577 PolarHBondContact O-OG 2.91Å; L574-S577 CarbonylContact O-C 3.56Å; L574-S577 WeakPolarHBondContact O-CA 3.21Å; L574-S577 WeakPolarHBondContact O-CB 3.45Å; L574-S577 PolarHBondContact O-N 3.43Å; N575-S577 PolarHBondContact O-N 3.13Å; S577-K580 PolarHBondContact O-N 2.8Å; S577-L581 WeakPolarHBondContact O-CB 3.38Å; S577-L581 PolarHBondContact O-N 3.33Å |
| 578 | I | 75 | Confident | 74.8 | Confident | 43 Ų | 43 | 83.9 Ų | 83.9 | 22% | 0.221 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -82.7 | -35.8 | 179.2 | -77.7 | 165.3 | 0 | 0 | 0 | 110 | L574 N575 K580 L581 R582 | L574-I578 HydrophobicContact CB-CD1 4.27Å; L574-I578 HydrophobicContact CD2-CD1 4.34Å; L574-I578 WeakPolarHBondContact O-CA 3.48Å; L574-I578 WeakPolarHBondContact O-CB 3.42Å; L574-I578 WeakPolarHBondContact O-CD1 3.43Å; L574-I578 WeakPolarHBondContact O-CG1 3.48Å; L574-I578 PolarHBondContact O-N 3.02Å; N575-I578 CarbonylContact O-C 3.6Å; N575-I578 PolarHBondContact O-N 3.41Å; I578-K580 VanDerWaalsContact C-N 3.27Å; I578-L581 PolarHBondContact O-N 2.84Å; I578-R582 HydrophobicContact CG2-CG 4.21Å; I578-R582 WeakPolarHBondContact O-CA 3.46Å; I578-R582 WeakPolarHBondContact O-CB 3.15Å; I578-R582 WeakPolarHBondContact O-CD 3.5Å; I578-R582 WeakPolarHBondContact O-CG 3.43Å; I578-R582 PolarHBondContact O-N 2.88Å |
| 579 | A | 75 | Confident | 75 | Confident | 37 Ų | 37 | 84.4 Ų | 84.4 | 31% | 0.306 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N575 R582 Q583 P1045 | N575-A579 VanDerWaalsContact O-CB 3.28Å; N575-A579 WeakPolarHBondContact O-CB 3.43Å; N575-A579 PolarHBondContact O-N 2.88Å; A579-R582 CarbonylContact O-C 3.56Å; A579-R582 PolarHBondContact O-N 2.92Å; A579-Q583 WeakPolarHBondContact O-CB 3.36Å; A579-Q583 PolarHBondContact O-N 2.82Å; A579-P1045 HydrophobicContact CB-CB 3.85Å; A579-P1045 HydrophobicContact CB-CG 3.53Å |
| 580 | K | 79 | Confident | 74.8 | Confident | 139 Ų | 139 | 83.1 Ų | 83.1 | 60% | 0.604 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.6 | -41.6 | 179.7 | -157.2 | 166.5 | -167.7 | 168.7 | 0 | 112.1 | S576 S577 I578 R582 Q583 D584 | S576-K580 VanDerWaalsContact O-CB 3.28Å; S576-K580 WeakPolarHBondContact O-CB 3.15Å; S576-K580 PolarHBondContact O-N 2.89Å; S576-K580 VanDerWaalsContact O-N 3.08Å; S577-K580 PolarHBondContact O-N 2.8Å; I578-K580 VanDerWaalsContact C-N 3.27Å; K580-R582 VanDerWaalsContact C-N 3.34Å; K580-R582 PolarHBondContact O-N 2.8Å; K580-Q583 WeakPolarHBondContact O-CB 3.29Å; K580-Q583 PolarHBondContact O-N 2.84Å; K580-D584 VanDerWaalsContact O-CB 3.3Å; K580-D584 WeakPolarHBondContact O-CB 3.5Å; K580-D584 PolarHBondContact O-N 2.78Å |
| 581 | L | 76.5 | Confident | 74.6 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 59% | 0.586 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.1 | -33.6 | 172.9 | -120.8 | 79.6 | 0 | 0 | 0 | 112.2 | S577 I578 V585 | S577-L581 WeakPolarHBondContact O-CB 3.38Å; S577-L581 PolarHBondContact O-N 3.33Å; I578-L581 PolarHBondContact O-N 2.84Å; L581-V585 WeakPolarHBondContact O-CA 3.25Å; L581-V585 WeakPolarHBondContact O-CB 3.2Å; L581-V585 WeakPolarHBondContact O-CG2 3.39Å; L581-V585 PolarHBondContact O-N 2.92Å |
| 582 | R | 76.6 | Confident | 74.4 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -78.1 | -28.3 | 176.2 | -73.7 | 166.9 | 162.3 | 168.1 | -10.1 | 111.4 | I578 A579 K580 Y586 P1045 G1046 D1047 I1076 | I578-R582 HydrophobicContact CG2-CG 4.21Å; I578-R582 WeakPolarHBondContact O-CA 3.46Å; I578-R582 WeakPolarHBondContact O-CB 3.15Å; I578-R582 WeakPolarHBondContact O-CD 3.5Å; I578-R582 WeakPolarHBondContact O-CG 3.43Å; I578-R582 PolarHBondContact O-N 2.88Å; A579-R582 CarbonylContact O-C 3.56Å; A579-R582 PolarHBondContact O-N 2.92Å; K580-R582 VanDerWaalsContact C-N 3.34Å; K580-R582 PolarHBondContact O-N 2.8Å; R582-Y586 WeakPolarHBondContact O-CA 3.12Å; R582-Y586 WeakPolarHBondContact O-CB 3.34Å; R582-Y586 PolarHBondContact O-N 3.17Å; R582-P1045 WeakPolarHBondContact CD-O 3.45Å; R582-P1045 PolarHBondContact NH1-O 3.2Å; R582-G1046 VanDerWaalsContact CZ-C 3.46Å; R582-G1046 VanDerWaalsContact NH1-C 3.27Å; R582-D1047 IonicContact CZ-OD1 3.68Å; R582-D1047 IonicContact NH1-OD1 2.76Å; R582-D1047 PolarHBondContact NH1-OD1 3.4Å; R582-D1047 IonicContact NH2-OD1 2.98Å; R582-D1047 PolarHBondContact NH2-OD1 2.97Å; R582-D1047 VanDerWaalsContact NH2-OD1 3.13Å; R582-I1076 VanDerWaalsContact NH2-CD1 3.27Å |
| 583 | Q | 76.9 | Confident | 74.1 | Confident | 105 Ų | 105 | 81.6 Ų | 81.6 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.1 | -53.9 | 166.3 | 179.7 | 81 | 34.9 | 0 | 0 | 109.6 | A579 K580 V585 Y586 E587 | A579-Q583 WeakPolarHBondContact O-CB 3.36Å; A579-Q583 PolarHBondContact O-N 2.82Å; K580-Q583 WeakPolarHBondContact O-CB 3.29Å; K580-Q583 PolarHBondContact O-N 2.84Å; Q583-V585 VanDerWaalsContact C-N 3.29Å; Q583-V585 PolarHBondContact O-N 2.78Å; Q583-Y586 CarbonylContact O-C 3.51Å; Q583-Y586 PolarHBondContact O-N 2.85Å; Q583-E587 PolarHBondContact NE2-OE1 3.25Å; Q583-E587 WeakPolarHBondContact O-CB 3.01Å; Q583-E587 WeakPolarHBondContact O-CG 3.27Å; Q583-E587 PolarHBondContact O-N 3.24Å |
| 584 | D | 73.1 | Confident | 73.8 | Confident | 85 Ų | 85 | 82.9 Ų | 82.9 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 176.3 | -67.1 | -16.3 | 0 | 0 | 0 | 110.7 | K580 L588 | K580-D584 VanDerWaalsContact O-CB 3.3Å; K580-D584 WeakPolarHBondContact O-CB 3.5Å; K580-D584 PolarHBondContact O-N 2.78Å; D584-L588 WeakPolarHBondContact O-CB 3.36Å; D584-L588 PolarHBondContact O-N 2.87Å |
| 585 | V | 76 | Confident | 73.6 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -74.8 | -28.1 | 175 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | L581 Q583 L588 T589 | L581-V585 WeakPolarHBondContact O-CA 3.25Å; L581-V585 WeakPolarHBondContact O-CB 3.2Å; L581-V585 WeakPolarHBondContact O-CG2 3.39Å; L581-V585 PolarHBondContact O-N 2.92Å; Q583-V585 VanDerWaalsContact C-N 3.29Å; Q583-V585 PolarHBondContact O-N 2.78Å; V585-L588 CarbonylContact O-C 3.51Å; V585-T589 WeakPolarHBondContact O-CA 3.11Å; V585-T589 WeakPolarHBondContact O-CB 3.1Å; V585-T589 PolarHBondContact O-N 3.07Å; V585-T589 PolarHBondContact O-OG1 3.3Å |
| 586 | Y | 71.8 | Confident | 73.3 | Confident | 128 Ų | 128 | 86.9 Ų | 86.9 | 50% | 0.502 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.2 | -41.4 | 173.4 | 176.7 | -96.8 | 0 | 0 | 0 | 110.9 | R582 Q583 T589 N590 | R582-Y586 WeakPolarHBondContact O-CA 3.12Å; R582-Y586 WeakPolarHBondContact O-CB 3.34Å; R582-Y586 PolarHBondContact O-N 3.17Å; Q583-Y586 CarbonylContact O-C 3.51Å; Q583-Y586 PolarHBondContact O-N 2.85Å; Y586-T589 CarbonylContact O-C 3.58Å; Y586-T589 PolarHBondContact O-N 3.02Å; Y586-N590 WeakPolarHBondContact CE1-ND2 3.23Å; Y586-N590 WeakPolarHBondContact O-CB 3.27Å; Y586-N590 PolarHBondContact O-N 3.06Å; Y586-N590 PolarHBondContact OH-ND2 3.15Å |
| 587 | E | 73.1 | Confident | 73 | Confident | 111 Ų | 111 | 86.2 Ų | 86.2 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 170.8 | -71.2 | 178.3 | -153.6 | 0 | 0 | 110.8 | Q583 S591 | Q583-E587 PolarHBondContact NE2-OE1 3.25Å; Q583-E587 WeakPolarHBondContact O-CB 3.01Å; Q583-E587 WeakPolarHBondContact O-CG 3.27Å; Q583-E587 PolarHBondContact O-N 3.24Å; E587-S591 WeakPolarHBondContact O-CB 3.39Å; E587-S591 PolarHBondContact O-N 2.96Å |
| 588 | L | 73.1 | Confident | 73 | Confident | 87 Ų | 87 | 88.8 Ų | 88.8 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -29.3 | 173.5 | -165.4 | 72.7 | 0 | 0 | 0 | 112.5 | D584 V585 S591 F592 | D584-L588 WeakPolarHBondContact O-CB 3.36Å; D584-L588 PolarHBondContact O-N 2.87Å; V585-L588 CarbonylContact O-C 3.51Å; L588-S591 CarbonylContact O-C 3.41Å; L588-S591 PolarHBondContact O-N 2.9Å; L588-S591 PolarHBondContact O-OG 3.43Å; L588-F592 HydrophobicContact CD1-CE2 4.42Å; L588-F592 HydrophobicContact CD2-CD2 4.5Å; L588-F592 HydrophobicContact CD2-CE2 3.71Å; L588-F592 HydrophobicContact CD2-CZ 4.28Å; L588-F592 HydrophobicContact CG-CD2 3.99Å; L588-F592 HydrophobicContact CG-CE2 3.6Å; L588-F592 HydrophobicContact CG-CZ 4.2Å; L588-F592 WeakPolarHBondContact O-CB 3.34Å; L588-F592 WeakPolarHBondContact O-CD2 3.38Å; L588-F592 VanDerWaalsContact O-CG 3.3Å; L588-F592 WeakPolarHBondContact O-CG 3.24Å; L588-F592 PolarHBondContact O-N 3.11Å |
| 589 | T | 74.6 | Confident | 72.8 | Confident | 75 Ų | 75 | 93.7 Ų | 93.7 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -82.5 | -28.2 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | V585 Y586 F592 G593 | V585-T589 WeakPolarHBondContact O-CA 3.11Å; V585-T589 WeakPolarHBondContact O-CB 3.1Å; V585-T589 PolarHBondContact O-N 3.07Å; V585-T589 PolarHBondContact O-OG1 3.3Å; Y586-T589 CarbonylContact O-C 3.58Å; Y586-T589 PolarHBondContact O-N 3.02Å; T589-F592 CarbonylContact O-C 3.51Å; T589-G593 WeakPolarHBondContact O-CA 3.32Å; T589-G593 PolarHBondContact O-N 3.28Å |
| 590 | N | 71.2 | Confident | 72.8 | Confident | 74 Ų | 74 | 94.6 Ų | 94.6 | 40% | 0.396 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.3 | -36.1 | 164.5 | -83.9 | -14.9 | 0 | 0 | 0 | 110.7 | Y586 G593 Q594 | Y586-N590 WeakPolarHBondContact CE1-ND2 3.23Å; Y586-N590 WeakPolarHBondContact O-CB 3.27Å; Y586-N590 PolarHBondContact O-N 3.06Å; Y586-N590 PolarHBondContact OH-ND2 3.15Å; N590-G593 CarbonylContact O-C 3.56Å; N590-G593 PolarHBondContact O-N 3.47Å; N590-Q594 WeakPolarHBondContact O-CB 3.29Å; N590-Q594 WeakPolarHBondContact O-CG 3.35Å; N590-Q594 PolarHBondContact O-N 2.98Å |
| 591 | S | 72.2 | Confident | 72.5 | Confident | 35 Ų | 35 | 90.8 Ų | 90.8 | 25% | 0.245 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 170.8 | 87.9 | 0 | 0 | 0 | 0 | 111.9 | E587 L588 G593 Q594 M595 | E587-S591 WeakPolarHBondContact O-CB 3.39Å; E587-S591 PolarHBondContact O-N 2.96Å; L588-S591 CarbonylContact O-C 3.41Å; L588-S591 PolarHBondContact O-N 2.9Å; L588-S591 PolarHBondContact O-OG 3.43Å; S591-G593 VanDerWaalsContact C-N 3.31Å; S591-Q594 PolarHBondContact O-N 3.18Å; S591-M595 VanDerWaalsContact O-CB 3.24Å; S591-M595 WeakPolarHBondContact O-CB 3.32Å; S591-M595 VanDerWaalsContact O-CE 3.3Å; S591-M595 WeakPolarHBondContact O-CE 3.01Å; S591-M595 VanDerWaalsContact O-CG 3.29Å; S591-M595 WeakPolarHBondContact O-CG 3.2Å; S591-M595 PolarHBondContact O-N 3.4Å; S591-M595 WeakPolarHBondContact OG-CE 3.4Å |
| 592 | F | 68.6 | Low | 72.5 | Confident | 114 Ų | 114 | 89.7 Ų | 89.7 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.2 | -25.3 | 167.4 | -72.4 | -50.5 | 0 | 0 | 0 | 112.4 | L588 T589 M595 K596 | L588-F592 HydrophobicContact CD1-CE2 4.42Å; L588-F592 HydrophobicContact CD2-CD2 4.5Å; L588-F592 HydrophobicContact CD2-CE2 3.71Å; L588-F592 HydrophobicContact CD2-CZ 4.28Å; L588-F592 HydrophobicContact CG-CD2 3.99Å; L588-F592 HydrophobicContact CG-CE2 3.6Å; L588-F592 HydrophobicContact CG-CZ 4.2Å; L588-F592 WeakPolarHBondContact O-CB 3.34Å; L588-F592 WeakPolarHBondContact O-CD2 3.38Å; L588-F592 VanDerWaalsContact O-CG 3.3Å; L588-F592 WeakPolarHBondContact O-CG 3.24Å; L588-F592 PolarHBondContact O-N 3.11Å; T589-F592 CarbonylContact O-C 3.51Å; F592-M595 HydrophobicContact CD1-CE 3.58Å; F592-M595 HydrophobicContact CE1-CE 3.94Å; F592-M595 HydrophobicContact CG-CE 4.33Å; F592-K596 WeakPolarHBondContact O-CA 3.43Å; F592-K596 WeakPolarHBondContact O-CB 3.31Å; F592-K596 PolarHBondContact O-N 2.91Å |
| 593 | G | 68 | Low | 72.5 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 38% | 0.381 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.4 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T589 N590 S591 K596 A597 | T589-G593 WeakPolarHBondContact O-CA 3.32Å; T589-G593 PolarHBondContact O-N 3.28Å; N590-G593 CarbonylContact O-C 3.56Å; N590-G593 PolarHBondContact O-N 3.47Å; S591-G593 VanDerWaalsContact C-N 3.31Å; G593-K596 PolarHBondContact O-N 2.96Å; G593-A597 WeakPolarHBondContact O-CB 3.46Å; G593-A597 PolarHBondContact O-N 3.04Å |
| 594 | Q | 69.7 | Low | 72.3 | Confident | 143 Ų | 143 | 88.2 Ų | 88.2 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.1 | -52.1 | 169.5 | -71.7 | 174.5 | 2.9 | 0 | 0 | 110.7 | N590 S591 K596 A597 E598 | N590-Q594 WeakPolarHBondContact O-CB 3.29Å; N590-Q594 WeakPolarHBondContact O-CG 3.35Å; N590-Q594 PolarHBondContact O-N 2.98Å; S591-Q594 PolarHBondContact O-N 3.18Å; Q594-K596 PolarHBondContact O-N 3.38Å; Q594-A597 PolarHBondContact O-N 3.43Å; Q594-E598 WeakPolarHBondContact O-CB 3.4Å; Q594-E598 PolarHBondContact O-N 2.91Å |
| 595 | M | 69.4 | Low | 72.3 | Confident | 88 Ų | 88 | 86.4 Ų | 86.4 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -26.2 | 173.9 | -75 | -177 | -83.1 | 0 | 0 | 112.5 | S591 F592 R599 | S591-M595 VanDerWaalsContact O-CB 3.24Å; S591-M595 WeakPolarHBondContact O-CB 3.32Å; S591-M595 VanDerWaalsContact O-CE 3.3Å; S591-M595 WeakPolarHBondContact O-CE 3.01Å; S591-M595 VanDerWaalsContact O-CG 3.29Å; S591-M595 WeakPolarHBondContact O-CG 3.2Å; S591-M595 PolarHBondContact O-N 3.4Å; S591-M595 WeakPolarHBondContact OG-CE 3.4Å; F592-M595 HydrophobicContact CD1-CE 3.58Å; F592-M595 HydrophobicContact CE1-CE 3.94Å; F592-M595 HydrophobicContact CG-CE 4.33Å; M595-R599 WeakPolarHBondContact O-CA 3.44Å; M595-R599 WeakPolarHBondContact O-CB 3.45Å; M595-R599 PolarHBondContact O-N 3.28Å |
| 596 | K | 69.8 | Low | 72.3 | Confident | 121 Ų | 121 | 87.2 Ų | 87.2 | 53% | 0.526 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -81 | -40.5 | 173.8 | -178.5 | 180 | 176 | -169.6 | 0 | 111.4 | F592 G593 Q594 E598 R599 D600 | F592-K596 WeakPolarHBondContact O-CA 3.43Å; F592-K596 WeakPolarHBondContact O-CB 3.31Å; F592-K596 PolarHBondContact O-N 2.91Å; G593-K596 PolarHBondContact O-N 2.96Å; Q594-K596 PolarHBondContact O-N 3.38Å; K596-E598 VanDerWaalsContact C-N 3.28Å; K596-E598 PolarHBondContact O-N 3.5Å; K596-R599 PolarHBondContact O-N 3.49Å; K596-D600 WeakPolarHBondContact O-CA 3.49Å; K596-D600 WeakPolarHBondContact O-CB 3.33Å; K596-D600 PolarHBondContact O-N 2.97Å |
| 597 | A | 70.1 | Confident | 72.4 | Confident | 64 Ų | 64 | 84.7 Ų | 84.7 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | G593 Q594 D600 A601 | G593-A597 WeakPolarHBondContact O-CB 3.46Å; G593-A597 PolarHBondContact O-N 3.04Å; Q594-A597 PolarHBondContact O-N 3.43Å; A597-D600 PolarHBondContact O-N 2.97Å; A597-A601 WeakPolarHBondContact O-CB 3.41Å; A597-A601 PolarHBondContact O-N 3.4Å |
| 598 | E | 73.4 | Confident | 72.5 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.4 | -40.3 | 173.8 | -174.5 | 176.2 | -130.1 | 0 | 0 | 111.6 | Q594 K596 N602 | Q594-E598 WeakPolarHBondContact O-CB 3.4Å; Q594-E598 PolarHBondContact O-N 2.91Å; K596-E598 VanDerWaalsContact C-N 3.28Å; K596-E598 PolarHBondContact O-N 3.5Å; E598-N602 WeakPolarHBondContact O-CB 3.47Å; E598-N602 PolarHBondContact O-N 3.46Å; E598-N602 PolarHBondContact O-ND2 3.26Å |
| 599 | R | 71.2 | Confident | 72.7 | Confident | 146 Ų | 146 | 85.7 Ų | 85.7 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 171.3 | -174.3 | -152.8 | 80.9 | 124.6 | 1 | 111.4 | M595 K596 N602 V603 | M595-R599 WeakPolarHBondContact O-CA 3.44Å; M595-R599 WeakPolarHBondContact O-CB 3.45Å; M595-R599 PolarHBondContact O-N 3.28Å; K596-R599 PolarHBondContact O-N 3.49Å; R599-N602 CarbonylContact O-C 3.56Å; R599-N602 PolarHBondContact O-N 3.38Å; R599-V603 HydrophobicContact CG-CG2 4.47Å; R599-V603 WeakPolarHBondContact O-CB 3.39Å; R599-V603 VanDerWaalsContact O-CG2 3.22Å; R599-V603 WeakPolarHBondContact O-CG2 3.5Å; R599-V603 PolarHBondContact O-N 2.89Å |
| 600 | D | 74.9 | Confident | 72.6 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 30% | 0.299 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -75.1 | -37 | -177.1 | -66.8 | -3.4 | 0 | 0 | 0 | 109.6 | K596 A597 V603 C604 | K596-D600 WeakPolarHBondContact O-CA 3.49Å; K596-D600 WeakPolarHBondContact O-CB 3.33Å; K596-D600 PolarHBondContact O-N 2.97Å; A597-D600 PolarHBondContact O-N 2.97Å; D600-V603 PolarHBondContact O-N 3.29Å; D600-C604 WeakPolarHBondContact O-CB 3.48Å; D600-C604 PolarHBondContact O-N 3.39Å; D600-C604 PolarHBondContact O-SG 3.49Å; D600-C604 VanDerWaalsContact O-SG 3.39Å |
| 601 | A | 73.4 | Confident | 72.9 | Confident | 59 Ų | 59 | 86.7 Ų | 86.7 | 49% | 0.488 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A597 V603 C604 S605 | A597-A601 WeakPolarHBondContact O-CB 3.41Å; A597-A601 PolarHBondContact O-N 3.4Å; A601-V603 VanDerWaalsContact C-N 3.34Å; A601-C604 PolarHBondContact O-N 3.28Å; A601-S605 VanDerWaalsContact O-CB 3.32Å; A601-S605 WeakPolarHBondContact O-CB 3.09Å; A601-S605 PolarHBondContact O-N 2.88Å |
| 602 | N | 75.6 | Confident | 73 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -32.5 | 173.1 | -81.1 | -52.7 | 0 | 0 | 0 | 112 | E598 R599 I606 | E598-N602 WeakPolarHBondContact O-CB 3.47Å; E598-N602 PolarHBondContact O-N 3.46Å; E598-N602 PolarHBondContact O-ND2 3.26Å; R599-N602 CarbonylContact O-C 3.56Å; R599-N602 PolarHBondContact O-N 3.38Å; N602-I606 VanDerWaalsContact O-CB 3.25Å; N602-I606 WeakPolarHBondContact O-CB 3.48Å; N602-I606 WeakPolarHBondContact O-CD1 3.3Å; N602-I606 WeakPolarHBondContact O-CG1 3.27Å; N602-I606 PolarHBondContact O-N 3.23Å |
| 603 | V | 75.6 | Confident | 73.4 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 40% | 0.4 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.4 | -41.2 | 174.7 | 163.8 | 0 | 0 | 0 | 0 | 110.6 | R599 D600 A601 I606 E607 | R599-V603 HydrophobicContact CG-CG2 4.47Å; R599-V603 WeakPolarHBondContact O-CB 3.39Å; R599-V603 VanDerWaalsContact O-CG2 3.22Å; R599-V603 WeakPolarHBondContact O-CG2 3.5Å; R599-V603 PolarHBondContact O-N 2.89Å; D600-V603 PolarHBondContact O-N 3.29Å; A601-V603 VanDerWaalsContact C-N 3.34Å; V603-I606 PolarHBondContact O-N 2.99Å; V603-E607 WeakPolarHBondContact O-CB 3.45Å; V603-E607 PolarHBondContact O-N 3.05Å |
| 604 | C | 72.9 | Confident | 73.8 | Confident | 81 Ų | 81 | 90.5 Ų | 90.5 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 168.8 | -76.3 | 0 | 0 | 0 | 0 | 110.7 | D600 A601 I606 E607 E608 | D600-C604 WeakPolarHBondContact O-CB 3.48Å; D600-C604 PolarHBondContact O-N 3.39Å; D600-C604 PolarHBondContact O-SG 3.49Å; D600-C604 VanDerWaalsContact O-SG 3.39Å; A601-C604 PolarHBondContact O-N 3.28Å; C604-I606 VanDerWaalsContact C-N 3.34Å; C604-I606 PolarHBondContact O-N 2.92Å; C604-E607 CarbonylContact O-C 3.6Å; C604-E607 PolarHBondContact O-N 3.13Å; C604-E607 VanDerWaalsContact O-N 3.13Å; C604-E608 WeakPolarHBondContact O-CB 3.21Å; C604-E608 WeakPolarHBondContact O-CG 3.49Å; C604-E608 PolarHBondContact O-N 3.37Å |
| 605 | S | 73.2 | Confident | 74.1 | Confident | 46 Ų | 46 | 90.1 Ų | 90.1 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -34 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | A601 N609 | A601-S605 VanDerWaalsContact O-CB 3.32Å; A601-S605 WeakPolarHBondContact O-CB 3.09Å; A601-S605 PolarHBondContact O-N 2.88Å; S605-N609 WeakPolarHBondContact O-CB 3.45Å; S605-N609 VanDerWaalsContact O-CG 3.3Å; S605-N609 PolarHBondContact O-N 3.36Å; S605-N609 PolarHBondContact O-ND2 3.22Å; S605-N609 PolarHBondContact OG-ND2 2.93Å |
| 606 | I | 76.3 | Confident | 74.3 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 46% | 0.462 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 171.3 | -77.9 | 162.7 | 0 | 0 | 0 | 110.8 | N602 V603 C604 N609 K610 | N602-I606 VanDerWaalsContact O-CB 3.25Å; N602-I606 WeakPolarHBondContact O-CB 3.48Å; N602-I606 WeakPolarHBondContact O-CD1 3.3Å; N602-I606 WeakPolarHBondContact O-CG1 3.27Å; N602-I606 PolarHBondContact O-N 3.23Å; V603-I606 PolarHBondContact O-N 2.99Å; C604-I606 VanDerWaalsContact C-N 3.34Å; C604-I606 PolarHBondContact O-N 2.92Å; I606-N609 PolarHBondContact O-N 3.09Å; I606-K610 HydrophobicContact CG2-CD 4.42Å; I606-K610 WeakPolarHBondContact O-CB 3.3Å; I606-K610 VanDerWaalsContact O-CG 3.29Å; I606-K610 WeakPolarHBondContact O-CG 3.47Å; I606-K610 PolarHBondContact O-N 3.35Å |
| 607 | E | 73.5 | Confident | 74.6 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.6 | -34.7 | 178.4 | -153.2 | 62.6 | -135.7 | 0 | 0 | 112 | V603 C604 K610 N611 | V603-E607 WeakPolarHBondContact O-CB 3.45Å; V603-E607 PolarHBondContact O-N 3.05Å; C604-E607 CarbonylContact O-C 3.6Å; C604-E607 PolarHBondContact O-N 3.13Å; C604-E607 VanDerWaalsContact O-N 3.13Å; E607-K610 PolarHBondContact O-N 2.84Å; E607-K610 WeakPolarHBondContact OE1-CD 3.39Å; E607-K610 IonicContact OE1-NZ 3.38Å; E607-K610 VanDerWaalsContact OE2-CD 3.32Å; E607-K610 WeakPolarHBondContact OE2-CD 3.26Å; E607-K610 IonicContact OE2-NZ 3.73Å; E607-K610 PolarHBondContact OE2-NZ 3.28Å; E607-N611 VanDerWaalsContact O-CB 3.31Å; E607-N611 WeakPolarHBondContact O-CB 3.39Å; E607-N611 PolarHBondContact O-N 2.95Å; E607-N611 PolarHBondContact O-ND2 3.22Å |
| 608 | E | 75.8 | Confident | 75 | Confident | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.5 | -47.1 | 164.7 | -75 | -178.8 | 156.5 | 0 | 0 | 110.7 | C604 N611 M612 | C604-E608 WeakPolarHBondContact O-CB 3.21Å; C604-E608 WeakPolarHBondContact O-CG 3.49Å; C604-E608 PolarHBondContact O-N 3.37Å; E608-N611 CarbonylContact O-C 3.59Å; E608-N611 PolarHBondContact O-N 3.1Å; E608-M612 VanDerWaalsContact O-CB 3.31Å; E608-M612 WeakPolarHBondContact O-CB 3.42Å; E608-M612 PolarHBondContact O-N 2.98Å |
| 609 | N | 76.6 | Confident | 75.2 | Confident | 91 Ų | 91 | 91.7 Ų | 91.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 176.3 | -82.2 | -62.1 | 0 | 0 | 0 | 112.2 | S605 I606 M612 V613 | S605-N609 WeakPolarHBondContact O-CB 3.45Å; S605-N609 VanDerWaalsContact O-CG 3.3Å; S605-N609 PolarHBondContact O-N 3.36Å; S605-N609 PolarHBondContact O-ND2 3.22Å; S605-N609 PolarHBondContact OG-ND2 2.93Å; I606-N609 PolarHBondContact O-N 3.09Å; N609-M612 CarbonylContact O-C 3.51Å; N609-M612 WeakPolarHBondContact O-CB 3.4Å; N609-M612 PolarHBondContact O-N 3.39Å; N609-V613 WeakPolarHBondContact O-CB 3.47Å; N609-V613 VanDerWaalsContact O-CG2 3.29Å; N609-V613 WeakPolarHBondContact O-CG2 3.34Å; N609-V613 PolarHBondContact O-N 3.46Å |
| 610 | K | 74.4 | Confident | 75.5 | Confident | 100 Ų | 100 | 87.5 Ų | 87.5 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 170.8 | -75.8 | 170.3 | -168.4 | 166.5 | 0 | 111.7 | I606 E607 M612 V613 K614 | I606-K610 HydrophobicContact CG2-CD 4.42Å; I606-K610 WeakPolarHBondContact O-CB 3.3Å; I606-K610 VanDerWaalsContact O-CG 3.29Å; I606-K610 WeakPolarHBondContact O-CG 3.47Å; I606-K610 PolarHBondContact O-N 3.35Å; E607-K610 PolarHBondContact O-N 2.84Å; E607-K610 WeakPolarHBondContact OE1-CD 3.39Å; E607-K610 IonicContact OE1-NZ 3.38Å; E607-K610 VanDerWaalsContact OE2-CD 3.32Å; E607-K610 WeakPolarHBondContact OE2-CD 3.26Å; E607-K610 IonicContact OE2-NZ 3.73Å; E607-K610 PolarHBondContact OE2-NZ 3.28Å; K610-M612 VanDerWaalsContact C-N 3.35Å; K610-V613 PolarHBondContact O-N 2.66Å; K610-K614 WeakPolarHBondContact O-CG 3.44Å; K610-K614 PolarHBondContact O-N 2.95Å |
| 611 | N | 77.2 | Confident | 75.5 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.6 | -32.7 | 176.9 | -70.6 | -32 | 0 | 0 | 0 | 111.3 | E607 E608 K614 Q615 | E607-N611 VanDerWaalsContact O-CB 3.31Å; E607-N611 WeakPolarHBondContact O-CB 3.39Å; E607-N611 PolarHBondContact O-N 2.95Å; E607-N611 PolarHBondContact O-ND2 3.22Å; E608-N611 CarbonylContact O-C 3.59Å; E608-N611 PolarHBondContact O-N 3.1Å; N611-K614 PolarHBondContact O-N 2.74Å; N611-K614 PolarHBondContact OD1-NZ 2.88Å; N611-Q615 WeakPolarHBondContact O-CB 3.18Å; N611-Q615 VanDerWaalsContact O-CG 3.3Å; N611-Q615 WeakPolarHBondContact O-CG 3.22Å; N611-Q615 PolarHBondContact O-N 3.35Å |
| 612 | M | 73.3 | Confident | 75.6 | Confident | 101 Ų | 101 | 93.6 Ų | 93.6 | 50% | 0.498 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 168.9 | -162.8 | 73.1 | 70.6 | 0 | 0 | 110.8 | E608 N609 K610 Q615 L616 | E608-M612 VanDerWaalsContact O-CB 3.31Å; E608-M612 WeakPolarHBondContact O-CB 3.42Å; E608-M612 PolarHBondContact O-N 2.98Å; N609-M612 CarbonylContact O-C 3.51Å; N609-M612 WeakPolarHBondContact O-CB 3.4Å; N609-M612 PolarHBondContact O-N 3.39Å; K610-M612 VanDerWaalsContact C-N 3.35Å; M612-Q615 CarbonylContact O-C 3.55Å; M612-Q615 PolarHBondContact O-N 2.93Å; M612-L616 HydrophobicContact CG-CD1 4.13Å; M612-L616 VanDerWaalsContact O-CB 3.31Å; M612-L616 WeakPolarHBondContact O-CB 3.46Å; M612-L616 WeakPolarHBondContact O-CG 3.3Å; M612-L616 PolarHBondContact O-N 3.39Å |
| 613 | V | 76.3 | Confident | 75.5 | Confident | 52 Ų | 52 | 92 Ų | 92 | 32% | 0.315 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 172.7 | 166 | 0 | 0 | 0 | 0 | 110.4 | N609 K610 Q615 L616 E617 | N609-V613 WeakPolarHBondContact O-CB 3.47Å; N609-V613 VanDerWaalsContact O-CG2 3.29Å; N609-V613 WeakPolarHBondContact O-CG2 3.34Å; N609-V613 PolarHBondContact O-N 3.46Å; K610-V613 PolarHBondContact O-N 2.66Å; V613-Q615 VanDerWaalsContact C-N 3.3Å; V613-Q615 PolarHBondContact O-N 2.6Å; V613-L616 CarbonylContact O-C 3.57Å; V613-L616 PolarHBondContact O-N 2.91Å; V613-E617 HydrophobicContact CG1-CG 4.22Å; V613-E617 WeakPolarHBondContact O-CB 3.42Å; V613-E617 VanDerWaalsContact O-CG 3.31Å; V613-E617 WeakPolarHBondContact O-CG 3.29Å; V613-E617 PolarHBondContact O-N 2.64Å |
| 614 | K | 77.3 | Confident | 75.5 | Confident | 112 Ų | 112 | 92.6 Ų | 92.6 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.7 | -39.5 | 174.6 | -69.9 | 168.6 | -167.7 | 160.2 | 0 | 112.5 | K610 N611 S618 | K610-K614 WeakPolarHBondContact O-CG 3.44Å; K610-K614 PolarHBondContact O-N 2.95Å; N611-K614 PolarHBondContact O-N 2.74Å; N611-K614 PolarHBondContact OD1-NZ 2.88Å; K614-S618 VanDerWaalsContact O-CB 3.28Å; K614-S618 WeakPolarHBondContact O-CB 3.28Å; K614-S618 PolarHBondContact O-N 3.35Å |
| 615 | Q | 76.3 | Confident | 75.7 | Confident | 135 Ų | 135 | 95.9 Ų | 95.9 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 174.2 | -77.7 | -176.4 | 29.9 | 0 | 0 | 111.6 | N611 M612 V613 S618 R619 | N611-Q615 WeakPolarHBondContact O-CB 3.18Å; N611-Q615 VanDerWaalsContact O-CG 3.3Å; N611-Q615 WeakPolarHBondContact O-CG 3.22Å; N611-Q615 PolarHBondContact O-N 3.35Å; M612-Q615 CarbonylContact O-C 3.55Å; M612-Q615 PolarHBondContact O-N 2.93Å; V613-Q615 VanDerWaalsContact C-N 3.3Å; V613-Q615 PolarHBondContact O-N 2.6Å; Q615-S618 PolarHBondContact O-N 2.72Å; Q615-R619 WeakPolarHBondContact O-CB 3.26Å; Q615-R619 PolarHBondContact O-N 3.32Å |
| 616 | L | 72.8 | Confident | 75.7 | Confident | 80 Ų | 80 | 97.7 Ų | 97.7 | 42% | 0.419 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.3 | -35.6 | 177 | -73.5 | 167.5 | 0 | 0 | 0 | 112.3 | M612 V613 R619 L620 L664 | M612-L616 HydrophobicContact CG-CD1 4.13Å; M612-L616 VanDerWaalsContact O-CB 3.31Å; M612-L616 WeakPolarHBondContact O-CB 3.46Å; M612-L616 WeakPolarHBondContact O-CG 3.3Å; M612-L616 PolarHBondContact O-N 3.39Å; V613-L616 CarbonylContact O-C 3.57Å; V613-L616 PolarHBondContact O-N 2.91Å; L616-R619 PolarHBondContact O-N 3.46Å; L616-L620 WeakPolarHBondContact O-CB 3.41Å; L616-L620 PolarHBondContact O-N 2.95Å; L616-L664 HydrophobicContact CD1-CD2 4.31Å |
| 617 | E | 77.4 | Confident | 75.4 | Confident | 113 Ų | 113 | 98 Ų | 98 | 53% | 0.528 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 170.9 | -74 | 175.1 | 149.7 | 0 | 0 | 110.6 | V613 R619 L620 H621 | V613-E617 HydrophobicContact CG1-CG 4.22Å; V613-E617 WeakPolarHBondContact O-CB 3.42Å; V613-E617 VanDerWaalsContact O-CG 3.31Å; V613-E617 WeakPolarHBondContact O-CG 3.29Å; V613-E617 PolarHBondContact O-N 2.64Å; E617-R619 VanDerWaalsContact C-N 3.35Å; E617-R619 PolarHBondContact O-N 2.86Å; E617-L620 PolarHBondContact O-N 3.48Å; E617-H621 WeakPolarHBondContact O-CB 3.15Å; E617-H621 PolarHBondContact O-N 2.82Å |
| 618 | S | 76.7 | Confident | 75.5 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 173.4 | -174 | 0 | 0 | 0 | 0 | 111.4 | K614 Q615 L620 H621 Q622 | K614-S618 VanDerWaalsContact O-CB 3.28Å; K614-S618 WeakPolarHBondContact O-CB 3.28Å; K614-S618 PolarHBondContact O-N 3.35Å; Q615-S618 PolarHBondContact O-N 2.72Å; S618-L620 VanDerWaalsContact C-N 3.35Å; S618-L620 PolarHBondContact O-N 3.31Å; S618-H621 PolarHBondContact O-N 2.86Å; S618-Q622 VanDerWaalsContact O-CB 3.31Å; S618-Q622 WeakPolarHBondContact O-CB 3.48Å; S618-Q622 PolarHBondContact O-N 3.45Å |
| 619 | R | 78.4 | Confident | 75.4 | Confident | 155 Ų | 155 | 96.5 Ų | 96.5 | 59% | 0.585 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 175.4 | -161.1 | 70.9 | 163.3 | -161.9 | -4.4 | 111.7 | Q615 L616 E617 Q622 L623 | Q615-R619 WeakPolarHBondContact O-CB 3.26Å; Q615-R619 PolarHBondContact O-N 3.32Å; L616-R619 PolarHBondContact O-N 3.46Å; E617-R619 VanDerWaalsContact C-N 3.35Å; E617-R619 PolarHBondContact O-N 2.86Å; R619-Q622 PolarHBondContact O-N 3.24Å; R619-L623 HydrophobicContact CG-CD1 4.18Å; R619-L623 VanDerWaalsContact O-CB 3.25Å; R619-L623 WeakPolarHBondContact O-CB 3.44Å; R619-L623 WeakPolarHBondContact O-CD1 3.19Å; R619-L623 WeakPolarHBondContact O-CG 3.28Å; R619-L623 PolarHBondContact O-N 2.77Å |
| 620 | L | 76.7 | Confident | 74.9 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 176.7 | -177.6 | 150.5 | 0 | 0 | 0 | 110.7 | L616 E617 S618 Q622 L623 E624 L661 | L616-L620 WeakPolarHBondContact O-CB 3.41Å; L616-L620 PolarHBondContact O-N 2.95Å; E617-L620 PolarHBondContact O-N 3.48Å; S618-L620 VanDerWaalsContact C-N 3.35Å; S618-L620 PolarHBondContact O-N 3.31Å; L620-Q622 VanDerWaalsContact C-N 3.33Å; L620-Q622 PolarHBondContact O-N 2.93Å; L620-L623 CarbonylContact O-C 3.54Å; L620-L623 PolarHBondContact O-N 2.74Å; L620-E624 HydrophobicContact CD2-CG 4.29Å; L620-E624 WeakPolarHBondContact O-CB 3.45Å; L620-E624 WeakPolarHBondContact O-CG 3.4Å; L620-E624 PolarHBondContact O-N 2.73Å; L620-L661 HydrophobicContact CD1-CD2 3.64Å; L620-L661 HydrophobicContact CG-CD2 4.01Å |
| 621 | H | 76.6 | Confident | 74.5 | Confident | 137 Ų | 137 | 95.3 Ų | 95.3 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | 175.5 | -157.1 | -92.3 | 0 | 0 | 0 | 111.7 | E617 S618 E624 F625 | E617-H621 WeakPolarHBondContact O-CB 3.15Å; E617-H621 PolarHBondContact O-N 2.82Å; S618-H621 PolarHBondContact O-N 2.86Å; H621-E624 PolarHBondContact O-N 2.74Å; H621-F625 PolarHBondContact O-N 2.79Å |
| 622 | Q | 75.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 172.1 | -169.1 | 172.7 | 47.5 | 0 | 0 | 111.8 | S618 R619 L620 E624 F625 E626 | S618-Q622 VanDerWaalsContact O-CB 3.31Å; S618-Q622 WeakPolarHBondContact O-CB 3.48Å; S618-Q622 PolarHBondContact O-N 3.45Å; R619-Q622 PolarHBondContact O-N 3.24Å; L620-Q622 VanDerWaalsContact C-N 3.33Å; L620-Q622 PolarHBondContact O-N 2.93Å; Q622-E624 VanDerWaalsContact C-N 3.34Å; Q622-F625 WeakPolarHBondContact O-CB 3.48Å; Q622-F625 PolarHBondContact O-N 2.96Å; Q622-E626 PolarHBondContact O-N 3.31Å |
| 623 | L | 74 | Confident | 73.6 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 29% | 0.293 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68 | -29.7 | 174.1 | -75.9 | 166.5 | 0 | 0 | 0 | 112.8 | R619 L620 K627 K657 | R619-L623 HydrophobicContact CG-CD1 4.18Å; R619-L623 VanDerWaalsContact O-CB 3.25Å; R619-L623 WeakPolarHBondContact O-CB 3.44Å; R619-L623 WeakPolarHBondContact O-CD1 3.19Å; R619-L623 WeakPolarHBondContact O-CG 3.28Å; R619-L623 PolarHBondContact O-N 2.77Å; L620-L623 CarbonylContact O-C 3.54Å; L620-L623 PolarHBondContact O-N 2.74Å; L623-K627 VanDerWaalsContact O-CB 3.23Å; L623-K627 WeakPolarHBondContact O-CB 2.94Å; L623-K627 PolarHBondContact O-N 3.5Å; L623-K657 HydrophobicContact CD2-CD 4.3Å; L623-K657 VanDerWaalsContact CD2-NZ 3.26Å |
| 624 | E | 74.7 | Confident | 72.6 | Confident | 79 Ų | 79 | 100.2 Ų | 100.2 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 170.2 | -81.2 | -153.8 | 175.6 | 0 | 0 | 112.1 | L620 H621 Q622 K627 R628 | L620-E624 HydrophobicContact CD2-CG 4.29Å; L620-E624 WeakPolarHBondContact O-CB 3.45Å; L620-E624 WeakPolarHBondContact O-CG 3.4Å; L620-E624 PolarHBondContact O-N 2.73Å; H621-E624 PolarHBondContact O-N 2.74Å; Q622-E624 VanDerWaalsContact C-N 3.34Å; E624-K627 PolarHBondContact O-N 3.22Å; E624-R628 WeakPolarHBondContact O-CG 3.24Å; E624-R628 PolarHBondContact O-N 2.84Å; E624-R628 PolarHBondContact O-NH1 3.46Å; E624-R628 IonicContact OE2-CZ 2.81Å; E624-R628 IonicContact OE2-NH1 3.44Å; E624-R628 IonicContact OE2-NH2 3.13Å; E624-R628 PolarHBondContact OE2-NH2 3.47Å; E624-R628 VanDerWaalsContact OE2-NH2 3.13Å |
| 625 | F | 76.1 | Confident | 71.9 | Confident | 150 Ų | 150 | 100.3 Ų | 100.3 | 66% | 0.658 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.6 | -47.2 | 172.1 | -171.6 | -91.8 | 0 | 0 | 0 | 110.8 | H621 Q622 K627 R628 A629 | H621-F625 PolarHBondContact O-N 2.79Å; Q622-F625 WeakPolarHBondContact O-CB 3.48Å; Q622-F625 PolarHBondContact O-N 2.96Å; F625-K627 VanDerWaalsContact C-N 3.28Å; F625-K627 PolarHBondContact O-N 2.91Å; F625-R628 PolarHBondContact O-N 3.46Å; F625-A629 PolarHBondContact O-N 2.71Å |
| 626 | E | 74.4 | Confident | 71 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -53.8 | -44 | 168.5 | -76.6 | -177.1 | -165.6 | 0 | 0 | 111.6 | Q622 R628 A629 L630 K657 | Q622-E626 PolarHBondContact O-N 3.31Å; E626-R628 PolarHBondContact O-N 2.85Å; E626-A629 PolarHBondContact O-N 2.87Å; E626-L630 WeakPolarHBondContact O-CB 3.17Å; E626-L630 PolarHBondContact O-N 3.03Å; E626-K657 IonicContact OE2-NZ 3.55Å; E626-K657 PolarHBondContact OE2-NZ 3.29Å |
| 627 | K | 70.1 | Confident | 70.1 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | -179.8 | -178.6 | -179.9 | 176.1 | -179.7 | 0 | 112.2 | L623 E624 F625 N631 | L623-K627 VanDerWaalsContact O-CB 3.23Å; L623-K627 WeakPolarHBondContact O-CB 2.94Å; L623-K627 PolarHBondContact O-N 3.5Å; E624-K627 PolarHBondContact O-N 3.22Å; F625-K627 VanDerWaalsContact C-N 3.28Å; F625-K627 PolarHBondContact O-N 2.91Å; K627-N631 WeakPolarHBondContact O-CB 3.34Å; K627-N631 PolarHBondContact O-N 3.38Å; K627-N631 VanDerWaalsContact O-N 3.08Å |
| 628 | R | 74.4 | Confident | 68.9 | Low | 131 Ų | 131 | 101.4 Ų | 101.4 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -52.7 | 172.5 | -70.5 | 179.3 | -170.9 | 84.5 | 3 | 110 | E624 F625 E626 L630 N631 E632 | E624-R628 WeakPolarHBondContact O-CG 3.24Å; E624-R628 PolarHBondContact O-N 2.84Å; E624-R628 PolarHBondContact O-NH1 3.46Å; E624-R628 IonicContact OE2-CZ 2.81Å; E624-R628 IonicContact OE2-NH1 3.44Å; E624-R628 IonicContact OE2-NH2 3.13Å; E624-R628 PolarHBondContact OE2-NH2 3.47Å; E624-R628 VanDerWaalsContact OE2-NH2 3.13Å; F625-R628 PolarHBondContact O-N 3.46Å; E626-R628 PolarHBondContact O-N 2.85Å; R628-L630 PolarHBondContact O-N 3.17Å; R628-N631 PolarHBondContact O-N 3.35Å; R628-N631 VanDerWaalsContact O-N 3.15Å; R628-E632 WeakPolarHBondContact O-CG 3.48Å; R628-E632 PolarHBondContact O-N 2.74Å |
| 629 | A | 74.3 | Confident | 67.7 | Low | 43 Ų | 43 | 103.8 Ų | 103.8 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F625 E626 N631 E632 Q633 | F625-A629 PolarHBondContact O-N 2.71Å; E626-A629 PolarHBondContact O-N 2.87Å; A629-N631 VanDerWaalsContact C-N 3.35Å; A629-N631 PolarHBondContact O-N 2.92Å; A629-E632 PolarHBondContact O-N 2.96Å; A629-Q633 VanDerWaalsContact O-CB 3.24Å; A629-Q633 WeakPolarHBondContact O-CB 3.38Å; A629-Q633 PolarHBondContact O-N 3.24Å |
| 630 | L | 66 | Low | 66.3 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.8 | -32.7 | 178 | -129.9 | 93.5 | 0 | 0 | 0 | 112.4 | E626 R628 Q633 M634 L650 | E626-L630 WeakPolarHBondContact O-CB 3.17Å; E626-L630 PolarHBondContact O-N 3.03Å; R628-L630 PolarHBondContact O-N 3.17Å; L630-Q633 PolarHBondContact O-N 3.03Å; L630-M634 WeakPolarHBondContact O-CG 3.35Å; L630-M634 PolarHBondContact O-N 2.83Å; L630-L650 HydrophobicContact CD2-CD1 4.3Å |
| 631 | N | 66.5 | Low | 64.4 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.3 | -39.4 | 177.3 | -168.7 | 57.6 | 0 | 0 | 0 | 111.2 | K627 R628 A629 Q633 M634 L635 | K627-N631 WeakPolarHBondContact O-CB 3.34Å; K627-N631 PolarHBondContact O-N 3.38Å; K627-N631 VanDerWaalsContact O-N 3.08Å; R628-N631 PolarHBondContact O-N 3.35Å; R628-N631 VanDerWaalsContact O-N 3.15Å; A629-N631 VanDerWaalsContact C-N 3.35Å; A629-N631 PolarHBondContact O-N 2.92Å; N631-Q633 VanDerWaalsContact C-N 3.35Å; N631-M634 PolarHBondContact O-N 3.13Å; N631-L635 PolarHBondContact O-N 2.98Å |
| 632 | E | 68.6 | Low | 62.7 | Low | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 168.2 | -72.1 | 169.6 | -171.8 | 0 | 0 | 111.4 | R628 A629 L635 A636 | R628-E632 WeakPolarHBondContact O-CG 3.48Å; R628-E632 PolarHBondContact O-N 2.74Å; A629-E632 PolarHBondContact O-N 2.96Å; E632-L635 WeakPolarHBondContact O-CB 3.15Å; E632-L635 PolarHBondContact O-N 2.83Å; E632-L635 VanDerWaalsContact O-N 3.16Å; E632-A636 PolarHBondContact O-N 3.02Å |
| 633 | Q | 63.5 | Low | 60.9 | Low | 122 Ų | 122 | 106.2 Ų | 106.2 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.6 | -34.8 | 176.6 | -163.4 | 174 | 24.3 | 0 | 0 | 112.3 | A629 L630 N631 S637 | A629-Q633 VanDerWaalsContact O-CB 3.24Å; A629-Q633 WeakPolarHBondContact O-CB 3.38Å; A629-Q633 PolarHBondContact O-N 3.24Å; L630-Q633 PolarHBondContact O-N 3.03Å; N631-Q633 VanDerWaalsContact C-N 3.35Å; Q633-S637 VanDerWaalsContact O-CB 3.22Å; Q633-S637 WeakPolarHBondContact O-CB 3.47Å; Q633-S637 PolarHBondContact O-N 2.72Å; Q633-S637 PolarHBondContact O-OG 2.78Å |
| 634 | M | 55.1 | Low | 59.3 | Low | 73 Ų | 73 | 109 Ų | 109 | 36% | 0.36 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.8 | -41.1 | 168.1 | -81.3 | -150.3 | -55 | 0 | 0 | 112.1 | L630 N631 S637 R638 L650 | L630-M634 WeakPolarHBondContact O-CG 3.35Å; L630-M634 PolarHBondContact O-N 2.83Å; N631-M634 PolarHBondContact O-N 3.13Å; M634-S637 PolarHBondContact O-N 2.76Å; M634-R638 PolarHBondContact O-N 3.04Å; M634-L650 HydrophobicContact CG-CD2 3.85Å; M634-L650 HydrophobicContact SD-CD2 3.95Å |
| 635 | L | 62.2 | Low | 58.1 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.3 | -42.2 | 176.4 | -100.9 | 136 | 0 | 0 | 0 | 111.6 | N631 E632 R638 T639 | N631-L635 PolarHBondContact O-N 2.98Å; E632-L635 WeakPolarHBondContact O-CB 3.15Å; E632-L635 PolarHBondContact O-N 2.83Å; E632-L635 VanDerWaalsContact O-N 3.16Å; L635-R638 WeakPolarHBondContact O-CB 3.19Å; L635-R638 PolarHBondContact O-N 3.39Å; L635-T639 PolarHBondContact O-OG1 2.78Å |
| 636 | A | 57.9 | Low | 57.3 | Low | 56 Ų | 56 | 106.4 Ų | 106.4 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.6 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E632 R638 T639 A640 | E632-A636 PolarHBondContact O-N 3.02Å; A636-R638 PolarHBondContact O-N 2.79Å; A636-T639 PolarHBondContact O-N 2.81Å; A636-T639 PolarHBondContact O-OG1 2.76Å; A636-T639 VanDerWaalsContact O-OG1 3.1Å; A636-A640 PolarHBondContact O-N 3.47Å; A636-A640 VanDerWaalsContact O-N 3.12Å |
| 637 | S | 54.3 | Low | 56.4 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.2 | -17 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | Q633 M634 T639 | Q633-S637 VanDerWaalsContact O-CB 3.22Å; Q633-S637 WeakPolarHBondContact O-CB 3.47Å; Q633-S637 PolarHBondContact O-N 2.72Å; Q633-S637 PolarHBondContact O-OG 2.78Å; M634-S637 PolarHBondContact O-N 2.76Å; S637-T639 VanDerWaalsContact C-N 3.29Å |
| 638 | R | 51.4 | Low | 56.1 | Low | 219 Ų | 219 | 110.4 Ų | 110.4 | 83% | 0.826 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -14.6 | 169.5 | -104.5 | -175.7 | 170.3 | -165.4 | -2.4 | 113.9 | M634 L635 A636 | M634-R638 PolarHBondContact O-N 3.04Å; L635-R638 WeakPolarHBondContact O-CB 3.19Å; L635-R638 PolarHBondContact O-N 3.39Å; A636-R638 PolarHBondContact O-N 2.79Å |
| 639 | T | 52.2 | Low | 55.6 | Low | 129 Ų | 129 | 108.7 Ų | 108.7 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -8 | 179.3 | 31.7 | 0 | 0 | 0 | 0 | 114.1 | L635 A636 S637 | L635-T639 PolarHBondContact O-OG1 2.78Å; A636-T639 PolarHBondContact O-N 2.81Å; A636-T639 PolarHBondContact O-OG1 2.76Å; A636-T639 VanDerWaalsContact O-OG1 3.1Å; S637-T639 VanDerWaalsContact C-N 3.29Å |
| 640 | A | 48.2 | Very low | 55.1 | Low | 71 Ų | 71 | 109 Ų | 109 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -109.6 | 134.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A636 | A636-A640 PolarHBondContact O-N 3.47Å; A636-A640 VanDerWaalsContact O-N 3.12Å |
| 641 | L | 36.6 | Very low | 55.2 | Low | 178 Ų | 178 | 107.3 Ų | 107.3 | 93% | 0.932 | 58% | 0.579 | S | S | * | * | trans | -84 | 144.7 | 179.3 | -73.6 | 157.9 | 0 | 0 | 0 | 111.9 | ||||
| 642 | S | 41 | Very low | 55.6 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 74% | 0.741 | 58% | 0.581 | S | S | * | * | trans | 98.9 | 129.8 | 158.9 | -148.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 643 | L | 38.3 | Very low | 55.8 | Low | 152 Ų | 152 | 107.5 Ų | 107.5 | 80% | 0.796 | 58% | 0.575 | S | S | * | * | trans | 75.6 | 101.1 | 155.1 | -69.8 | 161.2 | 0 | 0 | 0 | 122.4 | ||||
| 644 | S | 40.1 | Very low | 56.2 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 79% | 0.79 | 57% | 0.568 | S | S | * | * | 67.3 | 71.7 | 126.5 | 68.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 645 | E | 49.1 | Very low | 57.1 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | -140.5 | 144.1 | 127.4 | -142 | -174.7 | -166.1 | 0 | 0 | 107.5 | Y647 R653 | E645-Y647 PolarHBondContact O-N 2.73Å; E645-R653 IonicContact OE1-CZ 3.99Å; E645-R653 IonicContact OE1-NH1 3.88Å; E645-R653 PolarHBondContact OE1-NH1 2.86Å; E645-R653 VanDerWaalsContact OE1-NH1 3.13Å; E645-R653 IonicContact OE1-NH2 3.67Å; E645-R653 PolarHBondContact OE1-NH2 3.29Å; E645-R653 IonicContact OE2-CZ 2.7Å; E645-R653 IonicContact OE2-NH1 2.74Å; E645-R653 PolarHBondContact OE2-NH1 3.02Å; E645-R653 IonicContact OE2-NH2 3.71Å | |||
| 646 | P | 60 | Low | 57.8 | Low | 68 Ų | 68 | 107 Ų | 107 | 44% | 0.442 | 57% | 0.571 | S | S | . | * | trans | -69.4 | 129 | -175.9 | -19.4 | 33.1 | 0 | 0 | 0 | 111.9 | D648 Q649 L650 | P646-D648 PolarHBondContact O-N 2.92Å; P646-D648 VanDerWaalsContact O-N 3.13Å; P646-Q649 HydrophobicContact CB-CG 4.18Å; P646-Q649 HydrophobicContact CG-CG 4.34Å; P646-Q649 WeakPolarHBondContact O-CB 3.41Å; P646-Q649 PolarHBondContact O-N 2.88Å; P646-L650 PolarHBondContact O-N 2.92Å | ||
| 647 | Y | 54.5 | Low | 58.6 | Low | 150 Ų | 150 | 109 Ų | 109 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.4 | -40.8 | -177 | -176.7 | -109.6 | 0 | 0 | 0 | 113 | E645 Q649 L650 V651 | E645-Y647 PolarHBondContact O-N 2.73Å; Y647-Q649 VanDerWaalsContact C-N 3.28Å; Y647-Q649 PolarHBondContact O-N 2.86Å; Y647-L650 WeakPolarHBondContact O-CB 3.12Å; Y647-L650 PolarHBondContact O-N 3.16Å; Y647-L650 VanDerWaalsContact O-N 3.08Å; Y647-V651 HydrophobicContact CD1-CG2 4Å; Y647-V651 HydrophobicContact CE1-CG2 3.69Å; Y647-V651 HydrophobicContact CE2-CG2 4.36Å; Y647-V651 HydrophobicContact CG-CG2 4.48Å; Y647-V651 WeakPolarHBondContact O-CG2 3.29Å; Y647-V651 PolarHBondContact O-N 2.84Å |
| 648 | D | 64.1 | Low | 59.5 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 60% | 0.599 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -29.3 | 179 | -52.5 | -53.7 | 0 | 0 | 0 | 113.2 | P646 N652 | P646-D648 PolarHBondContact O-N 2.92Å; P646-D648 VanDerWaalsContact O-N 3.13Å; D648-N652 VanDerWaalsContact O-CB 3.26Å; D648-N652 WeakPolarHBondContact O-CB 3.13Å; D648-N652 PolarHBondContact O-N 3.22Å; D648-N652 PolarHBondContact O-ND2 2.92Å; D648-N652 VanDerWaalsContact O-ND2 3.11Å |
| 649 | Q | 63.7 | Low | 60.7 | Low | 96 Ų | 96 | 100.9 Ų | 100.9 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 174.3 | -65 | -174 | 9.1 | 0 | 0 | 111.2 | P646 Y647 N652 R653 | P646-Q649 HydrophobicContact CB-CG 4.18Å; P646-Q649 HydrophobicContact CG-CG 4.34Å; P646-Q649 WeakPolarHBondContact O-CB 3.41Å; P646-Q649 PolarHBondContact O-N 2.88Å; Y647-Q649 VanDerWaalsContact C-N 3.28Å; Y647-Q649 PolarHBondContact O-N 2.86Å; Q649-N652 PolarHBondContact O-N 3.05Å; Q649-R653 WeakPolarHBondContact O-CG 3.48Å; Q649-R653 PolarHBondContact O-N 3.29Å |
| 650 | L | 63.5 | Low | 61.8 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 175.5 | -152.8 | 79 | 0 | 0 | 0 | 111.1 | L630 M634 P646 Y647 R653 Y654 | L630-L650 HydrophobicContact CD2-CD1 4.3Å; M634-L650 HydrophobicContact CG-CD2 3.85Å; M634-L650 HydrophobicContact SD-CD2 3.95Å; P646-L650 PolarHBondContact O-N 2.92Å; Y647-L650 WeakPolarHBondContact O-CB 3.12Å; Y647-L650 PolarHBondContact O-N 3.16Å; Y647-L650 VanDerWaalsContact O-N 3.08Å; L650-R653 PolarHBondContact O-N 3.27Å; L650-Y654 WeakPolarHBondContact O-CB 3.19Å; L650-Y654 PolarHBondContact O-N 2.81Å |
| 651 | V | 69.6 | Low | 63 | Low | 46 Ų | 46 | 96.6 Ų | 96.6 | 28% | 0.279 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | Y647 Y654 N655 | Y647-V651 HydrophobicContact CD1-CG2 4Å; Y647-V651 HydrophobicContact CE1-CG2 3.69Å; Y647-V651 HydrophobicContact CE2-CG2 4.36Å; Y647-V651 HydrophobicContact CG-CG2 4.48Å; Y647-V651 WeakPolarHBondContact O-CG2 3.29Å; Y647-V651 PolarHBondContact O-N 2.84Å; V651-Y654 WeakPolarHBondContact O-CB 3.24Å; V651-Y654 PolarHBondContact O-N 2.72Å; V651-N655 WeakPolarHBondContact O-CB 3.39Å; V651-N655 VanDerWaalsContact O-CG 3.26Å; V651-N655 PolarHBondContact O-N 2.83Å; V651-N655 PolarHBondContact O-ND2 3.42Å |
| 652 | N | 73.6 | Confident | 64.9 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 177.3 | -73.6 | -27.9 | 0 | 0 | 0 | 112.7 | D648 Q649 Y654 N655 N656 | D648-N652 VanDerWaalsContact O-CB 3.26Å; D648-N652 WeakPolarHBondContact O-CB 3.13Å; D648-N652 PolarHBondContact O-N 3.22Å; D648-N652 PolarHBondContact O-ND2 2.92Å; D648-N652 VanDerWaalsContact O-ND2 3.11Å; Q649-N652 PolarHBondContact O-N 3.05Å; N652-Y654 VanDerWaalsContact C-N 3.29Å; N652-Y654 PolarHBondContact O-N 3.28Å; N652-N655 PolarHBondContact O-N 3.5Å; N652-N656 WeakPolarHBondContact O-CB 3.47Å; N652-N656 PolarHBondContact O-N 2.8Å; N652-N656 PolarHBondContact O-ND2 3.14Å |
| 653 | R | 72.4 | Confident | 66.6 | Low | 131 Ų | 131 | 91.4 Ų | 91.4 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 170.1 | -75.1 | 179.8 | -168.8 | 146.1 | 8.3 | 111.4 | E645 Q649 L650 K657 | E645-R653 IonicContact OE1-CZ 3.99Å; E645-R653 IonicContact OE1-NH1 3.88Å; E645-R653 PolarHBondContact OE1-NH1 2.86Å; E645-R653 VanDerWaalsContact OE1-NH1 3.13Å; E645-R653 IonicContact OE1-NH2 3.67Å; E645-R653 PolarHBondContact OE1-NH2 3.29Å; E645-R653 IonicContact OE2-CZ 2.7Å; E645-R653 IonicContact OE2-NH1 2.74Å; E645-R653 PolarHBondContact OE2-NH1 3.02Å; E645-R653 IonicContact OE2-NH2 3.71Å; Q649-R653 WeakPolarHBondContact O-CG 3.48Å; Q649-R653 PolarHBondContact O-N 3.29Å; L650-R653 PolarHBondContact O-N 3.27Å; R653-K657 PolarHBondContact O-N 2.91Å; R653-K657 VanDerWaalsContact O-N 3.14Å |
| 654 | Y | 72.3 | Confident | 68.4 | Low | 106 Ų | 106 | 88 Ų | 88 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.6 | -48.1 | 178.6 | -175.3 | -100.7 | 0 | 0 | 0 | 112.5 | L650 V651 N652 N656 K657 L658 | L650-Y654 WeakPolarHBondContact O-CB 3.19Å; L650-Y654 PolarHBondContact O-N 2.81Å; V651-Y654 WeakPolarHBondContact O-CB 3.24Å; V651-Y654 PolarHBondContact O-N 2.72Å; N652-Y654 VanDerWaalsContact C-N 3.29Å; N652-Y654 PolarHBondContact O-N 3.28Å; Y654-N656 PolarHBondContact O-N 3.26Å; Y654-K657 PolarHBondContact O-N 3.4Å; Y654-L658 HydrophobicContact CD1-CD1 3.92Å; Y654-L658 HydrophobicContact CE1-CD1 3.42Å; Y654-L658 VanDerWaalsContact CE1-CD1 3.42Å; Y654-L658 HydrophobicContact CE1-CG 4.2Å; Y654-L658 PolarHBondContact O-N 3.28Å |
| 655 | N | 74.3 | Confident | 70 | Confident | 76 Ų | 76 | 89.8 Ų | 89.8 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 179 | -68 | -16.3 | 0 | 0 | 0 | 112 | V651 N652 L658 A659 | V651-N655 WeakPolarHBondContact O-CB 3.39Å; V651-N655 VanDerWaalsContact O-CG 3.26Å; V651-N655 PolarHBondContact O-N 2.83Å; V651-N655 PolarHBondContact O-ND2 3.42Å; N652-N655 PolarHBondContact O-N 3.5Å; N655-L658 WeakPolarHBondContact O-CB 3.44Å; N655-L658 PolarHBondContact O-N 2.95Å; N655-A659 PolarHBondContact O-N 2.8Å |
| 656 | N | 76.6 | Confident | 71.5 | Confident | 114 Ų | 114 | 90.4 Ų | 90.4 | 61% | 0.61 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 176.2 | -68.9 | -5.9 | 0 | 0 | 0 | 112.2 | N652 Y654 L658 A660 | N652-N656 WeakPolarHBondContact O-CB 3.47Å; N652-N656 PolarHBondContact O-N 2.8Å; N652-N656 PolarHBondContact O-ND2 3.14Å; Y654-N656 PolarHBondContact O-N 3.26Å; N656-L658 VanDerWaalsContact C-N 3.32Å; N656-L658 PolarHBondContact O-N 3.21Å; N656-A660 PolarHBondContact O-N 3.01Å |
| 657 | K | 74.5 | Confident | 72.2 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -32.9 | 171.2 | -82.1 | -170.5 | 173.7 | -174.6 | 0 | 112.2 | L623 E626 R653 Y654 L661 | L623-K657 HydrophobicContact CD2-CD 4.3Å; L623-K657 VanDerWaalsContact CD2-NZ 3.26Å; E626-K657 IonicContact OE2-NZ 3.55Å; E626-K657 PolarHBondContact OE2-NZ 3.29Å; R653-K657 PolarHBondContact O-N 2.91Å; R653-K657 VanDerWaalsContact O-N 3.14Å; Y654-K657 PolarHBondContact O-N 3.4Å; K657-L661 WeakPolarHBondContact O-CG 3.46Å; K657-L661 PolarHBondContact O-N 2.9Å |
| 658 | L | 74.1 | Confident | 73.3 | Confident | 61 Ų | 61 | 88.3 Ų | 88.3 | 32% | 0.319 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -52.2 | 175 | -92.9 | 170.9 | 0 | 0 | 0 | 112.4 | Y654 N655 N656 A660 L661 E662 | Y654-L658 HydrophobicContact CD1-CD1 3.92Å; Y654-L658 HydrophobicContact CE1-CD1 3.42Å; Y654-L658 VanDerWaalsContact CE1-CD1 3.42Å; Y654-L658 HydrophobicContact CE1-CG 4.2Å; Y654-L658 PolarHBondContact O-N 3.28Å; N655-L658 WeakPolarHBondContact O-CB 3.44Å; N655-L658 PolarHBondContact O-N 2.95Å; N656-L658 VanDerWaalsContact C-N 3.32Å; N656-L658 PolarHBondContact O-N 3.21Å; L658-A660 VanDerWaalsContact C-N 3.26Å; L658-A660 PolarHBondContact O-N 2.92Å; L658-L661 WeakPolarHBondContact O-CB 3.34Å; L658-L661 PolarHBondContact O-N 2.71Å; L658-E662 PolarHBondContact O-N 3.09Å; L658-E662 VanDerWaalsContact O-N 3.14Å |
| 659 | A | 77.1 | Confident | 74 | Confident | 64 Ų | 64 | 87.9 Ų | 87.9 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.1 | -37.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N655 E662 G663 | N655-A659 PolarHBondContact O-N 2.8Å; A659-E662 PolarHBondContact O-N 3.29Å; A659-G663 PolarHBondContact O-N 3.1Å; A659-G663 VanDerWaalsContact O-N 3.13Å |
| 660 | A | 74.4 | Confident | 74.7 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N656 L658 L664 | N656-A660 PolarHBondContact O-N 3.01Å; L658-A660 VanDerWaalsContact C-N 3.26Å; L658-A660 PolarHBondContact O-N 2.92Å; A660-L664 PolarHBondContact O-N 2.85Å; A660-L664 VanDerWaalsContact O-N 3.08Å |
| 661 | L | 74.3 | Confident | 75.2 | Confident | 53 Ų | 53 | 90.3 Ų | 90.3 | 28% | 0.277 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 177.3 | -75.1 | 167.7 | 0 | 0 | 0 | 112.7 | L620 K657 L658 K665 | L620-L661 HydrophobicContact CD1-CD2 3.64Å; L620-L661 HydrophobicContact CG-CD2 4.01Å; K657-L661 WeakPolarHBondContact O-CG 3.46Å; K657-L661 PolarHBondContact O-N 2.9Å; L658-L661 WeakPolarHBondContact O-CB 3.34Å; L658-L661 PolarHBondContact O-N 2.71Å; L661-K665 WeakPolarHBondContact O-CG 3.41Å; L661-K665 PolarHBondContact O-N 2.83Å; L661-K665 VanDerWaalsContact O-N 3.12Å |
| 662 | E | 74.9 | Confident | 75.4 | Confident | 140 Ų | 140 | 93.2 Ų | 93.2 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.6 | -40.4 | 175.8 | -67.5 | -174.7 | 152.9 | 0 | 0 | 111.8 | L658 A659 K665 K666 | L658-E662 PolarHBondContact O-N 3.09Å; L658-E662 VanDerWaalsContact O-N 3.14Å; A659-E662 PolarHBondContact O-N 3.29Å; E662-K665 PolarHBondContact O-N 3.28Å; E662-K666 PolarHBondContact O-N 3.22Å; E662-K666 VanDerWaalsContact O-N 3.12Å |
| 663 | G | 77.2 | Confident | 75.6 | Confident | 34 Ų | 34 | 91.9 Ų | 91.9 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A659 K665 K666 N667 | A659-G663 PolarHBondContact O-N 3.1Å; A659-G663 VanDerWaalsContact O-N 3.13Å; G663-K665 VanDerWaalsContact C-N 3.31Å; G663-K665 PolarHBondContact O-N 3.3Å; G663-K666 PolarHBondContact O-N 2.88Å; G663-K666 VanDerWaalsContact O-N 3.17Å; G663-N667 PolarHBondContact O-N 2.86Å; G663-N667 PolarHBondContact O-OD1 2.92Å |
| 664 | L | 77 | Confident | 75.8 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 176.3 | -86.8 | 159.8 | 0 | 0 | 0 | 112.8 | L616 A660 L668 | L616-L664 HydrophobicContact CD1-CD2 4.31Å; A660-L664 PolarHBondContact O-N 2.85Å; A660-L664 VanDerWaalsContact O-N 3.08Å; L664-L668 PolarHBondContact O-N 2.89Å |
| 665 | K | 72.8 | Confident | 75.7 | Confident | 151 Ų | 151 | 89.3 Ų | 89.3 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.6 | -38.1 | 175.8 | -81.4 | -174.5 | 174.7 | -173.6 | 0 | 113.3 | L661 E662 G663 V669 | L661-K665 WeakPolarHBondContact O-CG 3.41Å; L661-K665 PolarHBondContact O-N 2.83Å; L661-K665 VanDerWaalsContact O-N 3.12Å; E662-K665 PolarHBondContact O-N 3.28Å; G663-K665 VanDerWaalsContact C-N 3.31Å; G663-K665 PolarHBondContact O-N 3.3Å; K665-V669 PolarHBondContact O-N 2.79Å |
| 666 | K | 79.6 | Confident | 75.7 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 178.6 | -173.8 | 176.2 | 176.2 | -67.1 | 0 | 111.2 | E662 G663 L668 V669 E670 | E662-K666 PolarHBondContact O-N 3.22Å; E662-K666 VanDerWaalsContact O-N 3.12Å; G663-K666 PolarHBondContact O-N 2.88Å; G663-K666 VanDerWaalsContact O-N 3.17Å; K666-L668 VanDerWaalsContact C-N 3.29Å; K666-L668 PolarHBondContact O-N 2.93Å; K666-V669 PolarHBondContact O-N 2.82Å; K666-V669 VanDerWaalsContact O-N 3.16Å; K666-E670 VanDerWaalsContact NZ-CD 3.35Å; K666-E670 IonicContact NZ-OE1 2.72Å; K666-E670 PolarHBondContact NZ-OE1 3Å; K666-E670 IonicContact NZ-OE2 3.82Å; K666-E670 PolarHBondContact NZ-OE2 3.39Å; K666-E670 PolarHBondContact O-N 2.59Å |
| 667 | N | 76.6 | Confident | 75.8 | Confident | 88 Ų | 88 | 90.9 Ų | 90.9 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | -179 | -63.7 | 10.3 | 0 | 0 | 0 | 112.2 | G663 V669 E670 I671 | G663-N667 PolarHBondContact O-N 2.86Å; G663-N667 PolarHBondContact O-OD1 2.92Å; N667-V669 VanDerWaalsContact C-N 3.33Å; N667-V669 PolarHBondContact O-N 3.09Å; N667-E670 PolarHBondContact O-N 2.98Å; N667-I671 WeakPolarHBondContact O-CG1 3.49Å; N667-I671 PolarHBondContact O-N 3.5Å; N667-I671 VanDerWaalsContact O-N 3.07Å |
| 668 | L | 77.1 | Confident | 75.8 | Confident | 87 Ų | 87 | 91.8 Ų | 91.8 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 177.9 | -167.4 | 73.1 | 0 | 0 | 0 | 112.8 | L664 K666 N672 | L664-L668 PolarHBondContact O-N 2.89Å; K666-L668 VanDerWaalsContact C-N 3.29Å; K666-L668 PolarHBondContact O-N 2.93Å; L668-N672 PolarHBondContact O-N 3.02Å |
| 669 | V | 77.6 | Confident | 75.6 | Confident | 103 Ų | 103 | 95.3 Ų | 95.3 | 62% | 0.624 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70 | -39.7 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | K665 K666 N667 N672 A673 | K665-V669 PolarHBondContact O-N 2.79Å; K666-V669 PolarHBondContact O-N 2.82Å; K666-V669 VanDerWaalsContact O-N 3.16Å; N667-V669 VanDerWaalsContact C-N 3.33Å; N667-V669 PolarHBondContact O-N 3.09Å; V669-N672 PolarHBondContact O-N 2.69Å; V669-A673 PolarHBondContact O-N 3.16Å |
| 670 | E | 78.4 | Confident | 75.6 | Confident | 96 Ų | 96 | 98.1 Ų | 98.1 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 179 | -70.7 | 171.6 | 171.2 | 0 | 0 | 111.4 | K666 N667 N672 A673 E674 | K666-E670 VanDerWaalsContact NZ-CD 3.35Å; K666-E670 IonicContact NZ-OE1 2.72Å; K666-E670 PolarHBondContact NZ-OE1 3Å; K666-E670 IonicContact NZ-OE2 3.82Å; K666-E670 PolarHBondContact NZ-OE2 3.39Å; K666-E670 PolarHBondContact O-N 2.59Å; N667-E670 PolarHBondContact O-N 2.98Å; E670-N672 PolarHBondContact O-N 2.84Å; E670-A673 PolarHBondContact O-N 3.38Å; E670-E674 PolarHBondContact O-N 2.82Å |
| 671 | I | 75.3 | Confident | 75.7 | Confident | 100 Ų | 100 | 102.8 Ų | 102.8 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.9 | -68.1 | 167.8 | 0 | 0 | 0 | 111.8 | N667 A673 E674 V675 | N667-I671 WeakPolarHBondContact O-CG1 3.49Å; N667-I671 PolarHBondContact O-N 3.5Å; N667-I671 VanDerWaalsContact O-N 3.07Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 2.91Å; I671-E674 PolarHBondContact O-N 3.43Å; I671-V675 PolarHBondContact O-N 3.38Å |
| 672 | N | 72.7 | Confident | 75.2 | Confident | 106 Ų | 106 | 104.3 Ų | 104.3 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -35.4 | 178 | -84.9 | -3.6 | 0 | 0 | 0 | 112.7 | L668 V669 E670 V675 E676 | L668-N672 PolarHBondContact O-N 3.02Å; V669-N672 PolarHBondContact O-N 2.69Å; E670-N672 PolarHBondContact O-N 2.84Å; N672-V675 PolarHBondContact O-N 3.25Å; N672-E676 PolarHBondContact O-N 3.37Å |
| 673 | A | 78.6 | Confident | 75.1 | Confident | 62 Ų | 62 | 100.5 Ų | 100.5 | 51% | 0.512 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V669 E670 I671 V675 E676 E677 | V669-A673 PolarHBondContact O-N 3.16Å; E670-A673 PolarHBondContact O-N 3.38Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 2.91Å; A673-V675 VanDerWaalsContact C-N 3.34Å; A673-V675 PolarHBondContact O-N 3.39Å; A673-E676 PolarHBondContact O-N 2.88Å; A673-E677 PolarHBondContact O-N 3.08Å |
| 674 | E | 75.8 | Confident | 75 | Confident | 110 Ų | 110 | 101.9 Ų | 101.9 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 175.3 | -77.9 | -163.9 | -151.1 | 0 | 0 | 113.4 | E670 I671 E677 K678 | E670-E674 PolarHBondContact O-N 2.82Å; I671-E674 PolarHBondContact O-N 3.43Å; E674-E677 PolarHBondContact O-N 3.16Å; E674-K678 WeakPolarHBondContact O-CD 3.27Å; E674-K678 VanDerWaalsContact O-CG 3.29Å; E674-K678 WeakPolarHBondContact O-CG 3.26Å; E674-K678 PolarHBondContact O-N 3.28Å; E674-K678 VanDerWaalsContact O-N 3.13Å; E674-K678 IonicContact OE2-NZ 3.58Å; E674-K678 PolarHBondContact OE2-NZ 3.13Å |
| 675 | V | 71.8 | Confident | 74.7 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 44% | 0.442 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | I671 N672 A673 E677 K678 E679 | I671-V675 PolarHBondContact O-N 3.38Å; N672-V675 PolarHBondContact O-N 3.25Å; A673-V675 VanDerWaalsContact C-N 3.34Å; A673-V675 PolarHBondContact O-N 3.39Å; V675-E677 VanDerWaalsContact C-N 3.31Å; V675-E677 PolarHBondContact O-N 2.95Å; V675-K678 PolarHBondContact O-N 2.95Å; V675-E679 PolarHBondContact O-N 3.04Å |
| 676 | E | 74.3 | Confident | 74.6 | Confident | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 178.5 | -113.6 | -161.6 | -138.4 | 0 | 0 | 113.3 | N672 A673 K680 | N672-E676 PolarHBondContact O-N 3.37Å; A673-E676 PolarHBondContact O-N 2.88Å; E676-K680 WeakPolarHBondContact O-CD 3.29Å; E676-K680 VanDerWaalsContact O-CE 3.31Å; E676-K680 WeakPolarHBondContact O-CE 3.48Å; E676-K680 VanDerWaalsContact O-CG 3.25Å; E676-K680 WeakPolarHBondContact O-CG 3.37Å; E676-K680 PolarHBondContact O-N 2.83Å; E676-K680 IonicContact OE2-NZ 3.58Å; E676-K680 PolarHBondContact OE2-NZ 2.97Å |
| 677 | E | 77.8 | Confident | 74.3 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.3 | -39.7 | 175.2 | -168.7 | -179.9 | 151.3 | 0 | 0 | 112 | A673 E674 V675 K680 R681 | A673-E677 PolarHBondContact O-N 3.08Å; E674-E677 PolarHBondContact O-N 3.16Å; V675-E677 VanDerWaalsContact C-N 3.31Å; V675-E677 PolarHBondContact O-N 2.95Å; E677-K680 PolarHBondContact O-N 3.08Å; E677-R681 PolarHBondContact O-N 2.86Å; E677-R681 VanDerWaalsContact O-N 3.12Å; E677-R681 IonicContact OE1-CZ 3.89Å; E677-R681 IonicContact OE1-NH1 3.13Å; E677-R681 PolarHBondContact OE1-NH1 2.76Å; E677-R681 IonicContact OE1-NH2 2.68Å |
| 678 | K | 74.8 | Confident | 74.2 | Confident | 118 Ų | 118 | 102.3 Ų | 102.3 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 179.9 | -72.3 | 164.8 | -170.6 | 165.4 | 0 | 111.6 | E674 V675 R681 C682 | E674-K678 WeakPolarHBondContact O-CD 3.27Å; E674-K678 VanDerWaalsContact O-CG 3.29Å; E674-K678 WeakPolarHBondContact O-CG 3.26Å; E674-K678 PolarHBondContact O-N 3.28Å; E674-K678 VanDerWaalsContact O-N 3.13Å; E674-K678 IonicContact OE2-NZ 3.58Å; E674-K678 PolarHBondContact OE2-NZ 3.13Å; V675-K678 PolarHBondContact O-N 2.95Å; K678-R681 PolarHBondContact O-N 3.46Å; K678-C682 PolarHBondContact O-N 3.16Å; K678-C682 VanDerWaalsContact O-N 3.14Å |
| 679 | E | 70.3 | Confident | 73.9 | Confident | 134 Ų | 134 | 106 Ų | 106 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 173.8 | -70.8 | -169.7 | 154.2 | 0 | 0 | 112.6 | V675 R681 C682 A683 | V675-E679 PolarHBondContact O-N 3.04Å; E679-R681 VanDerWaalsContact C-N 3.34Å; E679-R681 PolarHBondContact O-N 3.23Å; E679-C682 PolarHBondContact O-N 3.21Å; E679-A683 PolarHBondContact O-N 2.7Å |
| 680 | K | 76.5 | Confident | 73.3 | Confident | 124 Ų | 124 | 106.3 Ų | 106.3 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 178.1 | -68.9 | 162.1 | -163.5 | 161 | 0 | 112.1 | E676 E677 A683 A684 | E676-K680 WeakPolarHBondContact O-CD 3.29Å; E676-K680 VanDerWaalsContact O-CE 3.31Å; E676-K680 WeakPolarHBondContact O-CE 3.48Å; E676-K680 VanDerWaalsContact O-CG 3.25Å; E676-K680 WeakPolarHBondContact O-CG 3.37Å; E676-K680 PolarHBondContact O-N 2.83Å; E676-K680 IonicContact OE2-NZ 3.58Å; E676-K680 PolarHBondContact OE2-NZ 2.97Å; E677-K680 PolarHBondContact O-N 3.08Å; K680-A683 PolarHBondContact O-N 2.77Å; K680-A684 PolarHBondContact O-N 3.27Å |
| 681 | R | 76.9 | Confident | 73.1 | Confident | 155 Ų | 155 | 105.6 Ų | 105.6 | 59% | 0.585 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 172 | -97.5 | -168.6 | 179.8 | 83.4 | -2.2 | 112.8 | E677 K678 E679 A683 A684 L685 | E677-R681 PolarHBondContact O-N 2.86Å; E677-R681 VanDerWaalsContact O-N 3.12Å; E677-R681 IonicContact OE1-CZ 3.89Å; E677-R681 IonicContact OE1-NH1 3.13Å; E677-R681 PolarHBondContact OE1-NH1 2.76Å; E677-R681 IonicContact OE1-NH2 2.68Å; K678-R681 PolarHBondContact O-N 3.46Å; E679-R681 VanDerWaalsContact C-N 3.34Å; E679-R681 PolarHBondContact O-N 3.23Å; R681-A683 VanDerWaalsContact C-N 3.29Å; R681-A683 PolarHBondContact O-N 3.11Å; R681-A684 PolarHBondContact O-N 2.78Å; R681-L685 PolarHBondContact O-N 3.15Å; R681-L685 VanDerWaalsContact O-N 3.16Å |
| 682 | C | 63.4 | Low | 72.9 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -33.8 | 178.2 | -73.5 | 0 | 0 | 0 | 0 | 112.9 | K678 E679 K686 | K678-C682 PolarHBondContact O-N 3.16Å; K678-C682 VanDerWaalsContact O-N 3.14Å; E679-C682 PolarHBondContact O-N 3.21Å; C682-K686 PolarHBondContact O-N 2.93Å |
| 683 | A | 72.6 | Confident | 72.8 | Confident | 60 Ų | 60 | 108.3 Ų | 108.3 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E679 K680 R681 K686 | E679-A683 PolarHBondContact O-N 2.7Å; K680-A683 PolarHBondContact O-N 2.77Å; R681-A683 VanDerWaalsContact C-N 3.29Å; R681-A683 PolarHBondContact O-N 3.11Å; A683-K686 PolarHBondContact O-N 3.12Å |
| 684 | A | 75 | Confident | 72.4 | Confident | 63 Ų | 63 | 111.3 Ų | 111.3 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K680 R681 K686 V687 E688 | K680-A684 PolarHBondContact O-N 3.27Å; R681-A684 PolarHBondContact O-N 2.78Å; A684-K686 PolarHBondContact O-N 2.91Å; A684-V687 PolarHBondContact O-N 3.04Å; A684-V687 VanDerWaalsContact O-N 3.12Å; A684-E688 PolarHBondContact O-N 2.81Å |
| 685 | L | 70.9 | Confident | 72.2 | Confident | 105 Ų | 105 | 112.1 Ų | 112.1 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -28.4 | 179.6 | -78.6 | 165.3 | 0 | 0 | 0 | 113.5 | R681 Y689 | R681-L685 PolarHBondContact O-N 3.15Å; R681-L685 VanDerWaalsContact O-N 3.16Å; L685-Y689 WeakPolarHBondContact O-CB 3.23Å; L685-Y689 PolarHBondContact O-N 3.35Å |
| 686 | K | 69.9 | Low | 72.1 | Confident | 149 Ų | 149 | 111.2 Ų | 111.2 | 65% | 0.648 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | 173.1 | -91 | -170.5 | 170.4 | -172.8 | 0 | 112.4 | C682 A683 A684 E688 Y689 E690 | C682-K686 PolarHBondContact O-N 2.93Å; A683-K686 PolarHBondContact O-N 3.12Å; A684-K686 PolarHBondContact O-N 2.91Å; K686-E688 VanDerWaalsContact C-N 3.32Å; K686-Y689 PolarHBondContact O-N 2.92Å; K686-E690 WeakPolarHBondContact O-CG 3.36Å; K686-E690 PolarHBondContact O-N 2.83Å |
| 687 | V | 75.2 | Confident | 71.7 | Confident | 81 Ų | 81 | 111.3 Ų | 111.3 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | A684 E690 N691 | A684-V687 PolarHBondContact O-N 3.04Å; A684-V687 VanDerWaalsContact O-N 3.12Å; V687-E690 PolarHBondContact O-N 3.35Å; V687-N691 WeakPolarHBondContact O-CB 3.37Å; V687-N691 VanDerWaalsContact O-CG 3.22Å; V687-N691 PolarHBondContact O-N 3.06Å; V687-N691 PolarHBondContact O-ND2 3.2Å |
| 688 | E | 73.2 | Confident | 71.4 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 174 | -171.1 | 170.2 | -160.5 | 0 | 0 | 111.8 | A684 K686 N691 L692 | A684-E688 PolarHBondContact O-N 2.81Å; K686-E688 VanDerWaalsContact C-N 3.32Å; E688-N691 PolarHBondContact O-N 2.77Å; E688-L692 HydrophobicContact CG-CD1 4Å; E688-L692 VanDerWaalsContact O-CD1 3.23Å; E688-L692 WeakPolarHBondContact O-CD1 3.39Å; E688-L692 PolarHBondContact O-N 3.23Å |
| 689 | Y | 70.6 | Confident | 71.1 | Confident | 165 Ų | 165 | 110.1 Ų | 110.1 | 65% | 0.647 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 175.1 | 179.5 | -97.7 | 0 | 0 | 0 | 113.3 | L685 K686 N691 L692 R693 | L685-Y689 WeakPolarHBondContact O-CB 3.23Å; L685-Y689 PolarHBondContact O-N 3.35Å; K686-Y689 PolarHBondContact O-N 2.92Å; Y689-N691 VanDerWaalsContact C-N 3.34Å; Y689-L692 PolarHBondContact O-N 2.65Å; Y689-R693 VanDerWaalsContact O-CB 3.32Å; Y689-R693 WeakPolarHBondContact O-CB 3.29Å; Y689-R693 PolarHBondContact O-N 3.48Å |
| 690 | E | 65.5 | Low | 70.9 | Confident | 109 Ų | 109 | 110.8 Ų | 110.8 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 178 | -73.5 | 174 | 165.3 | 0 | 0 | 112.2 | K686 V687 Q694 | K686-E690 WeakPolarHBondContact O-CG 3.36Å; K686-E690 PolarHBondContact O-N 2.83Å; V687-E690 PolarHBondContact O-N 3.35Å; E690-Q694 WeakPolarHBondContact O-CG 3.36Å; E690-Q694 PolarHBondContact O-N 3.26Å |
| 691 | N | 73.9 | Confident | 70.4 | Confident | 80 Ų | 80 | 111.2 Ų | 111.2 | 43% | 0.428 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.4 | -51.1 | 169.9 | -71.3 | -13.4 | 0 | 0 | 0 | 111.5 | V687 E688 Y689 R693 Q694 E695 | V687-N691 WeakPolarHBondContact O-CB 3.37Å; V687-N691 VanDerWaalsContact O-CG 3.22Å; V687-N691 PolarHBondContact O-N 3.06Å; V687-N691 PolarHBondContact O-ND2 3.2Å; E688-N691 PolarHBondContact O-N 2.77Å; Y689-N691 VanDerWaalsContact C-N 3.34Å; N691-R693 PolarHBondContact O-N 3.03Å; N691-Q694 WeakPolarHBondContact O-CA 3.27Å; N691-Q694 PolarHBondContact O-N 3.29Å; N691-E695 PolarHBondContact O-N 2.77Å |
| 692 | L | 70.6 | Confident | 70 | Confident | 98 Ų | 98 | 109.3 Ų | 109.3 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.6 | -33.6 | 176 | -96.2 | 82.2 | 0 | 0 | 0 | 112.1 | E688 Y689 A696 | E688-L692 HydrophobicContact CG-CD1 4Å; E688-L692 VanDerWaalsContact O-CD1 3.23Å; E688-L692 WeakPolarHBondContact O-CD1 3.39Å; E688-L692 PolarHBondContact O-N 3.23Å; Y689-L692 PolarHBondContact O-N 2.65Å; L692-A696 VanDerWaalsContact O-CB 3.23Å; L692-A696 WeakPolarHBondContact O-CB 3.29Å; L692-A696 PolarHBondContact O-N 3.14Å |
| 693 | R | 72.1 | Confident | 69.8 | Low | 165 Ų | 165 | 109.1 Ų | 109.1 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.2 | -38.2 | 174.9 | -175 | 179.4 | 175.8 | -151 | -3.4 | 112.3 | Y689 N691 Q697 | Y689-R693 VanDerWaalsContact O-CB 3.32Å; Y689-R693 WeakPolarHBondContact O-CB 3.29Å; Y689-R693 PolarHBondContact O-N 3.48Å; N691-R693 PolarHBondContact O-N 3.03Å; R693-Q697 VanDerWaalsContact O-CB 3.31Å; R693-Q697 WeakPolarHBondContact O-CB 3.44Å; R693-Q697 PolarHBondContact O-N 3.22Å |
| 694 | Q | 69.1 | Low | 69 | Low | 125 Ų | 125 | 110.8 Ų | 110.8 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -44.2 | 173.3 | -73.5 | 177.2 | 60.1 | 0 | 0 | 111.2 | E690 N691 A696 Q697 V698 | E690-Q694 WeakPolarHBondContact O-CG 3.36Å; E690-Q694 PolarHBondContact O-N 3.26Å; N691-Q694 WeakPolarHBondContact O-CA 3.27Å; N691-Q694 PolarHBondContact O-N 3.29Å; Q694-A696 PolarHBondContact O-N 3.31Å; Q694-Q697 PolarHBondContact O-N 3.13Å; Q694-V698 WeakPolarHBondContact O-CG2 3.35Å; Q694-V698 PolarHBondContact O-N 3.12Å |
| 695 | E | 72.4 | Confident | 68.4 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.7 | -47.1 | 173.9 | -70.7 | -178.4 | 175 | 0 | 0 | 111.4 | N691 Q697 V698 E699 | N691-E695 PolarHBondContact O-N 2.77Å; E695-Q697 VanDerWaalsContact C-N 3.33Å; E695-Q697 PolarHBondContact O-N 2.91Å; E695-V698 CarbonylContact O-C 3.47Å; E695-V698 PolarHBondContact O-N 2.99Å; E695-E699 PolarHBondContact O-N 3.14Å |
| 696 | A | 68.8 | Low | 68.1 | Low | 55 Ų | 55 | 107.3 Ų | 107.3 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -31.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L692 Q694 W700 | L692-A696 VanDerWaalsContact O-CB 3.23Å; L692-A696 WeakPolarHBondContact O-CB 3.29Å; L692-A696 PolarHBondContact O-N 3.14Å; Q694-A696 PolarHBondContact O-N 3.31Å; A696-W700 VanDerWaalsContact O-CB 3.29Å; A696-W700 WeakPolarHBondContact O-CB 3.4Å; A696-W700 PolarHBondContact O-N 3.23Å |
| 697 | Q | 65.5 | Low | 67.5 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74 | -32.8 | 174.8 | -173.7 | 171.4 | -24.8 | 0 | 0 | 111.9 | R693 Q694 E695 F701 | R693-Q697 VanDerWaalsContact O-CB 3.31Å; R693-Q697 WeakPolarHBondContact O-CB 3.44Å; R693-Q697 PolarHBondContact O-N 3.22Å; Q694-Q697 PolarHBondContact O-N 3.13Å; E695-Q697 VanDerWaalsContact C-N 3.33Å; E695-Q697 PolarHBondContact O-N 2.91Å; Q697-F701 PolarHBondContact O-N 2.77Å; Q697-F701 VanDerWaalsContact O-N 3.1Å |
| 698 | V | 72.3 | Confident | 66.8 | Low | 79 Ų | 79 | 103.1 Ų | 103.1 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.3 | -49.6 | 169.2 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | Q694 E695 W700 F701 E702 | Q694-V698 WeakPolarHBondContact O-CG2 3.35Å; Q694-V698 PolarHBondContact O-N 3.12Å; E695-V698 CarbonylContact O-C 3.47Å; E695-V698 PolarHBondContact O-N 2.99Å; V698-W700 PolarHBondContact O-N 3.45Å; V698-F701 CarbonylContact O-C 3.48Å; V698-F701 PolarHBondContact O-N 2.9Å; V698-E702 HydrophobicContact CG1-CG 4.16Å; V698-E702 WeakPolarHBondContact O-CB 3.44Å; V698-E702 WeakPolarHBondContact O-CG 3.21Å; V698-E702 PolarHBondContact O-N 3Å |
| 699 | E | 68.4 | Low | 66.2 | Low | 125 Ų | 125 | 99 Ų | 99 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.7 | -32.8 | 173.9 | -83.3 | -159.3 | 138 | 0 | 0 | 112.1 | E695 N703 | E695-E699 PolarHBondContact O-N 3.14Å; E699-N703 WeakPolarHBondContact O-CB 3.31Å; E699-N703 PolarHBondContact O-N 3.01Å; E699-N703 PolarHBondContact O-ND2 3.44Å |
| 700 | W | 65.4 | Low | 65.3 | Low | 148 Ų | 148 | 93.6 Ų | 93.6 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.3 | -41.5 | 174.5 | -174.3 | 90.8 | 0 | 0 | 0 | 112.2 | A696 V698 N703 Q704 | A696-W700 VanDerWaalsContact O-CB 3.29Å; A696-W700 WeakPolarHBondContact O-CB 3.4Å; A696-W700 PolarHBondContact O-N 3.23Å; V698-W700 PolarHBondContact O-N 3.45Å; W700-N703 PolarHBondContact O-N 2.95Å; W700-Q704 HydrophobicContact CD2-CG 4.18Å; W700-Q704 HydrophobicContact CE3-CG 4.01Å; W700-Q704 HydrophobicContact CH2-CG 3.91Å; W700-Q704 HydrophobicContact CZ2-CG 4.08Å; W700-Q704 HydrophobicContact CZ3-CG 3.87Å; W700-Q704 WeakPolarHBondContact O-CG 3.13Å; W700-Q704 PolarHBondContact O-N 2.79Å |
| 701 | F | 67.5 | Low | 64.5 | Low | 133 Ų | 133 | 96.6 Ų | 96.6 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 173.5 | -111.3 | -82.1 | 0 | 0 | 0 | 112 | Q697 V698 N703 Q704 E705 | Q697-F701 PolarHBondContact O-N 2.77Å; Q697-F701 VanDerWaalsContact O-N 3.1Å; V698-F701 CarbonylContact O-C 3.48Å; V698-F701 PolarHBondContact O-N 2.9Å; F701-N703 VanDerWaalsContact C-N 3.32Å; F701-N703 PolarHBondContact O-N 3.26Å; F701-Q704 WeakPolarHBondContact O-CB 3.31Å; F701-Q704 PolarHBondContact O-N 2.73Å; F701-E705 WeakPolarHBondContact O-CB 3.31Å; F701-E705 PolarHBondContact O-N 3.47Å |
| 702 | E | 68 | Low | 63 | Low | 114 Ų | 114 | 96.3 Ų | 96.3 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 173.1 | -71.8 | -170.4 | 175.3 | 0 | 0 | 111.8 | V698 L706 | V698-E702 HydrophobicContact CG1-CG 4.16Å; V698-E702 WeakPolarHBondContact O-CB 3.44Å; V698-E702 WeakPolarHBondContact O-CG 3.21Å; V698-E702 PolarHBondContact O-N 3Å; E702-L706 WeakPolarHBondContact O-CB 3.29Å; E702-L706 WeakPolarHBondContact O-CD1 3.44Å; E702-L706 VanDerWaalsContact O-CG 3.31Å; E702-L706 WeakPolarHBondContact O-CG 3.25Å; E702-L706 PolarHBondContact O-N 2.74Å |
| 703 | N | 59.7 | Low | 61.5 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.7 | -38.3 | 171.5 | -87.6 | -77.6 | 0 | 0 | 0 | 112.5 | E699 W700 F701 E705 L706 I707 | E699-N703 WeakPolarHBondContact O-CB 3.31Å; E699-N703 PolarHBondContact O-N 3.01Å; E699-N703 PolarHBondContact O-ND2 3.44Å; W700-N703 PolarHBondContact O-N 2.95Å; F701-N703 VanDerWaalsContact C-N 3.32Å; F701-N703 PolarHBondContact O-N 3.26Å; N703-E705 VanDerWaalsContact C-N 3.3Å; N703-E705 PolarHBondContact O-N 3.38Å; N703-L706 PolarHBondContact O-N 3.12Å; N703-I707 VanDerWaalsContact O-CB 3.28Å; N703-I707 WeakPolarHBondContact O-CB 3.36Å; N703-I707 WeakPolarHBondContact O-CD1 3.29Å; N703-I707 WeakPolarHBondContact O-CG1 3.15Å; N703-I707 PolarHBondContact O-N 3.48Å |
| 704 | Q | 56.2 | Low | 59.7 | Low | 95 Ų | 95 | 96.5 Ų | 96.5 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 168.9 | -76.6 | -78.5 | -3.1 | 0 | 0 | 110.5 | W700 F701 I707 R708 | W700-Q704 HydrophobicContact CD2-CG 4.18Å; W700-Q704 HydrophobicContact CE3-CG 4.01Å; W700-Q704 HydrophobicContact CH2-CG 3.91Å; W700-Q704 HydrophobicContact CZ2-CG 4.08Å; W700-Q704 HydrophobicContact CZ3-CG 3.87Å; W700-Q704 WeakPolarHBondContact O-CG 3.13Å; W700-Q704 PolarHBondContact O-N 2.79Å; F701-Q704 WeakPolarHBondContact O-CB 3.31Å; F701-Q704 PolarHBondContact O-N 2.73Å; Q704-I707 PolarHBondContact O-N 3.24Å; Q704-R708 VanDerWaalsContact O-CB 3.3Å; Q704-R708 WeakPolarHBondContact O-CB 3.42Å; Q704-R708 PolarHBondContact O-N 3.38Å |
| 705 | E | 61.9 | Low | 58.1 | Low | 54 Ų | 54 | 94.3 Ų | 94.3 | 25% | 0.252 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.4 | -178.4 | 56.3 | -155 | 0 | 0 | 112 | F701 N703 R708 Q709 | F701-E705 WeakPolarHBondContact O-CB 3.31Å; F701-E705 PolarHBondContact O-N 3.47Å; N703-E705 VanDerWaalsContact C-N 3.3Å; N703-E705 PolarHBondContact O-N 3.38Å; E705-R708 CarbonylContact O-C 3.58Å; E705-R708 WeakPolarHBondContact O-CB 3.46Å; E705-R708 PolarHBondContact O-N 2.95Å; E705-R708 IonicContact OE1-CZ 3.69Å; E705-R708 VanDerWaalsContact OE1-CZ 3.29Å; E705-R708 IonicContact OE1-NE 3.44Å; E705-R708 PolarHBondContact OE1-NE 3.04Å; E705-R708 IonicContact OE1-NH2 3.23Å; E705-R708 PolarHBondContact OE1-NH2 3.42Å; E705-R708 IonicContact OE2-CZ 2.99Å; E705-R708 IonicContact OE2-NE 3Å; E705-R708 PolarHBondContact OE2-NE 2.72Å; E705-R708 IonicContact OE2-NH2 3.94Å; E705-R708 PolarHBondContact OE2-NH2 3.18Å; E705-Q709 WeakPolarHBondContact O-CB 3.38Å; E705-Q709 WeakPolarHBondContact O-CG 3.25Å; E705-Q709 PolarHBondContact O-N 3.47Å; E705-Q709 WeakPolarHBondContact OE1-CG 3.39Å; E705-Q709 PolarHBondContact OE1-NE2 2.98Å |
| 706 | L | 63 | Low | 56.1 | Low | 40 Ų | 40 | 92.1 Ų | 92.1 | 21% | 0.209 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 171.3 | -90 | 159.4 | 0 | 0 | 0 | 112.2 | E702 N703 R708 A710 E946 | E702-L706 WeakPolarHBondContact O-CB 3.29Å; E702-L706 WeakPolarHBondContact O-CD1 3.44Å; E702-L706 VanDerWaalsContact O-CG 3.31Å; E702-L706 WeakPolarHBondContact O-CG 3.25Å; E702-L706 PolarHBondContact O-N 2.74Å; N703-L706 PolarHBondContact O-N 3.12Å; L706-R708 VanDerWaalsContact C-N 3.32Å; L706-A710 WeakPolarHBondContact O-CB 3.39Å; L706-A710 PolarHBondContact O-N 2.98Å; L706-E946 HydrophobicContact CD2-CB 3.59Å; L706-E946 HydrophobicContact CD2-CG 3.55Å; L706-E946 HydrophobicContact CG-CB 4.48Å; L706-E946 HydrophobicContact CG-CG 3.94Å |
| 707 | I | 58.6 | Low | 54.4 | Low | 85 Ų | 85 | 92.8 Ų | 92.8 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 173.9 | -72.8 | 163.9 | 0 | 0 | 0 | 109.9 | N703 Q704 K711 | N703-I707 VanDerWaalsContact O-CB 3.28Å; N703-I707 WeakPolarHBondContact O-CB 3.36Å; N703-I707 WeakPolarHBondContact O-CD1 3.29Å; N703-I707 WeakPolarHBondContact O-CG1 3.15Å; N703-I707 PolarHBondContact O-N 3.48Å; Q704-I707 PolarHBondContact O-N 3.24Å; I707-K711 HydrophobicContact CG2-CD 4.1Å; I707-K711 VanDerWaalsContact O-CB 3.24Å; I707-K711 WeakPolarHBondContact O-CB 3.37Å; I707-K711 WeakPolarHBondContact O-CG 3.28Å; I707-K711 PolarHBondContact O-N 2.94Å |
| 708 | R | 60.1 | Low | 52.9 | Low | 58 Ų | 58 | 91.3 Ų | 91.3 | 22% | 0.219 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 176 | -164.3 | -162.7 | 65 | 65.2 | -16.8 | 112.3 | Q704 E705 L706 K711 S712 D1548 S1550 T1551 | Q704-R708 VanDerWaalsContact O-CB 3.3Å; Q704-R708 WeakPolarHBondContact O-CB 3.42Å; Q704-R708 PolarHBondContact O-N 3.38Å; E705-R708 CarbonylContact O-C 3.58Å; E705-R708 WeakPolarHBondContact O-CB 3.46Å; E705-R708 PolarHBondContact O-N 2.95Å; E705-R708 IonicContact OE1-CZ 3.69Å; E705-R708 VanDerWaalsContact OE1-CZ 3.29Å; E705-R708 IonicContact OE1-NE 3.44Å; E705-R708 PolarHBondContact OE1-NE 3.04Å; E705-R708 IonicContact OE1-NH2 3.23Å; E705-R708 PolarHBondContact OE1-NH2 3.42Å; E705-R708 IonicContact OE2-CZ 2.99Å; E705-R708 IonicContact OE2-NE 3Å; E705-R708 PolarHBondContact OE2-NE 2.72Å; E705-R708 IonicContact OE2-NH2 3.94Å; E705-R708 PolarHBondContact OE2-NH2 3.18Å; L706-R708 VanDerWaalsContact C-N 3.32Å; R708-K711 CarbonylContact O-C 3.54Å; R708-S712 WeakPolarHBondContact O-CB 3.5Å; R708-S712 PolarHBondContact O-N 2.92Å; R708-S712 VanDerWaalsContact O-N 3.17Å; R708-S712 PolarHBondContact O-OG 3.46Å; R708-D1548 WeakPolarHBondContact CD-OD2 3.49Å; R708-D1548 IonicContact CZ-OD1 3.18Å; R708-D1548 IonicContact NE-OD1 3.68Å; R708-D1548 IonicContact NE-OD2 3.82Å; R708-D1548 PolarHBondContact NE-OD2 3.1Å; R708-D1548 IonicContact NH2-OD1 2.63Å; R708-S1550 VanDerWaalsContact CD-OG 3.23Å; R708-S1550 WeakPolarHBondContact CD-OG 3.46Å; R708-S1550 PolarHBondContact NE-OG 3.15Å; R708-S1550 PolarHBondContact NH1-OG 2.99Å; R708-T1551 HydrophobicContact CG-CG2 4.19Å |
| 709 | Q | 60 | Low | 50.8 | Low | 27 Ų | 27 | 91.6 Ų | 91.6 | 13% | 0.126 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -77.2 | -37.3 | 176.5 | -71.2 | -159.2 | 54 | 0 | 0 | 111.8 | E705 K711 S712 R713 E946 | E705-Q709 WeakPolarHBondContact O-CB 3.38Å; E705-Q709 WeakPolarHBondContact O-CG 3.25Å; E705-Q709 PolarHBondContact O-N 3.47Å; E705-Q709 WeakPolarHBondContact OE1-CG 3.39Å; E705-Q709 PolarHBondContact OE1-NE2 2.98Å; Q709-K711 VanDerWaalsContact C-N 3.32Å; Q709-K711 PolarHBondContact O-N 3.31Å; Q709-S712 WeakPolarHBondContact CA-OG 3.2Å; Q709-S712 CarbonylContact O-C 3.58Å; Q709-S712 PolarHBondContact O-N 3.41Å; Q709-S712 PolarHBondContact O-OG 2.94Å; Q709-R713 VanDerWaalsContact O-CB 3.23Å; Q709-R713 WeakPolarHBondContact O-CB 3.31Å; Q709-R713 VanDerWaalsContact O-CG 3.29Å; Q709-R713 WeakPolarHBondContact O-CG 3.31Å; Q709-R713 PolarHBondContact O-N 3.19Å; Q709-E946 PolarHBondContact NE2-OE1 3.43Å; Q709-E946 PolarHBondContact OE1-OE2 3.07Å |
| 710 | A | 53.2 | Low | 49 | Very low | 51 Ų | 51 | 92.7 Ų | 92.7 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L706 S712 | L706-A710 WeakPolarHBondContact O-CB 3.39Å; L706-A710 PolarHBondContact O-N 2.98Å; A710-S712 PolarHBondContact O-N 3.31Å |
| 711 | K | 47.7 | Very low | 47.3 | Very low | 172 Ų | 172 | 90.5 Ų | 90.5 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.5 | 172.4 | -74 | 173.5 | 179.4 | 175.8 | 0 | 114.7 | I707 R708 Q709 | I707-K711 HydrophobicContact CG2-CD 4.1Å; I707-K711 VanDerWaalsContact O-CB 3.24Å; I707-K711 WeakPolarHBondContact O-CB 3.37Å; I707-K711 WeakPolarHBondContact O-CG 3.28Å; I707-K711 PolarHBondContact O-N 2.94Å; R708-K711 CarbonylContact O-C 3.54Å; Q709-K711 VanDerWaalsContact C-N 3.32Å; Q709-K711 PolarHBondContact O-N 3.31Å |
| 712 | S | 42.5 | Very low | 45.4 | Very low | 74 Ų | 74 | 90.6 Ų | 90.6 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 4 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 115 | R708 Q709 A710 | R708-S712 WeakPolarHBondContact O-CB 3.5Å; R708-S712 PolarHBondContact O-N 2.92Å; R708-S712 VanDerWaalsContact O-N 3.17Å; R708-S712 PolarHBondContact O-OG 3.46Å; Q709-S712 WeakPolarHBondContact CA-OG 3.2Å; Q709-S712 CarbonylContact O-C 3.58Å; Q709-S712 PolarHBondContact O-N 3.41Å; Q709-S712 PolarHBondContact O-OG 2.94Å; A710-S712 PolarHBondContact O-N 3.31Å |
| 713 | R | 39.5 | Very low | 43.7 | Very low | 150 Ų | 150 | 88.7 Ų | 88.7 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | trans | -124.7 | 53.6 | 177.1 | -62.8 | 179.3 | -175.9 | -116.6 | 14.6 | 111.8 | Q709 P715 | Q709-R713 VanDerWaalsContact O-CB 3.23Å; Q709-R713 WeakPolarHBondContact O-CB 3.31Å; Q709-R713 VanDerWaalsContact O-CG 3.29Å; Q709-R713 WeakPolarHBondContact O-CG 3.31Å; Q709-R713 PolarHBondContact O-N 3.19Å; R713-P715 VanDerWaalsContact C-CD 3.46Å; R713-P715 WeakPolarHBondContact O-CD 3.42Å | ||
| 714 | L | 34.3 | Very low | 42.3 | Very low | 118 Ų | 118 | 89.6 Ų | 89.6 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | trans | -110.2 | 84.7 | 159 | -75.1 | 166.4 | 0 | 0 | 0 | 109.2 | E797 | L714-E797 WeakPolarHBondContact CA-OE1 2.93Å; L714-E797 HydrophobicContact CB-CB 4.15Å; L714-E797 WeakPolarHBondContact CD2-OE1 3.3Å | ||
| 715 | P | 34.7 | Very low | 41.2 | Very low | 78 Ų | 78 | 92 Ų | 92 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | trans | -96.9 | 120.5 | -165.7 | 35.2 | -36.5 | 0 | 0 | 0 | 116.1 | R713 K717 E797 | R713-P715 VanDerWaalsContact C-CD 3.46Å; R713-P715 WeakPolarHBondContact O-CD 3.42Å; P715-K717 PolarHBondContact O-N 2.81Å; P715-E797 VanDerWaalsContact CD-CD 3.47Å; P715-E797 WeakPolarHBondContact CD-OE1 3.46Å; P715-E797 WeakPolarHBondContact CD-OE2 3.41Å | ||
| 716 | P | 30.1 | Very low | 39.8 | Very low | 81 Ų | 81 | 95 Ų | 95 | 53% | 0.526 | 53% | 0.532 | S | S | . | . | trans | -69.2 | 105.4 | 170.4 | 28.3 | -33.7 | 0 | 0 | 0 | 112.8 | ||||
| 717 | K | 34.6 | Very low | 38.4 | Very low | 69 Ų | 69 | 97.7 Ų | 97.7 | 30% | 0.3 | 55% | 0.55 | S | S | . | * | trans | 68 | 101.1 | 137.8 | -56.7 | 178.4 | -174 | -175.5 | 0 | 119.1 | P715 S801 K828 | P715-K717 PolarHBondContact O-N 2.81Å; K717-S801 PolarHBondContact NZ-OG 3.15Å; K717-K828 HydrophobicContact CD-CD 3.99Å; K717-K828 HydrophobicContact CG-CD 4.08Å | ||
| 718 | S | 32.6 | Very low | 37.1 | Very low | 83 Ų | 83 | 99.4 Ų | 99.4 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | 46.5 | 138.1 | 126.4 | 63.5 | 0 | 0 | 0 | 0 | 121.3 | K828 | S718-K828 PolarHBondContact OG-NZ 2.96Š| |||
| 719 | S | 29.7 | Very low | 35.9 | Very low | 86 Ų | 86 | 101.4 Ų | 101.4 | 60% | 0.601 | 57% | 0.571 | S | S | * | * | cis | 163.9 | 158.8 | 7.3 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 720 | I | 29.4 | Very low | 34.8 | Very low | 147 Ų | 147 | 106.6 Ų | 106.6 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | trans | 148.6 | 121 | 132.8 | -79.9 | 155.8 | 0 | 0 | 0 | 115.5 | ||||
| 721 | S | 29.7 | Very low | 33.9 | Very low | 102 Ų | 102 | 111.3 Ų | 111.3 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | trans | 61.1 | 154 | 153.8 | 79.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 722 | T | 29 | Very low | 33.4 | Very low | 135 Ų | 135 | 107.8 Ų | 107.8 | 83% | 0.828 | 60% | 0.604 | S | S | * | * | cis | -163.3 | 176.5 | -3 | 1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 723 | A | 30.8 | Very low | 32.9 | Very low | 74 Ų | 74 | 110 Ų | 110 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | cis | -161.6 | 169.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 724 | S | 31.1 | Very low | 32.7 | Very low | 103 Ų | 103 | 106.1 Ų | 106.1 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | trans | 66.8 | 143.8 | 151.8 | -60.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 725 | K | 32.9 | Very low | 32.8 | Very low | 146 Ų | 146 | 106.4 Ų | 106.4 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | cis | -169 | 131.4 | -6.3 | -111.3 | 173.5 | 165.5 | -79.7 | 0 | 111.3 | ||||
| 726 | E | 33.1 | Very low | 32.8 | Very low | 115 Ų | 115 | 109.3 Ų | 109.3 | 54% | 0.537 | 65% | 0.649 | S | S | . | * | 82.6 | 109 | 125.5 | -72.7 | 166.2 | 175.1 | 0 | 0 | 124.6 | E928 | E726-E928 VanDerWaalsContact C-OE2 3.3Å; E726-E928 WeakPolarHBondContact CA-OE1 3.43Å; E726-E928 PolarHBondContact N-OE1 3.17Å | |||
| 727 | T | 33 | Very low | 32.9 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | 84.6 | 138.2 | 103.9 | -61.6 | 0 | 0 | 0 | 0 | 116.8 | E928 | T727-E928 PolarHBondContact N-OE2 3.32Š| |||
| 728 | E | 32 | Very low | 32.8 | Very low | 121 Ų | 121 | 110.7 Ų | 110.7 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | cis | -148.6 | -166.9 | 37.5 | -173.5 | 30.9 | -123.5 | 0 | 0 | 113.9 | Q730 | E728-Q730 PolarHBondContact OE1-NE2 3.32Š| ||
| 729 | L | 33.7 | Very low | 32.7 | Very low | 100 Ų | 100 | 115.7 Ų | 115.7 | 52% | 0.524 | 70% | 0.702 | S | S | . | * | trans | -99.5 | -155.5 | 177 | -59 | 38.2 | 0 | 0 | 0 | 109.8 | ||||
| 730 | Q | 36.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 64% | 0.64 | 70% | 0.703 | S | S | * | * | cis | -165.9 | 138.2 | 28.3 | -120.8 | 155.8 | 80.9 | 0 | 0 | 108.9 | E728 | E728-Q730 PolarHBondContact OE1-NE2 3.32Š| ||
| 731 | Q | 34.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 115.1 Ų | 115.1 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | 72.4 | 163.5 | 98.4 | -70.1 | -166 | 29.5 | 0 | 0 | 118.2 | |||||
| 732 | P | 37.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | cis | -145.6 | 169.9 | -39.8 | 40.4 | -22.4 | 0 | 0 | 0 | 118.6 | ||||
| 733 | S | 32.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | 69.6 | 130.2 | 138 | 63 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 734 | G | 35.9 | Very low | 33.6 | Very low | 70 Ų | 70 | 121.5 Ų | 121.5 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 153.3 | 168.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 735 | T | 36.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | cis | -168.7 | 123.8 | -29.4 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 736 | T | 34.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | 58.8 | 165.3 | 164.2 | 54.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 737 | A | 32.1 | Very low | 33.8 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | cis | -172.7 | 157.2 | -34.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 738 | G | 32.9 | Very low | 33.6 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 166.9 | 143.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 739 | Q | 30.3 | Very low | 33.7 | Very low | 189 Ų | 189 | 122.5 Ų | 122.5 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -166.3 | -177.1 | -172.9 | -114 | -161.5 | -10.2 | 0 | 0 | 108.5 | ||||
| 740 | P | 36.9 | Very low | 33.5 | Very low | 96 Ų | 96 | 122 Ų | 122 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | cis | -143.1 | -172.3 | -32.7 | 34.3 | -11.5 | 0 | 0 | 0 | 115.8 | ||||
| 741 | V | 32 | Very low | 33 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 69.2 | 142.6 | 153.4 | -128.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 742 | K | 33.4 | Very low | 32.9 | Very low | 195 Ų | 195 | 124.9 Ų | 124.9 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | 102.6 | 144.9 | 145.8 | -69.5 | 172.2 | -173.8 | 177.6 | 0 | 118.8 | ||||
| 743 | A | 31.4 | Very low | 32.5 | Very low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -176.9 | 164.7 | -26.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 744 | K | 33.9 | Very low | 32.5 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 66.3 | 159.8 | 156.6 | -68.8 | -171.7 | 139.7 | -70.1 | 0 | 116.9 | ||||
| 745 | D | 35.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | cis | -143.6 | 166.9 | -28.8 | -75 | -37.6 | 0 | 0 | 0 | 103.7 | ||||
| 746 | A | 35.1 | Very low | 31.9 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | cis | -119.8 | -172.1 | 11.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 747 | Q | 30.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | 90.8 | 119.5 | 15.8 | -117.2 | 179.1 | -62.5 | 0 | 0 | 118 | ||||
| 748 | E | 28.8 | Very low | 31.3 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 63.7 | 152.2 | 156.4 | -71 | 147.9 | -149.2 | 0 | 0 | 119.5 | ||||
| 749 | G | 34 | Very low | 31.1 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | cis | 171.8 | -176 | -1.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 750 | A | 28.7 | Very low | 31 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | cis | -169 | 159.1 | -22.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 751 | W | 25.3 | Very low | 30.6 | Very low | 233 Ų | 233 | 124.5 Ų | 124.5 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -22.3 | 143.7 | 167 | -52.2 | 79.4 | 0 | 0 | 0 | 119.7 | ||||
| 752 | P | 32.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | -91.9 | 112.9 | 126.6 | -9.4 | 27.9 | 0 | 0 | 0 | 108.6 | |||||
| 753 | T | 29.9 | Very low | 30.1 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | 73.8 | 149.4 | 80.7 | 60.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 754 | G | 31.5 | Very low | 29.9 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -80.1 | -161 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 755 | E | 29.4 | Very low | 29.7 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -69.2 | 167.9 | 0 | -62.4 | -148.6 | 73.7 | 0 | 0 | 113.1 | V757 | E755-V757 HydrophobicContact CB-CG2 4.43Å; E755-V757 HydrophobicContact CG-CG2 4.28Å; E755-V757 WeakPolarHBondContact OE1-CG2 3.5Å |
| 756 | T | 31.7 | Very low | 29.4 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | cis | -130.4 | 115.4 | 10.9 | -45.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 757 | V | 26.8 | Very low | 29.2 | Very low | 98 Ų | 98 | 122 Ų | 122 | 59% | 0.594 | 72% | 0.716 | S | S | * | * | 69.4 | 132.4 | 69.6 | 178.3 | 0 | 0 | 0 | 0 | 113.3 | E755 | E755-V757 HydrophobicContact CB-CG2 4.43Å; E755-V757 HydrophobicContact CG-CG2 4.28Å; E755-V757 WeakPolarHBondContact OE1-CG2 3.5Å | |||
| 758 | S | 27 | Very low | 29.1 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | trans | 60 | 110.3 | 179.2 | 50.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 759 | S | 27.5 | Very low | 29 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | 83 | 109.3 | 92.3 | -153 | 0 | 0 | 0 | 0 | 110 | |||||
| 760 | A | 27.7 | Very low | 28.8 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | 49.3 | 121.8 | 67.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 761 | K | 28.7 | Very low | 28.7 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | trans | 179.2 | 133.7 | 145 | -100.6 | 169 | 167.6 | -69.1 | 0 | 108.4 | ||||
| 762 | E | 26.2 | Very low | 28.8 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | 53.3 | 105.2 | 116.9 | -60.7 | 157.5 | -171.8 | 0 | 0 | 112.2 | |||||
| 763 | S | 28.7 | Very low | 28.6 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 81% | 0.811 | 71% | 0.705 | S | S | * | * | 170.8 | 163.6 | 78 | 39.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 764 | S | 28.3 | Very low | 28.5 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | cis | -173.2 | 153.8 | -12.5 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 765 | N | 28.8 | Very low | 28.2 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 66.7 | 149.8 | 160 | -68.9 | 39.4 | 0 | 0 | 0 | 116.7 | ||||
| 766 | D | 30.5 | Very low | 28.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | cis | -152.1 | 142.9 | -2.2 | -116.1 | -31.3 | 0 | 0 | 0 | 112.7 | ||||
| 767 | N | 31.4 | Very low | 27.8 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | 54.2 | 136.5 | 149.4 | -58.1 | -51.9 | 0 | 0 | 0 | 123.6 | ||||
| 768 | N | 27.7 | Very low | 27.7 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | 71 | 142.3 | 151.7 | -73 | -21.3 | 0 | 0 | 0 | 118.8 | ||||
| 769 | W | 27.3 | Very low | 27.9 | Very low | 219 Ų | 219 | 135.9 Ų | 135.9 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | cis | -165.5 | 145.7 | -8.5 | -176.7 | 61 | 0 | 0 | 0 | 108.9 | ||||
| 770 | V | 29.5 | Very low | 28.2 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | 50 | 125.7 | 176.6 | -65.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 771 | D | 26.3 | Very low | 28.8 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | cis | 76.4 | 142.2 | 36.2 | -158 | 16.7 | 0 | 0 | 0 | 115.2 | ||||
| 772 | F | 26.8 | Very low | 30.2 | Very low | 154 Ų | 154 | 131 Ų | 131 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | trans | 64.3 | 119.9 | -172.1 | -71.6 | -108.6 | 0 | 0 | 0 | 115 | ||||
| 773 | K | 29.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 73% | 0.726 | 71% | 0.705 | S | S | * | * | 68.2 | 126.7 | 72 | -69.4 | 172.9 | -177.3 | 160.4 | 0 | 114.3 | |||||
| 774 | N | 27.7 | Very low | 34.9 | Very low | 166 Ų | 166 | 121.6 Ų | 121.6 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | trans | 98.5 | 155.3 | 174.5 | -59.8 | -19.1 | 0 | 0 | 0 | 117 | ||||
| 775 | Q | 24.6 | Very low | 37.9 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 66% | 0.657 | S | S | * | * | trans | -81.6 | 141.8 | -162.2 | -58.1 | 153.8 | -29.7 | 0 | 0 | 113.1 | ||||
| 776 | P | 27.5 | Very low | 41 | Very low | 130 Ų | 130 | 117.5 Ų | 117.5 | 84% | 0.844 | 63% | 0.628 | S | S | * | * | trans | -104.4 | 126.1 | 153.8 | 33.6 | -25.3 | 0 | 0 | 0 | 110.7 | ||||
| 777 | S | 25 | Very low | 43.9 | Very low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | trans | -111 | 157.3 | 169.5 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 778 | S | 26.3 | Very low | 46.9 | Very low | 109 Ų | 109 | 111.1 Ų | 111.1 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | trans | 68 | 127.4 | -176.3 | 78.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 779 | N | 30.3 | Very low | 49.8 | Very low | 163 Ų | 163 | 107.2 Ų | 107.2 | 87% | 0.872 | 57% | 0.565 | S | S | * | * | -124.7 | 112.6 | 114.5 | -108.6 | -19.9 | 0 | 0 | 0 | 105.4 | |||||
| 780 | A | 32.8 | Very low | 52.7 | Low | 71 Ų | 71 | 103.7 Ų | 103.7 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | trans | -71 | 153.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.9 | V782 | A780-V782 PolarHBondContact O-N 2.84Å; A780-V782 VanDerWaalsContact O-N 3.12Å | ||
| 781 | P | 41.6 | Very low | 55.7 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | trans | -56.9 | 122.6 | 171.5 | 25.4 | -33.9 | 0 | 0 | 0 | 108.5 | T783 F811 | P781-T783 PolarHBondContact O-N 3.18Å; P781-F811 HydrophobicContact CB-CD1 4.19Å | ||
| 782 | V | 57.2 | Low | 58.8 | Low | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 94.7 | -171.8 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | A780 V784 K812 | A780-V782 PolarHBondContact O-N 2.84Å; A780-V782 VanDerWaalsContact O-N 3.12Å; V782-V784 HydrophobicContact CG1-CG2 4.34Å; V782-K812 HydrophobicContact CB-CB 4.24Å; V782-K812 HydrophobicContact CG1-CB 4.4Å; V782-K812 WeakPolarHBondContact O-CB 3.23Å; V782-K812 PolarHBondContact O-N 3.48Å |
| 783 | T | 71.1 | Confident | 61.8 | Low | 62 Ų | 62 | 95.2 Ų | 95.2 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.1 | 178.8 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | P781 F809 V810 F811 | P781-T783 PolarHBondContact O-N 3.18Å; T783-F809 HydrophobicContact CG2-CB 4.21Å; T783-V810 CarbonylContact C-O 3.58Å; T783-V810 VanDerWaalsContact CA-O 3.29Å; T783-V810 WeakPolarHBondContact CA-O 3.27Å; T783-F811 HydrophobicContact CG2-CD1 3.53Å; T783-F811 HydrophobicContact CG2-CE1 3.65Å |
| 784 | V | 83.6 | Confident | 64.5 | Low | 4 Ų | 4 | 87.9 Ų | 87.9 | 2% | 0.024 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.8 | 178.8 | 167.9 | 0 | 0 | 0 | 0 | 109.6 | V782 Y786 V810 K812 E841 | V782-V784 HydrophobicContact CG1-CG2 4.34Å; V784-Y786 HydrophobicContact CB-CE2 4.45Å; V784-Y786 HydrophobicContact CG1-CD2 4.15Å; V784-Y786 HydrophobicContact CG1-CE2 3.82Å; V784-V810 PolarHBondContact N-O 3.27Å; V784-V810 PolarHBondContact O-N 3.21Å; V784-K812 HydrophobicContact CB-CD 4.46Å; V784-K812 HydrophobicContact CB-CG 4.46Å; V784-K812 HydrophobicContact CG2-CD 3.6Å; V784-K812 HydrophobicContact CG2-CG 3.97Å; V784-E841 HydrophobicContact CG1-CB 4.18Å; V784-E841 WeakPolarHBondContact CG1-OE2 3.44Å |
| 785 | R | 90.5 | Very high | 66.9 | Low | 114 Ų | 114 | 90 Ų | 90 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.5 | -176.8 | -70 | 169.5 | -67.1 | 151.4 | 5.3 | 111.1 | I807 I808 F809 L840 E841 | R785-I807 HydrophobicContact CB-CG2 4.2Å; R785-I807 HydrophobicContact CG-CG2 4.17Å; R785-I808 CarbonylContact C-O 3.52Å; R785-I808 WeakPolarHBondContact CA-O 3.35Å; R785-F809 HydrophobicContact CG-CD1 3.86Å; R785-F809 HydrophobicContact CG-CE1 3.59Å; R785-F809 HydrophobicContact CG-CZ 4.15Å; R785-L840 HydrophobicContact CB-CB 4.22Å; R785-L840 HydrophobicContact CB-CD1 4.13Å; R785-L840 WeakPolarHBondContact O-CB 3.39Å; R785-L840 PolarHBondContact O-N 2.8Å; R785-E841 IonicContact CZ-OE1 3.6Å; R785-E841 IonicContact NE-OE1 2.64Å; R785-E841 PolarHBondContact NE-OE1 3.27Å; R785-E841 IonicContact NH2-OE1 3.45Å; R785-E841 PolarHBondContact NH2-OE1 3.14Å |
| 786 | Y | 93.6 | Very high | 69.6 | Low | 28 Ų | 28 | 83.9 Ų | 83.9 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.7 | 171.3 | -82.1 | -113.9 | 0 | 0 | 0 | 109.8 | V784 I807 I808 V810 L821 A837 E838 C839 | V784-Y786 HydrophobicContact CB-CE2 4.45Å; V784-Y786 HydrophobicContact CG1-CD2 4.15Å; V784-Y786 HydrophobicContact CG1-CE2 3.82Å; Y786-I807 CarbonylContact O-C 3.18Å; Y786-I807 WeakPolarHBondContact O-CA 3.35Å; Y786-I808 PolarHBondContact N-O 3.12Å; Y786-I808 PolarHBondContact O-N 3.1Å; Y786-V810 HydrophobicContact CD2-CB 3.7Å; Y786-V810 HydrophobicContact CD2-CG1 4.44Å; Y786-V810 HydrophobicContact CD2-CG2 3.37Å; Y786-V810 HydrophobicContact CE2-CB 3.83Å; Y786-V810 HydrophobicContact CE2-CG1 4.1Å; Y786-V810 HydrophobicContact CE2-CG2 3.85Å; Y786-V810 HydrophobicContact CG-CG2 3.76Å; Y786-L821 HydrophobicContact CD1-CD1 3.8Å; Y786-L821 HydrophobicContact CE1-CD1 3.34Å; Y786-L821 HydrophobicContact CE2-CD1 4.31Å; Y786-L821 HydrophobicContact CG-CD1 4.46Å; Y786-A837 HydrophobicContact CD1-CB 4.18Å; Y786-E838 CarbonylContact C-O 3.07Å; Y786-E838 WeakPolarHBondContact CA-O 3.31Å; Y786-E838 WeakPolarHBondContact CB-O 3.15Å; Y786-E838 VanDerWaalsContact CD1-C 3.42Å; Y786-E838 WeakPolarHBondContact CD1-O 3.34Å; Y786-C839 HydrophobicContact CD1-CB 4.17Å; Y786-C839 HydrophobicContact CD2-CB 4.41Å; Y786-C839 HydrophobicContact CE1-CB 3.74Å; Y786-C839 HydrophobicContact CE2-CB 4.01Å; Y786-C839 HydrophobicContact CG-CB 4.49Å |
| 787 | R | 92.9 | Very high | 72 | Confident | 103 Ų | 103 | 81.3 Ų | 81.3 | 39% | 0.389 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.9 | 174.5 | 177.8 | 179.1 | 74.3 | -171.5 | 4.6 | 109.9 | L789 D806 A837 E838 L840 | R787-L789 PolarHBondContact O-N 2.88Å; R787-D806 WeakPolarHBondContact CA-O 3.41Å; R787-A837 CarbonylContact O-C 3.5Å; R787-A837 WeakPolarHBondContact O-CA 3.49Å; R787-A837 WeakPolarHBondContact O-CB 3.3Å; R787-E838 HydrophobicContact CB-CG 3.86Å; R787-E838 VanDerWaalsContact CZ-CD 3.42Å; R787-E838 IonicContact CZ-OE1 3.35Å; R787-E838 IonicContact CZ-OE2 3.4Å; R787-E838 PolarHBondContact N-O 2.76Å; R787-E838 IonicContact NE-OE1 3.74Å; R787-E838 PolarHBondContact NE-OE1 3.22Å; R787-E838 IonicContact NE-OE2 3.29Å; R787-E838 IonicContact NH1-OE1 2.64Å; R787-E838 IonicContact NH2-OE1 3.77Å; R787-E838 PolarHBondContact NH2-OE1 2.84Å; R787-E838 IonicContact NH2-OE2 2.94Å; R787-E838 PolarHBondContact NH2-OE2 2.64Å; R787-E838 PolarHBondContact O-N 2.91Å; R787-L840 HydrophobicContact CB-CD1 3.93Å; R787-L840 HydrophobicContact CB-CD2 3.84Å; R787-L840 HydrophobicContact CB-CG 3.83Å |
| 788 | A | 93.1 | Very high | 74.8 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 126 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F802 Q803 G805 D806 F836 | A788-F802 HydrophobicContact CB-CD2 3.33Å; A788-F802 HydrophobicContact CB-CE2 3.6Å; A788-F802 HydrophobicContact CB-CG 4.16Å; A788-Q803 WeakPolarHBondContact CB-O 3.49Å; A788-G805 PolarHBondContact O-N 3.39Å; A788-D806 HydrophobicContact CB-CB 4.37Å; A788-D806 PolarHBondContact N-O 3.14Å; A788-F836 CarbonylContact C-O 3.56Å; A788-F836 WeakPolarHBondContact CA-O 3.37Å |
| 789 | L | 89.7 | Confident | 77.9 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 36% | 0.356 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -90.2 | -33.9 | 175.6 | -66.2 | 175.7 | 0 | 0 | 0 | 111.8 | R787 F836 E838 | R787-L789 PolarHBondContact O-N 2.88Å; L789-F836 PolarHBondContact N-O 2.96Å; L789-E838 HydrophobicContact CD1-CB 4.36Å; L789-E838 HydrophobicContact CD2-CB 4.26Å; L789-E838 HydrophobicContact CD2-CG 4.04Å; L789-E838 WeakPolarHBondContact CD2-OE2 3.36Å; L789-E838 HydrophobicContact CG-CB 4.41Å |
| 790 | Y | 86.9 | Confident | 80.8 | Confident | 144 Ų | 144 | 68.6 Ų | 68.6 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -134.7 | 162.1 | -176.4 | -54.2 | -68.8 | 0 | 0 | 0 | 110.1 | F792 F802 F836 | Y790-F792 PolarHBondContact O-N 3.02Å; Y790-F802 WeakPolarHBondContact O-CE2 3.24Å; Y790-F836 HydrophobicContact CD2-CG 4.47Å |
| 791 | E | 93.3 | Very high | 83.6 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | trans | -69.1 | 127 | 171.5 | -178.1 | 178.8 | -157.8 | 0 | 0 | 109.4 | V793 Q803 P804 F836 | E791-V793 HydrophobicContact CG-CG2 3.97Å; E791-Q803 PolarHBondContact OE1-NE2 2.83Å; E791-P804 HydrophobicContact CB-CG 4.45Å; E791-F836 WeakPolarHBondContact O-CE1 3.44Å | ||
| 792 | F | 90.7 | Very high | 86.1 | Confident | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 129.3 | 169.9 | -171.1 | -116 | 0 | 0 | 0 | 109.5 | Y790 E799 S801 F802 W820 F832 P833 F836 | Y790-F792 PolarHBondContact O-N 3.02Å; F792-E799 HydrophobicContact CE1-CB 4.18Å; F792-E799 HydrophobicContact CE1-CG 4.35Å; F792-E799 HydrophobicContact CZ-CG 4.41Å; F792-S801 CarbonylContact O-C 3.51Å; F792-S801 WeakPolarHBondContact O-CA 3.35Å; F792-S801 VanDerWaalsContact O-CB 3.3Å; F792-S801 WeakPolarHBondContact O-CB 3.49Å; F792-F802 HydrophobicContact CB-CD2 4.03Å; F792-F802 HydrophobicContact CB-CE1 4.07Å; F792-F802 HydrophobicContact CB-CE2 3.55Å; F792-F802 HydrophobicContact CB-CG 4.49Å; F792-F802 HydrophobicContact CB-CZ 3.57Å; F792-F802 HydrophobicContact CD1-CE1 4.35Å; F792-F802 HydrophobicContact CD1-CZ 4.48Å; F792-F802 HydrophobicContact CG-CZ 4.31Å; F792-F802 PolarHBondContact N-O 3.17Å; F792-F802 PolarHBondContact O-N 2.63Å; F792-W820 HydrophobicContact CE1-CZ3 4.36Å; F792-W820 HydrophobicContact CZ-CH2 4.02Å; F792-W820 AromaticContact CZ-CZ3 3.9Å; F792-W820 HydrophobicContact CZ-CZ3 3.9Å; F792-F832 HydrophobicContact CD1-CB 3.82Å; F792-F832 HydrophobicContact CE1-CB 4Å; F792-P833 HydrophobicContact CD2-CG 4.18Å; F792-P833 VanDerWaalsContact CE2-CD 3.43Å; F792-P833 HydrophobicContact CE2-CG 3.73Å; F792-P833 HydrophobicContact CZ-CG 4.14Å; F792-F836 HydrophobicContact CB-CD1 3.92Å; F792-F836 HydrophobicContact CD2-CD1 4.05Å; F792-F836 HydrophobicContact CD2-CE1 4.19Å; F792-F836 HydrophobicContact CG-CD1 4.4Å |
| 793 | V | 89.8 | Confident | 87.7 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | trans | -117.8 | 101.5 | -178.4 | -175 | 0 | 0 | 0 | 0 | 109.5 | E791 R795 | E791-V793 HydrophobicContact CG-CG2 3.97Å; V793-R795 PolarHBondContact O-N 2.73Å | ||
| 794 | A | 86.1 | Confident | 88.7 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | trans | -51.7 | 129.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E799 S801 | A794-E799 WeakPolarHBondContact CA-OE2 3.45Å; A794-E799 VanDerWaalsContact CB-C 3.49Å; A794-E799 HydrophobicContact CB-CB 3.46Å; A794-E799 VanDerWaalsContact CB-CB 3.46Å; A794-E799 WeakPolarHBondContact CB-O 3.48Å; A794-S801 WeakPolarHBondContact CB-OG 3.43Å; A794-S801 PolarHBondContact N-OG 2.72Å | ||
| 795 | R | 79.2 | Confident | 88.7 | Confident | 209 Ų | 209 | 66.6 Ų | 66.6 | 79% | 0.789 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -96.4 | -25.7 | 178.9 | -58.3 | 174.7 | 178.5 | -177.4 | 0.2 | 111.8 | V793 E799 | V793-R795 PolarHBondContact O-N 2.73Å; R795-E799 WeakPolarHBondContact CB-OE2 3.23Å; R795-E799 PolarHBondContact N-OE2 2.82Å |
| 796 | T | 80.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -123.1 | 173.4 | 174 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | D798 E799 | T796-D798 WeakPolarHBondContact CB-OD1 3.29Å; T796-D798 PolarHBondContact OG1-OD1 3.35Å; T796-E799 PolarHBondContact O-N 2.64Å |
| 797 | E | 78.1 | Confident | 88.8 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -29.8 | -176.5 | -165.3 | -176.8 | 13.8 | 0 | 0 | 112.7 | L714 P715 E799 | L714-E797 WeakPolarHBondContact CA-OE1 2.93Å; L714-E797 HydrophobicContact CB-CB 4.15Å; L714-E797 WeakPolarHBondContact CD2-OE1 3.3Å; P715-E797 VanDerWaalsContact CD-CD 3.47Å; P715-E797 WeakPolarHBondContact CD-OE1 3.46Å; P715-E797 WeakPolarHBondContact CD-OE2 3.41Å; E797-E799 PolarHBondContact O-N 2.72Å |
| 798 | D | 83.8 | Confident | 88.7 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -6.5 | 174.5 | 56.1 | -54.6 | 0 | 0 | 0 | 113.4 | T796 G830 W831 | T796-D798 WeakPolarHBondContact CB-OD1 3.29Å; T796-D798 PolarHBondContact OG1-OD1 3.35Å; D798-G830 CarbonylContact O-C 3.32Å; D798-G830 WeakPolarHBondContact O-CA 3.28Å; D798-W831 PolarHBondContact O-N 2.88Å |
| 799 | E | 91.8 | Very high | 88.7 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -93.6 | 144.6 | 172.9 | -79 | -178.1 | 175.2 | 0 | 0 | 113.2 | F792 A794 R795 T796 E797 W820 W831 | F792-E799 HydrophobicContact CE1-CB 4.18Å; F792-E799 HydrophobicContact CE1-CG 4.35Å; F792-E799 HydrophobicContact CZ-CG 4.41Å; A794-E799 WeakPolarHBondContact CA-OE2 3.45Å; A794-E799 VanDerWaalsContact CB-C 3.49Å; A794-E799 HydrophobicContact CB-CB 3.46Å; A794-E799 VanDerWaalsContact CB-CB 3.46Å; A794-E799 WeakPolarHBondContact CB-O 3.48Å; R795-E799 WeakPolarHBondContact CB-OE2 3.23Å; R795-E799 PolarHBondContact N-OE2 2.82Å; T796-E799 PolarHBondContact O-N 2.64Å; E797-E799 PolarHBondContact O-N 2.72Å; E799-W820 HydrophobicContact CG-CZ3 4.15Å; E799-W820 WeakPolarHBondContact OE1-CH2 3.2Å; E799-W831 CarbonylContact C-O 3.5Å; E799-W831 WeakPolarHBondContact CA-O 3.5Å |
| 800 | L | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -103.5 | 85.8 | -172.7 | -172 | 71.5 | 0 | 0 | 0 | 113.3 | F802 I808 I825 K828 W831 F832 | L800-F802 HydrophobicContact CD2-CD1 4.45Å; L800-F802 HydrophobicContact CG-CD1 4.36Å; L800-F802 WeakPolarHBondContact O-CD1 3.49Å; L800-F802 WeakPolarHBondContact O-CE1 3.48Å; L800-I808 HydrophobicContact CD2-CG2 3.6Å; L800-I825 HydrophobicContact CD1-CB 4.05Å; L800-I825 HydrophobicContact CD1-CG2 4.11Å; L800-I825 HydrophobicContact CD2-CB 4.23Å; L800-I825 HydrophobicContact CG-CB 4.34Å; L800-K828 HydrophobicContact CD1-CB 4.16Å; L800-K828 VanDerWaalsContact CD1-O 3.25Å; L800-K828 WeakPolarHBondContact CD1-O 3.43Å; L800-W831 PolarHBondContact N-O 2.89Å; L800-F832 HydrophobicContact CB-CD1 4.4Å; L800-F832 HydrophobicContact CD2-CD1 3.95Å; L800-F832 HydrophobicContact CD2-CE1 4.29Å | ||
| 801 | S | 92.5 | Very high | 88.6 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | trans | -60 | 137.1 | 172.7 | -14.8 | 0 | 0 | 0 | 0 | 113.9 | K717 F792 A794 | K717-S801 PolarHBondContact NZ-OG 3.15Å; F792-S801 CarbonylContact O-C 3.51Å; F792-S801 WeakPolarHBondContact O-CA 3.35Å; F792-S801 VanDerWaalsContact O-CB 3.3Å; F792-S801 WeakPolarHBondContact O-CB 3.49Å; A794-S801 WeakPolarHBondContact CB-OG 3.43Å; A794-S801 PolarHBondContact N-OG 2.72Å | ||
| 802 | F | 94 | Very high | 87.4 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -155.2 | 164.7 | 175.9 | 51.5 | -110.1 | 0 | 0 | 0 | 112.3 | A788 Y790 F792 L800 D806 I808 I825 F832 F836 | A788-F802 HydrophobicContact CB-CD2 3.33Å; A788-F802 HydrophobicContact CB-CE2 3.6Å; A788-F802 HydrophobicContact CB-CG 4.16Å; Y790-F802 WeakPolarHBondContact O-CE2 3.24Å; F792-F802 HydrophobicContact CB-CD2 4.03Å; F792-F802 HydrophobicContact CB-CE1 4.07Å; F792-F802 HydrophobicContact CB-CE2 3.55Å; F792-F802 HydrophobicContact CB-CG 4.49Å; F792-F802 HydrophobicContact CB-CZ 3.57Å; F792-F802 HydrophobicContact CD1-CE1 4.35Å; F792-F802 HydrophobicContact CD1-CZ 4.48Å; F792-F802 HydrophobicContact CG-CZ 4.31Å; F792-F802 PolarHBondContact N-O 3.17Å; F792-F802 PolarHBondContact O-N 2.63Å; L800-F802 HydrophobicContact CD2-CD1 4.45Å; L800-F802 HydrophobicContact CG-CD1 4.36Å; L800-F802 WeakPolarHBondContact O-CD1 3.49Å; L800-F802 WeakPolarHBondContact O-CE1 3.48Å; F802-D806 HydrophobicContact CB-CB 4.07Å; F802-I808 HydrophobicContact CD1-CD1 3.55Å; F802-I808 HydrophobicContact CD1-CG1 4.02Å; F802-I808 HydrophobicContact CD2-CD1 4.46Å; F802-I808 HydrophobicContact CE1-CD1 3.35Å; F802-I808 HydrophobicContact CE1-CG1 4.28Å; F802-I808 HydrophobicContact CE2-CD1 4.29Å; F802-I808 HydrophobicContact CG-CD1 4.13Å; F802-I808 HydrophobicContact CZ-CD1 3.76Å; F802-I825 HydrophobicContact CB-CD1 3.54Å; F802-I825 HydrophobicContact CD1-CD1 4.36Å; F802-I825 HydrophobicContact CG-CD1 4.29Å; F802-F832 HydrophobicContact CE1-CB 3.51Å; F802-F832 HydrophobicContact CE1-CD1 4.13Å; F802-F832 AromaticContact CE1-CD2 3.67Å; F802-F832 HydrophobicContact CE1-CD2 3.67Å; F802-F832 HydrophobicContact CE1-CE2 4.42Å; F802-F832 AromaticContact CE1-CG 3.49Å; F802-F832 HydrophobicContact CE1-CG 3.49Å; F802-F832 VanDerWaalsContact CE1-CG 3.49Å; F802-F832 HydrophobicContact CZ-CB 3.95Å; F802-F832 AromaticContact CZ-CD2 3.7Å; F802-F832 HydrophobicContact CZ-CD2 3.7Å; F802-F832 HydrophobicContact CZ-CE2 4.47Å; F802-F832 AromaticContact CZ-CG 3.96Å; F802-F832 HydrophobicContact CZ-CG 3.96Å; F802-F836 HydrophobicContact CE2-CB 4.23Å; F802-F836 HydrophobicContact CZ-CB 4.06Å |
| 803 | Q | 90.9 | Very high | 86.1 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | trans | -103.1 | 157.7 | 176.9 | -68.8 | -63.5 | -24.2 | 0 | 0 | 111.9 | A788 E791 G805 D806 | A788-Q803 WeakPolarHBondContact CB-O 3.49Å; E791-Q803 PolarHBondContact OE1-NE2 2.83Å; Q803-G805 PolarHBondContact O-N 2.58Å; Q803-D806 PolarHBondContact N-OD2 3.44Å; Q803-D806 WeakPolarHBondContact O-CB 3.05Å; Q803-D806 PolarHBondContact O-N 2.9Å | ||
| 804 | P | 90.3 | Very high | 85.1 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 129.5 | 174.4 | -21.9 | 31.2 | 0 | 0 | 0 | 111.7 | E791 | E791-P804 HydrophobicContact CB-CG 4.45Š|
| 805 | G | 85.2 | Confident | 83.8 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -11.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A788 Q803 | A788-G805 PolarHBondContact O-N 3.39Å; Q803-G805 PolarHBondContact O-N 2.58Å |
| 806 | D | 92.7 | Very high | 82.9 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | trans | -61.5 | 150.1 | 172 | -86.8 | -38.4 | 0 | 0 | 0 | 111.6 | R787 A788 F802 Q803 I825 | R787-D806 WeakPolarHBondContact CA-O 3.41Å; A788-D806 HydrophobicContact CB-CB 4.37Å; A788-D806 PolarHBondContact N-O 3.14Å; F802-D806 HydrophobicContact CB-CB 4.07Å; Q803-D806 PolarHBondContact N-OD2 3.44Å; Q803-D806 WeakPolarHBondContact O-CB 3.05Å; Q803-D806 PolarHBondContact O-N 2.9Å; D806-I825 HydrophobicContact CB-CD1 3.66Å | ||
| 807 | I | 91.9 | Very high | 82 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.7 | -177.8 | -47.5 | -64.3 | 0 | 0 | 0 | 110.3 | R785 Y786 F809 I825 L840 | R785-I807 HydrophobicContact CB-CG2 4.2Å; R785-I807 HydrophobicContact CG-CG2 4.17Å; Y786-I807 CarbonylContact O-C 3.18Å; Y786-I807 WeakPolarHBondContact O-CA 3.35Å; I807-F809 HydrophobicContact CG2-CE2 4.43Å; I807-I825 VanDerWaalsContact O-CG1 3.28Å; I807-I825 WeakPolarHBondContact O-CG1 3.43Å; I807-L840 HydrophobicContact CD1-CD1 3.69Å; I807-L840 HydrophobicContact CG2-CD1 4.18Å |
| 808 | I | 92.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.2 | -177.9 | -49.5 | 156.8 | 0 | 0 | 0 | 109.7 | R785 Y786 L800 F802 V810 I825 F832 A837 | R785-I808 CarbonylContact C-O 3.52Å; R785-I808 WeakPolarHBondContact CA-O 3.35Å; Y786-I808 PolarHBondContact N-O 3.12Å; Y786-I808 PolarHBondContact O-N 3.1Å; L800-I808 HydrophobicContact CD2-CG2 3.6Å; F802-I808 HydrophobicContact CD1-CD1 3.55Å; F802-I808 HydrophobicContact CD1-CG1 4.02Å; F802-I808 HydrophobicContact CD2-CD1 4.46Å; F802-I808 HydrophobicContact CE1-CD1 3.35Å; F802-I808 HydrophobicContact CE1-CG1 4.28Å; F802-I808 HydrophobicContact CE2-CD1 4.29Å; F802-I808 HydrophobicContact CG-CD1 4.13Å; F802-I808 HydrophobicContact CZ-CD1 3.76Å; I808-V810 HydrophobicContact CG2-CG2 4.2Å; I808-I825 HydrophobicContact CB-CD1 4.44Å; I808-I825 HydrophobicContact CG1-CD1 3.55Å; I808-I825 HydrophobicContact CG1-CG1 4.19Å; I808-F832 HydrophobicContact CB-CE1 4.47Å; I808-F832 HydrophobicContact CB-CZ 4.36Å; I808-F832 HydrophobicContact CD1-CD1 4.49Å; I808-F832 HydrophobicContact CD1-CD2 4.16Å; I808-F832 HydrophobicContact CD1-CE1 4.12Å; I808-F832 HydrophobicContact CD1-CE2 3.76Å; I808-F832 HydrophobicContact CD1-CZ 3.71Å; I808-F832 HydrophobicContact CG2-CD1 4.35Å; I808-F832 HydrophobicContact CG2-CE1 3.54Å; I808-F832 HydrophobicContact CG2-CZ 3.87Å; I808-A837 HydrophobicContact CD1-CB 3.84Å |
| 809 | F | 91.4 | Very high | 81.7 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 94.2 | 175 | -68.3 | -95 | 0 | 0 | 0 | 109.6 | T783 R785 I807 G823 Q824 | T783-F809 HydrophobicContact CG2-CB 4.21Å; R785-F809 HydrophobicContact CG-CD1 3.86Å; R785-F809 HydrophobicContact CG-CE1 3.59Å; R785-F809 HydrophobicContact CG-CZ 4.15Å; I807-F809 HydrophobicContact CG2-CE2 4.43Å; F809-G823 CarbonylContact O-C 3.49Å; F809-G823 WeakPolarHBondContact O-CA 3.37Å; F809-Q824 HydrophobicContact CB-CB 4.38Å; F809-Q824 PolarHBondContact N-O 3.45Å; F809-Q824 PolarHBondContact O-N 2.84Å |
| 810 | V | 89.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.9 | -176.9 | 172.4 | 0 | 0 | 0 | 0 | 111 | T783 V784 Y786 I808 K812 L821 A822 F832 | T783-V810 CarbonylContact C-O 3.58Å; T783-V810 VanDerWaalsContact CA-O 3.29Å; T783-V810 WeakPolarHBondContact CA-O 3.27Å; V784-V810 PolarHBondContact N-O 3.27Å; V784-V810 PolarHBondContact O-N 3.21Å; Y786-V810 HydrophobicContact CD2-CB 3.7Å; Y786-V810 HydrophobicContact CD2-CG1 4.44Å; Y786-V810 HydrophobicContact CD2-CG2 3.37Å; Y786-V810 HydrophobicContact CE2-CB 3.83Å; Y786-V810 HydrophobicContact CE2-CG1 4.1Å; Y786-V810 HydrophobicContact CE2-CG2 3.85Å; Y786-V810 HydrophobicContact CG-CG2 3.76Å; I808-V810 HydrophobicContact CG2-CG2 4.2Å; V810-K812 PolarHBondContact O-N 3.11Å; V810-L821 HydrophobicContact CG1-CB 4.04Å; V810-L821 HydrophobicContact CG1-CD1 4.32Å; V810-L821 HydrophobicContact CG1-CD2 4.18Å; V810-L821 HydrophobicContact CG1-CG 4.41Å; V810-L821 HydrophobicContact CG2-CB 4.23Å; V810-L821 HydrophobicContact CG2-CD1 4.16Å; V810-A822 WeakPolarHBondContact CA-O 3.5Å; V810-F832 HydrophobicContact CG2-CE1 3.89Å; V810-F832 HydrophobicContact CG2-CZ 3.52Å |
| 811 | F | 85.7 | Confident | 81.5 | Confident | 33 Ų | 33 | 61 Ų | 61 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 100.2 | 178.2 | -53.8 | -67.9 | 0 | 0 | 0 | 110.5 | P781 T783 H814 A822 Q824 V829 | P781-F811 HydrophobicContact CB-CD1 4.19Å; T783-F811 HydrophobicContact CG2-CD1 3.53Å; T783-F811 HydrophobicContact CG2-CE1 3.65Å; F811-H814 HydrophobicContact CB-CB 4.27Å; F811-H814 PolarHBondContact O-N 3.42Å; F811-A822 HydrophobicContact CD2-CB 4.24Å; F811-A822 PolarHBondContact N-O 3.03Å; F811-Q824 HydrophobicContact CE2-CB 4.38Å; F811-Q824 HydrophobicContact CZ-CB 3.87Å; F811-V829 HydrophobicContact CE2-CG1 3.88Å; F811-V829 HydrophobicContact CE2-CG2 4.19Å; F811-V829 HydrophobicContact CZ-CG2 4.06Å |
| 812 | K | 68.3 | Low | 81.3 | Confident | 105 Ų | 105 | 59.4 Ų | 59.4 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 142.4 | 166.2 | -75.9 | -172.7 | 172 | 170.6 | 0 | 109.4 | V782 V784 V810 | V782-K812 HydrophobicContact CB-CB 4.24Å; V782-K812 HydrophobicContact CG1-CB 4.4Å; V782-K812 WeakPolarHBondContact O-CB 3.23Å; V782-K812 PolarHBondContact O-N 3.48Å; V784-K812 HydrophobicContact CB-CD 4.46Å; V784-K812 HydrophobicContact CB-CG 4.46Å; V784-K812 HydrophobicContact CG2-CD 3.6Å; V784-K812 HydrophobicContact CG2-CG 3.97Å; V810-K812 PolarHBondContact O-N 3.11Å |
| 813 | N | 64.2 | Low | 81.1 | Confident | 160 Ų | 160 | 59.1 Ų | 59.1 | 86% | 0.856 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 22.8 | -175.9 | -44.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 814 | H | 67.4 | Low | 81.1 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -96 | 138.1 | 159.5 | -139.3 | 35 | 0 | 0 | 0 | 109.4 | F811 C816 A822 | F811-H814 HydrophobicContact CB-CB 4.27Å; F811-H814 PolarHBondContact O-N 3.42Å; H814-C816 PolarHBondContact O-N 3.34Å; H814-C816 PolarHBondContact O-SG 2.89Å; H814-A822 HydrophobicContact CB-CB 4.45Å |
| 815 | E | 58.6 | Low | 81 | Confident | 155 Ų | 155 | 55 Ų | 55 | 72% | 0.724 | 30% | 0.295 | S | S | * | . | trans | -75.2 | 106.6 | -178.8 | -68.5 | -179.7 | 174.3 | 0 | 0 | 109.8 | W831 | E815-W831 WeakPolarHBondContact O-CH2 3.47Š| ||
| 816 | C | 60.4 | Low | 80.7 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | trans | -104.9 | 146.2 | -173.4 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | H814 W820 W831 | H814-C816 PolarHBondContact O-N 3.34Å; H814-C816 PolarHBondContact O-SG 2.89Å; C816-W820 VanDerWaalsContact CB-O 3.27Å; C816-W820 WeakPolarHBondContact CB-O 3.46Å; C816-W831 HydrophobicContact CB-CZ3 3.78Å | ||
| 817 | E | 62.7 | Low | 79.9 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | trans | -57.2 | 132.3 | 163.3 | -84.6 | -162.8 | -155.1 | 0 | 0 | 109.8 | Q555 K558 N559 F562 G819 W820 | Q555-E817 PolarHBondContact NE2-OE2 2.91Å; K558-E817 VanDerWaalsContact CB-CD 3.43Å; K558-E817 HydrophobicContact CB-CG 4.14Å; K558-E817 VanDerWaalsContact CB-OE2 3.24Å; K558-E817 WeakPolarHBondContact CB-OE2 3.43Å; K558-E817 HydrophobicContact CD-CB 4.25Å; K558-E817 HydrophobicContact CD-CG 4.18Å; K558-E817 WeakPolarHBondContact CD-OE2 3.35Å; N559-E817 PolarHBondContact N-OE1 2.83Å; F562-E817 HydrophobicContact CD2-CG 3.65Å; F562-E817 HydrophobicContact CE2-CG 3.65Å; E817-G819 PolarHBondContact O-N 2.75Å; E817-W820 HydrophobicContact CB-CB 4.36Å; E817-W820 HydrophobicContact CB-CG 4.41Å; E817-W820 WeakPolarHBondContact O-CB 3.35Å; E817-W820 PolarHBondContact O-N 3.35Å | ||
| 818 | P | 74.4 | Confident | 79.4 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 62% | 0.623 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 125.7 | -175.5 | -29.1 | 34.3 | 0 | 0 | 0 | 113 | K558 | K558-P818 PolarHBondContact NZ-O 2.8Š|
| 819 | G | 80.5 | Confident | 79.2 | Confident | 36 Ų | 36 | 70 Ų | 70 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 8.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | E817 P833 E834 | E817-G819 PolarHBondContact O-N 2.75Å; G819-P833 CarbonylContact O-C 3.53Å; G819-P833 WeakPolarHBondContact O-CA 3.42Å; G819-E834 PolarHBondContact O-N 2.81Å |
| 820 | W | 88.5 | Confident | 79 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.1 | 165.3 | -68.6 | 77.3 | 0 | 0 | 0 | 110.3 | Q555 F792 E799 C816 E817 W831 F832 P833 | Q555-W820 VanDerWaalsContact CD-NE1 3.29Å; Q555-W820 VanDerWaalsContact NE2-NE1 3.18Å; F792-W820 HydrophobicContact CE1-CZ3 4.36Å; F792-W820 HydrophobicContact CZ-CH2 4.02Å; F792-W820 AromaticContact CZ-CZ3 3.9Å; F792-W820 HydrophobicContact CZ-CZ3 3.9Å; E799-W820 HydrophobicContact CG-CZ3 4.15Å; E799-W820 WeakPolarHBondContact OE1-CH2 3.2Å; C816-W820 VanDerWaalsContact CB-O 3.27Å; C816-W820 WeakPolarHBondContact CB-O 3.46Å; E817-W820 HydrophobicContact CB-CB 4.36Å; E817-W820 HydrophobicContact CB-CG 4.41Å; E817-W820 WeakPolarHBondContact O-CB 3.35Å; E817-W820 PolarHBondContact O-N 3.35Å; W820-W831 HydrophobicContact CE3-CB 3.87Å; W820-W831 HydrophobicContact CZ3-CB 4.22Å; W820-F832 CarbonylContact C-O 3.49Å; W820-F832 VanDerWaalsContact CA-O 3.3Å; W820-F832 WeakPolarHBondContact CA-O 3.25Å; W820-P833 HydrophobicContact CD2-CG 4.41Å; W820-P833 HydrophobicContact CE3-CG 4.25Å; W820-P833 HydrophobicContact CH2-CG 4.09Å; W820-P833 HydrophobicContact CZ2-CG 4.23Å; W820-P833 HydrophobicContact CZ3-CG 4.1Å |
| 821 | L | 89.4 | Confident | 79.1 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.4 | 175.6 | -63.2 | 175.3 | 0 | 0 | 0 | 109.7 | Y786 V810 W831 F832 E834 | Y786-L821 HydrophobicContact CD1-CD1 3.8Å; Y786-L821 HydrophobicContact CE1-CD1 3.34Å; Y786-L821 HydrophobicContact CE2-CD1 4.31Å; Y786-L821 HydrophobicContact CG-CD1 4.46Å; V810-L821 HydrophobicContact CG1-CB 4.04Å; V810-L821 HydrophobicContact CG1-CD1 4.32Å; V810-L821 HydrophobicContact CG1-CD2 4.18Å; V810-L821 HydrophobicContact CG1-CG 4.41Å; V810-L821 HydrophobicContact CG2-CB 4.23Å; V810-L821 HydrophobicContact CG2-CD1 4.16Å; L821-W831 WeakPolarHBondContact O-CA 3.23Å; L821-F832 HydrophobicContact CB-CD1 4.49Å; L821-F832 HydrophobicContact CB-CE1 3.85Å; L821-F832 HydrophobicContact CB-CE2 4.07Å; L821-F832 HydrophobicContact CB-CZ 3.63Å; L821-F832 HydrophobicContact CD1-CE2 4.08Å; L821-F832 HydrophobicContact CD1-CZ 3.98Å; L821-F832 HydrophobicContact CG-CZ 4.42Å; L821-F832 PolarHBondContact N-O 3.49Å; L821-F832 VanDerWaalsContact O-CD1 3.23Å; L821-F832 WeakPolarHBondContact O-CD1 3.45Å; L821-F832 WeakPolarHBondContact O-CE1 3.31Å; L821-F832 PolarHBondContact O-N 2.81Å; L821-E834 HydrophobicContact CD1-CB 4.22Å; L821-E834 HydrophobicContact CD1-CG 4.05Å; L821-E834 HydrophobicContact CG-CB 4.07Å; L821-E834 HydrophobicContact CG-CG 4.27Å |
| 822 | A | 89.1 | Confident | 79.5 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V810 F811 H814 W831 | V810-A822 WeakPolarHBondContact CA-O 3.5Å; F811-A822 HydrophobicContact CD2-CB 4.24Å; F811-A822 PolarHBondContact N-O 3.03Å; H814-A822 HydrophobicContact CB-CB 4.45Å; A822-W831 HydrophobicContact CB-CD2 4.35Å; A822-W831 HydrophobicContact CB-CE3 3.78Å; A822-W831 HydrophobicContact CB-CH2 3.96Å; A822-W831 HydrophobicContact CB-CZ3 3.57Å |
| 823 | G | 89.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 177.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F809 V829 G830 | F809-G823 CarbonylContact O-C 3.49Å; F809-G823 WeakPolarHBondContact O-CA 3.37Å; G823-V829 CarbonylContact O-C 3.49Å; G823-V829 WeakPolarHBondContact O-CA 3.15Å; G823-G830 PolarHBondContact N-O 2.7Å; G823-G830 PolarHBondContact O-N 2.77Å |
| 824 | Q | 91 | Very high | 81.7 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.7 | -178.8 | -174.6 | 173.7 | -13.2 | 0 | 0 | 111.3 | F809 F811 K826 K828 V829 | F809-Q824 HydrophobicContact CB-CB 4.38Å; F809-Q824 PolarHBondContact N-O 3.45Å; F809-Q824 PolarHBondContact O-N 2.84Å; F811-Q824 HydrophobicContact CE2-CB 4.38Å; F811-Q824 HydrophobicContact CZ-CB 3.87Å; Q824-K826 VanDerWaalsContact CG-O 3.3Å; Q824-K826 WeakPolarHBondContact CG-O 3.3Å; Q824-K826 PolarHBondContact NE2-O 2.93Å; Q824-K828 CarbonylContact C-O 3.54Å; Q824-K828 WeakPolarHBondContact CA-O 3.28Å; Q824-V829 HydrophobicContact CB-CG2 3.99Å; Q824-V829 HydrophobicContact CG-CG2 3.9Å |
| 825 | I | 87 | Confident | 82.7 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.5 | 168 | -120.7 | 169.9 | 0 | 0 | 0 | 108.8 | L800 F802 D806 I807 I808 D827 K828 | L800-I825 HydrophobicContact CD1-CB 4.05Å; L800-I825 HydrophobicContact CD1-CG2 4.11Å; L800-I825 HydrophobicContact CD2-CB 4.23Å; L800-I825 HydrophobicContact CG-CB 4.34Å; F802-I825 HydrophobicContact CB-CD1 3.54Å; F802-I825 HydrophobicContact CD1-CD1 4.36Å; F802-I825 HydrophobicContact CG-CD1 4.29Å; D806-I825 HydrophobicContact CB-CD1 3.66Å; I807-I825 VanDerWaalsContact O-CG1 3.28Å; I807-I825 WeakPolarHBondContact O-CG1 3.43Å; I808-I825 HydrophobicContact CB-CD1 4.44Å; I808-I825 HydrophobicContact CG1-CD1 3.55Å; I808-I825 HydrophobicContact CG1-CG1 4.19Å; I825-D827 PolarHBondContact O-N 2.97Å; I825-K828 PolarHBondContact N-O 3.02Å; I825-K828 PolarHBondContact O-N 3.27Å |
| 826 | K | 79.2 | Confident | 84.3 | Confident | 163 Ų | 163 | 54.6 Ų | 54.6 | 71% | 0.709 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -124.6 | -170.8 | -58.4 | 162.6 | -174.9 | 163.7 | 0 | 109 | Q824 | Q824-K826 VanDerWaalsContact CG-O 3.3Å; Q824-K826 WeakPolarHBondContact CG-O 3.3Å; Q824-K826 PolarHBondContact NE2-O 2.93Å |
| 827 | D | 76.6 | Confident | 85.7 | Confident | 160 Ų | 160 | 53 Ų | 53 | 86% | 0.856 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.6 | 179.1 | -45.3 | -62.7 | 0 | 0 | 0 | 114 | I825 | I825-D827 PolarHBondContact O-N 2.97Š|
| 828 | K | 82.1 | Confident | 87.1 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.4 | -174.8 | -68.3 | 169.4 | 178.5 | 172.5 | 0 | 109.7 | K717 S718 L800 Q824 I825 | K717-K828 HydrophobicContact CD-CD 3.99Å; K717-K828 HydrophobicContact CG-CD 4.08Å; S718-K828 PolarHBondContact OG-NZ 2.96Å; L800-K828 HydrophobicContact CD1-CB 4.16Å; L800-K828 VanDerWaalsContact CD1-O 3.25Å; L800-K828 WeakPolarHBondContact CD1-O 3.43Å; Q824-K828 CarbonylContact C-O 3.54Å; Q824-K828 WeakPolarHBondContact CA-O 3.28Å; I825-K828 PolarHBondContact N-O 3.02Å; I825-K828 PolarHBondContact O-N 3.27Å |
| 829 | V | 87.3 | Confident | 87.7 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.5 | 175.2 | 167.2 | 0 | 0 | 0 | 0 | 108.6 | F811 G823 Q824 | F811-V829 HydrophobicContact CE2-CG1 3.88Å; F811-V829 HydrophobicContact CE2-CG2 4.19Å; F811-V829 HydrophobicContact CZ-CG2 4.06Å; G823-V829 CarbonylContact O-C 3.49Å; G823-V829 WeakPolarHBondContact O-CA 3.15Å; Q824-V829 HydrophobicContact CB-CG2 3.99Å; Q824-V829 HydrophobicContact CG-CG2 3.9Å |
| 830 | G | 88.4 | Confident | 87.4 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D798 G823 | D798-G830 CarbonylContact O-C 3.32Å; D798-G830 WeakPolarHBondContact O-CA 3.28Å; G823-G830 PolarHBondContact N-O 2.7Å; G823-G830 PolarHBondContact O-N 2.77Å |
| 831 | W | 91.1 | Very high | 86.2 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 144.1 | 176.5 | -57 | 107 | 0 | 0 | 0 | 111.9 | D798 E799 L800 E815 C816 W820 L821 A822 | D798-W831 PolarHBondContact O-N 2.88Å; E799-W831 CarbonylContact C-O 3.5Å; E799-W831 WeakPolarHBondContact CA-O 3.5Å; L800-W831 PolarHBondContact N-O 2.89Å; E815-W831 WeakPolarHBondContact O-CH2 3.47Å; C816-W831 HydrophobicContact CB-CZ3 3.78Å; W820-W831 HydrophobicContact CE3-CB 3.87Å; W820-W831 HydrophobicContact CZ3-CB 4.22Å; L821-W831 WeakPolarHBondContact O-CA 3.23Å; A822-W831 HydrophobicContact CB-CD2 4.35Å; A822-W831 HydrophobicContact CB-CE3 3.78Å; A822-W831 HydrophobicContact CB-CH2 3.96Å; A822-W831 HydrophobicContact CB-CZ3 3.57Å |
| 832 | F | 92.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 155.9 | 167.7 | 64.4 | -83.5 | 0 | 0 | 0 | 111 | F792 L800 F802 I808 V810 W820 L821 E834 A837 | F792-F832 HydrophobicContact CD1-CB 3.82Å; F792-F832 HydrophobicContact CE1-CB 4Å; L800-F832 HydrophobicContact CB-CD1 4.4Å; L800-F832 HydrophobicContact CD2-CD1 3.95Å; L800-F832 HydrophobicContact CD2-CE1 4.29Å; F802-F832 HydrophobicContact CE1-CB 3.51Å; F802-F832 HydrophobicContact CE1-CD1 4.13Å; F802-F832 AromaticContact CE1-CD2 3.67Å; F802-F832 HydrophobicContact CE1-CD2 3.67Å; F802-F832 HydrophobicContact CE1-CE2 4.42Å; F802-F832 AromaticContact CE1-CG 3.49Å; F802-F832 HydrophobicContact CE1-CG 3.49Å; F802-F832 VanDerWaalsContact CE1-CG 3.49Å; F802-F832 HydrophobicContact CZ-CB 3.95Å; F802-F832 AromaticContact CZ-CD2 3.7Å; F802-F832 HydrophobicContact CZ-CD2 3.7Å; F802-F832 HydrophobicContact CZ-CE2 4.47Å; F802-F832 AromaticContact CZ-CG 3.96Å; F802-F832 HydrophobicContact CZ-CG 3.96Å; I808-F832 HydrophobicContact CB-CE1 4.47Å; I808-F832 HydrophobicContact CB-CZ 4.36Å; I808-F832 HydrophobicContact CD1-CD1 4.49Å; I808-F832 HydrophobicContact CD1-CD2 4.16Å; I808-F832 HydrophobicContact CD1-CE1 4.12Å; I808-F832 HydrophobicContact CD1-CE2 3.76Å; I808-F832 HydrophobicContact CD1-CZ 3.71Å; I808-F832 HydrophobicContact CG2-CD1 4.35Å; I808-F832 HydrophobicContact CG2-CE1 3.54Å; I808-F832 HydrophobicContact CG2-CZ 3.87Å; V810-F832 HydrophobicContact CG2-CE1 3.89Å; V810-F832 HydrophobicContact CG2-CZ 3.52Å; W820-F832 CarbonylContact C-O 3.49Å; W820-F832 VanDerWaalsContact CA-O 3.3Å; W820-F832 WeakPolarHBondContact CA-O 3.25Å; L821-F832 HydrophobicContact CB-CD1 4.49Å; L821-F832 HydrophobicContact CB-CE1 3.85Å; L821-F832 HydrophobicContact CB-CE2 4.07Å; L821-F832 HydrophobicContact CB-CZ 3.63Å; L821-F832 HydrophobicContact CD1-CE2 4.08Å; L821-F832 HydrophobicContact CD1-CZ 3.98Å; L821-F832 HydrophobicContact CG-CZ 4.42Å; L821-F832 PolarHBondContact N-O 3.49Å; L821-F832 VanDerWaalsContact O-CD1 3.23Å; L821-F832 WeakPolarHBondContact O-CD1 3.45Å; L821-F832 WeakPolarHBondContact O-CE1 3.31Å; L821-F832 PolarHBondContact O-N 2.81Å; F832-E834 PolarHBondContact O-N 3.03Å; F832-A837 HydrophobicContact CE2-CB 3.76Å |
| 833 | P | 90.8 | Very high | 80.8 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 14% | 0.143 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.5 | 178.8 | -21.1 | 33.1 | 0 | 0 | 0 | 111.7 | F792 G819 W820 A835 F836 | F792-P833 HydrophobicContact CD2-CG 4.18Å; F792-P833 VanDerWaalsContact CE2-CD 3.43Å; F792-P833 HydrophobicContact CE2-CG 3.73Å; F792-P833 HydrophobicContact CZ-CG 4.14Å; G819-P833 CarbonylContact O-C 3.53Å; G819-P833 WeakPolarHBondContact O-CA 3.42Å; W820-P833 HydrophobicContact CD2-CG 4.41Å; W820-P833 HydrophobicContact CE3-CG 4.25Å; W820-P833 HydrophobicContact CH2-CG 4.09Å; W820-P833 HydrophobicContact CZ2-CG 4.23Å; W820-P833 HydrophobicContact CZ3-CG 4.1Å; P833-A835 PolarHBondContact O-N 2.98Å; P833-F836 HydrophobicContact CB-CD2 3.85Å; P833-F836 HydrophobicContact CB-CG 4.45Å; P833-F836 HydrophobicContact CG-CD2 4.19Å; P833-F836 WeakPolarHBondContact O-CB 3.5Å; P833-F836 PolarHBondContact O-N 3.33Å |
| 834 | E | 89.1 | Confident | 78 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -55.4 | -41 | 178.7 | -180 | 170.5 | -155.8 | 0 | 0 | 111.7 | G819 L821 F832 F836 A837 | G819-E834 PolarHBondContact O-N 2.81Å; L821-E834 HydrophobicContact CD1-CB 4.22Å; L821-E834 HydrophobicContact CD1-CG 4.05Å; L821-E834 HydrophobicContact CG-CB 4.07Å; L821-E834 HydrophobicContact CG-CG 4.27Å; F832-E834 PolarHBondContact O-N 3.03Å; E834-F836 PolarHBondContact O-N 3.32Å; E834-A837 PolarHBondContact O-N 2.99Å; E834-A837 VanDerWaalsContact O-N 3.07Å |
| 835 | A | 88.6 | Confident | 74.9 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -63.2 | -9.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P833 | P833-A835 PolarHBondContact O-N 2.98Š|
| 836 | F | 92.3 | Very high | 72.1 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -93.6 | -3.6 | 176.5 | -81.2 | -120.5 | 0 | 0 | 0 | 113.2 | A788 L789 Y790 E791 F792 F802 P833 E834 | A788-F836 CarbonylContact C-O 3.56Å; A788-F836 WeakPolarHBondContact CA-O 3.37Å; L789-F836 PolarHBondContact N-O 2.96Å; Y790-F836 HydrophobicContact CD2-CG 4.47Å; E791-F836 WeakPolarHBondContact O-CE1 3.44Å; F792-F836 HydrophobicContact CB-CD1 3.92Å; F792-F836 HydrophobicContact CD2-CD1 4.05Å; F792-F836 HydrophobicContact CD2-CE1 4.19Å; F792-F836 HydrophobicContact CG-CD1 4.4Å; F802-F836 HydrophobicContact CE2-CB 4.23Å; F802-F836 HydrophobicContact CZ-CB 4.06Å; P833-F836 HydrophobicContact CB-CD2 3.85Å; P833-F836 HydrophobicContact CB-CG 4.45Å; P833-F836 HydrophobicContact CG-CD2 4.19Å; P833-F836 WeakPolarHBondContact O-CB 3.5Å; P833-F836 PolarHBondContact O-N 3.33Å; E834-F836 PolarHBondContact O-N 3.32Å |
| 837 | A | 90.2 | Very high | 69.4 | Low | 5 Ų | 5 | 81.9 Ų | 81.9 | 4% | 0.041 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 139.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y786 R787 I808 F832 E834 | Y786-A837 HydrophobicContact CD1-CB 4.18Å; R787-A837 CarbonylContact O-C 3.5Å; R787-A837 WeakPolarHBondContact O-CA 3.49Å; R787-A837 WeakPolarHBondContact O-CB 3.3Å; I808-A837 HydrophobicContact CD1-CB 3.84Å; F832-A837 HydrophobicContact CE2-CB 3.76Å; E834-A837 PolarHBondContact O-N 2.99Å; E834-A837 VanDerWaalsContact O-N 3.07Å |
| 838 | E | 91.5 | Very high | 67.2 | Low | 66 Ų | 66 | 80.2 Ų | 80.2 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 149.6 | 171.9 | 62.4 | 175.8 | -130.4 | 0 | 0 | 111.6 | Y786 R787 L789 L840 | Y786-E838 CarbonylContact C-O 3.07Å; Y786-E838 WeakPolarHBondContact CA-O 3.31Å; Y786-E838 WeakPolarHBondContact CB-O 3.15Å; Y786-E838 VanDerWaalsContact CD1-C 3.42Å; Y786-E838 WeakPolarHBondContact CD1-O 3.34Å; R787-E838 HydrophobicContact CB-CG 3.86Å; R787-E838 VanDerWaalsContact CZ-CD 3.42Å; R787-E838 IonicContact CZ-OE1 3.35Å; R787-E838 IonicContact CZ-OE2 3.4Å; R787-E838 PolarHBondContact N-O 2.76Å; R787-E838 IonicContact NE-OE1 3.74Å; R787-E838 PolarHBondContact NE-OE1 3.22Å; R787-E838 IonicContact NE-OE2 3.29Å; R787-E838 IonicContact NH1-OE1 2.64Å; R787-E838 IonicContact NH2-OE1 3.77Å; R787-E838 PolarHBondContact NH2-OE1 2.84Å; R787-E838 IonicContact NH2-OE2 2.94Å; R787-E838 PolarHBondContact NH2-OE2 2.64Å; R787-E838 PolarHBondContact O-N 2.91Å; L789-E838 HydrophobicContact CD1-CB 4.36Å; L789-E838 HydrophobicContact CD2-CB 4.26Å; L789-E838 HydrophobicContact CD2-CG 4.04Å; L789-E838 WeakPolarHBondContact CD2-OE2 3.36Å; L789-E838 HydrophobicContact CG-CB 4.41Å; E838-L840 PolarHBondContact O-N 2.81Å |
| 839 | C | 86.8 | Confident | 64.7 | Low | 42 Ų | 42 | 85 Ų | 85 | 28% | 0.284 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.9 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | Y786 E841 | Y786-C839 HydrophobicContact CD1-CB 4.17Å; Y786-C839 HydrophobicContact CD2-CB 4.41Å; Y786-C839 HydrophobicContact CE1-CB 3.74Å; Y786-C839 HydrophobicContact CE2-CB 4.01Å; Y786-C839 HydrophobicContact CG-CB 4.49Å; C839-E841 VanDerWaalsContact C-N 3.29Å; C839-E841 PolarHBondContact O-N 2.86Å |
| 840 | L | 74.9 | Confident | 61.9 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 28% | 0.277 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -77.9 | -13.6 | 178.3 | -73.1 | 167.8 | 0 | 0 | 0 | 113.4 | R785 R787 I807 E838 S842 | R785-L840 HydrophobicContact CB-CB 4.22Å; R785-L840 HydrophobicContact CB-CD1 4.13Å; R785-L840 WeakPolarHBondContact O-CB 3.39Å; R785-L840 PolarHBondContact O-N 2.8Å; R787-L840 HydrophobicContact CB-CD1 3.93Å; R787-L840 HydrophobicContact CB-CD2 3.84Å; R787-L840 HydrophobicContact CB-CG 3.83Å; I807-L840 HydrophobicContact CD1-CD1 3.69Å; I807-L840 HydrophobicContact CG2-CD1 4.18Å; E838-L840 PolarHBondContact O-N 2.81Å; L840-S842 PolarHBondContact O-N 2.77Å |
| 841 | E | 62.4 | Low | 59.1 | Low | 89 Ų | 89 | 95 Ų | 95 | 42% | 0.416 | 51% | 0.514 | S | S | . | . | trans | -97.6 | 43.5 | 179.3 | -71.9 | 166.9 | -172.4 | 0 | 0 | 111.2 | V784 R785 C839 | V784-E841 HydrophobicContact CG1-CB 4.18Å; V784-E841 WeakPolarHBondContact CG1-OE2 3.44Å; R785-E841 IonicContact CZ-OE1 3.6Å; R785-E841 IonicContact NE-OE1 2.64Å; R785-E841 PolarHBondContact NE-OE1 3.27Å; R785-E841 IonicContact NH2-OE1 3.45Å; R785-E841 PolarHBondContact NH2-OE1 3.14Å; C839-E841 VanDerWaalsContact C-N 3.29Å; C839-E841 PolarHBondContact O-N 2.86Å | ||
| 842 | S | 37.4 | Very low | 56.2 | Low | 105 Ų | 105 | 95.4 Ų | 95.4 | 73% | 0.734 | 53% | 0.532 | S | S | * | . | trans | -109.6 | 72 | 165.4 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | L840 | L840-S842 PolarHBondContact O-N 2.77Š| ||
| 843 | V | 28.8 | Very low | 53.3 | Low | 129 Ų | 129 | 104 Ų | 104 | 78% | 0.782 | 57% | 0.573 | S | S | * | * | trans | -135 | 108.5 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 844 | A | 29.3 | Very low | 50.4 | Low | 81 Ų | 81 | 108.7 Ų | 108.7 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | trans | 49.3 | 106 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 845 | Q | 25.5 | Very low | 47.6 | Very low | 195 Ų | 195 | 112.1 Ų | 112.1 | 91% | 0.911 | 62% | 0.616 | S | S | * | * | -116.8 | 148.1 | 92 | -71.1 | -158 | -13 | 0 | 0 | 110 | |||||
| 846 | P | 28.2 | Very low | 45 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | trans | -100 | 152.1 | -163.7 | 7.4 | 14.4 | 0 | 0 | 0 | 112.4 | V848 | P846-V848 PolarHBondContact O-N 2.99Š| ||
| 847 | E | 23.7 | Very low | 42.1 | Very low | 196 Ų | 196 | 117.5 Ų | 117.5 | 92% | 0.916 | 64% | 0.639 | S | S | * | * | trans | -59.7 | 127.8 | 157.5 | -69.3 | -171.2 | 133.6 | 0 | 0 | 109.6 | K849 | E847-K849 PolarHBondContact O-N 3.31Š| ||
| 848 | V | 30.5 | Very low | 39.3 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | trans | -80 | 110.3 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 107.8 | P846 | P846-V848 PolarHBondContact O-N 2.99Š| ||
| 849 | K | 29.1 | Very low | 36.5 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | 39.4 | 125.8 | 148.2 | -51.3 | 173.2 | -176.2 | 175 | 0 | 115.7 | E847 | E847-K849 PolarHBondContact O-N 3.31Š| ||
| 850 | Q | 28.3 | Very low | 33.9 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | -159.1 | 142 | 62.8 | -84 | -177.2 | -88.2 | 0 | 0 | 112.8 | |||||
| 851 | D | 29.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 54.6 | 131.7 | 136.1 | -48.3 | -31.1 | 0 | 0 | 0 | 119.3 | ||||
| 852 | A | 31.6 | Very low | 30.2 | Very low | 80 Ų | 80 | 141 Ų | 141 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | cis | -158.2 | 159.9 | 9.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 853 | Q | 30.1 | Very low | 29.8 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | 34.7 | 132.9 | 140.3 | -56.3 | 171.8 | -1.7 | 0 | 0 | 119.1 | ||||
| 854 | V | 30.6 | Very low | 29.7 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | -159 | 143 | 54.1 | 170.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 855 | Q | 30.7 | Very low | 29.6 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -7.7 | 148.4 | 150.9 | -60.4 | 157 | -0.3 | 0 | 0 | 117.9 | ||||
| 856 | Q | 33.6 | Very low | 29.8 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | cis | -169 | -177.2 | 19.9 | -129.9 | -178.2 | 105.1 | 0 | 0 | 108.9 | ||||
| 857 | S | 31.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 142.6 Ų | 142.6 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | cis | -156.3 | -133.3 | 5.9 | 57 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 858 | H | 31.1 | Very low | 29.8 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | trans | -154.8 | -175.7 | -164.5 | -77.2 | -52 | 0 | 0 | 0 | 109.1 | ||||
| 859 | P | 33.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | cis | -154.3 | 159.7 | 23.3 | 44.5 | -22.5 | 0 | 0 | 0 | 122.6 | ||||
| 860 | V | 31.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | 62.9 | 153.4 | 133.7 | 174.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 861 | Q | 31.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | cis | -136.8 | 174.6 | 11.9 | -140.6 | 159.5 | -100.8 | 0 | 0 | 108.8 | ||||
| 862 | K | 28.9 | Very low | 29.9 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | cis | 72.5 | 142.5 | 23.1 | -90.2 | -146.1 | 173.2 | -148.3 | 0 | 116.4 | ||||
| 863 | L | 27 | Very low | 29.8 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 52% | 0.524 | 72% | 0.719 | S | S | . | * | cis | -172 | 165.6 | -16.7 | -164.4 | 58.3 | 0 | 0 | 0 | 109.4 | ||||
| 864 | E | 27 | Very low | 30 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | 64.2 | 160.2 | 159.8 | -81.8 | 136 | -160.6 | 0 | 0 | 117.7 | ||||
| 865 | S | 27.8 | Very low | 29.8 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | cis | -170.5 | -174 | -18.7 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 866 | I | 30.5 | Very low | 29.8 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | 95.6 | 148.8 | 161.4 | -62.8 | 161 | 0 | 0 | 0 | 118.3 | ||||
| 867 | N | 24.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | -97.9 | -172.9 | -160.2 | -144.4 | 29.3 | 0 | 0 | 0 | 112.6 | ||||
| 868 | E | 27 | Very low | 29.6 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 70.4 | 145.1 | 151.3 | -78.3 | 146.8 | -129.4 | 0 | 0 | 117.6 | ||||
| 869 | E | 27 | Very low | 29.6 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | cis | -168.6 | 179.7 | -8.3 | -136.7 | 178.5 | -161.2 | 0 | 0 | 111.5 | ||||
| 870 | S | 30 | Very low | 29.4 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | trans | 94 | 145.8 | 146.7 | -53.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 871 | F | 29 | Very low | 29.2 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 65.3 | 133.5 | 153 | -67.5 | -58.1 | 0 | 0 | 0 | 119.5 | ||||
| 872 | E | 33 | Very low | 29.1 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 61% | 0.612 | 73% | 0.73 | S | S | * | * | cis | -160.2 | 156.3 | 0.8 | -158.5 | 153.6 | -150.2 | 0 | 0 | 114 | ||||
| 873 | R | 30.4 | Very low | 29.1 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | trans | 5.7 | 166.5 | 155.1 | -62.8 | 163.1 | 177.5 | 138 | -5.3 | 122 | ||||
| 874 | E | 33.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -152.8 | 137.2 | 13.2 | -124.3 | 141.3 | -120.7 | 0 | 0 | 106.7 | ||||
| 875 | E | 27.8 | Very low | 29.4 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | 78.1 | 145.7 | 72 | -68.7 | -151.7 | 154.4 | 0 | 0 | 118.6 | |||||
| 876 | G | 30.9 | Very low | 29.8 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | 85.7 | 128 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 877 | G | 30.1 | Very low | 29.8 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | cis | 130.8 | 158.1 | 10.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 878 | A | 29.7 | Very low | 30.5 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | cis | -171.7 | 154.6 | -16.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 879 | I | 30.3 | Very low | 30.9 | Very low | 176 Ų | 176 | 131 Ų | 131 | 90% | 0.903 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 139.8 | 160.5 | -56.3 | 153.1 | 0 | 0 | 0 | 115.7 | ||||
| 880 | G | 30.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -179.2 | -159.9 | 4.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 881 | S | 27.8 | Very low | 31.3 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -175 | 160.4 | -18 | 43.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 882 | D | 29.1 | Very low | 31.5 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | 67.8 | 122.4 | 153.2 | -62.3 | -23.6 | 0 | 0 | 0 | 123.9 | ||||
| 883 | T | 28.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | 73.6 | 153 | 133 | 61.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 884 | S | 29.6 | Very low | 31.7 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -174.2 | 146.4 | -23.4 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 885 | R | 30.5 | Very low | 31.5 | Very low | 233 Ų | 233 | 121.1 Ų | 121.1 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 59.4 | -174.7 | 147.8 | -105 | 178.9 | 176.3 | 178.7 | -0.4 | 117 | ||||
| 886 | P | 37.2 | Very low | 31.5 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | -131.7 | 169.1 | -25.7 | 31.9 | -13.1 | 0 | 0 | 0 | 115.8 | ||||
| 887 | N | 29.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 39.2 | 145 | 141.7 | -61.8 | 7.4 | 0 | 0 | 0 | 125 | ||||
| 888 | A | 37.7 | Very low | 31.2 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -73.7 | -178.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 889 | P | 36.2 | Very low | 31.2 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | -137 | -175.7 | 116.6 | 39.6 | -28.9 | 0 | 0 | 0 | 114.4 | |||||
| 890 | A | 31.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -135 | 160.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 891 | A | 33.5 | Very low | 31.4 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -167 | 158.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 892 | S | 33.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | cis | -160.4 | -152.7 | -14 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 893 | A | 32.4 | Very low | 31.5 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -152.7 | -173.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 894 | P | 35.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | cis | -145 | 175.3 | 4 | 44.9 | -25.7 | 0 | 0 | 0 | 118.6 | ||||
| 895 | L | 29.3 | Very low | 31.5 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 49.9 | 131.4 | 141 | -70 | 166.8 | 0 | 0 | 0 | 124.9 | ||||
| 896 | S | 27.5 | Very low | 31.4 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 81.9 | 109 | 134.4 | -174.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 897 | G | 26.6 | Very low | 31.2 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 116.5 | 134.9 | 131.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 898 | G | 29.2 | Very low | 31.3 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 117.2 | 136.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 899 | A | 29.6 | Very low | 30.9 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -140.3 | -179.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 900 | P | 34.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -133.6 | -151.6 | -2.3 | 25.8 | 1 | 0 | 0 | 0 | 112.3 | ||||
| 901 | V | 29.6 | Very low | 30.5 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | trans | 93.5 | 105.1 | 154.3 | -177 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 902 | E | 28.5 | Very low | 30.5 | Very low | 180 Ų | 180 | 121.5 Ų | 121.5 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | 60.9 | 146.6 | 140.3 | -71.1 | 168.7 | -143.2 | 0 | 0 | 121.6 | ||||
| 903 | S | 30.7 | Very low | 30.8 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | cis | -162.2 | 160.7 | -4.8 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 904 | R | 29.7 | Very low | 32 | Very low | 234 Ų | 234 | 124 Ų | 124 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | 55.6 | 142.1 | 149.3 | -74.9 | 172.1 | 176.7 | 173.1 | -1 | 120.9 | ||||
| 905 | S | 28.4 | Very low | 33.9 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | cis | 176.9 | 154.7 | -22.6 | 40.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 906 | S | 29.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | 68.1 | 163.6 | 176.1 | 73.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 907 | V | 33 | Very low | 39.6 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | cis | -131.9 | 160.7 | 12 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 908 | D | 30.2 | Very low | 42.6 | Very low | 141 Ų | 141 | 112.1 Ų | 112.1 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | trans | -66.7 | 152.5 | 177.7 | -46.7 | -76.6 | 0 | 0 | 0 | 113.1 | ||||
| 909 | A | 29.7 | Very low | 45.6 | Very low | 90 Ų | 90 | 108.2 Ų | 108.2 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | cis | 75.5 | 88.8 | 39.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 910 | D | 29.6 | Very low | 48.3 | Very low | 133 Ų | 133 | 107 Ų | 107 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | 63.1 | 110.9 | 82.3 | -172.9 | 22.5 | 0 | 0 | 0 | 115.4 | T912 | D910-T912 PolarHBondContact OD1-N 2.83Å; D910-T912 PolarHBondContact OD1-OG1 2.82Å | |||
| 911 | T | 29.4 | Very low | 50.8 | Low | 143 Ų | 143 | 107.8 Ų | 107.8 | 88% | 0.877 | 59% | 0.585 | S | S | * | * | trans | -153.7 | 70.4 | 160.8 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | G913 | T911-G913 PolarHBondContact O-N 2.8Š| ||
| 912 | T | 33.3 | Very low | 53.6 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 73% | 0.73 | 58% | 0.583 | S | S | * | * | trans | -75.3 | 119.1 | 179.6 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | D910 R914 | D910-T912 PolarHBondContact OD1-N 2.83Å; D910-T912 PolarHBondContact OD1-OG1 2.82Å; T912-R914 PolarHBondContact O-N 2.86Å | ||
| 913 | G | 41.9 | Very low | 56.5 | Low | 64 Ų | 64 | 100.7 Ų | 100.7 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | trans | -66.1 | 121.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T911 L915 | T911-G913 PolarHBondContact O-N 2.8Å; G913-L915 PolarHBondContact O-N 3.26Å; G913-L915 VanDerWaalsContact O-N 3.1Å | ||
| 914 | R | 56.6 | Low | 59.2 | Low | 195 Ų | 195 | 105.3 Ų | 105.3 | 74% | 0.736 | 56% | 0.556 | S | S | * | * | trans | -73.7 | 98.6 | -175.4 | -63.2 | 177 | -177.6 | 169.9 | 1.2 | 112.9 | T912 F916 | T912-R914 PolarHBondContact O-N 2.86Å; R914-F916 HydrophobicContact CB-CE2 4.16Å | ||
| 915 | L | 76 | Confident | 61.7 | Low | 31 Ų | 31 | 95.2 Ų | 95.2 | 16% | 0.162 | 53% | 0.526 | C | S | . | . | trans | -84.5 | 150.8 | 172 | -76.9 | 167.9 | 0 | 0 | 0 | 112.4 | G913 I941 | G913-L915 PolarHBondContact O-N 3.26Å; G913-L915 VanDerWaalsContact O-N 3.1Å; L915-I941 HydrophobicContact CB-CB 3.89Å; L915-I941 HydrophobicContact CB-CG1 4.03Å; L915-I941 PolarHBondContact O-N 2.67Å | ||
| 916 | F | 87 | Confident | 64 | Low | 61 Ų | 61 | 98.8 Ų | 98.8 | 27% | 0.268 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.6 | 177.1 | -69.3 | -92.4 | 0 | 0 | 0 | 111.3 | R914 V938 I939 R940 N968 L971 | R914-F916 HydrophobicContact CB-CE2 4.16Å; F916-V938 HydrophobicContact CB-CG1 4.31Å; F916-V938 HydrophobicContact CD1-CG1 4.18Å; F916-I939 CarbonylContact C-O 3.53Å; F916-I939 VanDerWaalsContact CA-O 3.28Å; F916-I939 WeakPolarHBondContact CA-O 3.31Å; F916-R940 HydrophobicContact CD1-CB 3.89Å; F916-R940 HydrophobicContact CD1-CG 4.21Å; F916-R940 HydrophobicContact CE1-CB 3.64Å; F916-R940 HydrophobicContact CE1-CG 3.79Å; F916-R940 HydrophobicContact CZ-CB 4.33Å; F916-R940 HydrophobicContact CZ-CG 3.97Å; F916-N968 PolarHBondContact O-N 2.85Å; F916-L971 HydrophobicContact CB-CD1 3.65Å; F916-L971 HydrophobicContact CD2-CB 4.41Å; F916-L971 HydrophobicContact CD2-CD1 4.29Å; F916-L971 HydrophobicContact CG-CD1 3.95Å |
| 917 | A | 87.6 | Confident | 66.2 | Low | 0 Ų | 0 | 96.6 Ų | 96.6 | 0% | 0 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V938 I939 I941 W949 V965 K966 | A917-V938 WeakPolarHBondContact O-CA 3.23Å; A917-I939 PolarHBondContact N-O 3.16Å; A917-I939 PolarHBondContact O-N 3.19Å; A917-I941 HydrophobicContact CB-CD1 3.89Å; A917-I941 HydrophobicContact CB-CG1 4.44Å; A917-W949 HydrophobicContact CB-CZ3 4.15Å; A917-V965 HydrophobicContact CB-CB 3.89Å; A917-V965 HydrophobicContact CB-CG2 3.78Å; A917-K966 CarbonylContact C-O 3.49Å; A917-K966 WeakPolarHBondContact CA-O 3.44Å |
| 918 | R | 91.4 | Very high | 68.3 | Low | 135 Ų | 135 | 96.5 Ų | 96.5 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.1 | -179.2 | -173.3 | -179.1 | -172.7 | -169.1 | -0.6 | 110.7 | L920 S937 V938 V965 K966 N968 | R918-L920 PolarHBondContact O-N 2.96Å; R918-S937 CarbonylContact C-O 3.56Å; R918-S937 VanDerWaalsContact CA-O 3.3Å; R918-S937 WeakPolarHBondContact CA-O 3.23Å; R918-V938 HydrophobicContact CB-CG2 4.47Å; R918-V938 HydrophobicContact CG-CG2 4.3Å; R918-V965 CarbonylContact O-C 3.59Å; R918-V965 VanDerWaalsContact O-CA 3.29Å; R918-V965 WeakPolarHBondContact O-CA 3.32Å; R918-K966 PolarHBondContact N-O 3.18Å; R918-K966 PolarHBondContact O-N 2.87Å; R918-N968 WeakPolarHBondContact CB-OD1 3.09Å |
| 919 | A | 91.3 | Very high | 70.7 | Confident | 4 Ų | 4 | 95.4 Ų | 95.4 | 3% | 0.033 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 126.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | F933 S934 G936 S937 Y964 | A919-F933 HydrophobicContact CB-CD2 3.33Å; A919-F933 HydrophobicContact CB-CE2 3.44Å; A919-F933 VanDerWaalsContact CB-CE2 3.44Å; A919-F933 HydrophobicContact CB-CG 4.32Å; A919-F933 HydrophobicContact CB-CZ 4.48Å; A919-S934 VanDerWaalsContact CB-O 3.27Å; A919-S934 WeakPolarHBondContact CB-O 3.35Å; A919-G936 PolarHBondContact O-N 2.89Å; A919-S937 PolarHBondContact N-O 3.12Å; A919-Y964 CarbonylContact C-O 3.56Å; A919-Y964 WeakPolarHBondContact CA-O 3.17Å |
| 920 | L | 86.2 | Confident | 73.7 | Confident | 71 Ų | 71 | 92.9 Ų | 92.9 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -86.1 | -25.8 | 173.7 | -63.4 | 179.8 | 0 | 0 | 0 | 112.3 | R918 K935 Y964 K966 | R918-L920 PolarHBondContact O-N 2.96Å; L920-K935 WeakPolarHBondContact O-CD 3.28Å; L920-K935 WeakPolarHBondContact O-CE 3.22Å; L920-K935 VanDerWaalsContact O-CG 3.27Å; L920-K935 WeakPolarHBondContact O-CG 3.36Å; L920-K935 PolarHBondContact O-NZ 2.82Å; L920-Y964 PolarHBondContact N-O 2.82Å; L920-K966 HydrophobicContact CD1-CB 4.17Å; L920-K966 HydrophobicContact CD2-CB 3.93Å; L920-K966 HydrophobicContact CG-CB 4.12Å |
| 921 | Y | 86.2 | Confident | 76.7 | Confident | 133 Ų | 133 | 86.7 Ų | 86.7 | 52% | 0.522 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -139.4 | 166.5 | -175.2 | -56.6 | -73.5 | 0 | 0 | 0 | 111.2 | K935 | Y921-K935 PolarHBondContact O-N 3.5Š|
| 922 | N | 88.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 82.9 Ų | 82.9 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | trans | -76 | 121.6 | 170.3 | -65.3 | -29.8 | 0 | 0 | 0 | 109.2 | S934 K935 Y964 | N922-S934 VanDerWaalsContact OD1-CA 3.31Å; N922-S934 WeakPolarHBondContact OD1-CA 3.29Å; N922-K935 PolarHBondContact OD1-N 2.9Å; N922-Y964 WeakPolarHBondContact O-CE1 3.34Å | ||
| 923 | W | 89.5 | Confident | 82.4 | Confident | 24 Ų | 24 | 78 Ų | 78 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 128.8 | 175.2 | 178.4 | -118.4 | 0 | 0 | 0 | 110.9 | K926 L931 S932 F933 W948 P961 Y964 | W923-K926 HydrophobicContact CH2-CD 4.44Å; W923-K926 HydrophobicContact CH2-CG 4.33Å; W923-L931 PolarHBondContact NE1-O 3.1Å; W923-L931 VanDerWaalsContact NE1-O 3.07Å; W923-S932 WeakPolarHBondContact O-CA 3.16Å; W923-F933 HydrophobicContact CB-CD1 4.18Å; W923-F933 HydrophobicContact CB-CD2 3.8Å; W923-F933 HydrophobicContact CB-CE1 3.85Å; W923-F933 HydrophobicContact CB-CE2 3.43Å; W923-F933 VanDerWaalsContact CB-CE2 3.43Å; W923-F933 HydrophobicContact CB-CG 4.18Å; W923-F933 HydrophobicContact CB-CZ 3.47Å; W923-F933 VanDerWaalsContact CB-CZ 3.47Å; W923-F933 AromaticContact CD1-CE1 3.67Å; W923-F933 HydrophobicContact CG-CE1 4.09Å; W923-F933 HydrophobicContact CG-CE2 4.43Å; W923-F933 HydrophobicContact CG-CZ 4.01Å; W923-F933 PolarHBondContact N-O 3.32Å; W923-F933 PolarHBondContact O-N 3.43Å; W923-W948 HydrophobicContact CH2-CH2 4.26Å; W923-W948 AromaticContact CZ2-CH2 3.73Å; W923-W948 HydrophobicContact CZ2-CH2 3.73Å; W923-W948 AromaticContact CZ2-CZ3 3.92Å; W923-W948 HydrophobicContact CZ2-CZ3 3.92Å; W923-P961 HydrophobicContact CD2-CG 4.2Å; W923-P961 HydrophobicContact CE3-CG 4.18Å; W923-P961 HydrophobicContact CH2-CG 3.61Å; W923-P961 VanDerWaalsContact CZ2-CD 3.42Å; W923-P961 HydrophobicContact CZ2-CG 3.63Å; W923-P961 HydrophobicContact CZ3-CG 3.9Å; W923-Y964 HydrophobicContact CB-CD1 3.64Å; W923-Y964 HydrophobicContact CB-CE1 4.28Å; W923-Y964 HydrophobicContact CB-CG 4.18Å; W923-Y964 HydrophobicContact CD2-CD1 4.35Å; W923-Y964 HydrophobicContact CD2-CG 4.47Å; W923-Y964 AromaticContact CE3-CD1 3.91Å; W923-Y964 HydrophobicContact CE3-CD1 3.91Å; W923-Y964 HydrophobicContact CE3-CD2 4.15Å; W923-Y964 AromaticContact CE3-CE1 3.68Å; W923-Y964 HydrophobicContact CE3-CE1 3.68Å; W923-Y964 AromaticContact CE3-CE2 3.94Å; W923-Y964 HydrophobicContact CE3-CE2 3.94Å; W923-Y964 HydrophobicContact CE3-CG 4.14Å; W923-Y964 AromaticContact CE3-CZ 3.69Å; W923-Y964 HydrophobicContact CG-CD1 4.27Å; W923-Y964 HydrophobicContact CG-CG 4.49Å; W923-Y964 HydrophobicContact CZ3-CE1 4.49Å; W923-Y964 HydrophobicContact CZ3-CE2 4.14Å |
| 924 | K | 87.6 | Confident | 84.8 | Confident | 184 Ų | 184 | 78.1 Ų | 78.1 | 80% | 0.8 | 37% | 0.374 | S | S | * | . | trans | -115.9 | 114.7 | 176.8 | -155.8 | 175.3 | -175.9 | -177 | 0 | 108.4 | K926 | K924-K926 PolarHBondContact O-N 2.91Š| ||
| 925 | G | 83.3 | Confident | 86.3 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | trans | -61.6 | 125.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T927 S932 | G925-T927 VanDerWaalsContact C-N 3.32Å; G925-S932 WeakPolarHBondContact CA-OG 3.33Å; G925-S932 PolarHBondContact N-OG 2.94Å | ||
| 926 | K | 75.1 | Confident | 86.7 | Confident | 168 Ų | 168 | 75.4 Ų | 75.4 | 73% | 0.73 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -77.3 | -10.4 | 179.7 | -59.5 | -174.8 | 178.6 | -177.8 | 0 | 115.1 | W923 K924 H930 | W923-K926 HydrophobicContact CH2-CD 4.44Å; W923-K926 HydrophobicContact CH2-CG 4.33Å; K924-K926 PolarHBondContact O-N 2.91Å; K926-H930 PolarHBondContact N-ND1 3.17Å |
| 927 | T | 76.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -145 | 168 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 108.4 | G925 N929 H930 | G925-T927 VanDerWaalsContact C-N 3.32Å; T927-N929 PolarHBondContact O-N 3.4Å; T927-N929 PolarHBondContact OG1-N 2.87Å; T927-H930 PolarHBondContact N-ND1 3.13Å; T927-H930 VanDerWaalsContact N-ND1 3.15Å; T927-H930 WeakPolarHBondContact O-CB 3.23Å; T927-H930 PolarHBondContact O-N 2.88Å; T927-H930 PolarHBondContact OG1-CD2 3.35Å; T927-H930 PolarHBondContact OG1-CE1 3.4Å; T927-H930 VanDerWaalsContact OG1-CE1 3.28Å; T927-H930 PolarHBondContact OG1-N 3.26Å; T927-H930 PolarHBondContact OG1-ND1 3.16Å; T927-H930 PolarHBondContact OG1-NE2 3.45Å; T927-H930 VanDerWaalsContact OG1-NE2 3.11Å |
| 928 | E | 76.6 | Confident | 87 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.9 | 176.2 | -64.7 | 166 | -135.8 | 0 | 0 | 112 | E726 T727 H930 | E726-E928 VanDerWaalsContact C-OE2 3.3Å; E726-E928 WeakPolarHBondContact CA-OE1 3.43Å; E726-E928 PolarHBondContact N-OE1 3.17Å; T727-E928 PolarHBondContact N-OE2 3.32Å; E928-H930 PolarHBondContact O-N 3.09Å; E928-H930 VanDerWaalsContact O-N 3.15Å |
| 929 | N | 81.9 | Confident | 87 | Confident | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.9 | 170.5 | -54 | 6.2 | 0 | 0 | 0 | 112.4 | T927 G958 W959 | T927-N929 PolarHBondContact O-N 3.4Å; T927-N929 PolarHBondContact OG1-N 2.87Å; N929-G958 CarbonylContact O-C 3.52Å; N929-G958 VanDerWaalsContact O-CA 3.29Å; N929-G958 WeakPolarHBondContact O-CA 3.43Å; N929-W959 PolarHBondContact O-N 3.12Å |
| 930 | H | 92 | Very high | 86.9 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 128 | -177.3 | -59.1 | 163.4 | 0 | 0 | 0 | 112.7 | K926 T927 E928 W948 W959 | K926-H930 PolarHBondContact N-ND1 3.17Å; T927-H930 PolarHBondContact N-ND1 3.13Å; T927-H930 VanDerWaalsContact N-ND1 3.15Å; T927-H930 WeakPolarHBondContact O-CB 3.23Å; T927-H930 PolarHBondContact O-N 2.88Å; T927-H930 PolarHBondContact OG1-CD2 3.35Å; T927-H930 PolarHBondContact OG1-CE1 3.4Å; T927-H930 VanDerWaalsContact OG1-CE1 3.28Å; T927-H930 PolarHBondContact OG1-N 3.26Å; T927-H930 PolarHBondContact OG1-ND1 3.16Å; T927-H930 PolarHBondContact OG1-NE2 3.45Å; T927-H930 VanDerWaalsContact OG1-NE2 3.11Å; E928-H930 PolarHBondContact O-N 3.09Å; E928-H930 VanDerWaalsContact O-N 3.15Å; H930-W948 HydrophobicContact CB-CZ3 4.42Å; H930-W948 AromaticContact CD2-CH2 3.96Å; H930-W948 AromaticContact CD2-CZ3 3.56Å; H930-W948 AromaticContact CE1-CH2 3.4Å; H930-W948 WeakPolarHBondContact CE1-CH2 3.18Å; H930-W948 AromaticContact CE1-CZ3 3.82Å; H930-W948 AromaticContact CG-CZ3 3.69Å; H930-W948 AromaticContact ND1-CH2 3.66Å; H930-W948 AromaticContact ND1-CZ3 3.85Å; H930-W948 AromaticContact NE2-CH2 3.62Å; H930-W948 AromaticContact NE2-CZ3 3.68Å; H930-W959 CarbonylContact C-O 3.54Å; H930-W959 WeakPolarHBondContact CA-O 3.21Å; H930-W959 WeakPolarHBondContact CB-O 3.43Å |
| 931 | L | 91.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | trans | -66.7 | 146 | 172.1 | -163.4 | 65.7 | 0 | 0 | 0 | 110.2 | W923 F933 I939 L953 K956 W959 F960 | W923-L931 PolarHBondContact NE1-O 3.1Å; W923-L931 VanDerWaalsContact NE1-O 3.07Å; L931-F933 HydrophobicContact CD2-CD1 4.39Å; L931-F933 HydrophobicContact CG-CD1 4.44Å; L931-I939 HydrophobicContact CD2-CD1 4.15Å; L931-I939 HydrophobicContact CD2-CG1 4.26Å; L931-I939 HydrophobicContact CD2-CG2 3.49Å; L931-I939 VanDerWaalsContact CD2-CG2 3.49Å; L931-L953 HydrophobicContact CD1-CB 4.11Å; L931-L953 HydrophobicContact CD2-CB 3.9Å; L931-L953 HydrophobicContact CG-CB 4.29Å; L931-K956 HydrophobicContact CD1-CB 3.79Å; L931-K956 WeakPolarHBondContact CD1-O 3.43Å; L931-W959 PolarHBondContact N-O 3.32Å; L931-F960 HydrophobicContact CB-CB 4.42Å; L931-F960 HydrophobicContact CB-CD1 3.86Å; L931-F960 HydrophobicContact CD2-CD1 3.68Å; L931-F960 HydrophobicContact CD2-CE1 3.85Å; L931-F960 HydrophobicContact CG-CD1 4.42Å | ||
| 932 | S | 90.9 | Very high | 87.1 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | trans | -122.6 | 138.3 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | W923 G925 | W923-S932 WeakPolarHBondContact O-CA 3.16Å; G925-S932 WeakPolarHBondContact CA-OG 3.33Å; G925-S932 PolarHBondContact N-OG 2.94Å | ||
| 933 | F | 93 | Very high | 86.9 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -158 | 158.4 | -174.8 | 55 | -105.2 | 0 | 0 | 0 | 113.7 | A919 W923 L931 I939 L953 F960 V965 | A919-F933 HydrophobicContact CB-CD2 3.33Å; A919-F933 HydrophobicContact CB-CE2 3.44Å; A919-F933 VanDerWaalsContact CB-CE2 3.44Å; A919-F933 HydrophobicContact CB-CG 4.32Å; A919-F933 HydrophobicContact CB-CZ 4.48Å; W923-F933 HydrophobicContact CB-CD1 4.18Å; W923-F933 HydrophobicContact CB-CD2 3.8Å; W923-F933 HydrophobicContact CB-CE1 3.85Å; W923-F933 HydrophobicContact CB-CE2 3.43Å; W923-F933 VanDerWaalsContact CB-CE2 3.43Å; W923-F933 HydrophobicContact CB-CG 4.18Å; W923-F933 HydrophobicContact CB-CZ 3.47Å; W923-F933 VanDerWaalsContact CB-CZ 3.47Å; W923-F933 AromaticContact CD1-CE1 3.67Å; W923-F933 HydrophobicContact CG-CE1 4.09Å; W923-F933 HydrophobicContact CG-CE2 4.43Å; W923-F933 HydrophobicContact CG-CZ 4.01Å; W923-F933 PolarHBondContact N-O 3.32Å; W923-F933 PolarHBondContact O-N 3.43Å; L931-F933 HydrophobicContact CD2-CD1 4.39Å; L931-F933 HydrophobicContact CG-CD1 4.44Å; F933-I939 HydrophobicContact CD1-CD1 3.41Å; F933-I939 VanDerWaalsContact CD1-CD1 3.41Å; F933-I939 HydrophobicContact CD1-CG1 4.46Å; F933-I939 HydrophobicContact CD2-CD1 4.43Å; F933-I939 HydrophobicContact CE1-CD1 3.42Å; F933-I939 VanDerWaalsContact CE1-CD1 3.42Å; F933-I939 HydrophobicContact CE2-CD1 4.46Å; F933-I939 HydrophobicContact CG-CD1 3.93Å; F933-I939 HydrophobicContact CZ-CD1 3.98Å; F933-L953 HydrophobicContact CB-CD2 3.47Å; F933-L953 VanDerWaalsContact CB-CD2 3.47Å; F933-F960 HydrophobicContact CE1-CB 3.55Å; F933-F960 HydrophobicContact CE1-CD1 4.2Å; F933-F960 AromaticContact CE1-CD2 3.82Å; F933-F960 HydrophobicContact CE1-CD2 3.82Å; F933-F960 AromaticContact CE1-CG 3.58Å; F933-F960 HydrophobicContact CE1-CG 3.58Å; F933-F960 HydrophobicContact CZ-CB 4.22Å; F933-F960 HydrophobicContact CZ-CD2 4.07Å; F933-F960 HydrophobicContact CZ-CG 4.26Å; F933-V965 HydrophobicContact CE1-CG1 4.4Å; F933-V965 HydrophobicContact CE2-CG1 4.22Å; F933-V965 HydrophobicContact CZ-CG1 3.73Å |
| 934 | S | 91.1 | Very high | 86.6 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | trans | -95.2 | 157.2 | 171.3 | 55 | 0 | 0 | 0 | 0 | 112 | A919 N922 G936 S937 | A919-S934 VanDerWaalsContact CB-O 3.27Å; A919-S934 WeakPolarHBondContact CB-O 3.35Å; N922-S934 VanDerWaalsContact OD1-CA 3.31Å; N922-S934 WeakPolarHBondContact OD1-CA 3.29Å; S934-G936 PolarHBondContact O-N 2.86Å; S934-S937 PolarHBondContact N-OG 2.92Å; S934-S937 VanDerWaalsContact O-CB 3.23Å; S934-S937 WeakPolarHBondContact O-CB 3.3Å; S934-S937 PolarHBondContact O-N 3.32Å; S934-S937 PolarHBondContact O-OG 3.19Å; S934-S937 PolarHBondContact OG-OG 3Å | ||
| 935 | K | 89.2 | Confident | 86.2 | Confident | 139 Ų | 139 | 65.3 Ų | 65.3 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 126.5 | 170.4 | 176.8 | 166.2 | -172.8 | 159.4 | 0 | 110 | L920 Y921 N922 | L920-K935 WeakPolarHBondContact O-CD 3.28Å; L920-K935 WeakPolarHBondContact O-CE 3.22Å; L920-K935 VanDerWaalsContact O-CG 3.27Å; L920-K935 WeakPolarHBondContact O-CG 3.36Å; L920-K935 PolarHBondContact O-NZ 2.82Å; Y921-K935 PolarHBondContact O-N 3.5Å; N922-K935 PolarHBondContact OD1-N 2.9Å |
| 936 | G | 84.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -15.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A919 S934 | A919-G936 PolarHBondContact O-N 2.89Å; S934-G936 PolarHBondContact O-N 2.86Å |
| 937 | S | 90.1 | Very high | 85.7 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | trans | -57.1 | 142.6 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | R918 A919 S934 | R918-S937 CarbonylContact C-O 3.56Å; R918-S937 VanDerWaalsContact CA-O 3.3Å; R918-S937 WeakPolarHBondContact CA-O 3.23Å; A919-S937 PolarHBondContact N-O 3.12Å; S934-S937 PolarHBondContact N-OG 2.92Å; S934-S937 VanDerWaalsContact O-CB 3.23Å; S934-S937 WeakPolarHBondContact O-CB 3.3Å; S934-S937 PolarHBondContact O-N 3.32Å; S934-S937 PolarHBondContact O-OG 3.19Å; S934-S937 PolarHBondContact OG-OG 3Å | ||
| 938 | V | 90.3 | Very high | 86.1 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.7 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 110 | F916 A917 R918 L953 L971 | F916-V938 HydrophobicContact CB-CG1 4.31Å; F916-V938 HydrophobicContact CD1-CG1 4.18Å; A917-V938 WeakPolarHBondContact O-CA 3.23Å; R918-V938 HydrophobicContact CB-CG2 4.47Å; R918-V938 HydrophobicContact CG-CG2 4.3Å; V938-L953 WeakPolarHBondContact O-CD1 3.33Å; V938-L971 HydrophobicContact CG1-CD1 4.16Å |
| 939 | I | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.7 | -169.8 | -52.1 | 166 | 0 | 0 | 0 | 108.5 | F916 A917 L931 F933 L953 F960 V965 | F916-I939 CarbonylContact C-O 3.53Å; F916-I939 VanDerWaalsContact CA-O 3.28Å; F916-I939 WeakPolarHBondContact CA-O 3.31Å; A917-I939 PolarHBondContact N-O 3.16Å; A917-I939 PolarHBondContact O-N 3.19Å; L931-I939 HydrophobicContact CD2-CD1 4.15Å; L931-I939 HydrophobicContact CD2-CG1 4.26Å; L931-I939 HydrophobicContact CD2-CG2 3.49Å; L931-I939 VanDerWaalsContact CD2-CG2 3.49Å; F933-I939 HydrophobicContact CD1-CD1 3.41Å; F933-I939 VanDerWaalsContact CD1-CD1 3.41Å; F933-I939 HydrophobicContact CD1-CG1 4.46Å; F933-I939 HydrophobicContact CD2-CD1 4.43Å; F933-I939 HydrophobicContact CE1-CD1 3.42Å; F933-I939 VanDerWaalsContact CE1-CD1 3.42Å; F933-I939 HydrophobicContact CE2-CD1 4.46Å; F933-I939 HydrophobicContact CG-CD1 3.93Å; F933-I939 HydrophobicContact CZ-CD1 3.98Å; I939-L953 HydrophobicContact CG1-CB 4.31Å; I939-L953 HydrophobicContact CG1-CD1 4.41Å; I939-F960 HydrophobicContact CB-CZ 4.44Å; I939-F960 HydrophobicContact CD1-CD1 4.46Å; I939-F960 HydrophobicContact CD1-CE1 4.15Å; I939-F960 HydrophobicContact CD1-CE2 4.21Å; I939-F960 HydrophobicContact CD1-CZ 4.01Å; I939-F960 HydrophobicContact CG2-CE1 3.66Å; I939-F960 HydrophobicContact CG2-CZ 3.91Å; I939-V965 HydrophobicContact CD1-CG1 3.87Å |
| 940 | R | 89.6 | Confident | 87.3 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.1 | 171.2 | -169.9 | 177.1 | 90.4 | -121 | -2.7 | 108.8 | F916 L942 G951 E952 | F916-R940 HydrophobicContact CD1-CB 3.89Å; F916-R940 HydrophobicContact CD1-CG 4.21Å; F916-R940 HydrophobicContact CE1-CB 3.64Å; F916-R940 HydrophobicContact CE1-CG 3.79Å; F916-R940 HydrophobicContact CZ-CB 4.33Å; F916-R940 HydrophobicContact CZ-CG 3.97Å; R940-L942 VanDerWaalsContact NH2-CD2 3.33Å; R940-G951 CarbonylContact O-C 3.59Å; R940-G951 WeakPolarHBondContact O-CA 3.47Å; R940-E952 HydrophobicContact CB-CB 4.34Å; R940-E952 IonicContact CZ-OE1 2.66Å; R940-E952 IonicContact CZ-OE2 3.62Å; R940-E952 PolarHBondContact N-O 2.88Å; R940-E952 IonicContact NH1-OE1 3.18Å; R940-E952 PolarHBondContact NH1-OE1 3.2Å; R940-E952 IonicContact NH1-OE2 3.78Å; R940-E952 VanDerWaalsContact NH2-CD 3.32Å; R940-E952 IonicContact NH2-OE1 3.96Å; R940-E952 PolarHBondContact NH2-OE1 3.31Å; R940-E952 IonicContact NH2-OE2 2.69Å; R940-E952 PolarHBondContact NH2-OE2 3.45Å; R940-E952 PolarHBondContact O-N 3.16Å |
| 941 | I | 90.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 141.9 | 176.8 | -50.5 | -56.2 | 0 | 0 | 0 | 109.2 | L915 A917 Q944 W949 F960 | L915-I941 HydrophobicContact CB-CB 3.89Å; L915-I941 HydrophobicContact CB-CG1 4.03Å; L915-I941 PolarHBondContact O-N 2.67Å; A917-I941 HydrophobicContact CB-CD1 3.89Å; A917-I941 HydrophobicContact CB-CG1 4.44Å; I941-Q944 HydrophobicContact CG2-CG 3.51Å; I941-W949 HydrophobicContact CD1-CB 4.49Å; I941-W949 HydrophobicContact CD1-CE3 3.85Å; I941-F960 HydrophobicContact CD1-CZ 3.75Å |
| 942 | L | 85.4 | Confident | 87.2 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -39.2 | 179.2 | -60 | 177.6 | 0 | 0 | 0 | 112.4 | R940 K950 E952 Q957 | R940-L942 VanDerWaalsContact NH2-CD2 3.33Å; L942-K950 PolarHBondContact N-O 3.05Å; L942-E952 HydrophobicContact CD1-CB 4.1Å; L942-E952 HydrophobicContact CD2-CB 4.41Å; L942-E952 HydrophobicContact CG-CB 4.32Å; L942-Q957 HydrophobicContact CD1-CB 4.04Å; L942-Q957 HydrophobicContact CD1-CG 3.61Å |
| 943 | E | 84.6 | Confident | 87 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 135.5 | -174.2 | -153.6 | -177.1 | 128.4 | 0 | 0 | 106.9 | K950 W959 | E943-K950 HydrophobicContact CB-CB 3.58Å; E943-K950 HydrophobicContact CB-CD 3.72Å; E943-K950 HydrophobicContact CB-CG 4.33Å; E943-K950 HydrophobicContact CG-CD 4.45Å; E943-K950 PolarHBondContact N-O 3.34Å; E943-K950 PolarHBondContact O-N 2.82Å; E943-K950 WeakPolarHBondContact OE2-CD 3.26Å; E943-K950 WeakPolarHBondContact OE2-CE 3.48Å; E943-K950 IonicContact OE2-NZ 2.72Å; E943-K950 PolarHBondContact OE2-NZ 3.02Å; E943-W959 HydrophobicContact CB-CH2 3.96Å; E943-W959 HydrophobicContact CG-CH2 3.92Å; E943-W959 HydrophobicContact CG-CZ2 4.49Å; E943-W959 WeakPolarHBondContact OE1-CH2 3.32Å; E943-W959 VanDerWaalsContact OE1-CZ2 3.23Å; E943-W959 WeakPolarHBondContact OE1-CZ2 3.27Å |
| 944 | Q | 84.5 | Confident | 86.5 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 46% | 0.458 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.8 | -177.5 | -65.7 | -177.6 | 104.3 | 0 | 0 | 109.3 | I941 W949 | I941-Q944 HydrophobicContact CG2-CG 3.51Å; Q944-W949 HydrophobicContact CG-CG 4.36Å |
| 945 | Q | 79 | Confident | 85.9 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | trans | -123.5 | 166.1 | 164.5 | -60.7 | 175.8 | 3.7 | 0 | 0 | 108.1 | M947 W948 W949 W959 | Q945-M947 PolarHBondContact O-N 3.32Å; Q945-W948 CarbonylContact C-O 3.55Å; Q945-W948 WeakPolarHBondContact CA-O 3.47Å; Q945-W948 WeakPolarHBondContact CB-O 3.45Å; Q945-W948 PolarHBondContact N-O 3.24Å; Q945-W949 VanDerWaalsContact O-CD1 3.3Å; Q945-W949 PolarHBondContact O-NE1 3.24Å; Q945-W959 HydrophobicContact CB-CZ3 4.11Å; Q945-W959 HydrophobicContact CG-CH2 3.66Å; Q945-W959 HydrophobicContact CG-CZ3 3.68Å | ||
| 946 | E | 69.1 | Low | 85.5 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -46.7 | -56.8 | -171.1 | -68.3 | -177.3 | -165.6 | 0 | 0 | 114.9 | L706 Q709 K962 | L706-E946 HydrophobicContact CD2-CB 3.59Å; L706-E946 HydrophobicContact CD2-CG 3.55Å; L706-E946 HydrophobicContact CG-CB 4.48Å; L706-E946 HydrophobicContact CG-CG 3.94Å; Q709-E946 PolarHBondContact NE2-OE1 3.43Å; Q709-E946 PolarHBondContact OE1-OE2 3.07Å; E946-K962 WeakPolarHBondContact O-CD 3.46Å |
| 947 | M | 77.4 | Confident | 85.7 | Confident | 101 Ų | 101 | 65.1 Ų | 65.1 | 50% | 0.498 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -103.9 | -21.2 | -173.7 | -71.1 | -69.1 | 176.7 | 0 | 0 | 113 | Q945 P961 K962 | Q945-M947 PolarHBondContact O-N 3.32Å; M947-P961 CarbonylContact O-C 3.59Å; M947-P961 VanDerWaalsContact O-CA 3.29Å; M947-P961 WeakPolarHBondContact O-CA 3.23Å; M947-K962 PolarHBondContact O-N 3.46Å |
| 948 | W | 85 | Confident | 85.6 | Confident | 78 Ų | 78 | 64.3 Ų | 64.3 | 30% | 0.295 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.2 | -176.2 | -69.6 | 85 | 0 | 0 | 0 | 110.2 | W923 H930 Q945 W959 F960 P961 | W923-W948 HydrophobicContact CH2-CH2 4.26Å; W923-W948 AromaticContact CZ2-CH2 3.73Å; W923-W948 HydrophobicContact CZ2-CH2 3.73Å; W923-W948 AromaticContact CZ2-CZ3 3.92Å; W923-W948 HydrophobicContact CZ2-CZ3 3.92Å; H930-W948 HydrophobicContact CB-CZ3 4.42Å; H930-W948 AromaticContact CD2-CH2 3.96Å; H930-W948 AromaticContact CD2-CZ3 3.56Å; H930-W948 AromaticContact CE1-CH2 3.4Å; H930-W948 WeakPolarHBondContact CE1-CH2 3.18Å; H930-W948 AromaticContact CE1-CZ3 3.82Å; H930-W948 AromaticContact CG-CZ3 3.69Å; H930-W948 AromaticContact ND1-CH2 3.66Å; H930-W948 AromaticContact ND1-CZ3 3.85Å; H930-W948 AromaticContact NE2-CH2 3.62Å; H930-W948 AromaticContact NE2-CZ3 3.68Å; Q945-W948 CarbonylContact C-O 3.55Å; Q945-W948 WeakPolarHBondContact CA-O 3.47Å; Q945-W948 WeakPolarHBondContact CB-O 3.45Å; Q945-W948 PolarHBondContact N-O 3.24Å; W948-W959 HydrophobicContact CB-CE3 3.85Å; W948-W959 HydrophobicContact CE3-CB 3.75Å; W948-W959 HydrophobicContact CZ3-CB 4.39Å; W948-W959 WeakPolarHBondContact O-CZ3 3.47Å; W948-F960 CarbonylContact C-O 3.59Å; W948-F960 VanDerWaalsContact CA-O 3.31Å; W948-F960 WeakPolarHBondContact CA-O 3.01Å; W948-F960 VanDerWaalsContact CE3-C 3.43Å; W948-F960 VanDerWaalsContact CE3-CA 3.49Å; W948-P961 HydrophobicContact CE3-CG 4.37Å; W948-P961 HydrophobicContact CH2-CG 4.19Å; W948-P961 HydrophobicContact CZ2-CG 4.43Å; W948-P961 HydrophobicContact CZ3-CG 4.16Å |
| 949 | W | 92.5 | Very high | 85.7 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.2 | 171.2 | -69.6 | -12.6 | 0 | 0 | 0 | 109.7 | A917 I941 Q944 Q945 W959 F960 K962 V965 I967 | A917-W949 HydrophobicContact CB-CZ3 4.15Å; I941-W949 HydrophobicContact CD1-CB 4.49Å; I941-W949 HydrophobicContact CD1-CE3 3.85Å; Q944-W949 HydrophobicContact CG-CG 4.36Å; Q945-W949 VanDerWaalsContact O-CD1 3.3Å; Q945-W949 PolarHBondContact O-NE1 3.24Å; W949-W959 VanDerWaalsContact C-CE3 3.46Å; W949-W959 CarbonylContact O-C 3.58Å; W949-W959 VanDerWaalsContact O-CA 3.29Å; W949-W959 WeakPolarHBondContact O-CA 3.34Å; W949-F960 HydrophobicContact CB-CE1 4.33Å; W949-F960 HydrophobicContact CB-CE2 3.87Å; W949-F960 HydrophobicContact CB-CZ 3.78Å; W949-F960 HydrophobicContact CE3-CE2 4.18Å; W949-F960 PolarHBondContact N-O 3.46Å; W949-F960 WeakPolarHBondContact O-CD1 3.08Å; W949-F960 VanDerWaalsContact O-CE1 3.25Å; W949-F960 WeakPolarHBondContact O-CE1 3.47Å; W949-F960 PolarHBondContact O-N 3.23Å; W949-K962 HydrophobicContact CD2-CB 4.32Å; W949-K962 HydrophobicContact CD2-CG 4.25Å; W949-K962 HydrophobicContact CH2-CD 4.36Å; W949-K962 HydrophobicContact CH2-CG 3.94Å; W949-K962 HydrophobicContact CZ2-CD 3.61Å; W949-K962 HydrophobicContact CZ2-CG 3.61Å; W949-K962 HydrophobicContact CZ3-CG 4.41Å; W949-V965 HydrophobicContact CE3-CG2 3.65Å; W949-V965 HydrophobicContact CZ3-CG2 3.51Å; W949-I967 HydrophobicContact CH2-CD1 3.63Å; W949-I967 HydrophobicContact CH2-CG1 3.57Å; W949-I967 HydrophobicContact CZ2-CD1 4.33Å; W949-I967 HydrophobicContact CZ3-CD1 4.26Å; W949-I967 HydrophobicContact CZ3-CG1 3.77Å |
| 950 | K | 91.1 | Very high | 85.9 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.7 | 168.4 | -162.3 | 179.9 | 177.6 | 176.1 | 0 | 107.1 | L942 E943 G958 W959 | L942-K950 PolarHBondContact N-O 3.05Å; E943-K950 HydrophobicContact CB-CB 3.58Å; E943-K950 HydrophobicContact CB-CD 3.72Å; E943-K950 HydrophobicContact CB-CG 4.33Å; E943-K950 HydrophobicContact CG-CD 4.45Å; E943-K950 PolarHBondContact N-O 3.34Å; E943-K950 PolarHBondContact O-N 2.82Å; E943-K950 WeakPolarHBondContact OE2-CD 3.26Å; E943-K950 WeakPolarHBondContact OE2-CE 3.48Å; E943-K950 IonicContact OE2-NZ 2.72Å; E943-K950 PolarHBondContact OE2-NZ 3.02Å; K950-G958 WeakPolarHBondContact CA-O 3.37Å; K950-W959 HydrophobicContact CB-CD2 3.82Å; K950-W959 HydrophobicContact CB-CE3 3.74Å; K950-W959 HydrophobicContact CB-CH2 3.8Å; K950-W959 HydrophobicContact CB-CZ2 3.91Å; K950-W959 HydrophobicContact CB-CZ3 3.72Å; K950-W959 HydrophobicContact CD-CH2 4.29Å; K950-W959 HydrophobicContact CD-CZ2 3.77Å; K950-W959 HydrophobicContact CG-CD2 4.25Å; K950-W959 HydrophobicContact CG-CZ2 4.23Å |
| 951 | G | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 172.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R940 Q957 G958 | R940-G951 CarbonylContact O-C 3.59Å; R940-G951 WeakPolarHBondContact O-CA 3.47Å; G951-Q957 CarbonylContact O-C 3.55Å; G951-Q957 VanDerWaalsContact O-CA 3.27Å; G951-Q957 WeakPolarHBondContact O-CA 3.28Å; G951-G958 PolarHBondContact N-O 3.11Å; G951-G958 PolarHBondContact O-N 3.41Å |
| 952 | E | 91.6 | Very high | 85.8 | Confident | 46 Ų | 46 | 64 Ų | 64 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119 | -174.1 | -168.3 | 173.2 | 119.8 | 0 | 0 | 109 | R940 L942 G954 K956 Q957 | R940-E952 HydrophobicContact CB-CB 4.34Å; R940-E952 IonicContact CZ-OE1 2.66Å; R940-E952 IonicContact CZ-OE2 3.62Å; R940-E952 PolarHBondContact N-O 2.88Å; R940-E952 IonicContact NH1-OE1 3.18Å; R940-E952 PolarHBondContact NH1-OE1 3.2Å; R940-E952 IonicContact NH1-OE2 3.78Å; R940-E952 VanDerWaalsContact NH2-CD 3.32Å; R940-E952 IonicContact NH2-OE1 3.96Å; R940-E952 PolarHBondContact NH2-OE1 3.31Å; R940-E952 IonicContact NH2-OE2 2.69Å; R940-E952 PolarHBondContact NH2-OE2 3.45Å; R940-E952 PolarHBondContact O-N 3.16Å; L942-E952 HydrophobicContact CD1-CB 4.1Å; L942-E952 HydrophobicContact CD2-CB 4.41Å; L942-E952 HydrophobicContact CG-CB 4.32Å; E952-G954 WeakPolarHBondContact CG-O 3.36Å; E952-K956 WeakPolarHBondContact CA-O 3.16Å; E952-Q957 HydrophobicContact CB-CG 4.16Å; E952-Q957 HydrophobicContact CG-CG 3.96Å; E952-Q957 PolarHBondContact OE2-NE2 3.4Å |
| 953 | L | 87.6 | Confident | 86 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 101.4 | 171.4 | -179.8 | 66.1 | 0 | 0 | 0 | 108.4 | L931 F933 V938 I939 K956 | L931-L953 HydrophobicContact CD1-CB 4.11Å; L931-L953 HydrophobicContact CD2-CB 3.9Å; L931-L953 HydrophobicContact CG-CB 4.29Å; F933-L953 HydrophobicContact CB-CD2 3.47Å; F933-L953 VanDerWaalsContact CB-CD2 3.47Å; V938-L953 WeakPolarHBondContact O-CD1 3.33Å; I939-L953 HydrophobicContact CG1-CB 4.31Å; I939-L953 HydrophobicContact CG1-CD1 4.41Å; L953-K956 PolarHBondContact N-O 2.83Å |
| 954 | G | 82 | Confident | 86.3 | Confident | 50 Ų | 50 | 65 Ų | 65 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -144.5 | -162 | 0 | 0 | 0 | 0 | 0 | 110.3 | E952 K956 | E952-G954 WeakPolarHBondContact CG-O 3.36Å; G954-K956 PolarHBondContact O-N 3.42Å; G954-K956 VanDerWaalsContact O-N 3.09Å |
| 955 | N | 78.6 | Confident | 86.6 | Confident | 167 Ų | 167 | 60.8 Ų | 60.8 | 89% | 0.893 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 8 | -175.2 | -56.4 | 25.8 | 0 | 0 | 0 | 114 | ||
| 956 | K | 80.4 | Confident | 87 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.1 | 176.2 | -66.9 | -162.6 | 174.1 | -160.7 | 0 | 109.8 | L931 E952 L953 G954 | L931-K956 HydrophobicContact CD1-CB 3.79Å; L931-K956 WeakPolarHBondContact CD1-O 3.43Å; E952-K956 WeakPolarHBondContact CA-O 3.16Å; L953-K956 PolarHBondContact N-O 2.83Å; G954-K956 PolarHBondContact O-N 3.42Å; G954-K956 VanDerWaalsContact O-N 3.09Å |
| 957 | Q | 89.2 | Confident | 87.7 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.7 | 164.6 | -61.2 | -172.3 | -9.8 | 0 | 0 | 109.3 | L942 G951 E952 | L942-Q957 HydrophobicContact CD1-CB 4.04Å; L942-Q957 HydrophobicContact CD1-CG 3.61Å; G951-Q957 CarbonylContact O-C 3.55Å; G951-Q957 VanDerWaalsContact O-CA 3.27Å; G951-Q957 WeakPolarHBondContact O-CA 3.28Å; E952-Q957 HydrophobicContact CB-CG 4.16Å; E952-Q957 HydrophobicContact CG-CG 3.96Å; E952-Q957 PolarHBondContact OE2-NE2 3.4Å |
| 958 | G | 87.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | 167.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N929 K950 G951 | N929-G958 CarbonylContact O-C 3.52Å; N929-G958 VanDerWaalsContact O-CA 3.29Å; N929-G958 WeakPolarHBondContact O-CA 3.43Å; K950-G958 WeakPolarHBondContact CA-O 3.37Å; G951-G958 PolarHBondContact N-O 3.11Å; G951-G958 PolarHBondContact O-N 3.41Å |
| 959 | W | 93.2 | Very high | 85.7 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.5 | 178.5 | -63.3 | 99 | 0 | 0 | 0 | 111.9 | N929 H930 L931 E943 Q945 W948 W949 K950 | N929-W959 PolarHBondContact O-N 3.12Å; H930-W959 CarbonylContact C-O 3.54Å; H930-W959 WeakPolarHBondContact CA-O 3.21Å; H930-W959 WeakPolarHBondContact CB-O 3.43Å; L931-W959 PolarHBondContact N-O 3.32Å; E943-W959 HydrophobicContact CB-CH2 3.96Å; E943-W959 HydrophobicContact CG-CH2 3.92Å; E943-W959 HydrophobicContact CG-CZ2 4.49Å; E943-W959 WeakPolarHBondContact OE1-CH2 3.32Å; E943-W959 VanDerWaalsContact OE1-CZ2 3.23Å; E943-W959 WeakPolarHBondContact OE1-CZ2 3.27Å; Q945-W959 HydrophobicContact CB-CZ3 4.11Å; Q945-W959 HydrophobicContact CG-CH2 3.66Å; Q945-W959 HydrophobicContact CG-CZ3 3.68Å; W948-W959 HydrophobicContact CB-CE3 3.85Å; W948-W959 HydrophobicContact CE3-CB 3.75Å; W948-W959 HydrophobicContact CZ3-CB 4.39Å; W948-W959 WeakPolarHBondContact O-CZ3 3.47Å; W949-W959 VanDerWaalsContact C-CE3 3.46Å; W949-W959 CarbonylContact O-C 3.58Å; W949-W959 VanDerWaalsContact O-CA 3.29Å; W949-W959 WeakPolarHBondContact O-CA 3.34Å; K950-W959 HydrophobicContact CB-CD2 3.82Å; K950-W959 HydrophobicContact CB-CE3 3.74Å; K950-W959 HydrophobicContact CB-CH2 3.8Å; K950-W959 HydrophobicContact CB-CZ2 3.91Å; K950-W959 HydrophobicContact CB-CZ3 3.72Å; K950-W959 HydrophobicContact CD-CH2 4.29Å; K950-W959 HydrophobicContact CD-CZ2 3.77Å; K950-W959 HydrophobicContact CG-CD2 4.25Å; K950-W959 HydrophobicContact CG-CZ2 4.23Å |
| 960 | F | 94 | Very high | 83.2 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.9 | 170.4 | 55.3 | -89.6 | 0 | 0 | 0 | 111.1 | L931 F933 I939 I941 W948 W949 K962 V965 | L931-F960 HydrophobicContact CB-CB 4.42Å; L931-F960 HydrophobicContact CB-CD1 3.86Å; L931-F960 HydrophobicContact CD2-CD1 3.68Å; L931-F960 HydrophobicContact CD2-CE1 3.85Å; L931-F960 HydrophobicContact CG-CD1 4.42Å; F933-F960 HydrophobicContact CE1-CB 3.55Å; F933-F960 HydrophobicContact CE1-CD1 4.2Å; F933-F960 AromaticContact CE1-CD2 3.82Å; F933-F960 HydrophobicContact CE1-CD2 3.82Å; F933-F960 AromaticContact CE1-CG 3.58Å; F933-F960 HydrophobicContact CE1-CG 3.58Å; F933-F960 HydrophobicContact CZ-CB 4.22Å; F933-F960 HydrophobicContact CZ-CD2 4.07Å; F933-F960 HydrophobicContact CZ-CG 4.26Å; I939-F960 HydrophobicContact CB-CZ 4.44Å; I939-F960 HydrophobicContact CD1-CD1 4.46Å; I939-F960 HydrophobicContact CD1-CE1 4.15Å; I939-F960 HydrophobicContact CD1-CE2 4.21Å; I939-F960 HydrophobicContact CD1-CZ 4.01Å; I939-F960 HydrophobicContact CG2-CE1 3.66Å; I939-F960 HydrophobicContact CG2-CZ 3.91Å; I941-F960 HydrophobicContact CD1-CZ 3.75Å; W948-F960 CarbonylContact C-O 3.59Å; W948-F960 VanDerWaalsContact CA-O 3.31Å; W948-F960 WeakPolarHBondContact CA-O 3.01Å; W948-F960 VanDerWaalsContact CE3-C 3.43Å; W948-F960 VanDerWaalsContact CE3-CA 3.49Å; W949-F960 HydrophobicContact CB-CE1 4.33Å; W949-F960 HydrophobicContact CB-CE2 3.87Å; W949-F960 HydrophobicContact CB-CZ 3.78Å; W949-F960 HydrophobicContact CE3-CE2 4.18Å; W949-F960 PolarHBondContact N-O 3.46Å; W949-F960 WeakPolarHBondContact O-CD1 3.08Å; W949-F960 VanDerWaalsContact O-CE1 3.25Å; W949-F960 WeakPolarHBondContact O-CE1 3.47Å; W949-F960 PolarHBondContact O-N 3.23Å; F960-K962 PolarHBondContact O-N 3.29Å; F960-V965 HydrophobicContact CD2-CG1 3.9Å; F960-V965 HydrophobicContact CD2-CG2 4.47Å; F960-V965 HydrophobicContact CE2-CB 4.35Å; F960-V965 HydrophobicContact CE2-CG1 3.58Å; F960-V965 HydrophobicContact CE2-CG2 3.78Å; F960-V965 HydrophobicContact CZ-CG1 4.49Å |
| 961 | P | 89.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 131.7 | 180 | -20 | 31.9 | 0 | 0 | 0 | 111.6 | W923 M947 W948 S963 Y964 | W923-P961 HydrophobicContact CD2-CG 4.2Å; W923-P961 HydrophobicContact CE3-CG 4.18Å; W923-P961 HydrophobicContact CH2-CG 3.61Å; W923-P961 VanDerWaalsContact CZ2-CD 3.42Å; W923-P961 HydrophobicContact CZ2-CG 3.63Å; W923-P961 HydrophobicContact CZ3-CG 3.9Å; M947-P961 CarbonylContact O-C 3.59Å; M947-P961 VanDerWaalsContact O-CA 3.29Å; M947-P961 WeakPolarHBondContact O-CA 3.23Å; W948-P961 HydrophobicContact CE3-CG 4.37Å; W948-P961 HydrophobicContact CH2-CG 4.19Å; W948-P961 HydrophobicContact CZ2-CG 4.43Å; W948-P961 HydrophobicContact CZ3-CG 4.16Å; P961-S963 PolarHBondContact O-N 2.85Å; P961-S963 VanDerWaalsContact O-N 3.14Å; P961-Y964 HydrophobicContact CB-CD2 3.99Å; P961-Y964 HydrophobicContact CG-CD2 4.23Å; P961-Y964 PolarHBondContact O-N 3.09Å |
| 962 | K | 89.5 | Confident | 78.3 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -50.7 | -37.3 | 175.5 | 175.8 | 173.8 | 178 | 176.2 | 0 | 112.2 | E946 M947 W949 F960 Y964 V965 | E946-K962 WeakPolarHBondContact O-CD 3.46Å; M947-K962 PolarHBondContact O-N 3.46Å; W949-K962 HydrophobicContact CD2-CB 4.32Å; W949-K962 HydrophobicContact CD2-CG 4.25Å; W949-K962 HydrophobicContact CH2-CD 4.36Å; W949-K962 HydrophobicContact CH2-CG 3.94Å; W949-K962 HydrophobicContact CZ2-CD 3.61Å; W949-K962 HydrophobicContact CZ2-CG 3.61Å; W949-K962 HydrophobicContact CZ3-CG 4.41Å; F960-K962 PolarHBondContact O-N 3.29Å; K962-Y964 PolarHBondContact O-N 3.06Å; K962-V965 WeakPolarHBondContact O-CG2 3.2Å; K962-V965 PolarHBondContact O-N 2.87Å |
| 963 | S | 89 | Confident | 75.4 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 58% | 0.58 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.9 | 179.2 | 53.5 | 0 | 0 | 0 | 0 | 115.7 | P961 | P961-S963 PolarHBondContact O-N 2.85Å; P961-S963 VanDerWaalsContact O-N 3.14Å |
| 964 | Y | 90.8 | Very high | 72.8 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 29% | 0.29 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -89.3 | -1.2 | 178.1 | -84 | -110.2 | 0 | 0 | 0 | 113.4 | A919 L920 N922 W923 P961 K962 | A919-Y964 CarbonylContact C-O 3.56Å; A919-Y964 WeakPolarHBondContact CA-O 3.17Å; L920-Y964 PolarHBondContact N-O 2.82Å; N922-Y964 WeakPolarHBondContact O-CE1 3.34Å; W923-Y964 HydrophobicContact CB-CD1 3.64Å; W923-Y964 HydrophobicContact CB-CE1 4.28Å; W923-Y964 HydrophobicContact CB-CG 4.18Å; W923-Y964 HydrophobicContact CD2-CD1 4.35Å; W923-Y964 HydrophobicContact CD2-CG 4.47Å; W923-Y964 AromaticContact CE3-CD1 3.91Å; W923-Y964 HydrophobicContact CE3-CD1 3.91Å; W923-Y964 HydrophobicContact CE3-CD2 4.15Å; W923-Y964 AromaticContact CE3-CE1 3.68Å; W923-Y964 HydrophobicContact CE3-CE1 3.68Å; W923-Y964 AromaticContact CE3-CE2 3.94Å; W923-Y964 HydrophobicContact CE3-CE2 3.94Å; W923-Y964 HydrophobicContact CE3-CG 4.14Å; W923-Y964 AromaticContact CE3-CZ 3.69Å; W923-Y964 HydrophobicContact CG-CD1 4.27Å; W923-Y964 HydrophobicContact CG-CG 4.49Å; W923-Y964 HydrophobicContact CZ3-CE1 4.49Å; W923-Y964 HydrophobicContact CZ3-CE2 4.14Å; P961-Y964 HydrophobicContact CB-CD2 3.99Å; P961-Y964 HydrophobicContact CG-CD2 4.23Å; P961-Y964 PolarHBondContact O-N 3.09Å; K962-Y964 PolarHBondContact O-N 3.06Å |
| 965 | V | 90.8 | Very high | 70.3 | Confident | 11 Ų | 11 | 86.4 Ų | 86.4 | 7% | 0.067 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 164.7 | -178.1 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | A917 R918 F933 I939 W949 F960 K962 | A917-V965 HydrophobicContact CB-CB 3.89Å; A917-V965 HydrophobicContact CB-CG2 3.78Å; R918-V965 CarbonylContact O-C 3.59Å; R918-V965 VanDerWaalsContact O-CA 3.29Å; R918-V965 WeakPolarHBondContact O-CA 3.32Å; F933-V965 HydrophobicContact CE1-CG1 4.4Å; F933-V965 HydrophobicContact CE2-CG1 4.22Å; F933-V965 HydrophobicContact CZ-CG1 3.73Å; I939-V965 HydrophobicContact CD1-CG1 3.87Å; W949-V965 HydrophobicContact CE3-CG2 3.65Å; W949-V965 HydrophobicContact CZ3-CG2 3.51Å; F960-V965 HydrophobicContact CD2-CG1 3.9Å; F960-V965 HydrophobicContact CD2-CG2 4.47Å; F960-V965 HydrophobicContact CE2-CB 4.35Å; F960-V965 HydrophobicContact CE2-CG1 3.58Å; F960-V965 HydrophobicContact CE2-CG2 3.78Å; F960-V965 HydrophobicContact CZ-CG1 4.49Å; K962-V965 WeakPolarHBondContact O-CG2 3.2Å; K962-V965 PolarHBondContact O-N 2.87Å |
| 966 | K | 88 | Confident | 67.9 | Low | 128 Ų | 128 | 86.7 Ų | 86.7 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.5 | 164.1 | 177.1 | 168 | -179.6 | 169.2 | 0 | 108.7 | A917 R918 L920 N968 | A917-K966 CarbonylContact C-O 3.49Å; A917-K966 WeakPolarHBondContact CA-O 3.44Å; R918-K966 PolarHBondContact N-O 3.18Å; R918-K966 PolarHBondContact O-N 2.87Å; L920-K966 HydrophobicContact CD1-CB 4.17Å; L920-K966 HydrophobicContact CD2-CB 3.93Å; L920-K966 HydrophobicContact CG-CB 4.12Å; K966-N968 PolarHBondContact O-N 3.49Å |
| 967 | I | 84.5 | Confident | 65.4 | Low | 53 Ų | 53 | 86.7 Ų | 86.7 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.5 | 174.8 | -64.1 | 178.7 | 0 | 0 | 0 | 108.8 | W949 E969 | W949-I967 HydrophobicContact CH2-CD1 3.63Å; W949-I967 HydrophobicContact CH2-CG1 3.57Å; W949-I967 HydrophobicContact CZ2-CD1 4.33Å; W949-I967 HydrophobicContact CZ3-CD1 4.26Å; W949-I967 HydrophobicContact CZ3-CG1 3.77Å; I967-E969 VanDerWaalsContact C-N 3.32Å; I967-E969 HydrophobicContact CG2-CG 4.24Å; I967-E969 PolarHBondContact O-N 3.29Å; I967-E969 VanDerWaalsContact O-N 3.13Å |
| 968 | N | 69.1 | Low | 62.5 | Low | 35 Ų | 35 | 87 Ų | 87 | 19% | 0.187 | 45% | 0.449 | C | S | . | . | trans | -83.5 | 81.5 | 172.3 | -98.4 | 7 | 0 | 0 | 0 | 108.1 | F916 R918 K966 S970 L971 | F916-N968 PolarHBondContact O-N 2.85Å; R918-N968 WeakPolarHBondContact CB-OD1 3.09Å; K966-N968 PolarHBondContact O-N 3.49Å; N968-S970 PolarHBondContact O-N 3.04Å; N968-S970 VanDerWaalsContact O-N 3.12Å; N968-L971 HydrophobicContact CB-CB 4.49Å; N968-L971 HydrophobicContact CB-CD1 3.88Å; N968-L971 HydrophobicContact CB-CG 4.33Å; N968-L971 PolarHBondContact O-N 3.4Å | ||
| 969 | E | 49.8 | Very low | 59.8 | Low | 145 Ų | 145 | 95.2 Ų | 95.2 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -55.6 | -29.3 | 176.8 | -66.9 | 158.3 | 152.4 | 0 | 0 | 111.8 | I967 L971 R972 | I967-E969 VanDerWaalsContact C-N 3.32Å; I967-E969 HydrophobicContact CG2-CG 4.24Å; I967-E969 PolarHBondContact O-N 3.29Å; I967-E969 VanDerWaalsContact O-N 3.13Å; E969-L971 PolarHBondContact O-N 3.2Å; E969-L971 VanDerWaalsContact O-N 3.13Å; E969-R972 PolarHBondContact O-N 3.12Å |
| 970 | S | 41.4 | Very low | 56.8 | Low | 89 Ų | 89 | 96.1 Ų | 96.1 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -59.3 | -17.2 | 172.7 | 60.9 | 0 | 0 | 0 | 0 | 115.1 | N968 | N968-S970 PolarHBondContact O-N 3.04Å; N968-S970 VanDerWaalsContact O-N 3.12Å |
| 971 | L | 41.2 | Very low | 53.8 | Low | 57 Ų | 57 | 101.3 Ų | 101.3 | 30% | 0.298 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -89 | -14.7 | 177.7 | -82 | 165.7 | 0 | 0 | 0 | 114.1 | F916 V938 N968 E969 R973 S974 | F916-L971 HydrophobicContact CB-CD1 3.65Å; F916-L971 HydrophobicContact CD2-CB 4.41Å; F916-L971 HydrophobicContact CD2-CD1 4.29Å; F916-L971 HydrophobicContact CG-CD1 3.95Å; V938-L971 HydrophobicContact CG1-CD1 4.16Å; N968-L971 HydrophobicContact CB-CB 4.49Å; N968-L971 HydrophobicContact CB-CD1 3.88Å; N968-L971 HydrophobicContact CB-CG 4.33Å; N968-L971 PolarHBondContact O-N 3.4Å; E969-L971 PolarHBondContact O-N 3.2Å; E969-L971 VanDerWaalsContact O-N 3.13Å; L971-R973 PolarHBondContact O-N 3.5Å; L971-S974 PolarHBondContact O-OG 2.94Å |
| 972 | R | 36 | Very low | 50.9 | Low | 198 Ų | 198 | 107 Ų | 107 | 75% | 0.747 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -19 | 172 | -94 | -175.6 | 169.6 | 174.7 | -4.8 | 112.6 | E969 | E969-R972 PolarHBondContact O-N 3.12Š|
| 973 | R | 31.6 | Very low | 48.3 | Very low | 239 Ų | 239 | 112 Ų | 112 | 90% | 0.902 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 9.7 | -176.3 | -153.9 | 170.9 | -70.3 | -146.2 | 0.5 | 114.1 | L971 | L971-R973 PolarHBondContact O-N 3.5Š|
| 974 | S | 32.7 | Very low | 45.5 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -136.7 | 22.3 | -169.7 | 63 | 0 | 0 | 0 | 0 | 115.3 | L971 | L971-S974 PolarHBondContact O-OG 2.94Š|
| 975 | S | 28.7 | Very low | 42.6 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -128.7 | 20.3 | 179 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 976 | L | 27.9 | Very low | 39.8 | Very low | 174 Ų | 174 | 124.3 Ų | 124.3 | 91% | 0.911 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -124.9 | 42.9 | 169.6 | -96.1 | 170.6 | 0 | 0 | 0 | 111.6 | ||
| 977 | T | 28 | Very low | 37.1 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -144.6 | 148.3 | 168.2 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 978 | S | 29.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | 75.7 | 79.3 | 169.7 | -170.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 979 | I | 30.2 | Very low | 32.9 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 90% | 0.903 | 72% | 0.715 | S | S | * | * | S | Bend | -134.4 | 129 | 128.9 | -61 | -175.3 | 0 | 0 | 0 | 107.8 | |||
| 980 | G | 30.3 | Very low | 32.1 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | 77.5 | 103.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 981 | S | 30.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | cis | 96 | 117 | 43.9 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 982 | D | 30 | Very low | 31.3 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 64.4 | 95.4 | 149.2 | -57.4 | -12.5 | 0 | 0 | 0 | 121.2 | ||||
| 983 | K | 34.6 | Very low | 31.1 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | 176.8 | 130.4 | 98.6 | -91.6 | 146.1 | -164.6 | 159.8 | 0 | 116 | |||||
| 984 | R | 30.2 | Very low | 31.3 | Very low | 226 Ų | 226 | 128.9 Ų | 128.9 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | 28.5 | 131.9 | 140.5 | -66.3 | -177.2 | 171 | 174.4 | -3.1 | 121.7 | ||||
| 985 | S | 29.9 | Very low | 31.3 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | 68.9 | 151 | 135.7 | 64.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 986 | S | 31.2 | Very low | 31.5 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -167.7 | 148.6 | 8.9 | 13.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 987 | L | 32.6 | Very low | 31.6 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 64 | 159 | 144.5 | -62 | 167.3 | 0 | 0 | 0 | 118.8 | ||||
| 988 | S | 30.1 | Very low | 31.9 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | cis | 175.8 | 164.4 | -38.9 | 57.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 989 | N | 34.8 | Very low | 32 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 72.4 | 149.3 | 155.1 | -65.1 | 16.3 | 0 | 0 | 0 | 116.8 | ||||
| 990 | D | 32.7 | Very low | 32.1 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | -170.1 | 168.1 | -11.8 | -117.9 | -34.7 | 0 | 0 | 0 | 114.4 | ||||
| 991 | V | 35.5 | Very low | 32.1 | Very low | 95 Ų | 95 | 135 Ų | 135 | 58% | 0.576 | 74% | 0.736 | S | S | * | * | trans | 68 | 111.7 | 137.8 | 166.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 992 | R | 30.4 | Very low | 32 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | 63 | 160.9 | 127.7 | -67.6 | -169.2 | 168.6 | 99.5 | -2.1 | 121.5 | |||||
| 993 | A | 32.6 | Very low | 32 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | cis | -172.7 | 178.3 | -22.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 994 | D | 34.5 | Very low | 31.7 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | 66.5 | 149.5 | 154.3 | -59.6 | -12.9 | 0 | 0 | 0 | 118.2 | ||||
| 995 | T | 32.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | cis | -157.1 | 164.1 | -13.6 | -104 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 996 | I | 32.4 | Very low | 31.6 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -52 | 149 | 176.1 | -57.6 | 149.9 | 0 | 0 | 0 | 114.5 | ||||
| 997 | E | 31.2 | Very low | 31.6 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | 161.4 | 153.1 | 136.4 | -92.2 | 176.7 | -153.9 | 0 | 0 | 110.6 | ||||
| 998 | V | 33.6 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | cis | -176.9 | 148.4 | -23.1 | 128.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 999 | G | 31.5 | Very low | 31.5 | Very low | 57 Ų | 57 | 133 Ų | 133 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | trans | 95.3 | 116 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1000 | N | 32.7 | Very low | 31.2 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 62.8 | 171.1 | 137.6 | -62.4 | 16.8 | 0 | 0 | 0 | 121.5 | ||||
| 1001 | D | 30.1 | Very low | 31.1 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | cis | -170.5 | 138.2 | -49.1 | -171.4 | 15.9 | 0 | 0 | 0 | 110.1 | ||||
| 1002 | S | 27.9 | Very low | 30.7 | Very low | 84 Ų | 84 | 135 Ų | 135 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | trans | 63.1 | 161.5 | 156.6 | 80.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1003 | T | 31.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | 65.9 | 118.6 | 166 | 61.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1004 | V | 27.5 | Very low | 30.7 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | 76.8 | 102.1 | 58 | 176.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1005 | N | 30.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | -175.5 | 142.4 | 124.2 | -102.5 | -57.9 | 0 | 0 | 0 | 117.5 | |||||
| 1006 | T | 28.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -60.5 | 142.7 | 177.1 | -43.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1007 | K | 30.5 | Very low | 30.5 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | trans | 153.9 | 138.4 | 139 | -86.6 | 179.9 | 176.1 | -166.3 | 0 | 110.4 | ||||
| 1008 | V | 28.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | cis | 88.9 | 100.4 | 31.2 | 178.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1009 | E | 31 | Very low | 30.3 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | 176.5 | 128.8 | 141.9 | -97.9 | 153.7 | -150.3 | 0 | 0 | 109.7 | ||||
| 1010 | Q | 30 | Very low | 30.1 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | 68.1 | 141.5 | 92.5 | -63.7 | -174.9 | 16.3 | 0 | 0 | 115.7 | |||||
| 1011 | T | 29.1 | Very low | 30 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | cis | -167 | 148.7 | -10.3 | 19.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1012 | T | 27.7 | Very low | 30 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 31.5 | 133.9 | 148.2 | 61.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1013 | S | 31.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | 174.3 | 150.8 | 106.3 | 47.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1014 | A | 31.9 | Very low | 29.6 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 21.8 | 153.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1015 | A | 33 | Very low | 29.5 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | cis | -174.8 | 165.9 | -16 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1016 | E | 32.5 | Very low | 29.3 | Very low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | 61.5 | 153.1 | 159.7 | -69.5 | 156.5 | -146.8 | 0 | 0 | 118.7 | ||||
| 1017 | S | 29.5 | Very low | 29.4 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | cis | -162.8 | 170.1 | -24.7 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1018 | D | 31.6 | Very low | 29.2 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 61 | 100.7 | 157.9 | -70.7 | -3.3 | 0 | 0 | 0 | 123.8 | ||||
| 1019 | S | 29.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 93.3 | 129.2 | 113.9 | 78.3 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1020 | T | 27.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 52.6 | 89 | 150.1 | 53 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1021 | G | 30 | Very low | 31.3 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -137 | 147.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1022 | K | 29.2 | Very low | 33.6 | Very low | 175 Ų | 175 | 119.5 Ų | 119.5 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -97.4 | 153 | -178.8 | -79.3 | 173.7 | 144.4 | -122.9 | 0 | 112 | ||||
| 1023 | E | 26.1 | Very low | 36.4 | Very low | 169 Ų | 169 | 119.6 Ų | 119.6 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 56.3 | 125.8 | 145.2 | -66.8 | 153 | -143.7 | 0 | 0 | 118.5 | ||
| 1024 | G | 26.3 | Very low | 39.3 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | trans | 123.3 | 33.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1025 | A | 25.2 | Very low | 42 | Very low | 87 Ų | 87 | 111.5 Ų | 111.5 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | trans | -153.7 | 158.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1026 | L | 26.2 | Very low | 44.7 | Very low | 173 Ų | 173 | 108.1 Ų | 108.1 | 91% | 0.906 | 63% | 0.632 | S | S | * | * | trans | 68.1 | 149.5 | 164.6 | -54.7 | 174.3 | 0 | 0 | 0 | 116.4 | ||||
| 1027 | A | 29.2 | Very low | 47.3 | Very low | 83 Ų | 83 | 101.4 Ų | 101.4 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | cis | -154.7 | 167.4 | -18.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D1029 | A1027-D1029 PolarHBondContact O-N 3.3Å; A1027-D1029 VanDerWaalsContact O-N 3.16Å | ||
| 1028 | I | 27.5 | Very low | 49.8 | Very low | 174 Ų | 174 | 99.6 Ų | 99.6 | 89% | 0.892 | 58% | 0.582 | S | S | * | * | trans | -78.6 | 91.1 | 171.7 | -57.4 | 168.1 | 0 | 0 | 0 | 107.9 | ||||
| 1029 | D | 30.4 | Very low | 52.5 | Low | 134 Ų | 134 | 95 Ų | 95 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | trans | -153 | 107.4 | 175.7 | -147.4 | -16.5 | 0 | 0 | 0 | 115.1 | A1027 | A1027-D1029 PolarHBondContact O-N 3.3Å; A1027-D1029 VanDerWaalsContact O-N 3.16Å | ||
| 1030 | N | 47.3 | Very low | 55.2 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | trans | -170.3 | 19.8 | 150.9 | -113.6 | -76.6 | 0 | 0 | 0 | 113 | Q1032 | N1030-Q1032 PolarHBondContact O-N 3.01Š| ||
| 1031 | C | 56 | Low | 57.8 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 43% | 0.432 | 52% | 0.516 | S | S | . | . | trans | -73.7 | 76.6 | 176.8 | -73.3 | 0 | 0 | 0 | 0 | 109.9 | L1057 V1058 | C1031-L1057 HydrophobicContact CB-CD1 4.07Å; C1031-L1057 HydrophobicContact CB-CG 4.44Å; C1031-L1057 WeakPolarHBondContact O-CD1 3.46Å; C1031-V1058 WeakPolarHBondContact CA-O 3.49Å | ||
| 1032 | Q | 76.8 | Confident | 60.2 | Low | 89 Ų | 89 | 87.2 Ų | 87.2 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.7 | -175.4 | -74.5 | 172.9 | -16.3 | 0 | 0 | 111.1 | N1030 Y1034 V1058 | N1030-Q1032 PolarHBondContact O-N 3.01Å; Q1032-Y1034 HydrophobicContact CB-CD2 4.24Å; Q1032-Y1034 HydrophobicContact CB-CE2 3.84Å; Q1032-V1058 PolarHBondContact O-N 3.26Å |
| 1033 | W | 87.5 | Confident | 62.2 | Low | 127 Ų | 127 | 82.7 Ų | 82.7 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.1 | 168 | -72.3 | 105.2 | 0 | 0 | 0 | 111 | K1055 L1057 L1085 | W1033-K1055 HydrophobicContact CE3-CB 3.97Å; W1033-K1055 HydrophobicContact CZ3-CB 4.04Å; W1033-L1057 HydrophobicContact CD2-CB 4.5Å; W1033-L1057 HydrophobicContact CD2-CD1 4.1Å; W1033-L1057 HydrophobicContact CE3-CB 4.11Å; W1033-L1057 HydrophobicContact CG-CD1 4.43Å; W1033-L1057 HydrophobicContact CH2-CB 4.05Å; W1033-L1057 HydrophobicContact CZ2-CB 4.42Å; W1033-L1057 HydrophobicContact CZ2-CD1 4.27Å; W1033-L1057 HydrophobicContact CZ3-CB 3.88Å; W1033-L1085 HydrophobicContact CB-CB 3.93Å; W1033-L1085 HydrophobicContact CB-CD2 3.85Å; W1033-L1085 HydrophobicContact CG-CD2 4.49Å; W1033-L1085 WeakPolarHBondContact O-CB 3.35Å; W1033-L1085 PolarHBondContact O-N 3.01Å |
| 1034 | Y | 90.9 | Very high | 64.5 | Low | 21 Ų | 21 | 78.4 Ų | 78.4 | 8% | 0.082 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 163.5 | 169.3 | -79.5 | -119.4 | 0 | 0 | 0 | 108.3 | Q1032 K1055 I1056 V1058 K1061 W1066 V1082 K1083 P1084 | Q1032-Y1034 HydrophobicContact CB-CD2 4.24Å; Q1032-Y1034 HydrophobicContact CB-CE2 3.84Å; Y1034-K1055 CarbonylContact O-C 3.57Å; Y1034-K1055 WeakPolarHBondContact O-CA 3.21Å; Y1034-I1056 PolarHBondContact N-O 3.44Å; Y1034-I1056 PolarHBondContact O-N 2.78Å; Y1034-V1058 HydrophobicContact CD1-CG2 4.37Å; Y1034-V1058 HydrophobicContact CD2-CB 4.07Å; Y1034-V1058 HydrophobicContact CD2-CG2 3.31Å; Y1034-V1058 HydrophobicContact CE2-CB 4.32Å; Y1034-V1058 HydrophobicContact CE2-CG2 3.94Å; Y1034-V1058 HydrophobicContact CG-CG2 3.57Å; Y1034-K1061 PolarHBondContact OH-NZ 3.46Å; Y1034-K1061 VanDerWaalsContact OH-NZ 3.09Å; Y1034-W1066 AromaticContact CD1-CZ3 3.91Å; Y1034-W1066 HydrophobicContact CD1-CZ3 3.91Å; Y1034-W1066 HydrophobicContact CE1-CE3 4.48Å; Y1034-W1066 AromaticContact CE1-CH2 3.88Å; Y1034-W1066 HydrophobicContact CE1-CH2 3.88Å; Y1034-W1066 AromaticContact CE1-CZ3 3.39Å; Y1034-W1066 HydrophobicContact CE1-CZ3 3.39Å; Y1034-W1066 AromaticContact CZ-CZ3 3.87Å; Y1034-V1082 HydrophobicContact CD1-CB 4.02Å; Y1034-V1082 HydrophobicContact CD1-CG2 3.67Å; Y1034-V1082 HydrophobicContact CE1-CG2 4.37Å; Y1034-V1082 HydrophobicContact CG-CG2 4.39Å; Y1034-K1083 CarbonylContact C-O 3.53Å; Y1034-K1083 WeakPolarHBondContact CA-O 3.23Å; Y1034-K1083 VanDerWaalsContact CB-O 3.29Å; Y1034-K1083 WeakPolarHBondContact CB-O 3.46Å; Y1034-K1083 WeakPolarHBondContact CD1-O 3.16Å; Y1034-P1084 HydrophobicContact CD1-CG 4.28Å; Y1034-P1084 VanDerWaalsContact CD1-N 3.34Å; Y1034-P1084 HydrophobicContact CE1-CB 4.3Å; Y1034-P1084 HydrophobicContact CE1-CG 3.7Å |
| 1035 | V | 90.1 | Very high | 66.6 | Low | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.127 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136 | 171 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | G1053 D1054 V1082 K1083 L1085 | V1035-G1053 WeakPolarHBondContact CG2-O 3.36Å; V1035-D1054 CarbonylContact C-O 3.59Å; V1035-D1054 WeakPolarHBondContact CA-O 3.47Å; V1035-V1082 WeakPolarHBondContact O-CA 3.3Å; V1035-K1083 HydrophobicContact CG1-CD 4.13Å; V1035-K1083 HydrophobicContact CG1-CG 3.59Å; V1035-K1083 PolarHBondContact N-O 3.39Å; V1035-K1083 PolarHBondContact O-N 2.74Å; V1035-L1085 HydrophobicContact CB-CD1 4.25Å; V1035-L1085 HydrophobicContact CG1-CD1 4.3Å |
| 1036 | A | 89.3 | Confident | 69.1 | Low | 5 Ų | 5 | 73.8 Ų | 73.8 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 132.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1050 N1051 G1053 D1054 Y1081 | A1036-F1050 HydrophobicContact CB-CD2 3.4Å; A1036-F1050 VanDerWaalsContact CB-CD2 3.4Å; A1036-F1050 HydrophobicContact CB-CE2 3.53Å; A1036-F1050 HydrophobicContact CB-CG 4.42Å; A1036-N1051 WeakPolarHBondContact CB-O 3.39Å; A1036-G1053 PolarHBondContact O-N 2.67Å; A1036-D1054 PolarHBondContact N-O 2.84Å; A1036-Y1081 CarbonylContact C-O 3.5Å; A1036-Y1081 WeakPolarHBondContact CA-O 3.41Å |
| 1037 | V | 86.3 | Confident | 72.1 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -95 | -28.8 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 111 | Y1081 K1083 | V1037-Y1081 PolarHBondContact N-O 3.5Å; V1037-K1083 HydrophobicContact CG2-CB 3.77Å; V1037-K1083 HydrophobicContact CG2-CD 3.87Å; V1037-K1083 HydrophobicContact CG2-CG 3.63Å |
| 1038 | Y | 83.5 | Confident | 75 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 24% | 0.235 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -135.9 | 153.8 | 177.1 | -52.1 | -90.5 | 0 | 0 | 0 | 108.7 | F1040 F1050 H1413 S1414 | Y1038-F1040 PolarHBondContact O-N 3.21Å; Y1038-F1050 WeakPolarHBondContact O-CE2 3.31Å; Y1038-H1413 PolarHBondContact OH-O 2.67Å; Y1038-S1414 VanDerWaalsContact OH-CA 3.31Å; Y1038-S1414 WeakPolarHBondContact OH-CA 3.43Å; Y1038-S1414 PolarHBondContact OH-O 3.13Å |
| 1039 | S | 87.1 | Confident | 77.9 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 125 | 171 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | F1050 N1051 A1052 Y1081 | S1039-F1050 CarbonylContact C-O 3.58Å; S1039-F1050 WeakPolarHBondContact CA-O 3.42Å; S1039-N1051 WeakPolarHBondContact CB-OD1 3.36Å; S1039-N1051 VanDerWaalsContact OG-CA 3.32Å; S1039-N1051 WeakPolarHBondContact OG-CA 3.46Å; S1039-N1051 PolarHBondContact OG-OD1 2.8Å; S1039-A1052 PolarHBondContact OG-N 2.99Å; S1039-Y1081 WeakPolarHBondContact O-CE1 3.33Å |
| 1040 | F | 86.8 | Confident | 80.8 | Confident | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -101.7 | 118.6 | 173 | -179.6 | -130.1 | 0 | 0 | 0 | 109.7 | Y1038 D1047 L1048 A1049 F1050 W1065 F1077 P1078 Y1081 | Y1038-F1040 PolarHBondContact O-N 3.21Å; F1040-D1047 HydrophobicContact CE1-CB 3.88Å; F1040-D1047 HydrophobicContact CZ-CB 4.08Å; F1040-L1048 VanDerWaalsContact CD1-O 3.28Å; F1040-L1048 WeakPolarHBondContact CD1-O 3.47Å; F1040-A1049 WeakPolarHBondContact O-CA 3.07Å; F1040-F1050 HydrophobicContact CB-CD1 4.22Å; F1040-F1050 HydrophobicContact CB-CD2 4.04Å; F1040-F1050 HydrophobicContact CB-CE1 3.85Å; F1040-F1050 HydrophobicContact CB-CE2 3.65Å; F1040-F1050 HydrophobicContact CB-CG 4.32Å; F1040-F1050 HydrophobicContact CB-CZ 3.56Å; F1040-F1050 HydrophobicContact CD1-CD1 4.49Å; F1040-F1050 AromaticContact CD1-CE1 3.99Å; F1040-F1050 HydrophobicContact CD1-CE1 3.99Å; F1040-F1050 HydrophobicContact CD1-CZ 4.37Å; F1040-F1050 HydrophobicContact CG-CE1 4.4Å; F1040-F1050 HydrophobicContact CG-CZ 4.37Å; F1040-F1050 PolarHBondContact N-O 2.73Å; F1040-F1050 PolarHBondContact O-N 3.29Å; F1040-W1065 HydrophobicContact CE1-CZ3 4.09Å; F1040-W1065 HydrophobicContact CE2-CH2 4.37Å; F1040-W1065 HydrophobicContact CE2-CZ3 4.49Å; F1040-W1065 AromaticContact CZ-CH2 3.81Å; F1040-W1065 HydrophobicContact CZ-CH2 3.81Å; F1040-W1065 AromaticContact CZ-CZ3 3.57Å; F1040-W1065 HydrophobicContact CZ-CZ3 3.57Å; F1040-F1077 HydrophobicContact CD1-CB 3.56Å; F1040-F1077 HydrophobicContact CE1-CB 3.72Å; F1040-P1078 HydrophobicContact CD2-CG 4.18Å; F1040-P1078 VanDerWaalsContact CE1-CD 3.44Å; F1040-P1078 HydrophobicContact CE2-CG 3.86Å; F1040-P1078 VanDerWaalsContact CZ-CD 3.42Å; F1040-P1078 HydrophobicContact CZ-CG 4.08Å; F1040-Y1081 HydrophobicContact CB-CD1 3.57Å; F1040-Y1081 HydrophobicContact CB-CE1 4.03Å; F1040-Y1081 HydrophobicContact CB-CG 4.2Å; F1040-Y1081 HydrophobicContact CD2-CD1 4.34Å; F1040-Y1081 HydrophobicContact CD2-CE1 4.16Å; F1040-Y1081 HydrophobicContact CG-CD1 4.29Å |
| 1041 | I | 83 | Confident | 82.8 | Confident | 111 Ų | 111 | 48.1 Ų | 48.1 | 57% | 0.569 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 121.6 | 174.2 | -58.6 | 174.3 | 0 | 0 | 0 | 107.2 | S1043 | I1041-S1043 PolarHBondContact O-N 3.45Š|
| 1042 | A | 79.7 | Confident | 84.1 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | trans | -64.1 | 101.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1047 A1049 | A1042-D1047 HydrophobicContact CB-CB 3.85Å; A1042-D1047 WeakPolarHBondContact CB-O 3.21Å; A1042-A1049 HydrophobicContact CB-CB 3.78Å | ||
| 1043 | S | 71.9 | Confident | 84.4 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -79.1 | -29.4 | 175.8 | 43.6 | 0 | 0 | 0 | 0 | 112.6 | N575 I1041 | N575-S1043 PolarHBondContact ND2-O 2.76Å; I1041-S1043 PolarHBondContact O-N 3.45Å |
| 1044 | E | 73.3 | Confident | 84.5 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -116.1 | 135.4 | 169.9 | -51.5 | -160.2 | 167 | 0 | 0 | 109.9 | N575 G1046 D1047 | N575-E1044 WeakPolarHBondContact OD1-CA 3.2Å; N575-E1044 WeakPolarHBondContact OD1-CB 3.18Å; N575-E1044 WeakPolarHBondContact OD1-CG 3.41Å; E1044-G1046 PolarHBondContact O-N 3.41Å; E1044-D1047 WeakPolarHBondContact CB-OD2 3.49Å; E1044-D1047 PolarHBondContact N-OD2 3.47Å; E1044-D1047 WeakPolarHBondContact O-CA 3.45Å; E1044-D1047 WeakPolarHBondContact O-CB 3.49Å; E1044-D1047 PolarHBondContact O-N 2.72Å |
| 1045 | P | 71.3 | Confident | 84.5 | Confident | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 118.7 | -167.7 | 26.5 | -33.7 | 0 | 0 | 0 | 112 | N575 A579 R582 | N575-P1045 HydrophobicContact CB-CG 3.86Å; N575-P1045 WeakPolarHBondContact O-CG 3.43Å; N575-P1045 WeakPolarHBondContact OD1-CD 3.49Å; A579-P1045 HydrophobicContact CB-CB 3.85Å; A579-P1045 HydrophobicContact CB-CG 3.53Å; R582-P1045 WeakPolarHBondContact CD-O 3.45Å; R582-P1045 PolarHBondContact NH1-O 3.2Å |
| 1046 | G | 77.7 | Confident | 84.5 | Confident | 30 Ų | 30 | 46 Ų | 46 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 5.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R582 E1044 G1075 I1076 | R582-G1046 VanDerWaalsContact CZ-C 3.46Å; R582-G1046 VanDerWaalsContact NH1-C 3.27Å; E1044-G1046 PolarHBondContact O-N 3.41Å; G1046-G1075 WeakPolarHBondContact O-CA 3.49Å; G1046-I1076 PolarHBondContact O-N 2.68Å; G1046-I1076 VanDerWaalsContact O-N 3.09Å |
| 1047 | D | 88.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 143.5 | 139.5 | -55.6 | -6.7 | 0 | 0 | 0 | 108 | R582 F1040 A1042 E1044 A1049 W1065 I1076 | R582-D1047 IonicContact CZ-OD1 3.68Å; R582-D1047 IonicContact NH1-OD1 2.76Å; R582-D1047 PolarHBondContact NH1-OD1 3.4Å; R582-D1047 IonicContact NH2-OD1 2.98Å; R582-D1047 PolarHBondContact NH2-OD1 2.97Å; R582-D1047 VanDerWaalsContact NH2-OD1 3.13Å; F1040-D1047 HydrophobicContact CE1-CB 3.88Å; F1040-D1047 HydrophobicContact CZ-CB 4.08Å; A1042-D1047 HydrophobicContact CB-CB 3.85Å; A1042-D1047 WeakPolarHBondContact CB-O 3.21Å; E1044-D1047 WeakPolarHBondContact CB-OD2 3.49Å; E1044-D1047 PolarHBondContact N-OD2 3.47Å; E1044-D1047 WeakPolarHBondContact O-CA 3.45Å; E1044-D1047 WeakPolarHBondContact O-CB 3.49Å; E1044-D1047 PolarHBondContact O-N 2.72Å; D1047-A1049 PolarHBondContact O-N 2.87Å; D1047-W1065 HydrophobicContact CB-CZ3 4.41Å; D1047-I1076 CarbonylContact C-O 3.57Å; D1047-I1076 WeakPolarHBondContact CA-O 3.27Å; D1047-I1076 HydrophobicContact CB-CG1 4.5Å; D1047-I1076 WeakPolarHBondContact OD1-CG1 3.3Å |
| 1048 | L | 90.5 | Very high | 84.7 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | trans | -85.2 | 99.6 | -177.5 | -176.1 | 72.6 | 0 | 0 | 0 | 110 | F1040 F1050 I1056 G1068 I1070 N1073 I1076 F1077 | F1040-L1048 VanDerWaalsContact CD1-O 3.28Å; F1040-L1048 WeakPolarHBondContact CD1-O 3.47Å; L1048-F1050 HydrophobicContact CD2-CD1 4.27Å; L1048-F1050 HydrophobicContact CG-CD1 4.23Å; L1048-F1050 WeakPolarHBondContact O-CD1 3.37Å; L1048-I1056 HydrophobicContact CD2-CD1 4.38Å; L1048-I1056 HydrophobicContact CD2-CG2 3.7Å; L1048-G1068 WeakPolarHBondContact CD2-O 3.47Å; L1048-I1070 HydrophobicContact CD1-CD1 4.44Å; L1048-I1070 HydrophobicContact CD2-CD1 3.96Å; L1048-I1070 HydrophobicContact CD2-CG1 4.09Å; L1048-I1070 HydrophobicContact CG-CD1 4.12Å; L1048-N1073 HydrophobicContact CD1-CB 4.06Å; L1048-N1073 WeakPolarHBondContact CD1-O 3.32Å; L1048-I1076 PolarHBondContact N-O 2.94Å; L1048-F1077 HydrophobicContact CB-CB 4.45Å; L1048-F1077 HydrophobicContact CB-CD1 3.97Å; L1048-F1077 HydrophobicContact CD2-CD1 3.65Å; L1048-F1077 HydrophobicContact CD2-CE1 3.85Å; L1048-F1077 HydrophobicContact CG-CD1 4.45Å | ||
| 1049 | A | 87.9 | Confident | 84.8 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | trans | -65.9 | 136.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1040 A1042 D1047 | F1040-A1049 WeakPolarHBondContact O-CA 3.07Å; A1042-A1049 HydrophobicContact CB-CB 3.78Å; D1047-A1049 PolarHBondContact O-N 2.87Å | ||
| 1050 | F | 91.7 | Very high | 84.5 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -159.3 | 162 | 175.3 | 56.6 | -104.8 | 0 | 0 | 0 | 113.7 | A1036 Y1038 S1039 F1040 L1048 D1054 I1056 I1070 F1077 V1082 | A1036-F1050 HydrophobicContact CB-CD2 3.4Å; A1036-F1050 VanDerWaalsContact CB-CD2 3.4Å; A1036-F1050 HydrophobicContact CB-CE2 3.53Å; A1036-F1050 HydrophobicContact CB-CG 4.42Å; Y1038-F1050 WeakPolarHBondContact O-CE2 3.31Å; S1039-F1050 CarbonylContact C-O 3.58Å; S1039-F1050 WeakPolarHBondContact CA-O 3.42Å; F1040-F1050 HydrophobicContact CB-CD1 4.22Å; F1040-F1050 HydrophobicContact CB-CD2 4.04Å; F1040-F1050 HydrophobicContact CB-CE1 3.85Å; F1040-F1050 HydrophobicContact CB-CE2 3.65Å; F1040-F1050 HydrophobicContact CB-CG 4.32Å; F1040-F1050 HydrophobicContact CB-CZ 3.56Å; F1040-F1050 HydrophobicContact CD1-CD1 4.49Å; F1040-F1050 AromaticContact CD1-CE1 3.99Å; F1040-F1050 HydrophobicContact CD1-CE1 3.99Å; F1040-F1050 HydrophobicContact CD1-CZ 4.37Å; F1040-F1050 HydrophobicContact CG-CE1 4.4Å; F1040-F1050 HydrophobicContact CG-CZ 4.37Å; F1040-F1050 PolarHBondContact N-O 2.73Å; F1040-F1050 PolarHBondContact O-N 3.29Å; L1048-F1050 HydrophobicContact CD2-CD1 4.27Å; L1048-F1050 HydrophobicContact CG-CD1 4.23Å; L1048-F1050 WeakPolarHBondContact O-CD1 3.37Å; F1050-D1054 HydrophobicContact CB-CB 4.2Å; F1050-I1056 HydrophobicContact CB-CD1 4.34Å; F1050-I1056 HydrophobicContact CD1-CD1 3.3Å; F1050-I1056 HydrophobicContact CD2-CD1 3.98Å; F1050-I1056 HydrophobicContact CE1-CD1 3.32Å; F1050-I1056 HydrophobicContact CE2-CD1 4Å; F1050-I1056 HydrophobicContact CG-CD1 3.64Å; F1050-I1056 HydrophobicContact CZ-CD1 3.68Å; F1050-I1070 HydrophobicContact CB-CD1 3.39Å; F1050-I1070 HydrophobicContact CD1-CD1 4.14Å; F1050-I1070 HydrophobicContact CG-CD1 4.13Å; F1050-F1077 HydrophobicContact CE1-CB 3.55Å; F1050-F1077 HydrophobicContact CE1-CD1 4.17Å; F1050-F1077 AromaticContact CE1-CD2 3.85Å; F1050-F1077 HydrophobicContact CE1-CD2 3.85Å; F1050-F1077 AromaticContact CE1-CG 3.59Å; F1050-F1077 HydrophobicContact CE1-CG 3.59Å; F1050-F1077 HydrophobicContact CZ-CB 4.18Å; F1050-F1077 HydrophobicContact CZ-CD2 4.01Å; F1050-F1077 HydrophobicContact CZ-CG 4.19Å; F1050-V1082 HydrophobicContact CE2-CG1 4.42Å; F1050-V1082 HydrophobicContact CZ-CG1 4Å |
| 1051 | N | 88.1 | Confident | 84.4 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | trans | -101.5 | 153 | 175.2 | -82.3 | -60.8 | 0 | 0 | 0 | 113 | A1036 S1039 G1053 D1054 | A1036-N1051 WeakPolarHBondContact CB-O 3.39Å; S1039-N1051 WeakPolarHBondContact CB-OD1 3.36Å; S1039-N1051 VanDerWaalsContact OG-CA 3.32Å; S1039-N1051 WeakPolarHBondContact OG-CA 3.46Å; S1039-N1051 PolarHBondContact OG-OD1 2.8Å; N1051-G1053 PolarHBondContact O-N 3.27Å; N1051-D1054 PolarHBondContact N-OD2 2.96Å; N1051-D1054 WeakPolarHBondContact O-CB 3.29Å; N1051-D1054 PolarHBondContact O-N 2.85Å | ||
| 1052 | A | 84.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 121.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1039 | S1039-A1052 PolarHBondContact OG-N 2.99Š|
| 1053 | G | 82.9 | Confident | 82.8 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105 | -13.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1035 A1036 N1051 | V1035-G1053 WeakPolarHBondContact CG2-O 3.36Å; A1036-G1053 PolarHBondContact O-N 2.67Å; N1051-G1053 PolarHBondContact O-N 3.27Å |
| 1054 | D | 89.1 | Confident | 83.2 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | trans | -67.5 | 139.3 | 177.6 | -73.9 | -22.4 | 0 | 0 | 0 | 112 | V1035 A1036 F1050 N1051 I1070 | V1035-D1054 CarbonylContact C-O 3.59Å; V1035-D1054 WeakPolarHBondContact CA-O 3.47Å; A1036-D1054 PolarHBondContact N-O 2.84Å; F1050-D1054 HydrophobicContact CB-CB 4.2Å; N1051-D1054 PolarHBondContact N-OD2 2.96Å; N1051-D1054 WeakPolarHBondContact O-CB 3.29Å; N1051-D1054 PolarHBondContact O-N 2.85Å; D1054-I1070 HydrophobicContact CB-CD1 4.33Å | ||
| 1055 | K | 89.8 | Confident | 83.7 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.8 | 175.2 | -72 | -170.1 | 175.8 | -167.2 | 0 | 110.2 | W1033 Y1034 L1085 | W1033-K1055 HydrophobicContact CE3-CB 3.97Å; W1033-K1055 HydrophobicContact CZ3-CB 4.04Å; Y1034-K1055 CarbonylContact O-C 3.57Å; Y1034-K1055 WeakPolarHBondContact O-CA 3.21Å; K1055-L1085 HydrophobicContact CD-CD2 3.92Å; K1055-L1085 HydrophobicContact CG-CD2 4.42Å |
| 1056 | I | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.7 | -177.1 | -43.7 | -164.4 | 0 | 0 | 0 | 109.4 | Y1034 L1048 F1050 V1058 I1070 F1077 V1082 | Y1034-I1056 PolarHBondContact N-O 3.44Å; Y1034-I1056 PolarHBondContact O-N 2.78Å; L1048-I1056 HydrophobicContact CD2-CD1 4.38Å; L1048-I1056 HydrophobicContact CD2-CG2 3.7Å; F1050-I1056 HydrophobicContact CB-CD1 4.34Å; F1050-I1056 HydrophobicContact CD1-CD1 3.3Å; F1050-I1056 HydrophobicContact CD2-CD1 3.98Å; F1050-I1056 HydrophobicContact CE1-CD1 3.32Å; F1050-I1056 HydrophobicContact CE2-CD1 4Å; F1050-I1056 HydrophobicContact CG-CD1 3.64Å; F1050-I1056 HydrophobicContact CZ-CD1 3.68Å; I1056-V1058 PolarHBondContact O-N 2.83Å; I1056-I1070 HydrophobicContact CB-CG1 4.26Å; I1056-I1070 HydrophobicContact CD1-CD1 3.94Å; I1056-I1070 HydrophobicContact CD1-CG1 4.47Å; I1056-I1070 HydrophobicContact CG1-CD1 3.82Å; I1056-I1070 HydrophobicContact CG1-CG1 3.91Å; I1056-I1070 HydrophobicContact CG2-CG1 4.18Å; I1056-F1077 HydrophobicContact CG2-CE1 3.81Å; I1056-F1077 HydrophobicContact CG2-CZ 3.94Å; I1056-V1082 HydrophobicContact CD1-CG1 3.72Å; I1056-V1082 HydrophobicContact CG1-CG1 4.48Å |
| 1057 | L | 90.8 | Very high | 85.2 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 109.5 | 169.8 | -174.1 | 66.2 | 0 | 0 | 0 | 108.3 | C1031 W1033 L1059 G1068 R1069 | C1031-L1057 HydrophobicContact CB-CD1 4.07Å; C1031-L1057 HydrophobicContact CB-CG 4.44Å; C1031-L1057 WeakPolarHBondContact O-CD1 3.46Å; W1033-L1057 HydrophobicContact CD2-CB 4.5Å; W1033-L1057 HydrophobicContact CD2-CD1 4.1Å; W1033-L1057 HydrophobicContact CE3-CB 4.11Å; W1033-L1057 HydrophobicContact CG-CD1 4.43Å; W1033-L1057 HydrophobicContact CH2-CB 4.05Å; W1033-L1057 HydrophobicContact CZ2-CB 4.42Å; W1033-L1057 HydrophobicContact CZ2-CD1 4.27Å; W1033-L1057 HydrophobicContact CZ3-CB 3.88Å; L1057-L1059 HydrophobicContact CD2-CD2 4.19Å; L1057-L1059 HydrophobicContact CG-CD2 4.28Å; L1057-L1059 PolarHBondContact O-N 3.25Å; L1057-G1068 CarbonylContact O-C 3.5Å; L1057-G1068 WeakPolarHBondContact O-CA 3.08Å; L1057-R1069 PolarHBondContact N-O 3.41Å; L1057-R1069 PolarHBondContact O-N 2.96Å |
| 1058 | V | 88.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.6 | -176.7 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | C1031 Q1032 Y1034 I1056 K1061 W1066 F1077 | C1031-V1058 WeakPolarHBondContact CA-O 3.49Å; Q1032-V1058 PolarHBondContact O-N 3.26Å; Y1034-V1058 HydrophobicContact CD1-CG2 4.37Å; Y1034-V1058 HydrophobicContact CD2-CB 4.07Å; Y1034-V1058 HydrophobicContact CD2-CG2 3.31Å; Y1034-V1058 HydrophobicContact CE2-CB 4.32Å; Y1034-V1058 HydrophobicContact CE2-CG2 3.94Å; Y1034-V1058 HydrophobicContact CG-CG2 3.57Å; I1056-V1058 PolarHBondContact O-N 2.83Å; V1058-K1061 HydrophobicContact CG1-CD 4.24Å; V1058-K1061 HydrophobicContact CG1-CG 3.63Å; V1058-W1066 HydrophobicContact CG1-CB 4.23Å; V1058-W1066 HydrophobicContact CG1-CD2 4.39Å; V1058-W1066 HydrophobicContact CG1-CE3 4.04Å; V1058-F1077 HydrophobicContact CG2-CZ 4.15Å |
| 1059 | L | 85.5 | Confident | 85.3 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -34.6 | -173.5 | -60.6 | 172.3 | 0 | 0 | 0 | 112.2 | L1057 T1067 R1069 E1074 | L1057-L1059 HydrophobicContact CD2-CD2 4.19Å; L1057-L1059 HydrophobicContact CG-CD2 4.28Å; L1057-L1059 PolarHBondContact O-N 3.25Å; L1059-T1067 PolarHBondContact N-O 2.79Å; L1059-R1069 HydrophobicContact CD1-CB 4.1Å; L1059-E1074 HydrophobicContact CD1-CG 3.82Å; L1059-E1074 WeakPolarHBondContact CD1-OE1 3.4Å; L1059-E1074 WeakPolarHBondContact CD1-OE2 3.35Å |
| 1060 | Q | 81.8 | Confident | 85.3 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 139.1 | -173.7 | -171.1 | 174.3 | 9.5 | 0 | 0 | 110.6 | D1062 W1066 T1067 | Q1060-D1062 HydrophobicContact CG-CB 4.28Å; Q1060-D1062 WeakPolarHBondContact CG-OD1 3.41Å; Q1060-D1062 WeakPolarHBondContact CG-OD2 3.44Å; Q1060-D1062 PolarHBondContact NE2-OD2 3Å; Q1060-W1066 WeakPolarHBondContact O-CA 3.48Å; Q1060-W1066 WeakPolarHBondContact O-CB 3.25Å; Q1060-T1067 PolarHBondContact N-O 3.3Å; Q1060-T1067 PolarHBondContact O-N 3.01Å; Q1060-T1067 PolarHBondContact OE1-OG1 3.26Å |
| 1061 | K | 84.4 | Confident | 84.8 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 27% | 0.27 | 33% | 0.332 | S | S | . | . | trans | -128 | 33.5 | -164.4 | -63.6 | -174.7 | -171.5 | 176.6 | 0 | 113.3 | Y1034 V1058 W1066 | Y1034-K1061 PolarHBondContact OH-NZ 3.46Å; Y1034-K1061 VanDerWaalsContact OH-NZ 3.09Å; V1058-K1061 HydrophobicContact CG1-CD 4.24Å; V1058-K1061 HydrophobicContact CG1-CG 3.63Å; K1061-W1066 VanDerWaalsContact CA-CD1 3.49Å; K1061-W1066 HydrophobicContact CB-CD2 4.46Å; K1061-W1066 HydrophobicContact CB-CG 4.46Å; K1061-W1066 HydrophobicContact CG-CD2 4.24Å; K1061-W1066 HydrophobicContact CG-CG 4.45Å | ||
| 1062 | D | 65.1 | Low | 84.3 | Confident | 124 Ų | 124 | 67.2 Ų | 67.2 | 66% | 0.663 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -90.8 | -12.2 | -154.6 | -62.5 | 18.4 | 0 | 0 | 0 | 114.3 | Q1060 | Q1060-D1062 HydrophobicContact CG-CB 4.28Å; Q1060-D1062 WeakPolarHBondContact CG-OD1 3.41Å; Q1060-D1062 WeakPolarHBondContact CG-OD2 3.44Å; Q1060-D1062 PolarHBondContact NE2-OD2 3Å |
| 1063 | S | 64.6 | Low | 84 | Confident | 73 Ų | 73 | 70 Ų | 70 | 51% | 0.51 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -143.2 | -165.2 | 178.8 | 86.7 | 0 | 0 | 0 | 0 | 112.2 | W1065 W1066 | S1063-W1065 WeakPolarHBondContact OG-CA 3.49Å; S1063-W1065 PolarHBondContact OG-N 3.38Å; S1063-W1065 PolarHBondContact OG-O 3.44Å; S1063-W1066 PolarHBondContact O-NE1 3.5Å; S1063-W1066 VanDerWaalsContact O-NE1 3.16Å |
| 1064 | Q | 79.7 | Confident | 84.2 | Confident | 111 Ų | 111 | 72 Ų | 72 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -73.5 | -11.9 | 165.8 | -70.2 | -159.5 | 17.8 | 0 | 0 | 112.8 | P1078 A1079 | Q1064-P1078 CarbonylContact O-C 3.55Å; Q1064-P1078 WeakPolarHBondContact O-CA 3.43Å; Q1064-A1079 WeakPolarHBondContact O-CB 2.95Å; Q1064-A1079 PolarHBondContact O-N 2.87Å |
| 1065 | W | 84.7 | Confident | 84.2 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.3 | 162.7 | -65.7 | 71.1 | 0 | 0 | 0 | 108.6 | F1040 D1047 S1063 I1076 F1077 P1078 | F1040-W1065 HydrophobicContact CE1-CZ3 4.09Å; F1040-W1065 HydrophobicContact CE2-CH2 4.37Å; F1040-W1065 HydrophobicContact CE2-CZ3 4.49Å; F1040-W1065 AromaticContact CZ-CH2 3.81Å; F1040-W1065 HydrophobicContact CZ-CH2 3.81Å; F1040-W1065 AromaticContact CZ-CZ3 3.57Å; F1040-W1065 HydrophobicContact CZ-CZ3 3.57Å; D1047-W1065 HydrophobicContact CB-CZ3 4.41Å; S1063-W1065 WeakPolarHBondContact OG-CA 3.49Å; S1063-W1065 PolarHBondContact OG-N 3.38Å; S1063-W1065 PolarHBondContact OG-O 3.44Å; W1065-I1076 HydrophobicContact CB-CB 4.49Å; W1065-I1076 HydrophobicContact CD2-CD1 4.35Å; W1065-I1076 HydrophobicContact CE3-CB 4.23Å; W1065-I1076 HydrophobicContact CE3-CD1 3.76Å; W1065-I1076 HydrophobicContact CE3-CG1 3.8Å; W1065-I1076 HydrophobicContact CZ3-CD1 4.29Å; W1065-I1076 HydrophobicContact CZ3-CG1 4.26Å; W1065-F1077 CarbonylContact C-O 3.6Å; W1065-F1077 VanDerWaalsContact CA-O 3.26Å; W1065-F1077 WeakPolarHBondContact CA-O 3.46Å; W1065-P1078 HydrophobicContact CD2-CG 4.24Å; W1065-P1078 HydrophobicContact CE3-CG 4.2Å; W1065-P1078 HydrophobicContact CH2-CG 4.01Å; W1065-P1078 HydrophobicContact CZ2-CG 4.01Å; W1065-P1078 HydrophobicContact CZ3-CG 4.1Å |
| 1066 | W | 91.8 | Very high | 84.2 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.5 | 177.8 | -70.7 | -7.2 | 0 | 0 | 0 | 110 | Y1034 V1058 Q1060 K1061 S1063 I1076 F1077 A1079 V1082 | Y1034-W1066 AromaticContact CD1-CZ3 3.91Å; Y1034-W1066 HydrophobicContact CD1-CZ3 3.91Å; Y1034-W1066 HydrophobicContact CE1-CE3 4.48Å; Y1034-W1066 AromaticContact CE1-CH2 3.88Å; Y1034-W1066 HydrophobicContact CE1-CH2 3.88Å; Y1034-W1066 AromaticContact CE1-CZ3 3.39Å; Y1034-W1066 HydrophobicContact CE1-CZ3 3.39Å; Y1034-W1066 AromaticContact CZ-CZ3 3.87Å; V1058-W1066 HydrophobicContact CG1-CB 4.23Å; V1058-W1066 HydrophobicContact CG1-CD2 4.39Å; V1058-W1066 HydrophobicContact CG1-CE3 4.04Å; Q1060-W1066 WeakPolarHBondContact O-CA 3.48Å; Q1060-W1066 WeakPolarHBondContact O-CB 3.25Å; K1061-W1066 VanDerWaalsContact CA-CD1 3.49Å; K1061-W1066 HydrophobicContact CB-CD2 4.46Å; K1061-W1066 HydrophobicContact CB-CG 4.46Å; K1061-W1066 HydrophobicContact CG-CD2 4.24Å; K1061-W1066 HydrophobicContact CG-CG 4.45Å; S1063-W1066 PolarHBondContact O-NE1 3.5Å; S1063-W1066 VanDerWaalsContact O-NE1 3.16Å; W1066-I1076 CarbonylContact O-C 3.57Å; W1066-I1076 VanDerWaalsContact O-CA 3.27Å; W1066-I1076 WeakPolarHBondContact O-CA 3.31Å; W1066-F1077 HydrophobicContact CB-CE1 4.48Å; W1066-F1077 HydrophobicContact CB-CE2 4.06Å; W1066-F1077 HydrophobicContact CB-CZ 3.97Å; W1066-F1077 HydrophobicContact CE3-CE2 4.3Å; W1066-F1077 PolarHBondContact N-O 3.13Å; W1066-F1077 VanDerWaalsContact O-CD1 3.31Å; W1066-F1077 WeakPolarHBondContact O-CD1 3.47Å; W1066-F1077 WeakPolarHBondContact O-CE1 3.22Å; W1066-F1077 PolarHBondContact O-N 3.36Å; W1066-A1079 HydrophobicContact CD2-CB 3.5Å; W1066-A1079 HydrophobicContact CE3-CB 3.97Å; W1066-A1079 HydrophobicContact CG-CB 3.85Å; W1066-A1079 HydrophobicContact CH2-CB 4.2Å; W1066-A1079 HydrophobicContact CZ2-CB 3.78Å; W1066-A1079 HydrophobicContact CZ3-CB 4.28Å; W1066-V1082 HydrophobicContact CE3-CG2 3.84Å; W1066-V1082 HydrophobicContact CZ3-CG2 3.62Å |
| 1067 | T | 88.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.1 | 173.9 | -31.4 | 0 | 0 | 0 | 0 | 108.9 | L1059 Q1060 G1075 I1076 | L1059-T1067 PolarHBondContact N-O 2.79Å; Q1060-T1067 PolarHBondContact N-O 3.3Å; Q1060-T1067 PolarHBondContact O-N 3.01Å; Q1060-T1067 PolarHBondContact OE1-OG1 3.26Å; T1067-G1075 WeakPolarHBondContact CA-O 3.33Å; T1067-I1076 HydrophobicContact CG2-CG2 4.29Å |
| 1068 | G | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | -179.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1048 L1057 E1074 G1075 | L1048-G1068 WeakPolarHBondContact CD2-O 3.47Å; L1057-G1068 CarbonylContact O-C 3.5Å; L1057-G1068 WeakPolarHBondContact O-CA 3.08Å; G1068-E1074 WeakPolarHBondContact O-CA 3.43Å; G1068-G1075 PolarHBondContact N-O 3.24Å; G1068-G1075 PolarHBondContact O-N 3.08Å |
| 1069 | R | 91 | Very high | 84.1 | Confident | 106 Ų | 106 | 66.2 Ų | 66.2 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.4 | -167.2 | -176 | -176.5 | -68.9 | -161.4 | -1.7 | 112.7 | L1057 L1059 G1071 N1073 E1074 | L1057-R1069 PolarHBondContact N-O 3.41Å; L1057-R1069 PolarHBondContact O-N 2.96Å; L1059-R1069 HydrophobicContact CD1-CB 4.1Å; R1069-G1071 VanDerWaalsContact CD-O 3.31Å; R1069-G1071 WeakPolarHBondContact CD-O 3.27Å; R1069-G1071 VanDerWaalsContact CG-O 3.27Å; R1069-G1071 WeakPolarHBondContact CG-O 3.46Å; R1069-N1073 CarbonylContact C-O 3.49Å; R1069-N1073 VanDerWaalsContact CA-O 3.23Å; R1069-N1073 WeakPolarHBondContact CA-O 3.28Å; R1069-N1073 WeakPolarHBondContact CG-O 3.2Å; R1069-E1074 HydrophobicContact CB-CB 4.48Å; R1069-E1074 IonicContact CZ-OE2 3.43Å; R1069-E1074 VanDerWaalsContact CZ-OE2 3.23Å; R1069-E1074 IonicContact NE-OE2 3.6Å; R1069-E1074 PolarHBondContact NE-OE2 3.45Å; R1069-E1074 IonicContact NH2-OE2 3.35Å; R1069-E1074 PolarHBondContact NH2-OE2 3.12Å |
| 1070 | I | 86.2 | Confident | 84.2 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.226 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 113.3 | 168.9 | -62 | 164.2 | 0 | 0 | 0 | 107.4 | L1048 F1050 D1054 I1056 E1072 N1073 | L1048-I1070 HydrophobicContact CD1-CD1 4.44Å; L1048-I1070 HydrophobicContact CD2-CD1 3.96Å; L1048-I1070 HydrophobicContact CD2-CG1 4.09Å; L1048-I1070 HydrophobicContact CG-CD1 4.12Å; F1050-I1070 HydrophobicContact CB-CD1 3.39Å; F1050-I1070 HydrophobicContact CD1-CD1 4.14Å; F1050-I1070 HydrophobicContact CG-CD1 4.13Å; D1054-I1070 HydrophobicContact CB-CD1 4.33Å; I1056-I1070 HydrophobicContact CB-CG1 4.26Å; I1056-I1070 HydrophobicContact CD1-CD1 3.94Å; I1056-I1070 HydrophobicContact CD1-CG1 4.47Å; I1056-I1070 HydrophobicContact CG1-CD1 3.82Å; I1056-I1070 HydrophobicContact CG1-CG1 3.91Å; I1056-I1070 HydrophobicContact CG2-CG1 4.18Å; I1070-E1072 PolarHBondContact O-N 3.15Å; I1070-N1073 PolarHBondContact N-O 2.85Å; I1070-N1073 PolarHBondContact O-N 3Å; I1070-N1073 VanDerWaalsContact O-N 3.08Å |
| 1071 | G | 80.9 | Confident | 84.6 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -120 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1069 | R1069-G1071 VanDerWaalsContact CD-O 3.31Å; R1069-G1071 WeakPolarHBondContact CD-O 3.27Å; R1069-G1071 VanDerWaalsContact CG-O 3.27Å; R1069-G1071 WeakPolarHBondContact CG-O 3.46Å |
| 1072 | E | 77.6 | Confident | 84.9 | Confident | 181 Ų | 181 | 61.2 Ų | 61.2 | 85% | 0.846 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -15 | 175.7 | -59.7 | -173.2 | 154.1 | 0 | 0 | 113.1 | I1070 E1074 | I1070-E1072 PolarHBondContact O-N 3.15Å; E1072-E1074 PolarHBondContact O-N 3.35Å |
| 1073 | N | 80 | Confident | 85.9 | Confident | 118 Ų | 118 | 61 Ų | 61 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.5 | 179.4 | -71 | -3.3 | 0 | 0 | 0 | 110.2 | L1048 R1069 I1070 | L1048-N1073 HydrophobicContact CD1-CB 4.06Å; L1048-N1073 WeakPolarHBondContact CD1-O 3.32Å; R1069-N1073 CarbonylContact C-O 3.49Å; R1069-N1073 VanDerWaalsContact CA-O 3.23Å; R1069-N1073 WeakPolarHBondContact CA-O 3.28Å; R1069-N1073 WeakPolarHBondContact CG-O 3.2Å; I1070-N1073 PolarHBondContact N-O 2.85Å; I1070-N1073 PolarHBondContact O-N 3Å; I1070-N1073 VanDerWaalsContact O-N 3.08Å |
| 1074 | E | 86.7 | Confident | 86.9 | Confident | 89 Ų | 89 | 61 Ų | 61 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.8 | 175.8 | -175.3 | 168.3 | 141.4 | 0 | 0 | 109.9 | L1059 G1068 R1069 E1072 | L1059-E1074 HydrophobicContact CD1-CG 3.82Å; L1059-E1074 WeakPolarHBondContact CD1-OE1 3.4Å; L1059-E1074 WeakPolarHBondContact CD1-OE2 3.35Å; G1068-E1074 WeakPolarHBondContact O-CA 3.43Å; R1069-E1074 HydrophobicContact CB-CB 4.48Å; R1069-E1074 IonicContact CZ-OE2 3.43Å; R1069-E1074 VanDerWaalsContact CZ-OE2 3.23Å; R1069-E1074 IonicContact NE-OE2 3.6Å; R1069-E1074 PolarHBondContact NE-OE2 3.45Å; R1069-E1074 IonicContact NH2-OE2 3.35Å; R1069-E1074 PolarHBondContact NH2-OE2 3.12Å; E1072-E1074 PolarHBondContact O-N 3.35Å |
| 1075 | G | 88 | Confident | 86.7 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1046 T1067 G1068 | G1046-G1075 WeakPolarHBondContact O-CA 3.49Å; T1067-G1075 WeakPolarHBondContact CA-O 3.33Å; G1068-G1075 PolarHBondContact N-O 3.24Å; G1068-G1075 PolarHBondContact O-N 3.08Å |
| 1076 | I | 89.9 | Confident | 85.2 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 149.2 | 177.1 | 63.9 | 170.4 | 0 | 0 | 0 | 112 | R582 G1046 D1047 L1048 W1065 W1066 T1067 | R582-I1076 VanDerWaalsContact NH2-CD1 3.27Å; G1046-I1076 PolarHBondContact O-N 2.68Å; G1046-I1076 VanDerWaalsContact O-N 3.09Å; D1047-I1076 CarbonylContact C-O 3.57Å; D1047-I1076 WeakPolarHBondContact CA-O 3.27Å; D1047-I1076 HydrophobicContact CB-CG1 4.5Å; D1047-I1076 WeakPolarHBondContact OD1-CG1 3.3Å; L1048-I1076 PolarHBondContact N-O 2.94Å; W1065-I1076 HydrophobicContact CB-CB 4.49Å; W1065-I1076 HydrophobicContact CD2-CD1 4.35Å; W1065-I1076 HydrophobicContact CE3-CB 4.23Å; W1065-I1076 HydrophobicContact CE3-CD1 3.76Å; W1065-I1076 HydrophobicContact CE3-CG1 3.8Å; W1065-I1076 HydrophobicContact CZ3-CD1 4.29Å; W1065-I1076 HydrophobicContact CZ3-CG1 4.26Å; W1066-I1076 CarbonylContact O-C 3.57Å; W1066-I1076 VanDerWaalsContact O-CA 3.27Å; W1066-I1076 WeakPolarHBondContact O-CA 3.31Å; T1067-I1076 HydrophobicContact CG2-CG2 4.29Å |
| 1077 | F | 92.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 153.6 | 175 | 57.4 | -90 | 0 | 0 | 0 | 112 | F1040 L1048 F1050 I1056 V1058 W1065 W1066 A1079 V1082 | F1040-F1077 HydrophobicContact CD1-CB 3.56Å; F1040-F1077 HydrophobicContact CE1-CB 3.72Å; L1048-F1077 HydrophobicContact CB-CB 4.45Å; L1048-F1077 HydrophobicContact CB-CD1 3.97Å; L1048-F1077 HydrophobicContact CD2-CD1 3.65Å; L1048-F1077 HydrophobicContact CD2-CE1 3.85Å; L1048-F1077 HydrophobicContact CG-CD1 4.45Å; F1050-F1077 HydrophobicContact CE1-CB 3.55Å; F1050-F1077 HydrophobicContact CE1-CD1 4.17Å; F1050-F1077 AromaticContact CE1-CD2 3.85Å; F1050-F1077 HydrophobicContact CE1-CD2 3.85Å; F1050-F1077 AromaticContact CE1-CG 3.59Å; F1050-F1077 HydrophobicContact CE1-CG 3.59Å; F1050-F1077 HydrophobicContact CZ-CB 4.18Å; F1050-F1077 HydrophobicContact CZ-CD2 4.01Å; F1050-F1077 HydrophobicContact CZ-CG 4.19Å; I1056-F1077 HydrophobicContact CG2-CE1 3.81Å; I1056-F1077 HydrophobicContact CG2-CZ 3.94Å; V1058-F1077 HydrophobicContact CG2-CZ 4.15Å; W1065-F1077 CarbonylContact C-O 3.6Å; W1065-F1077 VanDerWaalsContact CA-O 3.26Å; W1065-F1077 WeakPolarHBondContact CA-O 3.46Å; W1066-F1077 HydrophobicContact CB-CE1 4.48Å; W1066-F1077 HydrophobicContact CB-CE2 4.06Å; W1066-F1077 HydrophobicContact CB-CZ 3.97Å; W1066-F1077 HydrophobicContact CE3-CE2 4.3Å; W1066-F1077 PolarHBondContact N-O 3.13Å; W1066-F1077 VanDerWaalsContact O-CD1 3.31Å; W1066-F1077 WeakPolarHBondContact O-CD1 3.47Å; W1066-F1077 WeakPolarHBondContact O-CE1 3.22Å; W1066-F1077 PolarHBondContact O-N 3.36Å; F1077-A1079 PolarHBondContact O-N 3.34Å; F1077-V1082 HydrophobicContact CD2-CG1 4.09Å; F1077-V1082 HydrophobicContact CE2-CB 4.37Å; F1077-V1082 HydrophobicContact CE2-CG1 3.61Å; F1077-V1082 HydrophobicContact CE2-CG2 3.78Å; F1077-V1082 HydrophobicContact CZ-CG1 4.39Å |
| 1078 | P | 89 | Confident | 80.3 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 122.8 | 177.1 | -22.8 | 33.8 | 0 | 0 | 0 | 111.8 | F1040 Q1064 W1065 N1080 Y1081 | F1040-P1078 HydrophobicContact CD2-CG 4.18Å; F1040-P1078 VanDerWaalsContact CE1-CD 3.44Å; F1040-P1078 HydrophobicContact CE2-CG 3.86Å; F1040-P1078 VanDerWaalsContact CZ-CD 3.42Å; F1040-P1078 HydrophobicContact CZ-CG 4.08Å; Q1064-P1078 CarbonylContact O-C 3.55Å; Q1064-P1078 WeakPolarHBondContact O-CA 3.43Å; W1065-P1078 HydrophobicContact CD2-CG 4.24Å; W1065-P1078 HydrophobicContact CE3-CG 4.2Å; W1065-P1078 HydrophobicContact CH2-CG 4.01Å; W1065-P1078 HydrophobicContact CZ2-CG 4.01Å; W1065-P1078 HydrophobicContact CZ3-CG 4.1Å; P1078-N1080 WeakPolarHBondContact CB-OD1 3.48Å; P1078-N1080 PolarHBondContact O-N 2.79Å; P1078-Y1081 HydrophobicContact CB-CD2 3.76Å; P1078-Y1081 HydrophobicContact CB-CE2 4.15Å; P1078-Y1081 HydrophobicContact CG-CD2 4.27Å; P1078-Y1081 HydrophobicContact CG-CE2 4.36Å; P1078-Y1081 WeakPolarHBondContact O-CB 3.31Å; P1078-Y1081 PolarHBondContact O-N 3.37Å |
| 1079 | A | 88.1 | Confident | 77.5 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -57.5 | -22 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1064 W1066 F1077 Y1081 V1082 | Q1064-A1079 WeakPolarHBondContact O-CB 2.95Å; Q1064-A1079 PolarHBondContact O-N 2.87Å; W1066-A1079 HydrophobicContact CD2-CB 3.5Å; W1066-A1079 HydrophobicContact CE3-CB 3.97Å; W1066-A1079 HydrophobicContact CG-CB 3.85Å; W1066-A1079 HydrophobicContact CH2-CB 4.2Å; W1066-A1079 HydrophobicContact CZ2-CB 3.78Å; W1066-A1079 HydrophobicContact CZ3-CB 4.28Å; F1077-A1079 PolarHBondContact O-N 3.34Å; A1079-Y1081 VanDerWaalsContact C-N 3.28Å; A1079-Y1081 PolarHBondContact O-N 2.78Å; A1079-V1082 WeakPolarHBondContact O-CG2 3.38Å |
| 1080 | N | 88.2 | Confident | 74.7 | Confident | 29 Ų | 29 | 81.5 Ų | 81.5 | 16% | 0.155 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -78.4 | -6.3 | 176.6 | 63.8 | -35.7 | 0 | 0 | 0 | 114.5 | P1078 S1412 | P1078-N1080 WeakPolarHBondContact CB-OD1 3.48Å; P1078-N1080 PolarHBondContact O-N 2.79Å; N1080-S1412 VanDerWaalsContact CA-CB 3.5Å; N1080-S1412 WeakPolarHBondContact O-CB 3.14Å |
| 1081 | Y | 89.7 | Confident | 72.1 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -87.6 | -2.3 | 175.7 | -80.4 | -119.1 | 0 | 0 | 0 | 113.4 | A1036 V1037 S1039 F1040 P1078 A1079 | A1036-Y1081 CarbonylContact C-O 3.5Å; A1036-Y1081 WeakPolarHBondContact CA-O 3.41Å; V1037-Y1081 PolarHBondContact N-O 3.5Å; S1039-Y1081 WeakPolarHBondContact O-CE1 3.33Å; F1040-Y1081 HydrophobicContact CB-CD1 3.57Å; F1040-Y1081 HydrophobicContact CB-CE1 4.03Å; F1040-Y1081 HydrophobicContact CB-CG 4.2Å; F1040-Y1081 HydrophobicContact CD2-CD1 4.34Å; F1040-Y1081 HydrophobicContact CD2-CE1 4.16Å; F1040-Y1081 HydrophobicContact CG-CD1 4.29Å; P1078-Y1081 HydrophobicContact CB-CD2 3.76Å; P1078-Y1081 HydrophobicContact CB-CE2 4.15Å; P1078-Y1081 HydrophobicContact CG-CD2 4.27Å; P1078-Y1081 HydrophobicContact CG-CE2 4.36Å; P1078-Y1081 WeakPolarHBondContact O-CB 3.31Å; P1078-Y1081 PolarHBondContact O-N 3.37Å; A1079-Y1081 VanDerWaalsContact C-N 3.28Å; A1079-Y1081 PolarHBondContact O-N 2.78Å |
| 1082 | V | 90.4 | Very high | 69.7 | Low | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.036 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157.4 | -176 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | Y1034 V1035 F1050 I1056 W1066 F1077 A1079 | Y1034-V1082 HydrophobicContact CD1-CB 4.02Å; Y1034-V1082 HydrophobicContact CD1-CG2 3.67Å; Y1034-V1082 HydrophobicContact CE1-CG2 4.37Å; Y1034-V1082 HydrophobicContact CG-CG2 4.39Å; V1035-V1082 WeakPolarHBondContact O-CA 3.3Å; F1050-V1082 HydrophobicContact CE2-CG1 4.42Å; F1050-V1082 HydrophobicContact CZ-CG1 4Å; I1056-V1082 HydrophobicContact CD1-CG1 3.72Å; I1056-V1082 HydrophobicContact CG1-CG1 4.48Å; W1066-V1082 HydrophobicContact CE3-CG2 3.84Å; W1066-V1082 HydrophobicContact CZ3-CG2 3.62Å; F1077-V1082 HydrophobicContact CD2-CG1 4.09Å; F1077-V1082 HydrophobicContact CE2-CB 4.37Å; F1077-V1082 HydrophobicContact CE2-CG1 3.61Å; F1077-V1082 HydrophobicContact CE2-CG2 3.78Å; F1077-V1082 HydrophobicContact CZ-CG1 4.39Å; A1079-V1082 WeakPolarHBondContact O-CG2 3.38Å |
| 1083 | K | 85.4 | Confident | 67.4 | Low | 118 Ų | 118 | 82.5 Ų | 82.5 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.6 | 167.5 | 65 | 179.8 | 177.5 | 176.1 | 0 | 110.1 | Y1034 V1035 V1037 L1085 | Y1034-K1083 CarbonylContact C-O 3.53Å; Y1034-K1083 WeakPolarHBondContact CA-O 3.23Å; Y1034-K1083 VanDerWaalsContact CB-O 3.29Å; Y1034-K1083 WeakPolarHBondContact CB-O 3.46Å; Y1034-K1083 WeakPolarHBondContact CD1-O 3.16Å; V1035-K1083 HydrophobicContact CG1-CD 4.13Å; V1035-K1083 HydrophobicContact CG1-CG 3.59Å; V1035-K1083 PolarHBondContact N-O 3.39Å; V1035-K1083 PolarHBondContact O-N 2.74Å; V1037-K1083 HydrophobicContact CG2-CB 3.77Å; V1037-K1083 HydrophobicContact CG2-CD 3.87Å; V1037-K1083 HydrophobicContact CG2-CG 3.63Å; K1083-L1085 PolarHBondContact O-N 2.84Å |
| 1084 | P | 85.5 | Confident | 65.1 | Low | 73 Ų | 73 | 83 Ų | 83 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 139.7 | 174.6 | -23.1 | 32.9 | 0 | 0 | 0 | 111.3 | Y1034 V1086 | Y1034-P1084 HydrophobicContact CD1-CG 4.28Å; Y1034-P1084 VanDerWaalsContact CD1-N 3.34Å; Y1034-P1084 HydrophobicContact CE1-CB 4.3Å; Y1034-P1084 HydrophobicContact CE1-CG 3.7Å; P1084-V1086 PolarHBondContact O-N 2.84Å; P1084-V1086 VanDerWaalsContact O-N 3.13Å |
| 1085 | L | 75.6 | Confident | 62.5 | Low | 42 Ų | 42 | 84.8 Ų | 84.8 | 22% | 0.22 | 47% | 0.472 | C | S | . | . | trans | -78.7 | 94.3 | 170.9 | -176.2 | 72.4 | 0 | 0 | 0 | 107.9 | W1033 V1035 K1055 K1083 E1087 | W1033-L1085 HydrophobicContact CB-CB 3.93Å; W1033-L1085 HydrophobicContact CB-CD2 3.85Å; W1033-L1085 HydrophobicContact CG-CD2 4.49Å; W1033-L1085 WeakPolarHBondContact O-CB 3.35Å; W1033-L1085 PolarHBondContact O-N 3.01Å; V1035-L1085 HydrophobicContact CB-CD1 4.25Å; V1035-L1085 HydrophobicContact CG1-CD1 4.3Å; K1055-L1085 HydrophobicContact CD-CD2 3.92Å; K1055-L1085 HydrophobicContact CG-CD2 4.42Å; K1083-L1085 PolarHBondContact O-N 2.84Å; L1085-E1087 HydrophobicContact CD2-CG 4.38Å; L1085-E1087 HydrophobicContact CG-CG 4.35Å; L1085-E1087 PolarHBondContact O-N 3.24Å | ||
| 1086 | V | 54.9 | Low | 59.7 | Low | 121 Ų | 121 | 89.5 Ų | 89.5 | 73% | 0.733 | 50% | 0.504 | S | S | * | . | trans | -77 | 115.7 | 167.8 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | P1084 | P1084-V1086 PolarHBondContact O-N 2.84Å; P1084-V1086 VanDerWaalsContact O-N 3.13Å | ||
| 1087 | E | 42.6 | Very low | 56.9 | Low | 139 Ų | 139 | 91.2 Ų | 91.2 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | trans | -82.2 | 113.8 | 173.7 | -59.8 | -167.4 | 135.5 | 0 | 0 | 108.6 | L1085 E1089 | L1085-E1087 HydrophobicContact CD2-CG 4.38Å; L1085-E1087 HydrophobicContact CG-CG 4.35Å; L1085-E1087 PolarHBondContact O-N 3.24Å; E1087-E1089 PolarHBondContact O-N 3.49Å; E1087-E1089 VanDerWaalsContact O-N 3.08Å | ||
| 1088 | E | 33.6 | Very low | 54.1 | Low | 157 Ų | 157 | 99.7 Ų | 99.7 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | trans | -76.6 | 90.1 | 172.5 | -72.4 | -167.3 | 175.8 | 0 | 0 | 109.4 | H1090 | E1088-H1090 PolarHBondContact O-N 3.49Š| ||
| 1089 | E | 32 | Very low | 51.4 | Low | 191 Ų | 191 | 109.8 Ų | 109.8 | 89% | 0.893 | 60% | 0.602 | S | S | * | * | trans | -66.2 | 95.5 | 169.8 | -73.6 | -159 | 129.5 | 0 | 0 | 111 | E1087 A1091 | E1087-E1089 PolarHBondContact O-N 3.49Å; E1087-E1089 VanDerWaalsContact O-N 3.08Å; E1089-A1091 PolarHBondContact O-N 3.13Å; E1089-A1091 VanDerWaalsContact O-N 3.15Å | ||
| 1090 | H | 33 | Very low | 48.5 | Very low | 174 Ų | 174 | 115.1 Ų | 115.1 | 81% | 0.806 | 63% | 0.633 | S | S | * | * | trans | -67.9 | 101.4 | 165 | -66.6 | -53.6 | 0 | 0 | 0 | 111 | E1088 | E1088-H1090 PolarHBondContact O-N 3.49Š| ||
| 1091 | A | 30.8 | Very low | 45.8 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 72% | 0.719 | 66% | 0.662 | S | S | * | * | trans | 177.5 | 128.6 | 131.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | E1089 | E1089-A1091 PolarHBondContact O-N 3.13Å; E1089-A1091 VanDerWaalsContact O-N 3.15Å | ||
| 1092 | S | 30.5 | Very low | 43 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | 68.7 | 109.7 | 135 | -59.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1093 | S | 29.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | 70.9 | 150.4 | 151.7 | 74.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1094 | V | 32.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | cis | -139.8 | 154.5 | 29.3 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1095 | V | 31.2 | Very low | 34.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -46.1 | 166.7 | 173.7 | -75.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1096 | S | 30.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | cis | -166.5 | 160 | 12.7 | -131.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1097 | A | 31 | Very low | 31.4 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 59.9 | 159.4 | 149 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1098 | E | 32.7 | Very low | 30.9 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | cis | -130.8 | 130.7 | 9.1 | -71.1 | -179.5 | 146.8 | 0 | 0 | 109.5 | ||||
| 1099 | R | 33.3 | Very low | 30.7 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 63.1 | 135.5 | 82.5 | -74.9 | -173.6 | 177.9 | -178.2 | -0.3 | 116.1 | |||||
| 1100 | T | 27.2 | Very low | 30.3 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -168 | 149 | -19.5 | 9.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1101 | G | 31.7 | Very low | 30 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -171.2 | 108 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1102 | N | 29.2 | Very low | 29.9 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -63.2 | 167.7 | 179.9 | -50.4 | -9.6 | 0 | 0 | 0 | 111.6 | ||||
| 1103 | E | 32.4 | Very low | 29.6 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | cis | -134.6 | 168.1 | 24.3 | -66 | 172.5 | 150.6 | 0 | 0 | 113.1 | ||||
| 1104 | S | 26.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -139.9 | -173.2 | -169.8 | 52 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1105 | E | 30.1 | Very low | 29.4 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | 82 | 144.4 | 165.4 | -71.3 | 168.9 | -160.4 | 0 | 0 | 116 | ||||
| 1106 | E | 30.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | cis | -160.6 | 175.7 | 2.9 | -117.8 | -152.7 | 137.1 | 0 | 0 | 107.8 | ||||
| 1107 | N | 28.9 | Very low | 30.1 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 52% | 0.519 | 78% | 0.784 | S | S | . | * | cis | -160.9 | 138.1 | -34.7 | -146.3 | -25.4 | 0 | 0 | 0 | 107.3 | ||||
| 1108 | S | 31.3 | Very low | 31 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -171.9 | 105.2 | 158.6 | -89.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1109 | R | 29.3 | Very low | 33.1 | Very low | 215 Ų | 215 | 132.7 Ų | 132.7 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -93.5 | 145.2 | 175.9 | -63.7 | 169.4 | 168.4 | 136.8 | -7.6 | 110.5 | ||||
| 1110 | C | 24.6 | Very low | 35.6 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 91% | 0.912 | 72% | 0.718 | S | S | * | * | trans | -151.8 | 140.1 | 131.6 | -104 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1111 | T | 25.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 117 Ų | 117 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -107.7 | 123.2 | -173.4 | -33.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1112 | L | 28.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 116.4 Ų | 116.4 | 88% | 0.88 | 66% | 0.657 | S | S | * | * | trans | -138.2 | 108.9 | 161.3 | -76 | 179.6 | 0 | 0 | 0 | 109.3 | ||||
| 1113 | A | 25.8 | Very low | 44 | Very low | 95 Ų | 95 | 109.3 Ų | 109.3 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | trans | -75.9 | 123.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | P1115 | A1113-P1115 WeakPolarHBondContact O-CD 3.22Š| ||
| 1114 | V | 27.8 | Very low | 46.7 | Very low | 133 Ų | 133 | 105 Ų | 105 | 81% | 0.806 | 60% | 0.601 | S | S | * | * | trans | -84.9 | 114.5 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1115 | P | 29.4 | Very low | 49.5 | Very low | 106 Ų | 106 | 101.6 Ų | 101.6 | 69% | 0.688 | 58% | 0.579 | S | S | * | * | trans | -70.4 | 149.4 | 174.9 | 30.7 | -34.5 | 0 | 0 | 0 | 110.1 | A1113 S1117 | A1113-P1115 WeakPolarHBondContact O-CD 3.22Å; P1115-S1117 PolarHBondContact O-N 3.39Å | ||
| 1116 | V | 30 | Very low | 52.3 | Low | 142 Ų | 142 | 97.1 Ų | 97.1 | 86% | 0.861 | 57% | 0.565 | S | S | * | * | trans | -69.4 | 99.2 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | C1118 | V1116-C1118 PolarHBondContact O-N 2.85Å; V1116-C1118 VanDerWaalsContact O-N 3.13Å | ||
| 1117 | S | 45.9 | Very low | 55 | Low | 92 Ų | 92 | 90.5 Ų | 90.5 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | trans | -68.1 | 107.9 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 110 | P1115 E1119 | P1115-S1117 PolarHBondContact O-N 3.39Å; S1117-E1119 PolarHBondContact O-N 2.92Å | ||
| 1118 | C | 49.1 | Very low | 57.8 | Low | 64 Ų | 64 | 94.5 Ų | 94.5 | 43% | 0.432 | 55% | 0.546 | S | S | . | . | trans | -61.2 | 119 | 162.3 | -64 | 0 | 0 | 0 | 0 | 107.9 | V1116 R1144 | V1116-C1118 PolarHBondContact O-N 2.85Å; V1116-C1118 VanDerWaalsContact O-N 3.13Å; C1118-R1144 HydrophobicContact CB-CG 4.14Å; C1118-R1144 PolarHBondContact SG-NH2 3.21Å | ||
| 1119 | E | 78.3 | Confident | 60.2 | Low | 85 Ų | 85 | 90.3 Ų | 90.3 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 141.2 | 174.5 | -66.2 | 175.4 | 91.1 | 0 | 0 | 109.3 | S1117 I1145 K1148 L1176 | S1117-E1119 PolarHBondContact O-N 2.92Å; E1119-I1145 HydrophobicContact CB-CB 4.49Å; E1119-I1145 PolarHBondContact O-N 3.21Å; E1119-K1148 IonicContact OE1-NZ 2.73Å; E1119-K1148 PolarHBondContact OE1-NZ 3.28Å; E1119-K1148 WeakPolarHBondContact OE2-CE 3.31Å; E1119-K1148 IonicContact OE2-NZ 3.42Å; E1119-K1148 PolarHBondContact OE2-NZ 2.92Å; E1119-L1176 HydrophobicContact CB-CD2 3.72Å; E1119-L1176 HydrophobicContact CG-CD2 4.34Å; E1119-L1176 WeakPolarHBondContact OE1-CD2 3.37Å |
| 1120 | V | 84.4 | Confident | 62.6 | Low | 29 Ų | 29 | 85.8 Ų | 85.8 | 18% | 0.176 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.5 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | I1142 L1177 | V1120-I1142 HydrophobicContact CG1-CG2 3.54Å; V1120-L1177 HydrophobicContact CG1-CD1 4.27Å; V1120-L1177 WeakPolarHBondContact O-CB 3.43Å; V1120-L1177 PolarHBondContact O-N 3.24Å |
| 1121 | G | 85.7 | Confident | 64.8 | Low | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1143 K1175 | G1121-V1143 PolarHBondContact N-O 2.68Å; G1121-V1143 PolarHBondContact O-N 3.22Å; G1121-K1175 CarbonylContact C-O 3.58Å; G1121-K1175 WeakPolarHBondContact CA-O 3.49Å |
| 1122 | E | 90.9 | Very high | 67.3 | Low | 60 Ų | 60 | 85.1 Ų | 85.1 | 28% | 0.28 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.7 | 174.6 | 176.2 | -170 | -166.2 | 0 | 0 | 108.6 | I1124 D1141 I1142 V1174 K1175 L1177 | E1122-I1124 PolarHBondContact O-N 2.85Å; E1122-D1141 CarbonylContact C-O 3.6Å; E1122-D1141 WeakPolarHBondContact CA-O 3.45Å; E1122-I1142 HydrophobicContact CB-CD1 4.42Å; E1122-V1174 CarbonylContact O-C 3.4Å; E1122-V1174 WeakPolarHBondContact O-CA 3.45Å; E1122-K1175 PolarHBondContact N-O 3.07Å; E1122-K1175 PolarHBondContact O-N 2.92Å; E1122-K1175 IonicContact OE2-NZ 3.9Å; E1122-K1175 PolarHBondContact OE2-NZ 3.32Å; E1122-L1177 HydrophobicContact CB-CD2 4.1Å; E1122-L1177 HydrophobicContact CB-CG 4.36Å |
| 1123 | A | 88.6 | Confident | 69.7 | Low | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.008 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1137 E1138 P1139 G1140 D1141 Y1173 V1174 | A1123-L1137 HydrophobicContact CB-CB 3.98Å; A1123-L1137 HydrophobicContact CB-CD1 4.12Å; A1123-E1138 VanDerWaalsContact CB-O 3.31Å; A1123-E1138 WeakPolarHBondContact CB-O 3.31Å; A1123-P1139 WeakPolarHBondContact O-CA 3.41Å; A1123-G1140 PolarHBondContact O-N 3.32Å; A1123-D1141 HydrophobicContact CB-CB 3.95Å; A1123-D1141 PolarHBondContact N-O 2.93Å; A1123-Y1173 CarbonylContact C-O 3.52Å; A1123-Y1173 WeakPolarHBondContact CA-O 3.38Å; A1123-V1174 HydrophobicContact CB-CG2 4.42Å |
| 1124 | I | 89.2 | Confident | 72.6 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | trans | -104.4 | -8.3 | -176.7 | 54.3 | 167.9 | 0 | 0 | 0 | 113.7 | E1122 Y1173 K1175 | E1122-I1124 PolarHBondContact O-N 2.85Å; I1124-Y1173 WeakPolarHBondContact CG1-O 3.38Å; I1124-Y1173 PolarHBondContact N-O 2.84Å; I1124-K1175 HydrophobicContact CG2-CB 3.53Å; I1124-K1175 HydrophobicContact CG2-CD 4.13Å; I1124-K1175 HydrophobicContact CG2-CG 4.5Å | ||
| 1125 | A | 85 | Confident | 75.5 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 25% | 0.248 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -149.7 | 152.4 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | F1127 Y1173 | A1125-F1127 PolarHBondContact O-N 2.64Å; A1125-Y1173 HydrophobicContact CB-CD1 3.6Å; A1125-Y1173 HydrophobicContact CB-CE1 4.01Å; A1125-Y1173 HydrophobicContact CB-CG 4.42Å |
| 1126 | P | 89.7 | Confident | 78.3 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | trans | -72.4 | 121.4 | 177.7 | 28.5 | -31.5 | 0 | 0 | 0 | 110.3 | L1137 P1139 Y1173 | P1126-L1137 CarbonylContact C-O 3.39Å; P1126-L1137 VanDerWaalsContact CA-O 3.28Å; P1126-L1137 WeakPolarHBondContact CA-O 3.49Å; P1126-P1139 HydrophobicContact CB-CG 4.42Å; P1126-P1139 HydrophobicContact CG-CG 4.49Å; P1126-Y1173 WeakPolarHBondContact O-CE1 3.22Å | ||
| 1127 | F | 87.5 | Confident | 81.1 | Confident | 19 Ų | 19 | 62 Ų | 62 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -108.6 | 122.2 | 174.2 | 178 | -115.3 | 0 | 0 | 0 | 110.1 | A1125 Q1134 L1135 P1136 L1137 W1153 F1169 P1170 Y1173 | A1125-F1127 PolarHBondContact O-N 2.64Å; F1127-Q1134 HydrophobicContact CE1-CB 4.17Å; F1127-Q1134 HydrophobicContact CZ-CB 4.49Å; F1127-L1135 VanDerWaalsContact CD1-O 3.3Å; F1127-L1135 WeakPolarHBondContact CD1-O 3.22Å; F1127-P1136 CarbonylContact O-C 3.6Å; F1127-P1136 VanDerWaalsContact O-CA 3.27Å; F1127-P1136 WeakPolarHBondContact O-CA 3.33Å; F1127-L1137 HydrophobicContact CB-CB 4.13Å; F1127-L1137 HydrophobicContact CB-CD1 4.37Å; F1127-L1137 HydrophobicContact CB-CG 4.33Å; F1127-L1137 PolarHBondContact N-O 3.23Å; F1127-L1137 PolarHBondContact O-N 3.39Å; F1127-W1153 HydrophobicContact CE1-CZ3 4.08Å; F1127-W1153 HydrophobicContact CE2-CH2 4.18Å; F1127-W1153 HydrophobicContact CE2-CZ3 4.41Å; F1127-W1153 AromaticContact CZ-CH2 3.67Å; F1127-W1153 HydrophobicContact CZ-CH2 3.67Å; F1127-W1153 AromaticContact CZ-CZ3 3.6Å; F1127-W1153 HydrophobicContact CZ-CZ3 3.6Å; F1127-F1169 HydrophobicContact CD1-CB 3.76Å; F1127-F1169 HydrophobicContact CE1-CB 4.1Å; F1127-P1170 HydrophobicContact CD2-CG 4.02Å; F1127-P1170 HydrophobicContact CE2-CG 3.79Å; F1127-P1170 HydrophobicContact CZ-CG 4.22Å; F1127-Y1173 HydrophobicContact CB-CD1 3.63Å; F1127-Y1173 HydrophobicContact CB-CE1 4.08Å; F1127-Y1173 HydrophobicContact CB-CG 4.01Å; F1127-Y1173 HydrophobicContact CD2-CD1 4.47Å; F1127-Y1173 HydrophobicContact CD2-CE1 4.3Å; F1127-Y1173 HydrophobicContact CD2-CE2 4.36Å; F1127-Y1173 HydrophobicContact CG-CD1 4.45Å |
| 1128 | K | 86.5 | Confident | 83.1 | Confident | 180 Ų | 180 | 63.5 Ų | 63.5 | 78% | 0.783 | 35% | 0.353 | S | S | * | . | trans | -92 | 121.1 | 174.1 | -76.9 | -175.1 | 174.7 | 179.2 | 0 | 110.3 | T1130 | K1128-T1130 PolarHBondContact O-N 2.66Š| ||
| 1129 | A | 82.8 | Confident | 84.8 | Confident | 40 Ų | 40 | 64 Ų | 64 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | trans | -60.7 | 118.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1134 P1136 | A1129-Q1134 HydrophobicContact CB-CB 3.71Å; A1129-Q1134 WeakPolarHBondContact CB-O 3.34Å; A1129-P1136 HydrophobicContact CB-CB 4.14Å; A1129-P1136 HydrophobicContact CB-CG 4.36Å | ||
| 1130 | T | 79.4 | Confident | 85 | Confident | 121 Ų | 121 | 61.7 Ų | 61.7 | 74% | 0.742 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -88.9 | -21.4 | 176.6 | -24.1 | 0 | 0 | 0 | 0 | 111.6 | K1128 Q1134 | K1128-T1130 PolarHBondContact O-N 2.66Å; T1130-Q1134 PolarHBondContact OG1-OE1 3.38Å |
| 1131 | E | 71.4 | Confident | 85.1 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -135.2 | 159.1 | -175 | -62.5 | 172.8 | 156.2 | 0 | 0 | 109.7 | N1133 Q1134 | E1131-N1133 VanDerWaalsContact C-N 3.26Å; E1131-N1133 WeakPolarHBondContact CB-OD1 3.37Å; E1131-N1133 PolarHBondContact O-N 2.75Å; E1131-N1133 PolarHBondContact OE2-OD1 2.86Å; E1131-Q1134 HydrophobicContact CB-CG 4.11Å; E1131-Q1134 VanDerWaalsContact CD-NE2 3.31Å; E1131-Q1134 WeakPolarHBondContact O-CB 3.21Å; E1131-Q1134 PolarHBondContact O-N 2.88Å; E1131-Q1134 VanDerWaalsContact O-N 3.09Å; E1131-Q1134 PolarHBondContact OE2-NE2 3.29Å |
| 1132 | S | 76.7 | Confident | 85.2 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 94% | 0.944 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.2 | -173.4 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1133 | N | 79.4 | Confident | 85 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -7.2 | 173 | 62.2 | -18.3 | 0 | 0 | 0 | 113.1 | E1131 G1167 W1168 | E1131-N1133 VanDerWaalsContact C-N 3.26Å; E1131-N1133 WeakPolarHBondContact CB-OD1 3.37Å; E1131-N1133 PolarHBondContact O-N 2.75Å; E1131-N1133 PolarHBondContact OE2-OD1 2.86Å; N1133-G1167 CarbonylContact O-C 3.57Å; N1133-G1167 WeakPolarHBondContact O-CA 3.21Å; N1133-W1168 PolarHBondContact O-N 3.09Å |
| 1134 | Q | 87.3 | Confident | 85 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 136.8 | 180 | -66.2 | 174.2 | 19.5 | 0 | 0 | 109.8 | F1127 A1129 T1130 E1131 P1136 W1153 W1168 | F1127-Q1134 HydrophobicContact CE1-CB 4.17Å; F1127-Q1134 HydrophobicContact CZ-CB 4.49Å; A1129-Q1134 HydrophobicContact CB-CB 3.71Å; A1129-Q1134 WeakPolarHBondContact CB-O 3.34Å; T1130-Q1134 PolarHBondContact OG1-OE1 3.38Å; E1131-Q1134 HydrophobicContact CB-CG 4.11Å; E1131-Q1134 VanDerWaalsContact CD-NE2 3.31Å; E1131-Q1134 WeakPolarHBondContact O-CB 3.21Å; E1131-Q1134 PolarHBondContact O-N 2.88Å; E1131-Q1134 VanDerWaalsContact O-N 3.09Å; E1131-Q1134 PolarHBondContact OE2-NE2 3.29Å; Q1134-P1136 WeakPolarHBondContact O-CD 3.33Å; Q1134-W1153 HydrophobicContact CG-CZ3 4.15Å; Q1134-W1168 CarbonylContact C-O 3.58Å; Q1134-W1168 WeakPolarHBondContact CA-O 3.34Å |
| 1135 | L | 88.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -91.1 | 114.5 | 178.7 | -176.1 | 69.7 | 0 | 0 | 0 | 109.1 | F1127 L1137 V1143 L1158 R1165 W1168 F1169 | F1127-L1135 VanDerWaalsContact CD1-O 3.3Å; F1127-L1135 WeakPolarHBondContact CD1-O 3.22Å; L1135-L1137 HydrophobicContact CD2-CD2 3.95Å; L1135-L1137 HydrophobicContact CG-CD2 4.16Å; L1135-V1143 HydrophobicContact CD2-CG1 3.59Å; L1135-L1158 HydrophobicContact CD1-CB 4.29Å; L1135-L1158 HydrophobicContact CD2-CB 4.24Å; L1135-L1158 HydrophobicContact CD2-CD1 4.02Å; L1135-L1158 HydrophobicContact CG-CD1 4.38Å; L1135-R1165 HydrophobicContact CD1-CB 3.56Å; L1135-R1165 WeakPolarHBondContact CD1-O 3.11Å; L1135-W1168 PolarHBondContact N-O 2.88Å; L1135-F1169 HydrophobicContact CB-CD1 4.2Å; L1135-F1169 HydrophobicContact CD2-CD1 4.05Å; L1135-F1169 HydrophobicContact CD2-CE1 4.16Å | ||
| 1136 | P | 88.5 | Confident | 84.7 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | trans | -68 | 140 | 173.1 | 29.7 | -33.4 | 0 | 0 | 0 | 109.9 | F1127 A1129 Q1134 | F1127-P1136 CarbonylContact O-C 3.6Å; F1127-P1136 VanDerWaalsContact O-CA 3.27Å; F1127-P1136 WeakPolarHBondContact O-CA 3.33Å; A1129-P1136 HydrophobicContact CB-CB 4.14Å; A1129-P1136 HydrophobicContact CB-CG 4.36Å; Q1134-P1136 WeakPolarHBondContact O-CD 3.33Å | ||
| 1137 | L | 89.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 138.4 | 179.5 | -56.5 | 178.4 | 0 | 0 | 0 | 110 | A1123 P1126 F1127 L1135 V1143 L1158 F1169 V1174 | A1123-L1137 HydrophobicContact CB-CB 3.98Å; A1123-L1137 HydrophobicContact CB-CD1 4.12Å; P1126-L1137 CarbonylContact C-O 3.39Å; P1126-L1137 VanDerWaalsContact CA-O 3.28Å; P1126-L1137 WeakPolarHBondContact CA-O 3.49Å; F1127-L1137 HydrophobicContact CB-CB 4.13Å; F1127-L1137 HydrophobicContact CB-CD1 4.37Å; F1127-L1137 HydrophobicContact CB-CG 4.33Å; F1127-L1137 PolarHBondContact N-O 3.23Å; F1127-L1137 PolarHBondContact O-N 3.39Å; L1135-L1137 HydrophobicContact CD2-CD2 3.95Å; L1135-L1137 HydrophobicContact CG-CD2 4.16Å; L1137-V1143 HydrophobicContact CD1-CG2 4.5Å; L1137-V1143 HydrophobicContact CD2-CG1 4.2Å; L1137-V1143 HydrophobicContact CD2-CG2 3.66Å; L1137-L1158 HydrophobicContact CD2-CD1 3.6Å; L1137-F1169 HydrophobicContact CD1-CB 3.75Å; L1137-F1169 HydrophobicContact CD1-CD1 4.31Å; L1137-F1169 HydrophobicContact CD1-CD2 3.93Å; L1137-F1169 HydrophobicContact CD1-CG 3.73Å; L1137-F1169 HydrophobicContact CD2-CD1 4.46Å; L1137-F1169 HydrophobicContact CG-CB 4.27Å; L1137-F1169 HydrophobicContact CG-CG 4.43Å; L1137-V1174 HydrophobicContact CD1-CG2 3.45Å; L1137-V1174 VanDerWaalsContact CD1-CG2 3.45Å |
| 1138 | E | 86.7 | Confident | 84.2 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 58% | 0.575 | 35% | 0.352 | S | S | * | . | trans | -105.8 | 153 | 162.4 | -70.4 | -67.2 | 163.1 | 0 | 0 | 110.4 | A1123 G1140 D1141 | A1123-E1138 VanDerWaalsContact CB-O 3.31Å; A1123-E1138 WeakPolarHBondContact CB-O 3.31Å; E1138-G1140 PolarHBondContact O-N 2.84Å; E1138-D1141 PolarHBondContact N-OD2 3.15Å; E1138-D1141 VanDerWaalsContact O-CB 3.3Å; E1138-D1141 WeakPolarHBondContact O-CB 3.49Å; E1138-D1141 PolarHBondContact O-N 3.36Å | ||
| 1139 | P | 85.7 | Confident | 83.6 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 129 | 178.2 | -25.2 | 35.5 | 0 | 0 | 0 | 112.6 | A1123 P1126 | A1123-P1139 WeakPolarHBondContact O-CA 3.41Å; P1126-P1139 HydrophobicContact CB-CG 4.42Å; P1126-P1139 HydrophobicContact CG-CG 4.49Å |
| 1140 | G | 81.9 | Confident | 82.4 | Confident | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -1.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1123 E1138 I1142 N1160 | A1123-G1140 PolarHBondContact O-N 3.32Å; E1138-G1140 PolarHBondContact O-N 2.84Å; G1140-I1142 PolarHBondContact O-N 2.95Å; G1140-N1160 PolarHBondContact O-ND2 2.88Å |
| 1141 | D | 87.3 | Confident | 81.8 | Confident | 26 Ų | 26 | 62 Ų | 62 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | trans | -65.8 | 127.2 | 173.7 | -89.5 | -33.3 | 0 | 0 | 0 | 112.7 | E1122 A1123 E1138 L1158 N1160 | E1122-D1141 CarbonylContact C-O 3.6Å; E1122-D1141 WeakPolarHBondContact CA-O 3.45Å; A1123-D1141 HydrophobicContact CB-CB 3.95Å; A1123-D1141 PolarHBondContact N-O 2.93Å; E1138-D1141 PolarHBondContact N-OD2 3.15Å; E1138-D1141 VanDerWaalsContact O-CB 3.3Å; E1138-D1141 WeakPolarHBondContact O-CB 3.49Å; E1138-D1141 PolarHBondContact O-N 3.36Å; D1141-L1158 HydrophobicContact CB-CD1 3.84Å; D1141-N1160 WeakPolarHBondContact CA-ND2 3.18Å; D1141-N1160 WeakPolarHBondContact OD1-CB 3.41Å; D1141-N1160 PolarHBondContact OD1-ND2 3.48Å; D1141-N1160 VanDerWaalsContact OD1-ND2 3.15Å | ||
| 1142 | I | 88.2 | Confident | 82.1 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.8 | 173.7 | -57.5 | -57 | 0 | 0 | 0 | 108.8 | V1120 E1122 G1140 E1159 N1160 L1177 | V1120-I1142 HydrophobicContact CG1-CG2 3.54Å; E1122-I1142 HydrophobicContact CB-CD1 4.42Å; G1140-I1142 PolarHBondContact O-N 2.95Å; I1142-E1159 PolarHBondContact O-N 2.83Å; I1142-N1160 PolarHBondContact N-ND2 2.91Å; I1142-L1177 HydrophobicContact CD1-CD1 4.31Å |
| 1143 | V | 87 | Confident | 82.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.5 | -176.7 | -141.8 | 0 | 0 | 0 | 0 | 109.5 | G1121 L1135 L1137 I1145 L1158 F1169 V1174 | G1121-V1143 PolarHBondContact N-O 2.68Å; G1121-V1143 PolarHBondContact O-N 3.22Å; L1135-V1143 HydrophobicContact CD2-CG1 3.59Å; L1137-V1143 HydrophobicContact CD1-CG2 4.5Å; L1137-V1143 HydrophobicContact CD2-CG1 4.2Å; L1137-V1143 HydrophobicContact CD2-CG2 3.66Å; V1143-I1145 PolarHBondContact O-N 2.72Å; V1143-L1158 HydrophobicContact CG1-CD1 4.35Å; V1143-L1158 HydrophobicContact CG2-CD1 4.4Å; V1143-F1169 HydrophobicContact CB-CE1 4.33Å; V1143-F1169 HydrophobicContact CB-CZ 4.18Å; V1143-F1169 HydrophobicContact CG1-CD1 4.36Å; V1143-F1169 HydrophobicContact CG1-CE1 3.51Å; V1143-F1169 HydrophobicContact CG1-CZ 3.85Å; V1143-V1174 HydrophobicContact CG2-CG2 4.09Å |
| 1144 | R | 87.4 | Confident | 83.2 | Confident | 94 Ų | 94 | 54 Ų | 54 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 105.7 | 176 | 179.6 | 174.4 | 168.5 | 178.4 | -4.4 | 108.9 | C1118 R1146 G1156 E1157 | C1118-R1144 HydrophobicContact CB-CG 4.14Å; C1118-R1144 PolarHBondContact SG-NH2 3.21Å; R1144-R1146 PolarHBondContact O-N 3.47Å; R1144-G1156 CarbonylContact O-C 3.12Å; R1144-G1156 WeakPolarHBondContact O-CA 3.45Å; R1144-E1157 HydrophobicContact CB-CB 4.49Å; R1144-E1157 PolarHBondContact N-O 3.39Å; R1144-E1157 PolarHBondContact O-N 3.22Å |
| 1145 | I | 87.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.1 | -175.4 | -61.5 | 157.1 | 0 | 0 | 0 | 108.8 | E1119 V1143 K1148 W1154 F1169 V1174 L1176 | E1119-I1145 HydrophobicContact CB-CB 4.49Å; E1119-I1145 PolarHBondContact O-N 3.21Å; V1143-I1145 PolarHBondContact O-N 2.72Å; I1145-K1148 HydrophobicContact CG2-CG 3.83Å; I1145-W1154 HydrophobicContact CD1-CD2 4.39Å; I1145-W1154 HydrophobicContact CD1-CE3 3.51Å; I1145-W1154 HydrophobicContact CD1-CZ3 3.73Å; I1145-W1154 HydrophobicContact CG1-CE3 4.14Å; I1145-W1154 HydrophobicContact CG2-CB 4.39Å; I1145-F1169 HydrophobicContact CG1-CZ 4.22Å; I1145-V1174 HydrophobicContact CD1-CG1 4.47Å; I1145-L1176 HydrophobicContact CD1-CD2 3.48Å; I1145-L1176 VanDerWaalsContact CD1-CD2 3.48Å; I1145-L1176 HydrophobicContact CD1-CG 4.23Å |
| 1146 | R | 81.3 | Confident | 83.2 | Confident | 132 Ų | 132 | 54.4 Ų | 54.4 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -45 | 173.2 | -70.2 | -167.5 | 176 | -161.5 | 4.3 | 111.7 | R1144 E1155 E1157 L1166 | R1144-R1146 PolarHBondContact O-N 3.47Å; R1146-E1155 PolarHBondContact N-O 3.47Å; R1146-E1157 IonicContact CZ-OE2 2.69Å; R1146-E1157 IonicContact NE-OE2 3Å; R1146-E1157 PolarHBondContact NE-OE2 2.82Å; R1146-E1157 IonicContact NH2-OE2 3.26Å; R1146-E1157 PolarHBondContact NH2-OE2 3.31Å; R1146-L1166 HydrophobicContact CG-CD2 4.48Å |
| 1147 | T | 79.6 | Confident | 83.1 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.9 | -166.3 | -40.9 | 0 | 0 | 0 | 0 | 109.7 | W1154 E1155 W1168 | T1147-W1154 CarbonylContact O-C 3.59Å; T1147-W1154 VanDerWaalsContact O-CA 3.32Å; T1147-W1154 WeakPolarHBondContact O-CA 3.24Å; T1147-E1155 WeakPolarHBondContact CB-OE2 3.46Å; T1147-E1155 PolarHBondContact N-O 3.39Å; T1147-E1155 PolarHBondContact O-N 3.03Å; T1147-E1155 PolarHBondContact OG1-OE2 2.95Å; T1147-W1168 HydrophobicContact CG2-CH2 3.92Å |
| 1148 | K | 85.7 | Confident | 82.9 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.6 | 176.6 | -67.4 | -175.8 | 168.1 | 168.7 | 0 | 109.9 | E1119 I1145 W1154 | E1119-K1148 IonicContact OE1-NZ 2.73Å; E1119-K1148 PolarHBondContact OE1-NZ 3.28Å; E1119-K1148 WeakPolarHBondContact OE2-CE 3.31Å; E1119-K1148 IonicContact OE2-NZ 3.42Å; E1119-K1148 PolarHBondContact OE2-NZ 2.92Å; I1145-K1148 HydrophobicContact CG2-CG 3.83Å; K1148-W1154 HydrophobicContact CB-CG 4.45Å; K1148-W1154 HydrophobicContact CD-CZ2 4.32Å; K1148-W1154 HydrophobicContact CG-CD2 4.16Å; K1148-W1154 HydrophobicContact CG-CG 3.94Å |
| 1149 | S | 73.3 | Confident | 82.1 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | trans | -76.2 | 141.2 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 111 | A1151 G1152 W1153 | S1149-A1151 PolarHBondContact O-N 3.43Å; S1149-A1151 PolarHBondContact OG-N 3.13Å; S1149-G1152 PolarHBondContact O-N 3.19Å; S1149-G1152 VanDerWaalsContact O-N 3.16Å; S1149-W1153 WeakPolarHBondContact CA-O 3.44Å; S1149-W1153 WeakPolarHBondContact CB-O 3.42Å; S1149-W1153 PolarHBondContact N-O 2.63Å | ||
| 1150 | P | 59.4 | Low | 81 | Confident | 140 Ų | 140 | 53.6 Ų | 53.6 | 91% | 0.909 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.4 | 167 | -24.6 | 34.8 | 0 | 0 | 0 | 113.5 | G1152 | P1150-G1152 PolarHBondContact O-N 2.82Š|
| 1151 | A | 66.5 | Low | 79.4 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 66% | 0.661 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 15.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1149 W1153 | S1149-A1151 PolarHBondContact O-N 3.43Å; S1149-A1151 PolarHBondContact OG-N 3.13Å; A1151-W1153 VanDerWaalsContact C-N 3.31Å; A1151-W1153 PolarHBondContact O-N 2.73Å |
| 1152 | G | 78.1 | Confident | 77.7 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 75.4 | 10.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1149 P1150 A1171 | S1149-G1152 PolarHBondContact O-N 3.19Å; S1149-G1152 VanDerWaalsContact O-N 3.16Å; P1150-G1152 PolarHBondContact O-N 2.82Å; G1152-A1171 WeakPolarHBondContact O-CB 3.43Å; G1152-A1171 PolarHBondContact O-N 3.25Å |
| 1153 | W | 86.1 | Confident | 75.9 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 34% | 0.341 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135 | 169.5 | -73.2 | 76.3 | 0 | 0 | 0 | 110.5 | F1127 Q1134 S1149 A1151 W1168 F1169 P1170 | F1127-W1153 HydrophobicContact CE1-CZ3 4.08Å; F1127-W1153 HydrophobicContact CE2-CH2 4.18Å; F1127-W1153 HydrophobicContact CE2-CZ3 4.41Å; F1127-W1153 AromaticContact CZ-CH2 3.67Å; F1127-W1153 HydrophobicContact CZ-CH2 3.67Å; F1127-W1153 AromaticContact CZ-CZ3 3.6Å; F1127-W1153 HydrophobicContact CZ-CZ3 3.6Å; Q1134-W1153 HydrophobicContact CG-CZ3 4.15Å; S1149-W1153 WeakPolarHBondContact CA-O 3.44Å; S1149-W1153 WeakPolarHBondContact CB-O 3.42Å; S1149-W1153 PolarHBondContact N-O 2.63Å; A1151-W1153 VanDerWaalsContact C-N 3.31Å; A1151-W1153 PolarHBondContact O-N 2.73Å; W1153-W1168 HydrophobicContact CB-CE3 4.03Å; W1153-W1168 HydrophobicContact CE3-CB 4.04Å; W1153-F1169 WeakPolarHBondContact CA-O 3.39Å; W1153-F1169 VanDerWaalsContact CE3-C 3.44Å; W1153-P1170 HydrophobicContact CD2-CB 4.48Å; W1153-P1170 HydrophobicContact CD2-CG 4.31Å; W1153-P1170 HydrophobicContact CE3-CG 4.16Å; W1153-P1170 HydrophobicContact CH2-CG 3.9Å; W1153-P1170 HydrophobicContact CZ2-CG 4.02Å; W1153-P1170 HydrophobicContact CZ3-CG 3.96Å |
| 1154 | W | 92.3 | Very high | 74.8 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.8 | 177.4 | -64.7 | -9.1 | 0 | 0 | 0 | 109.8 | I1145 T1147 K1148 W1168 F1169 A1171 V1174 L1176 | I1145-W1154 HydrophobicContact CD1-CD2 4.39Å; I1145-W1154 HydrophobicContact CD1-CE3 3.51Å; I1145-W1154 HydrophobicContact CD1-CZ3 3.73Å; I1145-W1154 HydrophobicContact CG1-CE3 4.14Å; I1145-W1154 HydrophobicContact CG2-CB 4.39Å; T1147-W1154 CarbonylContact O-C 3.59Å; T1147-W1154 VanDerWaalsContact O-CA 3.32Å; T1147-W1154 WeakPolarHBondContact O-CA 3.24Å; K1148-W1154 HydrophobicContact CB-CG 4.45Å; K1148-W1154 HydrophobicContact CD-CZ2 4.32Å; K1148-W1154 HydrophobicContact CG-CD2 4.16Å; K1148-W1154 HydrophobicContact CG-CG 3.94Å; W1154-W1168 WeakPolarHBondContact O-CA 3.24Å; W1154-F1169 HydrophobicContact CB-CD2 4.3Å; W1154-F1169 HydrophobicContact CB-CE2 3.71Å; W1154-F1169 HydrophobicContact CB-CZ 3.98Å; W1154-F1169 HydrophobicContact CE3-CE2 4.16Å; W1154-F1169 PolarHBondContact N-O 2.98Å; W1154-F1169 WeakPolarHBondContact O-CD1 3.45Å; W1154-F1169 PolarHBondContact O-N 3.26Å; W1154-A1171 HydrophobicContact CD2-CB 3.59Å; W1154-A1171 HydrophobicContact CE3-CB 4.07Å; W1154-A1171 HydrophobicContact CG-CB 3.99Å; W1154-A1171 HydrophobicContact CH2-CB 4.06Å; W1154-A1171 HydrophobicContact CZ2-CB 3.61Å; W1154-A1171 HydrophobicContact CZ3-CB 4.28Å; W1154-V1174 HydrophobicContact CE3-CB 4.49Å; W1154-V1174 HydrophobicContact CZ3-CB 4.43Å; W1154-V1174 HydrophobicContact CZ3-CG1 4.38Å; W1154-L1176 HydrophobicContact CH2-CD1 3.51Å; W1154-L1176 HydrophobicContact CH2-CG 3.82Å; W1154-L1176 HydrophobicContact CZ2-CD1 4.23Å; W1154-L1176 HydrophobicContact CZ3-CD1 4.12Å; W1154-L1176 HydrophobicContact CZ3-CD2 4.47Å; W1154-L1176 HydrophobicContact CZ3-CG 3.9Å |
| 1155 | E | 89.5 | Confident | 74.1 | Confident | 32 Ų | 32 | 70.8 Ų | 70.8 | 15% | 0.15 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.6 | 168.7 | -170.1 | -172.8 | -150.6 | 0 | 0 | 108.5 | R1146 T1147 G1167 W1168 | R1146-E1155 PolarHBondContact N-O 3.47Å; T1147-E1155 WeakPolarHBondContact CB-OE2 3.46Å; T1147-E1155 PolarHBondContact N-O 3.39Å; T1147-E1155 PolarHBondContact O-N 3.03Å; T1147-E1155 PolarHBondContact OG1-OE2 2.95Å; E1155-G1167 WeakPolarHBondContact CA-O 3.16Å; E1155-W1168 HydrophobicContact CB-CD2 3.86Å; E1155-W1168 HydrophobicContact CB-CE3 3.94Å; E1155-W1168 HydrophobicContact CB-CG 4.5Å; E1155-W1168 HydrophobicContact CB-CH2 4Å; E1155-W1168 HydrophobicContact CB-CZ2 3.9Å; E1155-W1168 HydrophobicContact CB-CZ3 4.01Å; E1155-W1168 HydrophobicContact CG-CD2 4.42Å; E1155-W1168 HydrophobicContact CG-CZ2 4.4Å |
| 1156 | G | 86.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 172 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1144 L1166 G1167 | R1144-G1156 CarbonylContact O-C 3.12Å; R1144-G1156 WeakPolarHBondContact O-CA 3.45Å; G1156-L1166 WeakPolarHBondContact O-CA 3.43Å; G1156-G1167 PolarHBondContact N-O 3.26Å; G1156-G1167 VanDerWaalsContact N-O 3.13Å; G1156-G1167 PolarHBondContact O-N 3.37Å |
| 1157 | E | 86.7 | Confident | 74.1 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 5% | 0.051 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.6 | -179.8 | -164.8 | 175.3 | 149.9 | 0 | 0 | 108.6 | R1144 R1146 E1159 K1164 L1166 | R1144-E1157 HydrophobicContact CB-CB 4.49Å; R1144-E1157 PolarHBondContact N-O 3.39Å; R1144-E1157 PolarHBondContact O-N 3.22Å; R1146-E1157 IonicContact CZ-OE2 2.69Å; R1146-E1157 IonicContact NE-OE2 3Å; R1146-E1157 PolarHBondContact NE-OE2 2.82Å; R1146-E1157 IonicContact NH2-OE2 3.26Å; R1146-E1157 PolarHBondContact NH2-OE2 3.31Å; E1157-E1159 PolarHBondContact O-N 3.06Å; E1157-K1164 HydrophobicContact CG-CB 4.45Å; E1157-K1164 VanDerWaalsContact OE1-CD 3.3Å; E1157-K1164 WeakPolarHBondContact OE1-CD 3.4Å; E1157-K1164 WeakPolarHBondContact OE1-CG 3.49Å; E1157-K1164 IonicContact OE1-NZ 3.18Å; E1157-K1164 PolarHBondContact OE1-NZ 3.22Å; E1157-L1166 HydrophobicContact CB-CD2 3.76Å; E1157-L1166 HydrophobicContact CG-CD2 4.06Å; E1157-L1166 HydrophobicContact CG-CG 4.33Å |
| 1158 | L | 84.3 | Confident | 74.6 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 120.4 | 177.6 | -150.5 | 87.3 | 0 | 0 | 0 | 109.4 | L1135 L1137 D1141 V1143 R1165 | L1135-L1158 HydrophobicContact CD1-CB 4.29Å; L1135-L1158 HydrophobicContact CD2-CB 4.24Å; L1135-L1158 HydrophobicContact CD2-CD1 4.02Å; L1135-L1158 HydrophobicContact CG-CD1 4.38Å; L1137-L1158 HydrophobicContact CD2-CD1 3.6Å; D1141-L1158 HydrophobicContact CB-CD1 3.84Å; V1143-L1158 HydrophobicContact CG1-CD1 4.35Å; V1143-L1158 HydrophobicContact CG2-CD1 4.4Å; L1158-R1165 PolarHBondContact N-O 3.01Å; L1158-R1165 VanDerWaalsContact N-O 3.15Å |
| 1159 | E | 70.2 | Confident | 74.9 | Confident | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | trans | -95 | -15.3 | -176.6 | -156.9 | 152.5 | -127.3 | 0 | 0 | 112.6 | I1142 E1157 S1161 | I1142-E1159 PolarHBondContact O-N 2.83Å; E1157-E1159 PolarHBondContact O-N 3.06Å; E1159-S1161 PolarHBondContact O-N 3.43Å | ||
| 1160 | N | 62.2 | Low | 75.6 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -78.3 | -4.4 | -175.8 | -84.4 | 3 | 0 | 0 | 0 | 116.3 | G1140 D1141 I1142 | G1140-N1160 PolarHBondContact O-ND2 2.88Å; D1141-N1160 WeakPolarHBondContact CA-ND2 3.18Å; D1141-N1160 WeakPolarHBondContact OD1-CB 3.41Å; D1141-N1160 PolarHBondContact OD1-ND2 3.48Å; D1141-N1160 VanDerWaalsContact OD1-ND2 3.15Å; I1142-N1160 PolarHBondContact N-ND2 2.91Å |
| 1161 | S | 47.6 | Very low | 76.9 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 56% | 0.559 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -136.1 | 145.7 | -177.2 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | E1159 S1163 | E1159-S1161 PolarHBondContact O-N 3.43Å; S1161-S1163 PolarHBondContact O-N 3.19Å |
| 1162 | G | 53 | Low | 77.9 | Confident | 85 Ų | 85 | 60 Ų | 60 | 88% | 0.876 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -69.5 | 26 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1163 | S | 50.7 | Low | 78.5 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 57% | 0.573 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -148.9 | 115.1 | 173.8 | -69.7 | 0 | 0 | 0 | 0 | 108 | S1161 R1165 | S1161-S1163 PolarHBondContact O-N 3.19Å; S1163-R1165 VanDerWaalsContact C-N 3.32Å; S1163-R1165 PolarHBondContact O-N 3.1Å |
| 1164 | K | 63.3 | Low | 78.7 | Confident | 156 Ų | 156 | 58.1 Ų | 58.1 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | trans | -62.3 | 87.4 | -178.6 | -70.2 | 174.8 | 169 | -76 | 0 | 110.8 | E1157 | E1157-K1164 HydrophobicContact CG-CB 4.45Å; E1157-K1164 VanDerWaalsContact OE1-CD 3.3Å; E1157-K1164 WeakPolarHBondContact OE1-CD 3.4Å; E1157-K1164 WeakPolarHBondContact OE1-CG 3.49Å; E1157-K1164 IonicContact OE1-NZ 3.18Å; E1157-K1164 PolarHBondContact OE1-NZ 3.22Å | ||
| 1165 | R | 73.4 | Confident | 78.5 | Confident | 161 Ų | 161 | 61.2 Ų | 61.2 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | trans | -84.7 | 123.2 | 170.9 | -69.5 | -170.2 | 178.3 | -165.8 | -0.2 | 108.7 | L1135 L1158 S1163 | L1135-R1165 HydrophobicContact CD1-CB 3.56Å; L1135-R1165 WeakPolarHBondContact CD1-O 3.11Å; L1158-R1165 PolarHBondContact N-O 3.01Å; L1158-R1165 VanDerWaalsContact N-O 3.15Å; S1163-R1165 VanDerWaalsContact C-N 3.32Å; S1163-R1165 PolarHBondContact O-N 3.1Å | ||
| 1166 | L | 82.4 | Confident | 78.2 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 145.5 | 169.1 | -76.9 | 159.7 | 0 | 0 | 0 | 108.4 | R1146 G1156 E1157 | R1146-L1166 HydrophobicContact CG-CD2 4.48Å; G1156-L1166 WeakPolarHBondContact O-CA 3.43Å; E1157-L1166 HydrophobicContact CB-CD2 3.76Å; E1157-L1166 HydrophobicContact CG-CD2 4.06Å; E1157-L1166 HydrophobicContact CG-CG 4.33Å |
| 1167 | G | 85.7 | Confident | 77.9 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1133 E1155 G1156 | N1133-G1167 CarbonylContact O-C 3.57Å; N1133-G1167 WeakPolarHBondContact O-CA 3.21Å; E1155-G1167 WeakPolarHBondContact CA-O 3.16Å; G1156-G1167 PolarHBondContact N-O 3.26Å; G1156-G1167 VanDerWaalsContact N-O 3.13Å; G1156-G1167 PolarHBondContact O-N 3.37Å |
| 1168 | W | 89.9 | Confident | 76.4 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.2 | -174.9 | -63.8 | 84.2 | 0 | 0 | 0 | 112.2 | N1133 Q1134 L1135 T1147 W1153 W1154 E1155 | N1133-W1168 PolarHBondContact O-N 3.09Å; Q1134-W1168 CarbonylContact C-O 3.58Å; Q1134-W1168 WeakPolarHBondContact CA-O 3.34Å; L1135-W1168 PolarHBondContact N-O 2.88Å; T1147-W1168 HydrophobicContact CG2-CH2 3.92Å; W1153-W1168 HydrophobicContact CB-CE3 4.03Å; W1153-W1168 HydrophobicContact CE3-CB 4.04Å; W1154-W1168 WeakPolarHBondContact O-CA 3.24Å; E1155-W1168 HydrophobicContact CB-CD2 3.86Å; E1155-W1168 HydrophobicContact CB-CE3 3.94Å; E1155-W1168 HydrophobicContact CB-CG 4.5Å; E1155-W1168 HydrophobicContact CB-CH2 4Å; E1155-W1168 HydrophobicContact CB-CZ2 3.9Å; E1155-W1168 HydrophobicContact CB-CZ3 4.01Å; E1155-W1168 HydrophobicContact CG-CD2 4.42Å; E1155-W1168 HydrophobicContact CG-CZ2 4.4Å |
| 1169 | F | 92.8 | Very high | 74.9 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.3 | 172.6 | 51.5 | -92 | 0 | 0 | 0 | 109.4 | F1127 L1135 L1137 V1143 I1145 W1153 W1154 V1174 | F1127-F1169 HydrophobicContact CD1-CB 3.76Å; F1127-F1169 HydrophobicContact CE1-CB 4.1Å; L1135-F1169 HydrophobicContact CB-CD1 4.2Å; L1135-F1169 HydrophobicContact CD2-CD1 4.05Å; L1135-F1169 HydrophobicContact CD2-CE1 4.16Å; L1137-F1169 HydrophobicContact CD1-CB 3.75Å; L1137-F1169 HydrophobicContact CD1-CD1 4.31Å; L1137-F1169 HydrophobicContact CD1-CD2 3.93Å; L1137-F1169 HydrophobicContact CD1-CG 3.73Å; L1137-F1169 HydrophobicContact CD2-CD1 4.46Å; L1137-F1169 HydrophobicContact CG-CB 4.27Å; L1137-F1169 HydrophobicContact CG-CG 4.43Å; V1143-F1169 HydrophobicContact CB-CE1 4.33Å; V1143-F1169 HydrophobicContact CB-CZ 4.18Å; V1143-F1169 HydrophobicContact CG1-CD1 4.36Å; V1143-F1169 HydrophobicContact CG1-CE1 3.51Å; V1143-F1169 HydrophobicContact CG1-CZ 3.85Å; I1145-F1169 HydrophobicContact CG1-CZ 4.22Å; W1153-F1169 WeakPolarHBondContact CA-O 3.39Å; W1153-F1169 VanDerWaalsContact CE3-C 3.44Å; W1154-F1169 HydrophobicContact CB-CD2 4.3Å; W1154-F1169 HydrophobicContact CB-CE2 3.71Å; W1154-F1169 HydrophobicContact CB-CZ 3.98Å; W1154-F1169 HydrophobicContact CE3-CE2 4.16Å; W1154-F1169 PolarHBondContact N-O 2.98Å; W1154-F1169 WeakPolarHBondContact O-CD1 3.45Å; W1154-F1169 PolarHBondContact O-N 3.26Å; F1169-V1174 HydrophobicContact CD2-CB 4.24Å; F1169-V1174 HydrophobicContact CD2-CG2 3.54Å; F1169-V1174 HydrophobicContact CE2-CB 3.78Å; F1169-V1174 HydrophobicContact CE2-CG1 4.24Å; F1169-V1174 HydrophobicContact CE2-CG2 3.36Å; F1169-V1174 HydrophobicContact CG-CG2 4.46Å; F1169-V1174 HydrophobicContact CZ-CG2 4.16Å |
| 1170 | P | 88.4 | Confident | 73.8 | Confident | 16 Ų | 16 | 74 Ų | 74 | 10% | 0.104 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.4 | 176.7 | -8.8 | 24.1 | 0 | 0 | 0 | 109.9 | F1127 W1153 S1172 Y1173 | F1127-P1170 HydrophobicContact CD2-CG 4.02Å; F1127-P1170 HydrophobicContact CE2-CG 3.79Å; F1127-P1170 HydrophobicContact CZ-CG 4.22Å; W1153-P1170 HydrophobicContact CD2-CB 4.48Å; W1153-P1170 HydrophobicContact CD2-CG 4.31Å; W1153-P1170 HydrophobicContact CE3-CG 4.16Å; W1153-P1170 HydrophobicContact CH2-CG 3.9Å; W1153-P1170 HydrophobicContact CZ2-CG 4.02Å; W1153-P1170 HydrophobicContact CZ3-CG 3.96Å; P1170-S1172 PolarHBondContact O-N 3.39Å; P1170-S1172 VanDerWaalsContact O-N 3.08Å; P1170-Y1173 HydrophobicContact CB-CD2 3.82Å; P1170-Y1173 HydrophobicContact CB-CE2 4.16Å; P1170-Y1173 HydrophobicContact CG-CD2 3.8Å; P1170-Y1173 HydrophobicContact CG-CE2 3.9Å; P1170-Y1173 WeakPolarHBondContact O-CB 3.11Å; P1170-Y1173 PolarHBondContact O-N 3.26Å |
| 1171 | A | 86.3 | Confident | 73.1 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 17% | 0.165 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -54.1 | -31.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1152 W1154 Y1173 V1174 | G1152-A1171 WeakPolarHBondContact O-CB 3.43Å; G1152-A1171 PolarHBondContact O-N 3.25Å; W1154-A1171 HydrophobicContact CD2-CB 3.59Å; W1154-A1171 HydrophobicContact CE3-CB 4.07Å; W1154-A1171 HydrophobicContact CG-CB 3.99Å; W1154-A1171 HydrophobicContact CH2-CB 4.06Å; W1154-A1171 HydrophobicContact CZ2-CB 3.61Å; W1154-A1171 HydrophobicContact CZ3-CB 4.28Å; A1171-Y1173 PolarHBondContact O-N 2.82Å; A1171-Y1173 VanDerWaalsContact O-N 3.16Å; A1171-V1174 PolarHBondContact O-N 2.97Å; A1171-V1174 VanDerWaalsContact O-N 3.08Å; A1171-V1174 VanDerWaalsContact O-O 3.11Å |
| 1172 | S | 87.7 | Confident | 72.9 | Confident | 90 Ų | 90 | 74.9 Ų | 74.9 | 63% | 0.629 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -61.9 | -16.7 | 176.3 | 48.5 | 0 | 0 | 0 | 0 | 114.5 | P1170 | P1170-S1172 PolarHBondContact O-N 3.39Å; P1170-S1172 VanDerWaalsContact O-N 3.08Å |
| 1173 | Y | 90.7 | Very high | 72.1 | Confident | 79 Ų | 79 | 79.3 Ų | 79.3 | 31% | 0.31 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -92.1 | -5.6 | 176.5 | -70.3 | -107.2 | 0 | 0 | 0 | 113 | A1123 I1124 A1125 P1126 F1127 P1170 A1171 | A1123-Y1173 CarbonylContact C-O 3.52Å; A1123-Y1173 WeakPolarHBondContact CA-O 3.38Å; I1124-Y1173 WeakPolarHBondContact CG1-O 3.38Å; I1124-Y1173 PolarHBondContact N-O 2.84Å; A1125-Y1173 HydrophobicContact CB-CD1 3.6Å; A1125-Y1173 HydrophobicContact CB-CE1 4.01Å; A1125-Y1173 HydrophobicContact CB-CG 4.42Å; P1126-Y1173 WeakPolarHBondContact O-CE1 3.22Å; F1127-Y1173 HydrophobicContact CB-CD1 3.63Å; F1127-Y1173 HydrophobicContact CB-CE1 4.08Å; F1127-Y1173 HydrophobicContact CB-CG 4.01Å; F1127-Y1173 HydrophobicContact CD2-CD1 4.47Å; F1127-Y1173 HydrophobicContact CD2-CE1 4.3Å; F1127-Y1173 HydrophobicContact CD2-CE2 4.36Å; F1127-Y1173 HydrophobicContact CG-CD1 4.45Å; P1170-Y1173 HydrophobicContact CB-CD2 3.82Å; P1170-Y1173 HydrophobicContact CB-CE2 4.16Å; P1170-Y1173 HydrophobicContact CG-CD2 3.8Å; P1170-Y1173 HydrophobicContact CG-CE2 3.9Å; P1170-Y1173 WeakPolarHBondContact O-CB 3.11Å; P1170-Y1173 PolarHBondContact O-N 3.26Å; A1171-Y1173 PolarHBondContact O-N 2.82Å; A1171-Y1173 VanDerWaalsContact O-N 3.16Å |
| 1174 | V | 89 | Confident | 71.2 | Confident | 7 Ų | 7 | 84.6 Ų | 84.6 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 123.1 | -175.3 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | E1122 A1123 L1137 V1143 I1145 W1154 F1169 A1171 | E1122-V1174 CarbonylContact O-C 3.4Å; E1122-V1174 WeakPolarHBondContact O-CA 3.45Å; A1123-V1174 HydrophobicContact CB-CG2 4.42Å; L1137-V1174 HydrophobicContact CD1-CG2 3.45Å; L1137-V1174 VanDerWaalsContact CD1-CG2 3.45Å; V1143-V1174 HydrophobicContact CG2-CG2 4.09Å; I1145-V1174 HydrophobicContact CD1-CG1 4.47Å; W1154-V1174 HydrophobicContact CE3-CB 4.49Å; W1154-V1174 HydrophobicContact CZ3-CB 4.43Å; W1154-V1174 HydrophobicContact CZ3-CG1 4.38Å; F1169-V1174 HydrophobicContact CD2-CB 4.24Å; F1169-V1174 HydrophobicContact CD2-CG2 3.54Å; F1169-V1174 HydrophobicContact CE2-CB 3.78Å; F1169-V1174 HydrophobicContact CE2-CG1 4.24Å; F1169-V1174 HydrophobicContact CE2-CG2 3.36Å; F1169-V1174 HydrophobicContact CG-CG2 4.46Å; F1169-V1174 HydrophobicContact CZ-CG2 4.16Å; A1171-V1174 PolarHBondContact O-N 2.97Å; A1171-V1174 VanDerWaalsContact O-N 3.08Å; A1171-V1174 VanDerWaalsContact O-O 3.11Å |
| 1175 | K | 88.8 | Confident | 69.9 | Low | 101 Ų | 101 | 85.2 Ų | 85.2 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.8 | 175 | 167.1 | 179.1 | 151.5 | -115.5 | 0 | 110 | G1121 E1122 I1124 L1177 | G1121-K1175 CarbonylContact C-O 3.58Å; G1121-K1175 WeakPolarHBondContact CA-O 3.49Å; E1122-K1175 PolarHBondContact N-O 3.07Å; E1122-K1175 PolarHBondContact O-N 2.92Å; E1122-K1175 IonicContact OE2-NZ 3.9Å; E1122-K1175 PolarHBondContact OE2-NZ 3.32Å; I1124-K1175 HydrophobicContact CG2-CB 3.53Å; I1124-K1175 HydrophobicContact CG2-CD 4.13Å; I1124-K1175 HydrophobicContact CG2-CG 4.5Å; K1175-L1177 PolarHBondContact O-N 2.86Å |
| 1176 | L | 84 | Confident | 67.9 | Low | 63 Ų | 63 | 84.3 Ų | 84.3 | 33% | 0.33 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 122.7 | 171.5 | -79.9 | 158.8 | 0 | 0 | 0 | 111.4 | E1119 I1145 W1154 | E1119-L1176 HydrophobicContact CB-CD2 3.72Å; E1119-L1176 HydrophobicContact CG-CD2 4.34Å; E1119-L1176 WeakPolarHBondContact OE1-CD2 3.37Å; I1145-L1176 HydrophobicContact CD1-CD2 3.48Å; I1145-L1176 VanDerWaalsContact CD1-CD2 3.48Å; I1145-L1176 HydrophobicContact CD1-CG 4.23Å; W1154-L1176 HydrophobicContact CH2-CD1 3.51Å; W1154-L1176 HydrophobicContact CH2-CG 3.82Å; W1154-L1176 HydrophobicContact CZ2-CD1 4.23Å; W1154-L1176 HydrophobicContact CZ3-CD1 4.12Å; W1154-L1176 HydrophobicContact CZ3-CD2 4.47Å; W1154-L1176 HydrophobicContact CZ3-CG 3.9Å |
| 1177 | L | 79.3 | Confident | 65.4 | Low | 38 Ų | 38 | 84.3 Ų | 84.3 | 20% | 0.199 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138 | 168.4 | -58.5 | 177.3 | 0 | 0 | 0 | 108.6 | V1120 E1122 I1142 K1175 V1182 | V1120-L1177 HydrophobicContact CG1-CD1 4.27Å; V1120-L1177 WeakPolarHBondContact O-CB 3.43Å; V1120-L1177 PolarHBondContact O-N 3.24Å; E1122-L1177 HydrophobicContact CB-CD2 4.1Å; E1122-L1177 HydrophobicContact CB-CG 4.36Å; I1142-L1177 HydrophobicContact CD1-CD1 4.31Å; K1175-L1177 PolarHBondContact O-N 2.86Å; L1177-V1182 HydrophobicContact CB-CG2 4.38Å; L1177-V1182 HydrophobicContact CD1-CG2 4.27Å |
| 1178 | K | 55.8 | Low | 62.8 | Low | 122 Ų | 122 | 91.6 Ų | 91.6 | 53% | 0.53 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 152 | 176.4 | -55.2 | -170.9 | -153.4 | 83.1 | 0 | 109.9 | S1180 E1181 | K1178-S1180 PolarHBondContact O-N 3.48Å; K1178-E1181 HydrophobicContact CB-CG 4.35Å; K1178-E1181 PolarHBondContact N-OE2 3Å; K1178-E1181 IonicContact NZ-OE1 2.91Å; K1178-E1181 PolarHBondContact NZ-OE1 3.48Å; K1178-E1181 PolarHBondContact O-N 3.07Å |
| 1179 | A | 51.1 | Low | 60.2 | Low | 110 Ų | 110 | 94.4 Ų | 94.4 | 91% | 0.909 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1180 | S | 47 | Very low | 57.4 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 79% | 0.79 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -6.5 | 172.5 | -48.6 | 0 | 0 | 0 | 0 | 113.8 | K1178 | K1178-S1180 PolarHBondContact O-N 3.48Š|
| 1181 | E | 48.5 | Very low | 54.8 | Low | 103 Ų | 103 | 108 Ų | 108 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -100.6 | -4.9 | -172.9 | -69.5 | 158.8 | 179.9 | 0 | 0 | 112.4 | K1178 | K1178-E1181 HydrophobicContact CB-CG 4.35Å; K1178-E1181 PolarHBondContact N-OE2 3Å; K1178-E1181 IonicContact NZ-OE1 2.91Å; K1178-E1181 PolarHBondContact NZ-OE1 3.48Å; K1178-E1181 PolarHBondContact O-N 3.07Å |
| 1182 | V | 44.2 | Very low | 52.1 | Low | 86 Ų | 86 | 111.8 Ų | 111.8 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -118 | 40.2 | -177.7 | -161.4 | 0 | 0 | 0 | 0 | 112.3 | L1177 | L1177-V1182 HydrophobicContact CB-CG2 4.38Å; L1177-V1182 HydrophobicContact CD1-CG2 4.27Å |
| 1183 | Q | 35.8 | Very low | 49.4 | Very low | 179 Ų | 179 | 117.1 Ų | 117.1 | 84% | 0.836 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -170.8 | 67.7 | 163.6 | -117.5 | 173.9 | 58.2 | 0 | 0 | 114.6 | ||
| 1184 | Q | 32.2 | Very low | 46.7 | Very low | 193 Ų | 193 | 119.1 Ų | 119.1 | 90% | 0.902 | 68% | 0.676 | S | S | * | * | trans | -163.9 | 127.9 | 148.7 | -116.2 | 148.4 | 68.4 | 0 | 0 | 114.6 | ||||
| 1185 | H | 35.8 | Very low | 44 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 78% | 0.778 | 71% | 0.711 | S | S | * | * | trans | -97.4 | 143 | 159.7 | -154.4 | -75.1 | 0 | 0 | 0 | 107.1 | ||||
| 1186 | N | 30.2 | Very low | 41.7 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | 75 | 137.3 | 179.1 | -44.3 | -28.8 | 0 | 0 | 0 | 117.3 | ||||
| 1187 | G | 30.4 | Very low | 39.6 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 124.4 | 64.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1188 | D | 32 | Very low | 38.3 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -10.5 | 142.4 | 162 | -55.6 | -49.9 | 0 | 0 | 0 | 120.7 | ||||
| 1189 | S | 33.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 130.6 | 101.8 | 144.4 | -56.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1190 | Q | 33.5 | Very low | 40.9 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -48.5 | 175.9 | 160.8 | -76.2 | 179.2 | -26.9 | 0 | 0 | 116.1 | ||||
| 1191 | P | 34.8 | Very low | 43 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | cis | -141.4 | 165 | -32.8 | 36.3 | -19.7 | 0 | 0 | 0 | 114.8 | ||||
| 1192 | A | 29.8 | Very low | 45.1 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | -163.2 | 131.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1193 | Q | 31.8 | Very low | 47.5 | Very low | 202 Ų | 202 | 116.4 Ų | 116.4 | 94% | 0.944 | 65% | 0.654 | S | S | * | * | trans | -97.5 | 115.3 | 178.9 | -70 | 172.4 | -20.8 | 0 | 0 | 110.7 | ||||
| 1194 | S | 33.3 | Very low | 50 | Low | 121 Ų | 121 | 109.5 Ų | 109.5 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 117.8 | 165.2 | 47 | 0 | 0 | 0 | 0 | 109.6 | K1196 | S1194-K1196 PolarHBondContact O-N 3.17Š|
| 1195 | A | 32.5 | Very low | 52.6 | Low | 94 Ų | 94 | 107 Ų | 107 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 125.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1197 | A1195-Q1197 PolarHBondContact O-N 2.68Š|
| 1196 | K | 40.2 | Very low | 55.3 | Low | 193 Ų | 193 | 102.6 Ų | 102.6 | 84% | 0.839 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -63 | 128.3 | 154.2 | -83.7 | -167.7 | 170 | -166.8 | 0 | 107.5 | S1194 C1198 | S1194-K1196 PolarHBondContact O-N 3.17Å; K1196-C1198 PolarHBondContact O-N 3.33Å |
| 1197 | Q | 39.6 | Very low | 58.3 | Low | 193 Ų | 193 | 97.1 Ų | 97.1 | 90% | 0.902 | 56% | 0.56 | S | S | * | * | trans | -70.8 | 97.5 | 178.9 | -70.2 | 177.6 | -46.4 | 0 | 0 | 110.7 | A1195 C1199 | A1195-Q1197 PolarHBondContact O-N 2.68Å; Q1197-C1199 PolarHBondContact O-N 2.84Å | ||
| 1198 | C | 53.1 | Low | 61.2 | Low | 90 Ų | 90 | 98 Ų | 98 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | trans | -61.9 | 116.1 | 159 | -71.2 | 0 | 0 | 0 | 0 | 108.1 | K1196 V1200 | K1196-C1198 PolarHBondContact O-N 3.33Å; C1198-V1200 PolarHBondContact O-N 3.14Å | ||
| 1199 | C | 72.5 | Confident | 63.8 | Low | 32 Ų | 32 | 92.4 Ų | 92.4 | 22% | 0.216 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 101.5 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | Q1197 V1225 | Q1197-C1199 PolarHBondContact O-N 2.84Å; C1199-V1225 HydrophobicContact CB-CB 4.28Å; C1199-V1225 VanDerWaalsContact O-CB 3.26Å; C1199-V1225 WeakPolarHBondContact O-CB 3.46Å; C1199-V1225 WeakPolarHBondContact O-CG2 3.3Å; C1199-V1225 PolarHBondContact O-N 3.21Å |
| 1200 | V | 87.4 | Confident | 65.7 | Low | 30 Ų | 30 | 90.4 Ų | 90.4 | 18% | 0.182 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.7 | 175.9 | -157.5 | 0 | 0 | 0 | 0 | 109.1 | C1198 M1222 S1254 | C1198-V1200 PolarHBondContact O-N 3.14Å; V1200-M1222 HydrophobicContact CB-CE 4.36Å; V1200-M1222 HydrophobicContact CG1-CB 4.23Å; V1200-M1222 HydrophobicContact CG1-CE 3.64Å; V1200-M1222 HydrophobicContact CG1-SD 4.23Å; V1200-S1254 PolarHBondContact O-N 3.35Å |
| 1201 | V | 92.2 | Very high | 68 | Low | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135 | 178.5 | -57 | 0 | 0 | 0 | 0 | 110.3 | I1223 V1225 W1234 F1246 V1251 K1252 I1253 | V1201-I1223 HydrophobicContact CG2-CB 3.85Å; V1201-I1223 HydrophobicContact CG2-CG2 4.38Å; V1201-I1223 PolarHBondContact N-O 2.96Å; V1201-I1223 PolarHBondContact O-N 2.92Å; V1201-V1225 HydrophobicContact CB-CG2 4.43Å; V1201-V1225 HydrophobicContact CG1-CG2 3.7Å; V1201-V1225 HydrophobicContact CG2-CG2 3.85Å; V1201-W1234 HydrophobicContact CG1-CZ3 4.44Å; V1201-F1246 HydrophobicContact CG2-CE1 4.49Å; V1201-F1246 HydrophobicContact CG2-CE2 4.06Å; V1201-F1246 HydrophobicContact CG2-CZ 3.73Å; V1201-V1251 HydrophobicContact CB-CB 3.92Å; V1201-V1251 HydrophobicContact CB-CG1 4.48Å; V1201-V1251 HydrophobicContact CB-CG2 3.84Å; V1201-V1251 HydrophobicContact CG1-CG2 4.28Å; V1201-V1251 HydrophobicContact CG2-CB 3.88Å; V1201-V1251 HydrophobicContact CG2-CG1 3.9Å; V1201-V1251 HydrophobicContact CG2-CG2 3.84Å; V1201-K1252 CarbonylContact C-O 3.46Å; V1201-K1252 WeakPolarHBondContact CA-O 3.2Å; V1201-K1252 WeakPolarHBondContact CB-O 3.45Å; V1201-I1253 HydrophobicContact CG1-CG1 4.18Å |
| 1202 | E | 93 | Very high | 69.9 | Low | 55 Ų | 55 | 93 Ų | 93 | 26% | 0.257 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131 | 177.1 | -176 | -163.5 | 116 | 0 | 0 | 109 | C1204 D1221 M1222 V1251 K1252 | E1202-C1204 PolarHBondContact O-N 3.11Å; E1202-D1221 WeakPolarHBondContact CA-O 3.37Å; E1202-M1222 HydrophobicContact CB-SD 3.79Å; E1202-M1222 HydrophobicContact CG-SD 4.21Å; E1202-V1251 CarbonylContact O-C 3.46Å; E1202-V1251 VanDerWaalsContact O-CA 3.25Å; E1202-V1251 WeakPolarHBondContact O-CA 3.18Å; E1202-V1251 WeakPolarHBondContact O-CB 3.49Å; E1202-K1252 HydrophobicContact CB-CG 4.07Å; E1202-K1252 VanDerWaalsContact CD-CE 3.42Å; E1202-K1252 PolarHBondContact N-O 2.97Å; E1202-K1252 PolarHBondContact O-N 3.35Å; E1202-K1252 WeakPolarHBondContact OE1-CE 3.45Å; E1202-K1252 IonicContact OE1-NZ 3.67Å; E1202-K1252 PolarHBondContact OE1-NZ 3Å; E1202-K1252 WeakPolarHBondContact OE2-CE 3.5Å; E1202-K1252 IonicContact OE2-NZ 3.35Å; E1202-K1252 PolarHBondContact OE2-NZ 3.03Å |
| 1203 | A | 93.1 | Very high | 72.4 | Confident | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 114.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1205 F1217 K1218 Q1219 G1220 D1221 | A1203-Y1205 VanDerWaalsContact C-N 3.32Å; A1203-F1217 HydrophobicContact CB-CD2 3.4Å; A1203-F1217 HydrophobicContact CB-CE2 3.68Å; A1203-F1217 HydrophobicContact CB-CG 4.49Å; A1203-K1218 WeakPolarHBondContact CB-O 3.34Å; A1203-Q1219 WeakPolarHBondContact O-CA 3.24Å; A1203-G1220 PolarHBondContact O-N 3.18Å; A1203-D1221 HydrophobicContact CB-CB 4.33Å; A1203-D1221 PolarHBondContact N-O 3.07Å |
| 1204 | C | 89 | Confident | 75.3 | Confident | 34 Ų | 34 | 82.4 Ų | 82.4 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -74.1 | -22.4 | 175.1 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | E1202 Q1219 Y1250 K1252 | E1202-C1204 PolarHBondContact O-N 3.11Å; C1204-Q1219 PolarHBondContact O-NE2 3.45Å; C1204-Y1250 WeakPolarHBondContact CB-O 3.46Å; C1204-Y1250 PolarHBondContact N-O 3.25Å; C1204-K1252 PolarHBondContact SG-N 3.5Å; C1204-K1252 VanDerWaalsContact SG-N 3.43Å |
| 1205 | Y | 87.9 | Confident | 78.1 | Confident | 139 Ų | 139 | 76.8 Ų | 76.8 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -149.4 | 156.5 | -179.2 | -48.1 | -82.4 | 0 | 0 | 0 | 110.1 | A1203 F1217 Y1250 | A1203-Y1205 VanDerWaalsContact C-N 3.32Å; Y1205-F1217 WeakPolarHBondContact O-CE2 3.21Å; Y1205-Y1250 HydrophobicContact CD2-CD1 4.41Å; Y1205-Y1250 PolarHBondContact N-O 3.18Å |
| 1206 | D | 91.9 | Very high | 81 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | trans | -59.8 | 137.5 | 166.7 | -77.9 | 37.2 | 0 | 0 | 0 | 110.8 | K1218 Q1219 Y1250 | D1206-K1218 WeakPolarHBondContact OD1-CA 3.36Å; D1206-K1218 IonicContact OD2-NZ 2.7Å; D1206-K1218 PolarHBondContact OD2-NZ 3.21Å; D1206-Q1219 WeakPolarHBondContact OD1-CB 3.37Å; D1206-Q1219 PolarHBondContact OD1-N 2.92Å; D1206-Y1250 WeakPolarHBondContact O-CE1 3.49Å | ||
| 1207 | Y | 92.2 | Very high | 83.6 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 129.2 | 172.5 | -172.4 | -103.9 | 0 | 0 | 0 | 110.4 | E1214 L1215 T1216 F1217 W1233 P1247 Y1250 | Y1207-E1214 PolarHBondContact OH-OE2 2.98Å; Y1207-L1215 WeakPolarHBondContact CD1-O 3.26Å; Y1207-T1216 WeakPolarHBondContact O-CA 3.46Å; Y1207-F1217 HydrophobicContact CD1-CD1 4.43Å; Y1207-F1217 AromaticContact CD1-CE1 3.72Å; Y1207-F1217 HydrophobicContact CD1-CE1 3.72Å; Y1207-F1217 HydrophobicContact CD1-CZ 4.17Å; Y1207-F1217 AromaticContact CG-CE1 3.94Å; Y1207-F1217 HydrophobicContact CG-CE1 3.94Å; Y1207-F1217 AromaticContact CG-CZ 3.92Å; Y1207-F1217 HydrophobicContact CG-CZ 3.92Å; Y1207-F1217 PolarHBondContact N-O 2.9Å; Y1207-F1217 PolarHBondContact O-N 3.36Å; Y1207-W1233 HydrophobicContact CE1-CZ3 4.49Å; Y1207-W1233 VanDerWaalsContact OH-CH2 3.25Å; Y1207-W1233 WeakPolarHBondContact OH-CH2 3.35Å; Y1207-W1233 WeakPolarHBondContact OH-CZ3 3.48Å; Y1207-P1247 HydrophobicContact CD1-CG 4.45Å; Y1207-P1247 HydrophobicContact CD2-CG 3.81Å; Y1207-P1247 HydrophobicContact CE1-CG 4.23Å; Y1207-P1247 HydrophobicContact CE2-CG 3.59Å; Y1207-P1247 HydrophobicContact CG-CG 4.25Å; Y1207-Y1250 AromaticContact CD2-CD1 3.84Å; Y1207-Y1250 HydrophobicContact CD2-CD1 3.84Å; Y1207-Y1250 HydrophobicContact CD2-CD2 4.27Å; Y1207-Y1250 AromaticContact CD2-CE1 3.75Å; Y1207-Y1250 HydrophobicContact CD2-CE1 3.75Å; Y1207-Y1250 HydrophobicContact CD2-CE2 4.18Å; Y1207-Y1250 HydrophobicContact CD2-CG 4.11Å; Y1207-Y1250 AromaticContact CD2-CZ 3.92Å; Y1207-Y1250 HydrophobicContact CG-CD1 4.25Å |
| 1208 | S | 91 | Very high | 86 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 65% | 0.65 | 36% | 0.358 | S | S | * | . | trans | -109.1 | 127.9 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 109 | A1210 | S1208-A1210 PolarHBondContact O-N 2.87Š| ||
| 1209 | A | 87.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | trans | -57 | 126.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1214 T1216 | A1209-E1214 WeakPolarHBondContact CA-OE2 3.36Å; A1209-E1214 HydrophobicContact CB-CB 3.65Å; A1209-T1216 VanDerWaalsContact CB-OG1 3.22Å; A1209-T1216 WeakPolarHBondContact CB-OG1 3.31Å; A1209-T1216 PolarHBondContact N-OG1 2.99Å | ||
| 1210 | A | 74.3 | Confident | 88.6 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -89.1 | -19 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1208 E1214 | S1208-A1210 PolarHBondContact O-N 2.87Å; A1210-E1214 PolarHBondContact N-OE2 2.85Å |
| 1211 | Q | 81.3 | Confident | 88.8 | Confident | 143 Ų | 143 | 67.4 Ų | 67.4 | 67% | 0.668 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -138.2 | 152.1 | -178.4 | -56.7 | -172.7 | 5.6 | 0 | 0 | 111.4 | G1213 E1214 | Q1211-G1213 PolarHBondContact O-N 2.9Å; Q1211-E1214 HydrophobicContact CB-CG 4.39Å; Q1211-E1214 PolarHBondContact O-N 3.27Å; Q1211-E1214 VanDerWaalsContact O-N 3.1Å |
| 1212 | E | 74.4 | Confident | 88.8 | Confident | 211 Ų | 211 | 70.9 Ų | 70.9 | 99% | 0.986 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 122.1 | 168.7 | -78.7 | -166.3 | 125.7 | 0 | 0 | 109.9 | ||
| 1213 | G | 81.8 | Confident | 88.8 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 54% | 0.536 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.5 | -11.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1211 G1244 L1245 | Q1211-G1213 PolarHBondContact O-N 2.9Å; G1213-G1244 CarbonylContact O-C 3.56Å; G1213-G1244 WeakPolarHBondContact O-CA 3.41Å; G1213-L1245 PolarHBondContact O-N 2.94Å |
| 1214 | E | 93.4 | Very high | 88.8 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 152.4 | 166 | -67.6 | 175 | -157 | 0 | 0 | 111.8 | Y1207 A1209 A1210 Q1211 W1233 L1245 | Y1207-E1214 PolarHBondContact OH-OE2 2.98Å; A1209-E1214 WeakPolarHBondContact CA-OE2 3.36Å; A1209-E1214 HydrophobicContact CB-CB 3.65Å; A1210-E1214 PolarHBondContact N-OE2 2.85Å; Q1211-E1214 HydrophobicContact CB-CG 4.39Å; Q1211-E1214 PolarHBondContact O-N 3.27Å; Q1211-E1214 VanDerWaalsContact O-N 3.1Å; E1214-W1233 HydrophobicContact CG-CZ3 4.02Å; E1214-L1245 CarbonylContact C-O 3.53Å; E1214-L1245 VanDerWaalsContact CA-O 3.25Å; E1214-L1245 WeakPolarHBondContact CA-O 3.44Å |
| 1215 | L | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 119.5 | -179.2 | -174.2 | 63.8 | 0 | 0 | 0 | 110.6 | Y1207 F1217 I1223 L1238 Q1242 L1245 F1246 | Y1207-L1215 WeakPolarHBondContact CD1-O 3.26Å; L1215-F1217 HydrophobicContact CB-CD1 4.47Å; L1215-F1217 HydrophobicContact CD2-CD1 4.49Å; L1215-F1217 HydrophobicContact CG-CD1 4.2Å; L1215-F1217 WeakPolarHBondContact O-CD1 3.33Å; L1215-F1217 WeakPolarHBondContact O-CE1 3.44Å; L1215-I1223 HydrophobicContact CD2-CD1 4.26Å; L1215-I1223 HydrophobicContact CD2-CG1 4.28Å; L1215-I1223 HydrophobicContact CD2-CG2 3.74Å; L1215-L1238 HydrophobicContact CD1-CB 4.43Å; L1215-L1238 HydrophobicContact CD1-CD1 4.11Å; L1215-L1238 HydrophobicContact CD1-CG 4.04Å; L1215-L1238 HydrophobicContact CD2-CG 4.22Å; L1215-L1238 HydrophobicContact CG-CD1 4.45Å; L1215-L1238 HydrophobicContact CG-CG 4.27Å; L1215-Q1242 HydrophobicContact CD1-CB 3.88Å; L1215-Q1242 WeakPolarHBondContact CD1-O 3.26Å; L1215-L1245 PolarHBondContact N-O 2.83Å; L1215-F1246 HydrophobicContact CB-CB 4.43Å; L1215-F1246 HydrophobicContact CD2-CD1 4.33Å |
| 1216 | T | 93.4 | Very high | 88.8 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 131.7 | 170.5 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | Y1207 A1209 L1238 | Y1207-T1216 WeakPolarHBondContact O-CA 3.46Å; A1209-T1216 VanDerWaalsContact CB-OG1 3.22Å; A1209-T1216 WeakPolarHBondContact CB-OG1 3.31Å; A1209-T1216 PolarHBondContact N-OG1 2.99Å; T1216-L1238 WeakPolarHBondContact O-CD1 3.25Å |
| 1217 | F | 94.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 2% | 0.022 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -153.1 | 163.5 | 179.5 | 55.7 | -91 | 0 | 0 | 0 | 112 | A1203 Y1205 Y1207 L1215 D1221 I1223 L1238 F1246 V1251 | A1203-F1217 HydrophobicContact CB-CD2 3.4Å; A1203-F1217 HydrophobicContact CB-CE2 3.68Å; A1203-F1217 HydrophobicContact CB-CG 4.49Å; Y1205-F1217 WeakPolarHBondContact O-CE2 3.21Å; Y1207-F1217 HydrophobicContact CD1-CD1 4.43Å; Y1207-F1217 AromaticContact CD1-CE1 3.72Å; Y1207-F1217 HydrophobicContact CD1-CE1 3.72Å; Y1207-F1217 HydrophobicContact CD1-CZ 4.17Å; Y1207-F1217 AromaticContact CG-CE1 3.94Å; Y1207-F1217 HydrophobicContact CG-CE1 3.94Å; Y1207-F1217 AromaticContact CG-CZ 3.92Å; Y1207-F1217 HydrophobicContact CG-CZ 3.92Å; Y1207-F1217 PolarHBondContact N-O 2.9Å; Y1207-F1217 PolarHBondContact O-N 3.36Å; L1215-F1217 HydrophobicContact CB-CD1 4.47Å; L1215-F1217 HydrophobicContact CD2-CD1 4.49Å; L1215-F1217 HydrophobicContact CG-CD1 4.2Å; L1215-F1217 WeakPolarHBondContact O-CD1 3.33Å; L1215-F1217 WeakPolarHBondContact O-CE1 3.44Å; F1217-D1221 WeakPolarHBondContact CA-OD2 3.44Å; F1217-D1221 HydrophobicContact CB-CB 4.14Å; F1217-I1223 HydrophobicContact CB-CD1 4.33Å; F1217-I1223 HydrophobicContact CD1-CD1 3.73Å; F1217-I1223 HydrophobicContact CD2-CD1 4.01Å; F1217-I1223 HydrophobicContact CE1-CD1 3.97Å; F1217-I1223 HydrophobicContact CE2-CD1 4.19Å; F1217-I1223 HydrophobicContact CG-CD1 3.75Å; F1217-I1223 HydrophobicContact CZ-CD1 4.16Å; F1217-L1238 HydrophobicContact CB-CD1 4.1Å; F1217-L1238 HydrophobicContact CB-CD2 4.12Å; F1217-L1238 HydrophobicContact CB-CG 4.46Å; F1217-F1246 HydrophobicContact CD1-CB 4.41Å; F1217-F1246 HydrophobicContact CE1-CB 3.47Å; F1217-F1246 VanDerWaalsContact CE1-CB 3.47Å; F1217-F1246 HydrophobicContact CE1-CG 4.36Å; F1217-F1246 HydrophobicContact CZ-CB 4.05Å; F1217-V1251 HydrophobicContact CE2-CG1 4.49Å; F1217-V1251 HydrophobicContact CZ-CG1 4.45Å |
| 1218 | K | 90.4 | Very high | 88.3 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | trans | -109.4 | 159 | 177.1 | -69 | -167 | 156.7 | -73.4 | 0 | 112.2 | A1203 D1206 G1220 D1221 | A1203-K1218 WeakPolarHBondContact CB-O 3.34Å; D1206-K1218 WeakPolarHBondContact OD1-CA 3.36Å; D1206-K1218 IonicContact OD2-NZ 2.7Å; D1206-K1218 PolarHBondContact OD2-NZ 3.21Å; K1218-G1220 PolarHBondContact O-N 3.05Å; K1218-D1221 PolarHBondContact N-OD2 2.76Å; K1218-D1221 VanDerWaalsContact O-CB 3.29Å; K1218-D1221 WeakPolarHBondContact O-CB 3.41Å; K1218-D1221 PolarHBondContact O-N 3Å | ||
| 1219 | Q | 92 | Very high | 87.5 | Confident | 132 Ų | 132 | 72.1 Ų | 72.1 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 126.8 | 173 | -178.7 | 176.7 | 61.4 | 0 | 0 | 110.5 | A1203 C1204 D1206 | A1203-Q1219 WeakPolarHBondContact O-CA 3.24Å; C1204-Q1219 PolarHBondContact O-NE2 3.45Å; D1206-Q1219 WeakPolarHBondContact OD1-CB 3.37Å; D1206-Q1219 PolarHBondContact OD1-N 2.92Å |
| 1220 | G | 87.1 | Confident | 87 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -10 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1203 K1218 | A1203-G1220 PolarHBondContact O-N 3.18Å; K1218-G1220 PolarHBondContact O-N 3.05Å |
| 1221 | D | 91.5 | Very high | 87.1 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 31% | 0.31 | 41% | 0.41 | S | S | . | . | trans | -64.2 | 139.6 | 172.8 | -78.4 | -21.2 | 0 | 0 | 0 | 111.2 | E1202 A1203 F1217 K1218 L1238 | E1202-D1221 WeakPolarHBondContact CA-O 3.37Å; A1203-D1221 HydrophobicContact CB-CB 4.33Å; A1203-D1221 PolarHBondContact N-O 3.07Å; F1217-D1221 WeakPolarHBondContact CA-OD2 3.44Å; F1217-D1221 HydrophobicContact CB-CB 4.14Å; K1218-D1221 PolarHBondContact N-OD2 2.76Å; K1218-D1221 VanDerWaalsContact O-CB 3.29Å; K1218-D1221 WeakPolarHBondContact O-CB 3.41Å; K1218-D1221 PolarHBondContact O-N 3Å; D1221-L1238 HydrophobicContact CB-CD2 3.73Å | ||
| 1222 | M | 92.8 | Very high | 87.2 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.7 | 179.7 | -73 | -78.6 | -83.5 | 0 | 0 | 109.7 | V1200 E1202 P1239 | V1200-M1222 HydrophobicContact CB-CE 4.36Å; V1200-M1222 HydrophobicContact CG1-CB 4.23Å; V1200-M1222 HydrophobicContact CG1-CE 3.64Å; V1200-M1222 HydrophobicContact CG1-SD 4.23Å; E1202-M1222 HydrophobicContact CB-SD 3.79Å; E1202-M1222 HydrophobicContact CG-SD 4.21Å; M1222-P1239 VanDerWaalsContact O-CD 3.28Å; M1222-P1239 WeakPolarHBondContact O-CD 3.38Å; M1222-P1239 WeakPolarHBondContact O-CG 3.31Å |
| 1223 | I | 93.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.5 | -176 | -56.1 | 164.1 | 0 | 0 | 0 | 108.8 | V1201 L1215 F1217 V1225 Q1237 L1238 F1246 V1251 | V1201-I1223 HydrophobicContact CG2-CB 3.85Å; V1201-I1223 HydrophobicContact CG2-CG2 4.38Å; V1201-I1223 PolarHBondContact N-O 2.96Å; V1201-I1223 PolarHBondContact O-N 2.92Å; L1215-I1223 HydrophobicContact CD2-CD1 4.26Å; L1215-I1223 HydrophobicContact CD2-CG1 4.28Å; L1215-I1223 HydrophobicContact CD2-CG2 3.74Å; F1217-I1223 HydrophobicContact CB-CD1 4.33Å; F1217-I1223 HydrophobicContact CD1-CD1 3.73Å; F1217-I1223 HydrophobicContact CD2-CD1 4.01Å; F1217-I1223 HydrophobicContact CE1-CD1 3.97Å; F1217-I1223 HydrophobicContact CE2-CD1 4.19Å; F1217-I1223 HydrophobicContact CG-CD1 3.75Å; F1217-I1223 HydrophobicContact CZ-CD1 4.16Å; I1223-V1225 PolarHBondContact O-N 2.94Å; I1223-Q1237 CarbonylContact C-O 3.6Å; I1223-Q1237 WeakPolarHBondContact CA-O 3.17Å; I1223-L1238 HydrophobicContact CG1-CD2 3.79Å; I1223-L1238 HydrophobicContact CG1-CG 4.47Å; I1223-F1246 HydrophobicContact CD1-CG 4.42Å; I1223-F1246 HydrophobicContact CG2-CD1 4Å; I1223-F1246 HydrophobicContact CG2-CE1 3.79Å; I1223-V1251 HydrophobicContact CD1-CG1 4.09Å |
| 1224 | D | 92 | Very high | 88.4 | Confident | 71 Ų | 71 | 68.1 Ų | 68.1 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 118.6 | 168.8 | -82.2 | -40.3 | 0 | 0 | 0 | 109.5 | V1226 G1236 Q1237 | D1224-V1226 PolarHBondContact O-N 2.86Å; D1224-G1236 CarbonylContact O-C 3.55Å; D1224-G1236 WeakPolarHBondContact O-CA 3.46Å; D1224-Q1237 HydrophobicContact CB-CB 4.47Å; D1224-Q1237 PolarHBondContact N-O 2.91Å; D1224-Q1237 PolarHBondContact O-N 3.38Å |
| 1225 | V | 90.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 114.1 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | C1199 V1201 I1223 K1228 W1234 F1246 | C1199-V1225 HydrophobicContact CB-CB 4.28Å; C1199-V1225 VanDerWaalsContact O-CB 3.26Å; C1199-V1225 WeakPolarHBondContact O-CB 3.46Å; C1199-V1225 WeakPolarHBondContact O-CG2 3.3Å; C1199-V1225 PolarHBondContact O-N 3.21Å; V1201-V1225 HydrophobicContact CB-CG2 4.43Å; V1201-V1225 HydrophobicContact CG1-CG2 3.7Å; V1201-V1225 HydrophobicContact CG2-CG2 3.85Å; I1223-V1225 PolarHBondContact O-N 2.94Å; V1225-K1228 HydrophobicContact CG1-CG 3.96Å; V1225-W1234 HydrophobicContact CG1-CB 4.16Å; V1225-W1234 HydrophobicContact CG1-CE3 4.23Å; V1225-W1234 HydrophobicContact CG2-CE3 4.04Å; V1225-F1246 HydrophobicContact CG2-CE1 4.17Å; V1225-F1246 HydrophobicContact CG2-CZ 3.79Å |
| 1226 | V | 87.6 | Confident | 88.3 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -53.1 | -179.6 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | D1224 L1235 Q1237 | D1224-V1226 PolarHBondContact O-N 2.86Å; V1226-L1235 HydrophobicContact CB-CD2 4.15Å; V1226-L1235 HydrophobicContact CB-CG 4.19Å; V1226-L1235 WeakPolarHBondContact CB-O 3.38Å; V1226-L1235 HydrophobicContact CG1-CD2 4.1Å; V1226-L1235 PolarHBondContact N-O 3.44Å; V1226-Q1237 HydrophobicContact CG2-CB 3.81Å |
| 1227 | E | 85.3 | Confident | 88.3 | Confident | 128 Ų | 128 | 68.3 Ų | 68.3 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 166.1 | -180 | -71.2 | -166.2 | 145.9 | 0 | 0 | 112 | L1235 | E1227-L1235 HydrophobicContact CB-CB 4.16Å; E1227-L1235 HydrophobicContact CB-CD2 4.29Å; E1227-L1235 PolarHBondContact N-O 2.69Å; E1227-L1235 PolarHBondContact O-N 3.48Å |
| 1228 | K | 88.1 | Confident | 88.2 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | trans | -129.7 | 75.8 | -178.8 | -59.1 | -169.1 | 172.8 | -161.1 | 0 | 109.8 | V1225 D1230 W1234 | V1225-K1228 HydrophobicContact CG1-CG 3.96Å; K1228-D1230 VanDerWaalsContact C-N 3.35Å; K1228-W1234 HydrophobicContact CB-CG 4.16Å; K1228-W1234 HydrophobicContact CD-CD2 3.77Å; K1228-W1234 HydrophobicContact CD-CE3 4.27Å; K1228-W1234 HydrophobicContact CD-CG 4.19Å; K1228-W1234 HydrophobicContact CD-CH2 4.46Å; K1228-W1234 HydrophobicContact CD-CZ2 3.92Å; K1228-W1234 HydrophobicContact CG-CB 4.41Å; K1228-W1234 HydrophobicContact CG-CD2 3.84Å; K1228-W1234 HydrophobicContact CG-CG 3.71Å; K1228-W1234 VanDerWaalsContact NZ-CZ2 3.32Å | ||
| 1229 | P | 74 | Confident | 87.9 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -66.8 | -34.2 | -175.2 | 25.9 | -33.5 | 0 | 0 | 0 | 112.6 | L1245 | P1229-L1245 HydrophobicContact CG-CD2 3.79Š|
| 1230 | D | 75.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -137 | -169.6 | 169.9 | 74.7 | 68.3 | 0 | 0 | 0 | 112.7 | K1228 D1232 W1233 W1234 | K1228-D1230 VanDerWaalsContact C-N 3.35Å; D1230-D1232 WeakPolarHBondContact OD1-CA 3.37Å; D1230-D1232 PolarHBondContact OD1-N 3.2Å; D1230-W1233 PolarHBondContact OD1-N 3.33Å; D1230-W1234 PolarHBondContact O-NE1 3.28Å |
| 1231 | N | 76.9 | Confident | 87.2 | Confident | 145 Ų | 145 | 66.1 Ų | 66.1 | 78% | 0.775 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -85.7 | -28.1 | -175.6 | -67.9 | -53.8 | 0 | 0 | 0 | 113.8 | ||
| 1232 | D | 83.3 | Confident | 86.9 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 57% | 0.572 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -105.1 | -20.6 | -173.1 | -71.5 | -52.8 | 0 | 0 | 0 | 112.4 | D1230 P1247 V1248 | D1230-D1232 WeakPolarHBondContact OD1-CA 3.37Å; D1230-D1232 PolarHBondContact OD1-N 3.2Å; D1232-P1247 CarbonylContact O-C 3.59Å; D1232-P1247 VanDerWaalsContact O-CA 3.28Å; D1232-P1247 WeakPolarHBondContact O-CA 3.37Å; D1232-V1248 WeakPolarHBondContact O-CG2 3.35Å; D1232-V1248 PolarHBondContact O-N 3.18Å |
| 1233 | W | 87.5 | Confident | 86.8 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.6 | 174 | -59.1 | 84.8 | 0 | 0 | 0 | 112.4 | Y1207 E1214 D1230 L1245 F1246 P1247 | Y1207-W1233 HydrophobicContact CE1-CZ3 4.49Å; Y1207-W1233 VanDerWaalsContact OH-CH2 3.25Å; Y1207-W1233 WeakPolarHBondContact OH-CH2 3.35Å; Y1207-W1233 WeakPolarHBondContact OH-CZ3 3.48Å; E1214-W1233 HydrophobicContact CG-CZ3 4.02Å; D1230-W1233 PolarHBondContact OD1-N 3.33Å; W1233-L1245 HydrophobicContact CE3-CB 4.13Å; W1233-F1246 WeakPolarHBondContact CA-O 3.1Å; W1233-P1247 HydrophobicContact CD2-CB 4.38Å; W1233-P1247 HydrophobicContact CE3-CB 4.17Å; W1233-P1247 HydrophobicContact CH2-CB 4.49Å; W1233-P1247 HydrophobicContact CZ3-CB 4.24Å; W1233-P1247 HydrophobicContact CZ3-CG 4.27Å |
| 1234 | W | 94.2 | Very high | 86.7 | Confident | 36 Ų | 36 | 71.9 Ų | 71.9 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 147.1 | 174.4 | -66.5 | -10.6 | 0 | 0 | 0 | 110.7 | V1201 V1225 K1228 D1230 G1236 L1245 F1246 V1248 | V1201-W1234 HydrophobicContact CG1-CZ3 4.44Å; V1225-W1234 HydrophobicContact CG1-CB 4.16Å; V1225-W1234 HydrophobicContact CG1-CE3 4.23Å; V1225-W1234 HydrophobicContact CG2-CE3 4.04Å; K1228-W1234 HydrophobicContact CB-CG 4.16Å; K1228-W1234 HydrophobicContact CD-CD2 3.77Å; K1228-W1234 HydrophobicContact CD-CE3 4.27Å; K1228-W1234 HydrophobicContact CD-CG 4.19Å; K1228-W1234 HydrophobicContact CD-CH2 4.46Å; K1228-W1234 HydrophobicContact CD-CZ2 3.92Å; K1228-W1234 HydrophobicContact CG-CB 4.41Å; K1228-W1234 HydrophobicContact CG-CD2 3.84Å; K1228-W1234 HydrophobicContact CG-CG 3.71Å; K1228-W1234 VanDerWaalsContact NZ-CZ2 3.32Å; D1230-W1234 PolarHBondContact O-NE1 3.28Å; W1234-G1236 PolarHBondContact O-N 3.21Å; W1234-L1245 CarbonylContact O-C 3.47Å; W1234-L1245 WeakPolarHBondContact O-CA 3.25Å; W1234-F1246 HydrophobicContact CB-CE1 3.88Å; W1234-F1246 HydrophobicContact CB-CE2 4.22Å; W1234-F1246 HydrophobicContact CB-CZ 3.64Å; W1234-F1246 HydrophobicContact CE3-CE2 4.49Å; W1234-F1246 HydrophobicContact CE3-CZ 4.14Å; W1234-F1246 PolarHBondContact N-O 2.93Å; W1234-F1246 WeakPolarHBondContact O-CD1 3Å; W1234-F1246 WeakPolarHBondContact O-CE1 3.28Å; W1234-F1246 PolarHBondContact O-N 2.94Å; W1234-V1248 HydrophobicContact CB-CG2 4.12Å; W1234-V1248 HydrophobicContact CD2-CG1 4.28Å; W1234-V1248 HydrophobicContact CD2-CG2 3.43Å; W1234-V1248 VanDerWaalsContact CD2-CG2 3.43Å; W1234-V1248 VanDerWaalsContact CE2-CG2 3.47Å; W1234-V1248 HydrophobicContact CE3-CG1 4.29Å; W1234-V1248 HydrophobicContact CE3-CG2 4.05Å; W1234-V1248 HydrophobicContact CG-CG2 3.46Å; W1234-V1248 VanDerWaalsContact CG-CG2 3.46Å; W1234-V1248 HydrophobicContact CH2-CG1 3.75Å; W1234-V1248 HydrophobicContact CZ2-CG1 3.77Å; W1234-V1248 HydrophobicContact CZ2-CG2 4.1Å; W1234-V1248 HydrophobicContact CZ3-CG1 4.04Å |
| 1235 | L | 92.5 | Very high | 86.8 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.2 | 174.9 | -177.1 | 70 | 0 | 0 | 0 | 108.6 | V1226 E1227 L1245 | V1226-L1235 HydrophobicContact CB-CD2 4.15Å; V1226-L1235 HydrophobicContact CB-CG 4.19Å; V1226-L1235 WeakPolarHBondContact CB-O 3.38Å; V1226-L1235 HydrophobicContact CG1-CD2 4.1Å; V1226-L1235 PolarHBondContact N-O 3.44Å; E1227-L1235 HydrophobicContact CB-CB 4.16Å; E1227-L1235 HydrophobicContact CB-CD2 4.29Å; E1227-L1235 PolarHBondContact N-O 2.69Å; E1227-L1235 PolarHBondContact O-N 3.48Å; L1235-L1245 HydrophobicContact CB-CD2 4.23Å; L1235-L1245 HydrophobicContact CD1-CD2 4.4Å |
| 1236 | G | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 162.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1224 W1234 R1243 G1244 | D1224-G1236 CarbonylContact O-C 3.55Å; D1224-G1236 WeakPolarHBondContact O-CA 3.46Å; W1234-G1236 PolarHBondContact O-N 3.21Å; G1236-R1243 VanDerWaalsContact O-CA 3.28Å; G1236-R1243 WeakPolarHBondContact O-CA 3.23Å; G1236-G1244 PolarHBondContact N-O 2.75Å; G1236-G1244 PolarHBondContact O-N 2.64Å; G1236-G1244 VanDerWaalsContact O-N 3.13Å |
| 1237 | Q | 92.9 | Very high | 87.1 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.6 | 166 | -177.2 | 169.4 | -19.6 | 0 | 0 | 109.7 | I1223 D1224 V1226 Q1242 R1243 | I1223-Q1237 CarbonylContact C-O 3.6Å; I1223-Q1237 WeakPolarHBondContact CA-O 3.17Å; D1224-Q1237 HydrophobicContact CB-CB 4.47Å; D1224-Q1237 PolarHBondContact N-O 2.91Å; D1224-Q1237 PolarHBondContact O-N 3.38Å; V1226-Q1237 HydrophobicContact CG2-CB 3.81Å; Q1237-Q1242 CarbonylContact C-O 3.57Å; Q1237-Q1242 VanDerWaalsContact CA-O 3.31Å; Q1237-Q1242 WeakPolarHBondContact CA-O 3.2Å; Q1237-R1243 HydrophobicContact CB-CG 3.84Å; Q1237-R1243 HydrophobicContact CG-CG 3.9Å; Q1237-R1243 VanDerWaalsContact OE1-CZ 3.26Å |
| 1238 | L | 91.7 | Very high | 87.4 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | trans | -80.9 | 161.3 | 170.6 | -87 | 178.9 | 0 | 0 | 0 | 111.6 | L1215 T1216 F1217 D1221 I1223 N1240 G1241 Q1242 | L1215-L1238 HydrophobicContact CD1-CB 4.43Å; L1215-L1238 HydrophobicContact CD1-CD1 4.11Å; L1215-L1238 HydrophobicContact CD1-CG 4.04Å; L1215-L1238 HydrophobicContact CD2-CG 4.22Å; L1215-L1238 HydrophobicContact CG-CD1 4.45Å; L1215-L1238 HydrophobicContact CG-CG 4.27Å; T1216-L1238 WeakPolarHBondContact O-CD1 3.25Å; F1217-L1238 HydrophobicContact CB-CD1 4.1Å; F1217-L1238 HydrophobicContact CB-CD2 4.12Å; F1217-L1238 HydrophobicContact CB-CG 4.46Å; D1221-L1238 HydrophobicContact CB-CD2 3.73Å; I1223-L1238 HydrophobicContact CG1-CD2 3.79Å; I1223-L1238 HydrophobicContact CG1-CG 4.47Å; L1238-N1240 WeakPolarHBondContact CB-OD1 3.28Å; L1238-N1240 PolarHBondContact O-N 2.82Å; L1238-N1240 VanDerWaalsContact O-N 3.11Å; L1238-G1241 PolarHBondContact O-N 2.85Å; L1238-Q1242 PolarHBondContact N-O 2.91Å | ||
| 1239 | P | 83.7 | Confident | 87.5 | Confident | 111 Ų | 111 | 64.8 Ų | 64.8 | 72% | 0.721 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.1 | 177.3 | -19.9 | 34.3 | 0 | 0 | 0 | 113.4 | M1222 G1241 | M1222-P1239 VanDerWaalsContact O-CD 3.28Å; M1222-P1239 WeakPolarHBondContact O-CD 3.38Å; M1222-P1239 WeakPolarHBondContact O-CG 3.31Å; P1239-G1241 PolarHBondContact O-N 2.83Å |
| 1240 | N | 82.8 | Confident | 88.3 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -3.5 | 172.6 | 71.3 | 3.2 | 0 | 0 | 0 | 113.6 | L1238 Q1242 | L1238-N1240 WeakPolarHBondContact CB-OD1 3.28Å; L1238-N1240 PolarHBondContact O-N 2.82Å; L1238-N1240 VanDerWaalsContact O-N 3.11Å; N1240-Q1242 PolarHBondContact ND2-OE1 3.3Å; N1240-Q1242 VanDerWaalsContact OD1-CB 3.3Å; N1240-Q1242 WeakPolarHBondContact OD1-CB 3.39Å; N1240-Q1242 PolarHBondContact OD1-N 2.83Å |
| 1241 | G | 82.1 | Confident | 89 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 89.8 | -8.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1238 P1239 | L1238-G1241 PolarHBondContact O-N 2.85Å; P1239-G1241 PolarHBondContact O-N 2.83Å |
| 1242 | Q | 85.5 | Confident | 89.6 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | trans | -63.9 | 137.2 | 174.5 | -70 | -179.7 | -47.3 | 0 | 0 | 110.5 | L1215 Q1237 L1238 N1240 | L1215-Q1242 HydrophobicContact CD1-CB 3.88Å; L1215-Q1242 WeakPolarHBondContact CD1-O 3.26Å; Q1237-Q1242 CarbonylContact C-O 3.57Å; Q1237-Q1242 VanDerWaalsContact CA-O 3.31Å; Q1237-Q1242 WeakPolarHBondContact CA-O 3.2Å; L1238-Q1242 PolarHBondContact N-O 2.91Å; N1240-Q1242 PolarHBondContact ND2-OE1 3.3Å; N1240-Q1242 VanDerWaalsContact OD1-CB 3.3Å; N1240-Q1242 WeakPolarHBondContact OD1-CB 3.39Å; N1240-Q1242 PolarHBondContact OD1-N 2.83Å | ||
| 1243 | R | 91.2 | Very high | 89.6 | Confident | 144 Ų | 144 | 59.1 Ų | 59.1 | 54% | 0.543 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.2 | 173.5 | -79.2 | -174.7 | 171.2 | -156.7 | -7 | 110.5 | G1236 Q1237 | G1236-R1243 VanDerWaalsContact O-CA 3.28Å; G1236-R1243 WeakPolarHBondContact O-CA 3.23Å; Q1237-R1243 HydrophobicContact CB-CG 3.84Å; Q1237-R1243 HydrophobicContact CG-CG 3.9Å; Q1237-R1243 VanDerWaalsContact OE1-CZ 3.26Å |
| 1244 | G | 91.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | 169.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1213 G1236 | G1213-G1244 CarbonylContact O-C 3.56Å; G1213-G1244 WeakPolarHBondContact O-CA 3.41Å; G1236-G1244 PolarHBondContact N-O 2.75Å; G1236-G1244 PolarHBondContact O-N 2.64Å; G1236-G1244 VanDerWaalsContact O-N 3.13Å |
| 1245 | L | 92.7 | Very high | 86.8 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 134.8 | 171.8 | -65.3 | 171.9 | 0 | 0 | 0 | 109.8 | G1213 E1214 L1215 P1229 W1233 W1234 L1235 | G1213-L1245 PolarHBondContact O-N 2.94Å; E1214-L1245 CarbonylContact C-O 3.53Å; E1214-L1245 VanDerWaalsContact CA-O 3.25Å; E1214-L1245 WeakPolarHBondContact CA-O 3.44Å; L1215-L1245 PolarHBondContact N-O 2.83Å; P1229-L1245 HydrophobicContact CG-CD2 3.79Å; W1233-L1245 HydrophobicContact CE3-CB 4.13Å; W1234-L1245 CarbonylContact O-C 3.47Å; W1234-L1245 WeakPolarHBondContact O-CA 3.25Å; L1235-L1245 HydrophobicContact CB-CD2 4.23Å; L1235-L1245 HydrophobicContact CD1-CD2 4.4Å |
| 1246 | F | 94.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.2 | 170.4 | 68.4 | -90.9 | 0 | 0 | 0 | 110.5 | V1201 L1215 F1217 I1223 V1225 W1233 W1234 V1248 V1251 | V1201-F1246 HydrophobicContact CG2-CE1 4.49Å; V1201-F1246 HydrophobicContact CG2-CE2 4.06Å; V1201-F1246 HydrophobicContact CG2-CZ 3.73Å; L1215-F1246 HydrophobicContact CB-CB 4.43Å; L1215-F1246 HydrophobicContact CD2-CD1 4.33Å; F1217-F1246 HydrophobicContact CD1-CB 4.41Å; F1217-F1246 HydrophobicContact CE1-CB 3.47Å; F1217-F1246 VanDerWaalsContact CE1-CB 3.47Å; F1217-F1246 HydrophobicContact CE1-CG 4.36Å; F1217-F1246 HydrophobicContact CZ-CB 4.05Å; I1223-F1246 HydrophobicContact CD1-CG 4.42Å; I1223-F1246 HydrophobicContact CG2-CD1 4Å; I1223-F1246 HydrophobicContact CG2-CE1 3.79Å; V1225-F1246 HydrophobicContact CG2-CE1 4.17Å; V1225-F1246 HydrophobicContact CG2-CZ 3.79Å; W1233-F1246 WeakPolarHBondContact CA-O 3.1Å; W1234-F1246 HydrophobicContact CB-CE1 3.88Å; W1234-F1246 HydrophobicContact CB-CE2 4.22Å; W1234-F1246 HydrophobicContact CB-CZ 3.64Å; W1234-F1246 HydrophobicContact CE3-CE2 4.49Å; W1234-F1246 HydrophobicContact CE3-CZ 4.14Å; W1234-F1246 PolarHBondContact N-O 2.93Å; W1234-F1246 WeakPolarHBondContact O-CD1 3Å; W1234-F1246 WeakPolarHBondContact O-CE1 3.28Å; W1234-F1246 PolarHBondContact O-N 2.94Å; F1246-V1248 PolarHBondContact O-N 3.08Å; F1246-V1251 HydrophobicContact CD2-CG1 3.72Å; F1246-V1251 HydrophobicContact CD2-CG2 4.34Å; F1246-V1251 HydrophobicContact CE2-CB 4.32Å; F1246-V1251 HydrophobicContact CE2-CG1 3.69Å; F1246-V1251 HydrophobicContact CE2-CG2 3.62Å; F1246-V1251 HydrophobicContact CZ-CG2 4.49Å |
| 1247 | P | 90.7 | Very high | 82.5 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 7% | 0.065 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.2 | 178.4 | 29.7 | -33.9 | 0 | 0 | 0 | 111 | Y1207 D1232 W1233 N1249 Y1250 | Y1207-P1247 HydrophobicContact CD1-CG 4.45Å; Y1207-P1247 HydrophobicContact CD2-CG 3.81Å; Y1207-P1247 HydrophobicContact CE1-CG 4.23Å; Y1207-P1247 HydrophobicContact CE2-CG 3.59Å; Y1207-P1247 HydrophobicContact CG-CG 4.25Å; D1232-P1247 CarbonylContact O-C 3.59Å; D1232-P1247 VanDerWaalsContact O-CA 3.28Å; D1232-P1247 WeakPolarHBondContact O-CA 3.37Å; W1233-P1247 HydrophobicContact CD2-CB 4.38Å; W1233-P1247 HydrophobicContact CE3-CB 4.17Å; W1233-P1247 HydrophobicContact CH2-CB 4.49Å; W1233-P1247 HydrophobicContact CZ3-CB 4.24Å; W1233-P1247 HydrophobicContact CZ3-CG 4.27Å; P1247-N1249 PolarHBondContact O-N 3.5Å; P1247-N1249 VanDerWaalsContact O-N 3.13Å; P1247-Y1250 HydrophobicContact CB-CD2 4.13Å; P1247-Y1250 HydrophobicContact CG-CD2 3.51Å; P1247-Y1250 HydrophobicContact CG-CE2 4.11Å; P1247-Y1250 HydrophobicContact CG-CG 4.02Å; P1247-Y1250 WeakPolarHBondContact O-CB 3.16Å; P1247-Y1250 PolarHBondContact O-N 3.1Å |
| 1248 | V | 91.3 | Very high | 79.8 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -62.7 | -25.7 | -170.3 | 178.3 | 0 | 0 | 0 | 0 | 112.8 | D1232 W1234 F1246 Y1250 V1251 | D1232-V1248 WeakPolarHBondContact O-CG2 3.35Å; D1232-V1248 PolarHBondContact O-N 3.18Å; W1234-V1248 HydrophobicContact CB-CG2 4.12Å; W1234-V1248 HydrophobicContact CD2-CG1 4.28Å; W1234-V1248 HydrophobicContact CD2-CG2 3.43Å; W1234-V1248 VanDerWaalsContact CD2-CG2 3.43Å; W1234-V1248 VanDerWaalsContact CE2-CG2 3.47Å; W1234-V1248 HydrophobicContact CE3-CG1 4.29Å; W1234-V1248 HydrophobicContact CE3-CG2 4.05Å; W1234-V1248 HydrophobicContact CG-CG2 3.46Å; W1234-V1248 VanDerWaalsContact CG-CG2 3.46Å; W1234-V1248 HydrophobicContact CH2-CG1 3.75Å; W1234-V1248 HydrophobicContact CZ2-CG1 3.77Å; W1234-V1248 HydrophobicContact CZ2-CG2 4.1Å; W1234-V1248 HydrophobicContact CZ3-CG1 4.04Å; F1246-V1248 PolarHBondContact O-N 3.08Å; V1248-Y1250 VanDerWaalsContact C-N 3.26Å; V1248-Y1250 PolarHBondContact O-N 3.22Å; V1248-V1251 WeakPolarHBondContact O-CG2 3.16Å; V1248-V1251 PolarHBondContact O-N 3.42Å |
| 1249 | N | 89.4 | Confident | 76.9 | Confident | 113 Ų | 113 | 81.9 Ų | 81.9 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -77.1 | -4.9 | 176 | 57.3 | 13.3 | 0 | 0 | 0 | 114.4 | P1247 | P1247-N1249 PolarHBondContact O-N 3.5Å; P1247-N1249 VanDerWaalsContact O-N 3.13Å |
| 1250 | Y | 90.9 | Very high | 74.4 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 31% | 0.314 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -90 | -3.1 | 171 | -82.7 | -110.7 | 0 | 0 | 0 | 113.8 | C1204 Y1205 D1206 Y1207 P1247 V1248 | C1204-Y1250 WeakPolarHBondContact CB-O 3.46Å; C1204-Y1250 PolarHBondContact N-O 3.25Å; Y1205-Y1250 HydrophobicContact CD2-CD1 4.41Å; Y1205-Y1250 PolarHBondContact N-O 3.18Å; D1206-Y1250 WeakPolarHBondContact O-CE1 3.49Å; Y1207-Y1250 AromaticContact CD2-CD1 3.84Å; Y1207-Y1250 HydrophobicContact CD2-CD1 3.84Å; Y1207-Y1250 HydrophobicContact CD2-CD2 4.27Å; Y1207-Y1250 AromaticContact CD2-CE1 3.75Å; Y1207-Y1250 HydrophobicContact CD2-CE1 3.75Å; Y1207-Y1250 HydrophobicContact CD2-CE2 4.18Å; Y1207-Y1250 HydrophobicContact CD2-CG 4.11Å; Y1207-Y1250 AromaticContact CD2-CZ 3.92Å; Y1207-Y1250 HydrophobicContact CG-CD1 4.25Å; P1247-Y1250 HydrophobicContact CB-CD2 4.13Å; P1247-Y1250 HydrophobicContact CG-CD2 3.51Å; P1247-Y1250 HydrophobicContact CG-CE2 4.11Å; P1247-Y1250 HydrophobicContact CG-CG 4.02Å; P1247-Y1250 WeakPolarHBondContact O-CB 3.16Å; P1247-Y1250 PolarHBondContact O-N 3.1Å; V1248-Y1250 VanDerWaalsContact C-N 3.26Å; V1248-Y1250 PolarHBondContact O-N 3.22Å |
| 1251 | V | 92.5 | Very high | 72.1 | Confident | 19 Ų | 19 | 86.2 Ų | 86.2 | 12% | 0.115 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 165.5 | -175.8 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | V1201 E1202 F1217 I1223 F1246 V1248 | V1201-V1251 HydrophobicContact CB-CB 3.92Å; V1201-V1251 HydrophobicContact CB-CG1 4.48Å; V1201-V1251 HydrophobicContact CB-CG2 3.84Å; V1201-V1251 HydrophobicContact CG1-CG2 4.28Å; V1201-V1251 HydrophobicContact CG2-CB 3.88Å; V1201-V1251 HydrophobicContact CG2-CG1 3.9Å; V1201-V1251 HydrophobicContact CG2-CG2 3.84Å; E1202-V1251 CarbonylContact O-C 3.46Å; E1202-V1251 VanDerWaalsContact O-CA 3.25Å; E1202-V1251 WeakPolarHBondContact O-CA 3.18Å; E1202-V1251 WeakPolarHBondContact O-CB 3.49Å; F1217-V1251 HydrophobicContact CE2-CG1 4.49Å; F1217-V1251 HydrophobicContact CZ-CG1 4.45Å; I1223-V1251 HydrophobicContact CD1-CG1 4.09Å; F1246-V1251 HydrophobicContact CD2-CG1 3.72Å; F1246-V1251 HydrophobicContact CD2-CG2 4.34Å; F1246-V1251 HydrophobicContact CE2-CB 4.32Å; F1246-V1251 HydrophobicContact CE2-CG1 3.69Å; F1246-V1251 HydrophobicContact CE2-CG2 3.62Å; F1246-V1251 HydrophobicContact CZ-CG2 4.49Å; V1248-V1251 WeakPolarHBondContact O-CG2 3.16Å; V1248-V1251 PolarHBondContact O-N 3.42Å |
| 1252 | K | 88.2 | Confident | 69.8 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.9 | 160.2 | 73.1 | -174.5 | -157.1 | -141.2 | 0 | 109.2 | V1201 E1202 C1204 S1254 | V1201-K1252 CarbonylContact C-O 3.46Å; V1201-K1252 WeakPolarHBondContact CA-O 3.2Å; V1201-K1252 WeakPolarHBondContact CB-O 3.45Å; E1202-K1252 HydrophobicContact CB-CG 4.07Å; E1202-K1252 VanDerWaalsContact CD-CE 3.42Å; E1202-K1252 PolarHBondContact N-O 2.97Å; E1202-K1252 PolarHBondContact O-N 3.35Å; E1202-K1252 WeakPolarHBondContact OE1-CE 3.45Å; E1202-K1252 IonicContact OE1-NZ 3.67Å; E1202-K1252 PolarHBondContact OE1-NZ 3Å; E1202-K1252 WeakPolarHBondContact OE2-CE 3.5Å; E1202-K1252 IonicContact OE2-NZ 3.35Å; E1202-K1252 PolarHBondContact OE2-NZ 3.03Å; C1204-K1252 PolarHBondContact SG-N 3.5Å; C1204-K1252 VanDerWaalsContact SG-N 3.43Å; K1252-S1254 PolarHBondContact O-N 3.12Å |
| 1253 | I | 83.4 | Confident | 67.2 | Low | 105 Ų | 105 | 90.3 Ų | 90.3 | 54% | 0.538 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.7 | 167.9 | -58.4 | 171.5 | 0 | 0 | 0 | 108 | V1201 | V1201-I1253 HydrophobicContact CG1-CG1 4.18Å |
| 1254 | S | 67.2 | Low | 64.5 | Low | 10 Ų | 10 | 87.6 Ų | 87.6 | 7% | 0.07 | 48% | 0.479 | C | S | . | . | trans | -74.4 | 136.4 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 111 | V1200 K1252 | V1200-S1254 PolarHBondContact O-N 3.35Å; K1252-S1254 PolarHBondContact O-N 3.12Å | ||
| 1255 | E | 55.5 | Low | 61.7 | Low | 150 Ų | 150 | 95.1 Ų | 95.1 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -82.7 | -14.1 | -173.8 | -60.8 | -163.2 | 137.1 | 0 | 0 | 113.4 | A1257 | E1255-A1257 VanDerWaalsContact C-N 3.3Å; E1255-A1257 PolarHBondContact O-N 3.05Å |
| 1256 | D | 51.1 | Low | 59 | Low | 128 Ų | 128 | 98.1 Ų | 98.1 | 68% | 0.684 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -75.8 | -10 | -176.9 | -84 | -56.1 | 0 | 0 | 0 | 114.8 | I1258 | D1256-I1258 PolarHBondContact O-N 3.1Š|
| 1257 | A | 44.5 | Very low | 56 | Low | 67 Ų | 67 | 109.5 Ų | 109.5 | 55% | 0.554 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -71.7 | 11.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1255 | E1255-A1257 VanDerWaalsContact C-N 3.3Å; E1255-A1257 PolarHBondContact O-N 3.05Å |
| 1258 | I | 35.4 | Very low | 53.1 | Low | 123 Ų | 123 | 114.1 Ų | 114.1 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | trans | -136.9 | 85.7 | 178.9 | -48.4 | 179.7 | 0 | 0 | 0 | 111.4 | D1256 | D1256-I1258 PolarHBondContact O-N 3.1Š| ||
| 1259 | R | 30.4 | Very low | 50.5 | Low | 222 Ų | 222 | 117.9 Ų | 117.9 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | trans | -112.8 | 127.2 | 158.8 | -71.6 | -170.1 | -180 | -166 | 2.1 | 110 | ||||
| 1260 | P | 32.1 | Very low | 47.8 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | trans | -97.7 | 141.3 | -177.2 | 35.6 | -32.5 | 0 | 0 | 0 | 113.1 | ||||
| 1261 | E | 33.4 | Very low | 45.1 | Very low | 184 Ų | 184 | 119.6 Ų | 119.6 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | trans | -133.9 | 147.7 | 166.6 | -66.2 | -165.2 | 165.2 | 0 | 0 | 111.2 | ||||
| 1262 | S | 35.3 | Very low | 42.3 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | 48.5 | 95.3 | 156.8 | -54.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1263 | S | 31 | Very low | 39.7 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | cis | 69.9 | 77.2 | 45.5 | -51.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1264 | A | 34.4 | Very low | 37.2 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -167.5 | 148.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1265 | L | 32.5 | Very low | 35.4 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | 46 | 108.7 | 155 | -58.1 | 158.4 | 0 | 0 | 0 | 118.2 | ||||
| 1266 | V | 34.7 | Very low | 34.4 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | 75.7 | 127.8 | 17.7 | -159.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1267 | R | 31.2 | Very low | 33.4 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | 89 | 139.5 | 176.8 | -57.2 | -176.5 | -173.2 | 178.1 | 2.5 | 115.2 | ||||
| 1268 | S | 31.9 | Very low | 32.8 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | cis | -162.9 | 178.7 | -11.7 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1269 | S | 35.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 96.5 | 119.7 | 176.6 | -56.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1270 | S | 33.8 | Very low | 32.7 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | 85.6 | 133.7 | 29.6 | -64.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1271 | D | 33.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | cis | -158 | -169.2 | -3.1 | -88.4 | -27.3 | 0 | 0 | 0 | 109.3 | ||||
| 1272 | L | 34.1 | Very low | 32.8 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 81.5 | 130.5 | 161.5 | -56.1 | 168 | 0 | 0 | 0 | 116.4 | ||||
| 1273 | L | 33.8 | Very low | 32.4 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | cis | -141.6 | 133 | 1.5 | -84.8 | 128.6 | 0 | 0 | 0 | 108.7 | ||||
| 1274 | Y | 30 | Very low | 32.6 | Very low | 203 Ų | 203 | 142 Ų | 142 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 68.8 | 130.3 | 81.6 | -160.4 | -89.1 | 0 | 0 | 0 | 114.1 | |||||
| 1275 | S | 30.1 | Very low | 32.3 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 56% | 0.559 | 77% | 0.771 | S | S | * | * | cis | -170.3 | 156.9 | -11.4 | -169.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1276 | Q | 33.8 | Very low | 32.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | -161.6 | 152.4 | 51.7 | -64.1 | 169.3 | 31.8 | 0 | 0 | 111.5 | |||||
| 1277 | Q | 30.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -115.1 | 161.7 | 160.8 | -70.2 | -172.6 | -34.1 | 0 | 0 | 109.7 | ||||
| 1278 | P | 33.3 | Very low | 32 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | -148.8 | 171.4 | 100.1 | 36.2 | -19 | 0 | 0 | 0 | 113.8 | |||||
| 1279 | S | 30.6 | Very low | 32.5 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | -178.1 | 138.8 | -24.6 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1280 | F | 32 | Very low | 33.7 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | trans | -168.8 | 123.3 | 134.2 | -130.1 | -115.9 | 0 | 0 | 0 | 116.4 | ||||
| 1281 | S | 33.2 | Very low | 34.9 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 44.9 | 125.5 | 147.7 | 73.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 1282 | R | 34.3 | Very low | 37 | Very low | 244 Ų | 244 | 133.2 Ų | 133.2 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | 71.4 | 118 | 136.9 | -79.7 | -178.4 | -178.1 | 157.2 | 4.4 | 121 | ||||
| 1283 | V | 28 | Very low | 39.2 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | trans | -116.8 | 136.3 | 161.9 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1284 | P | 34.6 | Very low | 41.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -102.7 | 122.9 | 160.3 | 3.5 | 17.6 | 0 | 0 | 0 | 110.8 | S1286 | P1284-S1286 PolarHBondContact O-N 2.89Š| ||
| 1285 | S | 28.3 | Very low | 44.2 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -93.1 | 77 | -174 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1286 | S | 30.8 | Very low | 47.1 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | trans | -159 | 67 | 172.5 | 65.4 | 0 | 0 | 0 | 0 | 114.5 | P1284 | P1284-S1286 PolarHBondContact O-N 2.89Š| ||
| 1287 | L | 32.4 | Very low | 49.8 | Very low | 158 Ų | 158 | 113 Ų | 113 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | trans | -130.3 | 113.4 | 170.3 | -77.5 | 173 | 0 | 0 | 0 | 111.6 | W1289 | L1287-W1289 PolarHBondContact O-N 3.22Š| ||
| 1288 | S | 29.3 | Very low | 52.6 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 80% | 0.797 | 60% | 0.595 | S | S | * | * | trans | -72.5 | 105.3 | 168.3 | 52 | 0 | 0 | 0 | 0 | 109.7 | T1290 | S1288-T1290 PolarHBondContact O-N 2.75Å; S1288-T1290 VanDerWaalsContact O-N 3.09Å | ||
| 1289 | W | 41.2 | Very low | 55.4 | Low | 171 Ų | 171 | 105.4 Ų | 105.4 | 65% | 0.648 | 57% | 0.565 | S | S | * | * | trans | -53.7 | 114.4 | 174.9 | -67.8 | 87.3 | 0 | 0 | 0 | 111.1 | L1287 R1294 | L1287-W1289 PolarHBondContact O-N 3.22Å; W1289-R1294 HydrophobicContact CB-CG 4.12Å | ||
| 1290 | T | 61.6 | Low | 58.5 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | trans | -64.5 | 157.5 | 177.1 | 76.3 | 0 | 0 | 0 | 0 | 110.8 | S1288 N1292 S1293 R1294 | S1288-T1290 PolarHBondContact O-N 2.75Å; S1288-T1290 VanDerWaalsContact O-N 3.09Å; T1290-N1292 PolarHBondContact O-N 3.28Å; T1290-N1292 PolarHBondContact OG1-N 3.1Å; T1290-S1293 PolarHBondContact O-N 3.13Å; T1290-S1293 VanDerWaalsContact O-N 3.07Å; T1290-S1293 PolarHBondContact OG1-N 2.93Å; T1290-S1293 PolarHBondContact OG1-OG 3.19Å; T1290-R1294 PolarHBondContact O-N 2.68Å | ||
| 1291 | C | 59.2 | Low | 61.3 | Low | 45 Ų | 45 | 97 Ų | 97 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.5 | -37.1 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | R1294 K1295 | C1291-R1294 PolarHBondContact O-N 3.38Å; C1291-K1295 WeakPolarHBondContact O-CG 3.46Å; C1291-K1295 PolarHBondContact O-N 2.9Å; C1291-K1295 VanDerWaalsContact O-N 3.09Å; C1291-K1295 WeakPolarHBondContact SG-CE 3.41Å |
| 1292 | N | 77.3 | Confident | 64.2 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 176 | -70.2 | -6.4 | 0 | 0 | 0 | 111.8 | T1290 R1294 K1295 R1296 | T1290-N1292 PolarHBondContact O-N 3.28Å; T1290-N1292 PolarHBondContact OG1-N 3.1Å; N1292-R1294 VanDerWaalsContact C-N 3.26Å; N1292-R1294 PolarHBondContact O-N 3.38Å; N1292-K1295 PolarHBondContact O-N 3.28Å; N1292-K1295 VanDerWaalsContact O-N 3.11Å; N1292-R1296 WeakPolarHBondContact O-CB 3.41Å; N1292-R1296 PolarHBondContact O-N 3.41Å |
| 1293 | S | 79.3 | Confident | 67 | Low | 40 Ų | 40 | 84.4 Ų | 84.4 | 28% | 0.28 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 176.2 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | T1290 N1297 | T1290-S1293 PolarHBondContact O-N 3.13Å; T1290-S1293 VanDerWaalsContact O-N 3.07Å; T1290-S1293 PolarHBondContact OG1-N 2.93Å; T1290-S1293 PolarHBondContact OG1-OG 3.19Å; S1293-N1297 PolarHBondContact O-N 3.15Å |
| 1294 | R | 81.1 | Confident | 70.2 | Confident | 148 Ų | 148 | 79 Ų | 79 | 56% | 0.558 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.2 | -44.9 | 173.9 | -65.8 | -178.9 | -175.2 | 178.3 | 0.5 | 112.1 | W1289 T1290 C1291 N1292 M1298 | W1289-R1294 HydrophobicContact CB-CG 4.12Å; T1290-R1294 PolarHBondContact O-N 2.68Å; C1291-R1294 PolarHBondContact O-N 3.38Å; N1292-R1294 VanDerWaalsContact C-N 3.26Å; N1292-R1294 PolarHBondContact O-N 3.38Å; R1294-M1298 WeakPolarHBondContact O-CB 3.4Å; R1294-M1298 PolarHBondContact O-N 3.4Å |
| 1295 | K | 87.3 | Confident | 73 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 34% | 0.339 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 177.8 | -72 | 175 | -179.3 | 170.2 | 0 | 112.2 | C1291 N1292 M1298 H1299 Y1445 | C1291-K1295 WeakPolarHBondContact O-CG 3.46Å; C1291-K1295 PolarHBondContact O-N 2.9Å; C1291-K1295 VanDerWaalsContact O-N 3.09Å; C1291-K1295 WeakPolarHBondContact SG-CE 3.41Å; N1292-K1295 PolarHBondContact O-N 3.28Å; N1292-K1295 VanDerWaalsContact O-N 3.11Å; K1295-M1298 WeakPolarHBondContact O-CB 3.28Å; K1295-M1298 PolarHBondContact O-N 2.88Å; K1295-H1299 PolarHBondContact O-CD2 3.13Å; K1295-H1299 PolarHBondContact O-N 3.29Å; K1295-Y1445 HydrophobicContact CB-CD1 3.76Å; K1295-Y1445 HydrophobicContact CB-CD2 3.97Å; K1295-Y1445 HydrophobicContact CB-CE1 4.09Å; K1295-Y1445 HydrophobicContact CB-CE2 4.28Å; K1295-Y1445 HydrophobicContact CB-CG 3.68Å; K1295-Y1445 HydrophobicContact CD-CD1 3.79Å; K1295-Y1445 HydrophobicContact CD-CE1 3.42Å; K1295-Y1445 VanDerWaalsContact CD-CE1 3.42Å; K1295-Y1445 HydrophobicContact CG-CD1 4.42Å; K1295-Y1445 HydrophobicContact CG-CE1 4.37Å |
| 1296 | R | 92.4 | Very high | 76.1 | Confident | 6 Ų | 6 | 76.7 Ų | 76.7 | 2% | 0.023 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.1 | -57.4 | 173.9 | -172.8 | -177.9 | -179.3 | -102 | -4.1 | 111.2 | N1292 M1298 H1299 F1300 D1362 D1363 L1442 T1446 H1450 D1452 | N1292-R1296 WeakPolarHBondContact O-CB 3.41Å; N1292-R1296 PolarHBondContact O-N 3.41Å; R1296-M1298 VanDerWaalsContact C-N 3.26Å; R1296-M1298 PolarHBondContact O-N 3.43Å; R1296-H1299 PolarHBondContact O-N 2.65Å; R1296-F1300 PolarHBondContact O-N 2.98Å; R1296-D1362 IonicContact CZ-OD1 2.73Å; R1296-D1362 IonicContact CZ-OD2 3.87Å; R1296-D1362 PolarHBondContact NH1-O 3.36Å; R1296-D1362 VanDerWaalsContact NH1-O 3.15Å; R1296-D1362 IonicContact NH1-OD1 2.63Å; R1296-D1362 IonicContact NH1-OD2 3.67Å; R1296-D1362 PolarHBondContact NH1-OD2 2.9Å; R1296-D1362 PolarHBondContact NH2-O 3.47Å; R1296-D1363 IonicContact CZ-OD1 3.57Å; R1296-D1363 IonicContact NH1-OD1 3.81Å; R1296-D1363 PolarHBondContact NH1-OD1 2.77Å; R1296-L1442 HydrophobicContact CB-CD1 4.45Å; R1296-L1442 HydrophobicContact CG-CD1 3.62Å; R1296-L1442 HydrophobicContact CG-CG 4.36Å; R1296-L1442 VanDerWaalsContact O-CD1 3.22Å; R1296-L1442 WeakPolarHBondContact O-CD1 3.48Å; R1296-T1446 WeakPolarHBondContact CD-OG1 3.44Å; R1296-T1446 PolarHBondContact NE-OG1 3.22Å; R1296-H1450 PolarHBondContact NH1-NE2 3.47Å; R1296-H1450 PolarHBondContact NH2-CE1 3.31Å; R1296-D1452 IonicContact NH2-OD2 2.76Å |
| 1297 | N | 90.4 | Very high | 79.2 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.9 | -35.1 | 175.6 | 174 | 68.1 | 0 | 0 | 0 | 112.5 | S1293 H1299 F1300 Q1301 | S1293-N1297 PolarHBondContact O-N 3.15Å; N1297-H1299 PolarHBondContact O-N 2.87Å; N1297-F1300 PolarHBondContact O-N 3.02Å; N1297-Q1301 VanDerWaalsContact O-CG 3.27Å; N1297-Q1301 WeakPolarHBondContact O-CG 3.48Å; N1297-Q1301 PolarHBondContact O-N 3.16Å |
| 1298 | M | 89 | Confident | 82.1 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.3 | -175 | -168.3 | 75.5 | 0 | 0 | 112.2 | R1294 K1295 R1296 Q1301 E1302 | R1294-M1298 WeakPolarHBondContact O-CB 3.4Å; R1294-M1298 PolarHBondContact O-N 3.4Å; K1295-M1298 WeakPolarHBondContact O-CB 3.28Å; K1295-M1298 PolarHBondContact O-N 2.88Å; R1296-M1298 VanDerWaalsContact C-N 3.26Å; R1296-M1298 PolarHBondContact O-N 3.43Å; M1298-Q1301 PolarHBondContact O-N 2.84Å; M1298-E1302 WeakPolarHBondContact O-CB 3.35Å; M1298-E1302 PolarHBondContact O-N 3.27Å |
| 1299 | H | 91.7 | Very high | 85.2 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.6 | -33.2 | 175.1 | -74.1 | -69.1 | 0 | 0 | 0 | 112.9 | K1295 R1296 N1297 E1302 L1303 L1442 Y1445 | K1295-H1299 PolarHBondContact O-CD2 3.13Å; K1295-H1299 PolarHBondContact O-N 3.29Å; R1296-H1299 PolarHBondContact O-N 2.65Å; N1297-H1299 PolarHBondContact O-N 2.87Å; H1299-E1302 PolarHBondContact O-N 3.38Å; H1299-L1303 WeakPolarHBondContact O-CB 3.13Å; H1299-L1303 PolarHBondContact O-N 3.49Å; H1299-L1442 HydrophobicContact CB-CD1 3.82Å; H1299-Y1445 AromaticContact CD2-CD2 3.57Å; H1299-Y1445 AromaticContact CD2-CE2 3.68Å; H1299-Y1445 AromaticContact NE2-CD2 3.8Å; H1299-Y1445 AromaticContact NE2-CE2 3.36Å; H1299-Y1445 WeakPolarHBondContact NE2-CE2 3.49Å |
| 1300 | F | 94.4 | Very high | 87.8 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 171.2 | 167.7 | -117.1 | 0 | 0 | 0 | 112.7 | R1296 N1297 E1302 L1303 L1304 L1357 G1361 D1362 V1365 L1442 | R1296-F1300 PolarHBondContact O-N 2.98Å; N1297-F1300 PolarHBondContact O-N 3.02Å; F1300-E1302 VanDerWaalsContact C-N 3.33Å; F1300-E1302 PolarHBondContact O-N 3.28Å; F1300-L1303 WeakPolarHBondContact O-CB 3.45Å; F1300-L1303 PolarHBondContact O-N 3.47Å; F1300-L1304 HydrophobicContact CD1-CD1 4.41Å; F1300-L1304 HydrophobicContact CD2-CD1 4.4Å; F1300-L1304 HydrophobicContact CD2-CG 4.45Å; F1300-L1304 HydrophobicContact CE1-CD1 3.78Å; F1300-L1304 HydrophobicContact CE2-CD1 3.78Å; F1300-L1304 HydrophobicContact CE2-CG 3.99Å; F1300-L1304 HydrophobicContact CZ-CD1 3.43Å; F1300-L1304 VanDerWaalsContact CZ-CD1 3.43Å; F1300-L1304 HydrophobicContact CZ-CG 4.16Å; F1300-L1304 PolarHBondContact O-N 3.31Å; F1300-L1357 HydrophobicContact CE2-CB 4.44Å; F1300-G1361 VanDerWaalsContact CZ-C 3.42Å; F1300-D1362 HydrophobicContact CB-CB 4.36Å; F1300-D1362 WeakPolarHBondContact CB-OD1 3.29Å; F1300-D1362 HydrophobicContact CD1-CB 3.66Å; F1300-D1362 HydrophobicContact CE1-CB 4.1Å; F1300-D1362 HydrophobicContact CG-CB 4.02Å; F1300-V1365 HydrophobicContact CD2-CG2 3.37Å; F1300-V1365 HydrophobicContact CE2-CG2 3.81Å; F1300-V1365 HydrophobicContact CG-CG2 4.24Å; F1300-L1442 HydrophobicContact CB-CD1 4.5Å |
| 1301 | Q | 92.7 | Very high | 89.5 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67 | -33.6 | 174.5 | -65.3 | -62 | -34.7 | 0 | 0 | 112.1 | N1297 M1298 R1305 | N1297-Q1301 VanDerWaalsContact O-CG 3.27Å; N1297-Q1301 WeakPolarHBondContact O-CG 3.48Å; N1297-Q1301 PolarHBondContact O-N 3.16Å; M1298-Q1301 PolarHBondContact O-N 2.84Å; Q1301-R1305 VanDerWaalsContact O-CB 3.25Å; Q1301-R1305 WeakPolarHBondContact O-CB 3.12Å; Q1301-R1305 PolarHBondContact O-N 3.15Å |
| 1302 | E | 92.6 | Very high | 91.2 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 170.7 | -166.7 | -70.3 | 130.5 | 0 | 0 | 111.3 | M1298 H1299 F1300 L1304 R1305 S1306 | M1298-E1302 WeakPolarHBondContact O-CB 3.35Å; M1298-E1302 PolarHBondContact O-N 3.27Å; H1299-E1302 PolarHBondContact O-N 3.38Å; F1300-E1302 VanDerWaalsContact C-N 3.33Å; F1300-E1302 PolarHBondContact O-N 3.28Å; E1302-L1304 PolarHBondContact O-N 3.02Å; E1302-R1305 PolarHBondContact O-N 3.37Å; E1302-S1306 VanDerWaalsContact O-CB 3.31Å; E1302-S1306 WeakPolarHBondContact O-CB 3.45Å; E1302-S1306 PolarHBondContact O-N 3.27Å; E1302-S1306 PolarHBondContact O-OG 2.98Å; E1302-S1306 VanDerWaalsContact OE1-CB 3.3Å; E1302-S1306 WeakPolarHBondContact OE1-CB 3.46Å; E1302-S1306 PolarHBondContact OE1-OG 3.3Å |
| 1303 | L | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 176.7 | 175.2 | 63.4 | 0 | 0 | 0 | 111.5 | H1299 F1300 S1306 E1307 F1353 L1357 V1365 R1431 V1438 L1439 | H1299-L1303 WeakPolarHBondContact O-CB 3.13Å; H1299-L1303 PolarHBondContact O-N 3.49Å; F1300-L1303 WeakPolarHBondContact O-CB 3.45Å; F1300-L1303 PolarHBondContact O-N 3.47Å; L1303-S1306 PolarHBondContact O-OG 3.43Å; L1303-S1306 VanDerWaalsContact O-OG 3.13Å; L1303-E1307 VanDerWaalsContact O-CB 3.31Å; L1303-E1307 WeakPolarHBondContact O-CB 3.29Å; L1303-E1307 PolarHBondContact O-N 3.12Å; L1303-F1353 HydrophobicContact CD1-CE1 4.45Å; L1303-L1357 HydrophobicContact CD2-CD1 4.04Å; L1303-L1357 HydrophobicContact CD2-CD2 3.94Å; L1303-L1357 HydrophobicContact CG-CD1 4.01Å; L1303-V1365 HydrophobicContact CD2-CG1 3.61Å; L1303-R1431 PolarHBondContact O-NH2 3.41Å; L1303-V1438 HydrophobicContact CB-CG1 4.01Å; L1303-V1438 HydrophobicContact CD1-CG1 3.99Å; L1303-V1438 HydrophobicContact CG-CG1 4.46Å; L1303-L1439 HydrophobicContact CD2-CD2 4.37Å |
| 1304 | L | 94.1 | Very high | 92.9 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 177.5 | -83.6 | 175 | 0 | 0 | 0 | 112.3 | F1300 E1302 E1307 S1308 L1357 | F1300-L1304 HydrophobicContact CD1-CD1 4.41Å; F1300-L1304 HydrophobicContact CD2-CD1 4.4Å; F1300-L1304 HydrophobicContact CD2-CG 4.45Å; F1300-L1304 HydrophobicContact CE1-CD1 3.78Å; F1300-L1304 HydrophobicContact CE2-CD1 3.78Å; F1300-L1304 HydrophobicContact CE2-CG 3.99Å; F1300-L1304 HydrophobicContact CZ-CD1 3.43Å; F1300-L1304 VanDerWaalsContact CZ-CD1 3.43Å; F1300-L1304 HydrophobicContact CZ-CG 4.16Å; F1300-L1304 PolarHBondContact O-N 3.31Å; E1302-L1304 PolarHBondContact O-N 3.02Å; L1304-E1307 PolarHBondContact O-N 3.4Å; L1304-S1308 PolarHBondContact O-N 3.37Å; L1304-L1357 HydrophobicContact CD2-CB 3.64Å; L1304-L1357 HydrophobicContact CD2-CD1 4.03Å |
| 1305 | R | 92.9 | Very high | 93.6 | Very high | 164 Ų | 164 | 48.1 Ų | 48.1 | 62% | 0.619 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.9 | -44.8 | -179.3 | -175.6 | -175.8 | 66.4 | 160 | 1.1 | 111.6 | Q1301 E1302 E1307 S1308 N1309 | Q1301-R1305 VanDerWaalsContact O-CB 3.25Å; Q1301-R1305 WeakPolarHBondContact O-CB 3.12Å; Q1301-R1305 PolarHBondContact O-N 3.15Å; E1302-R1305 PolarHBondContact O-N 3.37Å; R1305-E1307 VanDerWaalsContact C-N 3.29Å; R1305-E1307 PolarHBondContact O-N 2.95Å; R1305-S1308 PolarHBondContact O-N 3.32Å; R1305-N1309 VanDerWaalsContact O-CG 3.31Å; R1305-N1309 PolarHBondContact O-N 2.77Å; R1305-N1309 VanDerWaalsContact O-N 3.13Å; R1305-N1309 PolarHBondContact O-OD1 2.85Å |
| 1306 | S | 93.7 | Very high | 94 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.8 | -27.2 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | E1302 L1303 Y1310 R1431 | E1302-S1306 VanDerWaalsContact O-CB 3.31Å; E1302-S1306 WeakPolarHBondContact O-CB 3.45Å; E1302-S1306 PolarHBondContact O-N 3.27Å; E1302-S1306 PolarHBondContact O-OG 2.98Å; E1302-S1306 VanDerWaalsContact OE1-CB 3.3Å; E1302-S1306 WeakPolarHBondContact OE1-CB 3.46Å; E1302-S1306 PolarHBondContact OE1-OG 3.3Å; L1303-S1306 PolarHBondContact O-OG 3.43Å; L1303-S1306 VanDerWaalsContact O-OG 3.13Å; S1306-Y1310 WeakPolarHBondContact O-CB 3.26Å; S1306-Y1310 PolarHBondContact O-N 2.9Å; S1306-Y1310 VanDerWaalsContact O-N 3.16Å; S1306-R1431 VanDerWaalsContact CB-NH1 3.34Å; S1306-R1431 PolarHBondContact OG-NH1 2.8Å; S1306-R1431 PolarHBondContact OG-NH2 3.48Å |
| 1307 | E | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.1 | -41.1 | 172.9 | -162.1 | 63 | -156.9 | 0 | 0 | 112 | L1303 L1304 R1305 Y1310 V1311 F1353 I1354 R1431 Y1435 | L1303-E1307 VanDerWaalsContact O-CB 3.31Å; L1303-E1307 WeakPolarHBondContact O-CB 3.29Å; L1303-E1307 PolarHBondContact O-N 3.12Å; L1304-E1307 PolarHBondContact O-N 3.4Å; R1305-E1307 VanDerWaalsContact C-N 3.29Å; R1305-E1307 PolarHBondContact O-N 2.95Å; E1307-Y1310 PolarHBondContact O-N 2.86Å; E1307-Y1310 WeakPolarHBondContact OE1-CD1 3.48Å; E1307-V1311 WeakPolarHBondContact O-CG2 3.46Å; E1307-V1311 PolarHBondContact O-N 3.32Å; E1307-F1353 HydrophobicContact CG-CD1 4.07Å; E1307-F1353 HydrophobicContact CG-CE1 4.46Å; E1307-I1354 HydrophobicContact CB-CD1 4.3Å; E1307-I1354 HydrophobicContact CB-CG1 3.95Å; E1307-I1354 HydrophobicContact CG-CD1 3.92Å; E1307-I1354 HydrophobicContact CG-CG1 3.39Å; E1307-R1431 VanDerWaalsContact N-NH2 3.14Å; E1307-R1431 IonicContact OE2-CZ 2.67Å; E1307-R1431 IonicContact OE2-NE 2.68Å; E1307-R1431 PolarHBondContact OE2-NE 2.9Å; E1307-R1431 IonicContact OE2-NH2 3.21Å; E1307-R1431 PolarHBondContact OE2-NH2 3.27Å; E1307-Y1435 PolarHBondContact OE1-OH 2.8Å; E1307-Y1435 PolarHBondContact OE2-OH 3.12Å |
| 1308 | S | 95 | Very high | 94.5 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 174.2 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | L1304 R1305 Y1310 V1311 E1312 | L1304-S1308 PolarHBondContact O-N 3.37Å; R1305-S1308 PolarHBondContact O-N 3.32Å; S1308-Y1310 VanDerWaalsContact C-N 3.29Å; S1308-Y1310 PolarHBondContact O-N 3.31Å; S1308-V1311 PolarHBondContact O-N 3.01Å; S1308-E1312 WeakPolarHBondContact O-CG 3.41Å; S1308-E1312 PolarHBondContact O-N 3.47Å; S1308-E1312 PolarHBondContact OG-OE1 3.07Å |
| 1309 | N | 93.5 | Very high | 94.8 | Very high | 90 Ų | 90 | 41.5 Ų | 41.5 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 177.8 | -67 | 11.4 | 0 | 0 | 0 | 111.9 | R1305 E1312 D1313 | R1305-N1309 VanDerWaalsContact O-CG 3.31Å; R1305-N1309 PolarHBondContact O-N 2.77Å; R1305-N1309 VanDerWaalsContact O-N 3.13Å; R1305-N1309 PolarHBondContact O-OD1 2.85Å; N1309-E1312 PolarHBondContact O-N 3.25Å; N1309-D1313 PolarHBondContact O-N 3.06Å |
| 1310 | Y | 96.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 176.2 | 167.7 | -120.2 | 0 | 0 | 0 | 112.3 | S1306 E1307 S1308 E1312 D1313 L1314 S1350 F1379 I1427 P1428 R1431 | S1306-Y1310 WeakPolarHBondContact O-CB 3.26Å; S1306-Y1310 PolarHBondContact O-N 2.9Å; S1306-Y1310 VanDerWaalsContact O-N 3.16Å; E1307-Y1310 PolarHBondContact O-N 2.86Å; E1307-Y1310 WeakPolarHBondContact OE1-CD1 3.48Å; S1308-Y1310 VanDerWaalsContact C-N 3.29Å; S1308-Y1310 PolarHBondContact O-N 3.31Å; Y1310-E1312 VanDerWaalsContact C-N 3.33Å; Y1310-E1312 PolarHBondContact O-N 2.9Å; Y1310-D1313 PolarHBondContact O-N 3.14Å; Y1310-L1314 HydrophobicContact CD2-CD2 4.48Å; Y1310-L1314 HydrophobicContact CD2-CG 4.26Å; Y1310-L1314 HydrophobicContact CE1-CD1 3.93Å; Y1310-L1314 HydrophobicContact CE1-CG 4.44Å; Y1310-L1314 HydrophobicContact CE2-CD1 4.11Å; Y1310-L1314 HydrophobicContact CE2-CD2 3.66Å; Y1310-L1314 HydrophobicContact CE2-CG 3.78Å; Y1310-L1314 WeakPolarHBondContact O-CG 3.45Å; Y1310-L1314 PolarHBondContact O-N 3.16Å; Y1310-S1350 WeakPolarHBondContact CE1-OG 3.49Å; Y1310-F1379 HydrophobicContact CE1-CE1 4.38Å; Y1310-F1379 HydrophobicContact CE1-CZ 4.26Å; Y1310-F1379 VanDerWaalsContact OH-CE1 3.25Å; Y1310-F1379 WeakPolarHBondContact OH-CE1 3.45Å; Y1310-I1427 HydrophobicContact CD2-CG2 3.63Å; Y1310-I1427 HydrophobicContact CE2-CG2 3.86Å; Y1310-P1428 WeakPolarHBondContact OH-CA 3.27Å; Y1310-R1431 HydrophobicContact CD1-CB 4.34Å; Y1310-R1431 HydrophobicContact CD1-CG 3.72Å; Y1310-R1431 HydrophobicContact CD2-CB 4.14Å; Y1310-R1431 HydrophobicContact CD2-CG 4.32Å; Y1310-R1431 HydrophobicContact CE1-CB 4.26Å; Y1310-R1431 HydrophobicContact CE1-CG 3.89Å; Y1310-R1431 HydrophobicContact CE2-CB 4.07Å; Y1310-R1431 HydrophobicContact CE2-CG 4.48Å; Y1310-R1431 HydrophobicContact CG-CB 4.28Å; Y1310-R1431 HydrophobicContact CG-CG 3.95Å |
| 1311 | V | 96.2 | Very high | 95 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.3 | 164.4 | 0 | 0 | 0 | 0 | 111.7 | E1307 S1308 L1314 I1315 R1351 I1354 | E1307-V1311 WeakPolarHBondContact O-CG2 3.46Å; E1307-V1311 PolarHBondContact O-N 3.32Å; S1308-V1311 PolarHBondContact O-N 3.01Å; V1311-L1314 PolarHBondContact O-N 3.1Å; V1311-I1315 HydrophobicContact CG1-CD1 3.72Å; V1311-I1315 WeakPolarHBondContact O-CB 3.32Å; V1311-I1315 VanDerWaalsContact O-CD1 3.26Å; V1311-I1315 WeakPolarHBondContact O-CD1 3.25Å; V1311-I1315 WeakPolarHBondContact O-CG1 3.45Å; V1311-I1315 PolarHBondContact O-N 3.42Å; V1311-R1351 HydrophobicContact CG1-CG 3.65Å; V1311-R1351 HydrophobicContact CG2-CG 4.49Å; V1311-I1354 HydrophobicContact CB-CD1 3.96Å; V1311-I1354 HydrophobicContact CG1-CD1 4.41Å; V1311-I1354 HydrophobicContact CG2-CD1 3.63Å; V1311-I1354 HydrophobicContact CG2-CG1 4.48Å |
| 1312 | E | 95.2 | Very high | 95 | Very high | 116 Ų | 116 | 36.3 Ų | 36.3 | 54% | 0.542 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 172.8 | -75.5 | 174.3 | -136.4 | 0 | 0 | 112 | S1308 N1309 Y1310 I1315 M1316 | S1308-E1312 WeakPolarHBondContact O-CG 3.41Å; S1308-E1312 PolarHBondContact O-N 3.47Å; S1308-E1312 PolarHBondContact OG-OE1 3.07Å; N1309-E1312 PolarHBondContact O-N 3.25Å; Y1310-E1312 VanDerWaalsContact C-N 3.33Å; Y1310-E1312 PolarHBondContact O-N 2.9Å; E1312-I1315 PolarHBondContact O-N 2.96Å; E1312-M1316 VanDerWaalsContact O-CB 3.3Å; E1312-M1316 WeakPolarHBondContact O-CB 3.49Å; E1312-M1316 PolarHBondContact O-N 2.79Å |
| 1313 | D | 95.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 174.5 | -86.8 | -24 | 0 | 0 | 0 | 112.6 | N1309 Y1310 I1315 M1316 V1317 R1417 | N1309-D1313 PolarHBondContact O-N 3.06Å; Y1310-D1313 PolarHBondContact O-N 3.14Å; D1313-I1315 VanDerWaalsContact C-N 3.32Å; D1313-I1315 PolarHBondContact O-N 3.1Å; D1313-M1316 WeakPolarHBondContact O-CB 3.47Å; D1313-M1316 PolarHBondContact O-N 2.87Å; D1313-V1317 VanDerWaalsContact O-CG2 3.31Å; D1313-V1317 WeakPolarHBondContact O-CG2 3.47Å; D1313-V1317 PolarHBondContact O-N 3.08Å; D1313-R1417 IonicContact OD1-CZ 3.5Å; D1313-R1417 IonicContact OD1-NH2 3.06Å; D1313-R1417 PolarHBondContact OD1-NH2 3.47Å; D1313-R1417 IonicContact OD2-CZ 2.7Å; D1313-R1417 IonicContact OD2-NH2 3.44Å; D1313-R1417 PolarHBondContact OD2-NH2 3.26Å |
| 1314 | L | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.7 | -64.6 | -178.2 | 0 | 0 | 0 | 112 | Y1310 V1311 R1318 W1343 L1346 I1347 P1428 | Y1310-L1314 HydrophobicContact CD2-CD2 4.48Å; Y1310-L1314 HydrophobicContact CD2-CG 4.26Å; Y1310-L1314 HydrophobicContact CE1-CD1 3.93Å; Y1310-L1314 HydrophobicContact CE1-CG 4.44Å; Y1310-L1314 HydrophobicContact CE2-CD1 4.11Å; Y1310-L1314 HydrophobicContact CE2-CD2 3.66Å; Y1310-L1314 HydrophobicContact CE2-CG 3.78Å; Y1310-L1314 WeakPolarHBondContact O-CG 3.45Å; Y1310-L1314 PolarHBondContact O-N 3.16Å; V1311-L1314 PolarHBondContact O-N 3.1Å; L1314-R1318 PolarHBondContact O-N 2.83Å; L1314-W1343 HydrophobicContact CB-CZ2 4.44Å; L1314-W1343 HydrophobicContact CD2-CH2 3.81Å; L1314-W1343 HydrophobicContact CD2-CZ2 3.42Å; L1314-W1343 VanDerWaalsContact CD2-CZ2 3.42Å; L1314-W1343 PolarHBondContact O-NE1 2.94Å; L1314-L1346 HydrophobicContact CD1-CB 4.19Å; L1314-I1347 HydrophobicContact CB-CD1 4.38Å; L1314-I1347 HydrophobicContact CB-CG1 3.57Å; L1314-I1347 HydrophobicContact CD1-CG1 4.15Å; L1314-I1347 HydrophobicContact CG-CG1 4.5Å; L1314-P1428 HydrophobicContact CD2-CG 4.05Å |
| 1315 | I | 96.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 18% | 0.179 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 177.2 | -70.3 | 159.7 | 0 | 0 | 0 | 110.6 | V1311 E1312 D1313 V1317 R1318 D1319 I1347 | V1311-I1315 HydrophobicContact CG1-CD1 3.72Å; V1311-I1315 WeakPolarHBondContact O-CB 3.32Å; V1311-I1315 VanDerWaalsContact O-CD1 3.26Å; V1311-I1315 WeakPolarHBondContact O-CD1 3.25Å; V1311-I1315 WeakPolarHBondContact O-CG1 3.45Å; V1311-I1315 PolarHBondContact O-N 3.42Å; E1312-I1315 PolarHBondContact O-N 2.96Å; D1313-I1315 VanDerWaalsContact C-N 3.32Å; D1313-I1315 PolarHBondContact O-N 3.1Å; I1315-V1317 PolarHBondContact O-N 3.4Å; I1315-R1318 PolarHBondContact O-N 3.21Å; I1315-D1319 WeakPolarHBondContact CG2-OD2 3.28Å; I1315-D1319 WeakPolarHBondContact O-CB 3.37Å; I1315-D1319 VanDerWaalsContact O-CG 3.29Å; I1315-D1319 PolarHBondContact O-N 3.05Å; I1315-I1347 HydrophobicContact CG1-CG2 4.29Å |
| 1316 | M | 95.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.054 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 178.1 | -175.8 | -71.8 | -65.4 | 0 | 0 | 110.8 | E1312 D1313 R1318 D1319 V1320 F1321 K1415 A1416 F1424 | E1312-M1316 VanDerWaalsContact O-CB 3.3Å; E1312-M1316 WeakPolarHBondContact O-CB 3.49Å; E1312-M1316 PolarHBondContact O-N 2.79Å; D1313-M1316 WeakPolarHBondContact O-CB 3.47Å; D1313-M1316 PolarHBondContact O-N 2.87Å; M1316-R1318 VanDerWaalsContact C-N 3.31Å; M1316-R1318 PolarHBondContact O-N 3.28Å; M1316-D1319 PolarHBondContact O-N 2.99Å; M1316-V1320 HydrophobicContact CG-CG2 3.94Å; M1316-V1320 VanDerWaalsContact O-CB 3.26Å; M1316-V1320 WeakPolarHBondContact O-CB 3.22Å; M1316-V1320 WeakPolarHBondContact O-CG2 3.36Å; M1316-V1320 PolarHBondContact O-N 2.94Å; M1316-V1320 HydrophobicContact SD-CB 3.76Å; M1316-V1320 HydrophobicContact SD-CG1 4.25Å; M1316-V1320 HydrophobicContact SD-CG2 3.74Å; M1316-F1321 HydrophobicContact CE-CE2 4.37Å; M1316-F1321 HydrophobicContact SD-CD2 4.38Å; M1316-F1321 HydrophobicContact SD-CE2 4.13Å; M1316-K1415 HydrophobicContact CG-CB 3.51Å; M1316-K1415 WeakPolarHBondContact CG-O 3.36Å; M1316-K1415 HydrophobicContact SD-CB 4.42Å; M1316-A1416 HydrophobicContact SD-CB 4.24Å; M1316-F1424 HydrophobicContact CE-CD1 3.69Å; M1316-F1424 HydrophobicContact CE-CD2 4.11Å; M1316-F1424 HydrophobicContact CE-CE1 3.26Å; M1316-F1424 HydrophobicContact CE-CE2 3.69Å; M1316-F1424 HydrophobicContact CE-CG 4.12Å; M1316-F1424 HydrophobicContact CE-CZ 3.27Å |
| 1317 | V | 96.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -57.2 | -44.2 | 178.9 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | D1313 I1315 D1319 F1321 Q1322 F1340 W1343 L1421 F1424 | D1313-V1317 VanDerWaalsContact O-CG2 3.31Å; D1313-V1317 WeakPolarHBondContact O-CG2 3.47Å; D1313-V1317 PolarHBondContact O-N 3.08Å; I1315-V1317 PolarHBondContact O-N 3.4Å; V1317-D1319 VanDerWaalsContact C-N 3.34Å; V1317-D1319 PolarHBondContact O-N 3.47Å; V1317-F1321 WeakPolarHBondContact O-CA 3.48Å; V1317-F1321 WeakPolarHBondContact O-CB 3.35Å; V1317-F1321 PolarHBondContact O-N 2.84Å; V1317-Q1322 PolarHBondContact O-N 3.41Å; V1317-Q1322 VanDerWaalsContact O-N 3.07Å; V1317-F1340 HydrophobicContact CG1-CD1 4.21Å; V1317-F1340 HydrophobicContact CG1-CE1 3.61Å; V1317-W1343 HydrophobicContact CB-CZ2 3.55Å; V1317-W1343 HydrophobicContact CG1-CD2 4.42Å; V1317-W1343 HydrophobicContact CG1-CH2 4.22Å; V1317-W1343 HydrophobicContact CG1-CZ2 3.53Å; V1317-W1343 HydrophobicContact CG2-CH2 4.43Å; V1317-W1343 HydrophobicContact CG2-CZ2 3.75Å; V1317-L1421 HydrophobicContact CG1-CD1 3.92Å; V1317-F1424 HydrophobicContact CG2-CB 3.48Å; V1317-F1424 VanDerWaalsContact CG2-CB 3.48Å; V1317-F1424 HydrophobicContact CG2-CD1 3.83Å; V1317-F1424 HydrophobicContact CG2-CD2 4.45Å; V1317-F1424 HydrophobicContact CG2-CG 3.67Å |
| 1318 | R | 95.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -63.4 | -40.1 | 176.7 | -174 | -162.7 | 65.9 | -154.3 | -6.7 | 112 | L1314 I1315 M1316 R1323 I1347 | L1314-R1318 PolarHBondContact O-N 2.83Å; I1315-R1318 PolarHBondContact O-N 3.21Å; M1316-R1318 VanDerWaalsContact C-N 3.31Å; M1316-R1318 PolarHBondContact O-N 3.28Å; R1318-R1323 WeakPolarHBondContact O-CB 3.36Å; R1318-R1323 WeakPolarHBondContact O-CD 3.29Å; R1318-R1323 VanDerWaalsContact O-CG 3.28Å; R1318-R1323 WeakPolarHBondContact O-CG 3.39Å; R1318-R1323 PolarHBondContact O-N 3.39Å; R1318-I1347 HydrophobicContact CB-CD1 4.03Å; R1318-I1347 HydrophobicContact CG-CD1 4.42Å |
| 1319 | D | 95.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -91.3 | -22.4 | -169.8 | -66.5 | -12.2 | 0 | 0 | 0 | 113.9 | I1315 M1316 V1317 R1323 P1324 | I1315-D1319 WeakPolarHBondContact CG2-OD2 3.28Å; I1315-D1319 WeakPolarHBondContact O-CB 3.37Å; I1315-D1319 VanDerWaalsContact O-CG 3.29Å; I1315-D1319 PolarHBondContact O-N 3.05Å; M1316-D1319 PolarHBondContact O-N 2.99Å; V1317-D1319 VanDerWaalsContact C-N 3.34Å; V1317-D1319 PolarHBondContact O-N 3.47Å; D1319-R1323 VanDerWaalsContact OD1-CD 3.22Å; D1319-R1323 WeakPolarHBondContact OD1-CD 3.26Å; D1319-R1323 IonicContact OD1-CZ 3.95Å; D1319-R1323 IonicContact OD1-NE 2.63Å; D1319-R1323 PolarHBondContact OD1-NE 2.83Å; D1319-R1323 IonicContact OD1-NH1 2.65Å; D1319-R1323 PolarHBondContact OD1-NH1 3.26Å; D1319-R1323 IonicContact OD2-NH1 3.73Å; D1319-P1324 WeakPolarHBondContact O-CD 3.39Å; D1319-P1324 WeakPolarHBondContact O-CG 3.49Å |
| 1320 | V | 94.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -103.9 | -38.7 | -179.4 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | M1316 P1324 C1410 H1413 K1415 A1416 | M1316-V1320 HydrophobicContact CG-CG2 3.94Å; M1316-V1320 VanDerWaalsContact O-CB 3.26Å; M1316-V1320 WeakPolarHBondContact O-CB 3.22Å; M1316-V1320 WeakPolarHBondContact O-CG2 3.36Å; M1316-V1320 PolarHBondContact O-N 2.94Å; M1316-V1320 HydrophobicContact SD-CB 3.76Å; M1316-V1320 HydrophobicContact SD-CG1 4.25Å; M1316-V1320 HydrophobicContact SD-CG2 3.74Å; V1320-P1324 VanDerWaalsContact O-CG 3.26Å; V1320-P1324 WeakPolarHBondContact O-CG 3.42Å; V1320-C1410 HydrophobicContact CG1-CB 4.41Å; V1320-C1410 WeakPolarHBondContact CG1-O 3.41Å; V1320-C1410 PolarHBondContact O-SG 2.97Å; V1320-H1413 HydrophobicContact CG1-CB 3.55Å; V1320-K1415 HydrophobicContact CG2-CB 4.31Å; V1320-A1416 HydrophobicContact CG1-CB 4.38Å |
| 1321 | F | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -101.1 | -63.7 | 179.5 | -65.4 | -99.8 | 0 | 0 | 0 | 111.4 | M1316 V1317 P1324 M1325 F1340 C1410 A1416 L1421 F1424 | M1316-F1321 HydrophobicContact CE-CE2 4.37Å; M1316-F1321 HydrophobicContact SD-CD2 4.38Å; M1316-F1321 HydrophobicContact SD-CE2 4.13Å; V1317-F1321 WeakPolarHBondContact O-CA 3.48Å; V1317-F1321 WeakPolarHBondContact O-CB 3.35Å; V1317-F1321 PolarHBondContact O-N 2.84Å; F1321-P1324 WeakPolarHBondContact O-CD 3.27Å; F1321-M1325 WeakPolarHBondContact O-CB 3.29Å; F1321-M1325 WeakPolarHBondContact O-CG 3.36Å; F1321-M1325 PolarHBondContact O-N 3.33Å; F1321-F1340 HydrophobicContact CB-CZ 4.28Å; F1321-C1410 HydrophobicContact CB-CB 4.48Å; F1321-C1410 HydrophobicContact CD1-CB 3.28Å; F1321-C1410 HydrophobicContact CD2-CB 4.38Å; F1321-C1410 HydrophobicContact CE1-CB 3.44Å; F1321-C1410 VanDerWaalsContact CE1-CB 3.44Å; F1321-C1410 HydrophobicContact CG-CB 3.8Å; F1321-C1410 HydrophobicContact CZ-CB 4.08Å; F1321-A1416 HydrophobicContact CE2-CB 3.92Å; F1321-A1416 HydrophobicContact CZ-CB 4.07Å; F1321-L1421 HydrophobicContact CB-CD1 4.1Å; F1321-L1421 HydrophobicContact CB-CD2 4.5Å; F1321-L1421 HydrophobicContact CD1-CB 3.83Å; F1321-L1421 HydrophobicContact CD1-CD1 4.08Å; F1321-L1421 HydrophobicContact CD1-CD2 4.25Å; F1321-L1421 HydrophobicContact CD1-CG 4.27Å; F1321-L1421 HydrophobicContact CD2-CD1 4.4Å; F1321-L1421 HydrophobicContact CE1-CB 3.84Å; F1321-L1421 HydrophobicContact CG-CD1 3.95Å; F1321-F1424 HydrophobicContact CE2-CD2 4.24Å; F1321-F1424 HydrophobicContact CE2-CE2 4.31Å; F1321-F1424 HydrophobicContact CZ-CD2 4.44Å; F1321-F1424 HydrophobicContact CZ-CE2 4.5Å |
| 1322 | Q | 94.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -61.7 | -55.3 | -169.3 | -168.3 | -176.6 | 24.5 | 0 | 0 | 112.7 | V1317 I1326 S1336 F1340 | V1317-Q1322 PolarHBondContact O-N 3.41Å; V1317-Q1322 VanDerWaalsContact O-N 3.07Å; Q1322-I1326 HydrophobicContact CG-CD1 3.94Å; Q1322-I1326 VanDerWaalsContact O-CG1 3.27Å; Q1322-I1326 WeakPolarHBondContact O-CG1 3.14Å; Q1322-I1326 PolarHBondContact O-N 3.04Å; Q1322-I1326 VanDerWaalsContact O-N 3.14Å; Q1322-S1336 PolarHBondContact NE2-OG 2.74Å; Q1322-F1340 HydrophobicContact CB-CD1 4.37Å; Q1322-F1340 HydrophobicContact CB-CD2 4.22Å; Q1322-F1340 HydrophobicContact CB-CE1 4.02Å; Q1322-F1340 HydrophobicContact CB-CE2 3.88Å; Q1322-F1340 HydrophobicContact CB-CG 4.46Å; Q1322-F1340 HydrophobicContact CB-CZ 3.76Å; Q1322-F1340 HydrophobicContact CG-CD2 3.75Å; Q1322-F1340 HydrophobicContact CG-CE2 3.81Å; Q1322-F1340 HydrophobicContact CG-CG 4.13Å; Q1322-F1340 HydrophobicContact CG-CZ 4.21Å |
| 1323 | R | 93.7 | Very high | 91.5 | Very high | 132 Ų | 132 | 58.2 Ų | 58.2 | 50% | 0.498 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | -176.8 | -76.1 | 164.2 | 167 | -168.9 | -10.9 | 113 | R1318 D1319 R1327 | R1318-R1323 WeakPolarHBondContact O-CB 3.36Å; R1318-R1323 WeakPolarHBondContact O-CD 3.29Å; R1318-R1323 VanDerWaalsContact O-CG 3.28Å; R1318-R1323 WeakPolarHBondContact O-CG 3.39Å; R1318-R1323 PolarHBondContact O-N 3.39Å; D1319-R1323 VanDerWaalsContact OD1-CD 3.22Å; D1319-R1323 WeakPolarHBondContact OD1-CD 3.26Å; D1319-R1323 IonicContact OD1-CZ 3.95Å; D1319-R1323 IonicContact OD1-NE 2.63Å; D1319-R1323 PolarHBondContact OD1-NE 2.83Å; D1319-R1323 IonicContact OD1-NH1 2.65Å; D1319-R1323 PolarHBondContact OD1-NH1 3.26Å; D1319-R1323 IonicContact OD2-NH1 3.73Å; R1323-R1327 WeakPolarHBondContact O-CB 3.38Å; R1323-R1327 PolarHBondContact O-N 3.34Å; R1323-R1327 VanDerWaalsContact O-N 3.12Å |
| 1324 | P | 91.4 | Very high | 90.9 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.3 | -29.2 | 41.5 | 0 | 0 | 0 | 113.5 | D1319 V1320 F1321 I1326 R1327 E1328 | D1319-P1324 WeakPolarHBondContact O-CD 3.39Å; D1319-P1324 WeakPolarHBondContact O-CG 3.49Å; V1320-P1324 VanDerWaalsContact O-CG 3.26Å; V1320-P1324 WeakPolarHBondContact O-CG 3.42Å; F1321-P1324 WeakPolarHBondContact O-CD 3.27Å; P1324-I1326 VanDerWaalsContact C-N 3.32Å; P1324-I1326 PolarHBondContact O-N 2.86Å; P1324-R1327 WeakPolarHBondContact O-CB 3.35Å; P1324-R1327 PolarHBondContact O-N 3.09Å; P1324-E1328 WeakPolarHBondContact O-CG 3.5Å; P1324-E1328 PolarHBondContact O-N 2.87Å |
| 1325 | M | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -33.3 | -177.7 | -64.2 | 178.4 | 78.5 | 0 | 0 | 112.8 | F1321 K1329 S1330 L1331 F1403 A1406 H1407 | F1321-M1325 WeakPolarHBondContact O-CB 3.29Å; F1321-M1325 WeakPolarHBondContact O-CG 3.36Å; F1321-M1325 PolarHBondContact O-N 3.33Å; M1325-K1329 PolarHBondContact O-N 2.75Å; M1325-S1330 WeakPolarHBondContact CA-OG 3.29Å; M1325-S1330 PolarHBondContact O-N 3.34Å; M1325-S1330 PolarHBondContact O-OG 3.13Å; M1325-L1331 HydrophobicContact CB-CB 3.76Å; M1325-L1331 HydrophobicContact CB-CD2 4.26Å; M1325-L1331 PolarHBondContact O-N 3.19Å; M1325-L1331 VanDerWaalsContact O-N 3.11Å; M1325-F1403 HydrophobicContact CE-CD1 4.46Å; M1325-F1403 HydrophobicContact CE-CD2 3.56Å; M1325-F1403 HydrophobicContact CE-CE1 4.28Å; M1325-F1403 HydrophobicContact CE-CE2 3.35Å; M1325-F1403 HydrophobicContact CE-CG 4.12Å; M1325-F1403 HydrophobicContact CE-CZ 3.74Å; M1325-A1406 HydrophobicContact CE-CB 4.1Å; M1325-A1406 HydrophobicContact CG-CB 4.14Å; M1325-H1407 HydrophobicContact CE-CB 4.07Å |
| 1326 | I | 90.7 | Very high | 90 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 170.2 | -64.1 | 170.6 | 0 | 0 | 0 | 110.9 | Q1322 P1324 E1328 K1329 L1331 | Q1322-I1326 HydrophobicContact CG-CD1 3.94Å; Q1322-I1326 VanDerWaalsContact O-CG1 3.27Å; Q1322-I1326 WeakPolarHBondContact O-CG1 3.14Å; Q1322-I1326 PolarHBondContact O-N 3.04Å; Q1322-I1326 VanDerWaalsContact O-N 3.14Å; P1324-I1326 VanDerWaalsContact C-N 3.32Å; P1324-I1326 PolarHBondContact O-N 2.86Å; I1326-E1328 VanDerWaalsContact C-N 3.35Å; I1326-E1328 PolarHBondContact O-N 2.92Å; I1326-K1329 PolarHBondContact O-N 3.44Å; I1326-L1331 HydrophobicContact CG1-CB 4.43Å; I1326-L1331 HydrophobicContact CG1-CD2 3.89Å; I1326-L1331 HydrophobicContact CG1-CG 4.39Å |
| 1327 | R | 89.7 | Confident | 89.8 | Confident | 216 Ų | 216 | 65.2 Ų | 65.2 | 82% | 0.815 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.1 | -39.9 | -179.7 | -175 | -174.4 | -67.3 | 177.1 | -2.4 | 112.2 | R1323 P1324 K1329 | R1323-R1327 WeakPolarHBondContact O-CB 3.38Å; R1323-R1327 PolarHBondContact O-N 3.34Å; R1323-R1327 VanDerWaalsContact O-N 3.12Å; P1324-R1327 WeakPolarHBondContact O-CB 3.35Å; P1324-R1327 PolarHBondContact O-N 3.09Å; R1327-K1329 PolarHBondContact O-N 3.24Å |
| 1328 | E | 86.2 | Confident | 89.4 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -4.4 | 174.5 | -68.6 | -175.2 | 157.7 | 0 | 0 | 113.4 | P1324 I1326 S1330 A1406 R1409 | P1324-E1328 WeakPolarHBondContact O-CG 3.5Å; P1324-E1328 PolarHBondContact O-N 2.87Å; I1326-E1328 VanDerWaalsContact C-N 3.35Å; I1326-E1328 PolarHBondContact O-N 2.92Å; E1328-S1330 PolarHBondContact O-N 2.82Å; E1328-A1406 WeakPolarHBondContact OE2-CB 3.42Å; E1328-R1409 IonicContact OE1-CZ 3.36Å; E1328-R1409 IonicContact OE1-NE 2.72Å; E1328-R1409 PolarHBondContact OE1-NE 2.88Å; E1328-R1409 IonicContact OE1-NH2 2.59Å; E1328-R1409 PolarHBondContact OE1-NH2 2.93Å; E1328-R1409 IonicContact OE2-CZ 2.66Å; E1328-R1409 IonicContact OE2-NE 3.12Å; E1328-R1409 IonicContact OE2-NH2 3.92Å; E1328-R1409 PolarHBondContact OE2-NH2 3.47Å |
| 1329 | K | 85.2 | Confident | 89.2 | Confident | 193 Ų | 193 | 65 Ų | 65 | 84% | 0.839 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 17.3 | -174 | -51.5 | 176.6 | -176.9 | 174.1 | 0 | 114.5 | M1325 I1326 R1327 L1331 | M1325-K1329 PolarHBondContact O-N 2.75Å; I1326-K1329 PolarHBondContact O-N 3.44Å; R1327-K1329 PolarHBondContact O-N 3.24Å; K1329-L1331 VanDerWaalsContact C-N 3.35Å |
| 1330 | S | 82.5 | Confident | 89.2 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -78.3 | -24.3 | 175 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | M1325 E1328 A1406 | M1325-S1330 WeakPolarHBondContact CA-OG 3.29Å; M1325-S1330 PolarHBondContact O-N 3.34Å; M1325-S1330 PolarHBondContact O-OG 3.13Å; E1328-S1330 PolarHBondContact O-N 2.82Å; S1330-A1406 VanDerWaalsContact OG-CB 3.24Å; S1330-A1406 WeakPolarHBondContact OG-CB 3.38Å |
| 1331 | L | 84.6 | Confident | 89.1 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -117.4 | 116.3 | 173.7 | -174 | 77.6 | 0 | 0 | 0 | 109.2 | M1325 I1326 K1329 D1335 I1339 F1340 F1403 | M1325-L1331 HydrophobicContact CB-CB 3.76Å; M1325-L1331 HydrophobicContact CB-CD2 4.26Å; M1325-L1331 PolarHBondContact O-N 3.19Å; M1325-L1331 VanDerWaalsContact O-N 3.11Å; I1326-L1331 HydrophobicContact CG1-CB 4.43Å; I1326-L1331 HydrophobicContact CG1-CD2 3.89Å; I1326-L1331 HydrophobicContact CG1-CG 4.39Å; K1329-L1331 VanDerWaalsContact C-N 3.35Å; L1331-D1335 HydrophobicContact CD1-CB 3.4Å; L1331-D1335 VanDerWaalsContact CD1-CB 3.4Å; L1331-D1335 HydrophobicContact CG-CB 4Å; L1331-I1339 HydrophobicContact CD1-CD1 3.9Å; L1331-F1340 HydrophobicContact CD2-CD2 4.28Å; L1331-F1340 HydrophobicContact CD2-CE2 3.73Å; L1331-F1403 HydrophobicContact CD1-CD2 4.48Å; L1331-F1403 HydrophobicContact CD1-CE2 3.74Å |
| 1332 | S | 86 | Confident | 89 | Confident | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | trans | -69 | 165.3 | 170.1 | 96.8 | 0 | 0 | 0 | 0 | 110.9 | Q1334 D1335 S1336 | S1332-Q1334 VanDerWaalsContact C-N 3.31Å; S1332-Q1334 PolarHBondContact O-N 2.98Å; S1332-Q1334 PolarHBondContact OG-N 2.82Å; S1332-D1335 VanDerWaalsContact CB-CG 3.44Å; S1332-D1335 VanDerWaalsContact CB-OD2 3.3Å; S1332-D1335 WeakPolarHBondContact CB-OD2 3.38Å; S1332-D1335 PolarHBondContact N-OD2 3.18Å; S1332-D1335 WeakPolarHBondContact O-CB 3.39Å; S1332-D1335 PolarHBondContact O-N 2.97Å; S1332-D1335 PolarHBondContact OG-N 3.36Å; S1332-D1335 PolarHBondContact OG-OD1 2.83Å; S1332-D1335 PolarHBondContact OG-OD2 2.94Å; S1332-S1336 WeakPolarHBondContact O-CB 3.12Å; S1332-S1336 PolarHBondContact O-N 3.49Å | ||
| 1333 | R | 83.7 | Confident | 89.1 | Confident | 201 Ų | 201 | 64 Ų | 64 | 76% | 0.758 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 174.1 | -174.8 | 172.9 | 177.4 | 176.4 | -0.7 | 111.6 | D1335 S1336 D1337 | R1333-D1335 VanDerWaalsContact C-N 3.31Å; R1333-D1335 PolarHBondContact O-N 2.73Å; R1333-S1336 WeakPolarHBondContact O-CB 3.48Å; R1333-S1336 PolarHBondContact O-N 3.38Å; R1333-D1337 IonicContact NE-OD2 2.62Å; R1333-D1337 PolarHBondContact O-N 3.45Å |
| 1334 | Q | 82.2 | Confident | 89.2 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 175.6 | -175.1 | 175.3 | 6.1 | 0 | 0 | 111.9 | S1332 A1338 | S1332-Q1334 VanDerWaalsContact C-N 3.31Å; S1332-Q1334 PolarHBondContact O-N 2.98Å; S1332-Q1334 PolarHBondContact OG-N 2.82Å; Q1334-A1338 WeakPolarHBondContact O-CB 3.28Å; Q1334-A1338 PolarHBondContact O-N 2.78Å |
| 1335 | D | 85 | Confident | 89.4 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -41 | 175.7 | -46.4 | -13.8 | 0 | 0 | 0 | 110.7 | L1331 S1332 R1333 A1338 I1339 Y1392 R1396 | L1331-D1335 HydrophobicContact CD1-CB 3.4Å; L1331-D1335 VanDerWaalsContact CD1-CB 3.4Å; L1331-D1335 HydrophobicContact CG-CB 4Å; S1332-D1335 VanDerWaalsContact CB-CG 3.44Å; S1332-D1335 VanDerWaalsContact CB-OD2 3.3Å; S1332-D1335 WeakPolarHBondContact CB-OD2 3.38Å; S1332-D1335 PolarHBondContact N-OD2 3.18Å; S1332-D1335 WeakPolarHBondContact O-CB 3.39Å; S1332-D1335 PolarHBondContact O-N 2.97Å; S1332-D1335 PolarHBondContact OG-N 3.36Å; S1332-D1335 PolarHBondContact OG-OD1 2.83Å; S1332-D1335 PolarHBondContact OG-OD2 2.94Å; R1333-D1335 VanDerWaalsContact C-N 3.31Å; R1333-D1335 PolarHBondContact O-N 2.73Å; D1335-A1338 PolarHBondContact O-N 2.83Å; D1335-I1339 WeakPolarHBondContact O-CB 3.37Å; D1335-I1339 WeakPolarHBondContact O-CG1 3.3Å; D1335-I1339 PolarHBondContact O-N 3.03Å; D1335-Y1392 HydrophobicContact CB-CE1 4.32Å; D1335-R1396 IonicContact OD1-CZ 2.66Å; D1335-R1396 IonicContact OD1-NH1 3.34Å; D1335-R1396 PolarHBondContact OD1-NH1 3.21Å; D1335-R1396 IonicContact OD2-CZ 1.91Å; D1335-R1396 IonicContact OD2-NH1 2.77Å; D1335-R1396 PolarHBondContact OD2-NH1 3.01Å; D1335-R1396 IonicContact OD2-NH2 2.66Å; D1335-R1396 PolarHBondContact OD2-NH2 2.9Å |
| 1336 | S | 90.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 175.5 | 160.8 | 0 | 0 | 0 | 0 | 110.8 | Q1322 S1332 R1333 A1338 I1339 F1340 | Q1322-S1336 PolarHBondContact NE2-OG 2.74Å; S1332-S1336 WeakPolarHBondContact O-CB 3.12Å; S1332-S1336 PolarHBondContact O-N 3.49Å; R1333-S1336 WeakPolarHBondContact O-CB 3.48Å; R1333-S1336 PolarHBondContact O-N 3.38Å; S1336-A1338 PolarHBondContact O-N 2.71Å; S1336-I1339 PolarHBondContact O-N 2.86Å; S1336-F1340 WeakPolarHBondContact O-CB 3.32Å; S1336-F1340 WeakPolarHBondContact O-CD2 3.24Å; S1336-F1340 PolarHBondContact O-N 3.31Å |
| 1337 | D | 89.7 | Confident | 89.8 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69 | -26 | -176.3 | -58.4 | -14.9 | 0 | 0 | 0 | 110.7 | R1333 V1341 | R1333-D1337 IonicContact NE-OD2 2.62Å; R1333-D1337 PolarHBondContact O-N 3.45Å; D1337-V1341 VanDerWaalsContact O-CA 3.3Å; D1337-V1341 WeakPolarHBondContact O-CA 3.34Å; D1337-V1341 PolarHBondContact O-N 2.96Å |
| 1338 | A | 88.3 | Confident | 90.1 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.4 | -39.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1334 D1335 S1336 A1389 Y1392 | Q1334-A1338 WeakPolarHBondContact O-CB 3.28Å; Q1334-A1338 PolarHBondContact O-N 2.78Å; D1335-A1338 PolarHBondContact O-N 2.83Å; S1336-A1338 PolarHBondContact O-N 2.71Å; A1338-A1389 WeakPolarHBondContact O-CB 3.35Å; A1338-Y1392 HydrophobicContact CB-CD1 4.2Å; A1338-Y1392 HydrophobicContact CB-CE1 4.36Å |
| 1339 | I | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -85.3 | -37.9 | -176.6 | -67.1 | 176.7 | 0 | 0 | 0 | 112.2 | L1331 D1335 S1336 Y1392 L1393 F1403 L1421 L1425 | L1331-I1339 HydrophobicContact CD1-CD1 3.9Å; D1335-I1339 WeakPolarHBondContact O-CB 3.37Å; D1335-I1339 WeakPolarHBondContact O-CG1 3.3Å; D1335-I1339 PolarHBondContact O-N 3.03Å; S1336-I1339 PolarHBondContact O-N 2.86Å; I1339-Y1392 HydrophobicContact CD1-CD1 4.02Å; I1339-Y1392 HydrophobicContact CD1-CE1 4.37Å; I1339-Y1392 HydrophobicContact CG1-CD1 3.73Å; I1339-Y1392 HydrophobicContact CG1-CE1 4.37Å; I1339-L1393 HydrophobicContact CD1-CB 4.44Å; I1339-L1393 HydrophobicContact CD1-CD1 4.27Å; I1339-F1403 HydrophobicContact CD1-CE2 4.01Å; I1339-F1403 HydrophobicContact CD1-CZ 3.77Å; I1339-L1421 HydrophobicContact CG2-CD2 4.15Å; I1339-L1425 HydrophobicContact CG2-CD1 4.01Å |
| 1340 | F | 94.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -100.6 | -11.2 | -175.3 | -65.3 | -80.8 | 0 | 0 | 0 | 113.4 | V1317 F1321 Q1322 L1331 S1336 N1342 W1343 L1421 L1425 | V1317-F1340 HydrophobicContact CG1-CD1 4.21Å; V1317-F1340 HydrophobicContact CG1-CE1 3.61Å; F1321-F1340 HydrophobicContact CB-CZ 4.28Å; Q1322-F1340 HydrophobicContact CB-CD1 4.37Å; Q1322-F1340 HydrophobicContact CB-CD2 4.22Å; Q1322-F1340 HydrophobicContact CB-CE1 4.02Å; Q1322-F1340 HydrophobicContact CB-CE2 3.88Å; Q1322-F1340 HydrophobicContact CB-CG 4.46Å; Q1322-F1340 HydrophobicContact CB-CZ 3.76Å; Q1322-F1340 HydrophobicContact CG-CD2 3.75Å; Q1322-F1340 HydrophobicContact CG-CE2 3.81Å; Q1322-F1340 HydrophobicContact CG-CG 4.13Å; Q1322-F1340 HydrophobicContact CG-CZ 4.21Å; L1331-F1340 HydrophobicContact CD2-CD2 4.28Å; L1331-F1340 HydrophobicContact CD2-CE2 3.73Å; S1336-F1340 WeakPolarHBondContact O-CB 3.32Å; S1336-F1340 WeakPolarHBondContact O-CD2 3.24Å; S1336-F1340 PolarHBondContact O-N 3.31Å; F1340-N1342 PolarHBondContact O-N 3.3Å; F1340-W1343 HydrophobicContact CB-CB 4.05Å; F1340-W1343 HydrophobicContact CD1-CD2 4.42Å; F1340-W1343 HydrophobicContact CD1-CG 4.4Å; F1340-W1343 WeakPolarHBondContact O-CB 3.39Å; F1340-W1343 PolarHBondContact O-N 3.1Å; F1340-L1421 HydrophobicContact CE1-CD1 3.88Å; F1340-L1421 HydrophobicContact CE1-CD2 4.34Å; F1340-L1421 HydrophobicContact CZ-CD1 4.11Å; F1340-L1421 HydrophobicContact CZ-CD2 3.8Å; F1340-L1425 HydrophobicContact CD1-CD2 4.35Å |
| 1341 | V | 92.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -97.4 | 176.2 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | D1337 F1382 H1385 A1389 | D1337-V1341 VanDerWaalsContact O-CA 3.3Å; D1337-V1341 WeakPolarHBondContact O-CA 3.34Å; D1337-V1341 PolarHBondContact O-N 2.96Å; V1341-F1382 HydrophobicContact CB-CD2 4.14Å; V1341-F1382 HydrophobicContact CG2-CD2 4.48Å; V1341-H1385 HydrophobicContact CG1-CB 4.12Å; V1341-H1385 HydrophobicContact CG2-CB 3.96Å; V1341-A1389 HydrophobicContact CG2-CB 4.22Å |
| 1342 | N | 94.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 31.9 | -178.6 | 66.9 | -24.5 | 0 | 0 | 0 | 112.8 | F1340 S1344 S1345 L1346 A1378 F1382 | F1340-N1342 PolarHBondContact O-N 3.3Å; N1342-S1344 PolarHBondContact O-N 3.44Å; N1342-S1345 WeakPolarHBondContact O-CA 3.37Å; N1342-S1345 WeakPolarHBondContact O-CB 3.48Å; N1342-S1345 PolarHBondContact O-N 2.85Å; N1342-L1346 PolarHBondContact O-N 2.96Å; N1342-A1378 PolarHBondContact ND2-O 3.14Å; N1342-F1382 WeakPolarHBondContact OD1-CB 3.29Å |
| 1343 | W | 96 | Very high | 92.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -48 | -38.4 | -175.7 | -157.9 | -96.7 | 0 | 0 | 0 | 115.1 | L1314 V1317 F1340 S1345 L1346 I1347 F1382 L1425 P1428 | L1314-W1343 HydrophobicContact CB-CZ2 4.44Å; L1314-W1343 HydrophobicContact CD2-CH2 3.81Å; L1314-W1343 HydrophobicContact CD2-CZ2 3.42Å; L1314-W1343 VanDerWaalsContact CD2-CZ2 3.42Å; L1314-W1343 PolarHBondContact O-NE1 2.94Å; V1317-W1343 HydrophobicContact CB-CZ2 3.55Å; V1317-W1343 HydrophobicContact CG1-CD2 4.42Å; V1317-W1343 HydrophobicContact CG1-CH2 4.22Å; V1317-W1343 HydrophobicContact CG1-CZ2 3.53Å; V1317-W1343 HydrophobicContact CG2-CH2 4.43Å; V1317-W1343 HydrophobicContact CG2-CZ2 3.75Å; F1340-W1343 HydrophobicContact CB-CB 4.05Å; F1340-W1343 HydrophobicContact CD1-CD2 4.42Å; F1340-W1343 HydrophobicContact CD1-CG 4.4Å; F1340-W1343 WeakPolarHBondContact O-CB 3.39Å; F1340-W1343 PolarHBondContact O-N 3.1Å; W1343-S1345 VanDerWaalsContact C-N 3.3Å; W1343-S1345 PolarHBondContact O-N 2.83Å; W1343-L1346 HydrophobicContact CE3-CD1 4.14Å; W1343-L1346 PolarHBondContact O-N 3.1Å; W1343-I1347 WeakPolarHBondContact O-CG1 3.12Å; W1343-I1347 PolarHBondContact O-N 3.4Å; W1343-F1382 AromaticContact CE3-CE2 3.8Å; W1343-F1382 HydrophobicContact CE3-CE2 3.8Å; W1343-F1382 HydrophobicContact CE3-CZ 4.17Å; W1343-F1382 AromaticContact CZ3-CE2 3.89Å; W1343-F1382 HydrophobicContact CZ3-CE2 3.89Å; W1343-F1382 AromaticContact CZ3-CZ 3.76Å; W1343-F1382 HydrophobicContact CZ3-CZ 3.76Å; W1343-L1425 HydrophobicContact CE3-CD2 4.21Å; W1343-L1425 HydrophobicContact CH2-CD2 4.46Å; W1343-L1425 HydrophobicContact CZ3-CD2 3.8Å; W1343-P1428 HydrophobicContact CH2-CG 3.82Å; W1343-P1428 HydrophobicContact CZ3-CG 3.65Å |
| 1344 | S | 94.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 39.1 Ų | 39.1 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -60.7 | -36.9 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 113 | N1342 K1348 | N1342-S1344 PolarHBondContact O-N 3.44Å; S1344-K1348 WeakPolarHBondContact O-CB 3.05Å; S1344-K1348 PolarHBondContact O-N 2.95Å; S1344-K1348 VanDerWaalsContact O-N 3.1Å |
| 1345 | S | 95.7 | Very high | 93.8 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.2 | -37.9 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | N1342 W1343 I1347 K1348 V1349 | N1342-S1345 WeakPolarHBondContact O-CA 3.37Å; N1342-S1345 WeakPolarHBondContact O-CB 3.48Å; N1342-S1345 PolarHBondContact O-N 2.85Å; W1343-S1345 VanDerWaalsContact C-N 3.3Å; W1343-S1345 PolarHBondContact O-N 2.83Å; S1345-I1347 PolarHBondContact O-N 3.46Å; S1345-K1348 WeakPolarHBondContact O-CB 3.5Å; S1345-K1348 PolarHBondContact O-N 3.48Å; S1345-V1349 WeakPolarHBondContact O-CG2 3.07Å; S1345-V1349 PolarHBondContact O-N 3.03Å |
| 1346 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 172.9 | -61.9 | 175.7 | 0 | 0 | 0 | 111.5 | L1314 N1342 W1343 K1348 S1350 A1378 F1379 F1382 P1428 | L1314-L1346 HydrophobicContact CD1-CB 4.19Å; N1342-L1346 PolarHBondContact O-N 2.96Å; W1343-L1346 HydrophobicContact CE3-CD1 4.14Å; W1343-L1346 PolarHBondContact O-N 3.1Å; L1346-K1348 VanDerWaalsContact C-N 3.32Å; L1346-K1348 PolarHBondContact O-N 2.85Å; L1346-S1350 VanDerWaalsContact O-CB 3.29Å; L1346-S1350 WeakPolarHBondContact O-CB 3.38Å; L1346-S1350 PolarHBondContact O-N 3.42Å; L1346-S1350 PolarHBondContact O-OG 3.31Å; L1346-A1378 HydrophobicContact CD2-CB 4.08Å; L1346-F1379 HydrophobicContact CD2-CD1 3.98Å; L1346-F1379 HydrophobicContact CD2-CD2 4.48Å; L1346-F1379 HydrophobicContact CD2-CE1 4.28Å; L1346-F1379 HydrophobicContact CD2-CG 4.1Å; L1346-F1382 HydrophobicContact CD1-CB 4.12Å; L1346-F1382 HydrophobicContact CD1-CD1 4.33Å; L1346-F1382 HydrophobicContact CD1-CD2 3.73Å; L1346-F1382 HydrophobicContact CD1-CE2 4.26Å; L1346-F1382 HydrophobicContact CD1-CG 3.79Å; L1346-F1382 HydrophobicContact CD2-CB 4.35Å; L1346-P1428 HydrophobicContact CD1-CB 3.89Å; L1346-P1428 HydrophobicContact CD1-CG 3.85Å |
| 1347 | I | 96.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 174.7 | -68.3 | 165.9 | 0 | 0 | 0 | 111 | L1314 I1315 R1318 W1343 S1345 R1351 | L1314-I1347 HydrophobicContact CB-CD1 4.38Å; L1314-I1347 HydrophobicContact CB-CG1 3.57Å; L1314-I1347 HydrophobicContact CD1-CG1 4.15Å; L1314-I1347 HydrophobicContact CG-CG1 4.5Å; I1315-I1347 HydrophobicContact CG1-CG2 4.29Å; R1318-I1347 HydrophobicContact CB-CD1 4.03Å; R1318-I1347 HydrophobicContact CG-CD1 4.42Å; W1343-I1347 WeakPolarHBondContact O-CG1 3.12Å; W1343-I1347 PolarHBondContact O-N 3.4Å; S1345-I1347 PolarHBondContact O-N 3.46Å; I1347-R1351 WeakPolarHBondContact O-CB 3.24Å; I1347-R1351 VanDerWaalsContact O-CG 3.24Å; I1347-R1351 WeakPolarHBondContact O-CG 3.49Å; I1347-R1351 PolarHBondContact O-N 3.23Å; I1347-R1351 VanDerWaalsContact O-N 3.16Å |
| 1348 | K | 96 | Very high | 94.5 | Very high | 129 Ų | 129 | 39.2 Ų | 39.2 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.2 | -54.2 | -179 | -170.8 | -154.1 | 170 | -169.4 | 0 | 111.3 | S1344 S1345 L1346 R1351 Q1352 | S1344-K1348 WeakPolarHBondContact O-CB 3.05Å; S1344-K1348 PolarHBondContact O-N 2.95Å; S1344-K1348 VanDerWaalsContact O-N 3.1Å; S1345-K1348 WeakPolarHBondContact O-CB 3.5Å; S1345-K1348 PolarHBondContact O-N 3.48Å; L1346-K1348 VanDerWaalsContact C-N 3.32Å; L1346-K1348 PolarHBondContact O-N 2.85Å; K1348-R1351 PolarHBondContact O-N 2.86Å; K1348-Q1352 WeakPolarHBondContact O-CG 3.49Å; K1348-Q1352 PolarHBondContact O-N 2.87Å; K1348-Q1352 PolarHBondContact O-OE1 3.47Å |
| 1349 | V | 96.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | -177 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | S1345 R1351 Q1352 F1353 M1372 Q1375 F1376 A1378 F1379 | S1345-V1349 WeakPolarHBondContact O-CG2 3.07Å; S1345-V1349 PolarHBondContact O-N 3.03Å; V1349-R1351 PolarHBondContact O-N 2.84Å; V1349-Q1352 PolarHBondContact O-N 2.63Å; V1349-F1353 PolarHBondContact O-N 3.1Å; V1349-M1372 HydrophobicContact CG1-CE 3.91Å; V1349-M1372 WeakPolarHBondContact O-CE 3.44Å; V1349-Q1375 HydrophobicContact CG1-CB 4.13Å; V1349-Q1375 HydrophobicContact CG2-CB 4.1Å; V1349-F1376 HydrophobicContact CG1-CD1 3.65Å; V1349-F1376 HydrophobicContact CG1-CE1 3.77Å; V1349-A1378 HydrophobicContact CG2-CB 4.16Å; V1349-F1379 HydrophobicContact CG1-CE2 4.43Å |
| 1350 | S | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | -179.2 | -45.9 | 0 | 0 | 0 | 0 | 111.7 | Y1310 L1346 F1353 I1354 | Y1310-S1350 WeakPolarHBondContact CE1-OG 3.49Å; L1346-S1350 VanDerWaalsContact O-CB 3.29Å; L1346-S1350 WeakPolarHBondContact O-CB 3.38Å; L1346-S1350 PolarHBondContact O-N 3.42Å; L1346-S1350 PolarHBondContact O-OG 3.31Å; S1350-F1353 PolarHBondContact O-N 3.18Å; S1350-I1354 PolarHBondContact O-N 3.04Å; S1350-I1354 VanDerWaalsContact O-N 3.09Å |
| 1351 | R | 96.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 46.3 Ų | 46.3 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 170.4 | -78 | 174.6 | 164.3 | -148.4 | -9.6 | 113 | V1311 I1347 K1348 V1349 F1353 I1354 N1355 | V1311-R1351 HydrophobicContact CG1-CG 3.65Å; V1311-R1351 HydrophobicContact CG2-CG 4.49Å; I1347-R1351 WeakPolarHBondContact O-CB 3.24Å; I1347-R1351 VanDerWaalsContact O-CG 3.24Å; I1347-R1351 WeakPolarHBondContact O-CG 3.49Å; I1347-R1351 PolarHBondContact O-N 3.23Å; I1347-R1351 VanDerWaalsContact O-N 3.16Å; K1348-R1351 PolarHBondContact O-N 2.86Å; V1349-R1351 PolarHBondContact O-N 2.84Å; R1351-F1353 VanDerWaalsContact C-N 3.26Å; R1351-F1353 PolarHBondContact O-N 3.07Å; R1351-I1354 PolarHBondContact O-N 2.89Å; R1351-N1355 PolarHBondContact O-N 3.13Å; R1351-N1355 VanDerWaalsContact O-N 3.1Å; R1351-N1355 PolarHBondContact O-OD1 2.79Å |
| 1352 | Q | 95.2 | Very high | 94.1 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -36.8 | 175.4 | -73.4 | 172.4 | -99.8 | 0 | 0 | 111.3 | K1348 V1349 N1355 Q1356 M1372 | K1348-Q1352 WeakPolarHBondContact O-CG 3.49Å; K1348-Q1352 PolarHBondContact O-N 2.87Å; K1348-Q1352 PolarHBondContact O-OE1 3.47Å; V1349-Q1352 PolarHBondContact O-N 2.63Å; Q1352-N1355 PolarHBondContact O-N 3.41Å; Q1352-Q1356 WeakPolarHBondContact O-CG 3.35Å; Q1352-Q1356 PolarHBondContact O-N 2.78Å; Q1352-M1372 HydrophobicContact CB-CE 3.61Å; Q1352-M1372 HydrophobicContact CB-SD 4.01Å |
| 1353 | F | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 175.6 | -179.9 | -131.9 | 0 | 0 | 0 | 112.8 | L1303 E1307 V1349 S1350 R1351 N1355 Q1356 L1357 M1369 M1372 F1376 Y1435 | L1303-F1353 HydrophobicContact CD1-CE1 4.45Å; E1307-F1353 HydrophobicContact CG-CD1 4.07Å; E1307-F1353 HydrophobicContact CG-CE1 4.46Å; V1349-F1353 PolarHBondContact O-N 3.1Å; S1350-F1353 PolarHBondContact O-N 3.18Å; R1351-F1353 VanDerWaalsContact C-N 3.26Å; R1351-F1353 PolarHBondContact O-N 3.07Å; F1353-N1355 VanDerWaalsContact C-N 3.31Å; F1353-N1355 PolarHBondContact O-N 3.4Å; F1353-Q1356 PolarHBondContact O-N 3.32Å; F1353-L1357 HydrophobicContact CD1-CD1 4.26Å; F1353-L1357 HydrophobicContact CD2-CD1 4.33Å; F1353-L1357 HydrophobicContact CD2-CG 4.05Å; F1353-L1357 HydrophobicContact CE1-CD1 3.83Å; F1353-L1357 HydrophobicContact CE2-CD1 3.91Å; F1353-L1357 HydrophobicContact CE2-CD2 3.76Å; F1353-L1357 HydrophobicContact CE2-CG 3.68Å; F1353-L1357 HydrophobicContact CG-CD1 4.49Å; F1353-L1357 HydrophobicContact CZ-CD1 3.62Å; F1353-L1357 HydrophobicContact CZ-CD2 3.96Å; F1353-L1357 HydrophobicContact CZ-CG 3.91Å; F1353-L1357 WeakPolarHBondContact O-CG 3.49Å; F1353-L1357 PolarHBondContact O-N 2.57Å; F1353-M1369 HydrophobicContact CE1-CE 3.93Å; F1353-M1369 HydrophobicContact CE2-CE 3.77Å; F1353-M1369 HydrophobicContact CE2-SD 4.24Å; F1353-M1369 HydrophobicContact CZ-CE 3.28Å; F1353-M1369 HydrophobicContact CZ-SD 4.3Å; F1353-M1372 HydrophobicContact CB-CE 4.37Å; F1353-M1372 HydrophobicContact CB-CG 4.17Å; F1353-M1372 HydrophobicContact CD2-CB 4.23Å; F1353-M1372 HydrophobicContact CD2-CG 3.98Å; F1353-F1376 HydrophobicContact CD1-CZ 4.47Å; F1353-F1376 HydrophobicContact CG-CZ 4.45Å; F1353-Y1435 HydrophobicContact CD1-CE1 4.42Å; F1353-Y1435 HydrophobicContact CE1-CD1 4.41Å; F1353-Y1435 AromaticContact CE1-CE1 3.81Å; F1353-Y1435 HydrophobicContact CE1-CE1 3.81Å |
| 1354 | I | 94.4 | Very high | 93.6 | Very high | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.138 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 171 | -66.8 | 177.7 | 0 | 0 | 0 | 111.2 | E1307 V1311 S1350 R1351 L1357 N1358 | E1307-I1354 HydrophobicContact CB-CD1 4.3Å; E1307-I1354 HydrophobicContact CB-CG1 3.95Å; E1307-I1354 HydrophobicContact CG-CD1 3.92Å; E1307-I1354 HydrophobicContact CG-CG1 3.39Å; V1311-I1354 HydrophobicContact CB-CD1 3.96Å; V1311-I1354 HydrophobicContact CG1-CD1 4.41Å; V1311-I1354 HydrophobicContact CG2-CD1 3.63Å; V1311-I1354 HydrophobicContact CG2-CG1 4.48Å; S1350-I1354 PolarHBondContact O-N 3.04Å; S1350-I1354 VanDerWaalsContact O-N 3.09Å; R1351-I1354 PolarHBondContact O-N 2.89Å; I1354-L1357 PolarHBondContact O-N 2.7Å; I1354-N1358 WeakPolarHBondContact CG2-ND2 3.05Å; I1354-N1358 PolarHBondContact O-N 3.18Å; I1354-N1358 PolarHBondContact O-ND2 2.67Å; I1354-N1358 VanDerWaalsContact O-ND2 3.12Å |
| 1355 | N | 94.2 | Very high | 93.6 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -47.1 | 178.4 | -69.3 | 4.3 | 0 | 0 | 0 | 111.2 | R1351 Q1352 F1353 L1357 N1358 E1359 | R1351-N1355 PolarHBondContact O-N 3.13Å; R1351-N1355 VanDerWaalsContact O-N 3.1Å; R1351-N1355 PolarHBondContact O-OD1 2.79Å; Q1352-N1355 PolarHBondContact O-N 3.41Å; F1353-N1355 VanDerWaalsContact C-N 3.31Å; F1353-N1355 PolarHBondContact O-N 3.4Å; N1355-L1357 PolarHBondContact O-N 3.23Å; N1355-N1358 PolarHBondContact O-N 2.9Å; N1355-N1358 VanDerWaalsContact O-N 3.16Å; N1355-E1359 WeakPolarHBondContact O-CB 3.47Å; N1355-E1359 WeakPolarHBondContact O-CG 3.36Å; N1355-E1359 PolarHBondContact O-N 3.48Å |
| 1356 | Q | 94 | Very high | 93.5 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -34.6 | 178.8 | -70 | -62.2 | -71.1 | 0 | 0 | 113.7 | Q1352 F1353 E1359 C1360 A1368 Y1371 M1372 | Q1352-Q1356 WeakPolarHBondContact O-CG 3.35Å; Q1352-Q1356 PolarHBondContact O-N 2.78Å; F1353-Q1356 PolarHBondContact O-N 3.32Å; Q1356-E1359 PolarHBondContact NE2-OE1 3Å; Q1356-E1359 VanDerWaalsContact NE2-OE1 3.14Å; Q1356-E1359 PolarHBondContact NE2-OE2 3.16Å; Q1356-C1360 VanDerWaalsContact O-CB 3.3Å; Q1356-C1360 WeakPolarHBondContact O-CB 3.36Å; Q1356-C1360 PolarHBondContact O-N 2.77Å; Q1356-C1360 PolarHBondContact O-SG 2.98Å; Q1356-A1368 HydrophobicContact CB-CB 4.16Å; Q1356-Y1371 HydrophobicContact CG-CD1 3.94Å; Q1356-Y1371 HydrophobicContact CG-CE1 4.13Å; Q1356-M1372 HydrophobicContact CB-CG 4.33Å; Q1356-M1372 HydrophobicContact CG-CG 4.22Å; Q1356-M1372 HydrophobicContact CG-SD 4.02Å |
| 1357 | L | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 171.5 | -72.1 | 174.7 | 0 | 0 | 0 | 112 | F1300 L1303 L1304 F1353 I1354 N1355 G1361 V1365 A1368 | F1300-L1357 HydrophobicContact CE2-CB 4.44Å; L1303-L1357 HydrophobicContact CD2-CD1 4.04Å; L1303-L1357 HydrophobicContact CD2-CD2 3.94Å; L1303-L1357 HydrophobicContact CG-CD1 4.01Å; L1304-L1357 HydrophobicContact CD2-CB 3.64Å; L1304-L1357 HydrophobicContact CD2-CD1 4.03Å; F1353-L1357 HydrophobicContact CD1-CD1 4.26Å; F1353-L1357 HydrophobicContact CD2-CD1 4.33Å; F1353-L1357 HydrophobicContact CD2-CG 4.05Å; F1353-L1357 HydrophobicContact CE1-CD1 3.83Å; F1353-L1357 HydrophobicContact CE2-CD1 3.91Å; F1353-L1357 HydrophobicContact CE2-CD2 3.76Å; F1353-L1357 HydrophobicContact CE2-CG 3.68Å; F1353-L1357 HydrophobicContact CG-CD1 4.49Å; F1353-L1357 HydrophobicContact CZ-CD1 3.62Å; F1353-L1357 HydrophobicContact CZ-CD2 3.96Å; F1353-L1357 HydrophobicContact CZ-CG 3.91Å; F1353-L1357 WeakPolarHBondContact O-CG 3.49Å; F1353-L1357 PolarHBondContact O-N 2.57Å; I1354-L1357 PolarHBondContact O-N 2.7Å; N1355-L1357 PolarHBondContact O-N 3.23Å; L1357-G1361 PolarHBondContact O-N 2.77Å; L1357-V1365 HydrophobicContact CD2-CB 4.41Å; L1357-V1365 HydrophobicContact CD2-CG1 3.93Å; L1357-V1365 HydrophobicContact CD2-CG2 4.31Å; L1357-A1368 HydrophobicContact CD2-CB 4.18Å |
| 1358 | N | 92.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.3 | -35 | 176.6 | -73.4 | -40.8 | 0 | 0 | 0 | 112.7 | I1354 N1355 | I1354-N1358 WeakPolarHBondContact CG2-ND2 3.05Å; I1354-N1358 PolarHBondContact O-N 3.18Å; I1354-N1358 PolarHBondContact O-ND2 2.67Å; I1354-N1358 VanDerWaalsContact O-ND2 3.12Å; N1355-N1358 PolarHBondContact O-N 2.9Å; N1355-N1358 VanDerWaalsContact O-N 3.16Å |
| 1359 | E | 91.4 | Very high | 93.4 | Very high | 134 Ų | 134 | 42.4 Ų | 42.4 | 63% | 0.626 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -70.9 | -35.1 | 175.7 | -73.9 | 168.6 | -131.2 | 0 | 0 | 112.6 | N1355 Q1356 | N1355-E1359 WeakPolarHBondContact O-CB 3.47Å; N1355-E1359 WeakPolarHBondContact O-CG 3.36Å; N1355-E1359 PolarHBondContact O-N 3.48Å; Q1356-E1359 PolarHBondContact NE2-OE1 3Å; Q1356-E1359 VanDerWaalsContact NE2-OE1 3.14Å; Q1356-E1359 PolarHBondContact NE2-OE2 3.16Å |
| 1360 | C | 88.9 | Confident | 93.3 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -89 | -28.5 | -179.2 | -66.3 | 0 | 0 | 0 | 0 | 114.1 | Q1356 G1364 A1368 | Q1356-C1360 VanDerWaalsContact O-CB 3.3Å; Q1356-C1360 WeakPolarHBondContact O-CB 3.36Å; Q1356-C1360 PolarHBondContact O-N 2.77Å; Q1356-C1360 PolarHBondContact O-SG 2.98Å; C1360-G1364 WeakPolarHBondContact CB-O 3.26Å; C1360-A1368 HydrophobicContact CB-CB 4.24Å |
| 1361 | G | 89 | Confident | 93.3 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 25% | 0.252 | C | S | . | . | trans | 67.8 | -172.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1300 L1357 D1363 G1364 | F1300-G1361 VanDerWaalsContact CZ-C 3.42Å; L1357-G1361 PolarHBondContact O-N 2.77Å; G1361-D1363 PolarHBondContact O-N 3.32Å; G1361-G1364 PolarHBondContact O-N 3.29Å | ||
| 1362 | D | 89.7 | Confident | 93.2 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -54.2 | -39.2 | 177.9 | -172.8 | 44.6 | 0 | 0 | 0 | 111 | R1296 F1300 G1364 | R1296-D1362 IonicContact CZ-OD1 2.73Å; R1296-D1362 IonicContact CZ-OD2 3.87Å; R1296-D1362 PolarHBondContact NH1-O 3.36Å; R1296-D1362 VanDerWaalsContact NH1-O 3.15Å; R1296-D1362 IonicContact NH1-OD1 2.63Å; R1296-D1362 IonicContact NH1-OD2 3.67Å; R1296-D1362 PolarHBondContact NH1-OD2 2.9Å; R1296-D1362 PolarHBondContact NH2-O 3.47Å; F1300-D1362 HydrophobicContact CB-CB 4.36Å; F1300-D1362 WeakPolarHBondContact CB-OD1 3.29Å; F1300-D1362 HydrophobicContact CD1-CB 3.66Å; F1300-D1362 HydrophobicContact CE1-CB 4.1Å; F1300-D1362 HydrophobicContact CG-CB 4.02Å; D1362-G1364 PolarHBondContact O-N 3.23Å; D1362-G1364 VanDerWaalsContact O-N 3.16Å |
| 1363 | D | 87.9 | Confident | 93.1 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -75.7 | 3.9 | -175.2 | -70.9 | -29 | 0 | 0 | 0 | 116.2 | R1296 G1361 H1450 | R1296-D1363 IonicContact CZ-OD1 3.57Å; R1296-D1363 IonicContact NH1-OD1 3.81Å; R1296-D1363 PolarHBondContact NH1-OD1 2.77Å; G1361-D1363 PolarHBondContact O-N 3.32Å; D1363-H1450 WeakPolarHBondContact CA-CE1 3.47Å; D1363-H1450 VanDerWaalsContact CB-CE1 3.49Å; D1363-H1450 WeakPolarHBondContact CB-CE1 3.46Å; D1363-H1450 PolarHBondContact O-CE1 3Å; D1363-H1450 IonicContact OD1-CE1 2.68Å; D1363-H1450 PolarHBondContact OD1-CE1 2.92Å; D1363-H1450 IonicContact OD1-NE2 2.7Å; D1363-H1450 PolarHBondContact OD1-NE2 2.86Å; D1363-H1450 IonicContact OD2-NE2 2.72Å |
| 1364 | G | 90.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 7% | 0.072 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -145.4 | 27.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1360 G1361 D1362 K1367 A1368 | C1360-G1364 WeakPolarHBondContact CB-O 3.26Å; G1361-G1364 PolarHBondContact O-N 3.29Å; D1362-G1364 PolarHBondContact O-N 3.23Å; D1362-G1364 VanDerWaalsContact O-N 3.16Å; G1364-K1367 WeakPolarHBondContact O-CB 3.42Å; G1364-K1367 PolarHBondContact O-N 3.19Å; G1364-A1368 WeakPolarHBondContact O-CB 3.14Å; G1364-A1368 PolarHBondContact O-N 2.82Å |
| 1365 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | -179.1 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | F1300 L1303 L1357 A1368 M1369 L1439 L1442 D1452 L1456 | F1300-V1365 HydrophobicContact CD2-CG2 3.37Å; F1300-V1365 HydrophobicContact CE2-CG2 3.81Å; F1300-V1365 HydrophobicContact CG-CG2 4.24Å; L1303-V1365 HydrophobicContact CD2-CG1 3.61Å; L1357-V1365 HydrophobicContact CD2-CB 4.41Å; L1357-V1365 HydrophobicContact CD2-CG1 3.93Å; L1357-V1365 HydrophobicContact CD2-CG2 4.31Å; V1365-A1368 PolarHBondContact O-N 3.47Å; V1365-M1369 PolarHBondContact O-N 3.46Å; V1365-L1439 HydrophobicContact CG1-CD2 3.68Å; V1365-L1442 HydrophobicContact CB-CD2 3.75Å; V1365-L1442 HydrophobicContact CG1-CD2 3.64Å; V1365-L1442 HydrophobicContact CG2-CD2 4.01Å; V1365-D1452 PolarHBondContact N-OD2 3.42Å; V1365-L1456 HydrophobicContact CB-CD2 4.36Å; V1365-L1456 HydrophobicContact CG1-CD2 4.27Å |
| 1366 | G | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1368 M1369 L1370 D1452 | G1366-A1368 PolarHBondContact O-N 3.25Å; G1366-M1369 PolarHBondContact O-N 3.21Å; G1366-L1370 WeakPolarHBondContact O-CG 3.49Å; G1366-L1370 PolarHBondContact O-N 2.8Å; G1366-D1452 WeakPolarHBondContact CA-OD1 3.48Å; G1366-D1452 PolarHBondContact N-OD1 3.32Å; G1366-D1452 PolarHBondContact N-OD2 2.97Å |
| 1367 | K | 94.4 | Very high | 92.4 | Very high | 131 Ų | 131 | 46.2 Ų | 46.2 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57.9 | -45.3 | 173.7 | -172.9 | -170.1 | 174.1 | -164.9 | 0 | 112.3 | G1364 M1369 L1370 Y1371 D1452 | G1364-K1367 WeakPolarHBondContact O-CB 3.42Å; G1364-K1367 PolarHBondContact O-N 3.19Å; K1367-M1369 VanDerWaalsContact C-N 3.34Å; K1367-M1369 PolarHBondContact O-N 3.18Å; K1367-L1370 PolarHBondContact O-N 2.87Å; K1367-Y1371 PolarHBondContact O-N 2.99Å; K1367-D1452 PolarHBondContact N-OD1 3.27Å |
| 1368 | A | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q1356 L1357 C1360 G1364 V1365 G1366 M1372 | Q1356-A1368 HydrophobicContact CB-CB 4.16Å; L1357-A1368 HydrophobicContact CD2-CB 4.18Å; C1360-A1368 HydrophobicContact CB-CB 4.24Å; G1364-A1368 WeakPolarHBondContact O-CB 3.14Å; G1364-A1368 PolarHBondContact O-N 2.82Å; V1365-A1368 PolarHBondContact O-N 3.47Å; G1366-A1368 PolarHBondContact O-N 3.25Å; A1368-M1372 WeakPolarHBondContact O-CB 3.21Å; A1368-M1372 WeakPolarHBondContact O-CG 3.09Å; A1368-M1372 PolarHBondContact O-N 3.31Å; A1368-M1372 VanDerWaalsContact O-N 3.11Å |
| 1369 | M | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.4 | -174.4 | 61.7 | 75.8 | 0 | 0 | 112.1 | F1353 V1365 G1366 K1367 Y1371 M1372 L1373 F1376 Y1435 L1439 A1459 L1463 | F1353-M1369 HydrophobicContact CE1-CE 3.93Å; F1353-M1369 HydrophobicContact CE2-CE 3.77Å; F1353-M1369 HydrophobicContact CE2-SD 4.24Å; F1353-M1369 HydrophobicContact CZ-CE 3.28Å; F1353-M1369 HydrophobicContact CZ-SD 4.3Å; V1365-M1369 PolarHBondContact O-N 3.46Å; G1366-M1369 PolarHBondContact O-N 3.21Å; K1367-M1369 VanDerWaalsContact C-N 3.34Å; K1367-M1369 PolarHBondContact O-N 3.18Å; M1369-Y1371 VanDerWaalsContact C-N 3.28Å; M1369-Y1371 PolarHBondContact O-N 3.49Å; M1369-M1372 PolarHBondContact O-N 3.32Å; M1369-M1372 VanDerWaalsContact O-N 3.13Å; M1369-L1373 HydrophobicContact CG-CD1 4.27Å; M1369-L1373 HydrophobicContact CG-CG 4.41Å; M1369-L1373 WeakPolarHBondContact O-CB 3.47Å; M1369-L1373 PolarHBondContact O-N 2.93Å; M1369-F1376 HydrophobicContact CE-CE2 4.3Å; M1369-F1376 HydrophobicContact CE-CZ 4.45Å; M1369-F1376 HydrophobicContact SD-CE2 3.57Å; M1369-F1376 VanDerWaalsContact SD-CE2 3.57Å; M1369-F1376 HydrophobicContact SD-CZ 3.78Å; M1369-Y1435 HydrophobicContact CE-CD1 4.03Å; M1369-Y1435 HydrophobicContact CE-CG 4.01Å; M1369-L1439 HydrophobicContact CB-CD1 4.3Å; M1369-L1439 HydrophobicContact CE-CD1 4.04Å; M1369-L1439 HydrophobicContact CG-CD1 3.95Å; M1369-A1459 HydrophobicContact CB-CB 4.02Å; M1369-A1459 HydrophobicContact CG-CB 3.82Å; M1369-L1463 HydrophobicContact CE-CD1 4.03Å; M1369-L1463 HydrophobicContact CG-CD1 3.82Å; M1369-L1463 HydrophobicContact CG-CG 4.34Å; M1369-L1463 HydrophobicContact SD-CD1 3.91Å; M1369-L1463 HydrophobicContact SD-CD2 4.06Å; M1369-L1463 HydrophobicContact SD-CG 4.33Å |
| 1370 | L | 95.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 36 Ų | 36 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -36.9 | 176.8 | -71 | 175.6 | 0 | 0 | 0 | 112.5 | G1366 K1367 L1373 N1455 Q1458 A1459 | G1366-L1370 WeakPolarHBondContact O-CG 3.49Å; G1366-L1370 PolarHBondContact O-N 2.8Å; K1367-L1370 PolarHBondContact O-N 2.87Å; L1370-L1373 HydrophobicContact CD2-CD1 4.12Å; L1370-N1455 HydrophobicContact CD1-CB 3.9Å; L1370-Q1458 HydrophobicContact CD1-CB 4.42Å; L1370-Q1458 HydrophobicContact CD1-CG 4.47Å; L1370-Q1458 HydrophobicContact CD2-CB 4.25Å; L1370-Q1458 HydrophobicContact CD2-CG 3.88Å; L1370-A1459 HydrophobicContact CD2-CB 4.02Å; L1370-A1459 HydrophobicContact CG-CB 4.16Å |
| 1371 | Y | 94.3 | Very high | 92.2 | Very high | 148 Ų | 148 | 37.3 Ų | 37.3 | 58% | 0.58 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -69.8 | -33.9 | 175.3 | 179.5 | -101.5 | 0 | 0 | 0 | 113.2 | Q1356 K1367 M1369 | Q1356-Y1371 HydrophobicContact CG-CD1 3.94Å; Q1356-Y1371 HydrophobicContact CG-CE1 4.13Å; K1367-Y1371 PolarHBondContact O-N 2.99Å; M1369-Y1371 VanDerWaalsContact C-N 3.28Å; M1369-Y1371 PolarHBondContact O-N 3.49Å |
| 1372 | M | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -86.9 | -21.7 | -179.9 | -72.5 | -57.9 | -51.8 | 0 | 0 | 114.3 | V1349 Q1352 F1353 Q1356 A1368 M1369 Q1375 F1376 | V1349-M1372 HydrophobicContact CG1-CE 3.91Å; V1349-M1372 WeakPolarHBondContact O-CE 3.44Å; Q1352-M1372 HydrophobicContact CB-CE 3.61Å; Q1352-M1372 HydrophobicContact CB-SD 4.01Å; F1353-M1372 HydrophobicContact CB-CE 4.37Å; F1353-M1372 HydrophobicContact CB-CG 4.17Å; F1353-M1372 HydrophobicContact CD2-CB 4.23Å; F1353-M1372 HydrophobicContact CD2-CG 3.98Å; Q1356-M1372 HydrophobicContact CB-CG 4.33Å; Q1356-M1372 HydrophobicContact CG-CG 4.22Å; Q1356-M1372 HydrophobicContact CG-SD 4.02Å; A1368-M1372 WeakPolarHBondContact O-CB 3.21Å; A1368-M1372 WeakPolarHBondContact O-CG 3.09Å; A1368-M1372 PolarHBondContact O-N 3.31Å; A1368-M1372 VanDerWaalsContact O-N 3.11Å; M1369-M1372 PolarHBondContact O-N 3.32Å; M1369-M1372 VanDerWaalsContact O-N 3.13Å; M1372-Q1375 HydrophobicContact CE-CB 4.26Å; M1372-Q1375 WeakPolarHBondContact O-CA 3.07Å; M1372-Q1375 WeakPolarHBondContact O-CB 3.06Å; M1372-Q1375 PolarHBondContact O-N 3.01Å; M1372-Q1375 PolarHBondContact SD-NE2 3.27Å; M1372-F1376 HydrophobicContact CB-CE1 3.94Å; M1372-F1376 HydrophobicContact CB-CZ 4.47Å; M1372-F1376 WeakPolarHBondContact O-CD1 3.15Å |
| 1373 | L | 92.5 | Very high | 92.3 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -51.7 | -44.3 | -176.2 | -108.2 | 164 | 0 | 0 | 0 | 114.5 | M1369 L1370 Q1375 F1376 D1462 L1463 L1466 | M1369-L1373 HydrophobicContact CG-CD1 4.27Å; M1369-L1373 HydrophobicContact CG-CG 4.41Å; M1369-L1373 WeakPolarHBondContact O-CB 3.47Å; M1369-L1373 PolarHBondContact O-N 2.93Å; L1370-L1373 HydrophobicContact CD2-CD1 4.12Å; L1373-Q1375 PolarHBondContact O-N 3.02Å; L1373-Q1375 VanDerWaalsContact O-N 3.12Å; L1373-F1376 WeakPolarHBondContact O-CB 3.3Å; L1373-F1376 PolarHBondContact O-N 2.97Å; L1373-D1462 HydrophobicContact CD1-CB 3.73Å; L1373-L1463 HydrophobicContact CD1-CG 4.29Å; L1373-L1463 HydrophobicContact CD2-CD2 3.75Å; L1373-L1463 HydrophobicContact CD2-CG 4.02Å; L1373-L1463 HydrophobicContact CG-CD2 4.27Å; L1373-L1463 HydrophobicContact CG-CG 4.34Å; L1373-L1466 HydrophobicContact CD2-CD2 4.09Å |
| 1374 | P | 91.2 | Very high | 92.1 | Very high | 89 Ų | 89 | 35.6 Ų | 35.6 | 58% | 0.578 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -62.3 | -18.2 | 175.7 | -25.3 | 35.8 | 0 | 0 | 0 | 114.6 | ||
| 1375 | Q | 91.7 | Very high | 91.9 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -90.1 | -5.3 | 174.6 | -65.5 | 173 | 85.5 | 0 | 0 | 112.5 | V1349 M1372 L1373 D1377 A1378 | V1349-Q1375 HydrophobicContact CG1-CB 4.13Å; V1349-Q1375 HydrophobicContact CG2-CB 4.1Å; M1372-Q1375 HydrophobicContact CE-CB 4.26Å; M1372-Q1375 WeakPolarHBondContact O-CA 3.07Å; M1372-Q1375 WeakPolarHBondContact O-CB 3.06Å; M1372-Q1375 PolarHBondContact O-N 3.01Å; M1372-Q1375 PolarHBondContact SD-NE2 3.27Å; L1373-Q1375 PolarHBondContact O-N 3.02Å; L1373-Q1375 VanDerWaalsContact O-N 3.12Å; Q1375-D1377 PolarHBondContact O-N 3.46Å; Q1375-A1378 PolarHBondContact O-N 3.22Å |
| 1376 | F | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.7 | -179.6 | -75.9 | 18.3 | 0 | 0 | 0 | 113.4 | V1349 F1353 M1369 M1372 L1373 A1378 F1379 A1380 F1432 Y1435 L1463 L1466 | V1349-F1376 HydrophobicContact CG1-CD1 3.65Å; V1349-F1376 HydrophobicContact CG1-CE1 3.77Å; F1353-F1376 HydrophobicContact CD1-CZ 4.47Å; F1353-F1376 HydrophobicContact CG-CZ 4.45Å; M1369-F1376 HydrophobicContact CE-CE2 4.3Å; M1369-F1376 HydrophobicContact CE-CZ 4.45Å; M1369-F1376 HydrophobicContact SD-CE2 3.57Å; M1369-F1376 VanDerWaalsContact SD-CE2 3.57Å; M1369-F1376 HydrophobicContact SD-CZ 3.78Å; M1372-F1376 HydrophobicContact CB-CE1 3.94Å; M1372-F1376 HydrophobicContact CB-CZ 4.47Å; M1372-F1376 WeakPolarHBondContact O-CD1 3.15Å; L1373-F1376 WeakPolarHBondContact O-CB 3.3Å; L1373-F1376 PolarHBondContact O-N 2.97Å; F1376-A1378 PolarHBondContact O-N 3.44Å; F1376-F1379 HydrophobicContact CB-CD2 4.06Å; F1376-F1379 HydrophobicContact CD1-CD2 4.27Å; F1376-F1379 HydrophobicContact CD1-CE2 4.11Å; F1376-F1379 HydrophobicContact CD2-CD2 4.33Å; F1376-F1379 HydrophobicContact CD2-CE2 4.41Å; F1376-F1379 HydrophobicContact CE1-CE2 4.27Å; F1376-F1379 AromaticContact CG-CD2 3.98Å; F1376-F1379 HydrophobicContact CG-CD2 3.98Å; F1376-F1379 HydrophobicContact CG-CE2 4.17Å; F1376-F1379 HydrophobicContact CZ-CE2 4.5Å; F1376-F1379 WeakPolarHBondContact O-CA 3.44Å; F1376-F1379 WeakPolarHBondContact O-CB 3.37Å; F1376-F1379 PolarHBondContact O-N 3.08Å; F1376-A1380 PolarHBondContact O-N 2.99Å; F1376-F1432 HydrophobicContact CB-CE2 4.45Å; F1376-F1432 HydrophobicContact CD2-CD2 4.24Å; F1376-F1432 HydrophobicContact CD2-CE2 4.08Å; F1376-Y1435 HydrophobicContact CD2-CD2 4.44Å; F1376-Y1435 HydrophobicContact CD2-CE2 4.33Å; F1376-Y1435 AromaticContact CE2-CD2 3.7Å; F1376-Y1435 HydrophobicContact CE2-CD2 3.7Å; F1376-Y1435 AromaticContact CE2-CE2 3.52Å; F1376-Y1435 HydrophobicContact CE2-CE2 3.52Å; F1376-Y1435 AromaticContact CZ-CE2 3.99Å; F1376-Y1435 HydrophobicContact CZ-CE2 3.99Å; F1376-L1463 HydrophobicContact CD2-CD2 3.83Å; F1376-L1463 HydrophobicContact CE2-CD2 3.94Å; F1376-L1466 HydrophobicContact CB-CD2 3.84Å |
| 1377 | D | 88.3 | Confident | 91 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.2 | -21.3 | 163.8 | -85.4 | -14.8 | 0 | 0 | 0 | 113.2 | H111 Q1375 F1379 A1380 T1381 | H111-D1377 IonicContact CD2-OD2 2.96Å; H111-D1377 IonicContact CE1-OD2 2.9Å; H111-D1377 PolarHBondContact CE1-OD2 3.45Å; H111-D1377 VanDerWaalsContact CE1-OD2 3.29Å; H111-D1377 IonicContact NE2-OD2 3.85Å; H111-D1377 PolarHBondContact NE2-OD2 3.11Å; Q1375-D1377 PolarHBondContact O-N 3.46Å; D1377-F1379 VanDerWaalsContact C-N 3.34Å; D1377-A1380 PolarHBondContact O-N 3.04Å; D1377-T1381 WeakPolarHBondContact O-CB 3.34Å; D1377-T1381 PolarHBondContact O-N 2.82Å; D1377-T1381 PolarHBondContact O-OG1 3.21Å |
| 1378 | A | 92.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1342 L1346 V1349 Q1375 F1376 F1382 | N1342-A1378 PolarHBondContact ND2-O 3.14Å; L1346-A1378 HydrophobicContact CD2-CB 4.08Å; V1349-A1378 HydrophobicContact CG2-CB 4.16Å; Q1375-A1378 PolarHBondContact O-N 3.22Å; F1376-A1378 PolarHBondContact O-N 3.44Å; A1378-F1382 PolarHBondContact O-N 2.97Å; A1378-F1382 VanDerWaalsContact O-N 3.09Å |
| 1379 | F | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | 174.6 | -68 | -88.1 | 0 | 0 | 0 | 111.6 | Y1310 L1346 V1349 F1376 D1377 F1382 G1383 P1428 F1432 Y1435 | Y1310-F1379 HydrophobicContact CE1-CE1 4.38Å; Y1310-F1379 HydrophobicContact CE1-CZ 4.26Å; Y1310-F1379 VanDerWaalsContact OH-CE1 3.25Å; Y1310-F1379 WeakPolarHBondContact OH-CE1 3.45Å; L1346-F1379 HydrophobicContact CD2-CD1 3.98Å; L1346-F1379 HydrophobicContact CD2-CD2 4.48Å; L1346-F1379 HydrophobicContact CD2-CE1 4.28Å; L1346-F1379 HydrophobicContact CD2-CG 4.1Å; V1349-F1379 HydrophobicContact CG1-CE2 4.43Å; F1376-F1379 HydrophobicContact CB-CD2 4.06Å; F1376-F1379 HydrophobicContact CD1-CD2 4.27Å; F1376-F1379 HydrophobicContact CD1-CE2 4.11Å; F1376-F1379 HydrophobicContact CD2-CD2 4.33Å; F1376-F1379 HydrophobicContact CD2-CE2 4.41Å; F1376-F1379 HydrophobicContact CE1-CE2 4.27Å; F1376-F1379 AromaticContact CG-CD2 3.98Å; F1376-F1379 HydrophobicContact CG-CD2 3.98Å; F1376-F1379 HydrophobicContact CG-CE2 4.17Å; F1376-F1379 HydrophobicContact CZ-CE2 4.5Å; F1376-F1379 WeakPolarHBondContact O-CA 3.44Å; F1376-F1379 WeakPolarHBondContact O-CB 3.37Å; F1376-F1379 PolarHBondContact O-N 3.08Å; D1377-F1379 VanDerWaalsContact C-N 3.34Å; F1379-F1382 PolarHBondContact O-N 3.49Å; F1379-G1383 PolarHBondContact O-N 3.02Å; F1379-P1428 HydrophobicContact CD1-CB 4.34Å; F1379-P1428 HydrophobicContact CE1-CB 4.37Å; F1379-F1432 HydrophobicContact CB-CB 4.32Å; F1379-F1432 HydrophobicContact CB-CD1 4.35Å; F1379-F1432 HydrophobicContact CB-CD2 3.85Å; F1379-F1432 HydrophobicContact CB-CE2 4.28Å; F1379-F1432 HydrophobicContact CB-CG 3.91Å; F1379-F1432 HydrophobicContact CD1-CB 3.67Å; F1379-F1432 HydrophobicContact CD1-CD2 4.3Å; F1379-F1432 HydrophobicContact CD1-CG 4.16Å; F1379-F1432 HydrophobicContact CD2-CD2 4.19Å; F1379-F1432 HydrophobicContact CE1-CB 4.14Å; F1379-F1432 HydrophobicContact CG-CB 4.11Å; F1379-F1432 AromaticContact CG-CD2 3.88Å; F1379-F1432 HydrophobicContact CG-CD2 3.88Å; F1379-F1432 HydrophobicContact CG-CG 4.09Å; F1379-Y1435 HydrophobicContact CZ-CE2 4.3Å |
| 1380 | A | 87.4 | Confident | 89.9 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1376 D1377 F1382 G1383 K1384 V1470 | F1376-A1380 PolarHBondContact O-N 2.99Å; D1377-A1380 PolarHBondContact O-N 3.04Å; A1380-F1382 VanDerWaalsContact C-N 3.32Å; A1380-F1382 PolarHBondContact O-N 3.06Å; A1380-G1383 PolarHBondContact O-N 3.41Å; A1380-K1384 WeakPolarHBondContact O-CB 3.49Å; A1380-K1384 PolarHBondContact O-N 2.99Å; A1380-V1470 VanDerWaalsContact CA-CG2 3.47Å; A1380-V1470 HydrophobicContact CB-CG2 3.45Å; A1380-V1470 VanDerWaalsContact CB-CG2 3.45Å |
| 1381 | T | 89.5 | Confident | 89.3 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | D1377 H1385 | D1377-T1381 WeakPolarHBondContact O-CB 3.34Å; D1377-T1381 PolarHBondContact O-N 2.82Å; D1377-T1381 PolarHBondContact O-OG1 3.21Å; T1381-H1385 PolarHBondContact O-ND1 3.15Å |
| 1382 | F | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.5 | -53.7 | 174.8 | -173.5 | -101.3 | 0 | 0 | 0 | 111.7 | V1341 N1342 W1343 L1346 A1378 F1379 A1380 K1384 H1385 L1386 L1425 P1428 M1429 | V1341-F1382 HydrophobicContact CB-CD2 4.14Å; V1341-F1382 HydrophobicContact CG2-CD2 4.48Å; N1342-F1382 WeakPolarHBondContact OD1-CB 3.29Å; W1343-F1382 AromaticContact CE3-CE2 3.8Å; W1343-F1382 HydrophobicContact CE3-CE2 3.8Å; W1343-F1382 HydrophobicContact CE3-CZ 4.17Å; W1343-F1382 AromaticContact CZ3-CE2 3.89Å; W1343-F1382 HydrophobicContact CZ3-CE2 3.89Å; W1343-F1382 AromaticContact CZ3-CZ 3.76Å; W1343-F1382 HydrophobicContact CZ3-CZ 3.76Å; L1346-F1382 HydrophobicContact CD1-CB 4.12Å; L1346-F1382 HydrophobicContact CD1-CD1 4.33Å; L1346-F1382 HydrophobicContact CD1-CD2 3.73Å; L1346-F1382 HydrophobicContact CD1-CE2 4.26Å; L1346-F1382 HydrophobicContact CD1-CG 3.79Å; L1346-F1382 HydrophobicContact CD2-CB 4.35Å; A1378-F1382 PolarHBondContact O-N 2.97Å; A1378-F1382 VanDerWaalsContact O-N 3.09Å; F1379-F1382 PolarHBondContact O-N 3.49Å; A1380-F1382 VanDerWaalsContact C-N 3.32Å; A1380-F1382 PolarHBondContact O-N 3.06Å; F1382-K1384 VanDerWaalsContact C-N 3.29Å; F1382-K1384 PolarHBondContact O-N 3.25Å; F1382-H1385 PolarHBondContact O-N 3.14Å; F1382-L1386 HydrophobicContact CE1-CB 4.41Å; F1382-L1386 HydrophobicContact CE1-CD1 3.84Å; F1382-L1386 HydrophobicContact CE1-CD2 4.16Å; F1382-L1386 HydrophobicContact CE1-CG 4.36Å; F1382-L1386 HydrophobicContact CZ-CD1 3.9Å; F1382-L1386 PolarHBondContact O-N 2.8Å; F1382-L1425 WeakPolarHBondContact CE1-O 3.24Å; F1382-L1425 HydrophobicContact CZ-CD2 4.36Å; F1382-L1425 VanDerWaalsContact CZ-O 3.27Å; F1382-L1425 WeakPolarHBondContact CZ-O 2.87Å; F1382-P1428 HydrophobicContact CD1-CB 3.86Å; F1382-P1428 HydrophobicContact CD1-CG 4.2Å; F1382-P1428 HydrophobicContact CE1-CB 3.86Å; F1382-P1428 HydrophobicContact CE1-CG 3.76Å; F1382-P1428 HydrophobicContact CZ-CG 4.11Å; F1382-M1429 HydrophobicContact CD1-CG 4.29Å |
| 1383 | G | 88.2 | Confident | 88.7 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -37.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1379 A1380 H1385 M1429 | F1379-G1383 PolarHBondContact O-N 3.02Å; A1380-G1383 PolarHBondContact O-N 3.41Å; G1383-H1385 VanDerWaalsContact C-N 3.26Å; G1383-H1385 PolarHBondContact O-N 3.1Å; G1383-M1429 VanDerWaalsContact CA-SD 3.52Å |
| 1384 | K | 84.2 | Confident | 88.4 | Confident | 95 Ų | 95 | 46.6 Ų | 46.6 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.4 | -33.7 | 175 | 179.4 | -175.8 | 168.5 | -162.9 | 0 | 113.6 | A1380 F1382 | A1380-K1384 WeakPolarHBondContact O-CB 3.49Å; A1380-K1384 PolarHBondContact O-N 2.99Å; F1382-K1384 VanDerWaalsContact C-N 3.29Å; F1382-K1384 PolarHBondContact O-N 3.25Å |
| 1385 | H | 86.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -109 | -8.4 | -173.8 | -54.5 | 106.2 | 0 | 0 | 0 | 113.5 | V1341 T1381 F1382 G1383 R1387 S1388 A1389 | V1341-H1385 HydrophobicContact CG1-CB 4.12Å; V1341-H1385 HydrophobicContact CG2-CB 3.96Å; T1381-H1385 PolarHBondContact O-ND1 3.15Å; F1382-H1385 PolarHBondContact O-N 3.14Å; G1383-H1385 VanDerWaalsContact C-N 3.26Å; G1383-H1385 PolarHBondContact O-N 3.1Å; H1385-R1387 VanDerWaalsContact C-N 3.29Å; H1385-R1387 PolarHBondContact O-N 3.09Å; H1385-S1388 PolarHBondContact O-N 2.65Å; H1385-A1389 PolarHBondContact O-N 3.02Å |
| 1386 | L | 89.4 | Confident | 87.7 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.2 | -41.1 | -177.7 | 175.4 | 57.1 | 0 | 0 | 0 | 113.5 | F1382 A1389 L1390 L1425 L1426 M1429 | F1382-L1386 HydrophobicContact CE1-CB 4.41Å; F1382-L1386 HydrophobicContact CE1-CD1 3.84Å; F1382-L1386 HydrophobicContact CE1-CD2 4.16Å; F1382-L1386 HydrophobicContact CE1-CG 4.36Å; F1382-L1386 HydrophobicContact CZ-CD1 3.9Å; F1382-L1386 PolarHBondContact O-N 2.8Å; L1386-A1389 PolarHBondContact O-N 2.86Å; L1386-L1390 HydrophobicContact CD1-CD1 3.85Å; L1386-L1390 HydrophobicContact CD1-CG 4.03Å; L1386-L1390 HydrophobicContact CG-CD1 4.07Å; L1386-L1390 VanDerWaalsContact O-CG 3.31Å; L1386-L1390 WeakPolarHBondContact O-CG 3.19Å; L1386-L1390 PolarHBondContact O-N 2.99Å; L1386-L1425 HydrophobicContact CD1-CB 4.16Å; L1386-L1425 VanDerWaalsContact CD1-O 3.28Å; L1386-L1425 WeakPolarHBondContact CD1-O 3.42Å; L1386-L1426 HydrophobicContact CD2-CD2 4.28Å; L1386-M1429 HydrophobicContact CD2-CB 4.19Å; L1386-M1429 HydrophobicContact CD2-CG 3.68Å |
| 1387 | R | 82.1 | Confident | 87.5 | Confident | 144 Ų | 144 | 47.8 Ų | 47.8 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -52.8 | 175.6 | -177.9 | 68.7 | -139.7 | -164.4 | 6 | 111.1 | H1385 A1389 L1390 D1391 | H1385-R1387 VanDerWaalsContact C-N 3.29Å; H1385-R1387 PolarHBondContact O-N 3.09Å; R1387-A1389 VanDerWaalsContact C-N 3.31Å; R1387-A1389 PolarHBondContact O-N 2.84Å; R1387-L1390 PolarHBondContact O-N 2.87Å; R1387-D1391 WeakPolarHBondContact CG-OD2 3.4Å; R1387-D1391 IonicContact CZ-OD1 3.16Å; R1387-D1391 IonicContact CZ-OD2 2.71Å; R1387-D1391 IonicContact NE-OD1 2.67Å; R1387-D1391 PolarHBondContact NE-OD1 3.24Å; R1387-D1391 IonicContact NE-OD2 2.64Å; R1387-D1391 PolarHBondContact NE-OD2 2.79Å; R1387-D1391 IonicContact NH2-OD1 2.76Å; R1387-D1391 PolarHBondContact NH2-OD1 2.84Å; R1387-D1391 IonicContact NH2-OD2 2.63Å; R1387-D1391 PolarHBondContact O-N 3.04Å; R1387-D1391 VanDerWaalsContact O-OD2 3.13Å |
| 1388 | S | 82.2 | Confident | 87.2 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | H1385 Y1392 | H1385-S1388 PolarHBondContact O-N 2.65Å; S1388-Y1392 WeakPolarHBondContact O-CB 3.14Å; S1388-Y1392 PolarHBondContact O-N 2.97Å |
| 1389 | A | 89.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1338 V1341 H1385 L1386 R1387 L1393 | A1338-A1389 WeakPolarHBondContact O-CB 3.35Å; V1341-A1389 HydrophobicContact CG2-CB 4.22Å; H1385-A1389 PolarHBondContact O-N 3.02Å; L1386-A1389 PolarHBondContact O-N 2.86Å; R1387-A1389 VanDerWaalsContact C-N 3.31Å; R1387-A1389 PolarHBondContact O-N 2.84Å; A1389-L1393 VanDerWaalsContact O-CB 3.26Å; A1389-L1393 WeakPolarHBondContact O-CB 3.41Å; A1389-L1393 PolarHBondContact O-N 2.93Å |
| 1390 | L | 90.2 | Very high | 86.4 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70 | -44.1 | 175.3 | -70.7 | 167.5 | 0 | 0 | 0 | 112.1 | L1386 R1387 Y1392 L1393 D1394 N1422 L1425 L1426 | L1386-L1390 HydrophobicContact CD1-CD1 3.85Å; L1386-L1390 HydrophobicContact CD1-CG 4.03Å; L1386-L1390 HydrophobicContact CG-CD1 4.07Å; L1386-L1390 VanDerWaalsContact O-CG 3.31Å; L1386-L1390 WeakPolarHBondContact O-CG 3.19Å; L1386-L1390 PolarHBondContact O-N 2.99Å; R1387-L1390 PolarHBondContact O-N 2.87Å; L1390-Y1392 VanDerWaalsContact C-N 3.33Å; L1390-Y1392 PolarHBondContact O-N 3.23Å; L1390-L1393 PolarHBondContact O-N 2.92Å; L1390-D1394 PolarHBondContact O-N 3.44Å; L1390-N1422 HydrophobicContact CD2-CB 3.82Å; L1390-L1425 HydrophobicContact CD2-CB 4.21Å; L1390-L1425 HydrophobicContact CD2-CD1 4.2Å; L1390-L1426 HydrophobicContact CD1-CD2 3.84Å |
| 1391 | D | 82.4 | Confident | 86.3 | Confident | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.3 | -67.9 | -39.1 | 0 | 0 | 0 | 111.5 | R1387 H1395 | R1387-D1391 WeakPolarHBondContact CG-OD2 3.4Å; R1387-D1391 IonicContact CZ-OD1 3.16Å; R1387-D1391 IonicContact CZ-OD2 2.71Å; R1387-D1391 IonicContact NE-OD1 2.67Å; R1387-D1391 PolarHBondContact NE-OD1 3.24Å; R1387-D1391 IonicContact NE-OD2 2.64Å; R1387-D1391 PolarHBondContact NE-OD2 2.79Å; R1387-D1391 IonicContact NH2-OD1 2.76Å; R1387-D1391 PolarHBondContact NH2-OD1 2.84Å; R1387-D1391 IonicContact NH2-OD2 2.63Å; R1387-D1391 PolarHBondContact O-N 3.04Å; R1387-D1391 VanDerWaalsContact O-OD2 3.13Å; D1391-H1395 WeakPolarHBondContact O-CB 3.24Å; D1391-H1395 PolarHBondContact O-N 2.89Å |
| 1392 | Y | 86.7 | Confident | 86.3 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.3 | -38 | 174.5 | -168.2 | -90.2 | 0 | 0 | 0 | 112.3 | D1335 A1338 I1339 S1388 L1390 H1395 R1396 | D1335-Y1392 HydrophobicContact CB-CE1 4.32Å; A1338-Y1392 HydrophobicContact CB-CD1 4.2Å; A1338-Y1392 HydrophobicContact CB-CE1 4.36Å; I1339-Y1392 HydrophobicContact CD1-CD1 4.02Å; I1339-Y1392 HydrophobicContact CD1-CE1 4.37Å; I1339-Y1392 HydrophobicContact CG1-CD1 3.73Å; I1339-Y1392 HydrophobicContact CG1-CE1 4.37Å; S1388-Y1392 WeakPolarHBondContact O-CB 3.14Å; S1388-Y1392 PolarHBondContact O-N 2.97Å; L1390-Y1392 VanDerWaalsContact C-N 3.33Å; L1390-Y1392 PolarHBondContact O-N 3.23Å; Y1392-H1395 PolarHBondContact O-N 3.2Å; Y1392-R1396 HydrophobicContact CD1-CG 3.9Å; Y1392-R1396 HydrophobicContact CE1-CG 3.5Å; Y1392-R1396 VanDerWaalsContact CE1-CG 3.5Å; Y1392-R1396 WeakPolarHBondContact O-CB 3.26Å; Y1392-R1396 VanDerWaalsContact O-CG 3.29Å; Y1392-R1396 WeakPolarHBondContact O-CG 3.29Å; Y1392-R1396 PolarHBondContact O-N 3.35Å; Y1392-R1396 PolarHBondContact OH-NH1 2.96Å |
| 1393 | L | 90.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.2 | 172.7 | 60.6 | 0 | 0 | 0 | 111.1 | I1339 A1389 L1390 R1396 L1397 F1403 L1421 N1422 L1425 | I1339-L1393 HydrophobicContact CD1-CB 4.44Å; I1339-L1393 HydrophobicContact CD1-CD1 4.27Å; A1389-L1393 VanDerWaalsContact O-CB 3.26Å; A1389-L1393 WeakPolarHBondContact O-CB 3.41Å; A1389-L1393 PolarHBondContact O-N 2.93Å; L1390-L1393 PolarHBondContact O-N 2.92Å; L1393-R1396 PolarHBondContact O-N 3.43Å; L1393-L1397 HydrophobicContact CD1-CD1 4.26Å; L1393-L1397 HydrophobicContact CD1-CG 4.25Å; L1393-L1397 HydrophobicContact CG-CD1 4.23Å; L1393-L1397 WeakPolarHBondContact O-CG 3.23Å; L1393-L1397 PolarHBondContact O-N 2.77Å; L1393-F1403 HydrophobicContact CD1-CE1 3.73Å; L1393-F1403 HydrophobicContact CD1-CZ 3.62Å; L1393-L1421 HydrophobicContact CD1-CD2 4.12Å; L1393-L1421 HydrophobicContact CD2-CB 4.24Å; L1393-L1421 HydrophobicContact CD2-CD2 4.32Å; L1393-L1421 HydrophobicContact CD2-CG 4.14Å; L1393-N1422 HydrophobicContact CD2-CB 3.88Å; L1393-L1425 HydrophobicContact CD2-CD1 3.79Å |
| 1394 | D | 86.2 | Confident | 86.4 | Confident | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 178 | -170.1 | 61.8 | 0 | 0 | 0 | 112.1 | L1390 R1396 L1397 T1398 | L1390-D1394 PolarHBondContact O-N 3.44Å; D1394-R1396 VanDerWaalsContact C-N 3.28Å; D1394-R1396 PolarHBondContact O-N 3.09Å; D1394-L1397 PolarHBondContact O-N 2.96Å; D1394-T1398 WeakPolarHBondContact O-CB 3.31Å; D1394-T1398 WeakPolarHBondContact O-CG2 3.39Å; D1394-T1398 PolarHBondContact O-N 2.75Å; D1394-T1398 PolarHBondContact O-OG1 3.42Å |
| 1395 | H | 83.5 | Confident | 86.6 | Confident | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.6 | -38.6 | 171.8 | -178.7 | 75.2 | 0 | 0 | 0 | 112.4 | D1391 Y1392 T1398 T1399 | D1391-H1395 WeakPolarHBondContact O-CB 3.24Å; D1391-H1395 PolarHBondContact O-N 2.89Å; Y1392-H1395 PolarHBondContact O-N 3.2Å; H1395-T1398 WeakPolarHBondContact CA-OG1 3.39Å; H1395-T1398 PolarHBondContact O-OG1 3.37Å; H1395-T1399 WeakPolarHBondContact O-CB 3.44Å; H1395-T1399 WeakPolarHBondContact O-CG2 3.43Å; H1395-T1399 PolarHBondContact O-N 3.46Å; H1395-T1399 PolarHBondContact O-OG1 3.24Å |
| 1396 | R | 84.5 | Confident | 86.8 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -77.1 | -31.8 | 177.2 | -68.1 | -64.1 | -67.4 | -102.5 | -8 | 113.2 | D1335 Y1392 L1393 D1394 S1400 F1403 | D1335-R1396 IonicContact OD1-CZ 2.66Å; D1335-R1396 IonicContact OD1-NH1 3.34Å; D1335-R1396 PolarHBondContact OD1-NH1 3.21Å; D1335-R1396 IonicContact OD2-CZ 1.91Å; D1335-R1396 IonicContact OD2-NH1 2.77Å; D1335-R1396 PolarHBondContact OD2-NH1 3.01Å; D1335-R1396 IonicContact OD2-NH2 2.66Å; D1335-R1396 PolarHBondContact OD2-NH2 2.9Å; Y1392-R1396 HydrophobicContact CD1-CG 3.9Å; Y1392-R1396 HydrophobicContact CE1-CG 3.5Å; Y1392-R1396 VanDerWaalsContact CE1-CG 3.5Å; Y1392-R1396 WeakPolarHBondContact O-CB 3.26Å; Y1392-R1396 VanDerWaalsContact O-CG 3.29Å; Y1392-R1396 WeakPolarHBondContact O-CG 3.29Å; Y1392-R1396 PolarHBondContact O-N 3.35Å; Y1392-R1396 PolarHBondContact OH-NH1 2.96Å; L1393-R1396 PolarHBondContact O-N 3.43Å; D1394-R1396 VanDerWaalsContact C-N 3.28Å; D1394-R1396 PolarHBondContact O-N 3.09Å; R1396-S1400 VanDerWaalsContact O-CB 3.31Å; R1396-S1400 WeakPolarHBondContact O-CB 3.17Å; R1396-S1400 PolarHBondContact O-N 2.79Å; R1396-F1403 HydrophobicContact CB-CD1 3.76Å; R1396-F1403 HydrophobicContact CB-CD2 4.41Å; R1396-F1403 HydrophobicContact CB-CE1 3.74Å; R1396-F1403 HydrophobicContact CB-CE2 4.38Å; R1396-F1403 HydrophobicContact CB-CG 4.12Å; R1396-F1403 HydrophobicContact CB-CZ 4.06Å; R1396-F1403 WeakPolarHBondContact O-CD1 3.37Å |
| 1397 | L | 87.5 | Confident | 87 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 170.3 | -71.6 | 173 | 0 | 0 | 0 | 111.5 | L1393 D1394 F1403 R1404 H1407 | L1393-L1397 HydrophobicContact CD1-CD1 4.26Å; L1393-L1397 HydrophobicContact CD1-CG 4.25Å; L1393-L1397 HydrophobicContact CG-CD1 4.23Å; L1393-L1397 WeakPolarHBondContact O-CG 3.23Å; L1393-L1397 PolarHBondContact O-N 2.77Å; D1394-L1397 PolarHBondContact O-N 2.96Å; L1397-F1403 HydrophobicContact CD2-CD1 4.01Å; L1397-F1403 HydrophobicContact CD2-CE1 3.8Å; L1397-F1403 HydrophobicContact CG-CD1 4.41Å; L1397-F1403 HydrophobicContact CG-CE1 3.98Å; L1397-R1404 VanDerWaalsContact O-CZ 3.26Å; L1397-R1404 PolarHBondContact O-NE 3.33Å; L1397-R1404 PolarHBondContact O-NH2 3.08Å; L1397-H1407 HydrophobicContact CD2-CB 3.89Å |
| 1398 | T | 82 | Confident | 87.4 | Confident | 79 Ų | 79 | 52 Ų | 52 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73 | -42.9 | 179.9 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | D1394 H1395 R1404 | D1394-T1398 WeakPolarHBondContact O-CB 3.31Å; D1394-T1398 WeakPolarHBondContact O-CG2 3.39Å; D1394-T1398 PolarHBondContact O-N 2.75Å; D1394-T1398 PolarHBondContact O-OG1 3.42Å; H1395-T1398 WeakPolarHBondContact CA-OG1 3.39Å; H1395-T1398 PolarHBondContact O-OG1 3.37Å; T1398-R1404 PolarHBondContact O-NH2 2.94Å |
| 1399 | T | 82.4 | Confident | 87.8 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -87.2 | -32.3 | -176.2 | 58.9 | 0 | 0 | 0 | 0 | 115.8 | H1395 | H1395-T1399 WeakPolarHBondContact O-CB 3.44Å; H1395-T1399 WeakPolarHBondContact O-CG2 3.43Å; H1395-T1399 PolarHBondContact O-N 3.46Å; H1395-T1399 PolarHBondContact O-OG1 3.24Å |
| 1400 | S | 86.7 | Confident | 88 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | trans | -113.4 | 104.5 | -165.5 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | R1396 F1403 R1404 | R1396-S1400 VanDerWaalsContact O-CB 3.31Å; R1396-S1400 WeakPolarHBondContact O-CB 3.17Å; R1396-S1400 PolarHBondContact O-N 2.79Å; S1400-F1403 WeakPolarHBondContact O-CB 3.43Å; S1400-F1403 PolarHBondContact O-N 2.99Å; S1400-F1403 WeakPolarHBondContact OG-CB 3.28Å; S1400-R1404 PolarHBondContact O-N 2.87Å | ||
| 1401 | V | 85.4 | Confident | 88 | Confident | 101 Ų | 101 | 53.4 Ų | 53.4 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.6 | -45 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 113 | F1403 R1404 A1405 | V1401-F1403 VanDerWaalsContact C-N 3.3Å; V1401-F1403 PolarHBondContact O-N 3.21Å; V1401-R1404 PolarHBondContact O-N 3.32Å; V1401-A1405 WeakPolarHBondContact O-CB 3.3Å; V1401-A1405 PolarHBondContact O-N 2.71Å |
| 1402 | P | 88.5 | Confident | 88.3 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 176.8 | -22.9 | 34.8 | 0 | 0 | 0 | 112.9 | A1406 | P1402-A1406 WeakPolarHBondContact O-CB 3.31Å; P1402-A1406 PolarHBondContact O-N 3.18Å |
| 1403 | F | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 176.3 | -178.1 | -89.3 | 0 | 0 | 0 | 111.7 | M1325 L1331 I1339 L1393 R1396 L1397 S1400 V1401 A1405 A1406 H1407 | M1325-F1403 HydrophobicContact CE-CD1 4.46Å; M1325-F1403 HydrophobicContact CE-CD2 3.56Å; M1325-F1403 HydrophobicContact CE-CE1 4.28Å; M1325-F1403 HydrophobicContact CE-CE2 3.35Å; M1325-F1403 HydrophobicContact CE-CG 4.12Å; M1325-F1403 HydrophobicContact CE-CZ 3.74Å; L1331-F1403 HydrophobicContact CD1-CD2 4.48Å; L1331-F1403 HydrophobicContact CD1-CE2 3.74Å; I1339-F1403 HydrophobicContact CD1-CE2 4.01Å; I1339-F1403 HydrophobicContact CD1-CZ 3.77Å; L1393-F1403 HydrophobicContact CD1-CE1 3.73Å; L1393-F1403 HydrophobicContact CD1-CZ 3.62Å; R1396-F1403 HydrophobicContact CB-CD1 3.76Å; R1396-F1403 HydrophobicContact CB-CD2 4.41Å; R1396-F1403 HydrophobicContact CB-CE1 3.74Å; R1396-F1403 HydrophobicContact CB-CE2 4.38Å; R1396-F1403 HydrophobicContact CB-CG 4.12Å; R1396-F1403 HydrophobicContact CB-CZ 4.06Å; R1396-F1403 WeakPolarHBondContact O-CD1 3.37Å; L1397-F1403 HydrophobicContact CD2-CD1 4.01Å; L1397-F1403 HydrophobicContact CD2-CE1 3.8Å; L1397-F1403 HydrophobicContact CG-CD1 4.41Å; L1397-F1403 HydrophobicContact CG-CE1 3.98Å; S1400-F1403 WeakPolarHBondContact O-CB 3.43Å; S1400-F1403 PolarHBondContact O-N 2.99Å; S1400-F1403 WeakPolarHBondContact OG-CB 3.28Å; V1401-F1403 VanDerWaalsContact C-N 3.3Å; V1401-F1403 PolarHBondContact O-N 3.21Å; F1403-A1405 VanDerWaalsContact C-N 3.33Å; F1403-A1405 PolarHBondContact O-N 3.49Å; F1403-A1406 PolarHBondContact O-N 2.91Å; F1403-H1407 WeakPolarHBondContact O-CB 3.22Å; F1403-H1407 PolarHBondContact O-N 2.79Å |
| 1404 | R | 91.8 | Very high | 88.3 | Confident | 108 Ų | 108 | 55 Ų | 55 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 175.6 | -169.7 | -171 | -58.6 | 171.9 | 5.1 | 111.7 | L1397 T1398 S1400 V1401 A1408 | L1397-R1404 VanDerWaalsContact O-CZ 3.26Å; L1397-R1404 PolarHBondContact O-NE 3.33Å; L1397-R1404 PolarHBondContact O-NH2 3.08Å; T1398-R1404 PolarHBondContact O-NH2 2.94Å; S1400-R1404 PolarHBondContact O-N 2.87Å; V1401-R1404 PolarHBondContact O-N 3.32Å; R1404-A1408 WeakPolarHBondContact O-CB 3.27Å; R1404-A1408 PolarHBondContact O-N 3.06Å |
| 1405 | A | 89.4 | Confident | 88.3 | Confident | 42 Ų | 42 | 57 Ų | 57 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1401 F1403 R1409 | V1401-A1405 WeakPolarHBondContact O-CB 3.3Å; V1401-A1405 PolarHBondContact O-N 2.71Å; F1403-A1405 VanDerWaalsContact C-N 3.33Å; F1403-A1405 PolarHBondContact O-N 3.49Å; A1405-R1409 PolarHBondContact O-N 2.74Å; A1405-R1409 VanDerWaalsContact O-N 3.14Å; A1405-R1409 PolarHBondContact O-NH1 2.67Å |
| 1406 | A | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | M1325 E1328 S1330 P1402 F1403 A1408 R1409 C1410 | M1325-A1406 HydrophobicContact CE-CB 4.1Å; M1325-A1406 HydrophobicContact CG-CB 4.14Å; E1328-A1406 WeakPolarHBondContact OE2-CB 3.42Å; S1330-A1406 VanDerWaalsContact OG-CB 3.24Å; S1330-A1406 WeakPolarHBondContact OG-CB 3.38Å; P1402-A1406 WeakPolarHBondContact O-CB 3.31Å; P1402-A1406 PolarHBondContact O-N 3.18Å; F1403-A1406 PolarHBondContact O-N 2.91Å; A1406-A1408 VanDerWaalsContact C-N 3.34Å; A1406-A1408 PolarHBondContact O-N 2.92Å; A1406-R1409 WeakPolarHBondContact O-CB 3.39Å; A1406-R1409 PolarHBondContact O-N 2.84Å; A1406-C1410 PolarHBondContact O-N 2.95Å; A1406-C1410 PolarHBondContact O-SG 2.82Å |
| 1407 | H | 93.2 | Very high | 88.7 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 175.1 | 177.1 | -87.4 | 0 | 0 | 0 | 111.5 | M1325 L1397 F1403 R1409 C1410 C1411 P1420 | M1325-H1407 HydrophobicContact CE-CB 4.07Å; L1397-H1407 HydrophobicContact CD2-CB 3.89Å; F1403-H1407 WeakPolarHBondContact O-CB 3.22Å; F1403-H1407 PolarHBondContact O-N 2.79Å; H1407-R1409 PolarHBondContact O-N 3.36Å; H1407-C1410 WeakPolarHBondContact O-CB 3.46Å; H1407-C1410 PolarHBondContact O-N 2.65Å; H1407-C1410 VanDerWaalsContact O-N 3.08Å; H1407-C1411 PolarHBondContact NE2-SG 3.46Å; H1407-C1411 VanDerWaalsContact NE2-SG 3.4Å; H1407-C1411 PolarHBondContact O-N 3.2Å; H1407-C1411 PolarHBondContact O-SG 2.89Å; H1407-P1420 WeakPolarHBondContact NE2-CB 3.47Å |
| 1408 | A | 90.9 | Very high | 88.4 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1404 A1406 C1410 C1411 S1412 | R1404-A1408 WeakPolarHBondContact O-CB 3.27Å; R1404-A1408 PolarHBondContact O-N 3.06Å; A1406-A1408 VanDerWaalsContact C-N 3.34Å; A1406-A1408 PolarHBondContact O-N 2.92Å; A1408-C1410 VanDerWaalsContact C-N 3.31Å; A1408-C1410 PolarHBondContact O-N 3.32Å; A1408-C1411 PolarHBondContact O-N 2.91Å; A1408-S1412 PolarHBondContact O-N 2.98Å |
| 1409 | R | 90.9 | Very high | 88.7 | Confident | 123 Ų | 123 | 54.8 Ų | 54.8 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 171.4 | -74.8 | -169.3 | -66.2 | -77 | 2.3 | 112.7 | E1328 A1405 A1406 H1407 S1412 | E1328-R1409 IonicContact OE1-CZ 3.36Å; E1328-R1409 IonicContact OE1-NE 2.72Å; E1328-R1409 PolarHBondContact OE1-NE 2.88Å; E1328-R1409 IonicContact OE1-NH2 2.59Å; E1328-R1409 PolarHBondContact OE1-NH2 2.93Å; E1328-R1409 IonicContact OE2-CZ 2.66Å; E1328-R1409 IonicContact OE2-NE 3.12Å; E1328-R1409 IonicContact OE2-NH2 3.92Å; E1328-R1409 PolarHBondContact OE2-NH2 3.47Å; A1405-R1409 PolarHBondContact O-N 2.74Å; A1405-R1409 VanDerWaalsContact O-N 3.14Å; A1405-R1409 PolarHBondContact O-NH1 2.67Å; A1406-R1409 WeakPolarHBondContact O-CB 3.39Å; A1406-R1409 PolarHBondContact O-N 2.84Å; H1407-R1409 PolarHBondContact O-N 3.36Å; R1409-S1412 PolarHBondContact O-N 3.37Å; R1409-S1412 PolarHBondContact O-OG 2.92Å |
| 1410 | C | 92.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 178 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | V1320 F1321 A1406 H1407 A1408 S1412 H1413 A1416 | V1320-C1410 HydrophobicContact CG1-CB 4.41Å; V1320-C1410 WeakPolarHBondContact CG1-O 3.41Å; V1320-C1410 PolarHBondContact O-SG 2.97Å; F1321-C1410 HydrophobicContact CB-CB 4.48Å; F1321-C1410 HydrophobicContact CD1-CB 3.28Å; F1321-C1410 HydrophobicContact CD2-CB 4.38Å; F1321-C1410 HydrophobicContact CE1-CB 3.44Å; F1321-C1410 VanDerWaalsContact CE1-CB 3.44Å; F1321-C1410 HydrophobicContact CG-CB 3.8Å; F1321-C1410 HydrophobicContact CZ-CB 4.08Å; A1406-C1410 PolarHBondContact O-N 2.95Å; A1406-C1410 PolarHBondContact O-SG 2.82Å; H1407-C1410 WeakPolarHBondContact O-CB 3.46Å; H1407-C1410 PolarHBondContact O-N 2.65Å; H1407-C1410 VanDerWaalsContact O-N 3.08Å; A1408-C1410 VanDerWaalsContact C-N 3.31Å; A1408-C1410 PolarHBondContact O-N 3.32Å; C1410-S1412 VanDerWaalsContact C-N 3.33Å; C1410-S1412 PolarHBondContact O-N 2.8Å; C1410-H1413 WeakPolarHBondContact O-CB 3.37Å; C1410-H1413 PolarHBondContact O-N 3.19Å; C1410-A1416 WeakPolarHBondContact O-CB 3.34Å |
| 1411 | C | 91.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.4 | -27.3 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | H1407 A1408 H1413 G1418 | H1407-C1411 PolarHBondContact NE2-SG 3.46Å; H1407-C1411 VanDerWaalsContact NE2-SG 3.4Å; H1407-C1411 PolarHBondContact O-N 3.2Å; H1407-C1411 PolarHBondContact O-SG 2.89Å; A1408-C1411 PolarHBondContact O-N 2.91Å; C1411-H1413 VanDerWaalsContact C-N 3.33Å; C1411-G1418 WeakPolarHBondContact O-CA 3.39Å |
| 1412 | S | 87.6 | Confident | 89.8 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -80.1 | -13.3 | 177.3 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | N1080 A1408 R1409 C1410 | N1080-S1412 VanDerWaalsContact CA-CB 3.5Å; N1080-S1412 WeakPolarHBondContact O-CB 3.14Å; A1408-S1412 PolarHBondContact O-N 2.98Å; R1409-S1412 PolarHBondContact O-N 3.37Å; R1409-S1412 PolarHBondContact O-OG 2.92Å; C1410-S1412 VanDerWaalsContact C-N 3.33Å; C1410-S1412 PolarHBondContact O-N 2.8Å |
| 1413 | H | 90.3 | Very high | 90 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -64.5 | 136.2 | -180 | -172.8 | -81.9 | 0 | 0 | 0 | 111.5 | Y1038 V1320 C1410 C1411 K1415 A1416 | Y1038-H1413 PolarHBondContact OH-O 2.67Å; V1320-H1413 HydrophobicContact CG1-CB 3.55Å; C1410-H1413 WeakPolarHBondContact O-CB 3.37Å; C1410-H1413 PolarHBondContact O-N 3.19Å; C1411-H1413 VanDerWaalsContact C-N 3.33Å; H1413-K1415 VanDerWaalsContact C-N 3.32Å; H1413-K1415 PolarHBondContact ND1-N 2.99Å; H1413-K1415 PolarHBondContact O-N 2.93Å; H1413-K1415 VanDerWaalsContact O-N 3.16Å; H1413-A1416 WeakPolarHBondContact O-CB 3.49Å; H1413-A1416 PolarHBondContact O-N 3.08Å |
| 1414 | S | 87.1 | Confident | 90.2 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -47.8 | -49.2 | -174.7 | 56.8 | 0 | 0 | 0 | 0 | 114 | Y1038 A1416 R1417 | Y1038-S1414 VanDerWaalsContact OH-CA 3.31Å; Y1038-S1414 WeakPolarHBondContact OH-CA 3.43Å; Y1038-S1414 PolarHBondContact OH-O 3.13Å; S1414-A1416 VanDerWaalsContact C-N 3.26Å; S1414-A1416 PolarHBondContact O-N 2.8Å; S1414-R1417 PolarHBondContact O-N 2.83Å; S1414-R1417 VanDerWaalsContact O-N 3.15Å |
| 1415 | K | 87.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -65.9 | -20.8 | 179.5 | -58.9 | -173.3 | 176.4 | -171.8 | 0 | 114.7 | M1316 V1320 H1413 R1417 | M1316-K1415 HydrophobicContact CG-CB 3.51Å; M1316-K1415 WeakPolarHBondContact CG-O 3.36Å; M1316-K1415 HydrophobicContact SD-CB 4.42Å; V1320-K1415 HydrophobicContact CG2-CB 4.31Å; H1413-K1415 VanDerWaalsContact C-N 3.32Å; H1413-K1415 PolarHBondContact ND1-N 2.99Å; H1413-K1415 PolarHBondContact O-N 2.93Å; H1413-K1415 VanDerWaalsContact O-N 3.16Å; K1415-R1417 VanDerWaalsContact C-N 3.25Å; K1415-R1417 PolarHBondContact O-N 3Å |
| 1416 | A | 86.5 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -77.7 | -9.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1316 V1320 F1321 C1410 H1413 S1414 G1418 L1419 F1424 | M1316-A1416 HydrophobicContact SD-CB 4.24Å; V1320-A1416 HydrophobicContact CG1-CB 4.38Å; F1321-A1416 HydrophobicContact CE2-CB 3.92Å; F1321-A1416 HydrophobicContact CZ-CB 4.07Å; C1410-A1416 WeakPolarHBondContact O-CB 3.34Å; H1413-A1416 WeakPolarHBondContact O-CB 3.49Å; H1413-A1416 PolarHBondContact O-N 3.08Å; S1414-A1416 VanDerWaalsContact C-N 3.26Å; S1414-A1416 PolarHBondContact O-N 2.8Å; A1416-G1418 PolarHBondContact O-N 3.07Å; A1416-G1418 VanDerWaalsContact O-N 3.12Å; A1416-L1419 WeakPolarHBondContact O-CB 3.26Å; A1416-L1419 PolarHBondContact O-N 3.13Å; A1416-F1424 WeakPolarHBondContact O-CZ 3.38Å |
| 1417 | R | 89.5 | Confident | 90.6 | Very high | 128 Ų | 128 | 49.7 Ų | 49.7 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 28.6 | 176.2 | -61 | 175.7 | -79.3 | 158.5 | -4.3 | 113.6 | D1313 S1414 K1415 L1419 | D1313-R1417 IonicContact OD1-CZ 3.5Å; D1313-R1417 IonicContact OD1-NH2 3.06Å; D1313-R1417 PolarHBondContact OD1-NH2 3.47Å; D1313-R1417 IonicContact OD2-CZ 2.7Å; D1313-R1417 IonicContact OD2-NH2 3.44Å; D1313-R1417 PolarHBondContact OD2-NH2 3.26Å; S1414-R1417 PolarHBondContact O-N 2.83Å; S1414-R1417 VanDerWaalsContact O-N 3.15Å; K1415-R1417 VanDerWaalsContact C-N 3.25Å; K1415-R1417 PolarHBondContact O-N 3Å; R1417-L1419 HydrophobicContact CB-CD1 4.37Å; R1417-L1419 PolarHBondContact O-N 3.37Å |
| 1418 | G | 81 | Confident | 90.7 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -2.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C1411 A1416 | C1411-G1418 WeakPolarHBondContact O-CA 3.39Å; A1416-G1418 PolarHBondContact O-N 3.07Å; A1416-G1418 VanDerWaalsContact O-N 3.12Å |
| 1419 | L | 88.5 | Confident | 90.8 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | trans | -85.1 | 141 | -172.1 | -65.5 | 165.2 | 0 | 0 | 0 | 111.9 | A1416 R1417 Y1423 F1424 | A1416-L1419 WeakPolarHBondContact O-CB 3.26Å; A1416-L1419 PolarHBondContact O-N 3.13Å; R1417-L1419 HydrophobicContact CB-CD1 4.37Å; R1417-L1419 PolarHBondContact O-N 3.37Å; L1419-Y1423 HydrophobicContact CB-CD1 4.2Å; L1419-Y1423 HydrophobicContact CD1-CD1 3.91Å; L1419-Y1423 HydrophobicContact CD1-CE1 3.71Å; L1419-Y1423 HydrophobicContact CG-CD1 4.46Å; L1419-F1424 HydrophobicContact CB-CD2 4.45Å; L1419-F1424 HydrophobicContact CB-CE2 3.57Å; L1419-F1424 HydrophobicContact CB-CZ 3.84Å; L1419-F1424 HydrophobicContact CD1-CZ 4.16Å; L1419-F1424 WeakPolarHBondContact O-CE2 3.19Å | ||
| 1420 | P | 91.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 29% | 0.286 | 24% | 0.241 | S | C | . | . | trans | -79.8 | 158.1 | -179.4 | 32.5 | -36.4 | 0 | 0 | 0 | 113.4 | H1407 N1422 Y1423 | H1407-P1420 WeakPolarHBondContact NE2-CB 3.47Å; P1420-N1422 VanDerWaalsContact C-N 3.26Å; P1420-N1422 VanDerWaalsContact CB-OD1 3.25Å; P1420-N1422 WeakPolarHBondContact CB-OD1 3.41Å; P1420-N1422 WeakPolarHBondContact CG-OD1 3.33Å; P1420-N1422 PolarHBondContact O-N 3.24Å; P1420-Y1423 WeakPolarHBondContact O-CB 3.47Å; P1420-Y1423 PolarHBondContact O-N 3.06Å | ||
| 1421 | L | 94.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -34.7 | -173.5 | -179.7 | 57.2 | 0 | 0 | 0 | 113.6 | V1317 F1321 I1339 F1340 L1393 Y1423 F1424 L1425 | V1317-L1421 HydrophobicContact CG1-CD1 3.92Å; F1321-L1421 HydrophobicContact CB-CD1 4.1Å; F1321-L1421 HydrophobicContact CB-CD2 4.5Å; F1321-L1421 HydrophobicContact CD1-CB 3.83Å; F1321-L1421 HydrophobicContact CD1-CD1 4.08Å; F1321-L1421 HydrophobicContact CD1-CD2 4.25Å; F1321-L1421 HydrophobicContact CD1-CG 4.27Å; F1321-L1421 HydrophobicContact CD2-CD1 4.4Å; F1321-L1421 HydrophobicContact CE1-CB 3.84Å; F1321-L1421 HydrophobicContact CG-CD1 3.95Å; I1339-L1421 HydrophobicContact CG2-CD2 4.15Å; F1340-L1421 HydrophobicContact CE1-CD1 3.88Å; F1340-L1421 HydrophobicContact CE1-CD2 4.34Å; F1340-L1421 HydrophobicContact CZ-CD1 4.11Å; F1340-L1421 HydrophobicContact CZ-CD2 3.8Å; L1393-L1421 HydrophobicContact CD1-CD2 4.12Å; L1393-L1421 HydrophobicContact CD2-CB 4.24Å; L1393-L1421 HydrophobicContact CD2-CD2 4.32Å; L1393-L1421 HydrophobicContact CD2-CG 4.14Å; L1421-Y1423 VanDerWaalsContact C-N 3.28Å; L1421-Y1423 PolarHBondContact O-N 2.94Å; L1421-F1424 PolarHBondContact O-N 2.82Å; L1421-F1424 VanDerWaalsContact O-N 3.11Å; L1421-L1425 HydrophobicContact CD1-CG 4.29Å; L1421-L1425 HydrophobicContact CG-CD1 4.23Å; L1421-L1425 HydrophobicContact CG-CG 4.29Å; L1421-L1425 WeakPolarHBondContact O-CG 3.28Å; L1421-L1425 PolarHBondContact O-N 2.82Å |
| 1422 | N | 91 | Very high | 91 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 39% | 0.39 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -31.5 | 177.6 | 63.6 | -38.2 | 0 | 0 | 0 | 113 | L1390 L1393 P1420 L1426 | L1390-N1422 HydrophobicContact CD2-CB 3.82Å; L1393-N1422 HydrophobicContact CD2-CB 3.88Å; P1420-N1422 VanDerWaalsContact C-N 3.26Å; P1420-N1422 VanDerWaalsContact CB-OD1 3.25Å; P1420-N1422 WeakPolarHBondContact CB-OD1 3.41Å; P1420-N1422 WeakPolarHBondContact CG-OD1 3.33Å; P1420-N1422 PolarHBondContact O-N 3.24Å; N1422-L1426 WeakPolarHBondContact O-CG 3.08Å |
| 1423 | Y | 92.6 | Very high | 91.2 | Very high | 112 Ų | 112 | 48.6 Ų | 48.6 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 170.9 | 172.9 | -90.5 | 0 | 0 | 0 | 110.5 | L1419 P1420 L1421 L1425 L1426 I1427 | L1419-Y1423 HydrophobicContact CB-CD1 4.2Å; L1419-Y1423 HydrophobicContact CD1-CD1 3.91Å; L1419-Y1423 HydrophobicContact CD1-CE1 3.71Å; L1419-Y1423 HydrophobicContact CG-CD1 4.46Å; P1420-Y1423 WeakPolarHBondContact O-CB 3.47Å; P1420-Y1423 PolarHBondContact O-N 3.06Å; L1421-Y1423 VanDerWaalsContact C-N 3.28Å; L1421-Y1423 PolarHBondContact O-N 2.94Å; Y1423-L1425 VanDerWaalsContact C-N 3.35Å; Y1423-L1425 PolarHBondContact O-N 3.34Å; Y1423-L1426 WeakPolarHBondContact O-CB 3.26Å; Y1423-L1426 PolarHBondContact O-N 2.91Å; Y1423-L1426 VanDerWaalsContact O-N 3.11Å; Y1423-I1427 HydrophobicContact CD1-CD1 4.28Å; Y1423-I1427 HydrophobicContact CE1-CD1 3.84Å; Y1423-I1427 HydrophobicContact CE1-CG1 4.28Å |
| 1424 | F | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -36.4 | -177.4 | -73.1 | -71.3 | 0 | 0 | 0 | 113.4 | M1316 V1317 F1321 A1416 L1419 L1421 L1426 I1427 | M1316-F1424 HydrophobicContact CE-CD1 3.69Å; M1316-F1424 HydrophobicContact CE-CD2 4.11Å; M1316-F1424 HydrophobicContact CE-CE1 3.26Å; M1316-F1424 HydrophobicContact CE-CE2 3.69Å; M1316-F1424 HydrophobicContact CE-CG 4.12Å; M1316-F1424 HydrophobicContact CE-CZ 3.27Å; V1317-F1424 HydrophobicContact CG2-CB 3.48Å; V1317-F1424 VanDerWaalsContact CG2-CB 3.48Å; V1317-F1424 HydrophobicContact CG2-CD1 3.83Å; V1317-F1424 HydrophobicContact CG2-CD2 4.45Å; V1317-F1424 HydrophobicContact CG2-CG 3.67Å; F1321-F1424 HydrophobicContact CE2-CD2 4.24Å; F1321-F1424 HydrophobicContact CE2-CE2 4.31Å; F1321-F1424 HydrophobicContact CZ-CD2 4.44Å; F1321-F1424 HydrophobicContact CZ-CE2 4.5Å; A1416-F1424 WeakPolarHBondContact O-CZ 3.38Å; L1419-F1424 HydrophobicContact CB-CD2 4.45Å; L1419-F1424 HydrophobicContact CB-CE2 3.57Å; L1419-F1424 HydrophobicContact CB-CZ 3.84Å; L1419-F1424 HydrophobicContact CD1-CZ 4.16Å; L1419-F1424 WeakPolarHBondContact O-CE2 3.19Å; L1421-F1424 PolarHBondContact O-N 2.82Å; L1421-F1424 VanDerWaalsContact O-N 3.11Å; F1424-L1426 PolarHBondContact O-N 2.74Å; F1424-I1427 HydrophobicContact CD1-CD1 3.59Å; F1424-I1427 HydrophobicContact CE1-CD1 4.18Å; F1424-I1427 HydrophobicContact CG-CD1 4.45Å; F1424-I1427 WeakPolarHBondContact O-CB 3.46Å; F1424-I1427 WeakPolarHBondContact O-CG1 3.46Å; F1424-I1427 PolarHBondContact O-N 3.47Å; F1424-I1427 VanDerWaalsContact O-N 3.12Å |
| 1425 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -21 | 175.1 | -67.9 | 174.8 | 0 | 0 | 0 | 113.3 | I1339 F1340 W1343 F1382 L1386 L1390 L1393 L1421 Y1423 | I1339-L1425 HydrophobicContact CG2-CD1 4.01Å; F1340-L1425 HydrophobicContact CD1-CD2 4.35Å; W1343-L1425 HydrophobicContact CE3-CD2 4.21Å; W1343-L1425 HydrophobicContact CH2-CD2 4.46Å; W1343-L1425 HydrophobicContact CZ3-CD2 3.8Å; F1382-L1425 WeakPolarHBondContact CE1-O 3.24Å; F1382-L1425 HydrophobicContact CZ-CD2 4.36Å; F1382-L1425 VanDerWaalsContact CZ-O 3.27Å; F1382-L1425 WeakPolarHBondContact CZ-O 2.87Å; L1386-L1425 HydrophobicContact CD1-CB 4.16Å; L1386-L1425 VanDerWaalsContact CD1-O 3.28Å; L1386-L1425 WeakPolarHBondContact CD1-O 3.42Å; L1390-L1425 HydrophobicContact CD2-CB 4.21Å; L1390-L1425 HydrophobicContact CD2-CD1 4.2Å; L1393-L1425 HydrophobicContact CD2-CD1 3.79Å; L1421-L1425 HydrophobicContact CD1-CG 4.29Å; L1421-L1425 HydrophobicContact CG-CD1 4.23Å; L1421-L1425 HydrophobicContact CG-CG 4.29Å; L1421-L1425 WeakPolarHBondContact O-CG 3.28Å; L1421-L1425 PolarHBondContact O-N 2.82Å; Y1423-L1425 VanDerWaalsContact C-N 3.35Å; Y1423-L1425 PolarHBondContact O-N 3.34Å |
| 1426 | L | 92.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 40 Ų | 40 | 41% | 0.414 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -81.5 | -17.7 | 175.7 | -64.5 | 170 | 0 | 0 | 0 | 113.5 | L1386 L1390 N1422 Y1423 F1424 T1430 | L1386-L1426 HydrophobicContact CD2-CD2 4.28Å; L1390-L1426 HydrophobicContact CD1-CD2 3.84Å; N1422-L1426 WeakPolarHBondContact O-CG 3.08Å; Y1423-L1426 WeakPolarHBondContact O-CB 3.26Å; Y1423-L1426 PolarHBondContact O-N 2.91Å; Y1423-L1426 VanDerWaalsContact O-N 3.11Å; F1424-L1426 PolarHBondContact O-N 2.74Å; L1426-T1430 WeakPolarHBondContact O-CB 3.18Å; L1426-T1430 PolarHBondContact O-N 2.9Å; L1426-T1430 VanDerWaalsContact O-N 3.14Å; L1426-T1430 PolarHBondContact O-OG1 3.15Å |
| 1427 | I | 93.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.138 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | -172.6 | -55.6 | 179.7 | 0 | 0 | 0 | 113.1 | Y1310 Y1423 F1424 M1429 T1430 R1431 | Y1310-I1427 HydrophobicContact CD2-CG2 3.63Å; Y1310-I1427 HydrophobicContact CE2-CG2 3.86Å; Y1423-I1427 HydrophobicContact CD1-CD1 4.28Å; Y1423-I1427 HydrophobicContact CE1-CD1 3.84Å; Y1423-I1427 HydrophobicContact CE1-CG1 4.28Å; F1424-I1427 HydrophobicContact CD1-CD1 3.59Å; F1424-I1427 HydrophobicContact CE1-CD1 4.18Å; F1424-I1427 HydrophobicContact CG-CD1 4.45Å; F1424-I1427 WeakPolarHBondContact O-CB 3.46Å; F1424-I1427 WeakPolarHBondContact O-CG1 3.46Å; F1424-I1427 PolarHBondContact O-N 3.47Å; F1424-I1427 VanDerWaalsContact O-N 3.12Å; I1427-M1429 PolarHBondContact O-N 3.25Å; I1427-T1430 CarbonylContact O-C 3.47Å; I1427-T1430 WeakPolarHBondContact O-CA 3.35Å; I1427-T1430 WeakPolarHBondContact O-CB 3.41Å; I1427-T1430 PolarHBondContact O-N 2.97Å; I1427-R1431 PolarHBondContact O-N 3.15Å |
| 1428 | P | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | -178.1 | -25.9 | 34.6 | 0 | 0 | 0 | 113.8 | Y1310 L1314 W1343 L1346 F1379 F1382 T1430 R1431 F1432 | Y1310-P1428 WeakPolarHBondContact OH-CA 3.27Å; L1314-P1428 HydrophobicContact CD2-CG 4.05Å; W1343-P1428 HydrophobicContact CH2-CG 3.82Å; W1343-P1428 HydrophobicContact CZ3-CG 3.65Å; L1346-P1428 HydrophobicContact CD1-CB 3.89Å; L1346-P1428 HydrophobicContact CD1-CG 3.85Å; F1379-P1428 HydrophobicContact CD1-CB 4.34Å; F1379-P1428 HydrophobicContact CE1-CB 4.37Å; F1382-P1428 HydrophobicContact CD1-CB 3.86Å; F1382-P1428 HydrophobicContact CD1-CG 4.2Å; F1382-P1428 HydrophobicContact CE1-CB 3.86Å; F1382-P1428 HydrophobicContact CE1-CG 3.76Å; F1382-P1428 HydrophobicContact CZ-CG 4.11Å; P1428-T1430 VanDerWaalsContact C-N 3.35Å; P1428-R1431 PolarHBondContact O-N 3.29Å; P1428-F1432 VanDerWaalsContact O-CB 3.3Å; P1428-F1432 WeakPolarHBondContact O-CB 3.33Å; P1428-F1432 PolarHBondContact O-N 3.15Å |
| 1429 | M | 92.7 | Very high | 93.2 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 18% | 0.177 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.6 | -34 | 175.2 | -73 | -54.3 | -59 | 0 | 0 | 112.2 | F1382 G1383 L1386 I1427 R1431 F1432 T1433 V1470 | F1382-M1429 HydrophobicContact CD1-CG 4.29Å; G1383-M1429 VanDerWaalsContact CA-SD 3.52Å; L1386-M1429 HydrophobicContact CD2-CB 4.19Å; L1386-M1429 HydrophobicContact CD2-CG 3.68Å; I1427-M1429 PolarHBondContact O-N 3.25Å; M1429-R1431 VanDerWaalsContact C-N 3.33Å; M1429-F1432 HydrophobicContact CE-CD1 3.99Å; M1429-F1432 HydrophobicContact SD-CD1 4.35Å; M1429-T1433 WeakPolarHBondContact O-CB 3.49Å; M1429-T1433 WeakPolarHBondContact O-CG2 3.38Å; M1429-T1433 PolarHBondContact O-N 3.35Å; M1429-T1433 VanDerWaalsContact O-N 3.09Å; M1429-T1433 PolarHBondContact O-OG1 3.23Å; M1429-V1470 HydrophobicContact CE-CG1 3.71Å; M1429-V1470 HydrophobicContact SD-CG1 4.31Å |
| 1430 | T | 90 | Very high | 93.5 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.1 | -29.4 | 174.8 | -55 | 0 | 0 | 0 | 0 | 112.6 | L1426 I1427 P1428 K1434 | L1426-T1430 WeakPolarHBondContact O-CB 3.18Å; L1426-T1430 PolarHBondContact O-N 2.9Å; L1426-T1430 VanDerWaalsContact O-N 3.14Å; L1426-T1430 PolarHBondContact O-OG1 3.15Å; I1427-T1430 CarbonylContact O-C 3.47Å; I1427-T1430 WeakPolarHBondContact O-CA 3.35Å; I1427-T1430 WeakPolarHBondContact O-CB 3.41Å; I1427-T1430 PolarHBondContact O-N 2.97Å; P1428-T1430 VanDerWaalsContact C-N 3.35Å; T1430-K1434 VanDerWaalsContact O-CD 3.26Å; T1430-K1434 WeakPolarHBondContact O-CD 3.33Å; T1430-K1434 WeakPolarHBondContact O-CG 3.11Å |
| 1431 | R | 95.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.9 | -46.9 | 173.4 | -177.4 | 57.8 | 171.9 | -177.6 | -3.5 | 111.5 | L1303 S1306 E1307 Y1310 I1427 P1428 M1429 T1433 K1434 Y1435 | L1303-R1431 PolarHBondContact O-NH2 3.41Å; S1306-R1431 VanDerWaalsContact CB-NH1 3.34Å; S1306-R1431 PolarHBondContact OG-NH1 2.8Å; S1306-R1431 PolarHBondContact OG-NH2 3.48Å; E1307-R1431 VanDerWaalsContact N-NH2 3.14Å; E1307-R1431 IonicContact OE2-CZ 2.67Å; E1307-R1431 IonicContact OE2-NE 2.68Å; E1307-R1431 PolarHBondContact OE2-NE 2.9Å; E1307-R1431 IonicContact OE2-NH2 3.21Å; E1307-R1431 PolarHBondContact OE2-NH2 3.27Å; Y1310-R1431 HydrophobicContact CD1-CB 4.34Å; Y1310-R1431 HydrophobicContact CD1-CG 3.72Å; Y1310-R1431 HydrophobicContact CD2-CB 4.14Å; Y1310-R1431 HydrophobicContact CD2-CG 4.32Å; Y1310-R1431 HydrophobicContact CE1-CB 4.26Å; Y1310-R1431 HydrophobicContact CE1-CG 3.89Å; Y1310-R1431 HydrophobicContact CE2-CB 4.07Å; Y1310-R1431 HydrophobicContact CE2-CG 4.48Å; Y1310-R1431 HydrophobicContact CG-CB 4.28Å; Y1310-R1431 HydrophobicContact CG-CG 3.95Å; I1427-R1431 PolarHBondContact O-N 3.15Å; P1428-R1431 PolarHBondContact O-N 3.29Å; M1429-R1431 VanDerWaalsContact C-N 3.33Å; R1431-T1433 VanDerWaalsContact C-N 3.35Å; R1431-T1433 PolarHBondContact O-N 3.12Å; R1431-K1434 WeakPolarHBondContact O-CA 3.47Å; R1431-K1434 WeakPolarHBondContact O-CB 3.46Å; R1431-K1434 PolarHBondContact O-N 3.26Å; R1431-Y1435 HydrophobicContact CG-CE1 4.07Å; R1431-Y1435 PolarHBondContact O-N 2.9Å |
| 1432 | F | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.2 | -48.6 | 179.1 | 177.9 | -117.4 | 0 | 0 | 0 | 112.5 | F1376 F1379 P1428 M1429 K1434 Y1435 L1463 L1466 C1467 V1470 | F1376-F1432 HydrophobicContact CB-CE2 4.45Å; F1376-F1432 HydrophobicContact CD2-CD2 4.24Å; F1376-F1432 HydrophobicContact CD2-CE2 4.08Å; F1379-F1432 HydrophobicContact CB-CB 4.32Å; F1379-F1432 HydrophobicContact CB-CD1 4.35Å; F1379-F1432 HydrophobicContact CB-CD2 3.85Å; F1379-F1432 HydrophobicContact CB-CE2 4.28Å; F1379-F1432 HydrophobicContact CB-CG 3.91Å; F1379-F1432 HydrophobicContact CD1-CB 3.67Å; F1379-F1432 HydrophobicContact CD1-CD2 4.3Å; F1379-F1432 HydrophobicContact CD1-CG 4.16Å; F1379-F1432 HydrophobicContact CD2-CD2 4.19Å; F1379-F1432 HydrophobicContact CE1-CB 4.14Å; F1379-F1432 HydrophobicContact CG-CB 4.11Å; F1379-F1432 AromaticContact CG-CD2 3.88Å; F1379-F1432 HydrophobicContact CG-CD2 3.88Å; F1379-F1432 HydrophobicContact CG-CG 4.09Å; P1428-F1432 VanDerWaalsContact O-CB 3.3Å; P1428-F1432 WeakPolarHBondContact O-CB 3.33Å; P1428-F1432 PolarHBondContact O-N 3.15Å; M1429-F1432 HydrophobicContact CE-CD1 3.99Å; M1429-F1432 HydrophobicContact SD-CD1 4.35Å; F1432-K1434 PolarHBondContact O-N 3.1Å; F1432-Y1435 HydrophobicContact CD2-CD2 4.21Å; F1432-Y1435 HydrophobicContact CD2-CE2 4.39Å; F1432-Y1435 WeakPolarHBondContact O-CD2 3.31Å; F1432-Y1435 PolarHBondContact O-N 2.93Å; F1432-L1463 HydrophobicContact CE2-CD2 4.38Å; F1432-L1466 HydrophobicContact CE2-CD2 3.94Å; F1432-L1466 HydrophobicContact CE2-CG 4.42Å; F1432-L1466 HydrophobicContact CZ-CB 4.14Å; F1432-L1466 HydrophobicContact CZ-CD2 3.84Å; F1432-L1466 HydrophobicContact CZ-CG 3.81Å; F1432-C1467 HydrophobicContact CE1-CB 4.4Å; F1432-C1467 VanDerWaalsContact CE1-SG 3.6Å; F1432-V1470 HydrophobicContact CE1-CB 4.45Å; F1432-V1470 HydrophobicContact CE1-CG2 4.07Å |
| 1433 | T | 91.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 38 Ų | 38 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | M1429 R1431 | M1429-T1433 WeakPolarHBondContact O-CB 3.49Å; M1429-T1433 WeakPolarHBondContact O-CG2 3.38Å; M1429-T1433 PolarHBondContact O-N 3.35Å; M1429-T1433 VanDerWaalsContact O-N 3.09Å; M1429-T1433 PolarHBondContact O-OG1 3.23Å; R1431-T1433 VanDerWaalsContact C-N 3.35Å; R1431-T1433 PolarHBondContact O-N 3.12Å |
| 1434 | K | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 38.8 Ų | 38.8 | 46% | 0.457 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -21.9 | 174.9 | -75.6 | 175.6 | -175.4 | -176.8 | 0 | 113.8 | T1430 R1431 F1432 L1437 V1438 | T1430-K1434 VanDerWaalsContact O-CD 3.26Å; T1430-K1434 WeakPolarHBondContact O-CD 3.33Å; T1430-K1434 WeakPolarHBondContact O-CG 3.11Å; R1431-K1434 WeakPolarHBondContact O-CA 3.47Å; R1431-K1434 WeakPolarHBondContact O-CB 3.46Å; R1431-K1434 PolarHBondContact O-N 3.26Å; F1432-K1434 PolarHBondContact O-N 3.1Å; K1434-L1437 WeakPolarHBondContact O-CA 3.27Å; K1434-L1437 WeakPolarHBondContact O-CB 3.46Å; K1434-L1437 PolarHBondContact O-N 3.4Å; K1434-V1438 PolarHBondContact O-N 3.19Å |
| 1435 | Y | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 178.4 | -59.8 | -52.7 | 0 | 0 | 0 | 113.4 | E1307 F1353 M1369 F1376 F1379 R1431 F1432 L1437 V1438 L1439 L1463 | E1307-Y1435 PolarHBondContact OE1-OH 2.8Å; E1307-Y1435 PolarHBondContact OE2-OH 3.12Å; F1353-Y1435 HydrophobicContact CD1-CE1 4.42Å; F1353-Y1435 HydrophobicContact CE1-CD1 4.41Å; F1353-Y1435 AromaticContact CE1-CE1 3.81Å; F1353-Y1435 HydrophobicContact CE1-CE1 3.81Å; M1369-Y1435 HydrophobicContact CE-CD1 4.03Å; M1369-Y1435 HydrophobicContact CE-CG 4.01Å; F1376-Y1435 HydrophobicContact CD2-CD2 4.44Å; F1376-Y1435 HydrophobicContact CD2-CE2 4.33Å; F1376-Y1435 AromaticContact CE2-CD2 3.7Å; F1376-Y1435 HydrophobicContact CE2-CD2 3.7Å; F1376-Y1435 AromaticContact CE2-CE2 3.52Å; F1376-Y1435 HydrophobicContact CE2-CE2 3.52Å; F1376-Y1435 AromaticContact CZ-CE2 3.99Å; F1376-Y1435 HydrophobicContact CZ-CE2 3.99Å; F1379-Y1435 HydrophobicContact CZ-CE2 4.3Å; R1431-Y1435 HydrophobicContact CG-CE1 4.07Å; R1431-Y1435 PolarHBondContact O-N 2.9Å; F1432-Y1435 HydrophobicContact CD2-CD2 4.21Å; F1432-Y1435 HydrophobicContact CD2-CE2 4.39Å; F1432-Y1435 WeakPolarHBondContact O-CD2 3.31Å; F1432-Y1435 PolarHBondContact O-N 2.93Å; Y1435-L1437 PolarHBondContact O-N 3.29Å; Y1435-L1437 VanDerWaalsContact O-N 3.09Å; Y1435-V1438 PolarHBondContact O-N 2.83Å; Y1435-L1439 WeakPolarHBondContact O-CG 3.46Å; Y1435-L1439 PolarHBondContact O-N 3.08Å; Y1435-L1439 VanDerWaalsContact O-N 3.1Å; Y1435-L1463 HydrophobicContact CD2-CD2 4.39Å |
| 1436 | P | 94.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.045 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -14.4 | 173.4 | -23.1 | 33.3 | 0 | 0 | 0 | 115.5 | K1440 L1463 R1464 | P1436-K1440 WeakPolarHBondContact O-CD 3.43Å; P1436-K1440 WeakPolarHBondContact O-CE 3.47Å; P1436-K1440 WeakPolarHBondContact O-CG 3.35Å; P1436-L1463 HydrophobicContact CG-CB 3.93Å; P1436-R1464 HydrophobicContact CB-CG 3.91Å; P1436-R1464 HydrophobicContact CG-CG 4.19Å |
| 1437 | L | 92.9 | Very high | 93.1 | Very high | 94 Ų | 94 | 41.1 Ų | 41.1 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -94.3 | -49.5 | 178.8 | -54.5 | -179.2 | 0 | 0 | 0 | 110.3 | K1434 Y1435 L1439 K1440 E1441 | K1434-L1437 WeakPolarHBondContact O-CA 3.27Å; K1434-L1437 WeakPolarHBondContact O-CB 3.46Å; K1434-L1437 PolarHBondContact O-N 3.4Å; Y1435-L1437 PolarHBondContact O-N 3.29Å; Y1435-L1437 VanDerWaalsContact O-N 3.09Å; L1437-L1439 VanDerWaalsContact C-N 3.32Å; L1437-L1439 PolarHBondContact O-N 2.27Å; L1437-K1440 WeakPolarHBondContact O-CB 3.26Å; L1437-K1440 PolarHBondContact O-N 2.73Å; L1437-K1440 VanDerWaalsContact O-N 3.09Å; L1437-E1441 PolarHBondContact O-N 2.91Å; L1437-E1441 VanDerWaalsContact O-N 3.11Å |
| 1438 | V | 93.1 | Very high | 93 | Very high | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 111 | L1303 K1434 Y1435 K1440 E1441 L1442 | L1303-V1438 HydrophobicContact CB-CG1 4.01Å; L1303-V1438 HydrophobicContact CD1-CG1 3.99Å; L1303-V1438 HydrophobicContact CG-CG1 4.46Å; K1434-V1438 PolarHBondContact O-N 3.19Å; Y1435-V1438 PolarHBondContact O-N 2.83Å; V1438-K1440 PolarHBondContact O-N 2.79Å; V1438-E1441 PolarHBondContact O-N 3.22Å; V1438-L1442 PolarHBondContact O-N 3Å; V1438-L1442 VanDerWaalsContact O-N 3.07Å |
| 1439 | L | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.2 | -30 | 176.9 | -63.1 | -175.4 | 0 | 0 | 0 | 113.1 | L1303 V1365 M1369 Y1435 L1437 L1442 I1443 L1456 A1459 V1460 L1463 | L1303-L1439 HydrophobicContact CD2-CD2 4.37Å; V1365-L1439 HydrophobicContact CG1-CD2 3.68Å; M1369-L1439 HydrophobicContact CB-CD1 4.3Å; M1369-L1439 HydrophobicContact CE-CD1 4.04Å; M1369-L1439 HydrophobicContact CG-CD1 3.95Å; Y1435-L1439 WeakPolarHBondContact O-CG 3.46Å; Y1435-L1439 PolarHBondContact O-N 3.08Å; Y1435-L1439 VanDerWaalsContact O-N 3.1Å; L1437-L1439 VanDerWaalsContact C-N 3.32Å; L1437-L1439 PolarHBondContact O-N 2.27Å; L1439-L1442 HydrophobicContact CD2-CD2 4.44Å; L1439-L1442 PolarHBondContact O-N 3.14Å; L1439-I1443 VanDerWaalsContact O-CG1 3.25Å; L1439-I1443 WeakPolarHBondContact O-CG1 3.36Å; L1439-I1443 PolarHBondContact O-N 2.72Å; L1439-L1456 HydrophobicContact CD2-CD2 3.89Å; L1439-A1459 HydrophobicContact CD1-CB 4.18Å; L1439-V1460 HydrophobicContact CB-CG2 3.33Å; L1439-V1460 HydrophobicContact CD1-CG2 4.13Å; L1439-V1460 HydrophobicContact CG-CG2 4.38Å; L1439-L1463 HydrophobicContact CD1-CD1 3.74Å |
| 1440 | K | 93.9 | Very high | 92.5 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 171.2 | -82.1 | 171.6 | -170.8 | 173.6 | 0 | 111.8 | P1436 L1437 V1438 L1442 I1443 K1444 V1460 | P1436-K1440 WeakPolarHBondContact O-CD 3.43Å; P1436-K1440 WeakPolarHBondContact O-CE 3.47Å; P1436-K1440 WeakPolarHBondContact O-CG 3.35Å; L1437-K1440 WeakPolarHBondContact O-CB 3.26Å; L1437-K1440 PolarHBondContact O-N 2.73Å; L1437-K1440 VanDerWaalsContact O-N 3.09Å; V1438-K1440 PolarHBondContact O-N 2.79Å; K1440-L1442 VanDerWaalsContact C-N 3.32Å; K1440-I1443 PolarHBondContact O-N 2.9Å; K1440-K1444 PolarHBondContact O-N 3.34Å; K1440-V1460 HydrophobicContact CG-CG1 4.06Å |
| 1441 | E | 92.2 | Very high | 92.5 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176 | -59.8 | -51 | 125.8 | 0 | 0 | 111.2 | L1437 V1438 K1444 Y1445 | L1437-E1441 PolarHBondContact O-N 2.91Å; L1437-E1441 VanDerWaalsContact O-N 3.11Å; V1438-E1441 PolarHBondContact O-N 3.22Å; E1441-K1444 PolarHBondContact O-N 3.34Å; E1441-K1444 VanDerWaalsContact OE1-CE 3.28Å; E1441-K1444 WeakPolarHBondContact OE1-CE 3.49Å; E1441-K1444 IonicContact OE1-NZ 2.76Å; E1441-K1444 PolarHBondContact OE1-NZ 3.06Å; E1441-K1444 WeakPolarHBondContact OE2-CD 3.36Å; E1441-K1444 WeakPolarHBondContact OE2-CE 3.42Å; E1441-K1444 IonicContact OE2-NZ 3.14Å; E1441-K1444 PolarHBondContact OE2-NZ 3.11Å; E1441-Y1445 VanDerWaalsContact O-CD2 3.25Å; E1441-Y1445 WeakPolarHBondContact O-CD2 3.49Å |
| 1442 | L | 93.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 173.7 | -164.9 | 68.2 | 0 | 0 | 0 | 112.7 | R1296 H1299 F1300 V1365 V1438 L1439 K1440 K1444 Y1445 T1446 L1456 | R1296-L1442 HydrophobicContact CB-CD1 4.45Å; R1296-L1442 HydrophobicContact CG-CD1 3.62Å; R1296-L1442 HydrophobicContact CG-CG 4.36Å; R1296-L1442 VanDerWaalsContact O-CD1 3.22Å; R1296-L1442 WeakPolarHBondContact O-CD1 3.48Å; H1299-L1442 HydrophobicContact CB-CD1 3.82Å; F1300-L1442 HydrophobicContact CB-CD1 4.5Å; V1365-L1442 HydrophobicContact CB-CD2 3.75Å; V1365-L1442 HydrophobicContact CG1-CD2 3.64Å; V1365-L1442 HydrophobicContact CG2-CD2 4.01Å; V1438-L1442 PolarHBondContact O-N 3Å; V1438-L1442 VanDerWaalsContact O-N 3.07Å; L1439-L1442 HydrophobicContact CD2-CD2 4.44Å; L1439-L1442 PolarHBondContact O-N 3.14Å; K1440-L1442 VanDerWaalsContact C-N 3.32Å; L1442-K1444 PolarHBondContact O-N 3.21Å; L1442-Y1445 PolarHBondContact O-N 3.03Å; L1442-T1446 WeakPolarHBondContact O-CB 3.35Å; L1442-T1446 PolarHBondContact O-N 3.06Å; L1442-T1446 VanDerWaalsContact O-N 3.17Å; L1442-T1446 PolarHBondContact O-OG1 3.41Å; L1442-L1456 HydrophobicContact CD2-CD1 4.22Å; L1442-L1456 HydrophobicContact CD2-CD2 3.91Å; L1442-L1456 HydrophobicContact CG-CD1 4.39Å |
| 1443 | I | 94.4 | Very high | 92.5 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -41 | 174.7 | -70.7 | 163.5 | 0 | 0 | 0 | 111.4 | L1439 K1440 Y1445 T1446 F1453 L1456 E1457 V1460 | L1439-I1443 VanDerWaalsContact O-CG1 3.25Å; L1439-I1443 WeakPolarHBondContact O-CG1 3.36Å; L1439-I1443 PolarHBondContact O-N 2.72Å; K1440-I1443 PolarHBondContact O-N 2.9Å; I1443-Y1445 PolarHBondContact O-N 2.85Å; I1443-T1446 PolarHBondContact O-N 2.82Å; I1443-T1446 VanDerWaalsContact O-O 3.06Å; I1443-F1453 HydrophobicContact CG2-CE2 3.87Å; I1443-F1453 HydrophobicContact CG2-CZ 4.34Å; I1443-L1456 HydrophobicContact CD1-CB 3.94Å; I1443-L1456 HydrophobicContact CG1-CB 3.57Å; I1443-L1456 HydrophobicContact CG1-CD1 4.29Å; I1443-L1456 HydrophobicContact CG1-CG 4.47Å; I1443-E1457 HydrophobicContact CD1-CG 4.35Å; I1443-V1460 HydrophobicContact CD1-CB 4.22Å; I1443-V1460 HydrophobicContact CD1-CG1 4.49Å; I1443-V1460 HydrophobicContact CD1-CG2 3.88Å |
| 1444 | K | 93.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 52 Ų | 52 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.9 | -27.6 | 179.9 | -68.7 | 177.5 | -167.2 | 170.3 | 0 | 113.9 | K1440 E1441 L1442 | K1440-K1444 PolarHBondContact O-N 3.34Å; E1441-K1444 PolarHBondContact O-N 3.34Å; E1441-K1444 VanDerWaalsContact OE1-CE 3.28Å; E1441-K1444 WeakPolarHBondContact OE1-CE 3.49Å; E1441-K1444 IonicContact OE1-NZ 2.76Å; E1441-K1444 PolarHBondContact OE1-NZ 3.06Å; E1441-K1444 WeakPolarHBondContact OE2-CD 3.36Å; E1441-K1444 WeakPolarHBondContact OE2-CE 3.42Å; E1441-K1444 IonicContact OE2-NZ 3.14Å; E1441-K1444 PolarHBondContact OE2-NZ 3.11Å; L1442-K1444 PolarHBondContact O-N 3.21Å |
| 1445 | Y | 92.3 | Very high | 92.7 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -109.5 | 2.1 | -179.4 | -55.2 | -67.1 | 0 | 0 | 0 | 113.6 | K1295 H1299 E1441 L1442 I1443 | K1295-Y1445 HydrophobicContact CB-CD1 3.76Å; K1295-Y1445 HydrophobicContact CB-CD2 3.97Å; K1295-Y1445 HydrophobicContact CB-CE1 4.09Å; K1295-Y1445 HydrophobicContact CB-CE2 4.28Å; K1295-Y1445 HydrophobicContact CB-CG 3.68Å; K1295-Y1445 HydrophobicContact CD-CD1 3.79Å; K1295-Y1445 HydrophobicContact CD-CE1 3.42Å; K1295-Y1445 VanDerWaalsContact CD-CE1 3.42Å; K1295-Y1445 HydrophobicContact CG-CD1 4.42Å; K1295-Y1445 HydrophobicContact CG-CE1 4.37Å; H1299-Y1445 AromaticContact CD2-CD2 3.57Å; H1299-Y1445 AromaticContact CD2-CE2 3.68Å; H1299-Y1445 AromaticContact NE2-CD2 3.8Å; H1299-Y1445 AromaticContact NE2-CE2 3.36Å; H1299-Y1445 WeakPolarHBondContact NE2-CE2 3.49Å; E1441-Y1445 VanDerWaalsContact O-CD2 3.25Å; E1441-Y1445 WeakPolarHBondContact O-CD2 3.49Å; L1442-Y1445 PolarHBondContact O-N 3.03Å; I1443-Y1445 PolarHBondContact O-N 2.85Å |
| 1446 | T | 91.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -98.1 | 116.6 | 173.5 | -57.8 | 0 | 0 | 0 | 0 | 108.3 | R1296 L1442 I1443 H1450 F1453 L1456 | R1296-T1446 WeakPolarHBondContact CD-OG1 3.44Å; R1296-T1446 PolarHBondContact NE-OG1 3.22Å; L1442-T1446 WeakPolarHBondContact O-CB 3.35Å; L1442-T1446 PolarHBondContact O-N 3.06Å; L1442-T1446 VanDerWaalsContact O-N 3.17Å; L1442-T1446 PolarHBondContact O-OG1 3.41Å; I1443-T1446 PolarHBondContact O-N 2.82Å; I1443-T1446 VanDerWaalsContact O-O 3.06Å; T1446-H1450 HydrophobicContact CG2-CB 3.58Å; T1446-F1453 HydrophobicContact CG2-CB 4.15Å; T1446-F1453 HydrophobicContact CG2-CD2 4.11Å; T1446-F1453 VanDerWaalsContact O-CD2 3.22Å; T1446-F1453 WeakPolarHBondContact O-CD2 3.31Å; T1446-F1453 WeakPolarHBondContact O-CE2 3.47Å; T1446-L1456 HydrophobicContact CG2-CD1 4.17Å |
| 1447 | P | 88 | Confident | 92.9 | Very high | 62 Ų | 62 | 54 Ų | 54 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | trans | -71.7 | 152.4 | -179.4 | 28.3 | -33 | 0 | 0 | 0 | 111.4 | S1449 H1450 | P1447-S1449 PolarHBondContact O-N 3.21Å; P1447-H1450 HydrophobicContact CG-CB 4.1Å; P1447-H1450 WeakPolarHBondContact O-CB 3.41Å; P1447-H1450 PolarHBondContact O-N 3.13Å | ||
| 1448 | P | 90 | Very high | 93 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.9 | 179 | -27.2 | 35.8 | 0 | 0 | 0 | 115.9 | F1453 | P1448-F1453 HydrophobicContact CB-CD1 4.33Å; P1448-F1453 HydrophobicContact CB-CE1 4.21Å; P1448-F1453 HydrophobicContact CB-CZ 4.34Å; P1448-F1453 HydrophobicContact CG-CE1 4.38Å; P1448-F1453 HydrophobicContact CG-CE2 4.14Å; P1448-F1453 HydrophobicContact CG-CZ 4.02Å |
| 1449 | S | 87.4 | Confident | 93.1 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 80% | 0.797 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.5 | 173.4 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | P1447 | P1447-S1449 PolarHBondContact O-N 3.21Š|
| 1450 | H | 89.9 | Confident | 93.1 | Very high | 37 Ų | 37 | 53 Ų | 53 | 17% | 0.171 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -80.4 | 136.5 | 178.4 | -170.5 | -77.8 | 0 | 0 | 0 | 110.5 | R1296 D1363 T1446 P1447 D1452 F1453 | R1296-H1450 PolarHBondContact NH1-NE2 3.47Å; R1296-H1450 PolarHBondContact NH2-CE1 3.31Å; D1363-H1450 WeakPolarHBondContact CA-CE1 3.47Å; D1363-H1450 VanDerWaalsContact CB-CE1 3.49Å; D1363-H1450 WeakPolarHBondContact CB-CE1 3.46Å; D1363-H1450 PolarHBondContact O-CE1 3Å; D1363-H1450 IonicContact OD1-CE1 2.68Å; D1363-H1450 PolarHBondContact OD1-CE1 2.92Å; D1363-H1450 IonicContact OD1-NE2 2.7Å; D1363-H1450 PolarHBondContact OD1-NE2 2.86Å; D1363-H1450 IonicContact OD2-NE2 2.72Å; T1446-H1450 HydrophobicContact CG2-CB 3.58Å; P1447-H1450 HydrophobicContact CG-CB 4.1Å; P1447-H1450 WeakPolarHBondContact O-CB 3.41Å; P1447-H1450 PolarHBondContact O-N 3.13Å; H1450-D1452 WeakPolarHBondContact CE1-CB 3.49Å; H1450-D1452 WeakPolarHBondContact ND1-CB 3.43Å; H1450-D1452 PolarHBondContact ND1-N 3.16Å; H1450-D1452 PolarHBondContact O-N 2.86Å; H1450-D1452 VanDerWaalsContact O-N 3.09Å; H1450-F1453 WeakPolarHBondContact O-CB 3.44Å; H1450-F1453 PolarHBondContact O-N 3.44Å |
| 1451 | P | 90.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 56 Ų | 56 | 69% | 0.688 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.8 | -175.9 | 23.8 | -36.2 | 0 | 0 | 0 | 114.4 | ||
| 1452 | D | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.6 | -178.7 | -157 | 44.8 | 0 | 0 | 0 | 113.6 | R1296 V1365 G1366 K1367 H1450 G1454 N1455 L1456 | R1296-D1452 IonicContact NH2-OD2 2.76Å; V1365-D1452 PolarHBondContact N-OD2 3.42Å; G1366-D1452 WeakPolarHBondContact CA-OD1 3.48Å; G1366-D1452 PolarHBondContact N-OD1 3.32Å; G1366-D1452 PolarHBondContact N-OD2 2.97Å; K1367-D1452 PolarHBondContact N-OD1 3.27Å; H1450-D1452 WeakPolarHBondContact CE1-CB 3.49Å; H1450-D1452 WeakPolarHBondContact ND1-CB 3.43Å; H1450-D1452 PolarHBondContact ND1-N 3.16Å; H1450-D1452 PolarHBondContact O-N 2.86Å; H1450-D1452 VanDerWaalsContact O-N 3.09Å; D1452-G1454 PolarHBondContact O-N 3.35Å; D1452-N1455 WeakPolarHBondContact O-CB 3.22Å; D1452-N1455 PolarHBondContact O-N 3.07Å; D1452-N1455 WeakPolarHBondContact OD1-CB 3.02Å; D1452-N1455 PolarHBondContact OD1-ND2 3Å; D1452-L1456 WeakPolarHBondContact O-CB 3.34Å; D1452-L1456 VanDerWaalsContact O-CG 3.31Å; D1452-L1456 WeakPolarHBondContact O-CG 3.47Å; D1452-L1456 PolarHBondContact O-N 3.16Å |
| 1453 | F | 94.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.1 | -51.8 | -176.4 | -174.7 | -92.1 | 0 | 0 | 0 | 112.3 | I1443 T1446 P1448 H1450 N1455 L1456 E1457 | I1443-F1453 HydrophobicContact CG2-CE2 3.87Å; I1443-F1453 HydrophobicContact CG2-CZ 4.34Å; T1446-F1453 HydrophobicContact CG2-CB 4.15Å; T1446-F1453 HydrophobicContact CG2-CD2 4.11Å; T1446-F1453 VanDerWaalsContact O-CD2 3.22Å; T1446-F1453 WeakPolarHBondContact O-CD2 3.31Å; T1446-F1453 WeakPolarHBondContact O-CE2 3.47Å; P1448-F1453 HydrophobicContact CB-CD1 4.33Å; P1448-F1453 HydrophobicContact CB-CE1 4.21Å; P1448-F1453 HydrophobicContact CB-CZ 4.34Å; P1448-F1453 HydrophobicContact CG-CE1 4.38Å; P1448-F1453 HydrophobicContact CG-CE2 4.14Å; P1448-F1453 HydrophobicContact CG-CZ 4.02Å; H1450-F1453 WeakPolarHBondContact O-CB 3.44Å; H1450-F1453 PolarHBondContact O-N 3.44Å; F1453-N1455 VanDerWaalsContact C-N 3.32Å; F1453-N1455 PolarHBondContact O-N 2.78Å; F1453-L1456 PolarHBondContact O-N 3.22Å; F1453-E1457 HydrophobicContact CD1-CG 4.35Å; F1453-E1457 VanDerWaalsContact CE1-CD 3.45Å; F1453-E1457 HydrophobicContact CE1-CG 3.99Å; F1453-E1457 VanDerWaalsContact CE1-OE2 3.27Å; F1453-E1457 WeakPolarHBondContact CE1-OE2 3.08Å; F1453-E1457 HydrophobicContact CZ-CG 4.35Å; F1453-E1457 PolarHBondContact O-N 2.66Å |
| 1454 | G | 93.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -33 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1452 Q1458 | D1452-G1454 PolarHBondContact O-N 3.35Å; G1454-Q1458 WeakPolarHBondContact O-CB 3.32Å; G1454-Q1458 PolarHBondContact O-N 2.7Å |
| 1455 | N | 96.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175 | -55.8 | -29.7 | 0 | 0 | 0 | 111 | L1370 D1452 F1453 A1459 | L1370-N1455 HydrophobicContact CD1-CB 3.9Å; D1452-N1455 WeakPolarHBondContact O-CB 3.22Å; D1452-N1455 PolarHBondContact O-N 3.07Å; D1452-N1455 WeakPolarHBondContact OD1-CB 3.02Å; D1452-N1455 PolarHBondContact OD1-ND2 3Å; F1453-N1455 VanDerWaalsContact C-N 3.32Å; F1453-N1455 PolarHBondContact O-N 2.78Å; N1455-A1459 VanDerWaalsContact O-CB 3.22Å; N1455-A1459 WeakPolarHBondContact O-CB 3.34Å; N1455-A1459 PolarHBondContact O-N 3.44Å |
| 1456 | L | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 178.1 | -72 | 166.4 | 0 | 0 | 0 | 111.5 | V1365 L1439 L1442 I1443 T1446 D1452 F1453 A1459 V1460 | V1365-L1456 HydrophobicContact CB-CD2 4.36Å; V1365-L1456 HydrophobicContact CG1-CD2 4.27Å; L1439-L1456 HydrophobicContact CD2-CD2 3.89Å; L1442-L1456 HydrophobicContact CD2-CD1 4.22Å; L1442-L1456 HydrophobicContact CD2-CD2 3.91Å; L1442-L1456 HydrophobicContact CG-CD1 4.39Å; I1443-L1456 HydrophobicContact CD1-CB 3.94Å; I1443-L1456 HydrophobicContact CG1-CB 3.57Å; I1443-L1456 HydrophobicContact CG1-CD1 4.29Å; I1443-L1456 HydrophobicContact CG1-CG 4.47Å; T1446-L1456 HydrophobicContact CG2-CD1 4.17Å; D1452-L1456 WeakPolarHBondContact O-CB 3.34Å; D1452-L1456 VanDerWaalsContact O-CG 3.31Å; D1452-L1456 WeakPolarHBondContact O-CG 3.47Å; D1452-L1456 PolarHBondContact O-N 3.16Å; F1453-L1456 PolarHBondContact O-N 3.22Å; L1456-A1459 PolarHBondContact O-N 3.46Å; L1456-V1460 VanDerWaalsContact O-CB 3.24Å; L1456-V1460 WeakPolarHBondContact O-CB 3.34Å; L1456-V1460 WeakPolarHBondContact O-CG2 3.08Å; L1456-V1460 PolarHBondContact O-N 3.26Å |
| 1457 | E | 96.5 | Very high | 92.7 | Very high | 105 Ų | 105 | 55 Ų | 55 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 174.9 | -72.2 | -161.1 | 119.7 | 0 | 0 | 111.9 | I1443 F1453 V1460 F1461 | I1443-E1457 HydrophobicContact CD1-CG 4.35Å; F1453-E1457 HydrophobicContact CD1-CG 4.35Å; F1453-E1457 VanDerWaalsContact CE1-CD 3.45Å; F1453-E1457 HydrophobicContact CE1-CG 3.99Å; F1453-E1457 VanDerWaalsContact CE1-OE2 3.27Å; F1453-E1457 WeakPolarHBondContact CE1-OE2 3.08Å; F1453-E1457 HydrophobicContact CZ-CG 4.35Å; F1453-E1457 PolarHBondContact O-N 2.66Å; E1457-V1460 PolarHBondContact O-N 3.47Å; E1457-F1461 PolarHBondContact O-N 2.99Å |
| 1458 | Q | 94.8 | Very high | 92.5 | Very high | 89 Ų | 89 | 57.1 Ų | 57.1 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.8 | -173.9 | 59.9 | 48.2 | 0 | 0 | 111.4 | L1370 G1454 V1460 F1461 D1462 | L1370-Q1458 HydrophobicContact CD1-CB 4.42Å; L1370-Q1458 HydrophobicContact CD1-CG 4.47Å; L1370-Q1458 HydrophobicContact CD2-CB 4.25Å; L1370-Q1458 HydrophobicContact CD2-CG 3.88Å; G1454-Q1458 WeakPolarHBondContact O-CB 3.32Å; G1454-Q1458 PolarHBondContact O-N 2.7Å; Q1458-V1460 VanDerWaalsContact C-N 3.27Å; Q1458-V1460 PolarHBondContact O-N 3.26Å; Q1458-F1461 WeakPolarHBondContact O-CA 3.23Å; Q1458-F1461 WeakPolarHBondContact O-CB 3.49Å; Q1458-F1461 PolarHBondContact O-N 2.69Å; Q1458-D1462 WeakPolarHBondContact CG-OD2 3.32Å; Q1458-D1462 PolarHBondContact NE2-OD1 2.91Å; Q1458-D1462 PolarHBondContact NE2-OD2 3.42Å; Q1458-D1462 PolarHBondContact O-N 3.33Å |
| 1459 | A | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1369 L1370 L1439 N1455 L1456 F1461 L1463 | M1369-A1459 HydrophobicContact CB-CB 4.02Å; M1369-A1459 HydrophobicContact CG-CB 3.82Å; L1370-A1459 HydrophobicContact CD2-CB 4.02Å; L1370-A1459 HydrophobicContact CG-CB 4.16Å; L1439-A1459 HydrophobicContact CD1-CB 4.18Å; N1455-A1459 VanDerWaalsContact O-CB 3.22Å; N1455-A1459 WeakPolarHBondContact O-CB 3.34Å; N1455-A1459 PolarHBondContact O-N 3.44Å; L1456-A1459 PolarHBondContact O-N 3.46Å; A1459-F1461 VanDerWaalsContact C-N 3.33Å; A1459-L1463 WeakPolarHBondContact O-CB 3.45Å; A1459-L1463 WeakPolarHBondContact O-CD1 3.47Å; A1459-L1463 VanDerWaalsContact O-CG 3.22Å; A1459-L1463 WeakPolarHBondContact O-CG 2.99Å; A1459-L1463 PolarHBondContact O-N 3.38Å |
| 1460 | V | 95.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.9 | -19.9 | 176.9 | 159.9 | 0 | 0 | 0 | 0 | 113.1 | L1439 K1440 I1443 L1456 E1457 Q1458 R1464 | L1439-V1460 HydrophobicContact CB-CG2 3.33Å; L1439-V1460 HydrophobicContact CD1-CG2 4.13Å; L1439-V1460 HydrophobicContact CG-CG2 4.38Å; K1440-V1460 HydrophobicContact CG-CG1 4.06Å; I1443-V1460 HydrophobicContact CD1-CB 4.22Å; I1443-V1460 HydrophobicContact CD1-CG1 4.49Å; I1443-V1460 HydrophobicContact CD1-CG2 3.88Å; L1456-V1460 VanDerWaalsContact O-CB 3.24Å; L1456-V1460 WeakPolarHBondContact O-CB 3.34Å; L1456-V1460 WeakPolarHBondContact O-CG2 3.08Å; L1456-V1460 PolarHBondContact O-N 3.26Å; E1457-V1460 PolarHBondContact O-N 3.47Å; Q1458-V1460 VanDerWaalsContact C-N 3.27Å; Q1458-V1460 PolarHBondContact O-N 3.26Å; V1460-R1464 WeakPolarHBondContact O-CG 3.34Å; V1460-R1464 PolarHBondContact O-NE 2.97Å |
| 1461 | F | 93.7 | Very high | 91.4 | Very high | 135 Ų | 135 | 52.8 Ų | 52.8 | 59% | 0.592 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -78.5 | -53.6 | 168.1 | 178.1 | -93.2 | 0 | 0 | 0 | 110.3 | E1457 Q1458 A1459 L1463 R1464 A1465 | E1457-F1461 PolarHBondContact O-N 2.99Å; Q1458-F1461 WeakPolarHBondContact O-CA 3.23Å; Q1458-F1461 WeakPolarHBondContact O-CB 3.49Å; Q1458-F1461 PolarHBondContact O-N 2.69Å; A1459-F1461 VanDerWaalsContact C-N 3.33Å; F1461-L1463 PolarHBondContact O-N 2.73Å; F1461-R1464 WeakPolarHBondContact O-CB 3.17Å; F1461-R1464 PolarHBondContact O-N 2.62Å; F1461-A1465 PolarHBondContact O-N 3Å |
| 1462 | D | 93.8 | Very high | 90.9 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | -176.1 | -65.1 | -33.1 | 0 | 0 | 0 | 112.7 | L1373 Q1458 R1464 A1465 L1466 | L1373-D1462 HydrophobicContact CD1-CB 3.73Å; Q1458-D1462 WeakPolarHBondContact CG-OD2 3.32Å; Q1458-D1462 PolarHBondContact NE2-OD1 2.91Å; Q1458-D1462 PolarHBondContact NE2-OD2 3.42Å; Q1458-D1462 PolarHBondContact O-N 3.33Å; D1462-R1464 PolarHBondContact O-N 2.68Å; D1462-A1465 PolarHBondContact O-N 3.08Å; D1462-L1466 WeakPolarHBondContact O-CB 3.14Å; D1462-L1466 PolarHBondContact O-N 2.73Å |
| 1463 | L | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -31.3 | 173.3 | -76.4 | 165.9 | 0 | 0 | 0 | 112.6 | M1369 L1373 F1376 F1432 Y1435 P1436 L1439 A1459 F1461 C1467 | M1369-L1463 HydrophobicContact CE-CD1 4.03Å; M1369-L1463 HydrophobicContact CG-CD1 3.82Å; M1369-L1463 HydrophobicContact CG-CG 4.34Å; M1369-L1463 HydrophobicContact SD-CD1 3.91Å; M1369-L1463 HydrophobicContact SD-CD2 4.06Å; M1369-L1463 HydrophobicContact SD-CG 4.33Å; L1373-L1463 HydrophobicContact CD1-CG 4.29Å; L1373-L1463 HydrophobicContact CD2-CD2 3.75Å; L1373-L1463 HydrophobicContact CD2-CG 4.02Å; L1373-L1463 HydrophobicContact CG-CD2 4.27Å; L1373-L1463 HydrophobicContact CG-CG 4.34Å; F1376-L1463 HydrophobicContact CD2-CD2 3.83Å; F1376-L1463 HydrophobicContact CE2-CD2 3.94Å; F1432-L1463 HydrophobicContact CE2-CD2 4.38Å; Y1435-L1463 HydrophobicContact CD2-CD2 4.39Å; P1436-L1463 HydrophobicContact CG-CB 3.93Å; L1439-L1463 HydrophobicContact CD1-CD1 3.74Å; A1459-L1463 WeakPolarHBondContact O-CB 3.45Å; A1459-L1463 WeakPolarHBondContact O-CD1 3.47Å; A1459-L1463 VanDerWaalsContact O-CG 3.22Å; A1459-L1463 WeakPolarHBondContact O-CG 2.99Å; A1459-L1463 PolarHBondContact O-N 3.38Å; F1461-L1463 PolarHBondContact O-N 2.73Å; L1463-C1467 WeakPolarHBondContact O-CB 3.22Å; L1463-C1467 PolarHBondContact O-N 2.74Å; L1463-C1467 PolarHBondContact O-SG 3.27Å |
| 1464 | R | 91.9 | Very high | 88.9 | Confident | 115 Ų | 115 | 55.7 Ų | 55.7 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.1 | -45.2 | 176.1 | -83.8 | -170.8 | -88.3 | 171.5 | -6.2 | 111.3 | P1436 V1460 F1461 D1462 L1466 C1467 D1468 | P1436-R1464 HydrophobicContact CB-CG 3.91Å; P1436-R1464 HydrophobicContact CG-CG 4.19Å; V1460-R1464 WeakPolarHBondContact O-CG 3.34Å; V1460-R1464 PolarHBondContact O-NE 2.97Å; F1461-R1464 WeakPolarHBondContact O-CB 3.17Å; F1461-R1464 PolarHBondContact O-N 2.62Å; D1462-R1464 PolarHBondContact O-N 2.68Å; R1464-L1466 VanDerWaalsContact C-N 3.26Å; R1464-L1466 PolarHBondContact O-N 2.78Å; R1464-C1467 WeakPolarHBondContact O-CB 3.35Å; R1464-C1467 PolarHBondContact O-N 3.04Å; R1464-C1467 VanDerWaalsContact O-N 3.13Å; R1464-D1468 PolarHBondContact O-N 3.01Å |
| 1465 | A | 89.9 | Confident | 88.1 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1461 D1462 D1468 D1469 | F1461-A1465 PolarHBondContact O-N 3Å; D1462-A1465 PolarHBondContact O-N 3.08Å; A1465-D1468 PolarHBondContact O-N 3.03Å; A1465-D1469 WeakPolarHBondContact O-CB 3.19Å; A1465-D1469 PolarHBondContact O-N 2.7Å |
| 1466 | L | 89.8 | Confident | 87.2 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 176.3 | -163.9 | 64.9 | 0 | 0 | 0 | 112.4 | L1373 F1376 F1432 D1462 R1464 D1469 V1470 | L1373-L1466 HydrophobicContact CD2-CD2 4.09Å; F1376-L1466 HydrophobicContact CB-CD2 3.84Å; F1432-L1466 HydrophobicContact CE2-CD2 3.94Å; F1432-L1466 HydrophobicContact CE2-CG 4.42Å; F1432-L1466 HydrophobicContact CZ-CB 4.14Å; F1432-L1466 HydrophobicContact CZ-CD2 3.84Å; F1432-L1466 HydrophobicContact CZ-CG 3.81Å; D1462-L1466 WeakPolarHBondContact O-CB 3.14Å; D1462-L1466 PolarHBondContact O-N 2.73Å; R1464-L1466 VanDerWaalsContact C-N 3.26Å; R1464-L1466 PolarHBondContact O-N 2.78Å; L1466-D1469 PolarHBondContact O-N 2.83Å; L1466-V1470 VanDerWaalsContact O-CG2 3.29Å; L1466-V1470 WeakPolarHBondContact O-CG2 3.28Å; L1466-V1470 PolarHBondContact O-N 2.74Å |
| 1467 | C | 88.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 61 Ų | 61 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 172.7 | -73 | 0 | 0 | 0 | 0 | 112.6 | F1432 L1463 R1464 D1469 V1470 N1471 | F1432-C1467 HydrophobicContact CE1-CB 4.4Å; F1432-C1467 VanDerWaalsContact CE1-SG 3.6Å; L1463-C1467 WeakPolarHBondContact O-CB 3.22Å; L1463-C1467 PolarHBondContact O-N 2.74Å; L1463-C1467 PolarHBondContact O-SG 3.27Å; R1464-C1467 WeakPolarHBondContact O-CB 3.35Å; R1464-C1467 PolarHBondContact O-N 3.04Å; R1464-C1467 VanDerWaalsContact O-N 3.13Å; C1467-D1469 VanDerWaalsContact C-N 3.33Å; C1467-V1470 PolarHBondContact O-N 3.44Å; C1467-N1471 WeakPolarHBondContact O-CB 3.19Å; C1467-N1471 PolarHBondContact O-N 2.97Å |
| 1468 | D | 83.8 | Confident | 85.1 | Confident | 106 Ų | 106 | 61 Ų | 61 | 57% | 0.567 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66 | -36.9 | 177.7 | -71.7 | -31.1 | 0 | 0 | 0 | 111.3 | R1464 A1465 N1471 R1472 | R1464-D1468 PolarHBondContact O-N 3.01Å; A1465-D1468 PolarHBondContact O-N 3.03Å; D1468-N1471 PolarHBondContact O-N 3.21Å; D1468-R1472 VanDerWaalsContact O-CB 3.3Å; D1468-R1472 WeakPolarHBondContact O-CB 3.46Å; D1468-R1472 PolarHBondContact O-N 3.36Å |
| 1469 | D | 83.5 | Confident | 84.8 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 174.3 | -89.7 | 33.6 | 0 | 0 | 0 | 112.5 | A1465 L1466 C1467 R1472 L1473 | A1465-D1469 WeakPolarHBondContact O-CB 3.19Å; A1465-D1469 PolarHBondContact O-N 2.7Å; L1466-D1469 PolarHBondContact O-N 2.83Å; C1467-D1469 VanDerWaalsContact C-N 3.33Å; D1469-R1472 VanDerWaalsContact CG-CZ 3.5Å; D1469-R1472 VanDerWaalsContact CG-NH1 3.28Å; D1469-R1472 WeakPolarHBondContact O-CB 3.37Å; D1469-R1472 PolarHBondContact O-N 2.92Å; D1469-R1472 IonicContact OD1-CZ 2.57Å; D1469-R1472 VanDerWaalsContact OD1-CZ 3.29Å; D1469-R1472 IonicContact OD1-NH1 3.37Å; D1469-R1472 PolarHBondContact OD1-NH1 3.41Å; D1469-R1472 IonicContact OD1-NH2 2.7Å; D1469-R1472 PolarHBondContact OD1-NH2 2.97Å; D1469-R1472 IonicContact OD2-CZ 3.13Å; D1469-R1472 IonicContact OD2-NH1 3.76Å; D1469-R1472 PolarHBondContact OD2-NH1 3.34Å; D1469-R1472 IonicContact OD2-NH2 2.63Å; D1469-R1472 PolarHBondContact OD2-NH2 3.49Å; D1469-L1473 WeakPolarHBondContact O-CB 3.33Å; D1469-L1473 VanDerWaalsContact O-CG 3.26Å; D1469-L1473 WeakPolarHBondContact O-CG 3.34Å; D1469-L1473 PolarHBondContact O-N 3.49Å |
| 1470 | V | 82.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | A1380 M1429 F1432 L1466 C1467 R1472 L1473 A1474 | A1380-V1470 VanDerWaalsContact CA-CG2 3.47Å; A1380-V1470 HydrophobicContact CB-CG2 3.45Å; A1380-V1470 VanDerWaalsContact CB-CG2 3.45Å; M1429-V1470 HydrophobicContact CE-CG1 3.71Å; M1429-V1470 HydrophobicContact SD-CG1 4.31Å; F1432-V1470 HydrophobicContact CE1-CB 4.45Å; F1432-V1470 HydrophobicContact CE1-CG2 4.07Å; L1466-V1470 VanDerWaalsContact O-CG2 3.29Å; L1466-V1470 WeakPolarHBondContact O-CG2 3.28Å; L1466-V1470 PolarHBondContact O-N 2.74Å; C1467-V1470 PolarHBondContact O-N 3.44Å; V1470-R1472 VanDerWaalsContact C-N 3.32Å; V1470-R1472 PolarHBondContact O-N 3.3Å; V1470-L1473 PolarHBondContact O-N 3.05Å; V1470-A1474 WeakPolarHBondContact O-CB 3.41Å; V1470-A1474 PolarHBondContact O-N 2.78Å |
| 1471 | N | 78.2 | Confident | 83.5 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 174.4 | -176.4 | 36.4 | 0 | 0 | 0 | 111.8 | C1467 D1468 S1475 | C1467-N1471 WeakPolarHBondContact O-CB 3.19Å; C1467-N1471 PolarHBondContact O-N 2.97Å; D1468-N1471 PolarHBondContact O-N 3.21Å; N1471-S1475 WeakPolarHBondContact O-CB 3.47Å; N1471-S1475 PolarHBondContact O-N 3.41Å; N1471-S1475 PolarHBondContact O-OG 3.12Å |
| 1472 | R | 79.6 | Confident | 83.2 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.6 | -175.5 | -176.7 | 71.2 | -132.7 | -2.8 | 111.9 | D1468 D1469 V1470 S1475 Q1476 | D1468-R1472 VanDerWaalsContact O-CB 3.3Å; D1468-R1472 WeakPolarHBondContact O-CB 3.46Å; D1468-R1472 PolarHBondContact O-N 3.36Å; D1469-R1472 VanDerWaalsContact CG-CZ 3.5Å; D1469-R1472 VanDerWaalsContact CG-NH1 3.28Å; D1469-R1472 WeakPolarHBondContact O-CB 3.37Å; D1469-R1472 PolarHBondContact O-N 2.92Å; D1469-R1472 IonicContact OD1-CZ 2.57Å; D1469-R1472 VanDerWaalsContact OD1-CZ 3.29Å; D1469-R1472 IonicContact OD1-NH1 3.37Å; D1469-R1472 PolarHBondContact OD1-NH1 3.41Å; D1469-R1472 IonicContact OD1-NH2 2.7Å; D1469-R1472 PolarHBondContact OD1-NH2 2.97Å; D1469-R1472 IonicContact OD2-CZ 3.13Å; D1469-R1472 IonicContact OD2-NH1 3.76Å; D1469-R1472 PolarHBondContact OD2-NH1 3.34Å; D1469-R1472 IonicContact OD2-NH2 2.63Å; D1469-R1472 PolarHBondContact OD2-NH2 3.49Å; V1470-R1472 VanDerWaalsContact C-N 3.32Å; V1470-R1472 PolarHBondContact O-N 3.3Å; R1472-S1475 PolarHBondContact O-N 3Å; R1472-Q1476 WeakPolarHBondContact O-CB 3.4Å; R1472-Q1476 VanDerWaalsContact O-CG 3.24Å; R1472-Q1476 WeakPolarHBondContact O-CG 3.43Å; R1472-Q1476 PolarHBondContact O-N 3.04Å |
| 1473 | L | 74.7 | Confident | 83.1 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 179.4 | -74 | 168.8 | 0 | 0 | 0 | 112.3 | D1469 V1470 Q1476 A1477 | D1469-L1473 WeakPolarHBondContact O-CB 3.33Å; D1469-L1473 VanDerWaalsContact O-CG 3.26Å; D1469-L1473 WeakPolarHBondContact O-CG 3.34Å; D1469-L1473 PolarHBondContact O-N 3.49Å; V1470-L1473 PolarHBondContact O-N 3.05Å; L1473-Q1476 PolarHBondContact O-N 2.82Å; L1473-A1477 PolarHBondContact O-N 2.87Å |
| 1474 | A | 72.9 | Confident | 82.7 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1470 Q1476 A1477 E1478 | V1470-A1474 WeakPolarHBondContact O-CB 3.41Å; V1470-A1474 PolarHBondContact O-N 2.78Å; A1474-Q1476 PolarHBondContact O-N 2.84Å; A1474-A1477 WeakPolarHBondContact O-CB 3.32Å; A1474-A1477 PolarHBondContact O-N 2.94Å; A1474-E1478 PolarHBondContact O-N 3.37Å |
| 1475 | S | 77.4 | Confident | 82.6 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -36.3 | 176 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | N1471 R1472 N1479 | N1471-S1475 WeakPolarHBondContact O-CB 3.47Å; N1471-S1475 PolarHBondContact O-N 3.41Å; N1471-S1475 PolarHBondContact O-OG 3.12Å; R1472-S1475 PolarHBondContact O-N 3Å; S1475-N1479 VanDerWaalsContact O-CB 3.25Å; S1475-N1479 WeakPolarHBondContact O-CB 3.49Å; S1475-N1479 PolarHBondContact O-N 3.28Å; S1475-N1479 VanDerWaalsContact O-N 3.07Å |
| 1476 | Q | 77.7 | Confident | 82.7 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.8 | -37.4 | 175.7 | -78.1 | 174 | -5.1 | 0 | 0 | 112.5 | R1472 L1473 A1474 L1480 | R1472-Q1476 WeakPolarHBondContact O-CB 3.4Å; R1472-Q1476 VanDerWaalsContact O-CG 3.24Å; R1472-Q1476 WeakPolarHBondContact O-CG 3.43Å; R1472-Q1476 PolarHBondContact O-N 3.04Å; L1473-Q1476 PolarHBondContact O-N 2.82Å; A1474-Q1476 PolarHBondContact O-N 2.84Å; Q1476-L1480 WeakPolarHBondContact O-CB 3.4Å; Q1476-L1480 PolarHBondContact O-N 3.49Å |
| 1477 | A | 72.1 | Confident | 82.8 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L1473 A1474 L1480 H1481 | L1473-A1477 PolarHBondContact O-N 2.87Å; A1474-A1477 WeakPolarHBondContact O-CB 3.32Å; A1474-A1477 PolarHBondContact O-N 2.94Å; A1477-L1480 PolarHBondContact O-N 3Å; A1477-H1481 PolarHBondContact O-N 3.48Å |
| 1478 | E | 76.8 | Confident | 82.7 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.1 | -68.9 | -177.8 | 164.8 | 0 | 0 | 111.6 | A1474 H1481 M1482 | A1474-E1478 PolarHBondContact O-N 3.37Å; E1478-H1481 WeakPolarHBondContact O-CB 3.38Å; E1478-H1481 PolarHBondContact O-N 2.84Å; E1478-M1482 WeakPolarHBondContact O-CG 3.5Å; E1478-M1482 PolarHBondContact O-N 3.5Å |
| 1479 | N | 87.2 | Confident | 83 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.3 | 178.8 | 74.3 | 0 | 0 | 0 | 112.3 | S1475 H1481 M1482 L1483 R1511 R1512 F1513 | S1475-N1479 VanDerWaalsContact O-CB 3.25Å; S1475-N1479 WeakPolarHBondContact O-CB 3.49Å; S1475-N1479 PolarHBondContact O-N 3.28Å; S1475-N1479 VanDerWaalsContact O-N 3.07Å; N1479-H1481 VanDerWaalsContact C-N 3.31Å; N1479-H1481 PolarHBondContact O-N 3.12Å; N1479-M1482 PolarHBondContact O-N 2.82Å; N1479-L1483 WeakPolarHBondContact O-CG 3.43Å; N1479-L1483 PolarHBondContact O-N 2.87Å; N1479-R1511 PolarHBondContact ND2-O 2.86Å; N1479-R1512 WeakPolarHBondContact OD1-CA 3.19Å; N1479-F1513 PolarHBondContact OD1-N 2.69Å |
| 1480 | L | 84.8 | Confident | 83.5 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 44% | 0.44 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 177.1 | 176.1 | 60.8 | 0 | 0 | 0 | 111.6 | Q1476 A1477 L1483 H1484 N1502 | Q1476-L1480 WeakPolarHBondContact O-CB 3.4Å; Q1476-L1480 PolarHBondContact O-N 3.49Å; A1477-L1480 PolarHBondContact O-N 3Å; L1480-L1483 PolarHBondContact O-N 2.8Å; L1480-H1484 PolarHBondContact O-N 2.87Å; L1480-N1502 VanDerWaalsContact CD1-ND2 3.35Å; L1480-N1502 WeakPolarHBondContact CD1-ND2 3.48Å; L1480-N1502 VanDerWaalsContact CD1-OD1 3.22Å; L1480-N1502 WeakPolarHBondContact CD1-OD1 3.16Å |
| 1481 | H | 80.7 | Confident | 83.8 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.3 | -158.6 | 137.4 | 0 | 0 | 0 | 110.8 | A1477 E1478 N1479 L1483 H1484 W1485 | A1477-H1481 PolarHBondContact O-N 3.48Å; E1478-H1481 WeakPolarHBondContact O-CB 3.38Å; E1478-H1481 PolarHBondContact O-N 2.84Å; N1479-H1481 VanDerWaalsContact C-N 3.31Å; N1479-H1481 PolarHBondContact O-N 3.12Å; H1481-L1483 PolarHBondContact O-N 2.91Å; H1481-H1484 PolarHBondContact O-N 3.07Å; H1481-W1485 WeakPolarHBondContact O-CB 3.43Å; H1481-W1485 PolarHBondContact O-N 3.12Å |
| 1482 | M | 88.1 | Confident | 84.3 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.3 | -33 | -179.1 | -68.6 | -91.8 | 59.4 | 0 | 0 | 113.2 | E1478 N1479 W1485 C1486 F1513 A1556 | E1478-M1482 WeakPolarHBondContact O-CG 3.5Å; E1478-M1482 PolarHBondContact O-N 3.5Å; N1479-M1482 PolarHBondContact O-N 2.82Å; M1482-W1485 HydrophobicContact CE-CB 3.79Å; M1482-W1485 HydrophobicContact CE-CD2 3.97Å; M1482-W1485 HydrophobicContact CE-CE3 4.13Å; M1482-W1485 HydrophobicContact CE-CG 3.81Å; M1482-C1486 WeakPolarHBondContact O-CB 3.31Å; M1482-C1486 PolarHBondContact O-N 3.19Å; M1482-C1486 PolarHBondContact O-SG 3Å; M1482-F1513 HydrophobicContact CB-CB 4.35Å; M1482-F1513 HydrophobicContact CB-CD1 4.14Å; M1482-F1513 HydrophobicContact CB-CG 4.32Å; M1482-F1513 HydrophobicContact CG-CD1 4.32Å; M1482-F1513 HydrophobicContact SD-CD1 4.46Å; M1482-F1513 HydrophobicContact SD-CE1 4.21Å; M1482-A1556 HydrophobicContact CE-CB 4.2Å |
| 1483 | L | 91.2 | Very high | 84.2 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 171.6 | -65.3 | 178.8 | 0 | 0 | 0 | 112.2 | N1479 L1480 H1481 C1486 Q1487 F1501 N1502 R1511 F1533 | N1479-L1483 WeakPolarHBondContact O-CG 3.43Å; N1479-L1483 PolarHBondContact O-N 2.87Å; L1480-L1483 PolarHBondContact O-N 2.8Å; H1481-L1483 PolarHBondContact O-N 2.91Å; L1483-C1486 PolarHBondContact O-N 3.44Å; L1483-Q1487 PolarHBondContact O-N 2.8Å; L1483-Q1487 VanDerWaalsContact O-N 3.08Å; L1483-F1501 HydrophobicContact CB-CB 4.46Å; L1483-F1501 WeakPolarHBondContact O-CB 3.24Å; L1483-N1502 HydrophobicContact CB-CB 4.34Å; L1483-R1511 HydrophobicContact CD1-CB 4.29Å; L1483-R1511 WeakPolarHBondContact CD1-O 3.11Å; L1483-R1511 HydrophobicContact CD2-CB 4.44Å; L1483-R1511 HydrophobicContact CD2-CG 4.04Å; L1483-F1533 HydrophobicContact CD2-CD1 3.98Å; L1483-F1533 HydrophobicContact CD2-CE1 3.75Å |
| 1484 | H | 85.4 | Confident | 84.4 | Confident | 121 Ų | 121 | 59.2 Ų | 59.2 | 56% | 0.56 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 173.3 | -177.2 | -79.6 | 0 | 0 | 0 | 111.4 | L1480 H1481 C1486 Q1487 C1488 | L1480-H1484 PolarHBondContact O-N 2.87Å; H1481-H1484 PolarHBondContact O-N 3.07Å; H1484-C1486 VanDerWaalsContact C-N 3.33Å; H1484-C1486 PolarHBondContact O-N 3.17Å; H1484-Q1487 WeakPolarHBondContact O-CB 3.43Å; H1484-Q1487 PolarHBondContact O-N 3.18Å; H1484-Q1487 VanDerWaalsContact O-N 3.12Å; H1484-C1488 PolarHBondContact O-N 3.35Å |
| 1485 | W | 89.9 | Confident | 84.8 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 175 | -178.8 | 92.5 | 0 | 0 | 0 | 111.2 | H1481 M1482 Q1487 C1488 H1489 F1531 V1554 C1558 F1562 | H1481-W1485 WeakPolarHBondContact O-CB 3.43Å; H1481-W1485 PolarHBondContact O-N 3.12Å; M1482-W1485 HydrophobicContact CE-CB 3.79Å; M1482-W1485 HydrophobicContact CE-CD2 3.97Å; M1482-W1485 HydrophobicContact CE-CE3 4.13Å; M1482-W1485 HydrophobicContact CE-CG 3.81Å; W1485-Q1487 VanDerWaalsContact C-N 3.29Å; W1485-Q1487 PolarHBondContact O-N 3.14Å; W1485-C1488 PolarHBondContact O-N 2.81Å; W1485-C1488 VanDerWaalsContact O-N 3.15Å; W1485-H1489 AromaticContact CD1-CE1 3.4Å; W1485-H1489 AromaticContact CD1-ND1 3.4Å; W1485-H1489 HydrophobicContact CD2-CB 4.27Å; W1485-H1489 AromaticContact CD2-ND1 3.71Å; W1485-H1489 AromaticContact CE2-CE1 3.95Å; W1485-H1489 AromaticContact CE2-CG 3.52Å; W1485-H1489 AromaticContact CE2-ND1 3.44Å; W1485-H1489 HydrophobicContact CE3-CB 4.4Å; W1485-H1489 AromaticContact CG-ND1 3.66Å; W1485-H1489 HydrophobicContact CH2-CB 3.69Å; W1485-H1489 HydrophobicContact CZ2-CB 3.56Å; W1485-H1489 AromaticContact CZ2-CG 3.62Å; W1485-H1489 HydrophobicContact CZ3-CB 4.11Å; W1485-H1489 AromaticContact NE1-CD2 3.91Å; W1485-H1489 AromaticContact NE1-CE1 3.3Å; W1485-H1489 PolarHBondContact NE1-CE1 3.04Å; W1485-H1489 VanDerWaalsContact NE1-CE1 3.3Å; W1485-H1489 AromaticContact NE1-CG 3.66Å; W1485-H1489 AromaticContact NE1-ND1 3.26Å; W1485-H1489 PolarHBondContact NE1-ND1 2.7Å; W1485-H1489 AromaticContact NE1-NE2 3.71Å; W1485-H1489 PolarHBondContact O-N 2.92Å; W1485-H1489 PolarHBondContact O-ND1 3.38Å; W1485-F1531 HydrophobicContact CH2-CE1 4.35Å; W1485-F1531 HydrophobicContact CH2-CZ 4.38Å; W1485-F1531 AromaticContact CZ3-CE1 3.77Å; W1485-F1531 HydrophobicContact CZ3-CE1 3.77Å; W1485-F1531 HydrophobicContact CZ3-CZ 4.19Å; W1485-V1554 HydrophobicContact CD2-CG1 4.39Å; W1485-V1554 HydrophobicContact CE3-CG1 4Å; W1485-V1554 HydrophobicContact CH2-CG1 3.48Å; W1485-V1554 VanDerWaalsContact CH2-CG1 3.48Å; W1485-V1554 HydrophobicContact CZ2-CG1 3.87Å; W1485-V1554 HydrophobicContact CZ3-CG1 3.55Å; W1485-C1558 HydrophobicContact CZ2-CB 3.9Å; W1485-C1558 WeakPolarHBondContact CZ2-O 3.31Å; W1485-C1558 PolarHBondContact NE1-O 3.39Å; W1485-F1562 AromaticContact CH2-CD2 3.94Å; W1485-F1562 HydrophobicContact CH2-CD2 3.94Å; W1485-F1562 AromaticContact CH2-CE2 3.77Å; W1485-F1562 HydrophobicContact CH2-CE2 3.77Å; W1485-F1562 HydrophobicContact CZ2-CE2 4.34Å |
| 1486 | C | 92.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 176 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | M1482 L1483 H1484 C1488 H1489 I1490 F1501 | M1482-C1486 WeakPolarHBondContact O-CB 3.31Å; M1482-C1486 PolarHBondContact O-N 3.19Å; M1482-C1486 PolarHBondContact O-SG 3Å; L1483-C1486 PolarHBondContact O-N 3.44Å; H1484-C1486 VanDerWaalsContact C-N 3.33Å; H1484-C1486 PolarHBondContact O-N 3.17Å; C1486-C1488 VanDerWaalsContact C-N 3.26Å; C1486-C1488 PolarHBondContact O-N 3.25Å; C1486-H1489 PolarHBondContact O-N 2.92Å; C1486-I1490 HydrophobicContact CB-CD1 3.89Å; C1486-I1490 HydrophobicContact CB-CG1 4.44Å; C1486-I1490 WeakPolarHBondContact O-CB 3.39Å; C1486-I1490 PolarHBondContact O-N 3.12Å; C1486-F1501 HydrophobicContact CB-CB 4.4Å; C1486-F1501 HydrophobicContact CB-CD1 3.66Å; C1486-F1501 HydrophobicContact CB-CD2 4.18Å; C1486-F1501 HydrophobicContact CB-CE1 3.87Å; C1486-F1501 HydrophobicContact CB-CE2 4.35Å; C1486-F1501 HydrophobicContact CB-CG 3.82Å; C1486-F1501 HydrophobicContact CB-CZ 4.2Å |
| 1487 | Q | 90.4 | Very high | 84.3 | Confident | 71 Ų | 71 | 57 Ų | 57 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -30.2 | 178.2 | -166 | 69.8 | 73.7 | 0 | 0 | 113.2 | L1483 H1484 W1485 M1499 V1500 F1501 | L1483-Q1487 PolarHBondContact O-N 2.8Å; L1483-Q1487 VanDerWaalsContact O-N 3.08Å; H1484-Q1487 WeakPolarHBondContact O-CB 3.43Å; H1484-Q1487 PolarHBondContact O-N 3.18Å; H1484-Q1487 VanDerWaalsContact O-N 3.12Å; W1485-Q1487 VanDerWaalsContact C-N 3.29Å; W1485-Q1487 PolarHBondContact O-N 3.14Å; Q1487-M1499 PolarHBondContact NE2-O 2.82Å; Q1487-M1499 VanDerWaalsContact NE2-O 3.13Å; Q1487-V1500 VanDerWaalsContact OE1-CA 3.3Å; Q1487-F1501 HydrophobicContact CB-CD2 4.27Å |
| 1488 | C | 88.2 | Confident | 84.6 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 55% | 0.554 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -89.6 | -33 | 179.2 | -62.4 | 0 | 0 | 0 | 0 | 113.5 | H1484 W1485 C1486 | H1484-C1488 PolarHBondContact O-N 3.35Å; W1485-C1488 PolarHBondContact O-N 2.81Å; W1485-C1488 VanDerWaalsContact O-N 3.15Å; C1486-C1488 VanDerWaalsContact C-N 3.26Å; C1486-C1488 PolarHBondContact O-N 3.25Å |
| 1489 | H | 90 | Very high | 84.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -106.3 | -7.8 | -169.8 | -59.3 | 83.1 | 0 | 0 | 0 | 114.4 | W1485 C1486 C1558 I1561 F1562 | W1485-H1489 AromaticContact CD1-CE1 3.4Å; W1485-H1489 AromaticContact CD1-ND1 3.4Å; W1485-H1489 HydrophobicContact CD2-CB 4.27Å; W1485-H1489 AromaticContact CD2-ND1 3.71Å; W1485-H1489 AromaticContact CE2-CE1 3.95Å; W1485-H1489 AromaticContact CE2-CG 3.52Å; W1485-H1489 AromaticContact CE2-ND1 3.44Å; W1485-H1489 HydrophobicContact CE3-CB 4.4Å; W1485-H1489 AromaticContact CG-ND1 3.66Å; W1485-H1489 HydrophobicContact CH2-CB 3.69Å; W1485-H1489 HydrophobicContact CZ2-CB 3.56Å; W1485-H1489 AromaticContact CZ2-CG 3.62Å; W1485-H1489 HydrophobicContact CZ3-CB 4.11Å; W1485-H1489 AromaticContact NE1-CD2 3.91Å; W1485-H1489 AromaticContact NE1-CE1 3.3Å; W1485-H1489 PolarHBondContact NE1-CE1 3.04Å; W1485-H1489 VanDerWaalsContact NE1-CE1 3.3Å; W1485-H1489 AromaticContact NE1-CG 3.66Å; W1485-H1489 AromaticContact NE1-ND1 3.26Å; W1485-H1489 PolarHBondContact NE1-ND1 2.7Å; W1485-H1489 AromaticContact NE1-NE2 3.71Å; W1485-H1489 PolarHBondContact O-N 2.92Å; W1485-H1489 PolarHBondContact O-ND1 3.38Å; C1486-H1489 PolarHBondContact O-N 2.92Å; H1489-C1558 PolarHBondContact NE2-O 2.8Å; H1489-I1561 WeakPolarHBondContact O-CA 3.36Å; H1489-F1562 PolarHBondContact O-N 3.11Å |
| 1490 | I | 92.6 | Very high | 84.9 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 104.9 | 178.4 | -53.6 | -179.5 | 0 | 0 | 0 | 111.1 | C1486 C1492 F1501 F1531 M1538 T1540 F1562 | C1486-I1490 HydrophobicContact CB-CD1 3.89Å; C1486-I1490 HydrophobicContact CB-CG1 4.44Å; C1486-I1490 WeakPolarHBondContact O-CB 3.39Å; C1486-I1490 PolarHBondContact O-N 3.12Å; I1490-C1492 PolarHBondContact O-N 3.34Å; I1490-F1501 HydrophobicContact CB-CE2 4.28Å; I1490-F1501 HydrophobicContact CB-CZ 4.02Å; I1490-F1501 HydrophobicContact CD1-CE1 4.26Å; I1490-F1501 HydrophobicContact CD1-CZ 3.99Å; I1490-F1501 HydrophobicContact CG2-CZ 4.15Å; I1490-F1531 HydrophobicContact CD1-CD1 3.91Å; I1490-F1531 HydrophobicContact CD1-CD2 4.25Å; I1490-F1531 HydrophobicContact CD1-CE1 3.97Å; I1490-F1531 HydrophobicContact CD1-CE2 4.3Å; I1490-F1531 HydrophobicContact CD1-CG 4.06Å; I1490-F1531 HydrophobicContact CD1-CZ 4.16Å; I1490-M1538 HydrophobicContact CD1-SD 4.38Å; I1490-M1538 HydrophobicContact CG2-SD 3.76Å; I1490-T1540 HydrophobicContact CG2-CG2 3.89Å; I1490-F1562 CarbonylContact C-O 3.57Å; I1490-F1562 VanDerWaalsContact CA-O 3.31Å; I1490-F1562 WeakPolarHBondContact CA-O 3.23Å; I1490-F1562 HydrophobicContact CG1-CB 4.45Å |
| 1491 | R | 90.4 | Very high | 85.1 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 106.7 | 174.8 | -71.8 | 172.2 | 168.5 | 169.7 | -8.1 | 109.8 | D1543 I1561 F1562 L1564 | R1491-D1543 WeakPolarHBondContact CD-OD2 3.1Å; R1491-D1543 IonicContact CZ-OD2 3.7Å; R1491-D1543 IonicContact NE-OD2 2.78Å; R1491-D1543 IonicContact NH1-OD2 3.23Å; R1491-D1543 PolarHBondContact NH1-OD2 2.78Å; R1491-I1561 HydrophobicContact CG-CG2 3.95Å; R1491-F1562 PolarHBondContact N-O 2.75Å; R1491-L1564 PolarHBondContact O-N 2.76Å |
| 1492 | C | 87.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | trans | -131.1 | 21.6 | -174.2 | 65.3 | 0 | 0 | 0 | 0 | 114.7 | I1490 S1494 L1495 L1564 | I1490-C1492 PolarHBondContact O-N 3.34Å; C1492-S1494 PolarHBondContact O-N 3.21Å; C1492-L1495 HydrophobicContact CB-CD1 4.41Å; C1492-L1495 WeakPolarHBondContact O-CB 3.45Å; C1492-L1495 PolarHBondContact O-N 2.85Å; C1492-L1564 HydrophobicContact CB-CB 4.41Å; C1492-L1564 HydrophobicContact CB-CD2 4.33Å | ||
| 1493 | D | 78.2 | Confident | 85 | Confident | 115 Ų | 115 | 51 Ų | 51 | 62% | 0.615 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -7.9 | -174.6 | -45.9 | -77.1 | 0 | 0 | 0 | 114.8 | L1495 | D1493-L1495 VanDerWaalsContact C-N 3.26Š|
| 1494 | S | 78.8 | Confident | 84.4 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 69% | 0.692 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.7 | 169.7 | 53 | 0 | 0 | 0 | 0 | 113.8 | C1492 | C1492-S1494 PolarHBondContact O-N 3.21Š|
| 1495 | L | 80.6 | Confident | 84.3 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -91.3 | 125.8 | 167.4 | -62.7 | 175.6 | 0 | 0 | 0 | 109.6 | C1492 D1493 P1497 T1498 M1499 L1564 K1567 P1568 | C1492-L1495 HydrophobicContact CB-CD1 4.41Å; C1492-L1495 WeakPolarHBondContact O-CB 3.45Å; C1492-L1495 PolarHBondContact O-N 2.85Å; D1493-L1495 VanDerWaalsContact C-N 3.26Å; L1495-P1497 CarbonylContact O-C 3.41Å; L1495-P1497 VanDerWaalsContact O-C 3.32Å; L1495-T1498 VanDerWaalsContact O-CA 3.31Å; L1495-T1498 WeakPolarHBondContact O-CA 3.47Å; L1495-T1498 PolarHBondContact O-N 3.1Å; L1495-M1499 HydrophobicContact CD1-CB 4.43Å; L1495-M1499 HydrophobicContact CD1-CE 3.52Å; L1495-L1564 HydrophobicContact CD1-CD2 3.81Å; L1495-L1564 HydrophobicContact CD2-CD2 4.04Å; L1495-L1564 HydrophobicContact CG-CD2 3.64Å; L1495-K1567 HydrophobicContact CD2-CG 4.35Å; L1495-P1568 HydrophobicContact CD1-CG 4.19Å |
| 1496 | L | 71.2 | Confident | 83.3 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -117.9 | 129.4 | 174.4 | -68.7 | 178.2 | 0 | 0 | 0 | 110.2 | D1660 Y1664 | L1496-D1660 HydrophobicContact CB-CB 4.35Å; L1496-Y1664 VanDerWaalsContact O-CE2 3.31Å; L1496-Y1664 WeakPolarHBondContact O-CE2 3.47Å; L1496-Y1664 PolarHBondContact O-OH 3.32Å |
| 1497 | P | 74.5 | Confident | 82.3 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | S | Bend | cis | -61.7 | 155.1 | -14.9 | 27.2 | -34.2 | 0 | 0 | 0 | 112.2 | L1495 D1660 L1712 | L1495-P1497 CarbonylContact O-C 3.41Å; L1495-P1497 VanDerWaalsContact O-C 3.32Å; P1497-D1660 WeakPolarHBondContact CB-OD2 3.45Å; P1497-L1712 HydrophobicContact CG-CD1 3.54Å; P1497-L1712 HydrophobicContact CG-CD2 4.01Å; P1497-L1712 HydrophobicContact CG-CG 4.41Å |
| 1498 | T | 77.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 141 | -177.8 | -45 | 0 | 0 | 0 | 0 | 111.8 | L1495 V1500 | L1495-T1498 VanDerWaalsContact O-CA 3.31Å; L1495-T1498 WeakPolarHBondContact O-CA 3.47Å; L1495-T1498 PolarHBondContact O-N 3.1Å; T1498-V1500 PolarHBondContact O-N 2.83Å |
| 1499 | M | 84.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -75 | 127.7 | -177 | -167 | -174.3 | -57 | 0 | 0 | 112.1 | Q1487 L1495 F1501 F1536 M1538 P1568 F1714 | Q1487-M1499 PolarHBondContact NE2-O 2.82Å; Q1487-M1499 VanDerWaalsContact NE2-O 3.13Å; L1495-M1499 HydrophobicContact CD1-CB 4.43Å; L1495-M1499 HydrophobicContact CD1-CE 3.52Å; M1499-F1501 HydrophobicContact SD-CD1 4.33Å; M1499-F1501 HydrophobicContact SD-CE1 4.08Å; M1499-F1501 HydrophobicContact SD-CZ 4.21Å; M1499-F1536 HydrophobicContact CE-CE1 3.96Å; M1499-F1536 HydrophobicContact CE-CE2 4.28Å; M1499-F1536 HydrophobicContact CE-CZ 3.74Å; M1499-F1536 HydrophobicContact SD-CE1 3.7Å; M1499-F1536 HydrophobicContact SD-CE2 4.21Å; M1499-F1536 HydrophobicContact SD-CZ 3.29Å; M1499-F1536 WeakPolarHBondContact SD-CZ 3.45Å; M1499-M1538 HydrophobicContact CE-CE 3.42Å; M1499-M1538 VanDerWaalsContact CE-CE 3.42Å; M1499-M1538 HydrophobicContact SD-CE 3.79Å; M1499-P1568 HydrophobicContact CE-CG 3.95Å; M1499-F1714 HydrophobicContact CE-CB 3.62Å; M1499-F1714 HydrophobicContact CE-CD1 4.18Å; M1499-F1714 HydrophobicContact CE-CG 3.94Å; M1499-F1714 HydrophobicContact CG-CB 4.38Å; M1499-F1714 HydrophobicContact SD-CB 4.44Å |
| 1500 | V | 85.4 | Confident | 81.1 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | trans | -96.7 | 111.4 | 165.9 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | Q1487 T1498 A1503 R1511 | Q1487-V1500 VanDerWaalsContact OE1-CA 3.3Å; T1498-V1500 PolarHBondContact O-N 2.83Å; V1500-A1503 HydrophobicContact CB-CB 4.07Å; V1500-A1503 HydrophobicContact CG1-CB 4.05Å; V1500-A1503 VanDerWaalsContact O-CB 3.31Å; V1500-A1503 WeakPolarHBondContact O-CB 3.37Å; V1500-A1503 PolarHBondContact O-N 3.47Å; V1500-R1511 PolarHBondContact O-NH1 2.98Å | ||
| 1501 | F | 89.3 | Confident | 81 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -42.5 | -176.7 | -78.9 | -87.8 | 0 | 0 | 0 | 111.9 | L1483 C1486 Q1487 I1490 M1499 A1503 R1511 F1533 M1538 | L1483-F1501 HydrophobicContact CB-CB 4.46Å; L1483-F1501 WeakPolarHBondContact O-CB 3.24Å; C1486-F1501 HydrophobicContact CB-CB 4.4Å; C1486-F1501 HydrophobicContact CB-CD1 3.66Å; C1486-F1501 HydrophobicContact CB-CD2 4.18Å; C1486-F1501 HydrophobicContact CB-CE1 3.87Å; C1486-F1501 HydrophobicContact CB-CE2 4.35Å; C1486-F1501 HydrophobicContact CB-CG 3.82Å; C1486-F1501 HydrophobicContact CB-CZ 4.2Å; Q1487-F1501 HydrophobicContact CB-CD2 4.27Å; I1490-F1501 HydrophobicContact CB-CE2 4.28Å; I1490-F1501 HydrophobicContact CB-CZ 4.02Å; I1490-F1501 HydrophobicContact CD1-CE1 4.26Å; I1490-F1501 HydrophobicContact CD1-CZ 3.99Å; I1490-F1501 HydrophobicContact CG2-CZ 4.15Å; M1499-F1501 HydrophobicContact SD-CD1 4.33Å; M1499-F1501 HydrophobicContact SD-CE1 4.08Å; M1499-F1501 HydrophobicContact SD-CZ 4.21Å; F1501-A1503 PolarHBondContact O-N 2.92Å; F1501-A1503 VanDerWaalsContact O-N 3.14Å; F1501-R1511 PolarHBondContact O-NH1 3.45Å; F1501-R1511 VanDerWaalsContact O-NH1 3.1Å; F1501-F1533 HydrophobicContact CD1-CE1 4.05Å; F1501-F1533 HydrophobicContact CD1-CE2 4.43Å; F1501-F1533 AromaticContact CD1-CZ 3.76Å; F1501-F1533 HydrophobicContact CD1-CZ 3.76Å; F1501-F1533 HydrophobicContact CE1-CE1 4.39Å; F1501-F1533 HydrophobicContact CE1-CE2 4.01Å; F1501-F1533 AromaticContact CE1-CZ 3.64Å; F1501-F1533 HydrophobicContact CE1-CZ 3.64Å; F1501-M1538 HydrophobicContact CE1-CE 3.98Å; F1501-M1538 HydrophobicContact CE1-SD 4.29Å; F1501-M1538 HydrophobicContact CZ-CE 3.76Å; F1501-M1538 HydrophobicContact CZ-SD 4.01Å |
| 1502 | N | 86 | Confident | 81.1 | Confident | 93 Ų | 93 | 52 Ų | 52 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 23.1 | 178.5 | -166.2 | 35.4 | 0 | 0 | 0 | 114.2 | L1480 L1483 | L1480-N1502 VanDerWaalsContact CD1-ND2 3.35Å; L1480-N1502 WeakPolarHBondContact CD1-ND2 3.48Å; L1480-N1502 VanDerWaalsContact CD1-OD1 3.22Å; L1480-N1502 WeakPolarHBondContact CD1-OD1 3.16Å; L1483-N1502 HydrophobicContact CB-CB 4.34Å |
| 1503 | A | 81.6 | Confident | 81.3 | Confident | 14 Ų | 14 | 54 Ų | 54 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -88.5 | 162.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1500 F1501 R1511 P1716 | V1500-A1503 HydrophobicContact CB-CB 4.07Å; V1500-A1503 HydrophobicContact CG1-CB 4.05Å; V1500-A1503 VanDerWaalsContact O-CB 3.31Å; V1500-A1503 WeakPolarHBondContact O-CB 3.37Å; V1500-A1503 PolarHBondContact O-N 3.47Å; F1501-A1503 PolarHBondContact O-N 2.92Å; F1501-A1503 VanDerWaalsContact O-N 3.14Å; A1503-R1511 PolarHBondContact O-N 2.65Å; A1503-P1716 HydrophobicContact CB-CG 3.8Å |
| 1504 | A | 79.4 | Confident | 82 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 143.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1716 | A1504-P1716 WeakPolarHBondContact O-CG 3.3Å |
| 1505 | T | 81.5 | Confident | 82.7 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 148.4 | 168.7 | 73.1 | 0 | 0 | 0 | 0 | 109.5 | R1507 L1508 G1509 R1511 D1535 | T1505-R1507 PolarHBondContact O-N 3.13Å; T1505-R1507 VanDerWaalsContact O-N 3.13Å; T1505-L1508 WeakPolarHBondContact OG1-CA 3.34Å; T1505-L1508 VanDerWaalsContact OG1-CB 3.29Å; T1505-L1508 WeakPolarHBondContact OG1-CB 3.4Å; T1505-L1508 PolarHBondContact OG1-N 2.72Å; T1505-G1509 WeakPolarHBondContact CB-O 3.39Å; T1505-G1509 PolarHBondContact N-O 3.46Å; T1505-G1509 PolarHBondContact OG1-N 3.03Å; T1505-G1509 PolarHBondContact OG1-O 3.29Å; T1505-R1511 HydrophobicContact CG2-CB 3.98Å; T1505-R1511 HydrophobicContact CG2-CG 4.47Å; T1505-D1535 HydrophobicContact CG2-CB 3.87Å; T1505-D1535 WeakPolarHBondContact CG2-OD2 3.47Å |
| 1506 | N | 69.8 | Low | 83.4 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.8 | -175 | -66.2 | -53.9 | 0 | 0 | 0 | 115 | L1712 S1715 P1716 S1717 | N1506-L1712 PolarHBondContact ND2-O 2.82Å; N1506-S1715 PolarHBondContact ND2-O 3.45Å; N1506-P1716 WeakPolarHBondContact OD1-CA 3.31Å; N1506-S1717 PolarHBondContact OD1-N 3Å; N1506-S1717 PolarHBondContact OD1-OG 3.09Å; N1506-S1717 VanDerWaalsContact OD1-OG 3.04Å |
| 1507 | R | 71.1 | Confident | 84.3 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -13.7 | -170.5 | -54.6 | -174.6 | -171.2 | 179.4 | 1.9 | 114.9 | T1505 I1631 E1711 | T1505-R1507 PolarHBondContact O-N 3.13Å; T1505-R1507 VanDerWaalsContact O-N 3.13Å; R1507-I1631 HydrophobicContact CG-CD1 4.44Å; R1507-E1711 IonicContact CZ-OE1 3.18Å; R1507-E1711 IonicContact NE-OE1 3.67Å; R1507-E1711 IonicContact NH2-OE1 2.69Å; R1507-E1711 PolarHBondContact NH2-OE1 3.06Å; R1507-E1711 IonicContact NH2-OE2 3.63Å; R1507-E1711 PolarHBondContact NH2-OE2 3.33Å |
| 1508 | L | 77.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -4.1 | -170.9 | -44 | -178.8 | 0 | 0 | 0 | 114.3 | T1505 N1534 D1535 A1624 R1627 | T1505-L1508 WeakPolarHBondContact OG1-CA 3.34Å; T1505-L1508 VanDerWaalsContact OG1-CB 3.29Å; T1505-L1508 WeakPolarHBondContact OG1-CB 3.4Å; T1505-L1508 PolarHBondContact OG1-N 2.72Å; L1508-N1534 HydrophobicContact CD1-CB 4.35Å; L1508-N1534 WeakPolarHBondContact CD1-O 3.39Å; L1508-D1535 HydrophobicContact CD1-CB 4.06Å; L1508-A1624 HydrophobicContact CD1-CB 4.14Å; L1508-R1627 HydrophobicContact CD2-CB 3.59Å; L1508-R1627 HydrophobicContact CD2-CG 4.34Å; L1508-R1627 PolarHBondContact O-NH1 3.19Å |
| 1509 | G | 80.8 | Confident | 86 | Confident | 33 Ų | 33 | 39.3 Ų | 39.3 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.5 | -154.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1505 | T1505-G1509 WeakPolarHBondContact CB-O 3.39Å; T1505-G1509 PolarHBondContact N-O 3.46Å; T1505-G1509 PolarHBondContact OG1-N 3.03Å; T1505-G1509 PolarHBondContact OG1-O 3.29Å |
| 1510 | P | 84.9 | Confident | 86.4 | Confident | 101 Ų | 101 | 42.1 Ų | 42.1 | 66% | 0.656 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 146.5 | 174.4 | -25.8 | 35.1 | 0 | 0 | 0 | 112.5 | N1534 | P1510-N1534 PolarHBondContact O-ND2 3.26Å; P1510-N1534 VanDerWaalsContact O-ND2 3.08Å |
| 1511 | R | 91.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | trans | -64.3 | 145.1 | 170 | -172.3 | 165 | -67.3 | 121.7 | -2.2 | 109.9 | N1479 L1483 V1500 F1501 A1503 T1505 F1533 N1534 D1535 F1714 | N1479-R1511 PolarHBondContact ND2-O 2.86Å; L1483-R1511 HydrophobicContact CD1-CB 4.29Å; L1483-R1511 WeakPolarHBondContact CD1-O 3.11Å; L1483-R1511 HydrophobicContact CD2-CB 4.44Å; L1483-R1511 HydrophobicContact CD2-CG 4.04Å; V1500-R1511 PolarHBondContact O-NH1 2.98Å; F1501-R1511 PolarHBondContact O-NH1 3.45Å; F1501-R1511 VanDerWaalsContact O-NH1 3.1Å; A1503-R1511 PolarHBondContact O-N 2.65Å; T1505-R1511 HydrophobicContact CG2-CB 3.98Å; T1505-R1511 HydrophobicContact CG2-CG 4.47Å; R1511-F1533 HydrophobicContact CG-CB 4.1Å; R1511-F1533 HydrophobicContact CG-CD1 3.89Å; R1511-F1533 HydrophobicContact CG-CG 4.3Å; R1511-N1534 WeakPolarHBondContact CA-OD1 3.39Å; R1511-D1535 IonicContact CZ-OD1 3.23Å; R1511-D1535 IonicContact CZ-OD2 3.32Å; R1511-D1535 IonicContact NE-OD1 3.79Å; R1511-D1535 PolarHBondContact NE-OD1 2.95Å; R1511-D1535 IonicContact NE-OD2 3.48Å; R1511-D1535 PolarHBondContact NE-OD2 3.26Å; R1511-D1535 VanDerWaalsContact NE-OD2 3.13Å; R1511-D1535 IonicContact NH2-OD2 2.67Å; R1511-D1535 PolarHBondContact NH2-OD2 3.41Å; R1511-F1714 PolarHBondContact NH2-O 3.18Å | ||
| 1512 | R | 90.8 | Very high | 86.5 | Confident | 120 Ų | 120 | 43.2 Ų | 43.2 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | trans | -131.7 | 131.3 | 174.3 | -59.6 | -169.4 | -62.3 | 153.1 | 3.2 | 110.3 | N1479 F1533 N1534 | N1479-R1512 WeakPolarHBondContact OD1-CA 3.19Å; R1512-F1533 CarbonylContact O-C 3.57Å; R1512-F1533 WeakPolarHBondContact O-CA 3.45Å; R1512-F1533 WeakPolarHBondContact O-CB 3.14Å; R1512-N1534 HydrophobicContact CB-CB 4.43Å; R1512-N1534 PolarHBondContact N-OD1 3.25Å; R1512-N1534 PolarHBondContact O-N 3.26Å | ||
| 1513 | F | 92.7 | Very high | 86.3 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.1 | 165.6 | 177.2 | -107.1 | 0 | 0 | 0 | 108.9 | N1479 M1482 F1531 F1533 | N1479-F1513 PolarHBondContact OD1-N 2.69Å; M1482-F1513 HydrophobicContact CB-CB 4.35Å; M1482-F1513 HydrophobicContact CB-CD1 4.14Å; M1482-F1513 HydrophobicContact CB-CG 4.32Å; M1482-F1513 HydrophobicContact CG-CD1 4.32Å; M1482-F1513 HydrophobicContact SD-CD1 4.46Å; M1482-F1513 HydrophobicContact SD-CE1 4.21Å; F1513-F1531 HydrophobicContact CE2-CD1 4.08Å; F1513-F1533 HydrophobicContact CB-CD1 4.28Å; F1513-F1533 HydrophobicContact CB-CE1 4.2Å; F1513-F1533 HydrophobicContact CD2-CD1 4.43Å; F1513-F1533 AromaticContact CD2-CE1 3.94Å; F1513-F1533 HydrophobicContact CD2-CE1 3.94Å; F1513-F1533 HydrophobicContact CD2-CZ 4.26Å |
| 1514 | I | 92.7 | Very high | 86.6 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -45.8 | -175 | -62.9 | -178.1 | 0 | 0 | 0 | 111.2 | L1532 N1534 Q1616 A1620 | I1514-L1532 HydrophobicContact CB-CD2 4.32Å; I1514-L1532 HydrophobicContact CB-CG 4.15Å; I1514-L1532 HydrophobicContact CG2-CD2 4.01Å; I1514-L1532 HydrophobicContact CG2-CG 4.38Å; I1514-L1532 PolarHBondContact N-O 3Å; I1514-N1534 HydrophobicContact CD1-CB 4.07Å; I1514-Q1616 HydrophobicContact CG2-CB 4.21Å; I1514-A1620 HydrophobicContact CD1-CB 3.8Å |
| 1515 | H | 93.9 | Very high | 86.9 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 153.7 | -175.9 | -168.8 | 45.8 | 0 | 0 | 0 | 111.8 | L1532 W1613 Q1616 | H1515-L1532 HydrophobicContact CB-CB 4.23Å; H1515-L1532 HydrophobicContact CB-CD2 4.4Å; H1515-L1532 PolarHBondContact N-O 2.79Å; H1515-L1532 PolarHBondContact O-N 3.18Å; H1515-W1613 AromaticContact CD2-CD2 3.8Å; H1515-W1613 AromaticContact CD2-CE2 3.7Å; H1515-W1613 AromaticContact CD2-CZ2 3.84Å; H1515-W1613 AromaticContact NE2-CE2 3.86Å; H1515-W1613 AromaticContact NE2-NE1 3.89Å; H1515-Q1616 HydrophobicContact CB-CB 4.46Å; H1515-Q1616 HydrophobicContact CB-CG 4.26Å |
| 1516 | S | 93.7 | Very high | 87.3 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.9 | 162.7 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | G1530 | S1516-G1530 WeakPolarHBondContact CA-O 3.45Å; S1516-G1530 VanDerWaalsContact CB-O 3.29Å; S1516-G1530 WeakPolarHBondContact CB-O 3.47Å |
| 1517 | G | 91.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 171 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1530 | G1517-G1530 PolarHBondContact N-O 3.23Å; G1517-G1530 PolarHBondContact O-N 2.68Å |
| 1518 | I | 93.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.4 | 179.5 | -58.4 | -50.3 | 0 | 0 | 0 | 111.5 | Y1520 L1527 V1529 I1546 P1549 F1552 | I1518-Y1520 HydrophobicContact CG2-CD2 4.36Å; I1518-Y1520 HydrophobicContact CG2-CE2 3.75Å; I1518-L1527 HydrophobicContact CD1-CD2 4.38Å; I1518-L1527 HydrophobicContact CG2-CD1 4.06Å; I1518-L1527 HydrophobicContact CG2-CG 4.03Å; I1518-V1529 HydrophobicContact CD1-CG2 3.63Å; I1518-I1546 HydrophobicContact CD1-CD1 3.86Å; I1518-P1549 HydrophobicContact CG1-CB 4.07Å; I1518-P1549 WeakPolarHBondContact CG1-O 3.25Å; I1518-P1549 HydrophobicContact CG2-CB 4.14Å; I1518-F1552 HydrophobicContact CD1-CD1 3.68Å; I1518-F1552 HydrophobicContact CD1-CE1 4.29Å; I1518-F1552 HydrophobicContact CD1-CG 4.45Å; I1518-F1552 HydrophobicContact CG1-CD1 4.21Å |
| 1519 | L | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136 | 174.3 | -68.2 | 174.9 | 0 | 0 | 0 | 109.7 | L1528 L1539 F1591 L1602 A1604 W1613 | L1519-L1528 PolarHBondContact N-O 3.12Å; L1519-L1528 CarbonylContact O-C 3.55Å; L1519-L1528 WeakPolarHBondContact O-CA 3.5Å; L1519-L1528 WeakPolarHBondContact O-CB 3.33Å; L1519-L1528 PolarHBondContact O-N 3.43Å; L1519-L1539 HydrophobicContact CD1-CD2 4.21Å; L1519-F1591 HydrophobicContact CD1-CZ 4.23Å; L1519-F1591 HydrophobicContact CD2-CE1 3.79Å; L1519-F1591 HydrophobicContact CD2-CZ 3.64Å; L1519-L1602 HydrophobicContact CD1-CD1 4.24Å; L1519-A1604 HydrophobicContact CD2-CB 4.37Å; L1519-W1613 HydrophobicContact CD1-CD2 4.14Å; L1519-W1613 HydrophobicContact CD1-CE3 4.35Å; L1519-W1613 HydrophobicContact CD1-CH2 4.01Å; L1519-W1613 HydrophobicContact CD1-CZ2 3.74Å; L1519-W1613 HydrophobicContact CD1-CZ3 4.29Å; L1519-W1613 HydrophobicContact CD2-CD2 4.2Å; L1519-W1613 HydrophobicContact CD2-CG 4.16Å; L1519-W1613 HydrophobicContact CD2-CZ2 4.49Å; L1519-W1613 HydrophobicContact CG-CZ2 4.01Å |
| 1520 | Y | 93 | Very high | 91 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137 | 175.4 | -61.6 | -88.7 | 0 | 0 | 0 | 110.5 | I1518 A1522 R1526 L1527 P1549 L1602 K1603 I1605 | I1518-Y1520 HydrophobicContact CG2-CD2 4.36Å; I1518-Y1520 HydrophobicContact CG2-CE2 3.75Å; Y1520-A1522 PolarHBondContact O-N 2.75Å; Y1520-R1526 WeakPolarHBondContact CA-O 3.44Å; Y1520-L1527 HydrophobicContact CD1-CB 4.2Å; Y1520-L1527 HydrophobicContact CE1-CB 3.94Å; Y1520-L1527 HydrophobicContact CE1-CD1 4.18Å; Y1520-L1527 HydrophobicContact CE1-CG 4.28Å; Y1520-P1549 WeakPolarHBondContact OH-CB 3.01Å; Y1520-L1602 CarbonylContact O-C 3.57Å; Y1520-L1602 WeakPolarHBondContact O-CA 2.92Å; Y1520-K1603 PolarHBondContact N-O 2.8Å; Y1520-K1603 PolarHBondContact O-N 3.48Å; Y1520-I1605 HydrophobicContact CE2-CB 4.47Å; Y1520-I1605 HydrophobicContact CE2-CG1 4.46Å |
| 1521 | K | 91.5 | Very high | 91.5 | Very high | 71 Ų | 71 | 45 Ų | 45 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 111.4 | 171.5 | 178.4 | 177.6 | 168.9 | -167.9 | 0 | 109.8 | K1523 S1524 S1525 R1526 L1528 Y1565 | K1521-K1523 VanDerWaalsContact C-N 3.27Å; K1521-K1523 PolarHBondContact O-N 2.94Å; K1521-S1524 PolarHBondContact O-N 2.68Å; K1521-S1525 PolarHBondContact O-N 3.16Å; K1521-R1526 HydrophobicContact CB-CB 4.5Å; K1521-R1526 PolarHBondContact N-O 3Å; K1521-L1528 HydrophobicContact CB-CD1 4.39Å; K1521-Y1565 WeakPolarHBondContact CD-OH 3.37Å; K1521-Y1565 PolarHBondContact NZ-OH 3.5Å |
| 1522 | A | 85.1 | Confident | 91.8 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -35.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1520 H1601 | Y1520-A1522 PolarHBondContact O-N 2.75Å; A1522-H1601 HydrophobicContact CB-CB 3.88Å; A1522-H1601 PolarHBondContact N-O 2.73Å |
| 1523 | K | 83.1 | Confident | 92 | Very high | 176 Ų | 176 | 39.2 Ų | 39.2 | 77% | 0.765 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -7.2 | -179.7 | -68.1 | -170.4 | 176.3 | -175.5 | 0 | 115.6 | K1521 | K1521-K1523 VanDerWaalsContact C-N 3.27Å; K1521-K1523 PolarHBondContact O-N 2.94Å |
| 1524 | S | 87.2 | Confident | 91.9 | Very high | 64 Ų | 64 | 37 Ų | 37 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.5 | 9.1 | -175.5 | 80.6 | 0 | 0 | 0 | 0 | 114.9 | K1521 R1526 | K1521-S1524 PolarHBondContact O-N 2.68Å; S1524-R1526 PolarHBondContact O-N 3.41Å |
| 1525 | S | 85.1 | Confident | 91.9 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 66% | 0.664 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 18.8 | -179 | -56.3 | 0 | 0 | 0 | 0 | 116.2 | K1521 L1527 | K1521-S1525 PolarHBondContact O-N 3.16Å; S1525-L1527 PolarHBondContact O-N 3.29Å |
| 1526 | R | 90.7 | Very high | 91.8 | Very high | 125 Ų | 125 | 34 Ų | 34 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 122.3 | 178.1 | -179.7 | 169.7 | 180 | 152.7 | -2.5 | 108.1 | Y1520 K1521 S1524 L1528 | Y1520-R1526 WeakPolarHBondContact CA-O 3.44Å; K1521-R1526 HydrophobicContact CB-CB 4.5Å; K1521-R1526 PolarHBondContact N-O 3Å; S1524-R1526 PolarHBondContact O-N 3.41Å; R1526-L1528 HydrophobicContact CG-CD2 4.35Å |
| 1527 | L | 92.7 | Very high | 91.9 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.199 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 131 | 170.6 | -175.9 | 150.4 | 0 | 0 | 0 | 109.4 | I1518 Y1520 S1525 V1529 P1542 I1546 P1549 | I1518-L1527 HydrophobicContact CD1-CD2 4.38Å; I1518-L1527 HydrophobicContact CG2-CD1 4.06Å; I1518-L1527 HydrophobicContact CG2-CG 4.03Å; Y1520-L1527 HydrophobicContact CD1-CB 4.2Å; Y1520-L1527 HydrophobicContact CE1-CB 3.94Å; Y1520-L1527 HydrophobicContact CE1-CD1 4.18Å; Y1520-L1527 HydrophobicContact CE1-CG 4.28Å; S1525-L1527 PolarHBondContact O-N 3.29Å; L1527-V1529 HydrophobicContact CD2-CG2 4.43Å; L1527-P1542 HydrophobicContact CD2-CG 3.85Å; L1527-I1546 HydrophobicContact CD2-CD1 4.36Å; L1527-P1549 HydrophobicContact CD1-CB 3.85Å; L1527-P1549 HydrophobicContact CD1-CG 3.61Å |
| 1528 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156 | 171.1 | -53.9 | 175.8 | 0 | 0 | 0 | 107.7 | L1519 K1521 R1526 L1539 T1540 T1541 Y1565 L1602 | L1519-L1528 PolarHBondContact N-O 3.12Å; L1519-L1528 CarbonylContact O-C 3.55Å; L1519-L1528 WeakPolarHBondContact O-CA 3.5Å; L1519-L1528 WeakPolarHBondContact O-CB 3.33Å; L1519-L1528 PolarHBondContact O-N 3.43Å; K1521-L1528 HydrophobicContact CB-CD1 4.39Å; R1526-L1528 HydrophobicContact CG-CD2 4.35Å; L1528-L1539 HydrophobicContact CD1-CB 4.47Å; L1528-L1539 HydrophobicContact CD1-CD1 4.22Å; L1528-T1540 CarbonylContact C-O 3.4Å; L1528-T1540 WeakPolarHBondContact CA-O 3.44Å; L1528-T1540 WeakPolarHBondContact CB-O 3.07Å; L1528-T1541 HydrophobicContact CD2-CG2 3.54Å; L1528-Y1565 HydrophobicContact CD1-CD1 3.88Å; L1528-Y1565 HydrophobicContact CD1-CE1 4.05Å; L1528-Y1565 HydrophobicContact CD2-CD1 3.69Å; L1528-Y1565 HydrophobicContact CD2-CD2 3.79Å; L1528-Y1565 HydrophobicContact CD2-CE1 4.07Å; L1528-Y1565 HydrophobicContact CD2-CE2 4.17Å; L1528-Y1565 HydrophobicContact CD2-CG 3.56Å; L1528-Y1565 HydrophobicContact CG-CD1 4.48Å; L1528-L1602 HydrophobicContact CD1-CD2 4.2Å |
| 1529 | V | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.3 | 164 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | I1518 L1527 F1531 T1540 I1546 V1554 F1562 | I1518-V1529 HydrophobicContact CD1-CG2 3.63Å; L1527-V1529 HydrophobicContact CD2-CG2 4.43Å; V1529-F1531 HydrophobicContact CB-CD2 4.49Å; V1529-F1531 HydrophobicContact CB-CE2 3.85Å; V1529-F1531 HydrophobicContact CG1-CD2 4.13Å; V1529-F1531 HydrophobicContact CG1-CE2 3.48Å; V1529-F1531 VanDerWaalsContact CG1-CE2 3.48Å; V1529-F1531 HydrophobicContact CG1-CZ 3.93Å; V1529-T1540 PolarHBondContact N-O 3.32Å; V1529-T1540 PolarHBondContact O-N 3.43Å; V1529-T1540 PolarHBondContact O-OG1 3.4Å; V1529-I1546 HydrophobicContact CG2-CD1 4.01Å; V1529-V1554 HydrophobicContact CG1-CG2 4.48Å; V1529-F1562 HydrophobicContact CB-CD1 4.16Å; V1529-F1562 HydrophobicContact CB-CE1 4.06Å; V1529-F1562 HydrophobicContact CG1-CE1 4.39Å; V1529-F1562 HydrophobicContact CG2-CD1 3.97Å; V1529-F1562 HydrophobicContact CG2-CE1 3.54Å |
| 1530 | G | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 136 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1516 G1517 | S1516-G1530 WeakPolarHBondContact CA-O 3.45Å; S1516-G1530 VanDerWaalsContact CB-O 3.29Å; S1516-G1530 WeakPolarHBondContact CB-O 3.47Å; G1517-G1530 PolarHBondContact N-O 3.23Å; G1517-G1530 PolarHBondContact O-N 2.68Å |
| 1531 | F | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 108.4 | 172.3 | -69.5 | -98.3 | 0 | 0 | 0 | 108.4 | W1485 I1490 F1513 V1529 F1533 M1538 T1540 V1554 F1562 | W1485-F1531 HydrophobicContact CH2-CE1 4.35Å; W1485-F1531 HydrophobicContact CH2-CZ 4.38Å; W1485-F1531 AromaticContact CZ3-CE1 3.77Å; W1485-F1531 HydrophobicContact CZ3-CE1 3.77Å; W1485-F1531 HydrophobicContact CZ3-CZ 4.19Å; I1490-F1531 HydrophobicContact CD1-CD1 3.91Å; I1490-F1531 HydrophobicContact CD1-CD2 4.25Å; I1490-F1531 HydrophobicContact CD1-CE1 3.97Å; I1490-F1531 HydrophobicContact CD1-CE2 4.3Å; I1490-F1531 HydrophobicContact CD1-CG 4.06Å; I1490-F1531 HydrophobicContact CD1-CZ 4.16Å; F1513-F1531 HydrophobicContact CE2-CD1 4.08Å; V1529-F1531 HydrophobicContact CB-CD2 4.49Å; V1529-F1531 HydrophobicContact CB-CE2 3.85Å; V1529-F1531 HydrophobicContact CG1-CD2 4.13Å; V1529-F1531 HydrophobicContact CG1-CE2 3.48Å; V1529-F1531 VanDerWaalsContact CG1-CE2 3.48Å; V1529-F1531 HydrophobicContact CG1-CZ 3.93Å; F1531-F1533 HydrophobicContact CB-CE2 3.74Å; F1531-F1533 HydrophobicContact CB-CZ 4.25Å; F1531-M1538 HydrophobicContact CB-CB 4.32Å; F1531-M1538 PolarHBondContact N-O 2.93Å; F1531-M1538 PolarHBondContact O-N 3.33Å; F1531-T1540 HydrophobicContact CD2-CG2 4.06Å; F1531-T1540 HydrophobicContact CE2-CG2 4.18Å; F1531-T1540 WeakPolarHBondContact CE2-OG1 3.3Å; F1531-V1554 HydrophobicContact CE1-CG1 4.21Å; F1531-V1554 HydrophobicContact CE1-CG2 3.97Å; F1531-V1554 HydrophobicContact CZ-CG2 3.9Å; F1531-F1562 HydrophobicContact CE2-CD1 4.35Å; F1531-F1562 HydrophobicContact CE2-CG 4.3Å; F1531-F1562 HydrophobicContact CZ-CD2 4.2Å; F1531-F1562 HydrophobicContact CZ-CE2 4.42Å; F1531-F1562 HydrophobicContact CZ-CG 4.28Å |
| 1532 | L | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.8 | -178.3 | -177.8 | 60.6 | 0 | 0 | 0 | 110.5 | I1514 H1515 L1537 L1571 W1613 Q1616 L1617 | I1514-L1532 HydrophobicContact CB-CD2 4.32Å; I1514-L1532 HydrophobicContact CB-CG 4.15Å; I1514-L1532 HydrophobicContact CG2-CD2 4.01Å; I1514-L1532 HydrophobicContact CG2-CG 4.38Å; I1514-L1532 PolarHBondContact N-O 3Å; H1515-L1532 HydrophobicContact CB-CB 4.23Å; H1515-L1532 HydrophobicContact CB-CD2 4.4Å; H1515-L1532 PolarHBondContact N-O 2.79Å; H1515-L1532 PolarHBondContact O-N 3.18Å; L1532-L1537 HydrophobicContact CB-CD1 4.19Å; L1532-L1537 HydrophobicContact CD1-CB 4.16Å; L1532-L1537 HydrophobicContact CD1-CD1 4.27Å; L1532-L1571 HydrophobicContact CD1-CD1 3.82Å; L1532-L1571 HydrophobicContact CD1-CD2 4.18Å; L1532-W1613 HydrophobicContact CB-CZ3 4.08Å; L1532-Q1616 HydrophobicContact CD2-CB 3.75Å; L1532-L1617 HydrophobicContact CD1-CD2 3.61Å; L1532-L1617 HydrophobicContact CD2-CD2 3.98Å; L1532-L1617 HydrophobicContact CD2-CG 4.25Å; L1532-L1617 HydrophobicContact CG-CD2 4.43Å |
| 1533 | F | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 174 | 171.4 | -57 | -90.7 | 0 | 0 | 0 | 110 | L1483 F1501 R1511 R1512 F1513 F1531 D1535 F1536 L1571 | L1483-F1533 HydrophobicContact CD2-CD1 3.98Å; L1483-F1533 HydrophobicContact CD2-CE1 3.75Å; F1501-F1533 HydrophobicContact CD1-CE1 4.05Å; F1501-F1533 HydrophobicContact CD1-CE2 4.43Å; F1501-F1533 AromaticContact CD1-CZ 3.76Å; F1501-F1533 HydrophobicContact CD1-CZ 3.76Å; F1501-F1533 HydrophobicContact CE1-CE1 4.39Å; F1501-F1533 HydrophobicContact CE1-CE2 4.01Å; F1501-F1533 AromaticContact CE1-CZ 3.64Å; F1501-F1533 HydrophobicContact CE1-CZ 3.64Å; R1511-F1533 HydrophobicContact CG-CB 4.1Å; R1511-F1533 HydrophobicContact CG-CD1 3.89Å; R1511-F1533 HydrophobicContact CG-CG 4.3Å; R1512-F1533 CarbonylContact O-C 3.57Å; R1512-F1533 WeakPolarHBondContact O-CA 3.45Å; R1512-F1533 WeakPolarHBondContact O-CB 3.14Å; F1513-F1533 HydrophobicContact CB-CD1 4.28Å; F1513-F1533 HydrophobicContact CB-CE1 4.2Å; F1513-F1533 HydrophobicContact CD2-CD1 4.43Å; F1513-F1533 AromaticContact CD2-CE1 3.94Å; F1513-F1533 HydrophobicContact CD2-CE1 3.94Å; F1513-F1533 HydrophobicContact CD2-CZ 4.26Å; F1531-F1533 HydrophobicContact CB-CE2 3.74Å; F1531-F1533 HydrophobicContact CB-CZ 4.25Å; F1533-D1535 VanDerWaalsContact C-N 3.27Å; F1533-D1535 PolarHBondContact O-N 3.01Å; F1533-F1536 HydrophobicContact CB-CE2 4.43Å; F1533-F1536 AromaticContact CD2-CD2 3.8Å; F1533-F1536 HydrophobicContact CD2-CD2 3.8Å; F1533-F1536 AromaticContact CD2-CE2 3.18Å; F1533-F1536 HydrophobicContact CD2-CE2 3.18Å; F1533-F1536 AromaticContact CD2-CZ 3.72Å; F1533-F1536 HydrophobicContact CD2-CZ 3.72Å; F1533-F1536 AromaticContact CE2-CE2 3.6Å; F1533-F1536 HydrophobicContact CE2-CE2 3.6Å; F1533-F1536 HydrophobicContact CE2-CZ 4.14Å; F1533-F1536 HydrophobicContact CG-CE2 4.02Å; F1533-F1536 HydrophobicContact CG-CZ 4.16Å; F1533-F1536 PolarHBondContact N-O 3.42Å; F1533-L1571 WeakPolarHBondContact O-CD1 3.22Å |
| 1534 | N | 92.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -67.9 | -23.5 | 177.2 | 58.9 | -32.3 | 0 | 0 | 0 | 114.1 | L1508 P1510 R1511 R1512 I1514 | L1508-N1534 HydrophobicContact CD1-CB 4.35Å; L1508-N1534 WeakPolarHBondContact CD1-O 3.39Å; P1510-N1534 PolarHBondContact O-ND2 3.26Å; P1510-N1534 VanDerWaalsContact O-ND2 3.08Å; R1511-N1534 WeakPolarHBondContact CA-OD1 3.39Å; R1512-N1534 HydrophobicContact CB-CB 4.43Å; R1512-N1534 PolarHBondContact N-OD1 3.25Å; R1512-N1534 PolarHBondContact O-N 3.26Å; I1514-N1534 HydrophobicContact CD1-CB 4.07Å |
| 1535 | D | 91.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -103.4 | -32.5 | -179.3 | 56.9 | -32 | 0 | 0 | 0 | 114.8 | T1505 L1508 R1511 F1533 L1571 | T1505-D1535 HydrophobicContact CG2-CB 3.87Å; T1505-D1535 WeakPolarHBondContact CG2-OD2 3.47Å; L1508-D1535 HydrophobicContact CD1-CB 4.06Å; R1511-D1535 IonicContact CZ-OD1 3.23Å; R1511-D1535 IonicContact CZ-OD2 3.32Å; R1511-D1535 IonicContact NE-OD1 3.79Å; R1511-D1535 PolarHBondContact NE-OD1 2.95Å; R1511-D1535 IonicContact NE-OD2 3.48Å; R1511-D1535 PolarHBondContact NE-OD2 3.26Å; R1511-D1535 VanDerWaalsContact NE-OD2 3.13Å; R1511-D1535 IonicContact NH2-OD2 2.67Å; R1511-D1535 PolarHBondContact NH2-OD2 3.41Å; F1533-D1535 VanDerWaalsContact C-N 3.27Å; F1533-D1535 PolarHBondContact O-N 3.01Å; D1535-L1571 PolarHBondContact O-N 3.14Å |
| 1536 | F | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.3 | 178.9 | 59.5 | -101.4 | 0 | 0 | 0 | 114.6 | M1499 F1533 M1538 P1568 L1569 M1570 F1714 | M1499-F1536 HydrophobicContact CE-CE1 3.96Å; M1499-F1536 HydrophobicContact CE-CE2 4.28Å; M1499-F1536 HydrophobicContact CE-CZ 3.74Å; M1499-F1536 HydrophobicContact SD-CE1 3.7Å; M1499-F1536 HydrophobicContact SD-CE2 4.21Å; M1499-F1536 HydrophobicContact SD-CZ 3.29Å; M1499-F1536 WeakPolarHBondContact SD-CZ 3.45Å; F1533-F1536 HydrophobicContact CB-CE2 4.43Å; F1533-F1536 AromaticContact CD2-CD2 3.8Å; F1533-F1536 HydrophobicContact CD2-CD2 3.8Å; F1533-F1536 AromaticContact CD2-CE2 3.18Å; F1533-F1536 HydrophobicContact CD2-CE2 3.18Å; F1533-F1536 AromaticContact CD2-CZ 3.72Å; F1533-F1536 HydrophobicContact CD2-CZ 3.72Å; F1533-F1536 AromaticContact CE2-CE2 3.6Å; F1533-F1536 HydrophobicContact CE2-CE2 3.6Å; F1533-F1536 HydrophobicContact CE2-CZ 4.14Å; F1533-F1536 HydrophobicContact CG-CE2 4.02Å; F1533-F1536 HydrophobicContact CG-CZ 4.16Å; F1533-F1536 PolarHBondContact N-O 3.42Å; F1536-M1538 HydrophobicContact CD2-CB 3.98Å; F1536-M1538 HydrophobicContact CE2-CB 3.84Å; F1536-M1538 HydrophobicContact CE2-CE 3.86Å; F1536-M1538 HydrophobicContact CZ-CE 4.25Å; F1536-P1568 HydrophobicContact CB-CB 4.12Å; F1536-P1568 HydrophobicContact CD2-CB 3.68Å; F1536-P1568 HydrophobicContact CD2-CG 4.38Å; F1536-P1568 HydrophobicContact CE2-CB 4.35Å; F1536-P1568 HydrophobicContact CG-CB 3.97Å; F1536-L1569 CarbonylContact C-O 3.58Å; F1536-L1569 WeakPolarHBondContact CA-O 3.37Å; F1536-L1569 VanDerWaalsContact CB-O 3.32Å; F1536-L1569 WeakPolarHBondContact CB-O 3.35Å; F1536-M1570 HydrophobicContact CB-CE 4.12Å; F1536-M1570 HydrophobicContact CD1-CE 4.06Å; F1536-F1714 HydrophobicContact CB-CD1 4.44Å; F1536-F1714 HydrophobicContact CB-CE1 4.42Å; F1536-F1714 AromaticContact CD1-CD1 3.75Å; F1536-F1714 HydrophobicContact CD1-CD1 3.75Å; F1536-F1714 HydrophobicContact CE1-CD1 4.26Å; F1536-F1714 HydrophobicContact CG-CD1 4.16Å |
| 1537 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.5 | 159 | 176 | 64.5 | 0 | 0 | 0 | 109.5 | L1532 L1539 L1569 L1571 L1593 W1613 L1617 | L1532-L1537 HydrophobicContact CB-CD1 4.19Å; L1532-L1537 HydrophobicContact CD1-CB 4.16Å; L1532-L1537 HydrophobicContact CD1-CD1 4.27Å; L1537-L1539 HydrophobicContact CD2-CD2 4.37Å; L1537-L1539 HydrophobicContact CG-CD2 4.4Å; L1537-L1569 HydrophobicContact CB-CB 4.46Å; L1537-L1569 PolarHBondContact N-O 3.2Å; L1537-L1569 PolarHBondContact O-N 2.88Å; L1537-L1571 HydrophobicContact CB-CD2 4.23Å; L1537-L1593 HydrophobicContact CD2-CD1 4.48Å; L1537-L1593 HydrophobicContact CD2-CD2 3.82Å; L1537-W1613 HydrophobicContact CD1-CH2 4.17Å; L1537-W1613 HydrophobicContact CD1-CZ3 3.74Å; L1537-L1617 HydrophobicContact CD2-CD2 4.28Å |
| 1538 | M | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 141.4 | 170.1 | -177.5 | 178.5 | -73 | 0 | 0 | 109.8 | I1490 M1499 F1501 F1531 F1536 T1540 L1564 P1568 | I1490-M1538 HydrophobicContact CD1-SD 4.38Å; I1490-M1538 HydrophobicContact CG2-SD 3.76Å; M1499-M1538 HydrophobicContact CE-CE 3.42Å; M1499-M1538 VanDerWaalsContact CE-CE 3.42Å; M1499-M1538 HydrophobicContact SD-CE 3.79Å; F1501-M1538 HydrophobicContact CE1-CE 3.98Å; F1501-M1538 HydrophobicContact CE1-SD 4.29Å; F1501-M1538 HydrophobicContact CZ-CE 3.76Å; F1501-M1538 HydrophobicContact CZ-SD 4.01Å; F1531-M1538 HydrophobicContact CB-CB 4.32Å; F1531-M1538 PolarHBondContact N-O 2.93Å; F1531-M1538 PolarHBondContact O-N 3.33Å; F1536-M1538 HydrophobicContact CD2-CB 3.98Å; F1536-M1538 HydrophobicContact CE2-CB 3.84Å; F1536-M1538 HydrophobicContact CE2-CE 3.86Å; F1536-M1538 HydrophobicContact CZ-CE 4.25Å; M1538-T1540 HydrophobicContact CG-CG2 4.13Å; M1538-T1540 HydrophobicContact SD-CG2 4.18Å; M1538-L1564 HydrophobicContact CE-CD1 4.13Å; M1538-L1564 HydrophobicContact CG-CD1 3.54Å; M1538-L1564 HydrophobicContact SD-CD1 3.86Å; M1538-P1568 HydrophobicContact CB-CB 4.24Å; M1538-P1568 HydrophobicContact CB-CG 4.31Å; M1538-P1568 HydrophobicContact CE-CG 3.76Å; M1538-P1568 HydrophobicContact CG-CG 4.21Å |
| 1539 | L | 95 | Very high | 90.2 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.8 | 172.7 | -62.8 | 174.8 | 0 | 0 | 0 | 108 | L1519 L1528 L1537 Y1565 V1600 L1602 | L1519-L1539 HydrophobicContact CD1-CD2 4.21Å; L1528-L1539 HydrophobicContact CD1-CB 4.47Å; L1528-L1539 HydrophobicContact CD1-CD1 4.22Å; L1537-L1539 HydrophobicContact CD2-CD2 4.37Å; L1537-L1539 HydrophobicContact CG-CD2 4.4Å; L1539-Y1565 VanDerWaalsContact O-CB 3.31Å; L1539-Y1565 WeakPolarHBondContact O-CB 3.41Å; L1539-Y1565 PolarHBondContact O-N 3.47Å; L1539-V1600 HydrophobicContact CD1-CG1 4.1Å; L1539-L1602 HydrophobicContact CD1-CD1 4.47Å; L1539-L1602 HydrophobicContact CD1-CD2 4.29Å; L1539-L1602 HydrophobicContact CD2-CD1 4.5Å |
| 1540 | T | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 169.4 | 177.5 | 67 | 0 | 0 | 0 | 0 | 110.5 | I1490 L1528 V1529 F1531 M1538 F1562 S1563 | I1490-T1540 HydrophobicContact CG2-CG2 3.89Å; L1528-T1540 CarbonylContact C-O 3.4Å; L1528-T1540 WeakPolarHBondContact CA-O 3.44Å; L1528-T1540 WeakPolarHBondContact CB-O 3.07Å; V1529-T1540 PolarHBondContact N-O 3.32Å; V1529-T1540 PolarHBondContact O-N 3.43Å; V1529-T1540 PolarHBondContact O-OG1 3.4Å; F1531-T1540 HydrophobicContact CD2-CG2 4.06Å; F1531-T1540 HydrophobicContact CE2-CG2 4.18Å; F1531-T1540 WeakPolarHBondContact CE2-OG1 3.3Å; M1538-T1540 HydrophobicContact CG-CG2 4.13Å; M1538-T1540 HydrophobicContact SD-CG2 4.18Å; T1540-F1562 HydrophobicContact CG2-CB 4.18Å; T1540-S1563 CarbonylContact C-O 3.47Å; T1540-S1563 VanDerWaalsContact CA-O 3.22Å; T1540-S1563 WeakPolarHBondContact CA-O 3.42Å; T1540-S1563 VanDerWaalsContact CB-O 3.28Å; T1540-S1563 WeakPolarHBondContact CB-O 3.35Å |
| 1541 | T | 93.3 | Very high | 87.8 | Confident | 19 Ų | 19 | 34.1 Ų | 34.1 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.1 | 160.4 | 47.6 | 0 | 0 | 0 | 0 | 108 | L1528 F1562 S1563 Y1565 | L1528-T1541 HydrophobicContact CD2-CG2 3.54Å; T1541-F1562 CarbonylContact O-C 3.54Å; T1541-F1562 WeakPolarHBondContact O-CA 3.16Å; T1541-S1563 PolarHBondContact N-O 2.86Å; T1541-S1563 PolarHBondContact O-N 3.13Å; T1541-Y1565 HydrophobicContact CG2-CD2 4.05Å |
| 1542 | P | 92.4 | Very high | 86.9 | Confident | 24 Ų | 24 | 35.9 Ų | 35.9 | 16% | 0.156 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 145.4 | 172.1 | 34 | -36.5 | 0 | 0 | 0 | 108.8 | L1527 E1544 I1546 F1562 | L1527-P1542 HydrophobicContact CD2-CG 3.85Å; P1542-E1544 VanDerWaalsContact CB-O 3.24Å; P1542-E1544 WeakPolarHBondContact CB-O 3.33Å; P1542-E1544 WeakPolarHBondContact CG-O 3.49Å; P1542-I1546 HydrophobicContact CB-CD1 3.99Å; P1542-I1546 HydrophobicContact CB-CG1 4.03Å; P1542-I1546 HydrophobicContact CG-CD1 3.91Å; P1542-I1546 HydrophobicContact CG-CG1 4Å; P1542-F1562 HydrophobicContact CB-CD1 3.9Å; P1542-F1562 HydrophobicContact CB-CE1 3.69Å |
| 1543 | D | 87.9 | Confident | 85.9 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -77.4 | -29.3 | 179 | -70.1 | 9 | 0 | 0 | 0 | 110.7 | R1491 I1561 S1563 | R1491-D1543 WeakPolarHBondContact CD-OD2 3.1Å; R1491-D1543 IonicContact CZ-OD2 3.7Å; R1491-D1543 IonicContact NE-OD2 2.78Å; R1491-D1543 IonicContact NH1-OD2 3.23Å; R1491-D1543 PolarHBondContact NH1-OD2 2.78Å; D1543-I1561 HydrophobicContact CB-CB 4.5Å; D1543-I1561 PolarHBondContact N-O 3.43Å; D1543-I1561 WeakPolarHBondContact OD2-CG2 3.25Å; D1543-S1563 WeakPolarHBondContact OD1-CB 3.31Å; D1543-S1563 PolarHBondContact OD1-N 3.18Å; D1543-S1563 PolarHBondContact OD1-OG 3.35Å; D1543-S1563 PolarHBondContact OD2-OG 3.23Å |
| 1544 | E | 84.1 | Confident | 85 | Confident | 126 Ų | 126 | 42.4 Ų | 42.4 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -103.5 | 150.8 | 168.8 | -64.5 | -168.4 | 140.1 | 0 | 0 | 112.1 | P1542 I1546 | P1542-E1544 VanDerWaalsContact CB-O 3.24Å; P1542-E1544 WeakPolarHBondContact CB-O 3.33Å; P1542-E1544 WeakPolarHBondContact CG-O 3.49Å; E1544-I1546 PolarHBondContact O-N 3.14Å |
| 1545 | P | 81.2 | Confident | 83.9 | Confident | 128 Ų | 128 | 48.4 Ų | 48.4 | 83% | 0.831 | 27% | 0.271 | S | S | * | . | trans | -71.1 | 117.2 | 176.7 | 29 | -33.8 | 0 | 0 | 0 | 112 | A1547 | P1545-A1547 PolarHBondContact O-N 2.88Š| ||
| 1546 | I | 84.1 | Confident | 82.7 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | trans | -66.5 | 114.3 | 174.4 | -62.8 | 172.7 | 0 | 0 | 0 | 109.8 | I1518 L1527 V1529 P1542 E1544 F1552 F1562 | I1518-I1546 HydrophobicContact CD1-CD1 3.86Å; L1527-I1546 HydrophobicContact CD2-CD1 4.36Å; V1529-I1546 HydrophobicContact CG2-CD1 4.01Å; P1542-I1546 HydrophobicContact CB-CD1 3.99Å; P1542-I1546 HydrophobicContact CB-CG1 4.03Å; P1542-I1546 HydrophobicContact CG-CD1 3.91Å; P1542-I1546 HydrophobicContact CG-CG1 4Å; E1544-I1546 PolarHBondContact O-N 3.14Å; I1546-F1552 HydrophobicContact CD1-CD1 3.96Å; I1546-F1552 HydrophobicContact CD1-CD2 4.04Å; I1546-F1552 HydrophobicContact CD1-CE1 4.04Å; I1546-F1552 HydrophobicContact CD1-CE2 4.11Å; I1546-F1552 HydrophobicContact CD1-CG 3.98Å; I1546-F1552 HydrophobicContact CD1-CZ 4.14Å; I1546-F1552 HydrophobicContact CG1-CD2 4.25Å; I1546-F1552 HydrophobicContact CG1-CE2 4.43Å; I1546-F1552 HydrophobicContact CG2-CB 3.64Å; I1546-F1552 HydrophobicContact CG2-CD2 3.74Å; I1546-F1552 HydrophobicContact CG2-CG 3.71Å; I1546-F1562 HydrophobicContact CD1-CE1 4.4Å | ||
| 1547 | A | 75.9 | Confident | 81.2 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -63 | -49.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | P1545 | P1545-A1547 PolarHBondContact O-N 2.88Š|
| 1548 | D | 80.2 | Confident | 79.9 | Confident | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | trans | -119.8 | 102.3 | 168.8 | 170.4 | 30.6 | 0 | 0 | 0 | 110.7 | R708 S1550 T1551 F1552 | R708-D1548 WeakPolarHBondContact CD-OD2 3.49Å; R708-D1548 IonicContact CZ-OD1 3.18Å; R708-D1548 IonicContact NE-OD1 3.68Å; R708-D1548 IonicContact NE-OD2 3.82Å; R708-D1548 PolarHBondContact NE-OD2 3.1Å; R708-D1548 IonicContact NH2-OD1 2.63Å; D1548-S1550 VanDerWaalsContact CG-OG 3.3Å; D1548-S1550 PolarHBondContact O-N 2.87Å; D1548-S1550 WeakPolarHBondContact OD1-CB 3.48Å; D1548-S1550 PolarHBondContact OD1-N 2.72Å; D1548-S1550 PolarHBondContact OD1-OG 3.46Å; D1548-S1550 PolarHBondContact OD2-OG 2.64Å; D1548-T1551 VanDerWaalsContact OD2-CB 3.23Å; D1548-T1551 WeakPolarHBondContact OD2-CB 3.45Å; D1548-T1551 VanDerWaalsContact OD2-CG2 3.28Å; D1548-T1551 WeakPolarHBondContact OD2-CG2 3.44Å; D1548-T1551 PolarHBondContact OD2-N 3.47Å; D1548-T1551 PolarHBondContact OD2-OG1 3.33Å; D1548-F1552 WeakPolarHBondContact O-CB 3.26Å; D1548-F1552 PolarHBondContact O-N 2.99Å | ||
| 1549 | P | 81.8 | Confident | 79.1 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -3.1 | 176.1 | -24.8 | 36 | 0 | 0 | 0 | 116 | I1518 Y1520 L1527 I1605 | I1518-P1549 HydrophobicContact CG1-CB 4.07Å; I1518-P1549 WeakPolarHBondContact CG1-O 3.25Å; I1518-P1549 HydrophobicContact CG2-CB 4.14Å; Y1520-P1549 WeakPolarHBondContact OH-CB 3.01Å; L1527-P1549 HydrophobicContact CD1-CB 3.85Å; L1527-P1549 HydrophobicContact CD1-CG 3.61Å; P1549-I1605 HydrophobicContact CB-CD1 4.18Å; P1549-I1605 VanDerWaalsContact O-CD1 3.29Å; P1549-I1605 WeakPolarHBondContact O-CD1 3.4Å |
| 1550 | S | 71.7 | Confident | 78.5 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -33 | -173.6 | 75.8 | 0 | 0 | 0 | 0 | 115.5 | R708 D1548 | R708-S1550 VanDerWaalsContact CD-OG 3.23Å; R708-S1550 WeakPolarHBondContact CD-OG 3.46Å; R708-S1550 PolarHBondContact NE-OG 3.15Å; R708-S1550 PolarHBondContact NH1-OG 2.99Å; D1548-S1550 VanDerWaalsContact CG-OG 3.3Å; D1548-S1550 PolarHBondContact O-N 2.87Å; D1548-S1550 WeakPolarHBondContact OD1-CB 3.48Å; D1548-S1550 PolarHBondContact OD1-N 2.72Å; D1548-S1550 PolarHBondContact OD1-OG 3.46Å; D1548-S1550 PolarHBondContact OD2-OG 2.64Å |
| 1551 | T | 68.1 | Low | 78.2 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -24.5 | 160.9 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | R708 D1548 K1553 | R708-T1551 HydrophobicContact CG-CG2 4.19Å; D1548-T1551 VanDerWaalsContact OD2-CB 3.23Å; D1548-T1551 WeakPolarHBondContact OD2-CB 3.45Å; D1548-T1551 VanDerWaalsContact OD2-CG2 3.28Å; D1548-T1551 WeakPolarHBondContact OD2-CG2 3.44Å; D1548-T1551 PolarHBondContact OD2-N 3.47Å; D1548-T1551 PolarHBondContact OD2-OG1 3.33Å; T1551-K1553 PolarHBondContact O-N 3.09Å |
| 1552 | F | 77.5 | Confident | 78.2 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -53.9 | 123.2 | -177.8 | -177.8 | -90.5 | 0 | 0 | 0 | 112.5 | I1518 I1546 D1548 V1554 F1562 | I1518-F1552 HydrophobicContact CD1-CD1 3.68Å; I1518-F1552 HydrophobicContact CD1-CE1 4.29Å; I1518-F1552 HydrophobicContact CD1-CG 4.45Å; I1518-F1552 HydrophobicContact CG1-CD1 4.21Å; I1546-F1552 HydrophobicContact CD1-CD1 3.96Å; I1546-F1552 HydrophobicContact CD1-CD2 4.04Å; I1546-F1552 HydrophobicContact CD1-CE1 4.04Å; I1546-F1552 HydrophobicContact CD1-CE2 4.11Å; I1546-F1552 HydrophobicContact CD1-CG 3.98Å; I1546-F1552 HydrophobicContact CD1-CZ 4.14Å; I1546-F1552 HydrophobicContact CG1-CD2 4.25Å; I1546-F1552 HydrophobicContact CG1-CE2 4.43Å; I1546-F1552 HydrophobicContact CG2-CB 3.64Å; I1546-F1552 HydrophobicContact CG2-CD2 3.74Å; I1546-F1552 HydrophobicContact CG2-CG 3.71Å; D1548-F1552 WeakPolarHBondContact O-CB 3.26Å; D1548-F1552 PolarHBondContact O-N 2.99Å; F1552-V1554 HydrophobicContact CE1-CG2 3.81Å; F1552-V1554 HydrophobicContact CZ-CG2 3.97Å; F1552-F1562 HydrophobicContact CE1-CZ 4.38Å; F1552-F1562 HydrophobicContact CZ-CE1 4.43Å; F1552-F1562 AromaticContact CZ-CZ 3.73Å; F1552-F1562 HydrophobicContact CZ-CZ 3.73Å | ||
| 1553 | K | 74.1 | Confident | 78.2 | Confident | 123 Ų | 123 | 69 Ų | 69 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | trans | -140.5 | 137.6 | 176.2 | -72.3 | 168 | 179.6 | 176.3 | 0 | 108.2 | T1551 Y1555 | T1551-K1553 PolarHBondContact O-N 3.09Å; K1553-Y1555 HydrophobicContact CB-CD2 4.33Å; K1553-Y1555 HydrophobicContact CB-CE1 4.33Å; K1553-Y1555 HydrophobicContact CB-CE2 3.75Å; K1553-Y1555 HydrophobicContact CD-CE2 4.47Å; K1553-Y1555 WeakPolarHBondContact CD-OH 3.41Å | ||
| 1554 | V | 77.8 | Confident | 78.5 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 9% | 0.085 | 38% | 0.377 | C | S | . | . | trans | -76.4 | 126.3 | 171 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | W1485 V1529 F1531 F1552 | W1485-V1554 HydrophobicContact CD2-CG1 4.39Å; W1485-V1554 HydrophobicContact CE3-CG1 4Å; W1485-V1554 HydrophobicContact CH2-CG1 3.48Å; W1485-V1554 VanDerWaalsContact CH2-CG1 3.48Å; W1485-V1554 HydrophobicContact CZ2-CG1 3.87Å; W1485-V1554 HydrophobicContact CZ3-CG1 3.55Å; V1529-V1554 HydrophobicContact CG1-CG2 4.48Å; F1531-V1554 HydrophobicContact CE1-CG1 4.21Å; F1531-V1554 HydrophobicContact CE1-CG2 3.97Å; F1531-V1554 HydrophobicContact CZ-CG2 3.9Å; F1552-V1554 HydrophobicContact CE1-CG2 3.81Å; F1552-V1554 HydrophobicContact CZ-CG2 3.97Å | ||
| 1555 | Y | 69 | Low | 78.8 | Confident | 128 Ų | 128 | 63.8 Ų | 63.8 | 50% | 0.502 | 36% | 0.359 | S | S | . | . | trans | -126.3 | 166.2 | 172.4 | -60.2 | -69.7 | 0 | 0 | 0 | 109.5 | K1553 N1557 C1558 | K1553-Y1555 HydrophobicContact CB-CD2 4.33Å; K1553-Y1555 HydrophobicContact CB-CE1 4.33Å; K1553-Y1555 HydrophobicContact CB-CE2 3.75Å; K1553-Y1555 HydrophobicContact CD-CE2 4.47Å; K1553-Y1555 WeakPolarHBondContact CD-OH 3.41Å; Y1555-N1557 VanDerWaalsContact CB-OD1 3.31Å; Y1555-N1557 WeakPolarHBondContact CB-OD1 3.41Å; Y1555-N1557 PolarHBondContact O-N 3.44Å; Y1555-N1557 VanDerWaalsContact O-N 3.1Å; Y1555-C1558 VanDerWaalsContact O-CB 3.22Å; Y1555-C1558 WeakPolarHBondContact O-CB 3.49Å; Y1555-C1558 PolarHBondContact O-N 3.26Å | ||
| 1556 | A | 64.4 | Low | 79.1 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | M1482 | M1482-A1556 HydrophobicContact CE-CB 4.2Š|
| 1557 | N | 61.6 | Low | 79.3 | Confident | 133 Ų | 133 | 66.5 Ų | 66.5 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 15.4 | 176.1 | 65.4 | -26.1 | 0 | 0 | 0 | 113.4 | Y1555 E1559 | Y1555-N1557 VanDerWaalsContact CB-OD1 3.31Å; Y1555-N1557 WeakPolarHBondContact CB-OD1 3.41Å; Y1555-N1557 PolarHBondContact O-N 3.44Å; Y1555-N1557 VanDerWaalsContact O-N 3.1Å; N1557-E1559 PolarHBondContact O-N 2.84Å |
| 1558 | C | 68.5 | Low | 80 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 11% | 0.108 | 32% | 0.316 | C | S | . | . | trans | -74.5 | 117.6 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | W1485 H1489 Y1555 | W1485-C1558 HydrophobicContact CZ2-CB 3.9Å; W1485-C1558 WeakPolarHBondContact CZ2-O 3.31Å; W1485-C1558 PolarHBondContact NE1-O 3.39Å; H1489-C1558 PolarHBondContact NE2-O 2.8Å; Y1555-C1558 VanDerWaalsContact O-CB 3.22Å; Y1555-C1558 WeakPolarHBondContact O-CB 3.49Å; Y1555-C1558 PolarHBondContact O-N 3.26Å | ||
| 1559 | E | 77.1 | Confident | 80.5 | Confident | 175 Ų | 175 | 61 Ų | 61 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | trans | -83.3 | -12.1 | -177.2 | -60 | -176.7 | 153.2 | 0 | 0 | 113.3 | N1557 | N1557-E1559 PolarHBondContact O-N 2.84Š| ||
| 1560 | S | 82.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 61 Ų | 61 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | trans | -60.6 | 135.3 | -178.3 | -51.2 | 0 | 0 | 0 | 0 | 113.3 | F1562 | S1560-F1562 WeakPolarHBondContact O-CD2 3.36Å; S1560-F1562 WeakPolarHBondContact O-CE2 3.4Å | ||
| 1561 | I | 90 | Very high | 81.8 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | trans | -96.8 | 145.8 | 177.7 | -57.1 | 176.8 | 0 | 0 | 0 | 110.6 | H1489 R1491 D1543 | H1489-I1561 WeakPolarHBondContact O-CA 3.36Å; R1491-I1561 HydrophobicContact CG-CG2 3.95Å; D1543-I1561 HydrophobicContact CB-CB 4.5Å; D1543-I1561 PolarHBondContact N-O 3.43Å; D1543-I1561 WeakPolarHBondContact OD2-CG2 3.25Å | ||
| 1562 | F | 93.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 118.8 | -174.8 | -63.2 | -86.7 | 0 | 0 | 0 | 112.6 | W1485 H1489 I1490 R1491 V1529 F1531 T1540 T1541 P1542 I1546 F1552 S1560 | W1485-F1562 AromaticContact CH2-CD2 3.94Å; W1485-F1562 HydrophobicContact CH2-CD2 3.94Å; W1485-F1562 AromaticContact CH2-CE2 3.77Å; W1485-F1562 HydrophobicContact CH2-CE2 3.77Å; W1485-F1562 HydrophobicContact CZ2-CE2 4.34Å; H1489-F1562 PolarHBondContact O-N 3.11Å; I1490-F1562 CarbonylContact C-O 3.57Å; I1490-F1562 VanDerWaalsContact CA-O 3.31Å; I1490-F1562 WeakPolarHBondContact CA-O 3.23Å; I1490-F1562 HydrophobicContact CG1-CB 4.45Å; R1491-F1562 PolarHBondContact N-O 2.75Å; V1529-F1562 HydrophobicContact CB-CD1 4.16Å; V1529-F1562 HydrophobicContact CB-CE1 4.06Å; V1529-F1562 HydrophobicContact CG1-CE1 4.39Å; V1529-F1562 HydrophobicContact CG2-CD1 3.97Å; V1529-F1562 HydrophobicContact CG2-CE1 3.54Å; F1531-F1562 HydrophobicContact CE2-CD1 4.35Å; F1531-F1562 HydrophobicContact CE2-CG 4.3Å; F1531-F1562 HydrophobicContact CZ-CD2 4.2Å; F1531-F1562 HydrophobicContact CZ-CE2 4.42Å; F1531-F1562 HydrophobicContact CZ-CG 4.28Å; T1540-F1562 HydrophobicContact CG2-CB 4.18Å; T1541-F1562 CarbonylContact O-C 3.54Å; T1541-F1562 WeakPolarHBondContact O-CA 3.16Å; P1542-F1562 HydrophobicContact CB-CD1 3.9Å; P1542-F1562 HydrophobicContact CB-CE1 3.69Å; I1546-F1562 HydrophobicContact CD1-CE1 4.4Å; F1552-F1562 HydrophobicContact CE1-CZ 4.38Å; F1552-F1562 HydrophobicContact CZ-CE1 4.43Å; F1552-F1562 AromaticContact CZ-CZ 3.73Å; F1552-F1562 HydrophobicContact CZ-CZ 3.73Å; S1560-F1562 WeakPolarHBondContact O-CD2 3.36Å; S1560-F1562 WeakPolarHBondContact O-CE2 3.4Å |
| 1563 | S | 92.7 | Very high | 83 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138.7 | 172.6 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | T1540 T1541 D1543 Y1565 | T1540-S1563 CarbonylContact C-O 3.47Å; T1540-S1563 VanDerWaalsContact CA-O 3.22Å; T1540-S1563 WeakPolarHBondContact CA-O 3.42Å; T1540-S1563 VanDerWaalsContact CB-O 3.28Å; T1540-S1563 WeakPolarHBondContact CB-O 3.35Å; T1541-S1563 PolarHBondContact N-O 2.86Å; T1541-S1563 PolarHBondContact O-N 3.13Å; D1543-S1563 WeakPolarHBondContact OD1-CB 3.31Å; D1543-S1563 PolarHBondContact OD1-N 3.18Å; D1543-S1563 PolarHBondContact OD1-OG 3.35Å; D1543-S1563 PolarHBondContact OD2-OG 3.23Å; S1563-Y1565 PolarHBondContact O-N 2.99Å |
| 1564 | L | 93.2 | Very high | 83.7 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 122.2 | 179.1 | -174 | 69.2 | 0 | 0 | 0 | 112.5 | R1491 C1492 L1495 M1538 K1566 P1568 | R1491-L1564 PolarHBondContact O-N 2.76Å; C1492-L1564 HydrophobicContact CB-CB 4.41Å; C1492-L1564 HydrophobicContact CB-CD2 4.33Å; L1495-L1564 HydrophobicContact CD1-CD2 3.81Å; L1495-L1564 HydrophobicContact CD2-CD2 4.04Å; L1495-L1564 HydrophobicContact CG-CD2 3.64Å; M1538-L1564 HydrophobicContact CE-CD1 4.13Å; M1538-L1564 HydrophobicContact CG-CD1 3.54Å; M1538-L1564 HydrophobicContact SD-CD1 3.86Å; L1564-K1566 VanDerWaalsContact CD1-O 3.23Å; L1564-K1566 WeakPolarHBondContact CD1-O 3.05Å; L1564-K1566 WeakPolarHBondContact CG-O 3.35Å; L1564-P1568 HydrophobicContact CD1-CG 4.3Å |
| 1565 | Y | 90.3 | Very high | 84.2 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | trans | -78 | -36.7 | -179.4 | 179.4 | -117.4 | 0 | 0 | 0 | 112.8 | K1521 L1528 L1539 T1541 S1563 | K1521-Y1565 WeakPolarHBondContact CD-OH 3.37Å; K1521-Y1565 PolarHBondContact NZ-OH 3.5Å; L1528-Y1565 HydrophobicContact CD1-CD1 3.88Å; L1528-Y1565 HydrophobicContact CD1-CE1 4.05Å; L1528-Y1565 HydrophobicContact CD2-CD1 3.69Å; L1528-Y1565 HydrophobicContact CD2-CD2 3.79Å; L1528-Y1565 HydrophobicContact CD2-CE1 4.07Å; L1528-Y1565 HydrophobicContact CD2-CE2 4.17Å; L1528-Y1565 HydrophobicContact CD2-CG 3.56Å; L1528-Y1565 HydrophobicContact CG-CD1 4.48Å; L1539-Y1565 VanDerWaalsContact O-CB 3.31Å; L1539-Y1565 WeakPolarHBondContact O-CB 3.41Å; L1539-Y1565 PolarHBondContact O-N 3.47Å; T1541-Y1565 HydrophobicContact CG2-CD2 4.05Å; S1563-Y1565 PolarHBondContact O-N 2.99Å | ||
| 1566 | K | 87.9 | Confident | 85.2 | Confident | 126 Ų | 126 | 50.1 Ų | 50.1 | 55% | 0.548 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -158.2 | 163.1 | 178.9 | -76.5 | -160.5 | 170.9 | -160.6 | 0 | 110.7 | L1564 | L1564-K1566 VanDerWaalsContact CD1-O 3.23Å; L1564-K1566 WeakPolarHBondContact CD1-O 3.05Å; L1564-K1566 WeakPolarHBondContact CG-O 3.35Å |
| 1567 | K | 87.2 | Confident | 86.2 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -43.5 | 127.9 | 163.7 | -174.9 | -174 | 176.4 | -165.8 | 0 | 110.1 | L1495 E1597 F1714 | L1495-K1567 HydrophobicContact CD2-CG 4.35Å; K1567-E1597 IonicContact NZ-OE1 2.68Å; K1567-E1597 IonicContact NZ-OE2 3.34Å; K1567-F1714 HydrophobicContact CD-CE2 4.46Å; K1567-F1714 HydrophobicContact CD-CZ 4.43Å; K1567-F1714 HydrophobicContact CG-CE2 3.94Å; K1567-F1714 HydrophobicContact CG-CZ 3.81Å |
| 1568 | P | 91.1 | Very high | 86.8 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | trans | -64 | 154 | -176.8 | -21.4 | 32.2 | 0 | 0 | 0 | 113.3 | L1495 M1499 F1536 M1538 L1564 F1714 | L1495-P1568 HydrophobicContact CD1-CG 4.19Å; M1499-P1568 HydrophobicContact CE-CG 3.95Å; F1536-P1568 HydrophobicContact CB-CB 4.12Å; F1536-P1568 HydrophobicContact CD2-CB 3.68Å; F1536-P1568 HydrophobicContact CD2-CG 4.38Å; F1536-P1568 HydrophobicContact CE2-CB 4.35Å; F1536-P1568 HydrophobicContact CG-CB 3.97Å; M1538-P1568 HydrophobicContact CB-CB 4.24Å; M1538-P1568 HydrophobicContact CB-CG 4.31Å; M1538-P1568 HydrophobicContact CE-CG 3.76Å; M1538-P1568 HydrophobicContact CG-CG 4.21Å; L1564-P1568 HydrophobicContact CD1-CG 4.3Å; P1568-F1714 HydrophobicContact CB-CD1 4.09Å; P1568-F1714 HydrophobicContact CB-CE1 3.65Å; P1568-F1714 HydrophobicContact CB-CZ 4.32Å; P1568-F1714 HydrophobicContact CG-CD1 4.24Å; P1568-F1714 HydrophobicContact CG-CE1 4.05Å; P1568-F1714 HydrophobicContact CG-CZ 4.49Å; P1568-F1714 WeakPolarHBondContact O-CE1 3.46Å; P1568-F1714 WeakPolarHBondContact O-CZ 3.37Å | ||
| 1569 | L | 90.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.2 | -177 | -59.8 | 175 | 0 | 0 | 0 | 110.5 | F1536 L1537 L1571 L1593 T1595 V1600 | F1536-L1569 CarbonylContact C-O 3.58Å; F1536-L1569 WeakPolarHBondContact CA-O 3.37Å; F1536-L1569 VanDerWaalsContact CB-O 3.32Å; F1536-L1569 WeakPolarHBondContact CB-O 3.35Å; L1537-L1569 HydrophobicContact CB-CB 4.46Å; L1537-L1569 PolarHBondContact N-O 3.2Å; L1537-L1569 PolarHBondContact O-N 2.88Å; L1569-L1571 PolarHBondContact O-N 3.19Å; L1569-L1593 HydrophobicContact CD1-CB 4.3Å; L1569-L1593 HydrophobicContact CD1-CD2 4.31Å; L1569-T1595 HydrophobicContact CD2-CG2 4.14Å; L1569-V1600 HydrophobicContact CD1-CG2 4.07Å; L1569-V1600 HydrophobicContact CD2-CG2 4.46Å |
| 1570 | M | 89.5 | Confident | 85.2 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 15% | 0.148 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 122.3 | 174.4 | -85.4 | -73.5 | 134.2 | 0 | 0 | 111.8 | F1536 S1572 H1573 A1574 Q1713 F1714 | F1536-M1570 HydrophobicContact CB-CE 4.12Å; F1536-M1570 HydrophobicContact CD1-CE 4.06Å; M1570-S1572 VanDerWaalsContact C-N 3.31Å; M1570-S1572 PolarHBondContact O-N 3.45Å; M1570-H1573 PolarHBondContact O-N 3.04Å; M1570-A1574 WeakPolarHBondContact O-CB 3.49Å; M1570-A1574 PolarHBondContact O-N 3.49Å; M1570-A1574 VanDerWaalsContact O-N 3.14Å; M1570-Q1713 HydrophobicContact CE-CB 4.43Å; M1570-Q1713 WeakPolarHBondContact CE-O 3.29Å; M1570-F1714 HydrophobicContact CE-CD1 3.26Å; M1570-F1714 HydrophobicContact CE-CE1 3.44Å; M1570-F1714 VanDerWaalsContact CE-CE1 3.44Å; M1570-F1714 HydrophobicContact CE-CG 4.09Å; M1570-F1714 HydrophobicContact CE-CZ 4.4Å; M1570-F1714 HydrophobicContact CG-CE1 4.26Å |
| 1571 | L | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.2 | -176.5 | -61.9 | -174.5 | 0 | 0 | 0 | 113.4 | L1532 F1533 D1535 L1537 L1569 H1573 A1574 L1617 A1620 I1621 A1624 | L1532-L1571 HydrophobicContact CD1-CD1 3.82Å; L1532-L1571 HydrophobicContact CD1-CD2 4.18Å; F1533-L1571 WeakPolarHBondContact O-CD1 3.22Å; D1535-L1571 PolarHBondContact O-N 3.14Å; L1537-L1571 HydrophobicContact CB-CD2 4.23Å; L1569-L1571 PolarHBondContact O-N 3.19Å; L1571-H1573 VanDerWaalsContact C-N 3.25Å; L1571-H1573 PolarHBondContact O-N 3.39Å; L1571-A1574 PolarHBondContact O-N 2.65Å; L1571-L1617 HydrophobicContact CD2-CD2 4.39Å; L1571-A1620 HydrophobicContact CD1-CB 3.47Å; L1571-A1620 VanDerWaalsContact CD1-CB 3.47Å; L1571-I1621 HydrophobicContact CB-CG1 4.06Å; L1571-I1621 HydrophobicContact CD2-CG1 4Å; L1571-I1621 HydrophobicContact CG-CG1 4.46Å; L1571-A1624 HydrophobicContact CB-CB 3.9Å |
| 1572 | S | 85.6 | Confident | 81.4 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.2 | 174.2 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | M1570 | M1570-S1572 VanDerWaalsContact C-N 3.31Å; M1570-S1572 PolarHBondContact O-N 3.45Å |
| 1573 | H | 85.9 | Confident | 78.9 | Confident | 96 Ų | 96 | 57.1 Ų | 57.1 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -107.8 | 4.7 | -176.6 | -46.2 | 161.1 | 0 | 0 | 0 | 112.4 | M1570 L1571 | M1570-H1573 PolarHBondContact O-N 3.04Å; L1571-H1573 VanDerWaalsContact C-N 3.25Å; L1571-H1573 PolarHBondContact O-N 3.39Å |
| 1574 | A | 88.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -80.3 | 142 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | M1570 L1571 S1594 T1595 I1621 R1625 | M1570-A1574 WeakPolarHBondContact O-CB 3.49Å; M1570-A1574 PolarHBondContact O-N 3.49Å; M1570-A1574 VanDerWaalsContact O-N 3.14Å; L1571-A1574 PolarHBondContact O-N 2.65Å; A1574-S1594 CarbonylContact C-O 3.55Å; A1574-S1594 WeakPolarHBondContact CA-O 3.29Å; A1574-T1595 HydrophobicContact CB-CG2 4.47Å; A1574-I1621 HydrophobicContact CB-CD1 4Å; A1574-I1621 HydrophobicContact CB-CG1 4.24Å; A1574-R1625 PolarHBondContact O-NH2 3.39Å | ||
| 1575 | T | 88.7 | Confident | 74.7 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126 | 167.8 | 37.5 | 0 | 0 | 0 | 0 | 107.8 | L1593 S1594 R1625 | T1575-L1593 WeakPolarHBondContact O-CA 3.31Å; T1575-S1594 PolarHBondContact N-O 3.35Å; T1575-S1594 PolarHBondContact O-N 3.34Å; T1575-S1594 WeakPolarHBondContact OG1-CB 3.27Å; T1575-S1594 PolarHBondContact OG1-O 3.12Å; T1575-S1594 PolarHBondContact OG1-OG 3.16Å; T1575-R1625 VanDerWaalsContact CG2-NH2 3.34Å |
| 1576 | L | 89.8 | Confident | 72.9 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.2 | 177 | -177 | 64.6 | 0 | 0 | 0 | 109.4 | V1578 F1591 L1593 K1614 L1617 D1618 I1621 | L1576-V1578 HydrophobicContact CD2-CG2 4.46Å; L1576-V1578 HydrophobicContact CG-CG2 4.28Å; L1576-F1591 HydrophobicContact CD1-CD2 3.87Å; L1576-L1593 HydrophobicContact CD1-CD1 3.81Å; L1576-L1593 HydrophobicContact CD1-CG 4.05Å; L1576-K1614 HydrophobicContact CD2-CB 4.33Å; L1576-K1614 HydrophobicContact CD2-CG 3.85Å; L1576-L1617 HydrophobicContact CD1-CD1 4.14Å; L1576-L1617 HydrophobicContact CD2-CB 4.05Å; L1576-D1618 WeakPolarHBondContact CD2-OD1 3.49Å; L1576-I1621 HydrophobicContact CB-CD1 4.21Å |
| 1577 | N | 84.2 | Confident | 71.5 | Confident | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.6 | 174.4 | -57.8 | -38.2 | 0 | 0 | 0 | 108.6 | S1592 S1594 | N1577-S1592 PolarHBondContact N-O 3.46Å; N1577-S1592 PolarHBondContact O-N 3.35Å; N1577-S1594 PolarHBondContact ND2-OG 3.15Å |
| 1578 | V | 74.1 | Confident | 70.5 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 24% | 0.242 | 38% | 0.38 | C | S | . | . | trans | -106.6 | 126.8 | 166 | -171.9 | 0 | 0 | 0 | 0 | 105.9 | L1576 N1580 F1591 K1614 | L1576-V1578 HydrophobicContact CD2-CG2 4.46Å; L1576-V1578 HydrophobicContact CG-CG2 4.28Å; V1578-N1580 PolarHBondContact O-N 3.42Å; V1578-F1591 HydrophobicContact CG2-CB 4.49Å; V1578-K1614 HydrophobicContact CG2-CD 4.08Å; V1578-K1614 HydrophobicContact CG2-CG 4.3Å | ||
| 1579 | A | 60.1 | Low | 70 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | trans | -63.6 | 131.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | D1581 | A1579-D1581 PolarHBondContact O-N 3.43Š| ||
| 1580 | N | 53.6 | Low | 69.8 | Low | 150 Ų | 150 | 63.4 Ų | 63.4 | 80% | 0.802 | 39% | 0.394 | S | S | * | . | trans | -59.4 | 137.4 | 167.7 | -69.9 | -10.9 | 0 | 0 | 0 | 107.9 | V1578 A1582 | V1578-N1580 PolarHBondContact O-N 3.42Å; N1580-A1582 PolarHBondContact O-N 3.22Å | ||
| 1581 | D | 49.4 | Very low | 69.9 | Low | 103 Ų | 103 | 62.4 Ų | 62.4 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | trans | -74.2 | 68.2 | -172.7 | -65.8 | -52 | 0 | 0 | 0 | 111.3 | A1579 R1610 | A1579-D1581 PolarHBondContact O-N 3.43Å; D1581-R1610 IonicContact OD1-CZ 2.72Å; D1581-R1610 IonicContact OD1-NH1 3.29Å; D1581-R1610 PolarHBondContact OD1-NH1 3.13Å; D1581-R1610 IonicContact OD1-NH2 2.95Å; D1581-R1610 PolarHBondContact OD1-NH2 3.47Å; D1581-R1610 IonicContact OD2-CZ 3.27Å; D1581-R1610 IonicContact OD2-NH1 3.39Å; D1581-R1610 IonicContact OD2-NH2 2.84Å; D1581-R1610 PolarHBondContact OD2-NH2 3.01Å | ||
| 1582 | A | 41.9 | Very low | 69.8 | Low | 91 Ų | 91 | 63.2 Ų | 63.2 | 75% | 0.752 | 40% | 0.395 | S | S | * | . | trans | -102.4 | 77.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1580 | N1580-A1582 PolarHBondContact O-N 3.22Š| ||
| 1583 | G | 42.1 | Very low | 70 | Confident | 88 Ų | 88 | 62 Ų | 62 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 87.7 | 11.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1584 | D | 46.2 | Very low | 70 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | trans | -135.7 | 106.7 | 174 | -174.7 | -16.9 | 0 | 0 | 0 | 111.5 | S1586 S1587 | D1584-S1586 PolarHBondContact O-N 3.37Å; D1584-S1586 WeakPolarHBondContact OD1-CB 3.33Å; D1584-S1586 PolarHBondContact OD1-N 2.88Å; D1584-S1586 PolarHBondContact OD1-OG 3.02Å; D1584-S1586 PolarHBondContact OD2-OG 3.4Å; D1584-S1587 PolarHBondContact O-N 2.88Å; D1584-S1587 VanDerWaalsContact O-N 3.14Å; D1584-S1587 PolarHBondContact O-OG 2.88Å | ||
| 1585 | D | 51.3 | Low | 69.7 | Low | 147 Ų | 147 | 59.6 Ų | 59.6 | 79% | 0.786 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -56.2 | -24 | -179.7 | -78.7 | -31.5 | 0 | 0 | 0 | 113.6 | S1587 S1588 | D1585-S1587 PolarHBondContact O-N 3.1Å; D1585-S1588 PolarHBondContact O-OG 2.9Å; D1585-S1588 VanDerWaalsContact O-OG 3.1Å |
| 1586 | S | 51.5 | Low | 69 | Low | 71 Ų | 71 | 65.3 Ų | 65.3 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -70.3 | -14.2 | -178.8 | 78.9 | 0 | 0 | 0 | 0 | 113.9 | D1584 Q1590 | D1584-S1586 PolarHBondContact O-N 3.37Å; D1584-S1586 WeakPolarHBondContact OD1-CB 3.33Å; D1584-S1586 PolarHBondContact OD1-N 2.88Å; D1584-S1586 PolarHBondContact OD1-OG 3.02Å; D1584-S1586 PolarHBondContact OD2-OG 3.4Å; S1586-Q1590 PolarHBondContact O-NE2 2.99Å |
| 1587 | S | 58.2 | Low | 68.3 | Low | 29 Ų | 29 | 71.1 Ų | 71.1 | 20% | 0.203 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -91.4 | -15.8 | -178.5 | 72.6 | 0 | 0 | 0 | 0 | 114.9 | D1584 D1585 C1589 Q1590 | D1584-S1587 PolarHBondContact O-N 2.88Å; D1584-S1587 VanDerWaalsContact O-N 3.14Å; D1584-S1587 PolarHBondContact O-OG 2.88Å; D1585-S1587 PolarHBondContact O-N 3.1Å; S1587-C1589 PolarHBondContact O-N 3.42Å; S1587-Q1590 WeakPolarHBondContact O-CB 3.46Å; S1587-Q1590 PolarHBondContact O-N 2.9Å |
| 1588 | S | 67 | Low | 68 | Low | 55 Ų | 55 | 69.6 Ų | 69.6 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -14.4 | -166.8 | 60.7 | 0 | 0 | 0 | 0 | 117.2 | D1585 R1610 | D1585-S1588 PolarHBondContact O-OG 2.9Å; D1585-S1588 VanDerWaalsContact O-OG 3.1Å; S1588-R1610 VanDerWaalsContact O-CD 3.3Å; S1588-R1610 WeakPolarHBondContact O-CD 3.29Å; S1588-R1610 PolarHBondContact O-NE 2.99Å; S1588-R1610 PolarHBondContact O-NH1 3.18Å |
| 1589 | C | 81 | Confident | 68.5 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 14% | 0.142 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 2.1 | 175.8 | -64.3 | 0 | 0 | 0 | 0 | 113.9 | S1587 K1603 A1604 S1606 G1607 | S1587-C1589 PolarHBondContact O-N 3.42Å; C1589-K1603 HydrophobicContact CB-CG 3.93Å; C1589-K1603 CarbonylContact O-C 3.52Å; C1589-K1603 WeakPolarHBondContact O-CA 3.36Å; C1589-A1604 PolarHBondContact O-N 3.27Å; C1589-S1606 VanDerWaalsContact SG-C 3.58Å; C1589-G1607 PolarHBondContact SG-N 2.71Å |
| 1590 | Q | 86.3 | Confident | 69.9 | Low | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 150.3 | -172.9 | -54.1 | -168.3 | 45.3 | 0 | 0 | 113.1 | S1586 S1587 L1602 K1603 R1610 | S1586-Q1590 PolarHBondContact O-NE2 2.99Å; S1587-Q1590 WeakPolarHBondContact O-CB 3.46Å; S1587-Q1590 PolarHBondContact O-N 2.9Å; Q1590-L1602 CarbonylContact C-O 3.55Å; Q1590-L1602 WeakPolarHBondContact CA-O 3.37Å; Q1590-K1603 HydrophobicContact CG-CB 4.21Å; Q1590-K1603 HydrophobicContact CG-CD 4.39Å; Q1590-K1603 HydrophobicContact CG-CG 4.2Å; Q1590-R1610 WeakPolarHBondContact O-CD 3.43Å |
| 1591 | F | 90.3 | Very high | 71.6 | Confident | 9 Ų | 9 | 66 Ų | 66 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.7 | 170.8 | 62.9 | -80.6 | 0 | 0 | 0 | 109.5 | L1519 L1576 V1578 L1593 L1602 A1604 R1610 W1613 L1617 | L1519-F1591 HydrophobicContact CD1-CZ 4.23Å; L1519-F1591 HydrophobicContact CD2-CE1 3.79Å; L1519-F1591 HydrophobicContact CD2-CZ 3.64Å; L1576-F1591 HydrophobicContact CD1-CD2 3.87Å; V1578-F1591 HydrophobicContact CG2-CB 4.49Å; F1591-L1593 HydrophobicContact CD2-CD1 3.74Å; F1591-L1593 HydrophobicContact CE2-CD1 3.66Å; F1591-L1602 HydrophobicContact CD1-CB 4.48Å; F1591-L1602 HydrophobicContact CD2-CB 4.45Å; F1591-L1602 HydrophobicContact CE1-CB 4.06Å; F1591-L1602 HydrophobicContact CE2-CB 4.05Å; F1591-L1602 HydrophobicContact CE2-CD1 3.95Å; F1591-L1602 HydrophobicContact CZ-CB 3.84Å; F1591-L1602 HydrophobicContact CZ-CD1 4.19Å; F1591-L1602 PolarHBondContact N-O 3.33Å; F1591-L1602 PolarHBondContact O-N 2.94Å; F1591-A1604 HydrophobicContact CE1-CB 4.26Å; F1591-R1610 HydrophobicContact CD1-CG 4.45Å; F1591-W1613 HydrophobicContact CE1-CB 4.31Å; F1591-W1613 HydrophobicContact CZ-CB 4.06Å; F1591-W1613 HydrophobicContact CZ-CG 4.23Å; F1591-L1617 HydrophobicContact CD2-CD1 4.47Å; F1591-L1617 HydrophobicContact CE2-CD1 3.88Å |
| 1592 | S | 88.9 | Confident | 73.7 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.8 | 172.8 | 58 | 0 | 0 | 0 | 0 | 112.9 | N1577 V1600 | N1577-S1592 PolarHBondContact N-O 3.46Å; N1577-S1592 PolarHBondContact O-N 3.35Å; S1592-V1600 CarbonylContact C-O 3.59Å; S1592-V1600 WeakPolarHBondContact CA-O 3.47Å; S1592-V1600 WeakPolarHBondContact CB-O 3.4Å |
| 1593 | L | 90.3 | Very high | 76 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.8 | 170 | -73.7 | 78.7 | 0 | 0 | 0 | 108.4 | L1537 L1569 T1575 L1576 F1591 T1599 V1600 L1602 L1617 | L1537-L1593 HydrophobicContact CD2-CD1 4.48Å; L1537-L1593 HydrophobicContact CD2-CD2 3.82Å; L1569-L1593 HydrophobicContact CD1-CB 4.3Å; L1569-L1593 HydrophobicContact CD1-CD2 4.31Å; T1575-L1593 WeakPolarHBondContact O-CA 3.31Å; L1576-L1593 HydrophobicContact CD1-CD1 3.81Å; L1576-L1593 HydrophobicContact CD1-CG 4.05Å; F1591-L1593 HydrophobicContact CD2-CD1 3.74Å; F1591-L1593 HydrophobicContact CE2-CD1 3.66Å; L1593-T1599 CarbonylContact O-C 3.56Å; L1593-T1599 WeakPolarHBondContact O-CA 3.24Å; L1593-V1600 PolarHBondContact N-O 2.79Å; L1593-V1600 PolarHBondContact O-N 3.16Å; L1593-L1602 HydrophobicContact CD1-CD1 4.2Å; L1593-L1617 HydrophobicContact CD1-CD1 4.08Å; L1593-L1617 HydrophobicContact CD2-CD1 4.47Å; L1593-L1617 HydrophobicContact CD2-CD2 4.22Å |
| 1594 | S | 85.6 | Confident | 78.4 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.5 | 169.3 | 34.7 | 0 | 0 | 0 | 0 | 111 | A1574 T1575 N1577 S1598 | A1574-S1594 CarbonylContact C-O 3.55Å; A1574-S1594 WeakPolarHBondContact CA-O 3.29Å; T1575-S1594 PolarHBondContact N-O 3.35Å; T1575-S1594 PolarHBondContact O-N 3.34Å; T1575-S1594 WeakPolarHBondContact OG1-CB 3.27Å; T1575-S1594 PolarHBondContact OG1-O 3.12Å; T1575-S1594 PolarHBondContact OG1-OG 3.16Å; N1577-S1594 PolarHBondContact ND2-OG 3.15Å; S1594-S1598 WeakPolarHBondContact CA-O 3.3Å |
| 1595 | T | 82.5 | Confident | 80.4 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 15% | 0.153 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 167.2 | 160.4 | 61.2 | 0 | 0 | 0 | 0 | 108.4 | L1569 A1574 E1597 S1598 | L1569-T1595 HydrophobicContact CD2-CG2 4.14Å; A1574-T1595 HydrophobicContact CB-CG2 4.47Å; T1595-E1597 PolarHBondContact O-N 2.68Å; T1595-E1597 VanDerWaalsContact O-N 3.15Å; T1595-S1598 PolarHBondContact N-O 2.95Å; T1595-S1598 PolarHBondContact O-N 3.16Å; T1595-S1598 VanDerWaalsContact O-N 3.14Å; T1595-S1598 VanDerWaalsContact O-O 3.07Å; T1595-S1598 PolarHBondContact OG1-N 3.47Å; T1595-S1598 PolarHBondContact OG1-O 3.15Å; T1595-S1598 PolarHBondContact OG1-OG 3.08Å |
| 1596 | E | 74.8 | Confident | 82 | Confident | 177 Ų | 177 | 51 Ų | 51 | 83% | 0.827 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.1 | 177.2 | -59.1 | 176.2 | 154.7 | 0 | 0 | 112.9 | ||
| 1597 | E | 74.4 | Confident | 83.5 | Confident | 152 Ų | 152 | 49 Ų | 49 | 71% | 0.71 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -24.5 | 180 | -61.9 | 177.8 | 170.7 | 0 | 0 | 114 | K1567 T1595 | K1567-E1597 IonicContact NZ-OE1 2.68Å; K1567-E1597 IonicContact NZ-OE2 3.34Å; T1595-E1597 PolarHBondContact O-N 2.68Å; T1595-E1597 VanDerWaalsContact O-N 3.15Å |
| 1598 | S | 78 | Confident | 84.6 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 152.4 | -165.8 | 75.1 | 0 | 0 | 0 | 0 | 115.3 | S1594 T1595 | S1594-S1598 WeakPolarHBondContact CA-O 3.3Å; T1595-S1598 PolarHBondContact N-O 2.95Å; T1595-S1598 PolarHBondContact O-N 3.16Å; T1595-S1598 VanDerWaalsContact O-N 3.14Å; T1595-S1598 VanDerWaalsContact O-O 3.07Å; T1595-S1598 PolarHBondContact OG1-N 3.47Å; T1595-S1598 PolarHBondContact OG1-O 3.15Å; T1595-S1598 PolarHBondContact OG1-OG 3.08Å |
| 1599 | T | 85.7 | Confident | 85.6 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.8 | 165.8 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | L1593 | L1593-T1599 CarbonylContact O-C 3.56Å; L1593-T1599 WeakPolarHBondContact O-CA 3.24Å |
| 1600 | V | 88.1 | Confident | 86.1 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.4 | 178.6 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | L1539 L1569 S1592 L1593 L1602 | L1539-V1600 HydrophobicContact CD1-CG1 4.1Å; L1569-V1600 HydrophobicContact CD1-CG2 4.07Å; L1569-V1600 HydrophobicContact CD2-CG2 4.46Å; S1592-V1600 CarbonylContact C-O 3.59Å; S1592-V1600 WeakPolarHBondContact CA-O 3.47Å; S1592-V1600 WeakPolarHBondContact CB-O 3.4Å; L1593-V1600 PolarHBondContact N-O 2.79Å; L1593-V1600 PolarHBondContact O-N 3.16Å; V1600-L1602 HydrophobicContact CG1-CD1 4.3Å; V1600-L1602 HydrophobicContact CG1-CD2 3.84Å; V1600-L1602 HydrophobicContact CG1-CG 3.96Å |
| 1601 | H | 90.5 | Very high | 86.1 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125 | 175.8 | -56 | -99.6 | 0 | 0 | 0 | 110.1 | A1522 | A1522-H1601 HydrophobicContact CB-CB 3.88Å; A1522-H1601 PolarHBondContact N-O 2.73Å |
| 1602 | L | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.1 | -171.6 | -61.6 | 168.4 | 0 | 0 | 0 | 109.7 | L1519 Y1520 L1528 L1539 Q1590 F1591 L1593 V1600 | L1519-L1602 HydrophobicContact CD1-CD1 4.24Å; Y1520-L1602 CarbonylContact O-C 3.57Å; Y1520-L1602 WeakPolarHBondContact O-CA 2.92Å; L1528-L1602 HydrophobicContact CD1-CD2 4.2Å; L1539-L1602 HydrophobicContact CD1-CD1 4.47Å; L1539-L1602 HydrophobicContact CD1-CD2 4.29Å; L1539-L1602 HydrophobicContact CD2-CD1 4.5Å; Q1590-L1602 CarbonylContact C-O 3.55Å; Q1590-L1602 WeakPolarHBondContact CA-O 3.37Å; F1591-L1602 HydrophobicContact CD1-CB 4.48Å; F1591-L1602 HydrophobicContact CD2-CB 4.45Å; F1591-L1602 HydrophobicContact CE1-CB 4.06Å; F1591-L1602 HydrophobicContact CE2-CB 4.05Å; F1591-L1602 HydrophobicContact CE2-CD1 3.95Å; F1591-L1602 HydrophobicContact CZ-CB 3.84Å; F1591-L1602 HydrophobicContact CZ-CD1 4.19Å; F1591-L1602 PolarHBondContact N-O 3.33Å; F1591-L1602 PolarHBondContact O-N 2.94Å; L1593-L1602 HydrophobicContact CD1-CD1 4.2Å; V1600-L1602 HydrophobicContact CG1-CD1 4.3Å; V1600-L1602 HydrophobicContact CG1-CD2 3.84Å; V1600-L1602 HydrophobicContact CG1-CG 3.96Å |
| 1603 | K | 91.1 | Very high | 86.3 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.1 | 175.4 | 179.9 | 174.6 | 177.4 | 175.6 | 0 | 108.1 | Y1520 C1589 Q1590 | Y1520-K1603 PolarHBondContact N-O 2.8Å; Y1520-K1603 PolarHBondContact O-N 3.48Å; C1589-K1603 HydrophobicContact CB-CG 3.93Å; C1589-K1603 CarbonylContact O-C 3.52Å; C1589-K1603 WeakPolarHBondContact O-CA 3.36Å; Q1590-K1603 HydrophobicContact CG-CB 4.21Å; Q1590-K1603 HydrophobicContact CG-CD 4.39Å; Q1590-K1603 HydrophobicContact CG-CG 4.2Å |
| 1604 | A | 91.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 160.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1519 C1589 F1591 S1606 A1609 R1610 | L1519-A1604 HydrophobicContact CD2-CB 4.37Å; C1589-A1604 PolarHBondContact O-N 3.27Å; F1591-A1604 HydrophobicContact CE1-CB 4.26Å; A1604-S1606 PolarHBondContact O-N 3.48Å; A1604-A1609 HydrophobicContact CB-CB 3.85Å; A1604-R1610 HydrophobicContact CB-CB 4.16Å |
| 1605 | I | 87.9 | Confident | 86.6 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -69.3 | -19.8 | 180 | -165.4 | 157.9 | 0 | 0 | 0 | 113.6 | Y1520 P1549 A1609 | Y1520-I1605 HydrophobicContact CE2-CB 4.47Å; Y1520-I1605 HydrophobicContact CE2-CG1 4.46Å; P1549-I1605 HydrophobicContact CB-CD1 4.18Å; P1549-I1605 VanDerWaalsContact O-CD1 3.29Å; P1549-I1605 WeakPolarHBondContact O-CD1 3.4Å; I1605-A1609 HydrophobicContact CG2-CB 3.99Å |
| 1606 | S | 85.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 70 Ų | 70 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -155.5 | 166.2 | 176.5 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | C1589 A1604 N1608 A1609 R1610 | C1589-S1606 VanDerWaalsContact SG-C 3.58Å; A1604-S1606 PolarHBondContact O-N 3.48Å; S1606-N1608 VanDerWaalsContact C-N 3.29Å; S1606-N1608 PolarHBondContact O-N 2.97Å; S1606-A1609 CarbonylContact O-C 3.6Å; S1606-A1609 WeakPolarHBondContact O-CB 3.4Å; S1606-A1609 PolarHBondContact O-N 3.34Å; S1606-A1609 VanDerWaalsContact O-N 3.13Å; S1606-A1609 PolarHBondContact OG-N 2.72Å; S1606-A1609 VanDerWaalsContact OG-N 3.14Å; S1606-R1610 PolarHBondContact O-N 3.03Å |
| 1607 | G | 82.4 | Confident | 88.2 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1589 A1609 R1610 M1611 | C1589-G1607 PolarHBondContact SG-N 2.71Å; G1607-A1609 VanDerWaalsContact C-N 3.34Å; G1607-A1609 PolarHBondContact O-N 2.63Å; G1607-R1610 WeakPolarHBondContact O-CB 3.37Å; G1607-R1610 PolarHBondContact O-N 3.35Å; G1607-R1610 VanDerWaalsContact O-N 3.16Å; G1607-M1611 PolarHBondContact O-N 3.23Å |
| 1608 | N | 82.4 | Confident | 89 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 66% | 0.658 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.8 | -38.5 | 174.1 | -70 | -13.4 | 0 | 0 | 0 | 111.7 | S1606 M1611 L1612 | S1606-N1608 VanDerWaalsContact C-N 3.29Å; S1606-N1608 PolarHBondContact O-N 2.97Å; N1608-M1611 PolarHBondContact O-N 2.83Å; N1608-L1612 PolarHBondContact O-N 2.78Å |
| 1609 | A | 87.9 | Confident | 89.7 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1604 I1605 S1606 G1607 M1611 L1612 W1613 | A1604-A1609 HydrophobicContact CB-CB 3.85Å; I1605-A1609 HydrophobicContact CG2-CB 3.99Å; S1606-A1609 CarbonylContact O-C 3.6Å; S1606-A1609 WeakPolarHBondContact O-CB 3.4Å; S1606-A1609 PolarHBondContact O-N 3.34Å; S1606-A1609 VanDerWaalsContact O-N 3.13Å; S1606-A1609 PolarHBondContact OG-N 2.72Å; S1606-A1609 VanDerWaalsContact OG-N 3.14Å; G1607-A1609 VanDerWaalsContact C-N 3.34Å; G1607-A1609 PolarHBondContact O-N 2.63Å; A1609-M1611 VanDerWaalsContact C-N 3.33Å; A1609-M1611 PolarHBondContact O-N 3.33Å; A1609-L1612 PolarHBondContact O-N 3.18Å; A1609-W1613 WeakPolarHBondContact O-CB 3.4Å; A1609-W1613 VanDerWaalsContact O-CD1 3.28Å; A1609-W1613 PolarHBondContact O-N 3.16Å |
| 1610 | R | 90.6 | Very high | 90.1 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 170.9 | -179.2 | -178.8 | 77.1 | 161.2 | -0.4 | 110.5 | D1581 S1588 Q1590 F1591 A1604 S1606 G1607 K1614 | D1581-R1610 IonicContact OD1-CZ 2.72Å; D1581-R1610 IonicContact OD1-NH1 3.29Å; D1581-R1610 PolarHBondContact OD1-NH1 3.13Å; D1581-R1610 IonicContact OD1-NH2 2.95Å; D1581-R1610 PolarHBondContact OD1-NH2 3.47Å; D1581-R1610 IonicContact OD2-CZ 3.27Å; D1581-R1610 IonicContact OD2-NH1 3.39Å; D1581-R1610 IonicContact OD2-NH2 2.84Å; D1581-R1610 PolarHBondContact OD2-NH2 3.01Å; S1588-R1610 VanDerWaalsContact O-CD 3.3Å; S1588-R1610 WeakPolarHBondContact O-CD 3.29Å; S1588-R1610 PolarHBondContact O-NE 2.99Å; S1588-R1610 PolarHBondContact O-NH1 3.18Å; Q1590-R1610 WeakPolarHBondContact O-CD 3.43Å; F1591-R1610 HydrophobicContact CD1-CG 4.45Å; A1604-R1610 HydrophobicContact CB-CB 4.16Å; S1606-R1610 PolarHBondContact O-N 3.03Å; G1607-R1610 WeakPolarHBondContact O-CB 3.37Å; G1607-R1610 PolarHBondContact O-N 3.35Å; G1607-R1610 VanDerWaalsContact O-N 3.16Å; R1610-K1614 VanDerWaalsContact O-CB 3.3Å; R1610-K1614 WeakPolarHBondContact O-CB 3.49Å; R1610-K1614 PolarHBondContact O-N 3.05Å |
| 1611 | M | 86.4 | Confident | 90.3 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 179.5 | -68 | -159.9 | -66.3 | 0 | 0 | 113.1 | G1607 N1608 A1609 K1614 K1615 | G1607-M1611 PolarHBondContact O-N 3.23Å; N1608-M1611 PolarHBondContact O-N 2.83Å; A1609-M1611 VanDerWaalsContact C-N 3.33Å; A1609-M1611 PolarHBondContact O-N 3.33Å; M1611-K1614 PolarHBondContact O-N 3.42Å; M1611-K1615 WeakPolarHBondContact O-CB 3.33Å; M1611-K1615 PolarHBondContact O-N 3.21Å |
| 1612 | L | 90.2 | Very high | 90.2 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 176.7 | -177.4 | 59 | 0 | 0 | 0 | 111.5 | N1608 A1609 K1614 K1615 Q1616 | N1608-L1612 PolarHBondContact O-N 2.78Å; A1609-L1612 PolarHBondContact O-N 3.18Å; L1612-K1614 VanDerWaalsContact C-N 3.35Å; L1612-K1614 PolarHBondContact O-N 3.41Å; L1612-K1615 PolarHBondContact O-N 2.93Å; L1612-Q1616 HydrophobicContact CD1-CG 4.16Å; L1612-Q1616 WeakPolarHBondContact O-CG 3.26Å; L1612-Q1616 PolarHBondContact O-N 3.49Å |
| 1613 | W | 93.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 174.4 | -87.2 | 105.4 | 0 | 0 | 0 | 111.6 | H1515 L1519 L1532 L1537 F1591 A1609 Q1616 L1617 | H1515-W1613 AromaticContact CD2-CD2 3.8Å; H1515-W1613 AromaticContact CD2-CE2 3.7Å; H1515-W1613 AromaticContact CD2-CZ2 3.84Å; H1515-W1613 AromaticContact NE2-CE2 3.86Å; H1515-W1613 AromaticContact NE2-NE1 3.89Å; L1519-W1613 HydrophobicContact CD1-CD2 4.14Å; L1519-W1613 HydrophobicContact CD1-CE3 4.35Å; L1519-W1613 HydrophobicContact CD1-CH2 4.01Å; L1519-W1613 HydrophobicContact CD1-CZ2 3.74Å; L1519-W1613 HydrophobicContact CD1-CZ3 4.29Å; L1519-W1613 HydrophobicContact CD2-CD2 4.2Å; L1519-W1613 HydrophobicContact CD2-CG 4.16Å; L1519-W1613 HydrophobicContact CD2-CZ2 4.49Å; L1519-W1613 HydrophobicContact CG-CZ2 4.01Å; L1532-W1613 HydrophobicContact CB-CZ3 4.08Å; L1537-W1613 HydrophobicContact CD1-CH2 4.17Å; L1537-W1613 HydrophobicContact CD1-CZ3 3.74Å; F1591-W1613 HydrophobicContact CE1-CB 4.31Å; F1591-W1613 HydrophobicContact CZ-CB 4.06Å; F1591-W1613 HydrophobicContact CZ-CG 4.23Å; A1609-W1613 WeakPolarHBondContact O-CB 3.4Å; A1609-W1613 VanDerWaalsContact O-CD1 3.28Å; A1609-W1613 PolarHBondContact O-N 3.16Å; W1613-Q1616 PolarHBondContact O-N 2.62Å; W1613-L1617 HydrophobicContact CE3-CD1 4.13Å; W1613-L1617 HydrophobicContact CE3-CG 4.31Å; W1613-L1617 VanDerWaalsContact O-CB 3.26Å; W1613-L1617 WeakPolarHBondContact O-CB 3.33Å; W1613-L1617 WeakPolarHBondContact O-CD1 3.03Å; W1613-L1617 WeakPolarHBondContact O-CG 3.18Å; W1613-L1617 PolarHBondContact O-N 3.07Å |
| 1614 | K | 91 | Very high | 89.6 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.4 | -56.5 | 174.4 | -178.9 | -172.9 | -177.7 | -176 | 0 | 111.3 | L1576 V1578 R1610 M1611 L1612 Q1616 L1617 D1618 | L1576-K1614 HydrophobicContact CD2-CB 4.33Å; L1576-K1614 HydrophobicContact CD2-CG 3.85Å; V1578-K1614 HydrophobicContact CG2-CD 4.08Å; V1578-K1614 HydrophobicContact CG2-CG 4.3Å; R1610-K1614 VanDerWaalsContact O-CB 3.3Å; R1610-K1614 WeakPolarHBondContact O-CB 3.49Å; R1610-K1614 PolarHBondContact O-N 3.05Å; M1611-K1614 PolarHBondContact O-N 3.42Å; L1612-K1614 VanDerWaalsContact C-N 3.35Å; L1612-K1614 PolarHBondContact O-N 3.41Å; K1614-Q1616 VanDerWaalsContact C-N 3.33Å; K1614-Q1616 PolarHBondContact O-N 3.16Å; K1614-L1617 PolarHBondContact O-N 3.17Å; K1614-D1618 VanDerWaalsContact CE-OD2 3.27Å; K1614-D1618 WeakPolarHBondContact CE-OD2 3.25Å; K1614-D1618 VanDerWaalsContact CG-OD2 3.26Å; K1614-D1618 WeakPolarHBondContact CG-OD2 3.36Å; K1614-D1618 WeakPolarHBondContact O-CB 3.44Å; K1614-D1618 PolarHBondContact O-N 3.39Å |
| 1615 | K | 91.9 | Very high | 89.2 | Confident | 157 Ų | 157 | 56.2 Ų | 56.2 | 68% | 0.683 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.4 | -43 | -176.3 | -177.8 | 177.3 | 178.6 | 178.6 | 0 | 112.6 | M1611 L1612 A1619 | M1611-K1615 WeakPolarHBondContact O-CB 3.33Å; M1611-K1615 PolarHBondContact O-N 3.21Å; L1612-K1615 PolarHBondContact O-N 2.93Å; K1615-A1619 WeakPolarHBondContact O-CB 3.5Å; K1615-A1619 PolarHBondContact O-N 2.85Å |
| 1616 | Q | 95.2 | Very high | 88.5 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 27% | 0.271 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 179.6 | -62 | -67.5 | 10.2 | 0 | 0 | 112 | I1514 H1515 L1532 L1612 W1613 K1614 A1620 | I1514-Q1616 HydrophobicContact CG2-CB 4.21Å; H1515-Q1616 HydrophobicContact CB-CB 4.46Å; H1515-Q1616 HydrophobicContact CB-CG 4.26Å; L1532-Q1616 HydrophobicContact CD2-CB 3.75Å; L1612-Q1616 HydrophobicContact CD1-CG 4.16Å; L1612-Q1616 WeakPolarHBondContact O-CG 3.26Å; L1612-Q1616 PolarHBondContact O-N 3.49Å; W1613-Q1616 PolarHBondContact O-N 2.62Å; K1614-Q1616 VanDerWaalsContact C-N 3.33Å; K1614-Q1616 PolarHBondContact O-N 3.16Å; Q1616-A1620 VanDerWaalsContact O-CB 3.28Å; Q1616-A1620 WeakPolarHBondContact O-CB 3.24Å; Q1616-A1620 PolarHBondContact O-N 3.43Å |
| 1617 | L | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 177.2 | -74.1 | 168.6 | 0 | 0 | 0 | 112.2 | L1532 L1537 L1571 L1576 F1591 L1593 W1613 K1614 A1619 A1620 I1621 | L1532-L1617 HydrophobicContact CD1-CD2 3.61Å; L1532-L1617 HydrophobicContact CD2-CD2 3.98Å; L1532-L1617 HydrophobicContact CD2-CG 4.25Å; L1532-L1617 HydrophobicContact CG-CD2 4.43Å; L1537-L1617 HydrophobicContact CD2-CD2 4.28Å; L1571-L1617 HydrophobicContact CD2-CD2 4.39Å; L1576-L1617 HydrophobicContact CD1-CD1 4.14Å; L1576-L1617 HydrophobicContact CD2-CB 4.05Å; F1591-L1617 HydrophobicContact CD2-CD1 4.47Å; F1591-L1617 HydrophobicContact CE2-CD1 3.88Å; L1593-L1617 HydrophobicContact CD1-CD1 4.08Å; L1593-L1617 HydrophobicContact CD2-CD1 4.47Å; L1593-L1617 HydrophobicContact CD2-CD2 4.22Å; W1613-L1617 HydrophobicContact CE3-CD1 4.13Å; W1613-L1617 HydrophobicContact CE3-CG 4.31Å; W1613-L1617 VanDerWaalsContact O-CB 3.26Å; W1613-L1617 WeakPolarHBondContact O-CB 3.33Å; W1613-L1617 WeakPolarHBondContact O-CD1 3.03Å; W1613-L1617 WeakPolarHBondContact O-CG 3.18Å; W1613-L1617 PolarHBondContact O-N 3.07Å; K1614-L1617 PolarHBondContact O-N 3.17Å; L1617-A1619 VanDerWaalsContact C-N 3.32Å; L1617-A1619 PolarHBondContact O-N 2.78Å; L1617-A1620 PolarHBondContact O-N 3.39Å; L1617-I1621 HydrophobicContact CB-CD1 4.48Å; L1617-I1621 VanDerWaalsContact O-CB 3.3Å; L1617-I1621 WeakPolarHBondContact O-CB 3.32Å; L1617-I1621 WeakPolarHBondContact O-CG1 3.39Å; L1617-I1621 PolarHBondContact O-N 2.79Å |
| 1618 | D | 92.3 | Very high | 86.4 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.9 | -77.4 | -32.9 | 0 | 0 | 0 | 111.1 | L1576 K1614 N1622 | L1576-D1618 WeakPolarHBondContact CD2-OD1 3.49Å; K1614-D1618 VanDerWaalsContact CE-OD2 3.27Å; K1614-D1618 WeakPolarHBondContact CE-OD2 3.25Å; K1614-D1618 VanDerWaalsContact CG-OD2 3.26Å; K1614-D1618 WeakPolarHBondContact CG-OD2 3.36Å; K1614-D1618 WeakPolarHBondContact O-CB 3.44Å; K1614-D1618 PolarHBondContact O-N 3.39Å; D1618-N1622 VanDerWaalsContact O-CB 3.29Å; D1618-N1622 WeakPolarHBondContact O-CB 3.32Å; D1618-N1622 VanDerWaalsContact O-CG 3.25Å; D1618-N1622 PolarHBondContact O-N 3.32Å; D1618-N1622 PolarHBondContact O-ND2 2.83Å |
| 1619 | A | 92.3 | Very high | 84.9 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1615 L1617 Q1623 | K1615-A1619 WeakPolarHBondContact O-CB 3.5Å; K1615-A1619 PolarHBondContact O-N 2.85Å; L1617-A1619 VanDerWaalsContact C-N 3.32Å; L1617-A1619 PolarHBondContact O-N 2.78Å; A1619-Q1623 WeakPolarHBondContact O-CB 3.47Å; A1619-Q1623 PolarHBondContact O-N 3.49Å |
| 1620 | A | 93.1 | Very high | 83 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.3 | -41.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1514 L1571 Q1616 L1617 Q1623 A1624 | I1514-A1620 HydrophobicContact CD1-CB 3.8Å; L1571-A1620 HydrophobicContact CD1-CB 3.47Å; L1571-A1620 VanDerWaalsContact CD1-CB 3.47Å; Q1616-A1620 VanDerWaalsContact O-CB 3.28Å; Q1616-A1620 WeakPolarHBondContact O-CB 3.24Å; Q1616-A1620 PolarHBondContact O-N 3.43Å; L1617-A1620 PolarHBondContact O-N 3.39Å; A1620-Q1623 PolarHBondContact O-N 3.28Å; A1620-A1624 VanDerWaalsContact O-CB 3.32Å; A1620-A1624 WeakPolarHBondContact O-CB 3.04Å; A1620-A1624 PolarHBondContact O-N 3.39Å |
| 1621 | I | 92.7 | Very high | 81 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.2 | -70.1 | 168.6 | 0 | 0 | 0 | 110.6 | L1571 A1574 L1576 L1617 Q1623 A1624 R1625 | L1571-I1621 HydrophobicContact CB-CG1 4.06Å; L1571-I1621 HydrophobicContact CD2-CG1 4Å; L1571-I1621 HydrophobicContact CG-CG1 4.46Å; A1574-I1621 HydrophobicContact CB-CD1 4Å; A1574-I1621 HydrophobicContact CB-CG1 4.24Å; L1576-I1621 HydrophobicContact CB-CD1 4.21Å; L1617-I1621 HydrophobicContact CB-CD1 4.48Å; L1617-I1621 VanDerWaalsContact O-CB 3.3Å; L1617-I1621 WeakPolarHBondContact O-CB 3.32Å; L1617-I1621 WeakPolarHBondContact O-CG1 3.39Å; L1617-I1621 PolarHBondContact O-N 2.79Å; I1621-Q1623 PolarHBondContact O-N 3.29Å; I1621-A1624 PolarHBondContact O-N 3.3Å; I1621-R1625 HydrophobicContact CG2-CG 4.43Å; I1621-R1625 WeakPolarHBondContact O-CB 3.34Å; I1621-R1625 VanDerWaalsContact O-CG 3.31Å; I1621-R1625 WeakPolarHBondContact O-CG 3.45Å; I1621-R1625 PolarHBondContact O-N 3.29Å |
| 1622 | N | 89.1 | Confident | 79.5 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 178.8 | -73.3 | -35.6 | 0 | 0 | 0 | 112.1 | D1618 R1625 Q1626 | D1618-N1622 VanDerWaalsContact O-CB 3.29Å; D1618-N1622 WeakPolarHBondContact O-CB 3.32Å; D1618-N1622 VanDerWaalsContact O-CG 3.25Å; D1618-N1622 PolarHBondContact O-N 3.32Å; D1618-N1622 PolarHBondContact O-ND2 2.83Å; N1622-R1625 PolarHBondContact O-N 2.75Å; N1622-Q1626 WeakPolarHBondContact O-CB 3.19Å; N1622-Q1626 VanDerWaalsContact O-CG 3.29Å; N1622-Q1626 WeakPolarHBondContact O-CG 3.31Å; N1622-Q1626 PolarHBondContact O-N 3.45Å |
| 1623 | Q | 86 | Confident | 77.7 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 172.4 | 174.1 | 160.1 | 102 | 0 | 0 | 112.4 | A1619 A1620 I1621 R1627 | A1619-Q1623 WeakPolarHBondContact O-CB 3.47Å; A1619-Q1623 PolarHBondContact O-N 3.49Å; A1620-Q1623 PolarHBondContact O-N 3.28Å; I1621-Q1623 PolarHBondContact O-N 3.29Å; Q1623-R1627 PolarHBondContact O-N 3.31Å |
| 1624 | A | 85.2 | Confident | 75.6 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 2% | 0.017 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1508 L1571 A1620 I1621 S1628 | L1508-A1624 HydrophobicContact CD1-CB 4.14Å; L1571-A1624 HydrophobicContact CB-CB 3.9Å; A1620-A1624 VanDerWaalsContact O-CB 3.32Å; A1620-A1624 WeakPolarHBondContact O-CB 3.04Å; A1620-A1624 PolarHBondContact O-N 3.39Å; I1621-A1624 PolarHBondContact O-N 3.3Å; A1624-S1628 VanDerWaalsContact O-CB 3.32Å; A1624-S1628 WeakPolarHBondContact O-CB 3.47Å; A1624-S1628 PolarHBondContact O-N 3.14Å; A1624-S1628 PolarHBondContact O-OG 2.79Å |
| 1625 | R | 82.7 | Confident | 74 | Confident | 95 Ų | 95 | 74 Ų | 74 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66 | -53.4 | 177.1 | -72 | 173.2 | 179.1 | -165.2 | 0 | 112.3 | A1574 T1575 I1621 N1622 R1627 S1628 V1629 | A1574-R1625 PolarHBondContact O-NH2 3.39Å; T1575-R1625 VanDerWaalsContact CG2-NH2 3.34Å; I1621-R1625 HydrophobicContact CG2-CG 4.43Å; I1621-R1625 WeakPolarHBondContact O-CB 3.34Å; I1621-R1625 VanDerWaalsContact O-CG 3.31Å; I1621-R1625 WeakPolarHBondContact O-CG 3.45Å; I1621-R1625 PolarHBondContact O-N 3.29Å; N1622-R1625 PolarHBondContact O-N 2.75Å; R1625-R1627 VanDerWaalsContact C-N 3.25Å; R1625-R1627 PolarHBondContact O-N 3.4Å; R1625-S1628 PolarHBondContact O-N 3.27Å; R1625-V1629 PolarHBondContact O-N 3.46Å |
| 1626 | Q | 72.5 | Confident | 72.2 | Confident | 148 Ų | 148 | 67.8 Ų | 67.8 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54 | -40.4 | -177.2 | -76.6 | 176.1 | -2.5 | 0 | 0 | 112.8 | N1622 T1630 | N1622-Q1626 WeakPolarHBondContact O-CB 3.19Å; N1622-Q1626 VanDerWaalsContact O-CG 3.29Å; N1622-Q1626 WeakPolarHBondContact O-CG 3.31Å; N1622-Q1626 PolarHBondContact O-N 3.45Å; Q1626-T1630 PolarHBondContact O-OG1 3.27Å |
| 1627 | R | 64.8 | Low | 70.2 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -81.3 | -22.6 | 178.1 | -69.6 | -175.5 | 175 | -173.6 | -3.7 | 114.1 | L1508 Q1623 R1625 | L1508-R1627 HydrophobicContact CD2-CB 3.59Å; L1508-R1627 HydrophobicContact CD2-CG 4.34Å; L1508-R1627 PolarHBondContact O-NH1 3.19Å; Q1623-R1627 PolarHBondContact O-N 3.31Å; R1625-R1627 VanDerWaalsContact C-N 3.25Å; R1625-R1627 PolarHBondContact O-N 3.4Å |
| 1628 | S | 59.4 | Low | 68.5 | Low | 18 Ų | 18 | 72.8 Ų | 72.8 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.6 | -31.8 | 178.2 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | A1624 R1625 | A1624-S1628 VanDerWaalsContact O-CB 3.32Å; A1624-S1628 WeakPolarHBondContact O-CB 3.47Å; A1624-S1628 PolarHBondContact O-N 3.14Å; A1624-S1628 PolarHBondContact O-OG 2.79Å; R1625-S1628 PolarHBondContact O-N 3.27Å |
| 1629 | V | 51.5 | Low | 66.8 | Low | 96 Ų | 96 | 79.6 Ų | 79.6 | 58% | 0.582 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.1 | -33.9 | -179.2 | 176 | 0 | 0 | 0 | 0 | 112.3 | R1625 I1631 | R1625-V1629 PolarHBondContact O-N 3.46Å; V1629-I1631 PolarHBondContact O-N 3.41Å; V1629-I1631 VanDerWaalsContact O-N 3.07Å |
| 1630 | T | 47 | Very low | 65.5 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 60% | 0.601 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.8 | -166.8 | -43.3 | 0 | 0 | 0 | 0 | 115.6 | Q1626 | Q1626-T1630 PolarHBondContact O-OG1 3.27Š|
| 1631 | I | 49.6 | Very low | 64.7 | Low | 51 Ų | 51 | 86 Ų | 86 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -19.3 | -164.1 | -62.3 | 177.6 | 0 | 0 | 0 | 114 | R1507 V1629 K1633 | R1507-I1631 HydrophobicContact CG-CD1 4.44Å; V1629-I1631 PolarHBondContact O-N 3.41Å; V1629-I1631 VanDerWaalsContact O-N 3.07Å; I1631-K1633 PolarHBondContact O-N 3.48Å |
| 1632 | V | 54.2 | Low | 64.3 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -63.3 | -40.9 | -166.7 | -176.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1633 | K | 53.4 | Low | 64.2 | Low | 144 Ų | 144 | 84.6 Ų | 84.6 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 115.2 | 168.4 | -67 | -174.7 | 180 | 172.7 | 0 | 109.6 | I1631 Q1677 | I1631-K1633 PolarHBondContact O-N 3.48Å; K1633-Q1677 HydrophobicContact CG-CG 4.25Å |
| 1634 | Y | 49.9 | Very low | 64.4 | Low | 118 Ų | 118 | 87.7 Ų | 87.7 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.5 | 170.3 | -177.3 | -104.4 | 0 | 0 | 0 | 109.8 | P1636 D1674 S1675 K1676 | Y1634-P1636 HydrophobicContact CE1-CB 4.23Å; Y1634-P1636 HydrophobicContact CE1-CG 4.13Å; Y1634-D1674 VanDerWaalsContact CD1-O 3.29Å; Y1634-D1674 WeakPolarHBondContact CD1-O 3.25Å; Y1634-D1674 HydrophobicContact CE1-CB 4.41Å; Y1634-S1675 CarbonylContact O-C 3.6Å; Y1634-S1675 WeakPolarHBondContact O-CA 3.41Å; Y1634-K1676 PolarHBondContact N-O 2.85Å; Y1634-K1676 PolarHBondContact O-N 2.78Å |
| 1635 | Q | 56.3 | Low | 64.7 | Low | 104 Ų | 104 | 87.6 Ų | 87.6 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | trans | -127.2 | 104.4 | 171.6 | -76.5 | 178.6 | -21 | 0 | 0 | 107.3 | Q1677 Q1694 | Q1635-Q1677 VanDerWaalsContact NE2-NE2 3.16Å; Q1635-Q1694 PolarHBondContact NE2-O 3.4Å | ||
| 1636 | P | 55.2 | Low | 65.2 | Low | 25 Ų | 25 | 84.3 Ų | 84.3 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | trans | -64.2 | 140.8 | 175.1 | 26.5 | -33.4 | 0 | 0 | 0 | 110.7 | Y1634 F1638 D1674 S1675 | Y1634-P1636 HydrophobicContact CE1-CB 4.23Å; Y1634-P1636 HydrophobicContact CE1-CG 4.13Å; P1636-F1638 HydrophobicContact CB-CE1 4.33Å; P1636-F1638 HydrophobicContact CG-CD1 4.37Å; P1636-F1638 HydrophobicContact CG-CE1 3.67Å; P1636-F1638 HydrophobicContact CG-CE2 4.28Å; P1636-F1638 HydrophobicContact CG-CZ 3.63Å; P1636-F1638 PolarHBondContact O-N 2.76Å; P1636-D1674 HydrophobicContact CG-CB 4.19Å; P1636-S1675 WeakPolarHBondContact CD-OG 3.18Å | ||
| 1637 | T | 53.1 | Low | 66.1 | Low | 121 Ų | 121 | 77.2 Ų | 77.2 | 74% | 0.742 | 38% | 0.382 | S | S | * | . | trans | -79.3 | 86.6 | 174.1 | 51.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1638 | F | 58.1 | Low | 67.5 | Low | 43 Ų | 43 | 73.6 Ų | 73.6 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | trans | -58.2 | 138.9 | 172 | -55.1 | -58.7 | 0 | 0 | 0 | 111 | P1636 A1641 L1696 E1698 | P1636-F1638 HydrophobicContact CB-CE1 4.33Å; P1636-F1638 HydrophobicContact CG-CD1 4.37Å; P1636-F1638 HydrophobicContact CG-CE1 3.67Å; P1636-F1638 HydrophobicContact CG-CE2 4.28Å; P1636-F1638 HydrophobicContact CG-CZ 3.63Å; P1636-F1638 PolarHBondContact O-N 2.76Å; F1638-A1641 HydrophobicContact CB-CB 4.29Å; F1638-A1641 HydrophobicContact CD2-CB 4.36Å; F1638-L1696 HydrophobicContact CD2-CB 3.75Å; F1638-L1696 HydrophobicContact CD2-CD1 4.46Å; F1638-L1696 HydrophobicContact CE2-CB 3.82Å; F1638-E1698 HydrophobicContact CB-CG 4.21Å; F1638-E1698 HydrophobicContact CD1-CG 3.5Å; F1638-E1698 VanDerWaalsContact CD1-CG 3.5Å; F1638-E1698 WeakPolarHBondContact CD1-OE1 3.32Å; F1638-E1698 HydrophobicContact CD2-CG 4.22Å; F1638-E1698 HydrophobicContact CE1-CG 3.75Å; F1638-E1698 HydrophobicContact CE2-CG 4.45Å; F1638-E1698 HydrophobicContact CG-CG 3.73Å; F1638-E1698 HydrophobicContact CZ-CG 4.22Å | ||
| 1639 | K | 57.3 | Low | 69.1 | Low | 198 Ų | 198 | 72.8 Ų | 72.8 | 86% | 0.861 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -73.3 | -35.1 | 174.4 | -75.3 | -176.9 | 177.6 | 177 | 0 | 112.1 | ||
| 1640 | H | 65.4 | Low | 71.1 | Confident | 165 Ų | 165 | 69.9 Ų | 69.9 | 76% | 0.764 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -137.5 | 92.8 | 175.6 | -54 | 111.5 | 0 | 0 | 0 | 107.9 | ||
| 1641 | A | 75.9 | Confident | 73.2 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | trans | -77.3 | 137.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | F1638 L1696 F1771 | F1638-A1641 HydrophobicContact CB-CB 4.29Å; F1638-A1641 HydrophobicContact CD2-CB 4.36Å; A1641-L1696 HydrophobicContact CB-CB 4.13Å; A1641-L1696 HydrophobicContact CB-CD1 4.2Å; A1641-L1696 HydrophobicContact CB-CD2 4.41Å; A1641-L1696 HydrophobicContact CB-CG 4.48Å; A1641-F1771 HydrophobicContact CB-CE2 4.07Å; A1641-F1771 WeakPolarHBondContact O-CD2 3.36Å | ||
| 1642 | M | 84.3 | Confident | 75.2 | Confident | 57 Ų | 57 | 65 Ų | 65 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | trans | -92.7 | -18.5 | 179.6 | -172.6 | -153 | 67.3 | 0 | 0 | 111.5 | F1697 L1700 V1770 F1771 | M1642-F1697 HydrophobicContact CE-CD2 3.57Å; M1642-F1697 HydrophobicContact CE-CE2 3.32Å; M1642-F1697 PolarHBondContact N-O 3.49Å; M1642-L1700 HydrophobicContact CE-CB 4.48Å; M1642-L1700 HydrophobicContact CE-CD2 3.59Å; M1642-L1700 HydrophobicContact CE-CG 3.71Å; M1642-L1700 HydrophobicContact SD-CG 4.21Å; M1642-V1770 HydrophobicContact CG-CG1 4.44Å; M1642-V1770 VanDerWaalsContact O-CG1 3.31Å; M1642-V1770 WeakPolarHBondContact O-CG1 3.39Å; M1642-F1771 PolarHBondContact O-N 3.07Å | ||
| 1643 | G | 87.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1696 F1697 N1769 F1771 | G1643-L1696 WeakPolarHBondContact O-CA 3.48Å; G1643-F1697 PolarHBondContact N-O 3.45Å; G1643-F1697 VanDerWaalsContact N-O 3.11Å; G1643-F1697 WeakPolarHBondContact O-CD1 3.38Å; G1643-F1697 PolarHBondContact O-N 2.79Å; G1643-N1769 CarbonylContact C-O 3.53Å; G1643-N1769 VanDerWaalsContact CA-O 3.25Å; G1643-N1769 WeakPolarHBondContact CA-O 3.41Å; G1643-F1771 VanDerWaalsContact C-CE2 3.47Å; G1643-F1771 VanDerWaalsContact CA-CD2 3.48Å |
| 1644 | R | 90.3 | Very high | 78.5 | Confident | 118 Ų | 118 | 64.8 Ų | 64.8 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.8 | 173 | -176 | -179.9 | -178.1 | 172.3 | 1 | 110.6 | F1695 L1696 N1769 F1771 | R1644-F1695 CarbonylContact C-O 3.56Å; R1644-F1695 VanDerWaalsContact CA-O 3.31Å; R1644-F1695 WeakPolarHBondContact CA-O 3.31Å; R1644-F1695 WeakPolarHBondContact CG-O 3.46Å; R1644-L1696 HydrophobicContact CB-CD2 3.88Å; R1644-L1696 HydrophobicContact CG-CD2 4.13Å; R1644-N1769 PolarHBondContact N-O 3.1Å; R1644-N1769 PolarHBondContact O-N 2.85Å; R1644-F1771 HydrophobicContact CB-CE1 4.33Å; R1644-F1771 HydrophobicContact CB-CZ 3.84Å |
| 1645 | I | 91.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.6 | 174.2 | 180 | 174.7 | 0 | 0 | 0 | 109.7 | V1647 V1672 Q1694 F1695 F1697 L1704 M1730 S1767 V1768 | I1645-V1647 HydrophobicContact CD1-CG2 3.86Å; I1645-V1647 HydrophobicContact CG1-CG2 3.83Å; I1645-V1672 HydrophobicContact CG2-CG2 4.23Å; I1645-Q1694 VanDerWaalsContact O-CA 3.3Å; I1645-Q1694 WeakPolarHBondContact O-CA 3.31Å; I1645-F1695 HydrophobicContact CG2-CB 3.72Å; I1645-F1695 HydrophobicContact CG2-CD2 4.29Å; I1645-F1695 PolarHBondContact N-O 3.14Å; I1645-F1695 PolarHBondContact O-N 3.34Å; I1645-F1697 HydrophobicContact CB-CD1 4.33Å; I1645-F1697 HydrophobicContact CB-CE1 4.16Å; I1645-F1697 HydrophobicContact CG2-CD1 4.16Å; I1645-F1697 HydrophobicContact CG2-CE1 4.5Å; I1645-L1704 HydrophobicContact CD1-CD2 4.36Å; I1645-M1730 HydrophobicContact CD1-CE 3.61Å; I1645-M1730 HydrophobicContact CD1-SD 3.59Å; I1645-M1730 VanDerWaalsContact CD1-SD 3.59Å; I1645-S1767 WeakPolarHBondContact CA-O 3.47Å; I1645-V1768 HydrophobicContact CD1-CG2 4.36Å; I1645-V1768 HydrophobicContact CG1-CG2 4.21Å |
| 1646 | S | 91.7 | Very high | 81.7 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.7 | 168.8 | -162.1 | 0 | 0 | 0 | 0 | 109.3 | Q1694 F1766 S1767 | S1646-Q1694 WeakPolarHBondContact OG-CG 3.2Å; S1646-Q1694 PolarHBondContact OG-NE2 3.12Å; S1646-F1766 CarbonylContact O-C 3.59Å; S1646-F1766 WeakPolarHBondContact O-CA 3.45Å; S1646-F1766 WeakPolarHBondContact O-CB 3.22Å; S1646-S1767 PolarHBondContact N-O 3.31Å; S1646-S1767 PolarHBondContact O-N 3.12Å |
| 1647 | V | 93.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.3 | -175.4 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | I1645 S1692 A1693 L1704 K1765 | I1645-V1647 HydrophobicContact CD1-CG2 3.86Å; I1645-V1647 HydrophobicContact CG1-CG2 3.83Å; V1647-S1692 CarbonylContact O-C 3.53Å; V1647-S1692 VanDerWaalsContact O-CA 3.3Å; V1647-S1692 WeakPolarHBondContact O-CA 3.45Å; V1647-A1693 PolarHBondContact N-O 3.13Å; V1647-A1693 PolarHBondContact O-N 3.08Å; V1647-A1693 VanDerWaalsContact O-O 3.14Å; V1647-L1704 HydrophobicContact CG1-CD2 4Å; V1647-L1704 HydrophobicContact CG2-CD1 4.19Å; V1647-L1704 HydrophobicContact CG2-CD2 3.75Å; V1647-K1765 CarbonylContact C-O 3.39Å; V1647-K1765 WeakPolarHBondContact CA-O 3.34Å |
| 1648 | E | 93.5 | Very high | 84.7 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 117.9 | 173.9 | -59.5 | 167.7 | -151.3 | 0 | 0 | 108.8 | Q1650 P1689 C1691 K1765 | E1648-Q1650 PolarHBondContact O-N 3.4Å; E1648-Q1650 PolarHBondContact O-NE2 3.13Å; E1648-Q1650 PolarHBondContact OE2-NE2 2.66Å; E1648-P1689 HydrophobicContact CB-CB 4.07Å; E1648-C1691 WeakPolarHBondContact CA-O 3.38Å; E1648-K1765 HydrophobicContact CB-CB 4.26Å; E1648-K1765 PolarHBondContact N-O 3.39Å; E1648-K1765 PolarHBondContact O-N 2.85Å; E1648-K1765 IonicContact OE1-NZ 3.38Å; E1648-K1765 PolarHBondContact OE1-NZ 2.78Å; E1648-K1765 WeakPolarHBondContact OE2-CD 3.49Å; E1648-K1765 IonicContact OE2-NZ 2.66Å; E1648-K1765 PolarHBondContact OE2-NZ 3.35Å |
| 1649 | V | 93.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 112.2 | 172.6 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | L1670 P1689 L1690 C1691 F1708 V1762 I1764 | V1649-L1670 HydrophobicContact CG2-CD1 4.37Å; V1649-L1670 HydrophobicContact CG2-CD2 4.22Å; V1649-P1689 CarbonylContact O-C 3.6Å; V1649-P1689 WeakPolarHBondContact O-CA 3.38Å; V1649-P1689 WeakPolarHBondContact O-CB 3.12Å; V1649-L1690 HydrophobicContact CG1-CB 4.44Å; V1649-L1690 HydrophobicContact CG1-CD1 4.34Å; V1649-L1690 PolarHBondContact O-N 2.91Å; V1649-C1691 PolarHBondContact N-O 2.73Å; V1649-F1708 HydrophobicContact CG1-CZ 4.24Å; V1649-V1762 HydrophobicContact CG1-CG2 3.82Å; V1649-I1764 HydrophobicContact CG2-CG2 4.49Å |
| 1650 | Q | 93 | Very high | 86.8 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -51.9 | -174.5 | -60.5 | -62.5 | -64.4 | 0 | 0 | 111.4 | E1648 A1688 L1763 K1765 | E1648-Q1650 PolarHBondContact O-N 3.4Å; E1648-Q1650 PolarHBondContact O-NE2 3.13Å; E1648-Q1650 PolarHBondContact OE2-NE2 2.66Å; Q1650-A1688 HydrophobicContact CB-CB 4.3Å; Q1650-A1688 VanDerWaalsContact O-CB 3.28Å; Q1650-A1688 WeakPolarHBondContact O-CB 3.35Å; Q1650-L1763 HydrophobicContact CB-CB 4.06Å; Q1650-L1763 WeakPolarHBondContact CB-O 3.44Å; Q1650-L1763 PolarHBondContact N-O 2.84Å; Q1650-K1765 HydrophobicContact CG-CB 3.88Å |
| 1651 | C | 91.8 | Very high | 87.7 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 165.6 | 172.9 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | L1763 | C1651-L1763 PolarHBondContact O-N 3.4Å |
| 1652 | V | 91.6 | Very high | 88 | Confident | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.2 | 173 | 67.4 | 0 | 0 | 0 | 0 | 109.2 | L1655 P1683 L1690 F1708 L1747 I1761 | V1652-L1655 HydrophobicContact CG2-CD1 4.25Å; V1652-P1683 HydrophobicContact CG1-CB 3.85Å; V1652-L1690 HydrophobicContact CG1-CD1 4.15Å; V1652-F1708 HydrophobicContact CB-CE1 3.99Å; V1652-F1708 HydrophobicContact CB-CZ 3.82Å; V1652-F1708 HydrophobicContact CG1-CE1 4.11Å; V1652-F1708 HydrophobicContact CG1-CZ 4.45Å; V1652-F1708 HydrophobicContact CG2-CD2 4.45Å; V1652-F1708 HydrophobicContact CG2-CE1 4.01Å; V1652-F1708 HydrophobicContact CG2-CE2 3.96Å; V1652-F1708 HydrophobicContact CG2-CZ 3.72Å; V1652-L1747 HydrophobicContact CG2-CD1 3.86Å; V1652-I1761 CarbonylContact C-O 3.51Å; V1652-I1761 WeakPolarHBondContact CA-O 3.16Å |
| 1653 | R | 89.5 | Confident | 87.8 | Confident | 139 Ų | 139 | 51 Ų | 51 | 53% | 0.525 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.8 | 178.4 | -60.1 | -173.6 | -175.2 | 164.7 | -0.1 | 111.7 | L1655 A1760 I1761 | R1653-L1655 VanDerWaalsContact C-N 3.29Å; R1653-L1655 PolarHBondContact O-N 3.07Å; R1653-A1760 WeakPolarHBondContact O-CA 3.12Å; R1653-I1761 HydrophobicContact CB-CG1 3.97Å; R1653-I1761 HydrophobicContact CG-CG1 4.32Å; R1653-I1761 PolarHBondContact N-O 2.98Å; R1653-I1761 PolarHBondContact O-N 3.45Å |
| 1654 | N | 86.5 | Confident | 87.6 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | trans | 53 | 40.7 | 174.1 | -55.2 | -55.4 | 0 | 0 | 0 | 114.2 | P1656 M1756 T1759 | N1654-P1656 WeakPolarHBondContact O-CD 3.17Å; N1654-M1756 HydrophobicContact CB-CE 4.32Å; N1654-M1756 VanDerWaalsContact O-CE 3.26Å; N1654-M1756 WeakPolarHBondContact O-CE 3.47Å; N1654-T1759 PolarHBondContact ND2-O 3.4Å | ||
| 1655 | L | 87.5 | Confident | 87.3 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | trans | -72.9 | 120.2 | 177.8 | -161.8 | 67.8 | 0 | 0 | 0 | 109.8 | V1652 R1653 I1657 V1666 F1708 V1720 L1747 | V1652-L1655 HydrophobicContact CG2-CD1 4.25Å; R1653-L1655 VanDerWaalsContact C-N 3.29Å; R1653-L1655 PolarHBondContact O-N 3.07Å; L1655-I1657 VanDerWaalsContact C-N 3.28Å; L1655-I1657 HydrophobicContact CD2-CD1 4.32Å; L1655-I1657 HydrophobicContact CD2-CG1 4.31Å; L1655-I1657 HydrophobicContact CG-CG1 4.35Å; L1655-I1657 PolarHBondContact O-N 3.35Å; L1655-V1666 HydrophobicContact CD2-CG1 4.1Å; L1655-F1708 HydrophobicContact CD1-CB 3.9Å; L1655-F1708 HydrophobicContact CD1-CD2 4.41Å; L1655-F1708 HydrophobicContact CD1-CG 4.11Å; L1655-F1708 HydrophobicContact CD2-CB 4.03Å; L1655-F1708 HydrophobicContact CD2-CD1 4.13Å; L1655-F1708 HydrophobicContact CD2-CG 4.23Å; L1655-V1720 HydrophobicContact CD1-CB 4.33Å; L1655-V1720 HydrophobicContact CD1-CG2 3.93Å; L1655-V1720 HydrophobicContact CD2-CG2 3.74Å; L1655-V1720 HydrophobicContact CG-CB 4.15Å; L1655-V1720 HydrophobicContact CG-CG2 3.7Å; L1655-L1747 HydrophobicContact CD1-CD1 3.82Å | ||
| 1656 | P | 86.9 | Confident | 87.1 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | trans | -80.3 | 67.3 | -171.4 | 34.7 | -39.7 | 0 | 0 | 0 | 112.5 | N1654 P1658 V1720 L1751 I1752 M1756 | N1654-P1656 WeakPolarHBondContact O-CD 3.17Å; P1656-P1658 WeakPolarHBondContact O-CD 3.22Å; P1656-V1720 VanDerWaalsContact CD-O 3.23Å; P1656-V1720 WeakPolarHBondContact CD-O 3.45Å; P1656-V1720 WeakPolarHBondContact CG-O 3.43Å; P1656-L1751 HydrophobicContact CB-CB 4.19Å; P1656-L1751 WeakPolarHBondContact CB-O 3.4Å; P1656-L1751 HydrophobicContact CG-CB 3.74Å; P1656-L1751 WeakPolarHBondContact CG-O 3.49Å; P1656-I1752 HydrophobicContact CG-CG1 3.69Å; P1656-M1756 HydrophobicContact CB-CE 4.11Å | ||
| 1657 | I | 86.4 | Confident | 87 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | trans | -74.1 | 120.3 | 176.2 | -55 | 170.1 | 0 | 0 | 0 | 109.5 | L1655 C1661 R1662 V1666 P1683 V1710 V1720 | L1655-I1657 VanDerWaalsContact C-N 3.28Å; L1655-I1657 HydrophobicContact CD2-CD1 4.32Å; L1655-I1657 HydrophobicContact CD2-CG1 4.31Å; L1655-I1657 HydrophobicContact CG-CG1 4.35Å; L1655-I1657 PolarHBondContact O-N 3.35Å; I1657-C1661 HydrophobicContact CG2-CB 4.32Å; I1657-R1662 HydrophobicContact CB-CG 4.42Å; I1657-R1662 HydrophobicContact CG2-CG 3.87Å; I1657-V1666 HydrophobicContact CD1-CG2 3.71Å; I1657-P1683 HydrophobicContact CD1-CG 4.17Å; I1657-V1710 HydrophobicContact CG1-CG2 4.49Å; I1657-V1710 HydrophobicContact CG2-CG2 4.18Å; I1657-V1720 HydrophobicContact CG1-CG1 4.45Å | ||
| 1658 | P | 83.8 | Confident | 87 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | trans | -56.5 | 146 | 175.4 | -25.7 | 36 | 0 | 0 | 0 | 112.3 | P1656 D1660 C1661 R1662 L1751 | P1656-P1658 WeakPolarHBondContact O-CD 3.22Å; P1658-D1660 VanDerWaalsContact C-N 3.33Å; P1658-D1660 WeakPolarHBondContact CB-OD1 3.33Å; P1658-D1660 PolarHBondContact O-N 3.26Å; P1658-C1661 HydrophobicContact CB-CB 4Å; P1658-C1661 HydrophobicContact CG-CB 4.35Å; P1658-C1661 WeakPolarHBondContact O-CA 3.41Å; P1658-C1661 WeakPolarHBondContact O-CB 3.29Å; P1658-C1661 PolarHBondContact O-N 3.47Å; P1658-R1662 PolarHBondContact O-N 3.46Å; P1658-L1751 HydrophobicContact CG-CD1 4.23Å | ||
| 1659 | S | 81.7 | Confident | 86.9 | Confident | 109 Ų | 109 | 49.7 Ų | 49.7 | 76% | 0.762 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -33.7 | -168.7 | 45.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1660 | D | 78.3 | Confident | 86.8 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -29.2 | 171.7 | 59.8 | -25.7 | 0 | 0 | 0 | 112.7 | L1496 P1497 P1658 | L1496-D1660 HydrophobicContact CB-CB 4.35Å; P1497-D1660 WeakPolarHBondContact CB-OD2 3.45Å; P1658-D1660 VanDerWaalsContact C-N 3.33Å; P1658-D1660 WeakPolarHBondContact CB-OD1 3.33Å; P1658-D1660 PolarHBondContact O-N 3.26Å |
| 1661 | C | 83.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -85.3 | -9 | -178.5 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | I1657 P1658 A1663 Y1664 V1710 | I1657-C1661 HydrophobicContact CG2-CB 4.32Å; P1658-C1661 HydrophobicContact CB-CB 4Å; P1658-C1661 HydrophobicContact CG-CB 4.35Å; P1658-C1661 WeakPolarHBondContact O-CA 3.41Å; P1658-C1661 WeakPolarHBondContact O-CB 3.29Å; P1658-C1661 PolarHBondContact O-N 3.47Å; C1661-A1663 PolarHBondContact O-N 3.44Å; C1661-A1663 VanDerWaalsContact O-N 3.1Å; C1661-Y1664 PolarHBondContact O-N 3.16Å; C1661-Y1664 VanDerWaalsContact O-N 3.09Å; C1661-V1710 HydrophobicContact CB-CG1 4.27Å |
| 1662 | R | 82.2 | Confident | 86.6 | Confident | 188 Ų | 188 | 50.6 Ų | 50.6 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63.1 | -14.8 | -176.6 | -74.1 | -174.7 | 177 | -146.5 | -2.6 | 115.9 | I1657 P1658 | I1657-R1662 HydrophobicContact CB-CG 4.42Å; I1657-R1662 HydrophobicContact CG2-CG 3.87Å; P1658-R1662 PolarHBondContact O-N 3.46Å |
| 1663 | A | 80.8 | Confident | 86.2 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 81% | 0.81 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -86.8 | -6.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1661 | C1661-A1663 PolarHBondContact O-N 3.44Å; C1661-A1663 VanDerWaalsContact O-N 3.1Å |
| 1664 | Y | 82.9 | Confident | 85.5 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 18% | 0.18 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -96.3 | 149.4 | -178.7 | -68.1 | -91.6 | 0 | 0 | 0 | 111.5 | L1496 C1661 E1711 L1712 Q1713 | L1496-Y1664 VanDerWaalsContact O-CE2 3.31Å; L1496-Y1664 WeakPolarHBondContact O-CE2 3.47Å; L1496-Y1664 PolarHBondContact O-OH 3.32Å; C1661-Y1664 PolarHBondContact O-N 3.16Å; C1661-Y1664 VanDerWaalsContact O-N 3.09Å; Y1664-E1711 WeakPolarHBondContact CD1-O 3.38Å; Y1664-L1712 HydrophobicContact CD1-CD2 3.94Å; Y1664-L1712 HydrophobicContact CD2-CD2 3.65Å; Y1664-L1712 HydrophobicContact CE1-CD2 4.17Å; Y1664-L1712 HydrophobicContact CE2-CD2 3.89Å; Y1664-L1712 HydrophobicContact CG-CD2 3.67Å; Y1664-Q1713 HydrophobicContact CE1-CG 4.28Å |
| 1665 | P | 84.2 | Confident | 85.2 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 136.9 | -179.6 | 27.5 | -34 | 0 | 0 | 0 | 111.4 | E1711 | P1665-E1711 HydrophobicContact CG-CB 4.37Å; P1665-E1711 PolarHBondContact O-N 3.05Å |
| 1666 | V | 88.5 | Confident | 85.1 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.5 | 169.2 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | L1655 I1657 V1681 P1683 F1708 V1710 | L1655-V1666 HydrophobicContact CD2-CG1 4.1Å; I1657-V1666 HydrophobicContact CD1-CG2 3.71Å; V1666-V1681 HydrophobicContact CB-CG2 4.45Å; V1666-V1681 HydrophobicContact CG1-CG2 4.1Å; V1666-V1681 PolarHBondContact O-N 3.19Å; V1666-P1683 HydrophobicContact CG2-CG 4.23Å; V1666-F1708 HydrophobicContact CG1-CD1 4.37Å; V1666-V1710 HydrophobicContact CG2-CG2 4.4Å |
| 1667 | L | 89 | Confident | 84.9 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 155.5 | 173.1 | -49.6 | -175.7 | 0 | 0 | 0 | 109.2 | L1678 L1679 F1708 V1709 E1711 | L1667-L1678 HydrophobicContact CB-CD1 3.76Å; L1667-L1678 HydrophobicContact CB-CG 4.22Å; L1667-L1678 HydrophobicContact CD1-CD1 4.06Å; L1667-L1678 HydrophobicContact CD1-CD2 3.72Å; L1667-L1678 HydrophobicContact CD1-CG 3.84Å; L1667-L1679 CarbonylContact C-O 3.39Å; L1667-L1679 WeakPolarHBondContact CA-O 3.4Å; L1667-F1708 WeakPolarHBondContact O-CA 3.33Å; L1667-V1709 PolarHBondContact N-O 3.31Å; L1667-V1709 PolarHBondContact O-N 3.28Å; L1667-E1711 HydrophobicContact CD1-CB 3.76Å; L1667-E1711 HydrophobicContact CD1-CG 4.33Å; L1667-E1711 HydrophobicContact CG-CB 4.11Å |
| 1668 | V | 92.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.6 | 164.6 | 63.8 | 0 | 0 | 0 | 0 | 109.2 | L1670 L1679 V1681 C1691 V1706 Q1707 F1708 | V1668-L1670 HydrophobicContact CG2-CD2 3.99Å; V1668-L1670 HydrophobicContact CG2-CG 4.3Å; V1668-L1679 HydrophobicContact CG1-CB 4.13Å; V1668-L1679 PolarHBondContact N-O 3.17Å; V1668-L1679 PolarHBondContact O-N 3.22Å; V1668-V1681 HydrophobicContact CB-CG2 4.28Å; V1668-V1681 HydrophobicContact CG1-CG1 3.77Å; V1668-V1681 HydrophobicContact CG1-CG2 4.28Å; V1668-C1691 VanDerWaalsContact CG1-SG 3.52Å; V1668-V1706 HydrophobicContact CG2-CG1 3.78Å; V1668-Q1707 CarbonylContact C-O 3.54Å; V1668-Q1707 VanDerWaalsContact CA-O 3.27Å; V1668-Q1707 WeakPolarHBondContact CA-O 3.44Å; V1668-F1708 HydrophobicContact CB-CD1 4.24Å; V1668-F1708 HydrophobicContact CB-CE1 4.23Å; V1668-F1708 HydrophobicContact CG2-CD1 4.38Å; V1668-F1708 HydrophobicContact CG2-CE1 4.23Å; V1668-F1708 HydrophobicContact CG2-CE2 4.47Å; V1668-F1708 HydrophobicContact CG2-CZ 4.28Å |
| 1669 | E | 91.2 | Very high | 84.8 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.2 | 165.3 | -171.4 | 163.8 | 117.8 | 0 | 0 | 108.5 | K1676 L1678 V1706 Q1707 | E1669-K1676 IonicContact OE1-NZ 2.71Å; E1669-K1676 IonicContact OE2-NZ 2.72Å; E1669-K1676 PolarHBondContact OE2-NZ 3.27Å; E1669-L1678 HydrophobicContact CB-CD1 3.86Å; E1669-V1706 WeakPolarHBondContact O-CA 3.29Å; E1669-Q1707 HydrophobicContact CB-CB 4.49Å; E1669-Q1707 PolarHBondContact N-O 2.59Å; E1669-Q1707 PolarHBondContact O-N 2.72Å |
| 1670 | L | 92.7 | Very high | 85 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.3 | 170.9 | -62.5 | 176.9 | 0 | 0 | 0 | 107.3 | V1649 V1668 K1676 Q1677 L1679 A1693 F1695 V1706 | V1649-L1670 HydrophobicContact CG2-CD1 4.37Å; V1649-L1670 HydrophobicContact CG2-CD2 4.22Å; V1668-L1670 HydrophobicContact CG2-CD2 3.99Å; V1668-L1670 HydrophobicContact CG2-CG 4.3Å; L1670-K1676 WeakPolarHBondContact O-CA 3.32Å; L1670-Q1677 PolarHBondContact N-O 3.36Å; L1670-Q1677 PolarHBondContact O-N 3.37Å; L1670-L1679 HydrophobicContact CD1-CD1 4.12Å; L1670-A1693 HydrophobicContact CB-CB 4.44Å; L1670-A1693 HydrophobicContact CD1-CB 3.58Å; L1670-F1695 HydrophobicContact CB-CE2 3.96Å; L1670-F1695 HydrophobicContact CB-CZ 3.73Å; L1670-F1695 WeakPolarHBondContact O-CZ 3.29Å; L1670-V1706 HydrophobicContact CD2-CB 4.12Å; L1670-V1706 HydrophobicContact CD2-CG1 3.81Å; L1670-V1706 HydrophobicContact CD2-CG2 3.71Å |
| 1671 | K | 90.7 | Very high | 85.4 | Confident | 89 Ų | 89 | 44.4 Ų | 44.4 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.6 | -173 | -179.8 | 178.9 | 178.2 | -176 | 0 | 111.5 | G1673 S1675 K1676 L1704 S1705 | K1671-G1673 WeakPolarHBondContact CE-O 3.19Å; K1671-G1673 WeakPolarHBondContact CG-O 3.31Å; K1671-S1675 CarbonylContact C-O 3.6Å; K1671-S1675 WeakPolarHBondContact CA-O 3.39Å; K1671-K1676 HydrophobicContact CB-CB 4.17Å; K1671-K1676 HydrophobicContact CG-CB 4.19Å; K1671-L1704 WeakPolarHBondContact O-CA 3.38Å; K1671-S1705 PolarHBondContact N-O 3.2Å; K1671-S1705 PolarHBondContact O-N 2.75Å |
| 1672 | V | 89.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 104.7 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | I1645 D1674 S1675 F1695 F1697 C1702 L1704 I1727 | I1645-V1672 HydrophobicContact CG2-CG2 4.23Å; V1672-D1674 PolarHBondContact O-N 3.26Å; V1672-S1675 PolarHBondContact N-O 2.77Å; V1672-S1675 WeakPolarHBondContact O-CB 3.47Å; V1672-S1675 PolarHBondContact O-N 3.35Å; V1672-F1695 HydrophobicContact CB-CB 3.87Å; V1672-F1695 HydrophobicContact CB-CD1 4.38Å; V1672-F1695 HydrophobicContact CB-CD2 4.32Å; V1672-F1695 HydrophobicContact CB-CG 3.94Å; V1672-F1695 HydrophobicContact CG1-CB 4.33Å; V1672-F1695 HydrophobicContact CG2-CB 3.92Å; V1672-F1695 HydrophobicContact CG2-CD1 4.42Å; V1672-F1695 HydrophobicContact CG2-CD2 3.56Å; V1672-F1695 HydrophobicContact CG2-CE2 4.18Å; V1672-F1695 HydrophobicContact CG2-CG 3.71Å; V1672-F1697 HydrophobicContact CG1-CB 4.1Å; V1672-C1702 HydrophobicContact CG1-CB 4.36Å; V1672-L1704 HydrophobicContact CG2-CB 4.32Å; V1672-L1704 HydrophobicContact CG2-CD1 3.68Å; V1672-I1727 HydrophobicContact CG1-CD1 3.94Å |
| 1673 | G | 81.8 | Confident | 85.6 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -129.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1671 S1675 | K1671-G1673 WeakPolarHBondContact CE-O 3.19Å; K1671-G1673 WeakPolarHBondContact CG-O 3.31Å; G1673-S1675 VanDerWaalsContact C-N 3.34Å |
| 1674 | D | 75.6 | Confident | 85.7 | Confident | 117 Ų | 117 | 43.3 Ų | 43.3 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.4 | 173.3 | -72.7 | -18.9 | 0 | 0 | 0 | 113.6 | Y1634 P1636 V1672 | Y1634-D1674 VanDerWaalsContact CD1-O 3.29Å; Y1634-D1674 WeakPolarHBondContact CD1-O 3.25Å; Y1634-D1674 HydrophobicContact CE1-CB 4.41Å; P1636-D1674 HydrophobicContact CG-CB 4.19Å; V1672-D1674 PolarHBondContact O-N 3.26Å |
| 1675 | S | 80.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.4 | -179.8 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | Y1634 P1636 K1671 V1672 G1673 | Y1634-S1675 CarbonylContact O-C 3.6Å; Y1634-S1675 WeakPolarHBondContact O-CA 3.41Å; P1636-S1675 WeakPolarHBondContact CD-OG 3.18Å; K1671-S1675 CarbonylContact C-O 3.6Å; K1671-S1675 WeakPolarHBondContact CA-O 3.39Å; V1672-S1675 PolarHBondContact N-O 2.77Å; V1672-S1675 WeakPolarHBondContact O-CB 3.47Å; V1672-S1675 PolarHBondContact O-N 3.35Å; G1673-S1675 VanDerWaalsContact C-N 3.34Å |
| 1676 | K | 85.4 | Confident | 85.4 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149 | 173.3 | 75 | -178.4 | -152.4 | 148.8 | 0 | 114.5 | Y1634 E1669 L1670 K1671 | Y1634-K1676 PolarHBondContact N-O 2.85Å; Y1634-K1676 PolarHBondContact O-N 2.78Å; E1669-K1676 IonicContact OE1-NZ 2.71Å; E1669-K1676 IonicContact OE2-NZ 2.72Å; E1669-K1676 PolarHBondContact OE2-NZ 3.27Å; L1670-K1676 WeakPolarHBondContact O-CA 3.32Å; K1671-K1676 HydrophobicContact CB-CB 4.17Å; K1671-K1676 HydrophobicContact CG-CB 4.19Å |
| 1677 | Q | 82.6 | Confident | 85 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.4 | 171.4 | -65.6 | -174.4 | 4.9 | 0 | 0 | 109.2 | K1633 Q1635 L1670 F1695 | K1633-Q1677 HydrophobicContact CG-CG 4.25Å; Q1635-Q1677 VanDerWaalsContact NE2-NE2 3.16Å; L1670-Q1677 PolarHBondContact N-O 3.36Å; L1670-Q1677 PolarHBondContact O-N 3.37Å; Q1677-F1695 HydrophobicContact CB-CE1 4.25Å; Q1677-F1695 HydrophobicContact CB-CZ 4.12Å; Q1677-F1695 HydrophobicContact CG-CE1 3.84Å; Q1677-F1695 HydrophobicContact CG-CZ 4.1Å |
| 1678 | L | 83.1 | Confident | 84.6 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.4 | 177.8 | -174.3 | 65.9 | 0 | 0 | 0 | 108.2 | L1667 E1669 | L1667-L1678 HydrophobicContact CB-CD1 3.76Å; L1667-L1678 HydrophobicContact CB-CG 4.22Å; L1667-L1678 HydrophobicContact CD1-CD1 4.06Å; L1667-L1678 HydrophobicContact CD1-CD2 3.72Å; L1667-L1678 HydrophobicContact CD1-CG 3.84Å; E1669-L1678 HydrophobicContact CB-CD1 3.86Å |
| 1679 | L | 85.4 | Confident | 84.3 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.5 | -169.2 | -62.9 | 170.7 | 0 | 0 | 0 | 110.3 | L1667 V1668 L1670 C1691 A1693 | L1667-L1679 CarbonylContact C-O 3.39Å; L1667-L1679 WeakPolarHBondContact CA-O 3.4Å; V1668-L1679 HydrophobicContact CG1-CB 4.13Å; V1668-L1679 PolarHBondContact N-O 3.17Å; V1668-L1679 PolarHBondContact O-N 3.22Å; L1670-L1679 HydrophobicContact CD1-CD1 4.12Å; L1679-C1691 HydrophobicContact CB-CB 4.14Å; L1679-C1691 HydrophobicContact CD1-CB 3.9Å; L1679-A1693 HydrophobicContact CD1-CB 4.22Å |
| 1680 | S | 85.7 | Confident | 84.1 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 58% | 0.58 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 136.9 | 173.7 | -162.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1681 | V | 86.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.8 | 178.5 | -72.9 | 0 | 0 | 0 | 0 | 110.7 | V1666 V1668 L1690 C1691 F1708 | V1666-V1681 HydrophobicContact CB-CG2 4.45Å; V1666-V1681 HydrophobicContact CG1-CG2 4.1Å; V1666-V1681 PolarHBondContact O-N 3.19Å; V1668-V1681 HydrophobicContact CB-CG2 4.28Å; V1668-V1681 HydrophobicContact CG1-CG1 3.77Å; V1668-V1681 HydrophobicContact CG1-CG2 4.28Å; V1681-L1690 HydrophobicContact CG1-CB 4.02Å; V1681-C1691 HydrophobicContact CG1-CB 3.9Å; V1681-F1708 HydrophobicContact CG2-CD1 4.33Å; V1681-F1708 HydrophobicContact CG2-CE1 4.28Å |
| 1682 | D | 85.8 | Confident | 83.9 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | trans | -88.9 | 113.8 | 164.9 | 173.8 | 0 | 0 | 0 | 0 | 107.8 | D1684 R1685 L1690 | D1682-D1684 VanDerWaalsContact C-N 3.28Å; D1682-D1684 PolarHBondContact O-N 3.28Å; D1682-D1684 PolarHBondContact OD1-N 2.85Å; D1682-R1685 HydrophobicContact CB-CB 3.87Å; D1682-R1685 WeakPolarHBondContact O-CB 3.25Å; D1682-R1685 PolarHBondContact O-N 3.12Å; D1682-R1685 PolarHBondContact OD1-N 3.47Å; D1682-L1690 WeakPolarHBondContact O-CD2 3.46Å | ||
| 1683 | P | 83.5 | Confident | 83.9 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19 | -178.7 | 31.7 | -36.3 | 0 | 0 | 0 | 113.4 | V1652 I1657 V1666 | V1652-P1683 HydrophobicContact CG1-CB 3.85Å; I1657-P1683 HydrophobicContact CD1-CG 4.17Å; V1666-P1683 HydrophobicContact CG2-CG 4.23Å |
| 1684 | D | 82.7 | Confident | 84.3 | Confident | 141 Ų | 141 | 63.6 Ų | 63.6 | 75% | 0.754 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -6.9 | 178.3 | -72.6 | -43.5 | 0 | 0 | 0 | 112.3 | D1682 K1686 | D1682-D1684 VanDerWaalsContact C-N 3.28Å; D1682-D1684 PolarHBondContact O-N 3.28Å; D1682-D1684 PolarHBondContact OD1-N 2.85Å; D1684-K1686 PolarHBondContact O-N 3.07Å |
| 1685 | R | 82.5 | Confident | 85 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | trans | -64.5 | 122.7 | 176 | -179.5 | 170.6 | 179 | -117.4 | -5.6 | 111.3 | D1682 E1687 P1689 L1690 | D1682-R1685 HydrophobicContact CB-CB 3.87Å; D1682-R1685 WeakPolarHBondContact O-CB 3.25Å; D1682-R1685 PolarHBondContact O-N 3.12Å; D1682-R1685 PolarHBondContact OD1-N 3.47Å; R1685-E1687 HydrophobicContact CG-CB 4.2Å; R1685-E1687 IonicContact CZ-OE2 3.22Å; R1685-E1687 IonicContact NE-OE2 3.22Å; R1685-E1687 PolarHBondContact NE-OE2 2.77Å; R1685-E1687 VanDerWaalsContact NE-OE2 3.12Å; R1685-E1687 IonicContact NH2-OE2 3.98Å; R1685-E1687 PolarHBondContact NH2-OE2 3.29Å; R1685-P1689 PolarHBondContact NH1-O 3.33Å; R1685-L1690 HydrophobicContact CB-CD2 3.88Å; R1685-L1690 HydrophobicContact CG-CD2 4.22Å | ||
| 1686 | K | 77.5 | Confident | 85.4 | Confident | 209 Ų | 209 | 61.2 Ų | 61.2 | 91% | 0.909 | 33% | 0.325 | S | S | * | . | trans | -83.7 | -11.5 | -177.8 | -63.5 | 178.9 | -179 | 175.1 | 0 | 114.7 | D1684 | D1684-K1686 PolarHBondContact O-N 3.07Š| ||
| 1687 | E | 79.8 | Confident | 85.5 | Confident | 125 Ų | 125 | 58.6 Ų | 58.6 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -89.7 | 127.8 | -179.1 | -62.5 | 174.5 | 159 | 0 | 0 | 111 | R1685 | R1685-E1687 HydrophobicContact CG-CB 4.2Å; R1685-E1687 IonicContact CZ-OE2 3.22Å; R1685-E1687 IonicContact NE-OE2 3.22Å; R1685-E1687 PolarHBondContact NE-OE2 2.77Å; R1685-E1687 VanDerWaalsContact NE-OE2 3.12Å; R1685-E1687 IonicContact NH2-OE2 3.98Å; R1685-E1687 PolarHBondContact NH2-OE2 3.29Å |
| 1688 | A | 81.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -98.7 | 146.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1650 | Q1650-A1688 HydrophobicContact CB-CB 4.3Å; Q1650-A1688 VanDerWaalsContact O-CB 3.28Å; Q1650-A1688 WeakPolarHBondContact O-CB 3.35Å |
| 1689 | P | 86 | Confident | 85.7 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | cis | -78.5 | 152.7 | -6.8 | 32.8 | -34.6 | 0 | 0 | 0 | 112.9 | E1648 V1649 R1685 | E1648-P1689 HydrophobicContact CB-CB 4.07Å; V1649-P1689 CarbonylContact O-C 3.6Å; V1649-P1689 WeakPolarHBondContact O-CA 3.38Å; V1649-P1689 WeakPolarHBondContact O-CB 3.12Å; R1685-P1689 PolarHBondContact NH1-O 3.33Å |
| 1690 | L | 86 | Confident | 85.6 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -65.3 | -43.1 | 168.3 | -63.9 | -175 | 0 | 0 | 0 | 111.2 | V1649 V1652 V1681 D1682 R1685 | V1649-L1690 HydrophobicContact CG1-CB 4.44Å; V1649-L1690 HydrophobicContact CG1-CD1 4.34Å; V1649-L1690 PolarHBondContact O-N 2.91Å; V1652-L1690 HydrophobicContact CG1-CD1 4.15Å; V1681-L1690 HydrophobicContact CG1-CB 4.02Å; D1682-L1690 WeakPolarHBondContact O-CD2 3.46Å; R1685-L1690 HydrophobicContact CB-CD2 3.88Å; R1685-L1690 HydrophobicContact CG-CD2 4.22Å |
| 1691 | C | 89 | Confident | 85.6 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 170.7 | 174.5 | 73.5 | 0 | 0 | 0 | 0 | 111.7 | E1648 V1649 V1668 L1679 V1681 | E1648-C1691 WeakPolarHBondContact CA-O 3.38Å; V1649-C1691 PolarHBondContact N-O 2.73Å; V1668-C1691 VanDerWaalsContact CG1-SG 3.52Å; L1679-C1691 HydrophobicContact CB-CB 4.14Å; L1679-C1691 HydrophobicContact CD1-CB 3.9Å; V1681-C1691 HydrophobicContact CG1-CB 3.9Å |
| 1692 | S | 90.1 | Very high | 85.7 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 140.9 | 177.9 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | V1647 | V1647-S1692 CarbonylContact O-C 3.53Å; V1647-S1692 VanDerWaalsContact O-CA 3.3Å; V1647-S1692 WeakPolarHBondContact O-CA 3.45Å |
| 1693 | A | 90.6 | Very high | 86 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 159.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1647 L1670 L1679 F1695 | V1647-A1693 PolarHBondContact N-O 3.13Å; V1647-A1693 PolarHBondContact O-N 3.08Å; V1647-A1693 VanDerWaalsContact O-O 3.14Å; L1670-A1693 HydrophobicContact CB-CB 4.44Å; L1670-A1693 HydrophobicContact CD1-CB 3.58Å; L1679-A1693 HydrophobicContact CD1-CB 4.22Å; A1693-F1695 HydrophobicContact CB-CE2 3.65Å; A1693-F1695 HydrophobicContact CB-CZ 3.85Å |
| 1694 | Q | 90 | Very high | 86.5 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142 | 177.5 | -73.5 | 177.5 | -12.5 | 0 | 0 | 109.7 | Q1635 I1645 S1646 | Q1635-Q1694 PolarHBondContact NE2-O 3.4Å; I1645-Q1694 VanDerWaalsContact O-CA 3.3Å; I1645-Q1694 WeakPolarHBondContact O-CA 3.31Å; S1646-Q1694 WeakPolarHBondContact OG-CG 3.2Å; S1646-Q1694 PolarHBondContact OG-NE2 3.12Å |
| 1695 | F | 90 | Very high | 87 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.3 | -177.2 | -54.5 | -84.2 | 0 | 0 | 0 | 111.1 | R1644 I1645 L1670 V1672 Q1677 A1693 | R1644-F1695 CarbonylContact C-O 3.56Å; R1644-F1695 VanDerWaalsContact CA-O 3.31Å; R1644-F1695 WeakPolarHBondContact CA-O 3.31Å; R1644-F1695 WeakPolarHBondContact CG-O 3.46Å; I1645-F1695 HydrophobicContact CG2-CB 3.72Å; I1645-F1695 HydrophobicContact CG2-CD2 4.29Å; I1645-F1695 PolarHBondContact N-O 3.14Å; I1645-F1695 PolarHBondContact O-N 3.34Å; L1670-F1695 HydrophobicContact CB-CE2 3.96Å; L1670-F1695 HydrophobicContact CB-CZ 3.73Å; L1670-F1695 WeakPolarHBondContact O-CZ 3.29Å; V1672-F1695 HydrophobicContact CB-CB 3.87Å; V1672-F1695 HydrophobicContact CB-CD1 4.38Å; V1672-F1695 HydrophobicContact CB-CD2 4.32Å; V1672-F1695 HydrophobicContact CB-CG 3.94Å; V1672-F1695 HydrophobicContact CG1-CB 4.33Å; V1672-F1695 HydrophobicContact CG2-CB 3.92Å; V1672-F1695 HydrophobicContact CG2-CD1 4.42Å; V1672-F1695 HydrophobicContact CG2-CD2 3.56Å; V1672-F1695 HydrophobicContact CG2-CE2 4.18Å; V1672-F1695 HydrophobicContact CG2-CG 3.71Å; Q1677-F1695 HydrophobicContact CB-CE1 4.25Å; Q1677-F1695 HydrophobicContact CB-CZ 4.12Å; Q1677-F1695 HydrophobicContact CG-CE1 3.84Å; Q1677-F1695 HydrophobicContact CG-CZ 4.1Å; A1693-F1695 HydrophobicContact CB-CE2 3.65Å; A1693-F1695 HydrophobicContact CB-CZ 3.85Å |
| 1696 | L | 88.4 | Confident | 87.6 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 155.7 | 163.2 | -64 | 177.8 | 0 | 0 | 0 | 108.9 | F1638 A1641 G1643 R1644 F1771 | F1638-L1696 HydrophobicContact CD2-CB 3.75Å; F1638-L1696 HydrophobicContact CD2-CD1 4.46Å; F1638-L1696 HydrophobicContact CE2-CB 3.82Å; A1641-L1696 HydrophobicContact CB-CB 4.13Å; A1641-L1696 HydrophobicContact CB-CD1 4.2Å; A1641-L1696 HydrophobicContact CB-CD2 4.41Å; A1641-L1696 HydrophobicContact CB-CG 4.48Å; G1643-L1696 WeakPolarHBondContact O-CA 3.48Å; R1644-L1696 HydrophobicContact CB-CD2 3.88Å; R1644-L1696 HydrophobicContact CG-CD2 4.13Å; L1696-F1771 HydrophobicContact CD2-CE2 4.11Å; L1696-F1771 HydrophobicContact CD2-CZ 4Å |
| 1697 | F | 87.7 | Confident | 88.3 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.6 | 175.9 | 58.5 | -87.3 | 0 | 0 | 0 | 111.9 | M1642 G1643 I1645 V1672 L1700 C1702 I1727 V1768 V1770 | M1642-F1697 HydrophobicContact CE-CD2 3.57Å; M1642-F1697 HydrophobicContact CE-CE2 3.32Å; M1642-F1697 PolarHBondContact N-O 3.49Å; G1643-F1697 PolarHBondContact N-O 3.45Å; G1643-F1697 VanDerWaalsContact N-O 3.11Å; G1643-F1697 WeakPolarHBondContact O-CD1 3.38Å; G1643-F1697 PolarHBondContact O-N 2.79Å; I1645-F1697 HydrophobicContact CB-CD1 4.33Å; I1645-F1697 HydrophobicContact CB-CE1 4.16Å; I1645-F1697 HydrophobicContact CG2-CD1 4.16Å; I1645-F1697 HydrophobicContact CG2-CE1 4.5Å; V1672-F1697 HydrophobicContact CG1-CB 4.1Å; F1697-L1700 HydrophobicContact CE2-CD2 4.49Å; F1697-C1702 HydrophobicContact CB-CB 4.24Å; F1697-I1727 HydrophobicContact CB-CD1 3.76Å; F1697-I1727 HydrophobicContact CD1-CD1 3.63Å; F1697-I1727 HydrophobicContact CD2-CD1 3.79Å; F1697-I1727 HydrophobicContact CD2-CG2 4.2Å; F1697-I1727 HydrophobicContact CE1-CD1 4.07Å; F1697-I1727 HydrophobicContact CE1-CG2 4.33Å; F1697-I1727 HydrophobicContact CE2-CD1 4.23Å; F1697-I1727 HydrophobicContact CE2-CG2 3.68Å; F1697-I1727 HydrophobicContact CG-CD1 3.47Å; F1697-I1727 VanDerWaalsContact CG-CD1 3.47Å; F1697-I1727 HydrophobicContact CZ-CD1 4.37Å; F1697-I1727 HydrophobicContact CZ-CG2 3.77Å; F1697-V1768 HydrophobicContact CE1-CG1 3.97Å; F1697-V1768 HydrophobicContact CZ-CG1 3.61Å; F1697-V1770 HydrophobicContact CZ-CG2 4.37Å |
| 1698 | E | 85.1 | Confident | 89 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -94.8 | -17 | -179.3 | -63.4 | -174.8 | 129.4 | 0 | 0 | 113 | F1638 | F1638-E1698 HydrophobicContact CB-CG 4.21Å; F1638-E1698 HydrophobicContact CD1-CG 3.5Å; F1638-E1698 VanDerWaalsContact CD1-CG 3.5Å; F1638-E1698 WeakPolarHBondContact CD1-OE1 3.32Å; F1638-E1698 HydrophobicContact CD2-CG 4.22Å; F1638-E1698 HydrophobicContact CE1-CG 3.75Å; F1638-E1698 HydrophobicContact CE2-CG 4.45Å; F1638-E1698 HydrophobicContact CG-CG 3.73Å; F1638-E1698 HydrophobicContact CZ-CG 4.22Å |
| 1699 | S | 84.7 | Confident | 89.3 | Confident | 48 Ų | 48 | 43.6 Ų | 43.6 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | trans | -147 | 149.9 | -177.1 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | R1701 C1702 | S1699-R1701 PolarHBondContact O-N 2.88Å; S1699-R1701 PolarHBondContact OG-N 3.47Å; S1699-C1702 VanDerWaalsContact O-CB 3.31Å; S1699-C1702 WeakPolarHBondContact O-CB 3.37Å; S1699-C1702 PolarHBondContact O-N 3.33Å; S1699-C1702 VanDerWaalsContact O-N 3.1Å; S1699-C1702 PolarHBondContact O-SG 3.46Å; S1699-C1702 VanDerWaalsContact O-SG 3.36Å | ||
| 1700 | L | 84.8 | Confident | 89.4 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -22.8 | 171.6 | -62.7 | 175.6 | 0 | 0 | 0 | 112.1 | M1642 F1697 C1702 E1728 I1731 V1770 | M1642-L1700 HydrophobicContact CE-CB 4.48Å; M1642-L1700 HydrophobicContact CE-CD2 3.59Å; M1642-L1700 HydrophobicContact CE-CG 3.71Å; M1642-L1700 HydrophobicContact SD-CG 4.21Å; F1697-L1700 HydrophobicContact CE2-CD2 4.49Å; L1700-C1702 PolarHBondContact O-N 2.8Å; L1700-E1728 PolarHBondContact O-N 3.45Å; L1700-I1731 HydrophobicContact CD2-CD1 3.49Å; L1700-I1731 VanDerWaalsContact CD2-CD1 3.49Å; L1700-V1770 HydrophobicContact CD2-CG2 4.33Å |
| 1701 | R | 84.5 | Confident | 89.3 | Confident | 221 Ų | 221 | 42.6 Ų | 42.6 | 83% | 0.834 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -5.9 | 175.3 | -62.2 | -177 | 180 | 175.5 | 0.3 | 113.7 | S1699 | S1699-R1701 PolarHBondContact O-N 2.88Å; S1699-R1701 PolarHBondContact OG-N 3.47Å |
| 1702 | C | 89.2 | Confident | 89 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | trans | -63.6 | 144.1 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 110.2 | V1672 F1697 S1699 L1700 I1727 | V1672-C1702 HydrophobicContact CG1-CB 4.36Å; F1697-C1702 HydrophobicContact CB-CB 4.24Å; S1699-C1702 VanDerWaalsContact O-CB 3.31Å; S1699-C1702 WeakPolarHBondContact O-CB 3.37Å; S1699-C1702 PolarHBondContact O-N 3.33Å; S1699-C1702 VanDerWaalsContact O-N 3.1Å; S1699-C1702 PolarHBondContact O-SG 3.46Å; S1699-C1702 VanDerWaalsContact O-SG 3.36Å; L1700-C1702 PolarHBondContact O-N 2.8Å; C1702-I1727 HydrophobicContact CB-CD1 3.9Å; C1702-I1727 WeakPolarHBondContact O-CB 3.25Å; C1702-I1727 WeakPolarHBondContact O-CG1 3.41Å; C1702-I1727 PolarHBondContact O-N 3.26Å | ||
| 1703 | V | 92.1 | Very high | 88.3 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 38% | 0.376 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135 | -178.8 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1704 | L | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.5 | 163.9 | 173 | 65.8 | 0 | 0 | 0 | 108.2 | I1645 V1647 K1671 V1672 V1706 S1724 I1725 M1730 I1764 | I1645-L1704 HydrophobicContact CD1-CD2 4.36Å; V1647-L1704 HydrophobicContact CG1-CD2 4Å; V1647-L1704 HydrophobicContact CG2-CD1 4.19Å; V1647-L1704 HydrophobicContact CG2-CD2 3.75Å; K1671-L1704 WeakPolarHBondContact O-CA 3.38Å; V1672-L1704 HydrophobicContact CG2-CB 4.32Å; V1672-L1704 HydrophobicContact CG2-CD1 3.68Å; L1704-V1706 HydrophobicContact CD2-CG2 4.41Å; L1704-V1706 HydrophobicContact CG-CG2 4.14Å; L1704-S1724 CarbonylContact O-C 3.56Å; L1704-S1724 WeakPolarHBondContact O-CA 3.31Å; L1704-S1724 WeakPolarHBondContact O-CB 3.46Å; L1704-I1725 HydrophobicContact CB-CG2 4.08Å; L1704-I1725 HydrophobicContact CD2-CG2 4.16Å; L1704-I1725 HydrophobicContact CG-CG2 4.47Å; L1704-I1725 PolarHBondContact N-O 2.83Å; L1704-I1725 PolarHBondContact O-N 3.23Å; L1704-M1730 HydrophobicContact CB-SD 4.17Å; L1704-M1730 HydrophobicContact CD2-CE 3.7Å; L1704-M1730 HydrophobicContact CD2-SD 4.18Å; L1704-I1764 HydrophobicContact CD2-CD1 4.24Å |
| 1705 | S | 93.4 | Very high | 87 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.6 | 168.5 | -179.4 | 0 | 0 | 0 | 0 | 110 | K1671 | K1671-S1705 PolarHBondContact N-O 3.2Å; K1671-S1705 PolarHBondContact O-N 2.75Å |
| 1706 | V | 94.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 109.8 | 179.1 | -178 | 0 | 0 | 0 | 0 | 107.6 | V1668 E1669 L1670 L1704 F1708 E1722 T1723 | V1668-V1706 HydrophobicContact CG2-CG1 3.78Å; E1669-V1706 WeakPolarHBondContact O-CA 3.29Å; L1670-V1706 HydrophobicContact CD2-CB 4.12Å; L1670-V1706 HydrophobicContact CD2-CG1 3.81Å; L1670-V1706 HydrophobicContact CD2-CG2 3.71Å; L1704-V1706 HydrophobicContact CD2-CG2 4.41Å; L1704-V1706 HydrophobicContact CG-CG2 4.14Å; V1706-F1708 HydrophobicContact CG1-CE2 4.04Å; V1706-E1722 CarbonylContact O-C 3.54Å; V1706-E1722 WeakPolarHBondContact O-CA 3.29Å; V1706-T1723 HydrophobicContact CB-CG2 4Å; V1706-T1723 PolarHBondContact N-O 3.48Å; V1706-T1723 PolarHBondContact O-N 3.5Å |
| 1707 | Q | 93.5 | Very high | 86.2 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.5 | -179.7 | -60.9 | -170.9 | -43.3 | 0 | 0 | 110.8 | V1668 E1669 V1709 E1722 | V1668-Q1707 CarbonylContact C-O 3.54Å; V1668-Q1707 VanDerWaalsContact CA-O 3.27Å; V1668-Q1707 WeakPolarHBondContact CA-O 3.44Å; E1669-Q1707 HydrophobicContact CB-CB 4.49Å; E1669-Q1707 PolarHBondContact N-O 2.59Å; E1669-Q1707 PolarHBondContact O-N 2.72Å; Q1707-V1709 HydrophobicContact CB-CG2 4.26Å; Q1707-E1722 HydrophobicContact CB-CB 4.37Å; Q1707-E1722 HydrophobicContact CG-CB 3.81Å; Q1707-E1722 PolarHBondContact NE2-OE2 2.87Å |
| 1708 | F | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.4 | 171.1 | -68.8 | -92.1 | 0 | 0 | 0 | 110 | V1649 V1652 L1655 V1666 L1667 V1668 V1681 V1706 V1720 G1721 L1747 V1762 | V1649-F1708 HydrophobicContact CG1-CZ 4.24Å; V1652-F1708 HydrophobicContact CB-CE1 3.99Å; V1652-F1708 HydrophobicContact CB-CZ 3.82Å; V1652-F1708 HydrophobicContact CG1-CE1 4.11Å; V1652-F1708 HydrophobicContact CG1-CZ 4.45Å; V1652-F1708 HydrophobicContact CG2-CD2 4.45Å; V1652-F1708 HydrophobicContact CG2-CE1 4.01Å; V1652-F1708 HydrophobicContact CG2-CE2 3.96Å; V1652-F1708 HydrophobicContact CG2-CZ 3.72Å; L1655-F1708 HydrophobicContact CD1-CB 3.9Å; L1655-F1708 HydrophobicContact CD1-CD2 4.41Å; L1655-F1708 HydrophobicContact CD1-CG 4.11Å; L1655-F1708 HydrophobicContact CD2-CB 4.03Å; L1655-F1708 HydrophobicContact CD2-CD1 4.13Å; L1655-F1708 HydrophobicContact CD2-CG 4.23Å; V1666-F1708 HydrophobicContact CG1-CD1 4.37Å; L1667-F1708 WeakPolarHBondContact O-CA 3.33Å; V1668-F1708 HydrophobicContact CB-CD1 4.24Å; V1668-F1708 HydrophobicContact CB-CE1 4.23Å; V1668-F1708 HydrophobicContact CG2-CD1 4.38Å; V1668-F1708 HydrophobicContact CG2-CE1 4.23Å; V1668-F1708 HydrophobicContact CG2-CE2 4.47Å; V1668-F1708 HydrophobicContact CG2-CZ 4.28Å; V1681-F1708 HydrophobicContact CG2-CD1 4.33Å; V1681-F1708 HydrophobicContact CG2-CE1 4.28Å; V1706-F1708 HydrophobicContact CG1-CE2 4.04Å; F1708-V1720 HydrophobicContact CB-CG2 3.94Å; F1708-V1720 WeakPolarHBondContact O-CG2 3.2Å; F1708-V1720 PolarHBondContact O-N 3Å; F1708-G1721 PolarHBondContact N-O 2.77Å; F1708-G1721 PolarHBondContact O-N 3.43Å; F1708-L1747 HydrophobicContact CD2-CD1 4.33Å; F1708-L1747 HydrophobicContact CD2-CD2 4.04Å; F1708-L1747 HydrophobicContact CE2-CD1 4.45Å; F1708-L1747 HydrophobicContact CE2-CD2 4.07Å; F1708-V1762 HydrophobicContact CE2-CB 4.03Å; F1708-V1762 HydrophobicContact CE2-CG2 3.88Å; F1708-V1762 HydrophobicContact CZ-CB 4.33Å; F1708-V1762 HydrophobicContact CZ-CG2 3.77Å |
| 1709 | V | 89.5 | Confident | 86.1 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.3 | -167 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | L1667 Q1707 S1717 I1718 I1719 | L1667-V1709 PolarHBondContact N-O 3.31Å; L1667-V1709 PolarHBondContact O-N 3.28Å; Q1707-V1709 HydrophobicContact CB-CG2 4.26Å; V1709-S1717 VanDerWaalsContact CG1-CB 3.47Å; V1709-I1718 CarbonylContact C-O 3.51Å; V1709-I1718 WeakPolarHBondContact CA-O 3.3Å; V1709-I1719 HydrophobicContact CG2-CG1 4.3Å |
| 1710 | V | 87.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.6 | 170.9 | -179 | 0 | 0 | 0 | 0 | 108.4 | I1657 C1661 V1666 L1712 S1717 I1718 V1720 | I1657-V1710 HydrophobicContact CG1-CG2 4.49Å; I1657-V1710 HydrophobicContact CG2-CG2 4.18Å; C1661-V1710 HydrophobicContact CB-CG1 4.27Å; V1666-V1710 HydrophobicContact CG2-CG2 4.4Å; V1710-L1712 HydrophobicContact CG1-CD2 4.14Å; V1710-L1712 PolarHBondContact O-N 3.28Å; V1710-L1712 VanDerWaalsContact O-N 3.16Å; V1710-S1717 CarbonylContact O-C 3.57Å; V1710-S1717 VanDerWaalsContact O-CA 3.27Å; V1710-S1717 WeakPolarHBondContact O-CA 3.28Å; V1710-S1717 VanDerWaalsContact O-CB 3.26Å; V1710-S1717 WeakPolarHBondContact O-CB 3.31Å; V1710-I1718 PolarHBondContact N-O 2.84Å; V1710-I1718 PolarHBondContact O-N 2.66Å; V1710-V1720 HydrophobicContact CG2-CG1 3.68Å; V1710-V1720 HydrophobicContact CG2-CG2 4.13Å |
| 1711 | E | 84.2 | Confident | 86.7 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | trans | -79.5 | 99.6 | -179.3 | -174.7 | 170.3 | -130.2 | 0 | 0 | 111.1 | R1507 Y1664 P1665 L1667 | R1507-E1711 IonicContact CZ-OE1 3.18Å; R1507-E1711 IonicContact NE-OE1 3.67Å; R1507-E1711 IonicContact NH2-OE1 2.69Å; R1507-E1711 PolarHBondContact NH2-OE1 3.06Å; R1507-E1711 IonicContact NH2-OE2 3.63Å; R1507-E1711 PolarHBondContact NH2-OE2 3.33Å; Y1664-E1711 WeakPolarHBondContact CD1-O 3.38Å; P1665-E1711 HydrophobicContact CG-CB 4.37Å; P1665-E1711 PolarHBondContact O-N 3.05Å; L1667-E1711 HydrophobicContact CD1-CB 3.76Å; L1667-E1711 HydrophobicContact CD1-CG 4.33Å; L1667-E1711 HydrophobicContact CG-CB 4.11Å | ||
| 1712 | L | 81.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | trans | -82.2 | 136.9 | 173.5 | -62.6 | -175.7 | 0 | 0 | 0 | 110.1 | P1497 N1506 Y1664 V1710 S1715 I1718 | P1497-L1712 HydrophobicContact CG-CD1 3.54Å; P1497-L1712 HydrophobicContact CG-CD2 4.01Å; P1497-L1712 HydrophobicContact CG-CG 4.41Å; N1506-L1712 PolarHBondContact ND2-O 2.82Å; Y1664-L1712 HydrophobicContact CD1-CD2 3.94Å; Y1664-L1712 HydrophobicContact CD2-CD2 3.65Å; Y1664-L1712 HydrophobicContact CE1-CD2 4.17Å; Y1664-L1712 HydrophobicContact CE2-CD2 3.89Å; Y1664-L1712 HydrophobicContact CG-CD2 3.67Å; V1710-L1712 HydrophobicContact CG1-CD2 4.14Å; V1710-L1712 PolarHBondContact O-N 3.28Å; V1710-L1712 VanDerWaalsContact O-N 3.16Å; L1712-S1715 WeakPolarHBondContact CB-O 3.2Å; L1712-I1718 HydrophobicContact CD1-CD1 3.75Å; L1712-I1718 HydrophobicContact CD1-CG1 3.81Å | ||
| 1713 | Q | 75.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 28 Ų | 28 | 34% | 0.341 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -73.1 | -47.8 | -175 | -67.7 | -178 | -19.4 | 0 | 0 | 112.2 | M1570 Y1664 | M1570-Q1713 HydrophobicContact CE-CB 4.43Å; M1570-Q1713 WeakPolarHBondContact CE-O 3.29Å; Y1664-Q1713 HydrophobicContact CE1-CG 4.28Å |
| 1714 | F | 78.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 28.5 Ų | 28.5 | 4% | 0.044 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -106.6 | 1.4 | -172 | -46.8 | -80.2 | 0 | 0 | 0 | 114.8 | M1499 R1511 F1536 K1567 P1568 M1570 | M1499-F1714 HydrophobicContact CE-CB 3.62Å; M1499-F1714 HydrophobicContact CE-CD1 4.18Å; M1499-F1714 HydrophobicContact CE-CG 3.94Å; M1499-F1714 HydrophobicContact CG-CB 4.38Å; M1499-F1714 HydrophobicContact SD-CB 4.44Å; R1511-F1714 PolarHBondContact NH2-O 3.18Å; F1536-F1714 HydrophobicContact CB-CD1 4.44Å; F1536-F1714 HydrophobicContact CB-CE1 4.42Å; F1536-F1714 AromaticContact CD1-CD1 3.75Å; F1536-F1714 HydrophobicContact CD1-CD1 3.75Å; F1536-F1714 HydrophobicContact CE1-CD1 4.26Å; F1536-F1714 HydrophobicContact CG-CD1 4.16Å; K1567-F1714 HydrophobicContact CD-CE2 4.46Å; K1567-F1714 HydrophobicContact CD-CZ 4.43Å; K1567-F1714 HydrophobicContact CG-CE2 3.94Å; K1567-F1714 HydrophobicContact CG-CZ 3.81Å; P1568-F1714 HydrophobicContact CB-CD1 4.09Å; P1568-F1714 HydrophobicContact CB-CE1 3.65Å; P1568-F1714 HydrophobicContact CB-CZ 4.32Å; P1568-F1714 HydrophobicContact CG-CD1 4.24Å; P1568-F1714 HydrophobicContact CG-CE1 4.05Å; P1568-F1714 HydrophobicContact CG-CZ 4.49Å; P1568-F1714 WeakPolarHBondContact O-CE1 3.46Å; P1568-F1714 WeakPolarHBondContact O-CZ 3.37Å; M1570-F1714 HydrophobicContact CE-CD1 3.26Å; M1570-F1714 HydrophobicContact CE-CE1 3.44Å; M1570-F1714 VanDerWaalsContact CE-CE1 3.44Å; M1570-F1714 HydrophobicContact CE-CG 4.09Å; M1570-F1714 HydrophobicContact CE-CZ 4.4Å; M1570-F1714 HydrophobicContact CG-CE1 4.26Å |
| 1715 | S | 76.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -135.3 | 161.7 | -176.5 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | N1506 L1712 S1717 | N1506-S1715 PolarHBondContact ND2-O 3.45Å; L1712-S1715 WeakPolarHBondContact CB-O 3.2Å; S1715-S1717 PolarHBondContact O-N 3.05Å |
| 1716 | P | 77.3 | Confident | 87.4 | Confident | 58 Ų | 58 | 29.1 Ų | 29.1 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 133.1 | 173.4 | -22.1 | 31 | 0 | 0 | 0 | 111.3 | A1503 A1504 N1506 | A1503-P1716 HydrophobicContact CB-CG 3.8Å; A1504-P1716 WeakPolarHBondContact O-CG 3.3Å; N1506-P1716 WeakPolarHBondContact OD1-CA 3.31Å |
| 1717 | S | 82.9 | Confident | 87.2 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 22% | 0.217 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 138.5 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | N1506 V1709 V1710 S1715 | N1506-S1717 PolarHBondContact OD1-N 3Å; N1506-S1717 PolarHBondContact OD1-OG 3.09Å; N1506-S1717 VanDerWaalsContact OD1-OG 3.04Å; V1709-S1717 VanDerWaalsContact CG1-CB 3.47Å; V1710-S1717 CarbonylContact O-C 3.57Å; V1710-S1717 VanDerWaalsContact O-CA 3.27Å; V1710-S1717 WeakPolarHBondContact O-CA 3.28Å; V1710-S1717 VanDerWaalsContact O-CB 3.26Å; V1710-S1717 WeakPolarHBondContact O-CB 3.31Å; S1715-S1717 PolarHBondContact O-N 3.05Å |
| 1718 | I | 84.2 | Confident | 87 | Confident | 49 Ų | 49 | 31 Ų | 31 | 25% | 0.251 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.6 | -172.4 | -62.1 | 177.7 | 0 | 0 | 0 | 110.1 | V1709 V1710 L1712 V1720 L1751 | V1709-I1718 CarbonylContact C-O 3.51Å; V1709-I1718 WeakPolarHBondContact CA-O 3.3Å; V1710-I1718 PolarHBondContact N-O 2.84Å; V1710-I1718 PolarHBondContact O-N 2.66Å; L1712-I1718 HydrophobicContact CD1-CD1 3.75Å; L1712-I1718 HydrophobicContact CD1-CG1 3.81Å; I1718-V1720 HydrophobicContact CG2-CG1 4.13Å; I1718-V1720 PolarHBondContact O-N 3.23Å; I1718-L1751 HydrophobicContact CG2-CD1 3.58Å |
| 1719 | I | 87.5 | Confident | 86.9 | Confident | 70 Ų | 70 | 33.9 Ų | 33.9 | 36% | 0.359 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 112.7 | 169.5 | -52.3 | 179.1 | 0 | 0 | 0 | 108.2 | V1709 E1722 | V1709-I1719 HydrophobicContact CG2-CG1 4.3Å; I1719-E1722 HydrophobicContact CG2-CB 4.44Å |
| 1720 | V | 90 | Very high | 87 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -16.9 | -179.1 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | L1655 P1656 I1657 F1708 V1710 I1718 L1751 | L1655-V1720 HydrophobicContact CD1-CB 4.33Å; L1655-V1720 HydrophobicContact CD1-CG2 3.93Å; L1655-V1720 HydrophobicContact CD2-CG2 3.74Å; L1655-V1720 HydrophobicContact CG-CB 4.15Å; L1655-V1720 HydrophobicContact CG-CG2 3.7Å; P1656-V1720 VanDerWaalsContact CD-O 3.23Å; P1656-V1720 WeakPolarHBondContact CD-O 3.45Å; P1656-V1720 WeakPolarHBondContact CG-O 3.43Å; I1657-V1720 HydrophobicContact CG1-CG1 4.45Å; F1708-V1720 HydrophobicContact CB-CG2 3.94Å; F1708-V1720 WeakPolarHBondContact O-CG2 3.2Å; F1708-V1720 PolarHBondContact O-N 3Å; V1710-V1720 HydrophobicContact CG2-CG1 3.68Å; V1710-V1720 HydrophobicContact CG2-CG2 4.13Å; I1718-V1720 HydrophobicContact CG2-CG1 4.13Å; I1718-V1720 PolarHBondContact O-N 3.23Å; V1720-L1751 HydrophobicContact CG1-CD1 3.97Å |
| 1721 | G | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 141.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1708 T1748 | F1708-G1721 PolarHBondContact N-O 2.77Å; F1708-G1721 PolarHBondContact O-N 3.43Å; G1721-T1748 CarbonylContact C-O 3.58Å; G1721-T1748 WeakPolarHBondContact CA-O 3.19Å |
| 1722 | E | 93.8 | Very high | 87.2 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.6 | -179.1 | 60.9 | 178.4 | 162.8 | 0 | 0 | 112.5 | V1706 Q1707 I1719 L1747 T1748 | V1706-E1722 CarbonylContact O-C 3.54Å; V1706-E1722 WeakPolarHBondContact O-CA 3.29Å; Q1707-E1722 HydrophobicContact CB-CB 4.37Å; Q1707-E1722 HydrophobicContact CG-CB 3.81Å; Q1707-E1722 PolarHBondContact NE2-OE2 2.87Å; I1719-E1722 HydrophobicContact CG2-CB 4.44Å; E1722-L1747 CarbonylContact O-C 3.56Å; E1722-L1747 WeakPolarHBondContact O-CA 3.26Å; E1722-T1748 WeakPolarHBondContact CG-O 3.31Å; E1722-T1748 PolarHBondContact N-O 3.26Å; E1722-T1748 PolarHBondContact O-N 3.46Å; E1722-T1748 PolarHBondContact O-OG1 2.97Å |
| 1723 | T | 94.5 | Very high | 87.5 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 167.2 | 172.4 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | V1706 L1745 S1746 L1747 V1762 | V1706-T1723 HydrophobicContact CB-CG2 4Å; V1706-T1723 PolarHBondContact N-O 3.48Å; V1706-T1723 PolarHBondContact O-N 3.5Å; T1723-L1745 HydrophobicContact CG2-CB 3.94Å; T1723-L1745 HydrophobicContact CG2-CD1 3.81Å; T1723-S1746 VanDerWaalsContact CB-O 3.24Å; T1723-S1746 WeakPolarHBondContact CB-O 3.44Å; T1723-S1746 PolarHBondContact OG1-O 3.29Å; T1723-L1747 HydrophobicContact CG2-CD2 4.03Å; T1723-V1762 HydrophobicContact CG2-CG1 3.69Å |
| 1724 | S | 94.1 | Very high | 88 | Confident | 71 Ų | 71 | 40.8 Ų | 40.8 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 158.5 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | L1704 | L1704-S1724 CarbonylContact O-C 3.56Å; L1704-S1724 WeakPolarHBondContact O-CA 3.31Å; L1704-S1724 WeakPolarHBondContact O-CB 3.46Å |
| 1725 | I | 93.7 | Very high | 88.1 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 136.5 | 177.2 | -174.3 | 170.4 | 0 | 0 | 0 | 110.3 | L1704 D1729 M1730 L1733 L1745 I1764 | L1704-I1725 HydrophobicContact CB-CG2 4.08Å; L1704-I1725 HydrophobicContact CD2-CG2 4.16Å; L1704-I1725 HydrophobicContact CG-CG2 4.47Å; L1704-I1725 PolarHBondContact N-O 2.83Å; L1704-I1725 PolarHBondContact O-N 3.23Å; I1725-D1729 HydrophobicContact CG1-CB 4.22Å; I1725-M1730 HydrophobicContact CD1-CG 3.74Å; I1725-M1730 HydrophobicContact CG1-CG 3.82Å; I1725-M1730 HydrophobicContact CG2-CE 4.12Å; I1725-M1730 HydrophobicContact CG2-CG 4.01Å; I1725-M1730 HydrophobicContact CG2-SD 3.72Å; I1725-L1733 HydrophobicContact CD1-CD1 3.91Å; I1725-L1745 HydrophobicContact CB-CD1 4.33Å; I1725-L1745 HydrophobicContact CD1-CD2 4.39Å; I1725-L1745 HydrophobicContact CG2-CD1 4.2Å; I1725-I1764 HydrophobicContact CG2-CD1 4.24Å |
| 1726 | S | 92.9 | Very high | 88 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 146.1 | 178.6 | 84.9 | 0 | 0 | 0 | 0 | 111.1 | E1728 D1729 M1730 | S1726-E1728 PolarHBondContact O-N 3.42Å; S1726-D1729 PolarHBondContact O-N 3.27Å; S1726-D1729 VanDerWaalsContact O-N 3.16Å; S1726-D1729 WeakPolarHBondContact OG-CB 3.38Å; S1726-D1729 PolarHBondContact OG-N 3.13Å; S1726-D1729 PolarHBondContact OG-OD2 3.14Å; S1726-M1730 VanDerWaalsContact O-CG 3.3Å; S1726-M1730 WeakPolarHBondContact O-CG 3.13Å; S1726-M1730 PolarHBondContact O-N 3.5Å |
| 1727 | I | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -31.3 | 176.1 | -70.3 | -176.7 | 0 | 0 | 0 | 111.2 | V1672 F1697 C1702 M1730 I1731 V1768 | V1672-I1727 HydrophobicContact CG1-CD1 3.94Å; F1697-I1727 HydrophobicContact CB-CD1 3.76Å; F1697-I1727 HydrophobicContact CD1-CD1 3.63Å; F1697-I1727 HydrophobicContact CD2-CD1 3.79Å; F1697-I1727 HydrophobicContact CD2-CG2 4.2Å; F1697-I1727 HydrophobicContact CE1-CD1 4.07Å; F1697-I1727 HydrophobicContact CE1-CG2 4.33Å; F1697-I1727 HydrophobicContact CE2-CD1 4.23Å; F1697-I1727 HydrophobicContact CE2-CG2 3.68Å; F1697-I1727 HydrophobicContact CG-CD1 3.47Å; F1697-I1727 VanDerWaalsContact CG-CD1 3.47Å; F1697-I1727 HydrophobicContact CZ-CD1 4.37Å; F1697-I1727 HydrophobicContact CZ-CG2 3.77Å; C1702-I1727 HydrophobicContact CB-CD1 3.9Å; C1702-I1727 WeakPolarHBondContact O-CB 3.25Å; C1702-I1727 WeakPolarHBondContact O-CG1 3.41Å; C1702-I1727 PolarHBondContact O-N 3.26Å; I1727-M1730 PolarHBondContact O-N 2.99Å; I1727-I1731 HydrophobicContact CG2-CD1 3.95Å; I1727-I1731 WeakPolarHBondContact O-CG1 3.23Å; I1727-I1731 PolarHBondContact O-N 3.45Å; I1727-V1768 HydrophobicContact CG2-CG1 3.97Å |
| 1728 | E | 88.9 | Confident | 87.3 | Confident | 81 Ų | 81 | 53 Ų | 53 | 38% | 0.379 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 171.8 | -162.8 | -177 | 157.7 | 0 | 0 | 112.1 | L1700 S1726 M1730 I1731 R1732 | L1700-E1728 PolarHBondContact O-N 3.45Å; S1726-E1728 PolarHBondContact O-N 3.42Å; E1728-M1730 VanDerWaalsContact C-N 3.33Å; E1728-M1730 PolarHBondContact O-N 3.48Å; E1728-I1731 PolarHBondContact O-N 2.97Å; E1728-R1732 VanDerWaalsContact CD-NH2 3.31Å; E1728-R1732 WeakPolarHBondContact O-CG 3.14Å; E1728-R1732 PolarHBondContact O-N 3.35Å; E1728-R1732 IonicContact OE1-CZ 3.52Å; E1728-R1732 IonicContact OE1-NE 2.75Å; E1728-R1732 PolarHBondContact OE1-NE 3.19Å; E1728-R1732 IonicContact OE1-NH2 3.42Å; E1728-R1732 PolarHBondContact OE1-NH2 2.89Å; E1728-R1732 IonicContact OE2-NH2 3.42Å |
| 1729 | D | 90.1 | Very high | 87 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 176.5 | -66.8 | -54.4 | 0 | 0 | 0 | 112.8 | I1725 S1726 I1731 R1732 L1733 | I1725-D1729 HydrophobicContact CG1-CB 4.22Å; S1726-D1729 PolarHBondContact O-N 3.27Å; S1726-D1729 VanDerWaalsContact O-N 3.16Å; S1726-D1729 WeakPolarHBondContact OG-CB 3.38Å; S1726-D1729 PolarHBondContact OG-N 3.13Å; S1726-D1729 PolarHBondContact OG-OD2 3.14Å; D1729-I1731 VanDerWaalsContact C-N 3.33Å; D1729-R1732 PolarHBondContact O-N 3.11Å; D1729-R1732 IonicContact OD1-CZ 3.6Å; D1729-R1732 IonicContact OD1-NE 3.27Å; D1729-R1732 IonicContact OD1-NH1 3.75Å; D1729-R1732 PolarHBondContact OD1-NH1 3.46Å; D1729-L1733 WeakPolarHBondContact O-CB 3.47Å; D1729-L1733 WeakPolarHBondContact O-CD1 3.49Å; D1729-L1733 WeakPolarHBondContact O-CG 3.49Å; D1729-L1733 PolarHBondContact O-N 2.97Å |
| 1730 | M | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 172.3 | -63.7 | 177.2 | 92.8 | 0 | 0 | 111.5 | I1645 L1704 I1725 S1726 I1727 E1728 L1733 A1734 I1764 F1766 V1768 | I1645-M1730 HydrophobicContact CD1-CE 3.61Å; I1645-M1730 HydrophobicContact CD1-SD 3.59Å; I1645-M1730 VanDerWaalsContact CD1-SD 3.59Å; L1704-M1730 HydrophobicContact CB-SD 4.17Å; L1704-M1730 HydrophobicContact CD2-CE 3.7Å; L1704-M1730 HydrophobicContact CD2-SD 4.18Å; I1725-M1730 HydrophobicContact CD1-CG 3.74Å; I1725-M1730 HydrophobicContact CG1-CG 3.82Å; I1725-M1730 HydrophobicContact CG2-CE 4.12Å; I1725-M1730 HydrophobicContact CG2-CG 4.01Å; I1725-M1730 HydrophobicContact CG2-SD 3.72Å; S1726-M1730 VanDerWaalsContact O-CG 3.3Å; S1726-M1730 WeakPolarHBondContact O-CG 3.13Å; S1726-M1730 PolarHBondContact O-N 3.5Å; I1727-M1730 PolarHBondContact O-N 2.99Å; E1728-M1730 VanDerWaalsContact C-N 3.33Å; E1728-M1730 PolarHBondContact O-N 3.48Å; M1730-L1733 PolarHBondContact O-N 2.88Å; M1730-A1734 WeakPolarHBondContact O-CB 3.49Å; M1730-A1734 PolarHBondContact O-N 2.99Å; M1730-I1764 HydrophobicContact CE-CD1 4.43Å; M1730-F1766 HydrophobicContact CB-CD2 4.11Å; M1730-F1766 HydrophobicContact CB-CE2 3.62Å; M1730-F1766 HydrophobicContact CB-CZ 3.98Å; M1730-F1766 HydrophobicContact CE-CB 3.52Å; M1730-F1766 HydrophobicContact CE-CD1 3.36Å; M1730-F1766 HydrophobicContact CE-CD2 3.61Å; M1730-F1766 HydrophobicContact CE-CE1 3.84Å; M1730-F1766 HydrophobicContact CE-CE2 4.08Å; M1730-F1766 HydrophobicContact CE-CG 3.21Å; M1730-F1766 HydrophobicContact CE-CZ 4.18Å; M1730-F1766 HydrophobicContact CG-CD2 4.43Å; M1730-F1766 HydrophobicContact CG-CE1 4.37Å; M1730-F1766 HydrophobicContact CG-CE2 4.07Å; M1730-F1766 HydrophobicContact CG-CZ 4.02Å; M1730-F1766 WeakPolarHBondContact O-CE2 3.41Å; M1730-V1768 HydrophobicContact CB-CG2 3.88Å |
| 1731 | I | 88.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 174.8 | -68.6 | 161.8 | 0 | 0 | 0 | 110.9 | L1700 I1727 E1728 D1729 L1733 A1734 G1735 V1768 V1770 | L1700-I1731 HydrophobicContact CD2-CD1 3.49Å; L1700-I1731 VanDerWaalsContact CD2-CD1 3.49Å; I1727-I1731 HydrophobicContact CG2-CD1 3.95Å; I1727-I1731 WeakPolarHBondContact O-CG1 3.23Å; I1727-I1731 PolarHBondContact O-N 3.45Å; E1728-I1731 PolarHBondContact O-N 2.97Å; D1729-I1731 VanDerWaalsContact C-N 3.33Å; I1731-L1733 VanDerWaalsContact C-N 3.26Å; I1731-L1733 PolarHBondContact O-N 3.21Å; I1731-A1734 PolarHBondContact O-N 3.22Å; I1731-A1734 VanDerWaalsContact O-N 3.11Å; I1731-G1735 PolarHBondContact O-N 3.38Å; I1731-G1735 VanDerWaalsContact O-N 3.16Å; I1731-V1768 HydrophobicContact CD1-CG1 3.91Å; I1731-V1768 HydrophobicContact CG1-CB 4.04Å; I1731-V1768 HydrophobicContact CG1-CG1 3.69Å; I1731-V1770 HydrophobicContact CD1-CG2 3.75Å |
| 1732 | R | 87.7 | Confident | 87.2 | Confident | 156 Ų | 156 | 61.2 Ų | 61.2 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.3 | -40.2 | 174 | -67.3 | 169.6 | -172.3 | 173.6 | -7.6 | 111.7 | E1728 D1729 | E1728-R1732 VanDerWaalsContact CD-NH2 3.31Å; E1728-R1732 WeakPolarHBondContact O-CG 3.14Å; E1728-R1732 PolarHBondContact O-N 3.35Å; E1728-R1732 IonicContact OE1-CZ 3.52Å; E1728-R1732 IonicContact OE1-NE 2.75Å; E1728-R1732 PolarHBondContact OE1-NE 3.19Å; E1728-R1732 IonicContact OE1-NH2 3.42Å; E1728-R1732 PolarHBondContact OE1-NH2 2.89Å; E1728-R1732 IonicContact OE2-NH2 3.42Å; D1729-R1732 PolarHBondContact O-N 3.11Å; D1729-R1732 IonicContact OD1-CZ 3.6Å; D1729-R1732 IonicContact OD1-NE 3.27Å; D1729-R1732 IonicContact OD1-NH1 3.75Å; D1729-R1732 PolarHBondContact OD1-NH1 3.46Å |
| 1733 | L | 88.8 | Confident | 87.1 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.4 | -26.1 | 177.3 | -72.6 | 167.6 | 0 | 0 | 0 | 114 | I1725 D1729 M1730 I1731 V1741 K1743 F1766 | I1725-L1733 HydrophobicContact CD1-CD1 3.91Å; D1729-L1733 WeakPolarHBondContact O-CB 3.47Å; D1729-L1733 WeakPolarHBondContact O-CD1 3.49Å; D1729-L1733 WeakPolarHBondContact O-CG 3.49Å; D1729-L1733 PolarHBondContact O-N 2.97Å; M1730-L1733 PolarHBondContact O-N 2.88Å; I1731-L1733 VanDerWaalsContact C-N 3.26Å; I1731-L1733 PolarHBondContact O-N 3.21Å; L1733-V1741 HydrophobicContact CB-CG1 4.41Å; L1733-V1741 WeakPolarHBondContact O-CG2 3.36Å; L1733-K1743 HydrophobicContact CD1-CD 3.97Å; L1733-K1743 HydrophobicContact CD1-CG 4.27Å; L1733-F1766 HydrophobicContact CB-CZ 4.17Å; L1733-F1766 HydrophobicContact CD1-CZ 4.22Å |
| 1734 | A | 85.7 | Confident | 87 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -84.1 | -14.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1730 I1731 V1741 | M1730-A1734 WeakPolarHBondContact O-CB 3.49Å; M1730-A1734 PolarHBondContact O-N 2.99Å; I1731-A1734 PolarHBondContact O-N 3.22Å; I1731-A1734 VanDerWaalsContact O-N 3.11Å; A1734-V1741 HydrophobicContact CB-CG2 3.66Å |
| 1735 | G | 80.1 | Confident | 87 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1731 D1737 R1738 | I1731-G1735 PolarHBondContact O-N 3.38Å; I1731-G1735 VanDerWaalsContact O-N 3.16Å; G1735-D1737 VanDerWaalsContact C-N 3.28Å; G1735-D1737 PolarHBondContact O-N 2.93Å; G1735-R1738 PolarHBondContact O-N 3.08Å |
| 1736 | P | 74.5 | Confident | 86.9 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 81% | 0.805 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.8 | -177 | 25.8 | -34.1 | 0 | 0 | 0 | 112.8 | R1738 | P1736-R1738 VanDerWaalsContact C-N 3.27Å; P1736-R1738 PolarHBondContact O-N 3.32Å |
| 1737 | D | 71.2 | Confident | 86.9 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.3 | -174.7 | -51.7 | -31.7 | 0 | 0 | 0 | 113.7 | G1735 N1739 | G1735-D1737 VanDerWaalsContact C-N 3.28Å; G1735-D1737 PolarHBondContact O-N 2.93Å; D1737-N1739 VanDerWaalsContact CB-ND2 3.25Å; D1737-N1739 WeakPolarHBondContact CB-ND2 3.34Å; D1737-N1739 PolarHBondContact O-N 3.49Å; D1737-N1739 VanDerWaalsContact O-N 3.08Å |
| 1738 | R | 73.4 | Confident | 86.8 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 25.9 | -175.6 | -58.5 | -178.4 | 178.7 | -179.3 | 0.9 | 114.6 | G1735 P1736 V1770 | G1735-R1738 PolarHBondContact O-N 3.08Å; P1736-R1738 VanDerWaalsContact C-N 3.27Å; P1736-R1738 PolarHBondContact O-N 3.32Å; R1738-V1770 PolarHBondContact NH1-O 3.06Å |
| 1739 | N | 79 | Confident | 86.4 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 153.4 | -179.2 | -84.1 | -48.5 | 0 | 0 | 0 | 112.2 | D1737 V1741 | D1737-N1739 VanDerWaalsContact CB-ND2 3.25Å; D1737-N1739 WeakPolarHBondContact CB-ND2 3.34Å; D1737-N1739 PolarHBondContact O-N 3.49Å; D1737-N1739 VanDerWaalsContact O-N 3.08Å; N1739-V1741 PolarHBondContact O-N 2.77Å |
| 1740 | P | 88.1 | Confident | 85.9 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 117.6 | 178.1 | -22.7 | 33.9 | 0 | 0 | 0 | 112.7 | F1766 | P1740-F1766 CarbonylContact C-O 3.52Å; P1740-F1766 VanDerWaalsContact CA-O 3.25Å; P1740-F1766 WeakPolarHBondContact CA-O 3.49Å |
| 1741 | V | 90.7 | Very high | 85.4 | Confident | 27 Ų | 27 | 72 Ų | 72 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.2 | -178.1 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | L1733 A1734 N1739 K1765 F1766 | L1733-V1741 HydrophobicContact CB-CG1 4.41Å; L1733-V1741 WeakPolarHBondContact O-CG2 3.36Å; A1734-V1741 HydrophobicContact CB-CG2 3.66Å; N1739-V1741 PolarHBondContact O-N 2.77Å; V1741-K1765 CarbonylContact O-C 3.52Å; V1741-K1765 WeakPolarHBondContact O-CA 3.24Å; V1741-F1766 HydrophobicContact CB-CD2 4.16Å; V1741-F1766 HydrophobicContact CB-CE1 4.14Å; V1741-F1766 HydrophobicContact CB-CE2 3.66Å; V1741-F1766 HydrophobicContact CB-CZ 3.66Å; V1741-F1766 HydrophobicContact CG1-CE1 4.25Å; V1741-F1766 HydrophobicContact CG1-CE2 4.34Å; V1741-F1766 HydrophobicContact CG1-CZ 3.86Å; V1741-F1766 HydrophobicContact CG2-CD2 4.46Å; V1741-F1766 HydrophobicContact CG2-CE2 3.8Å; V1741-F1766 HydrophobicContact CG2-CZ 4.14Å; V1741-F1766 PolarHBondContact N-O 3.16Å; V1741-F1766 PolarHBondContact O-N 3.41Å |
| 1742 | V | 92.2 | Very high | 85.1 | Confident | 88 Ų | 88 | 71 Ų | 71 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127 | 163 | -171.8 | 0 | 0 | 0 | 0 | 109 | I1764 K1765 | V1742-I1764 CarbonylContact C-O 3.58Å; V1742-I1764 WeakPolarHBondContact CA-O 3.47Å; V1742-K1765 HydrophobicContact CG2-CB 4.11Å; V1742-K1765 HydrophobicContact CG2-CD 4.22Å; V1742-K1765 HydrophobicContact CG2-CG 4.14Å |
| 1743 | K | 92.4 | Very high | 84.7 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 33% | 0.326 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.2 | -178.8 | -174.3 | 66.1 | 173.9 | -171.6 | 0 | 110.4 | L1733 L1745 I1764 F1766 | L1733-K1743 HydrophobicContact CD1-CD 3.97Å; L1733-K1743 HydrophobicContact CD1-CG 4.27Å; K1743-L1745 HydrophobicContact CG-CD2 3.9Å; K1743-L1745 HydrophobicContact CG-CG 4.4Å; K1743-I1764 HydrophobicContact CB-CG1 4.37Å; K1743-I1764 PolarHBondContact N-O 3.41Å; K1743-I1764 PolarHBondContact O-N 2.98Å; K1743-F1766 HydrophobicContact CB-CE1 3.77Å |
| 1744 | Q | 93.5 | Very high | 84 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132.3 | 164.4 | -177.2 | 179.2 | -60.6 | 0 | 0 | 109.1 | I1761 L1763 | Q1744-I1761 VanDerWaalsContact CD-CD1 3.47Å; Q1744-I1761 HydrophobicContact CG-CB 4.11Å; Q1744-I1761 HydrophobicContact CG-CD1 3.96Å; Q1744-I1761 HydrophobicContact CG-CG2 4.29Å; Q1744-L1763 HydrophobicContact CB-CD1 4.31Å; Q1744-L1763 HydrophobicContact CB-CG 4.36Å; Q1744-L1763 HydrophobicContact CG-CD1 4.07Å |
| 1745 | L | 92.8 | Very high | 83.4 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.7 | 171.2 | -59.8 | 178.7 | 0 | 0 | 0 | 109.1 | T1723 I1725 K1743 I1761 V1762 I1764 | T1723-L1745 HydrophobicContact CG2-CB 3.94Å; T1723-L1745 HydrophobicContact CG2-CD1 3.81Å; I1725-L1745 HydrophobicContact CB-CD1 4.33Å; I1725-L1745 HydrophobicContact CD1-CD2 4.39Å; I1725-L1745 HydrophobicContact CG2-CD1 4.2Å; K1743-L1745 HydrophobicContact CG-CD2 3.9Å; K1743-L1745 HydrophobicContact CG-CG 4.4Å; L1745-I1761 WeakPolarHBondContact O-CA 3.41Å; L1745-V1762 HydrophobicContact CB-CG1 4.05Å; L1745-V1762 PolarHBondContact N-O 2.67Å; L1745-V1762 PolarHBondContact O-N 3.4Å; L1745-I1764 HydrophobicContact CD1-CD1 3.67Å; L1745-I1764 HydrophobicContact CD1-CG1 4.19Å; L1745-I1764 HydrophobicContact CG-CD1 4.42Å; L1745-I1764 HydrophobicContact CG-CG1 4.5Å |
| 1746 | S | 92.2 | Very high | 83.2 | Confident | 64 Ų | 64 | 79.2 Ų | 79.2 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 145.9 | 169.4 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | T1723 | T1723-S1746 VanDerWaalsContact CB-O 3.24Å; T1723-S1746 WeakPolarHBondContact CB-O 3.44Å; T1723-S1746 PolarHBondContact OG1-O 3.29Å |
| 1747 | L | 91.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | trans | -93 | 140.9 | 173.3 | -63.3 | 173.6 | 0 | 0 | 0 | 110.1 | V1652 L1655 F1708 E1722 T1723 I1752 A1760 V1762 | V1652-L1747 HydrophobicContact CG2-CD1 3.86Å; L1655-L1747 HydrophobicContact CD1-CD1 3.82Å; F1708-L1747 HydrophobicContact CD2-CD1 4.33Å; F1708-L1747 HydrophobicContact CD2-CD2 4.04Å; F1708-L1747 HydrophobicContact CE2-CD1 4.45Å; F1708-L1747 HydrophobicContact CE2-CD2 4.07Å; E1722-L1747 CarbonylContact O-C 3.56Å; E1722-L1747 WeakPolarHBondContact O-CA 3.26Å; T1723-L1747 HydrophobicContact CG2-CD2 4.03Å; L1747-I1752 HydrophobicContact CB-CD1 3.48Å; L1747-I1752 VanDerWaalsContact CB-CD1 3.48Å; L1747-I1752 WeakPolarHBondContact O-CD1 3.48Å; L1747-A1760 HydrophobicContact CB-CB 4.25Å; L1747-A1760 PolarHBondContact N-O 2.82Å; L1747-V1762 HydrophobicContact CD2-CB 4.23Å; L1747-V1762 HydrophobicContact CD2-CG1 3.86Å; L1747-V1762 HydrophobicContact CG-CG1 4.47Å | ||
| 1748 | T | 89.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 165.5 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | G1721 E1722 | G1721-T1748 CarbonylContact C-O 3.58Å; G1721-T1748 WeakPolarHBondContact CA-O 3.19Å; E1722-T1748 WeakPolarHBondContact CG-O 3.31Å; E1722-T1748 PolarHBondContact N-O 3.26Å; E1722-T1748 PolarHBondContact O-N 3.46Å; E1722-T1748 PolarHBondContact O-OG1 2.97Å |
| 1749 | G | 81.3 | Confident | 83.9 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 26% | 0.258 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 143.9 | 163.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1751 I1752 | G1749-L1751 PolarHBondContact O-N 2.96Å; G1749-I1752 PolarHBondContact O-N 2.72Å |
| 1750 | H | 79.4 | Confident | 84.4 | Confident | 122 Ų | 122 | 67.7 Ų | 67.7 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7.3 | -169.1 | -151.6 | -68.7 | 0 | 0 | 0 | 115.1 | Q68 | Q68-H1750 VanDerWaalsContact CD-CG 3.47Å; Q68-H1750 HydrophobicContact CG-CB 4.47Å; Q68-H1750 PolarHBondContact OE1-ND1 3.05Å |
| 1751 | L | 80.4 | Confident | 84.7 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -5.7 | 173.9 | -65.3 | 176.7 | 0 | 0 | 0 | 113.3 | P1656 P1658 I1718 V1720 G1749 | P1656-L1751 HydrophobicContact CB-CB 4.19Å; P1656-L1751 WeakPolarHBondContact CB-O 3.4Å; P1656-L1751 HydrophobicContact CG-CB 3.74Å; P1656-L1751 WeakPolarHBondContact CG-O 3.49Å; P1658-L1751 HydrophobicContact CG-CD1 4.23Å; I1718-L1751 HydrophobicContact CG2-CD1 3.58Å; V1720-L1751 HydrophobicContact CG1-CD1 3.97Å; G1749-L1751 PolarHBondContact O-N 2.96Å |
| 1752 | I | 82.8 | Confident | 84.8 | Confident | 22 Ų | 22 | 63 Ų | 63 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | trans | -98 | 106.3 | 177.7 | -62 | 176.3 | 0 | 0 | 0 | 108.1 | P1656 L1747 G1749 M1756 A1757 A1760 | P1656-I1752 HydrophobicContact CG-CG1 3.69Å; L1747-I1752 HydrophobicContact CB-CD1 3.48Å; L1747-I1752 VanDerWaalsContact CB-CD1 3.48Å; L1747-I1752 WeakPolarHBondContact O-CD1 3.48Å; G1749-I1752 PolarHBondContact O-N 2.72Å; I1752-M1756 HydrophobicContact CG2-CB 4.12Å; I1752-A1757 HydrophobicContact CG2-CB 4.07Å; I1752-A1760 HydrophobicContact CD1-CB 3.92Å; I1752-A1760 HydrophobicContact CG1-CB 4.35Å; I1752-A1760 HydrophobicContact CG2-CB 4.05Å | ||
| 1753 | S | 78.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | trans | -71.3 | 160.4 | 173.2 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | H1755 M1756 A1757 | S1753-H1755 PolarHBondContact O-N 3.13Å; S1753-M1756 CarbonylContact O-C 3.43Å; S1753-M1756 WeakPolarHBondContact O-CA 3.47Å; S1753-M1756 PolarHBondContact O-N 2.91Å; S1753-M1756 PolarHBondContact OG-N 2.81Å; S1753-A1757 PolarHBondContact O-N 3.48Å | ||
| 1754 | E | 73.6 | Confident | 85 | Confident | 177 Ų | 177 | 57 Ų | 57 | 83% | 0.827 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.1 | -39.8 | 177.7 | -61.7 | -177.5 | 158.4 | 0 | 0 | 112.4 | M1756 A1757 | E1754-M1756 VanDerWaalsContact C-N 3.29Å; E1754-M1756 PolarHBondContact O-N 3.3Å; E1754-A1757 PolarHBondContact O-N 3.15Å |
| 1755 | H | 74.2 | Confident | 85 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.8 | -29.6 | 174.7 | -58.4 | -44.1 | 0 | 0 | 0 | 113.4 | S1753 | S1753-H1755 PolarHBondContact O-N 3.13Å |
| 1756 | M | 74.7 | Confident | 85.1 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -85.6 | -27.5 | 175.5 | -73.3 | -171.2 | 69 | 0 | 0 | 113.2 | N1654 P1656 I1752 S1753 E1754 A1758 T1759 A1760 | N1654-M1756 HydrophobicContact CB-CE 4.32Å; N1654-M1756 VanDerWaalsContact O-CE 3.26Å; N1654-M1756 WeakPolarHBondContact O-CE 3.47Å; P1656-M1756 HydrophobicContact CB-CE 4.11Å; I1752-M1756 HydrophobicContact CG2-CB 4.12Å; S1753-M1756 CarbonylContact O-C 3.43Å; S1753-M1756 WeakPolarHBondContact O-CA 3.47Å; S1753-M1756 PolarHBondContact O-N 2.91Å; S1753-M1756 PolarHBondContact OG-N 2.81Å; E1754-M1756 VanDerWaalsContact C-N 3.29Å; E1754-M1756 PolarHBondContact O-N 3.3Å; M1756-A1758 PolarHBondContact O-N 3.44Å; M1756-A1758 VanDerWaalsContact O-N 3.11Å; M1756-T1759 CarbonylContact O-C 3.57Å; M1756-T1759 WeakPolarHBondContact O-CA 3.46Å; M1756-T1759 PolarHBondContact O-N 3.13Å; M1756-T1759 PolarHBondContact O-OG1 3.49Å; M1756-A1760 PolarHBondContact O-N 3.08Å |
| 1757 | A | 74.4 | Confident | 85 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.4 | -28.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1752 S1753 E1754 T1759 | I1752-A1757 HydrophobicContact CG2-CB 4.07Å; S1753-A1757 PolarHBondContact O-N 3.48Å; E1754-A1757 PolarHBondContact O-N 3.15Å; A1757-T1759 VanDerWaalsContact C-N 3.26Å; A1757-T1759 PolarHBondContact O-N 2.83Å |
| 1758 | A | 75.4 | Confident | 85 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 72% | 0.719 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1756 | M1756-A1758 PolarHBondContact O-N 3.44Å; M1756-A1758 VanDerWaalsContact O-N 3.11Å |
| 1759 | T | 85 | Confident | 84.9 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -21.7 | -171.3 | 70.4 | 0 | 0 | 0 | 0 | 114 | N1654 M1756 A1757 I1761 | N1654-T1759 PolarHBondContact ND2-O 3.4Å; M1756-T1759 CarbonylContact O-C 3.57Å; M1756-T1759 WeakPolarHBondContact O-CA 3.46Å; M1756-T1759 PolarHBondContact O-N 3.13Å; M1756-T1759 PolarHBondContact O-OG1 3.49Å; A1757-T1759 VanDerWaalsContact C-N 3.26Å; A1757-T1759 PolarHBondContact O-N 2.83Å; T1759-I1761 PolarHBondContact O-N 2.91Å |
| 1760 | A | 90.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -77.6 | 100.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | R1653 L1747 I1752 M1756 | R1653-A1760 WeakPolarHBondContact O-CA 3.12Å; L1747-A1760 HydrophobicContact CB-CB 4.25Å; L1747-A1760 PolarHBondContact N-O 2.82Å; I1752-A1760 HydrophobicContact CD1-CB 3.92Å; I1752-A1760 HydrophobicContact CG1-CB 4.35Å; I1752-A1760 HydrophobicContact CG2-CB 4.05Å; M1756-A1760 PolarHBondContact O-N 3.08Å | ||
| 1761 | I | 92.5 | Very high | 85.3 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.8 | -170.9 | 60.6 | 167.9 | 0 | 0 | 0 | 111.9 | V1652 R1653 Q1744 L1745 T1759 L1763 | V1652-I1761 CarbonylContact C-O 3.51Å; V1652-I1761 WeakPolarHBondContact CA-O 3.16Å; R1653-I1761 HydrophobicContact CB-CG1 3.97Å; R1653-I1761 HydrophobicContact CG-CG1 4.32Å; R1653-I1761 PolarHBondContact N-O 2.98Å; R1653-I1761 PolarHBondContact O-N 3.45Å; Q1744-I1761 VanDerWaalsContact CD-CD1 3.47Å; Q1744-I1761 HydrophobicContact CG-CB 4.11Å; Q1744-I1761 HydrophobicContact CG-CD1 3.96Å; Q1744-I1761 HydrophobicContact CG-CG2 4.29Å; L1745-I1761 WeakPolarHBondContact O-CA 3.41Å; T1759-I1761 PolarHBondContact O-N 2.91Å; I1761-L1763 HydrophobicContact CD1-CD1 4.02Å |
| 1762 | V | 94 | Very high | 84.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.1 | 167.8 | 62.8 | 0 | 0 | 0 | 0 | 109.4 | V1649 F1708 T1723 L1745 L1747 I1764 | V1649-V1762 HydrophobicContact CG1-CG2 3.82Å; F1708-V1762 HydrophobicContact CE2-CB 4.03Å; F1708-V1762 HydrophobicContact CE2-CG2 3.88Å; F1708-V1762 HydrophobicContact CZ-CB 4.33Å; F1708-V1762 HydrophobicContact CZ-CG2 3.77Å; T1723-V1762 HydrophobicContact CG2-CG1 3.69Å; L1745-V1762 HydrophobicContact CB-CG1 4.05Å; L1745-V1762 PolarHBondContact N-O 2.67Å; L1745-V1762 PolarHBondContact O-N 3.4Å; L1747-V1762 HydrophobicContact CD2-CB 4.23Å; L1747-V1762 HydrophobicContact CD2-CG1 3.86Å; L1747-V1762 HydrophobicContact CG-CG1 4.47Å; V1762-I1764 HydrophobicContact CG2-CG2 4.15Å |
| 1763 | L | 93.8 | Very high | 82.5 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.2 | 168.4 | -83.3 | 71.1 | 0 | 0 | 0 | 108.2 | Q1650 C1651 Q1744 I1761 | Q1650-L1763 HydrophobicContact CB-CB 4.06Å; Q1650-L1763 WeakPolarHBondContact CB-O 3.44Å; Q1650-L1763 PolarHBondContact N-O 2.84Å; C1651-L1763 PolarHBondContact O-N 3.4Å; Q1744-L1763 HydrophobicContact CB-CD1 4.31Å; Q1744-L1763 HydrophobicContact CB-CG 4.36Å; Q1744-L1763 HydrophobicContact CG-CD1 4.07Å; I1761-L1763 HydrophobicContact CD1-CD1 4.02Å |
| 1764 | I | 94.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.9 | 171.9 | 60.2 | 167.9 | 0 | 0 | 0 | 110 | V1649 L1704 I1725 M1730 V1742 K1743 L1745 V1762 F1766 | V1649-I1764 HydrophobicContact CG2-CG2 4.49Å; L1704-I1764 HydrophobicContact CD2-CD1 4.24Å; I1725-I1764 HydrophobicContact CG2-CD1 4.24Å; M1730-I1764 HydrophobicContact CE-CD1 4.43Å; V1742-I1764 CarbonylContact C-O 3.58Å; V1742-I1764 WeakPolarHBondContact CA-O 3.47Å; K1743-I1764 HydrophobicContact CB-CG1 4.37Å; K1743-I1764 PolarHBondContact N-O 3.41Å; K1743-I1764 PolarHBondContact O-N 2.98Å; L1745-I1764 HydrophobicContact CD1-CD1 3.67Å; L1745-I1764 HydrophobicContact CD1-CG1 4.19Å; L1745-I1764 HydrophobicContact CG-CD1 4.42Å; L1745-I1764 HydrophobicContact CG-CG1 4.5Å; V1762-I1764 HydrophobicContact CG2-CG2 4.15Å; I1764-F1766 HydrophobicContact CD1-CD1 3.95Å; I1764-F1766 HydrophobicContact CD1-CE1 4.36Å; I1764-F1766 HydrophobicContact CG1-CD1 4.17Å |
| 1765 | K | 94.5 | Very high | 83.2 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.6 | 166.1 | 172.2 | 175.2 | 156.3 | -122.8 | 0 | 108.4 | V1647 E1648 Q1650 V1741 V1742 | V1647-K1765 CarbonylContact C-O 3.39Å; V1647-K1765 WeakPolarHBondContact CA-O 3.34Å; E1648-K1765 HydrophobicContact CB-CB 4.26Å; E1648-K1765 PolarHBondContact N-O 3.39Å; E1648-K1765 PolarHBondContact O-N 2.85Å; E1648-K1765 IonicContact OE1-NZ 3.38Å; E1648-K1765 PolarHBondContact OE1-NZ 2.78Å; E1648-K1765 WeakPolarHBondContact OE2-CD 3.49Å; E1648-K1765 IonicContact OE2-NZ 2.66Å; E1648-K1765 PolarHBondContact OE2-NZ 3.35Å; Q1650-K1765 HydrophobicContact CG-CB 3.88Å; V1741-K1765 CarbonylContact O-C 3.52Å; V1741-K1765 WeakPolarHBondContact O-CA 3.24Å; V1742-K1765 HydrophobicContact CG2-CB 4.11Å; V1742-K1765 HydrophobicContact CG2-CD 4.22Å; V1742-K1765 HydrophobicContact CG2-CG 4.14Å |
| 1766 | F | 94 | Very high | 83.7 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.4 | -174.7 | 61.8 | -103.9 | 0 | 0 | 0 | 113.7 | S1646 M1730 L1733 P1740 V1741 K1743 I1764 V1768 | S1646-F1766 CarbonylContact O-C 3.59Å; S1646-F1766 WeakPolarHBondContact O-CA 3.45Å; S1646-F1766 WeakPolarHBondContact O-CB 3.22Å; M1730-F1766 HydrophobicContact CB-CD2 4.11Å; M1730-F1766 HydrophobicContact CB-CE2 3.62Å; M1730-F1766 HydrophobicContact CB-CZ 3.98Å; M1730-F1766 HydrophobicContact CE-CB 3.52Å; M1730-F1766 HydrophobicContact CE-CD1 3.36Å; M1730-F1766 HydrophobicContact CE-CD2 3.61Å; M1730-F1766 HydrophobicContact CE-CE1 3.84Å; M1730-F1766 HydrophobicContact CE-CE2 4.08Å; M1730-F1766 HydrophobicContact CE-CG 3.21Å; M1730-F1766 HydrophobicContact CE-CZ 4.18Å; M1730-F1766 HydrophobicContact CG-CD2 4.43Å; M1730-F1766 HydrophobicContact CG-CE1 4.37Å; M1730-F1766 HydrophobicContact CG-CE2 4.07Å; M1730-F1766 HydrophobicContact CG-CZ 4.02Å; M1730-F1766 WeakPolarHBondContact O-CE2 3.41Å; L1733-F1766 HydrophobicContact CB-CZ 4.17Å; L1733-F1766 HydrophobicContact CD1-CZ 4.22Å; P1740-F1766 CarbonylContact C-O 3.52Å; P1740-F1766 VanDerWaalsContact CA-O 3.25Å; P1740-F1766 WeakPolarHBondContact CA-O 3.49Å; V1741-F1766 HydrophobicContact CB-CD2 4.16Å; V1741-F1766 HydrophobicContact CB-CE1 4.14Å; V1741-F1766 HydrophobicContact CB-CE2 3.66Å; V1741-F1766 HydrophobicContact CB-CZ 3.66Å; V1741-F1766 HydrophobicContact CG1-CE1 4.25Å; V1741-F1766 HydrophobicContact CG1-CE2 4.34Å; V1741-F1766 HydrophobicContact CG1-CZ 3.86Å; V1741-F1766 HydrophobicContact CG2-CD2 4.46Å; V1741-F1766 HydrophobicContact CG2-CE2 3.8Å; V1741-F1766 HydrophobicContact CG2-CZ 4.14Å; V1741-F1766 PolarHBondContact N-O 3.16Å; V1741-F1766 PolarHBondContact O-N 3.41Å; K1743-F1766 HydrophobicContact CB-CE1 3.77Å; I1764-F1766 HydrophobicContact CD1-CD1 3.95Å; I1764-F1766 HydrophobicContact CD1-CE1 4.36Å; I1764-F1766 HydrophobicContact CG1-CD1 4.17Å; F1766-V1768 HydrophobicContact CD2-CG2 4.34Å |
| 1767 | S | 91.4 | Very high | 84.2 | Confident | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.5 | 165.6 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | I1645 S1646 | I1645-S1767 WeakPolarHBondContact CA-O 3.47Å; S1646-S1767 PolarHBondContact N-O 3.31Å; S1646-S1767 PolarHBondContact O-N 3.12Å |
| 1768 | V | 90.3 | Very high | 84.8 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 111.4 | -174.5 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | I1645 F1697 I1727 M1730 I1731 F1766 V1770 | I1645-V1768 HydrophobicContact CD1-CG2 4.36Å; I1645-V1768 HydrophobicContact CG1-CG2 4.21Å; F1697-V1768 HydrophobicContact CE1-CG1 3.97Å; F1697-V1768 HydrophobicContact CZ-CG1 3.61Å; I1727-V1768 HydrophobicContact CG2-CG1 3.97Å; M1730-V1768 HydrophobicContact CB-CG2 3.88Å; I1731-V1768 HydrophobicContact CD1-CG1 3.91Å; I1731-V1768 HydrophobicContact CG1-CB 4.04Å; I1731-V1768 HydrophobicContact CG1-CG1 3.69Å; F1766-V1768 HydrophobicContact CD2-CG2 4.34Å; V1768-V1770 HydrophobicContact CG1-CG2 4.48Å |
| 1769 | N | 87.9 | Confident | 85.4 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 92.4 | 177.8 | -68 | -8.7 | 0 | 0 | 0 | 109 | G1643 R1644 | G1643-N1769 CarbonylContact C-O 3.53Å; G1643-N1769 VanDerWaalsContact CA-O 3.25Å; G1643-N1769 WeakPolarHBondContact CA-O 3.41Å; R1644-N1769 PolarHBondContact N-O 3.1Å; R1644-N1769 PolarHBondContact O-N 2.85Å |
| 1770 | V | 85.2 | Confident | 85.4 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 130.5 | 164.5 | -169.5 | 0 | 0 | 0 | 0 | 107.7 | M1642 F1697 L1700 I1731 R1738 V1768 | M1642-V1770 HydrophobicContact CG-CG1 4.44Å; M1642-V1770 VanDerWaalsContact O-CG1 3.31Å; M1642-V1770 WeakPolarHBondContact O-CG1 3.39Å; F1697-V1770 HydrophobicContact CZ-CG2 4.37Å; L1700-V1770 HydrophobicContact CD2-CG2 4.33Å; I1731-V1770 HydrophobicContact CD1-CG2 3.75Å; R1738-V1770 PolarHBondContact NH1-O 3.06Å; V1768-V1770 HydrophobicContact CG1-CG2 4.48Å |
| 1771 | F | 83.6 | Confident | 85.1 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 134.7 | 172.9 | -53 | -56.9 | 0 | 0 | 0 | 108.6 | A1641 M1642 G1643 R1644 L1696 | A1641-F1771 HydrophobicContact CB-CE2 4.07Å; A1641-F1771 WeakPolarHBondContact O-CD2 3.36Å; M1642-F1771 PolarHBondContact O-N 3.07Å; G1643-F1771 VanDerWaalsContact C-CE2 3.47Å; G1643-F1771 VanDerWaalsContact CA-CD2 3.48Å; R1644-F1771 HydrophobicContact CB-CE1 4.33Å; R1644-F1771 HydrophobicContact CB-CZ 3.84Å; L1696-F1771 HydrophobicContact CD2-CE2 4.11Å; L1696-F1771 HydrophobicContact CD2-CZ 4Å |
| 1772 | N | 61.8 | Low | 84.5 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 73% | 0.733 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 143.9 | 171.9 | -63.2 | 1.1 | 0 | 0 | 0 | 109 | ||
| 1773 | E | 42.7 | Very low | 83.6 | Confident | 271 Ų | 271 | 68.5 Ų | 68.5 | 100% | 1.266 | 34% | 0.341 | S | S | * | . | trans | -77.4 | 0 | 153.3 | -64.1 | -172.4 | 142.9 | 0 | 0 | 110.2 |
Retrieved 1,773 of 1,773 residues in 1071.3 ms
(Link to these results)