| 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 | 72.9 | Confident | 93.3 | Very high | 102 Ų | 102 | 20.7 Ų | 20.7 | 50% | 0.502 | 11% | 0.113 | S | C | . | . | 0 | 135.5 | 0 | -173.7 | 170.8 | -73.2 | 0 | 0 | 108.1 | D139 S384 P385 A386 | M1-D139 HydrophobicContact CG-CB 4.27Å; M1-D139 WeakPolarHBondContact CG-OD2 3.44Å; M1-D139 HydrophobicContact SD-CB 4.45Å; M1-S384 PolarHBondContact SD-OG 2.92Å; M1-P385 HydrophobicContact CE-CG 4.47Å; M1-A386 HydrophobicContact CB-CB 4.49Å | |||
| 2 | S | 86.1 | Confident | 93.5 | Very high | 16 Ų | 16 | 22 Ų | 22 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | trans | -97.5 | 141 | 173 | -62.3 | 0 | 0 | 0 | 0 | 108.1 | P136 | S2-P136 PolarHBondContact OG-O 3.47Š| ||
| 3 | V | 91.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | trans | -102.3 | 115.3 | 178.9 | 164.7 | 0 | 0 | 0 | 0 | 108.5 | V17 A18 A377 C380 A381 F387 | V3-V17 WeakPolarHBondContact O-CA 3.3Å; V3-A18 HydrophobicContact CB-CB 3.83Å; V3-A18 HydrophobicContact CG1-CB 3.82Å; V3-A18 PolarHBondContact O-N 2.86Å; V3-A377 WeakPolarHBondContact CG1-O 3.33Å; V3-C380 HydrophobicContact CG1-CB 4.03Å; V3-A381 HydrophobicContact CG1-CB 3.92Å; V3-A381 HydrophobicContact CG2-CB 4.35Å; V3-F387 HydrophobicContact CB-CE2 4.29Å; V3-F387 HydrophobicContact CG2-CD2 3.44Å; V3-F387 VanDerWaalsContact CG2-CD2 3.44Å; V3-F387 HydrophobicContact CG2-CE2 3.49Å; V3-F387 VanDerWaalsContact CG2-CE2 3.49Å; V3-F387 HydrophobicContact CG2-CG 4.11Å; V3-F387 HydrophobicContact CG2-CZ 4.18Å | ||
| 4 | V | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 123.3 | -177.3 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | I6 I15 V17 L133 V137 C140 V141 C380 | V4-I6 HydrophobicContact CG1-CG1 4.07Å; V4-I15 HydrophobicContact CG1-CG2 3.79Å; V4-V17 HydrophobicContact CG2-CG1 4.3Å; V4-L133 HydrophobicContact CG2-CD1 4.11Å; V4-V137 HydrophobicContact CB-CG1 4.27Å; V4-V137 HydrophobicContact CG2-CB 4.46Å; V4-V137 HydrophobicContact CG2-CG1 3.67Å; V4-V137 HydrophobicContact CG2-CG2 3.86Å; V4-C140 HydrophobicContact CB-CB 4.42Å; V4-C140 VanDerWaalsContact O-CA 3.32Å; V4-C140 WeakPolarHBondContact O-CA 3.49Å; V4-V141 PolarHBondContact O-N 2.88Å; V4-C380 PolarHBondContact N-SG 3.43Å; V4-C380 VanDerWaalsContact N-SG 3.43Å |
| 5 | G | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I15 A16 V141 | G5-I15 WeakPolarHBondContact O-CA 3.25Å; G5-A16 PolarHBondContact N-O 3.32Å; G5-A16 PolarHBondContact O-N 2.99Å; G5-V141 WeakPolarHBondContact CA-O 3.32Å |
| 6 | I | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.3 | 178.2 | -60.2 | 176.7 | 0 | 0 | 0 | 108.3 | V4 L122 L125 C140 V141 I142 S143 L165 | V4-I6 HydrophobicContact CG1-CG1 4.07Å; I6-L122 HydrophobicContact CD1-CD2 4.04Å; I6-L122 HydrophobicContact CG2-CD2 4.28Å; I6-L125 HydrophobicContact CD1-CB 4.4Å; I6-L125 HydrophobicContact CG2-CD1 3.83Å; I6-C140 HydrophobicContact CD1-CB 4.45Å; I6-V141 PolarHBondContact N-O 3.39Å; I6-I142 HydrophobicContact CB-CG1 4.49Å; I6-I142 CarbonylContact O-C 3.42Å; I6-I142 WeakPolarHBondContact O-CA 3.27Å; I6-S143 PolarHBondContact O-N 3.15Å; I6-L165 HydrophobicContact CD1-CD1 4.22Å |
| 7 | D | 98.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 17.5 Ų | 17.5 | 8% | 0.08 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 111.2 | 158 | 178.6 | 39.8 | 0 | 0 | 0 | 109.4 | G9 C13 Y14 S143 V372 A373 | D7-G9 VanDerWaalsContact C-N 3.33Å; D7-G9 PolarHBondContact O-N 2.97Å; D7-C13 CarbonylContact O-C 3.57Å; D7-C13 WeakPolarHBondContact O-CA 3.35Å; D7-C13 WeakPolarHBondContact O-CB 3.43Å; D7-Y14 PolarHBondContact N-O 3.26Å; D7-Y14 PolarHBondContact O-N 3.31Å; D7-Y14 VanDerWaalsContact O-N 3.07Å; D7-S143 VanDerWaalsContact CA-OG 3.3Å; D7-S143 WeakPolarHBondContact CA-OG 3.32Å; D7-S143 WeakPolarHBondContact OD1-CB 3.28Å; D7-S143 PolarHBondContact OD1-OG 2.86Å; D7-V372 HydrophobicContact CB-CB 4.08Å; D7-V372 HydrophobicContact CB-CG1 3.96Å; D7-V372 VanDerWaalsContact OD1-CG1 3.3Å; D7-V372 WeakPolarHBondContact OD1-CG1 3.46Å; D7-A373 HydrophobicContact CB-CB 3.87Å |
| 8 | L | 97.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | trans | -91.8 | 61.1 | -179.7 | -175.2 | 62 | 0 | 0 | 0 | 109.7 | K68 T118 L121 L122 I142 S143 V156 | L8-K68 VanDerWaalsContact O-CD 3.25Å; L8-K68 WeakPolarHBondContact O-CD 3.38Å; L8-K68 VanDerWaalsContact O-CE 3.24Å; L8-K68 WeakPolarHBondContact O-CE 3.44Å; L8-K68 PolarHBondContact O-NZ 3.36Å; L8-T118 HydrophobicContact CD1-CG2 4.38Å; L8-T118 HydrophobicContact CD2-CG2 4Å; L8-L121 HydrophobicContact CD1-CD2 4.02Å; L8-L122 HydrophobicContact CD1-CD2 4.25Å; L8-I142 HydrophobicContact CB-CG2 3.91Å; L8-I142 HydrophobicContact CD2-CG2 3.99Å; L8-S143 PolarHBondContact N-OG 3.32Å; L8-V156 HydrophobicContact CD2-CG1 4.05Å | ||
| 9 | G | 95.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 12% | 0.124 | 11% | 0.11 | C | C | . | . | trans | -67.7 | 158.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D7 L11 N12 | D7-G9 VanDerWaalsContact C-N 3.33Å; D7-G9 PolarHBondContact O-N 2.97Å; G9-L11 PolarHBondContact O-N 2.92Å; G9-N12 CarbonylContact C-O 3.59Å; G9-N12 WeakPolarHBondContact CA-O 3.06Å; G9-N12 PolarHBondContact N-O 2.95Å | ||
| 10 | F | 95.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 27 Ų | 27 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -67.4 | -34 | -174.5 | -179.1 | -77.7 | 0 | 0 | 0 | 114 | G66 K68 K69 H205 S206 | F10-G66 WeakPolarHBondContact CE2-O 3.4Å; F10-G66 VanDerWaalsContact CZ-O 3.28Å; F10-G66 WeakPolarHBondContact CZ-O 3.19Å; F10-K68 HydrophobicContact CB-CD 4.31Å; F10-K68 HydrophobicContact CD2-CB 4Å; F10-K69 HydrophobicContact CD2-CG 4.2Å; F10-K69 HydrophobicContact CE2-CB 4.16Å; F10-K69 HydrophobicContact CE2-CD 4.07Å; F10-K69 HydrophobicContact CE2-CG 3.78Å; F10-H205 AromaticContact CD1-CD2 3.42Å; F10-H205 VanDerWaalsContact CD1-CD2 3.42Å; F10-H205 WeakPolarHBondContact CD1-CD2 3.34Å; F10-H205 AromaticContact CE1-CD2 3.65Å; F10-S206 WeakPolarHBondContact CB-OG 3.18Å; F10-S206 VanDerWaalsContact CD2-OG 3.27Å; F10-S206 WeakPolarHBondContact CD2-OG 3.49Å; F10-S206 WeakPolarHBondContact CG-OG 3.37Å |
| 11 | L | 95.1 | Very high | 92.9 | Very high | 51 Ų | 51 | 30 Ų | 30 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -108.8 | -42.3 | -178.7 | 176.7 | 67.5 | 0 | 0 | 0 | 112.2 | G9 P36 A37 H205 E271 | G9-L11 PolarHBondContact O-N 2.92Å; L11-P36 CarbonylContact O-C 3.53Å; L11-P36 WeakPolarHBondContact O-CA 3.36Å; L11-A37 PolarHBondContact O-N 2.9Å; L11-H205 HydrophobicContact CB-CB 3.85Å; L11-E271 WeakPolarHBondContact CD2-OE1 3.07Å |
| 12 | N | 96.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.1 | 179.6 | -64.7 | -24.5 | 0 | 0 | 0 | 108.2 | G9 Y14 C34 | G9-N12 CarbonylContact C-O 3.59Å; G9-N12 WeakPolarHBondContact CA-O 3.06Å; G9-N12 PolarHBondContact N-O 2.95Å; N12-Y14 HydrophobicContact CB-CE2 4.13Å; N12-C34 HydrophobicContact CB-CB 4.14Å |
| 13 | C | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 152.3 | 169.9 | -61.1 | 0 | 0 | 0 | 0 | 110 | D7 C34 T35 L125 | D7-C13 CarbonylContact O-C 3.57Å; D7-C13 WeakPolarHBondContact O-CA 3.35Å; D7-C13 WeakPolarHBondContact O-CB 3.43Å; C13-C34 WeakPolarHBondContact O-CA 3.42Å; C13-T35 PolarHBondContact N-O 2.98Å; C13-T35 PolarHBondContact O-N 3.19Å; C13-L125 HydrophobicContact CB-CD1 3.8Å; C13-L125 HydrophobicContact CB-CD2 4.05Å |
| 14 | Y | 98.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 11% | 0.114 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.8 | 176.2 | -62.3 | -93.9 | 0 | 0 | 0 | 109.7 | D7 N12 R33 C34 D369 | D7-Y14 PolarHBondContact N-O 3.26Å; D7-Y14 PolarHBondContact O-N 3.31Å; D7-Y14 VanDerWaalsContact O-N 3.07Å; N12-Y14 HydrophobicContact CB-CE2 4.13Å; Y14-R33 WeakPolarHBondContact CD1-O 3.27Å; Y14-C34 HydrophobicContact CD1-CB 4.19Å; Y14-C34 HydrophobicContact CE1-CB 3.52Å; Y14-C34 HydrophobicContact CE2-CB 4.49Å; Y14-D369 HydrophobicContact CE1-CB 3.97Å; Y14-D369 HydrophobicContact CE2-CB 4.31Å |
| 15 | I | 98.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.5 | 177.5 | -53.4 | 161.9 | 0 | 0 | 0 | 108.7 | V4 G5 V17 T25 I26 L125 T128 S129 | V4-I15 HydrophobicContact CG1-CG2 3.79Å; G5-I15 WeakPolarHBondContact O-CA 3.25Å; I15-V17 HydrophobicContact CG2-CG1 4.23Å; I15-T25 VanDerWaalsContact O-CA 3.28Å; I15-T25 WeakPolarHBondContact O-CA 3.48Å; I15-I26 HydrophobicContact CB-CD1 3.99Å; I15-I26 HydrophobicContact CB-CG1 3.72Å; I15-I26 HydrophobicContact CD1-CD1 4.11Å; I15-I26 HydrophobicContact CD1-CG1 4.44Å; I15-I26 HydrophobicContact CG2-CD1 3.69Å; I15-I26 HydrophobicContact CG2-CG1 3.83Å; I15-I26 PolarHBondContact O-N 2.67Å; I15-L125 HydrophobicContact CD1-CB 3.98Å; I15-L125 HydrophobicContact CD1-CD2 3.75Å; I15-L125 HydrophobicContact CD1-CG 4.47Å; I15-L125 WeakPolarHBondContact CD1-O 3.34Å; I15-L125 HydrophobicContact CG1-CB 4.33Å; I15-L125 HydrophobicContact CG1-CD2 3.98Å; I15-T128 HydrophobicContact CD1-CG2 3.79Å; I15-S129 WeakPolarHBondContact CG2-OG 3.41Å |
| 16 | A | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G5 I23 E24 T25 A373 R374 A377 | G5-A16 PolarHBondContact N-O 3.32Å; G5-A16 PolarHBondContact O-N 2.99Å; A16-I23 HydrophobicContact CB-CG2 4.04Å; A16-E24 CarbonylContact C-O 3.5Å; A16-E24 WeakPolarHBondContact CA-O 3.38Å; A16-E24 VanDerWaalsContact CB-O 3.31Å; A16-E24 WeakPolarHBondContact CB-O 3.34Å; A16-T25 HydrophobicContact CB-CG2 4.07Å; A16-A373 HydrophobicContact CB-CB 4.08Å; A16-A373 WeakPolarHBondContact CB-O 3.19Å; A16-R374 HydrophobicContact CB-CG 4.24Å; A16-A377 HydrophobicContact CB-CB 3.71Å; A16-A377 WeakPolarHBondContact O-CB 3.33Å |
| 17 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 162.2 | -177.5 | -53.2 | 0 | 0 | 0 | 0 | 111 | V3 V4 I15 I23 E24 I26 L133 | V3-V17 WeakPolarHBondContact O-CA 3.3Å; V4-V17 HydrophobicContact CG2-CG1 4.3Å; I15-V17 HydrophobicContact CG2-CG1 4.23Å; V17-I23 WeakPolarHBondContact O-CA 3.41Å; V17-E24 HydrophobicContact CG2-CG 4.11Å; V17-E24 PolarHBondContact N-O 3.43Å; V17-E24 PolarHBondContact O-N 2.95Å; V17-I26 HydrophobicContact CB-CG2 4.49Å; V17-I26 HydrophobicContact CG1-CD1 4.23Å; V17-I26 HydrophobicContact CG1-CG2 4.09Å; V17-I26 HydrophobicContact CG2-CG2 3.6Å; V17-L133 HydrophobicContact CB-CD1 4.33Å; V17-L133 HydrophobicContact CB-CD2 4.03Å; V17-L133 HydrophobicContact CB-CG 4.42Å; V17-L133 HydrophobicContact CG1-CD1 4.11Å; V17-L133 HydrophobicContact CG1-CD2 4.44Å; V17-L133 HydrophobicContact CG1-CG 4.29Å; V17-L133 HydrophobicContact CG2-CD2 3.85Å |
| 18 | A | 91.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V3 G22 I23 F387 | V3-A18 HydrophobicContact CB-CB 3.83Å; V3-A18 HydrophobicContact CG1-CB 3.82Å; V3-A18 PolarHBondContact O-N 2.86Å; A18-G22 WeakPolarHBondContact CA-O 3.47Å; A18-I23 HydrophobicContact CB-CD1 3.81Å; A18-F387 HydrophobicContact CB-CD1 4.28Å; A18-F387 HydrophobicContact CB-CE1 3.71Å; A18-F387 HydrophobicContact CB-CZ 4.06Å |
| 19 | R | 85.7 | Confident | 93.7 | Very high | 99 Ų | 99 | 37.3 Ų | 37.3 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.3 | 172.6 | -157.6 | -167.7 | -56.7 | -100.8 | -7.1 | 109.7 | G21 G22 E24 A132 | R19-G21 PolarHBondContact O-N 3.34Å; R19-G22 PolarHBondContact N-O 2.92Å; R19-G22 CarbonylContact O-C 3.58Å; R19-G22 PolarHBondContact O-N 3.31Å; R19-G22 VanDerWaalsContact O-O 3.07Å; R19-E24 HydrophobicContact CB-CG 3.99Å; R19-E24 IonicContact CZ-OE1 2.76Å; R19-E24 VanDerWaalsContact CZ-OE1 3.24Å; R19-E24 VanDerWaalsContact NE-CD 3.29Å; R19-E24 IonicContact NE-OE1 2.63Å; R19-E24 PolarHBondContact NE-OE1 3.5Å; R19-E24 IonicContact NE-OE2 3.92Å; R19-E24 PolarHBondContact NE-OE2 3.49Å; R19-E24 IonicContact NH2-OE1 3.14Å; R19-E24 PolarHBondContact NH2-OE1 2.9Å; R19-A132 PolarHBondContact NH1-O 2.67Å; R19-A132 VanDerWaalsContact NH1-O 3.12Å; R19-A132 PolarHBondContact NH2-O 3.39Å |
| 20 | S | 80.9 | Confident | 93.6 | Very high | 124 Ų | 124 | 42.4 Ų | 42.4 | 87% | 0.867 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31.2 | 170.4 | -53.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 21 | G | 80.7 | Confident | 93.7 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 95% | 0.948 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 0.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R19 | R19-G21 PolarHBondContact O-N 3.34Š|
| 22 | G | 88.3 | Confident | 93.7 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | -175.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A18 R19 | A18-G22 WeakPolarHBondContact CA-O 3.47Å; R19-G22 PolarHBondContact N-O 2.92Å; R19-G22 CarbonylContact O-C 3.58Å; R19-G22 PolarHBondContact O-N 3.31Å; R19-G22 VanDerWaalsContact O-O 3.07Å |
| 23 | I | 93.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.6 | 172.7 | -59.7 | -60 | 0 | 0 | 0 | 109.2 | A16 V17 A18 R374 A377 L378 | A16-I23 HydrophobicContact CB-CG2 4.04Å; V17-I23 WeakPolarHBondContact O-CA 3.41Å; A18-I23 HydrophobicContact CB-CD1 3.81Å; I23-R374 HydrophobicContact CG2-CB 4.27Å; I23-R374 HydrophobicContact CG2-CG 4.3Å; I23-R374 PolarHBondContact O-NH1 2.86Å; I23-A377 HydrophobicContact CD1-CB 4.26Å; I23-A377 HydrophobicContact CG2-CB 3.67Å; I23-L378 HydrophobicContact CG1-CD2 3.62Å; I23-L378 HydrophobicContact CG1-CG 3.94Å |
| 24 | E | 94.2 | Very high | 93.5 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.3 | -179.7 | 54.6 | 164.1 | -128.3 | 0 | 0 | 111.1 | A16 V17 R19 | A16-E24 CarbonylContact C-O 3.5Å; A16-E24 WeakPolarHBondContact CA-O 3.38Å; A16-E24 VanDerWaalsContact CB-O 3.31Å; A16-E24 WeakPolarHBondContact CB-O 3.34Å; V17-E24 HydrophobicContact CG2-CG 4.11Å; V17-E24 PolarHBondContact N-O 3.43Å; V17-E24 PolarHBondContact O-N 2.95Å; R19-E24 HydrophobicContact CB-CG 3.99Å; R19-E24 IonicContact CZ-OE1 2.76Å; R19-E24 VanDerWaalsContact CZ-OE1 3.24Å; R19-E24 VanDerWaalsContact NE-CD 3.29Å; R19-E24 IonicContact NE-OE1 2.63Å; R19-E24 PolarHBondContact NE-OE1 3.5Å; R19-E24 IonicContact NE-OE2 3.92Å; R19-E24 PolarHBondContact NE-OE2 3.49Å; R19-E24 IonicContact NH2-OE1 3.14Å; R19-E24 PolarHBondContact NH2-OE1 2.9Å |
| 25 | T | 96.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132.9 | 168.3 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | I15 A16 E370 R374 | I15-T25 VanDerWaalsContact O-CA 3.28Å; I15-T25 WeakPolarHBondContact O-CA 3.48Å; A16-T25 HydrophobicContact CB-CG2 4.07Å; T25-E370 HydrophobicContact CG2-CB 3.74Å; T25-E370 HydrophobicContact CG2-CG 3.75Å; T25-E370 PolarHBondContact OG1-OE1 2.84Å; T25-E370 PolarHBondContact OG1-OE2 2.8Å; T25-R374 HydrophobicContact CG2-CG 4.23Å |
| 26 | I | 97.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 156.8 | 179.8 | 61.4 | 170.2 | 0 | 0 | 0 | 111.3 | I15 V17 T128 A132 | I15-I26 HydrophobicContact CB-CD1 3.99Å; I15-I26 HydrophobicContact CB-CG1 3.72Å; I15-I26 HydrophobicContact CD1-CD1 4.11Å; I15-I26 HydrophobicContact CD1-CG1 4.44Å; I15-I26 HydrophobicContact CG2-CD1 3.69Å; I15-I26 HydrophobicContact CG2-CG1 3.83Å; I15-I26 PolarHBondContact O-N 2.67Å; V17-I26 HydrophobicContact CB-CG2 4.49Å; V17-I26 HydrophobicContact CG1-CD1 4.23Å; V17-I26 HydrophobicContact CG1-CG2 4.09Å; V17-I26 HydrophobicContact CG2-CG2 3.6Å; I26-T128 HydrophobicContact CD1-CG2 4.08Å; I26-A132 HydrophobicContact CB-CB 4.06Å; I26-A132 HydrophobicContact CD1-CB 3.6Å; I26-A132 HydrophobicContact CG1-CB 4.43Å; I26-A132 HydrophobicContact CG2-CB 3.93Å |
| 27 | A | 97.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 155.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D32 | A27-D32 CarbonylContact C-O 3.56Å; A27-D32 VanDerWaalsContact CA-O 3.25Å; A27-D32 WeakPolarHBondContact CA-O 3.49Å |
| 28 | N | 96.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | trans | -86.1 | -176.3 | 169.4 | 69.1 | 27.8 | 0 | 0 | 0 | 111.7 | Y30 S31 D32 C34 T35 N50 T128 | N28-Y30 PolarHBondContact O-N 3.13Å; N28-Y30 VanDerWaalsContact O-N 3.14Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.29Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.43Å; N28-Y30 PolarHBondContact OD1-N 2.98Å; N28-S31 WeakPolarHBondContact O-CA 3.44Å; N28-S31 PolarHBondContact O-N 2.78Å; N28-D32 PolarHBondContact N-O 2.64Å; N28-D32 PolarHBondContact OD1-N 3.25Å; N28-D32 PolarHBondContact OD1-O 2.91Å; N28-C34 PolarHBondContact ND2-O 2.97Å; N28-T35 PolarHBondContact ND2-OG1 3.24Å; N28-N50 PolarHBondContact ND2-OD1 2.69Å; N28-N50 VanDerWaalsContact ND2-OD1 3.1Å; N28-T128 HydrophobicContact CB-CG2 4Å | ||
| 29 | E | 94.2 | Very high | 93.9 | Very high | 102 Ų | 102 | 52.1 Ų | 52.1 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14 | -178.1 | 67.2 | -87.1 | -155.6 | 0 | 0 | 114.8 | S31 K124 | E29-S31 VanDerWaalsContact C-N 3.33Å; E29-K124 VanDerWaalsContact CD-NZ 3.3Å; E29-K124 WeakPolarHBondContact OE1-CE 3.16Å; E29-K124 IonicContact OE1-NZ 3.11Å; E29-K124 PolarHBondContact OE1-NZ 3.13Å; E29-K124 IonicContact OE2-NZ 3.45Å; E29-K124 PolarHBondContact OE2-NZ 2.92Å |
| 30 | Y | 94.7 | Very high | 94.4 | Very high | 119 Ų | 119 | 47.4 Ų | 47.4 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 6.3 | 172.3 | -64.2 | -93.2 | 0 | 0 | 0 | 112.7 | N28 D32 N50 | N28-Y30 PolarHBondContact O-N 3.13Å; N28-Y30 VanDerWaalsContact O-N 3.14Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.29Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.43Å; N28-Y30 PolarHBondContact OD1-N 2.98Å; Y30-D32 PolarHBondContact O-N 3.47Å; Y30-N50 HydrophobicContact CD1-CB 4.31Å; Y30-N50 HydrophobicContact CD2-CB 3.38Å; Y30-N50 HydrophobicContact CE1-CB 4.41Å; Y30-N50 HydrophobicContact CE2-CB 3.52Å; Y30-N50 HydrophobicContact CG-CB 3.81Å |
| 31 | S | 96.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 41.5 Ų | 41.5 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 64.5 | 7.2 | -170.2 | -55 | 0 | 0 | 0 | 0 | 115.5 | N28 E29 | N28-S31 WeakPolarHBondContact O-CA 3.44Å; N28-S31 PolarHBondContact O-N 2.78Å; E29-S31 VanDerWaalsContact C-N 3.33Å |
| 32 | D | 95.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 38.3 Ų | 38.3 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | trans | -77.3 | 138.1 | 172.3 | -84.2 | -35.6 | 0 | 0 | 0 | 111.2 | A27 N28 Y30 C34 N50 | A27-D32 CarbonylContact C-O 3.56Å; A27-D32 VanDerWaalsContact CA-O 3.25Å; A27-D32 WeakPolarHBondContact CA-O 3.49Å; N28-D32 PolarHBondContact N-O 2.64Å; N28-D32 PolarHBondContact OD1-N 3.25Å; N28-D32 PolarHBondContact OD1-O 2.91Å; Y30-D32 PolarHBondContact O-N 3.47Å; D32-C34 VanDerWaalsContact C-N 3.26Å; D32-N50 PolarHBondContact OD2-ND2 3.48Å | ||
| 33 | R | 95.9 | Very high | 96 | Very high | 137 Ų | 137 | 39.9 Ų | 39.9 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -77.7 | -10.5 | 169.1 | -66.9 | -170.7 | -171.7 | 155.1 | 9.2 | 113.9 | Y14 E370 | Y14-R33 WeakPolarHBondContact CD1-O 3.27Å; R33-E370 VanDerWaalsContact CD-OE1 3.23Å; R33-E370 WeakPolarHBondContact CD-OE1 3.5Å; R33-E370 IonicContact CZ-OE1 3.27Å; R33-E370 IonicContact NE-OE1 3.21Å; R33-E370 IonicContact NH1-OE1 2.69Å; R33-E370 PolarHBondContact NH1-OE1 3.16Å |
| 34 | C | 95.1 | Very high | 95.9 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.7 | 176.4 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | N12 C13 Y14 N28 D32 | N12-C34 HydrophobicContact CB-CB 4.14Å; C13-C34 WeakPolarHBondContact O-CA 3.42Å; Y14-C34 HydrophobicContact CD1-CB 4.19Å; Y14-C34 HydrophobicContact CE1-CB 3.52Å; Y14-C34 HydrophobicContact CE2-CB 4.49Å; N28-C34 PolarHBondContact ND2-O 2.97Å; D32-C34 VanDerWaalsContact C-N 3.26Å |
| 35 | T | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.8 | 172.4 | -63 | 0 | 0 | 0 | 0 | 108.4 | C13 N28 L125 | C13-T35 PolarHBondContact N-O 2.98Å; C13-T35 PolarHBondContact O-N 3.19Å; N28-T35 PolarHBondContact ND2-OG1 3.24Å; T35-L125 HydrophobicContact CG2-CD2 3.94Å |
| 36 | P | 97.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 140.1 | 179.2 | -29.5 | 35.5 | 0 | 0 | 0 | 113.7 | L11 C38 G49 N50 K53 | L11-P36 CarbonylContact O-C 3.53Å; L11-P36 WeakPolarHBondContact O-CA 3.36Å; P36-C38 HydrophobicContact CB-CB 4.11Å; P36-C38 PolarHBondContact O-N 2.99Å; P36-G49 WeakPolarHBondContact O-CA 3.35Å; P36-N50 WeakPolarHBondContact CD-OD1 3.21Å; P36-K53 HydrophobicContact CB-CB 4.17Å; P36-K53 HydrophobicContact CB-CD 3.98Å; P36-K53 HydrophobicContact CG-CB 4.07Å; P36-K53 HydrophobicContact CG-CD 3.56Å; P36-K53 HydrophobicContact CG-CG 4.45Å |
| 37 | A | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -78.7 | 65.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L11 F67 L121 | L11-A37 PolarHBondContact O-N 2.9Å; A37-F67 WeakPolarHBondContact O-CE1 3.22Å; A37-L121 HydrophobicContact CB-CD2 3.95Å |
| 38 | C | 97.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133.7 | -167.8 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | P36 G49 A52 T63 I64 | P36-C38 HydrophobicContact CB-CB 4.11Å; P36-C38 PolarHBondContact O-N 2.99Å; C38-G49 PolarHBondContact O-N 2.61Å; C38-A52 HydrophobicContact CB-CB 3.95Å; C38-A52 WeakPolarHBondContact O-CB 3.24Å; C38-T63 WeakPolarHBondContact SG-CG2 3.26Å; C38-I64 WeakPolarHBondContact CA-O 3.16Å |
| 39 | I | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122 | 177.3 | -58.8 | 78.1 | 0 | 0 | 0 | 107.9 | L41 I48 T63 I64 F67 V117 M120 L121 | I39-L41 HydrophobicContact CG2-CD2 3.88Å; I39-L41 HydrophobicContact CG2-CG 4.12Å; I39-I48 HydrophobicContact CG1-CG2 4.41Å; I39-I48 HydrophobicContact CG2-CG1 4.4Å; I39-T63 CarbonylContact O-C 3.56Å; I39-T63 WeakPolarHBondContact O-CA 3.4Å; I39-I64 PolarHBondContact N-O 3.2Å; I39-I64 PolarHBondContact O-N 3.3Å; I39-F67 HydrophobicContact CD1-CD1 4.42Å; I39-F67 HydrophobicContact CD1-CE1 3.42Å; I39-F67 VanDerWaalsContact CD1-CE1 3.42Å; I39-F67 HydrophobicContact CD1-CZ 3.55Å; I39-V117 HydrophobicContact CD1-CG1 3.73Å; I39-V117 HydrophobicContact CG1-CG1 4.31Å; I39-M120 HydrophobicContact CG1-CB 4.34Å; I39-M120 HydrophobicContact CG2-SD 3.93Å; I39-L121 HydrophobicContact CD1-CB 4.22Å |
| 40 | S | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.8 | 172.7 | 169.3 | 0 | 0 | 0 | 0 | 109.1 | R46 A47 Q55 N59 | S40-R46 WeakPolarHBondContact O-CA 3.32Å; S40-A47 PolarHBondContact N-O 3.21Å; S40-A47 PolarHBondContact O-N 2.82Å; S40-Q55 PolarHBondContact OG-OE1 2.92Å; S40-N59 PolarHBondContact OG-ND2 3.33Å |
| 41 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.7 | -178.1 | -60.9 | 171.1 | 0 | 0 | 0 | 109.7 | I39 R46 N59 N62 I64 V103 Y105 F112 M120 | I39-L41 HydrophobicContact CG2-CD2 3.88Å; I39-L41 HydrophobicContact CG2-CG 4.12Å; L41-R46 HydrophobicContact CD2-CB 3.91Å; L41-R46 HydrophobicContact CD2-CG 3.47Å; L41-R46 VanDerWaalsContact CD2-CG 3.47Å; L41-N59 PolarHBondContact O-ND2 3.34Å; L41-N62 HydrophobicContact CB-CB 4.46Å; L41-N62 PolarHBondContact N-O 3.38Å; L41-N62 WeakPolarHBondContact O-CB 3.31Å; L41-I64 HydrophobicContact CD1-CD1 3.79Å; L41-I64 HydrophobicContact CG-CD1 4.5Å; L41-V103 HydrophobicContact CD1-CB 4.12Å; L41-V103 HydrophobicContact CD1-CG1 4.47Å; L41-V103 HydrophobicContact CD1-CG2 3.48Å; L41-V103 VanDerWaalsContact CD1-CG2 3.48Å; L41-Y105 HydrophobicContact CB-CD2 3.98Å; L41-Y105 HydrophobicContact CB-CG 4.35Å; L41-Y105 HydrophobicContact CD2-CD2 4.1Å; L41-Y105 HydrophobicContact CD2-CE2 4.46Å; L41-Y105 HydrophobicContact CD2-CG 4.45Å; L41-F112 HydrophobicContact CD1-CD2 4.33Å; L41-F112 HydrophobicContact CD1-CE2 4.01Å; L41-M120 HydrophobicContact CD2-SD 4.19Å |
| 42 | G | 94.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 27% | 0.268 | 16% | 0.155 | S | C | . | . | trans | -109.5 | -171.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | R44 T45 Y105 L106 | G42-R44 VanDerWaalsContact C-N 3.27Å; G42-R44 PolarHBondContact O-N 3.04Å; G42-T45 PolarHBondContact N-O 2.9Å; G42-Y105 WeakPolarHBondContact O-CD2 3.27Å; G42-L106 PolarHBondContact O-N 3.39Å | ||
| 43 | S | 92.2 | Very high | 96.3 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 47% | 0.469 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -72.5 | -15.3 | 174.1 | 47.6 | 0 | 0 | 0 | 0 | 114 | L106 | S43-L106 WeakPolarHBondContact O-CA 3.31Š|
| 44 | R | 90.6 | Very high | 96.2 | Very high | 89 Ų | 89 | 27.1 Ų | 27.1 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -130.8 | -37.4 | -175.4 | -62.7 | -173.9 | 172.6 | -132 | -11.2 | 115.1 | G42 L106 Q611 E615 D669 | G42-R44 VanDerWaalsContact C-N 3.27Å; G42-R44 PolarHBondContact O-N 3.04Å; R44-L106 WeakPolarHBondContact O-CD2 3.46Å; R44-Q611 WeakPolarHBondContact O-CG 3.39Å; R44-Q611 PolarHBondContact O-NE2 3.07Å; R44-E615 HydrophobicContact CB-CG 4.29Å; R44-E615 WeakPolarHBondContact CD-OE1 3.37Å; R44-E615 IonicContact NH1-OE1 2.64Å; R44-E615 PolarHBondContact NH1-OE1 3.08Å; R44-E615 IonicContact NH1-OE2 2.72Å; R44-D669 IonicContact CZ-OD1 3.25Å; R44-D669 IonicContact CZ-OD2 2.92Å; R44-D669 IonicContact NH1-OD1 3.88Å; R44-D669 PolarHBondContact NH1-OD1 2.85Å; R44-D669 IonicContact NH1-OD2 3.81Å; R44-D669 IonicContact NH2-OD1 3.36Å; R44-D669 PolarHBondContact NH2-OD1 3.43Å; R44-D669 IonicContact NH2-OD2 2.74Å; R44-D669 PolarHBondContact NH2-OD2 3.45Å |
| 45 | T | 94.6 | Very high | 96.2 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | trans | -147.3 | 172.3 | -170.6 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | G42 D612 E615 | G42-T45 PolarHBondContact N-O 2.9Å; T45-D612 WeakPolarHBondContact CA-OD1 3.48Å; T45-D612 WeakPolarHBondContact CB-OD1 3.43Å; T45-E615 HydrophobicContact CG2-CB 3.42Å; T45-E615 VanDerWaalsContact CG2-CB 3.42Å; T45-E615 HydrophobicContact CG2-CG 3.53Å | ||
| 46 | R | 96.3 | Very high | 96 | Very high | 20 Ų | 20 | 30 Ų | 30 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.2 | 171.8 | -46.7 | -176.3 | -66.1 | 171.5 | -1.7 | 108.8 | S40 L41 I48 Y105 M120 E605 M608 D612 | S40-R46 WeakPolarHBondContact O-CA 3.32Å; L41-R46 HydrophobicContact CD2-CB 3.91Å; L41-R46 HydrophobicContact CD2-CG 3.47Å; L41-R46 VanDerWaalsContact CD2-CG 3.47Å; R46-I48 HydrophobicContact CB-CG1 4.49Å; R46-Y105 HydrophobicContact CG-CD2 4.35Å; R46-Y105 HydrophobicContact CG-CE2 3.55Å; R46-M120 VanDerWaalsContact NH1-CG 3.28Å; R46-M120 PolarHBondContact NH1-SD 3.5Å; R46-E605 IonicContact CZ-OE1 2.67Å; R46-E605 VanDerWaalsContact CZ-OE1 3.25Å; R46-E605 IonicContact CZ-OE2 3.67Å; R46-E605 IonicContact NH1-OE1 3.45Å; R46-E605 PolarHBondContact NH1-OE1 2.83Å; R46-E605 IonicContact NH1-OE2 3.36Å; R46-E605 PolarHBondContact NH1-OE2 3.32Å; R46-E605 IonicContact NH2-OE1 3.83Å; R46-E605 PolarHBondContact NH2-OE1 2.85Å; R46-M608 VanDerWaalsContact CZ-CB 3.45Å; R46-D612 IonicContact CZ-OD2 2.72Å; R46-D612 VanDerWaalsContact CZ-OD2 3.27Å; R46-D612 PolarHBondContact N-OD1 3.01Å; R46-D612 IonicContact NE-OD1 3.6Å; R46-D612 IonicContact NE-OD2 2.68Å; R46-D612 PolarHBondContact NE-OD2 3.31Å; R46-D612 IonicContact NH2-OD2 3.63Å; R46-D612 PolarHBondContact NH2-OD2 3.37Å |
| 47 | A | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 12% | 0.116 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 139.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | S40 A51 A52 | S40-A47 PolarHBondContact N-O 3.21Å; S40-A47 PolarHBondContact O-N 2.82Å; A47-A51 HydrophobicContact CB-CB 3.82Å; A47-A52 WeakPolarHBondContact O-CB 3.39Å |
| 48 | I | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.2 | -176.9 | -52.6 | 178.8 | 0 | 0 | 0 | 108.4 | I39 R46 M120 L121 K124 | I39-I48 HydrophobicContact CG1-CG2 4.41Å; I39-I48 HydrophobicContact CG2-CG1 4.4Å; R46-I48 HydrophobicContact CB-CG1 4.49Å; I48-M120 HydrophobicContact CD1-CB 3.91Å; I48-L121 HydrophobicContact CG2-CD1 4.04Å; I48-K124 HydrophobicContact CB-CB 4.12Å; I48-K124 HydrophobicContact CB-CG 4.05Å; I48-K124 HydrophobicContact CD1-CB 4.27Å; I48-K124 HydrophobicContact CG2-CB 3.62Å; I48-K124 HydrophobicContact CG2-CG 3.82Å |
| 49 | G | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -130.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | P36 C38 A51 A52 K53 | P36-G49 WeakPolarHBondContact O-CA 3.35Å; C38-G49 PolarHBondContact O-N 2.61Å; G49-A51 VanDerWaalsContact C-N 3.32Å; G49-A51 PolarHBondContact O-N 3.33Å; G49-A52 PolarHBondContact O-N 3.48Å; G49-K53 PolarHBondContact O-N 3.01Å |
| 50 | N | 97.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 179.4 | -74.6 | 55.7 | 0 | 0 | 0 | 111.8 | N28 Y30 D32 P36 A52 K53 S54 | N28-N50 PolarHBondContact ND2-OD1 2.69Å; N28-N50 VanDerWaalsContact ND2-OD1 3.1Å; Y30-N50 HydrophobicContact CD1-CB 4.31Å; Y30-N50 HydrophobicContact CD2-CB 3.38Å; Y30-N50 HydrophobicContact CE1-CB 4.41Å; Y30-N50 HydrophobicContact CE2-CB 3.52Å; Y30-N50 HydrophobicContact CG-CB 3.81Å; D32-N50 PolarHBondContact OD2-ND2 3.48Å; P36-N50 WeakPolarHBondContact CD-OD1 3.21Å; N50-A52 VanDerWaalsContact C-N 3.31Å; N50-A52 PolarHBondContact O-N 3.03Å; N50-K53 PolarHBondContact O-N 3.07Å; N50-K53 VanDerWaalsContact O-N 3.13Å; N50-S54 PolarHBondContact O-N 2.89Å; N50-S54 PolarHBondContact O-OG 2.77Å |
| 51 | A | 96.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.1 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A47 G49 Q55 | A47-A51 HydrophobicContact CB-CB 3.82Å; G49-A51 VanDerWaalsContact C-N 3.32Å; G49-A51 PolarHBondContact O-N 3.33Å; A51-Q55 WeakPolarHBondContact O-CG 3.37Å |
| 52 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C38 A47 G49 N50 S54 Q55 I56 | C38-A52 HydrophobicContact CB-CB 3.95Å; C38-A52 WeakPolarHBondContact O-CB 3.24Å; A47-A52 WeakPolarHBondContact O-CB 3.39Å; G49-A52 PolarHBondContact O-N 3.48Å; N50-A52 VanDerWaalsContact C-N 3.31Å; N50-A52 PolarHBondContact O-N 3.03Å; A52-S54 VanDerWaalsContact C-N 3.3Å; A52-S54 PolarHBondContact O-N 3.41Å; A52-Q55 PolarHBondContact O-N 3.21Å; A52-I56 PolarHBondContact O-N 3.26Å |
| 53 | K | 95.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 36% | 0.361 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -37.1 | 179.9 | -172.9 | 173.1 | -179.9 | 176.3 | 0 | 112.3 | P36 G49 N50 Q55 I56 | P36-K53 HydrophobicContact CB-CB 4.17Å; P36-K53 HydrophobicContact CB-CD 3.98Å; P36-K53 HydrophobicContact CG-CB 4.07Å; P36-K53 HydrophobicContact CG-CD 3.56Å; P36-K53 HydrophobicContact CG-CG 4.45Å; G49-K53 PolarHBondContact O-N 3.01Å; N50-K53 PolarHBondContact O-N 3.07Å; N50-K53 VanDerWaalsContact O-N 3.13Å; K53-Q55 PolarHBondContact O-N 2.87Å; K53-I56 WeakPolarHBondContact O-CG2 3.48Å; K53-I56 PolarHBondContact O-N 3.44Å |
| 54 | S | 94.9 | Very high | 95.5 | Very high | 102 Ų | 102 | 43.3 Ų | 43.3 | 71% | 0.713 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.9 | -24.1 | 173.8 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | N50 A52 | N50-S54 PolarHBondContact O-N 2.89Å; N50-S54 PolarHBondContact O-OG 2.77Å; A52-S54 VanDerWaalsContact C-N 3.3Å; A52-S54 PolarHBondContact O-N 3.41Å |
| 55 | Q | 94.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 41 Ų | 41 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -96.6 | -3.3 | -178.7 | -64.4 | 176.2 | -0.7 | 0 | 0 | 113.9 | S40 A51 A52 K53 V57 T58 N59 | S40-Q55 PolarHBondContact OG-OE1 2.92Å; A51-Q55 WeakPolarHBondContact O-CG 3.37Å; A52-Q55 PolarHBondContact O-N 3.21Å; K53-Q55 PolarHBondContact O-N 2.87Å; Q55-V57 PolarHBondContact O-N 3.13Å; Q55-V57 VanDerWaalsContact O-N 3.07Å; Q55-T58 PolarHBondContact O-N 2.92Å; Q55-T58 VanDerWaalsContact O-N 3.08Å; Q55-T58 PolarHBondContact O-OG1 2.98Å; Q55-T58 VanDerWaalsContact O-OG1 3.06Å; Q55-N59 HydrophobicContact CB-CB 4.38Å; Q55-N59 PolarHBondContact O-N 3.5Å |
| 56 | I | 94.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 39 Ų | 39 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.3 | -168.7 | -162.7 | 169.9 | 0 | 0 | 0 | 115 | A52 K53 V60 T63 L264 Q268 | A52-I56 PolarHBondContact O-N 3.26Å; K53-I56 WeakPolarHBondContact O-CG2 3.48Å; K53-I56 PolarHBondContact O-N 3.44Å; I56-V60 VanDerWaalsContact O-CA 3.32Å; I56-V60 WeakPolarHBondContact O-CA 3.49Å; I56-T63 HydrophobicContact CB-CG2 4.02Å; I56-T63 HydrophobicContact CG1-CG2 3.83Å; I56-L264 HydrophobicContact CG1-CD1 4.4Å; I56-Q268 VanDerWaalsContact CG2-NE2 3.32Å |
| 57 | V | 93 | Very high | 95.6 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 16% | 0.158 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -35.9 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | Q55 R261 L264 R265 | Q55-V57 PolarHBondContact O-N 3.13Å; Q55-V57 VanDerWaalsContact O-N 3.07Å; V57-R261 HydrophobicContact CG1-CB 4.06Å; V57-R261 HydrophobicContact CG1-CG 4.16Å; V57-R261 WeakPolarHBondContact O-CD 3.45Å; V57-R261 WeakPolarHBondContact O-CG 3.45Å; V57-R261 PolarHBondContact O-NE 3.35Å; V57-L264 HydrophobicContact CG2-CB 4.48Å; V57-R265 HydrophobicContact CG1-CG 4.21Å; V57-R265 HydrophobicContact CG2-CG 4.33Å |
| 58 | T | 93.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 58% | 0.577 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -52.7 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | Q55 V60 R261 | Q55-T58 PolarHBondContact O-N 2.92Å; Q55-T58 VanDerWaalsContact O-N 3.08Å; Q55-T58 PolarHBondContact O-OG1 2.98Å; Q55-T58 VanDerWaalsContact O-OG1 3.06Å; T58-V60 VanDerWaalsContact C-N 3.33Å; T58-V60 PolarHBondContact O-N 3.2Å; T58-R261 PolarHBondContact O-NH2 2.84Å |
| 59 | N | 95.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.171 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 37.3 | 179.5 | -163.6 | 22.8 | 0 | 0 | 0 | 113.2 | S40 L41 Q55 R61 N62 T63 | S40-N59 PolarHBondContact OG-ND2 3.33Å; L41-N59 PolarHBondContact O-ND2 3.34Å; Q55-N59 HydrophobicContact CB-CB 4.38Å; Q55-N59 PolarHBondContact O-N 3.5Å; N59-R61 VanDerWaalsContact C-N 3.29Å; N59-R61 PolarHBondContact O-N 3.32Å; N59-N62 CarbonylContact O-C 3.59Å; N59-N62 PolarHBondContact O-N 3.49Å; N59-N62 WeakPolarHBondContact OD1-CB 3.28Å; N59-N62 PolarHBondContact OD1-ND2 2.85Å; N59-T63 PolarHBondContact O-N 2.88Å; N59-T63 PolarHBondContact O-OG1 3.01Å |
| 60 | V | 94.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -36.7 | -170.2 | 54.2 | 0 | 0 | 0 | 0 | 116.1 | I56 T58 P88 R261 L264 | I56-V60 VanDerWaalsContact O-CA 3.32Å; I56-V60 WeakPolarHBondContact O-CA 3.49Å; T58-V60 VanDerWaalsContact C-N 3.33Å; T58-V60 PolarHBondContact O-N 3.2Å; V60-P88 HydrophobicContact CG2-CB 3.62Å; V60-P88 HydrophobicContact CG2-CG 4.37Å; V60-R261 HydrophobicContact CB-CG 4.38Å; V60-R261 HydrophobicContact CG1-CG 3.95Å; V60-L264 HydrophobicContact CB-CD1 4.34Å; V60-L264 HydrophobicContact CG2-CD1 3.56Å |
| 61 | R | 94.3 | Very high | 95.1 | Very high | 191 Ų | 191 | 37.9 Ų | 37.9 | 72% | 0.721 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17.7 | -179 | -71.6 | -174.2 | 179.7 | 174.7 | 0.7 | 114.7 | N59 Y89 | N59-R61 VanDerWaalsContact C-N 3.29Å; N59-R61 PolarHBondContact O-N 3.32Å; R61-Y89 VanDerWaalsContact O-CB 3.25Å; R61-Y89 WeakPolarHBondContact O-CB 3.43Å |
| 62 | N | 96.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 11.7 | -179.1 | -42.6 | -62.2 | 0 | 0 | 0 | 112.1 | L41 N59 V103 R104 | L41-N62 HydrophobicContact CB-CB 4.46Å; L41-N62 PolarHBondContact N-O 3.38Å; L41-N62 WeakPolarHBondContact O-CB 3.31Å; N59-N62 CarbonylContact O-C 3.59Å; N59-N62 PolarHBondContact O-N 3.49Å; N59-N62 WeakPolarHBondContact OD1-CB 3.28Å; N59-N62 PolarHBondContact OD1-ND2 2.85Å; N62-V103 HydrophobicContact CB-CB 4.5Å; N62-R104 PolarHBondContact OD1-N 2.89Å |
| 63 | T | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 104.7 | 174.9 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | C38 I39 I56 N59 H65 Y89 | C38-T63 WeakPolarHBondContact SG-CG2 3.26Å; I39-T63 CarbonylContact O-C 3.56Å; I39-T63 WeakPolarHBondContact O-CA 3.4Å; I56-T63 HydrophobicContact CB-CG2 4.02Å; I56-T63 HydrophobicContact CG1-CG2 3.83Å; N59-T63 PolarHBondContact O-N 2.88Å; N59-T63 PolarHBondContact O-OG1 3.01Å; T63-H65 PolarHBondContact O-CD2 3.46Å; T63-Y89 WeakPolarHBondContact O-CD1 3.47Å |
| 64 | I | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.4 | -173.8 | -49 | 153.7 | 0 | 0 | 0 | 109.1 | C38 I39 L41 F67 Y89 V101 V103 V117 | C38-I64 WeakPolarHBondContact CA-O 3.16Å; I39-I64 PolarHBondContact N-O 3.2Å; I39-I64 PolarHBondContact O-N 3.3Å; L41-I64 HydrophobicContact CD1-CD1 3.79Å; L41-I64 HydrophobicContact CG-CD1 4.5Å; I64-F67 HydrophobicContact CG2-CB 4.32Å; I64-F67 HydrophobicContact CG2-CD1 3.9Å; I64-F67 HydrophobicContact CG2-CG 4.39Å; I64-Y89 HydrophobicContact CG2-CE1 4.29Å; I64-Y89 HydrophobicContact CG2-CE2 3.96Å; I64-V101 HydrophobicContact CD1-CG2 3.83Å; I64-V101 HydrophobicContact CG1-CG2 4.29Å; I64-V101 HydrophobicContact CG2-CG1 4.13Å; I64-V103 HydrophobicContact CD1-CG1 4.11Å; I64-V103 HydrophobicContact CG1-CG1 4.01Å; I64-V117 HydrophobicContact CB-CG1 4.37Å; I64-V117 HydrophobicContact CD1-CG1 4.3Å; I64-V117 HydrophobicContact CD1-CG2 4.09Å; I64-V117 HydrophobicContact CG2-CG1 3.82Å |
| 65 | H | 95.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 30.4 Ų | 30.4 | 19% | 0.185 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 153.1 | -178.9 | 62.7 | 82.6 | 0 | 0 | 0 | 111.2 | T63 F67 P88 Y89 | T63-H65 PolarHBondContact O-CD2 3.46Å; H65-F67 PolarHBondContact O-N 3.41Å; H65-P88 WeakPolarHBondContact NE2-CD 3.42Å; H65-P88 VanDerWaalsContact NE2-CG 3.35Å; H65-P88 WeakPolarHBondContact NE2-CG 3.37Å; H65-Y89 PolarHBondContact O-OH 3.44Å |
| 66 | G | 93.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 31 Ų | 31 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | trans | 71 | 10.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F10 K68 | F10-G66 WeakPolarHBondContact CE2-O 3.4Å; F10-G66 VanDerWaalsContact CZ-O 3.28Å; F10-G66 WeakPolarHBondContact CZ-O 3.19Å; G66-K68 PolarHBondContact O-N 3.35Å; G66-K68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | F | 95.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -66 | -11.7 | -177.7 | 56 | -90 | 0 | 0 | 0 | 114.5 | A37 I39 I64 H65 K69 L70 I114 V117 T118 L121 | A37-F67 WeakPolarHBondContact O-CE1 3.22Å; I39-F67 HydrophobicContact CD1-CD1 4.42Å; I39-F67 HydrophobicContact CD1-CE1 3.42Å; I39-F67 VanDerWaalsContact CD1-CE1 3.42Å; I39-F67 HydrophobicContact CD1-CZ 3.55Å; I64-F67 HydrophobicContact CG2-CB 4.32Å; I64-F67 HydrophobicContact CG2-CD1 3.9Å; I64-F67 HydrophobicContact CG2-CG 4.39Å; H65-F67 PolarHBondContact O-N 3.41Å; F67-K69 PolarHBondContact O-N 2.86Å; F67-K69 VanDerWaalsContact O-N 3.09Å; F67-L70 HydrophobicContact CB-CD1 4.37Å; F67-L70 WeakPolarHBondContact O-CB 3.44Å; F67-L70 PolarHBondContact O-N 3.5Å; F67-I114 HydrophobicContact CD2-CG2 4.38Å; F67-V117 HydrophobicContact CD1-CG1 3.88Å; F67-V117 HydrophobicContact CD2-CG1 3.96Å; F67-V117 HydrophobicContact CE1-CG1 3.97Å; F67-V117 HydrophobicContact CE2-CG1 4.04Å; F67-V117 HydrophobicContact CG-CG1 3.88Å; F67-V117 HydrophobicContact CZ-CG1 4.04Å; F67-T118 HydrophobicContact CE2-CG2 4.42Å; F67-T118 WeakPolarHBondContact CE2-OG1 3.41Å; F67-L121 HydrophobicContact CZ-CD2 3.86Å |
| 68 | K | 95 | Very high | 94.5 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -54.9 | -29.3 | 178 | -179 | 176 | -178.6 | 178.4 | 0 | 113.1 | L8 F10 G66 L70 H71 F148 E173 | L8-K68 VanDerWaalsContact O-CD 3.25Å; L8-K68 WeakPolarHBondContact O-CD 3.38Å; L8-K68 VanDerWaalsContact O-CE 3.24Å; L8-K68 WeakPolarHBondContact O-CE 3.44Å; L8-K68 PolarHBondContact O-NZ 3.36Å; F10-K68 HydrophobicContact CB-CD 4.31Å; F10-K68 HydrophobicContact CD2-CB 4Å; G66-K68 PolarHBondContact O-N 3.35Å; G66-K68 VanDerWaalsContact O-N 3.15Å; K68-L70 VanDerWaalsContact C-N 3.28Å; K68-L70 PolarHBondContact O-N 2.86Å; K68-H71 PolarHBondContact O-CD2 2.92Å; K68-F148 HydrophobicContact CG-CZ 4.04Å; K68-E173 IonicContact NZ-OE1 3.13Å; K68-E173 PolarHBondContact NZ-OE1 2.93Å |
| 69 | K | 92.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -76.6 | -7.8 | 174.9 | -83 | -171.1 | -177.6 | -170.7 | 0 | 114.9 | F10 F67 R73 S206 P229 | F10-K69 HydrophobicContact CD2-CG 4.2Å; F10-K69 HydrophobicContact CE2-CB 4.16Å; F10-K69 HydrophobicContact CE2-CD 4.07Å; F10-K69 HydrophobicContact CE2-CG 3.78Å; F67-K69 PolarHBondContact O-N 2.86Å; F67-K69 VanDerWaalsContact O-N 3.09Å; K69-R73 VanDerWaalsContact O-CD 3.23Å; K69-R73 WeakPolarHBondContact O-CD 3.29Å; K69-R73 PolarHBondContact O-NE 3.39Å; K69-S206 WeakPolarHBondContact CE-O 3.33Å; K69-S206 PolarHBondContact NZ-O 3.4Å; K69-P229 WeakPolarHBondContact CE-O 3.3Å; K69-P229 PolarHBondContact NZ-O 3.3Å |
| 70 | L | 95.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -98 | -5.2 | -176.5 | -51.4 | 178.4 | 0 | 0 | 0 | 113.1 | F67 K68 G72 R73 V80 E83 L87 L91 I114 | F67-L70 HydrophobicContact CB-CD1 4.37Å; F67-L70 WeakPolarHBondContact O-CB 3.44Å; F67-L70 PolarHBondContact O-N 3.5Å; K68-L70 VanDerWaalsContact C-N 3.28Å; K68-L70 PolarHBondContact O-N 2.86Å; L70-G72 PolarHBondContact O-N 3.31Å; L70-R73 PolarHBondContact O-N 2.89Å; L70-V80 HydrophobicContact CD2-CB 4.47Å; L70-V80 HydrophobicContact CD2-CG1 4.29Å; L70-V80 HydrophobicContact CD2-CG2 3.98Å; L70-E83 HydrophobicContact CD2-CB 4.48Å; L70-L87 HydrophobicContact CD1-CD1 4.48Å; L70-L91 HydrophobicContact CD1-CD1 4.19Å; L70-L91 HydrophobicContact CD1-CD2 3.9Å; L70-L91 HydrophobicContact CD2-CD1 4.37Å; L70-I114 HydrophobicContact CB-CD1 3.76Å; L70-I114 HydrophobicContact CB-CG1 3.74Å; L70-I114 HydrophobicContact CB-CG2 4.25Å; L70-I114 HydrophobicContact CD1-CD1 3.84Å; L70-I114 HydrophobicContact CG-CD1 4.46Å |
| 71 | H | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 135.4 | 178.6 | -87.6 | -63.7 | 0 | 0 | 0 | 112.4 | K68 R73 T118 E152 S155 | K68-H71 PolarHBondContact O-CD2 2.92Å; H71-R73 PolarHBondContact O-N 3.4Å; H71-T118 PolarHBondContact CE1-OG1 3.33Å; H71-T118 PolarHBondContact NE2-OG1 3.15Å; H71-E152 HydrophobicContact CB-CG 4.4Å; H71-E152 VanDerWaalsContact O-CG 3.26Å; H71-E152 WeakPolarHBondContact O-CG 3.39Å; H71-S155 PolarHBondContact ND1-OG 3Å |
| 72 | G | 92.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -17.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L70 S155 Y454 R591 | L70-G72 PolarHBondContact O-N 3.31Å; G72-S155 VanDerWaalsContact N-CB 3.32Å; G72-S155 PolarHBondContact N-OG 3.19Å; G72-S155 VanDerWaalsContact N-OG 3.1Å; G72-Y454 PolarHBondContact O-OH 3.39Å; G72-R591 VanDerWaalsContact O-CB 3.3Å; G72-R591 WeakPolarHBondContact O-CB 3.24Å; G72-R591 WeakPolarHBondContact O-CG 3.3Å |
| 73 | R | 93.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 4% | 0.038 | 13% | 0.13 | C | C | . | . | trans | -72.6 | 150.4 | -168.6 | -73.6 | 171.3 | -171.7 | -88.6 | -3.8 | 113.7 | K69 L70 H71 D77 V80 S98 A99 E152 P453 Y454 | K69-R73 VanDerWaalsContact O-CD 3.23Å; K69-R73 WeakPolarHBondContact O-CD 3.29Å; K69-R73 PolarHBondContact O-NE 3.39Å; L70-R73 PolarHBondContact O-N 2.89Å; H71-R73 PolarHBondContact O-N 3.4Å; R73-D77 HydrophobicContact CB-CB 4.43Å; R73-D77 VanDerWaalsContact CD-OD2 3.25Å; R73-D77 WeakPolarHBondContact CD-OD2 3.48Å; R73-D77 WeakPolarHBondContact CG-OD2 3.18Å; R73-D77 IonicContact CZ-OD2 3.35Å; R73-D77 IonicContact NE-OD2 3.46Å; R73-D77 IonicContact NH1-OD2 3.2Å; R73-D77 PolarHBondContact NH1-OD2 3.2Å; R73-V80 HydrophobicContact CB-CG2 3.75Å; R73-V80 HydrophobicContact CG-CG2 4.45Å; R73-S98 CarbonylContact O-C 3.42Å; R73-S98 VanDerWaalsContact O-CA 3.29Å; R73-S98 WeakPolarHBondContact O-CA 3.46Å; R73-A99 PolarHBondContact O-N 3.47Å; R73-E152 IonicContact CZ-OE1 3.2Å; R73-E152 IonicContact NE-OE1 2.74Å; R73-E152 PolarHBondContact NE-OE1 3.04Å; R73-E152 IonicContact NH2-OE1 2.85Å; R73-E152 PolarHBondContact NH2-OE1 3.14Å; R73-P453 PolarHBondContact NH1-O 3.46Å; R73-P453 PolarHBondContact NH2-O 2.97Å; R73-Y454 HydrophobicContact CB-CE2 4.37Å; R73-Y454 HydrophobicContact CG-CD2 3.98Å; R73-Y454 HydrophobicContact CG-CE2 3.46Å; R73-Y454 VanDerWaalsContact CG-CE2 3.46Å | ||
| 74 | S | 93.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 147.4 | 164.7 | -162.9 | 0 | 0 | 0 | 0 | 109.9 | D76 D77 G97 R591 | S74-D76 PolarHBondContact O-N 2.87Å; S74-D76 PolarHBondContact OG-OD2 2.84Å; S74-D77 VanDerWaalsContact O-CB 3.28Å; S74-D77 WeakPolarHBondContact O-CB 3.24Å; S74-D77 PolarHBondContact O-N 3.49Å; S74-G97 WeakPolarHBondContact CA-O 3.36Å; S74-G97 PolarHBondContact OG-O 3.31Å; S74-R591 PolarHBondContact OG-NH2 3.35Å |
| 75 | F | 94.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 10% | 0.096 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -36.5 | 169.1 | 178.7 | -98.2 | 0 | 0 | 0 | 111.7 | D77 Q81 L91 Q92 K93 G97 | F75-D77 PolarHBondContact O-N 2.97Å; F75-Q81 VanDerWaalsContact CE1-NE2 3.33Å; F75-Q81 PolarHBondContact O-NE2 3.42Å; F75-L91 HydrophobicContact CE2-CB 4.08Å; F75-L91 WeakPolarHBondContact CE2-O 3.14Å; F75-Q92 WeakPolarHBondContact CD2-O 3.48Å; F75-K93 HydrophobicContact CB-CB 3.84Å; F75-K93 HydrophobicContact CB-CD 4.16Å; F75-K93 HydrophobicContact CB-CG 3.7Å; F75-K93 HydrophobicContact CD1-CB 3.76Å; F75-K93 HydrophobicContact CD1-CD 3.98Å; F75-K93 HydrophobicContact CD1-CG 4.14Å; F75-K93 HydrophobicContact CD2-CB 4.06Å; F75-K93 HydrophobicContact CE1-CB 4.28Å; F75-K93 HydrophobicContact CG-CB 3.61Å; F75-K93 HydrophobicContact CG-CD 4.32Å; F75-K93 HydrophobicContact CG-CG 4Å; F75-G97 PolarHBondContact N-O 3.2Å |
| 76 | D | 94.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 39.2 Ų | 39.2 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 6.5 | -176.6 | -36.1 | -68.2 | 0 | 0 | 0 | 113.7 | S74 K93 | S74-D76 PolarHBondContact O-N 2.87Å; S74-D76 PolarHBondContact OG-OD2 2.84Å; D76-K93 IonicContact OD1-NZ 2.75Å; D76-K93 PolarHBondContact OD1-NZ 2.66Å; D76-K93 WeakPolarHBondContact OD2-CE 3.25Å; D76-K93 IonicContact OD2-NZ 3.7Å; D76-K93 PolarHBondContact OD2-NZ 3.02Å |
| 77 | D | 92.9 | Very high | 93 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | trans | -62.9 | 128.7 | 174.8 | 179.4 | -22.5 | 0 | 0 | 0 | 110 | R73 S74 F75 I79 V80 Q81 P455 | R73-D77 HydrophobicContact CB-CB 4.43Å; R73-D77 VanDerWaalsContact CD-OD2 3.25Å; R73-D77 WeakPolarHBondContact CD-OD2 3.48Å; R73-D77 WeakPolarHBondContact CG-OD2 3.18Å; R73-D77 IonicContact CZ-OD2 3.35Å; R73-D77 IonicContact NE-OD2 3.46Å; R73-D77 IonicContact NH1-OD2 3.2Å; R73-D77 PolarHBondContact NH1-OD2 3.2Å; S74-D77 VanDerWaalsContact O-CB 3.28Å; S74-D77 WeakPolarHBondContact O-CB 3.24Å; S74-D77 PolarHBondContact O-N 3.49Å; F75-D77 PolarHBondContact O-N 2.97Å; D77-I79 PolarHBondContact O-N 2.97Å; D77-I79 VanDerWaalsContact O-N 3.12Å; D77-I79 WeakPolarHBondContact OD1-CB 3.4Å; D77-I79 PolarHBondContact OD1-N 3.46Å; D77-V80 HydrophobicContact CB-CB 4.06Å; D77-V80 HydrophobicContact CB-CG2 3.83Å; D77-V80 WeakPolarHBondContact O-CA 3.28Å; D77-V80 WeakPolarHBondContact O-CB 3.38Å; D77-V80 PolarHBondContact O-N 2.92Å; D77-Q81 PolarHBondContact O-N 2.83Å; D77-P455 HydrophobicContact CB-CG 4.09Å; D77-P455 VanDerWaalsContact OD2-CD 3.32Å; D77-P455 WeakPolarHBondContact OD2-CD 3.48Å | ||
| 78 | P | 92.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 56% | 0.558 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -52.8 | -31.9 | 176.9 | -28 | 35.7 | 0 | 0 | 0 | 114.4 | T82 | P78-T82 WeakPolarHBondContact O-CB 3.44Å; P78-T82 PolarHBondContact O-N 2.83Å; P78-T82 PolarHBondContact O-OG1 2.97Å |
| 79 | I | 90.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.6 | -43.3 | 176.5 | -63.5 | 151 | 0 | 0 | 0 | 109.7 | D77 Q81 T82 E83 Y230 | D77-I79 PolarHBondContact O-N 2.97Å; D77-I79 VanDerWaalsContact O-N 3.12Å; D77-I79 WeakPolarHBondContact OD1-CB 3.4Å; D77-I79 PolarHBondContact OD1-N 3.46Å; I79-Q81 PolarHBondContact O-N 3.27Å; I79-T82 PolarHBondContact O-N 3.21Å; I79-E83 WeakPolarHBondContact O-CG 3.37Å; I79-E83 PolarHBondContact O-N 3.15Å; I79-Y230 HydrophobicContact CD1-CE1 4.4Å; I79-Y230 WeakPolarHBondContact CD1-OH 3.1Å; I79-Y230 HydrophobicContact CG1-CE1 4.33Å; I79-Y230 HydrophobicContact CG2-CE1 4.38Å |
| 80 | V | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | L70 R73 D77 E83 R84 L91 A99 | L70-V80 HydrophobicContact CD2-CB 4.47Å; L70-V80 HydrophobicContact CD2-CG1 4.29Å; L70-V80 HydrophobicContact CD2-CG2 3.98Å; R73-V80 HydrophobicContact CB-CG2 3.75Å; R73-V80 HydrophobicContact CG-CG2 4.45Å; D77-V80 HydrophobicContact CB-CB 4.06Å; D77-V80 HydrophobicContact CB-CG2 3.83Å; D77-V80 WeakPolarHBondContact O-CA 3.28Å; D77-V80 WeakPolarHBondContact O-CB 3.38Å; D77-V80 PolarHBondContact O-N 2.92Å; V80-E83 PolarHBondContact O-N 2.92Å; V80-R84 WeakPolarHBondContact O-CB 3.41Å; V80-R84 PolarHBondContact O-N 3.5Å; V80-L91 HydrophobicContact CG1-CD1 3.93Å; V80-A99 HydrophobicContact CG1-CB 4.06Å; V80-A99 HydrophobicContact CG2-CB 4.39Å |
| 81 | Q | 95.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.5 | -32.2 | 175.2 | -63.8 | -58 | -46.1 | 0 | 0 | 112.8 | F75 D77 I79 R84 | F75-Q81 VanDerWaalsContact CE1-NE2 3.33Å; F75-Q81 PolarHBondContact O-NE2 3.42Å; D77-Q81 PolarHBondContact O-N 2.83Å; I79-Q81 PolarHBondContact O-N 3.27Å; Q81-R84 WeakPolarHBondContact O-CB 3.48Å |
| 82 | T | 92.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.9 | -41 | 174.1 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | P78 I79 | P78-T82 WeakPolarHBondContact O-CB 3.44Å; P78-T82 PolarHBondContact O-N 2.83Å; P78-T82 PolarHBondContact O-OG1 2.97Å; I79-T82 PolarHBondContact O-N 3.21Å |
| 83 | E | 92.1 | Very high | 93 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 174.7 | -69.3 | -65.3 | 143.8 | 0 | 0 | 111.7 | L70 I79 V80 I85 R86 L87 R234 | L70-E83 HydrophobicContact CD2-CB 4.48Å; I79-E83 WeakPolarHBondContact O-CG 3.37Å; I79-E83 PolarHBondContact O-N 3.15Å; V80-E83 PolarHBondContact O-N 2.92Å; E83-I85 PolarHBondContact O-N 3.44Å; E83-I85 VanDerWaalsContact O-N 3.12Å; E83-R86 WeakPolarHBondContact O-CA 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.43Å; E83-R86 PolarHBondContact O-N 2.9Å; E83-L87 HydrophobicContact CB-CD1 4.42Å; E83-L87 WeakPolarHBondContact O-CG 3.43Å; E83-L87 PolarHBondContact O-N 2.9Å; E83-R234 VanDerWaalsContact CD-NH2 3.33Å; E83-R234 IonicContact OE1-CZ 2.69Å; E83-R234 IonicContact OE1-NH1 2.74Å; E83-R234 PolarHBondContact OE1-NH1 2.92Å; E83-R234 IonicContact OE1-NH2 2.75Å; E83-R234 PolarHBondContact OE1-NH2 3.16Å; E83-R234 IonicContact OE2-CZ 3.23Å; E83-R234 IonicContact OE2-NH1 2.69Å; E83-R234 PolarHBondContact OE2-NH1 3.19Å; E83-R234 IonicContact OE2-NH2 2.92Å; E83-R234 PolarHBondContact OE2-NH2 2.76Å; E83-R234 VanDerWaalsContact OE2-NH2 3.14Å |
| 84 | R | 93.1 | Very high | 93 | Very high | 102 Ų | 102 | 51.4 Ų | 51.4 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.1 | -36.1 | 179.2 | -171.3 | 177 | -177.7 | -151.1 | -1.7 | 113.9 | V80 Q81 R86 L91 | V80-R84 WeakPolarHBondContact O-CB 3.41Å; V80-R84 PolarHBondContact O-N 3.5Å; Q81-R84 WeakPolarHBondContact O-CB 3.48Å; R84-R86 VanDerWaalsContact C-N 3.26Å; R84-R86 PolarHBondContact O-N 3.47Å; R84-L91 HydrophobicContact CB-CD1 3.92Å; R84-L91 HydrophobicContact CB-CG 4.42Å; R84-L91 HydrophobicContact CG-CB 4.11Å; R84-L91 HydrophobicContact CG-CD1 4.21Å; R84-L91 HydrophobicContact CG-CG 4.2Å |
| 85 | I | 89.6 | Confident | 92.8 | Very high | 149 Ų | 149 | 57.2 Ų | 57.2 | 76% | 0.764 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.3 | -179.6 | -61.1 | 165.2 | 0 | 0 | 0 | 111.7 | E83 | E83-I85 PolarHBondContact O-N 3.44Å; E83-I85 VanDerWaalsContact O-N 3.12Å |
| 86 | R | 86.2 | Confident | 92.4 | Very high | 113 Ų | 113 | 58.8 Ų | 58.8 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -12.2 | -175.4 | -55.1 | 178.4 | -174.1 | -151.2 | 2.7 | 113.6 | E83 R84 E238 | E83-R86 WeakPolarHBondContact O-CA 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.43Å; E83-R86 PolarHBondContact O-N 2.9Å; R84-R86 VanDerWaalsContact C-N 3.26Å; R84-R86 PolarHBondContact O-N 3.47Å; R86-E238 IonicContact CZ-OE1 3.68Å; R86-E238 IonicContact CZ-OE2 2.75Å; R86-E238 IonicContact NE-OE1 3.71Å; R86-E238 IonicContact NH1-OE1 2.69Å; R86-E238 PolarHBondContact NH1-OE1 3.15Å; R86-E238 IonicContact NH1-OE2 3.15Å; R86-E238 PolarHBondContact NH1-OE2 3.17Å |
| 87 | L | 91.5 | Very high | 92.2 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | trans | -92.3 | 141.2 | -177.6 | -66.8 | 169.3 | 0 | 0 | 0 | 111 | L70 E83 Y89 L91 | L70-L87 HydrophobicContact CD1-CD1 4.48Å; E83-L87 HydrophobicContact CB-CD1 4.42Å; E83-L87 WeakPolarHBondContact O-CG 3.43Å; E83-L87 PolarHBondContact O-N 2.9Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 HydrophobicContact CB-CD1 4.47Å; L87-Y89 HydrophobicContact CB-CE1 4.18Å; L87-Y89 HydrophobicContact CD1-CE2 4.13Å; L87-Y89 HydrophobicContact CD2-CE1 3.86Å; L87-Y89 HydrophobicContact CG-CE1 4.41Å; L87-Y89 PolarHBondContact O-N 2.92Å; L87-L91 HydrophobicContact CD1-CD1 4.13Å; L87-L91 HydrophobicContact CD1-CD2 4.09Å; L87-L91 HydrophobicContact CD1-CG 4.28Å | ||
| 88 | P | 90.7 | Very high | 92.2 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -82.5 | -5.9 | -177.9 | 33.5 | -36.1 | 0 | 0 | 0 | 114.2 | V60 H65 L264 | V60-P88 HydrophobicContact CG2-CB 3.62Å; V60-P88 HydrophobicContact CG2-CG 4.37Å; H65-P88 WeakPolarHBondContact NE2-CD 3.42Å; H65-P88 VanDerWaalsContact NE2-CG 3.35Å; H65-P88 WeakPolarHBondContact NE2-CG 3.37Å; P88-L264 HydrophobicContact CB-CD1 4.34Å; P88-L264 HydrophobicContact CG-CD1 4.25Å |
| 89 | Y | 93.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -116 | 157.9 | -178.3 | 58 | -96.1 | 0 | 0 | 0 | 111.1 | R61 T63 I64 H65 L87 L91 V101 | R61-Y89 VanDerWaalsContact O-CB 3.25Å; R61-Y89 WeakPolarHBondContact O-CB 3.43Å; T63-Y89 WeakPolarHBondContact O-CD1 3.47Å; I64-Y89 HydrophobicContact CG2-CE1 4.29Å; I64-Y89 HydrophobicContact CG2-CE2 3.96Å; H65-Y89 PolarHBondContact O-OH 3.44Å; L87-Y89 VanDerWaalsContact C-N 3.3Å; L87-Y89 HydrophobicContact CB-CD1 4.47Å; L87-Y89 HydrophobicContact CB-CE1 4.18Å; L87-Y89 HydrophobicContact CD1-CE2 4.13Å; L87-Y89 HydrophobicContact CD2-CE1 3.86Å; L87-Y89 HydrophobicContact CG-CE1 4.41Å; L87-Y89 PolarHBondContact O-N 2.92Å; Y89-L91 HydrophobicContact CD2-CD2 4.15Å; Y89-L91 HydrophobicContact CE2-CD2 3.65Å; Y89-V101 HydrophobicContact CD2-CB 4.38Å; Y89-V101 HydrophobicContact CD2-CG1 4.06Å; Y89-V101 HydrophobicContact CE2-CB 4.44Å; Y89-V101 HydrophobicContact CE2-CG1 3.64Å |
| 90 | E | 94.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126 | -173.6 | -172.4 | 178.1 | -177.9 | 0 | 0 | 111.6 | V101 K102 | E90-V101 WeakPolarHBondContact O-CA 3.45Å; E90-K102 HydrophobicContact CB-CB 4.18Å; E90-K102 HydrophobicContact CG-CB 4.23Å; E90-K102 PolarHBondContact O-N 2.94Å; E90-K102 WeakPolarHBondContact OE2-CD 3.39Å; E90-K102 IonicContact OE2-NZ 2.69Å; E90-K102 PolarHBondContact OE2-NZ 3.38Å |
| 91 | L | 96.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136.2 | 164.3 | -59.3 | -167.4 | 0 | 0 | 0 | 110.4 | L70 F75 V80 R84 L87 Y89 G100 V101 | L70-L91 HydrophobicContact CD1-CD1 4.19Å; L70-L91 HydrophobicContact CD1-CD2 3.9Å; L70-L91 HydrophobicContact CD2-CD1 4.37Å; F75-L91 HydrophobicContact CE2-CB 4.08Å; F75-L91 WeakPolarHBondContact CE2-O 3.14Å; V80-L91 HydrophobicContact CG1-CD1 3.93Å; R84-L91 HydrophobicContact CB-CD1 3.92Å; R84-L91 HydrophobicContact CB-CG 4.42Å; R84-L91 HydrophobicContact CG-CB 4.11Å; R84-L91 HydrophobicContact CG-CD1 4.21Å; R84-L91 HydrophobicContact CG-CG 4.2Å; L87-L91 HydrophobicContact CD1-CD1 4.13Å; L87-L91 HydrophobicContact CD1-CD2 4.09Å; L87-L91 HydrophobicContact CD1-CG 4.28Å; Y89-L91 HydrophobicContact CD2-CD2 4.15Å; Y89-L91 HydrophobicContact CE2-CD2 3.65Å; L91-G100 WeakPolarHBondContact CA-O 3.29Å; L91-V101 HydrophobicContact CD2-CG1 3.9Å |
| 92 | Q | 94.9 | Very high | 92.8 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.4 | 179.5 | -175.8 | 172.8 | 6.5 | 0 | 0 | 111.4 | F75 G100 K102 | F75-Q92 WeakPolarHBondContact CD2-O 3.48Å; Q92-G100 PolarHBondContact N-O 2.87Å; Q92-G100 PolarHBondContact O-N 3.37Å; Q92-K102 HydrophobicContact CB-CB 4.06Å |
| 93 | K | 96.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 46.1 Ų | 46.1 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118 | 171 | -170.6 | 165.2 | -167.7 | 164.4 | 0 | 110 | F75 D76 | F75-K93 HydrophobicContact CB-CB 3.84Å; F75-K93 HydrophobicContact CB-CD 4.16Å; F75-K93 HydrophobicContact CB-CG 3.7Å; F75-K93 HydrophobicContact CD1-CB 3.76Å; F75-K93 HydrophobicContact CD1-CD 3.98Å; F75-K93 HydrophobicContact CD1-CG 4.14Å; F75-K93 HydrophobicContact CD2-CB 4.06Å; F75-K93 HydrophobicContact CE1-CB 4.28Å; F75-K93 HydrophobicContact CG-CB 3.61Å; F75-K93 HydrophobicContact CG-CD 4.32Å; F75-K93 HydrophobicContact CG-CG 4Å; D76-K93 IonicContact OD1-NZ 2.75Å; D76-K93 PolarHBondContact OD1-NZ 2.66Å; D76-K93 WeakPolarHBondContact OD2-CE 3.25Å; D76-K93 IonicContact OD2-NZ 3.7Å; D76-K93 PolarHBondContact OD2-NZ 3.02Å |
| 94 | M | 93.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | trans | -75.2 | 161.8 | 177.7 | -62.9 | -57.6 | -72 | 0 | 0 | 111.2 | N96 G97 S98 P111 A113 | M94-N96 VanDerWaalsContact C-N 3.26Å; M94-N96 WeakPolarHBondContact CB-OD1 3.36Å; M94-N96 PolarHBondContact O-N 2.95Å; M94-G97 VanDerWaalsContact O-CA 3.29Å; M94-G97 WeakPolarHBondContact O-CA 3.49Å; M94-G97 PolarHBondContact O-N 3.05Å; M94-S98 PolarHBondContact N-O 2.88Å; M94-P111 HydrophobicContact CE-CB 4.4Å; M94-P111 HydrophobicContact SD-CB 4.16Å; M94-A113 HydrophobicContact CE-CB 4.2Å | ||
| 95 | P | 89.1 | Confident | 93.3 | Very high | 137 Ų | 137 | 46.9 Ų | 46.9 | 89% | 0.89 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.8 | -177 | -26.5 | 36.2 | 0 | 0 | 0 | 115.1 | G97 | P95-G97 PolarHBondContact O-N 3.47Š|
| 96 | N | 85.4 | Confident | 93.6 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 3.8 | 170.4 | 65.7 | -11.5 | 0 | 0 | 0 | 113.4 | M94 S98 R591 | M94-N96 VanDerWaalsContact C-N 3.26Å; M94-N96 WeakPolarHBondContact CB-OD1 3.36Å; M94-N96 PolarHBondContact O-N 2.95Å; N96-S98 VanDerWaalsContact C-N 3.28Å; N96-S98 PolarHBondContact ND2-OG 3.4Å; N96-S98 PolarHBondContact O-N 3.13Å; N96-S98 WeakPolarHBondContact OD1-CB 3.19Å; N96-S98 PolarHBondContact OD1-N 2.92Å; N96-S98 PolarHBondContact OD1-OG 2.9Å; N96-R591 PolarHBondContact O-NH1 3.3Å |
| 97 | G | 90.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 71.8 | 6.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S74 F75 M94 P95 R591 | S74-G97 WeakPolarHBondContact CA-O 3.36Å; S74-G97 PolarHBondContact OG-O 3.31Å; F75-G97 PolarHBondContact N-O 3.2Å; M94-G97 VanDerWaalsContact O-CA 3.29Å; M94-G97 WeakPolarHBondContact O-CA 3.49Å; M94-G97 PolarHBondContact O-N 3.05Å; P95-G97 PolarHBondContact O-N 3.47Å; G97-R591 PolarHBondContact O-NH1 3.44Å |
| 98 | S | 92.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -72.3 | 165.4 | 174.3 | 75.5 | 0 | 0 | 0 | 0 | 111.5 | R73 M94 N96 | R73-S98 CarbonylContact O-C 3.42Å; R73-S98 VanDerWaalsContact O-CA 3.29Å; R73-S98 WeakPolarHBondContact O-CA 3.46Å; M94-S98 PolarHBondContact N-O 2.88Å; N96-S98 VanDerWaalsContact C-N 3.28Å; N96-S98 PolarHBondContact ND2-OG 3.4Å; N96-S98 PolarHBondContact O-N 3.13Å; N96-S98 WeakPolarHBondContact OD1-CB 3.19Å; N96-S98 PolarHBondContact OD1-N 2.92Å; N96-S98 PolarHBondContact OD1-OG 2.9Å |
| 99 | A | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 150.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R73 V80 I114 | R73-A99 PolarHBondContact O-N 3.47Å; V80-A99 HydrophobicContact CG1-CB 4.06Å; V80-A99 HydrophobicContact CG2-CB 4.39Å; A99-I114 HydrophobicContact CB-CG1 4.48Å |
| 100 | G | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L91 Q92 F112 | L91-G100 WeakPolarHBondContact CA-O 3.29Å; Q92-G100 PolarHBondContact N-O 2.87Å; Q92-G100 PolarHBondContact O-N 3.37Å; G100-F112 CarbonylContact C-O 3.58Å; G100-F112 VanDerWaalsContact CA-O 3.29Å; G100-F112 WeakPolarHBondContact CA-O 3.49Å |
| 101 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.6 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | I64 Y89 E90 L91 V103 P111 F112 I114 V117 | I64-V101 HydrophobicContact CD1-CG2 3.83Å; I64-V101 HydrophobicContact CG1-CG2 4.29Å; I64-V101 HydrophobicContact CG2-CG1 4.13Å; Y89-V101 HydrophobicContact CD2-CB 4.38Å; Y89-V101 HydrophobicContact CD2-CG1 4.06Å; Y89-V101 HydrophobicContact CE2-CB 4.44Å; Y89-V101 HydrophobicContact CE2-CG1 3.64Å; E90-V101 WeakPolarHBondContact O-CA 3.45Å; L91-V101 HydrophobicContact CD2-CG1 3.9Å; V101-V103 HydrophobicContact CG2-CG1 4.44Å; V101-P111 CarbonylContact O-C 3.55Å; V101-P111 WeakPolarHBondContact O-CA 3.48Å; V101-F112 HydrophobicContact CG2-CB 3.97Å; V101-F112 PolarHBondContact N-O 3.41Å; V101-F112 PolarHBondContact O-N 2.89Å; V101-I114 HydrophobicContact CG1-CD1 4.12Å; V101-V117 HydrophobicContact CG2-CG2 3.71Å |
| 102 | K | 96.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 54 Ų | 54 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.1 | 173.4 | 177.9 | 167.9 | 169.1 | -92.7 | 0 | 109.4 | E90 Q92 E109 | E90-K102 HydrophobicContact CB-CB 4.18Å; E90-K102 HydrophobicContact CG-CB 4.23Å; E90-K102 PolarHBondContact O-N 2.94Å; E90-K102 WeakPolarHBondContact OE2-CD 3.39Å; E90-K102 IonicContact OE2-NZ 2.69Å; E90-K102 PolarHBondContact OE2-NZ 3.38Å; Q92-K102 HydrophobicContact CB-CB 4.06Å; K102-E109 WeakPolarHBondContact CE-OE2 3.4Å; K102-E109 IonicContact NZ-OE2 3.6Å; K102-E109 PolarHBondContact NZ-OE2 3.22Å |
| 103 | V | 96 | Very high | 94.6 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 155.8 | -166.3 | -71.1 | 0 | 0 | 0 | 0 | 109.6 | L41 N62 I64 V101 E109 R110 F112 | L41-V103 HydrophobicContact CD1-CB 4.12Å; L41-V103 HydrophobicContact CD1-CG1 4.47Å; L41-V103 HydrophobicContact CD1-CG2 3.48Å; L41-V103 VanDerWaalsContact CD1-CG2 3.48Å; N62-V103 HydrophobicContact CB-CB 4.5Å; I64-V103 HydrophobicContact CD1-CG1 4.11Å; I64-V103 HydrophobicContact CG1-CG1 4.01Å; V101-V103 HydrophobicContact CG2-CG1 4.44Å; V103-E109 WeakPolarHBondContact O-CA 3.24Å; V103-R110 PolarHBondContact N-O 3.26Å; V103-R110 PolarHBondContact O-N 3.43Å; V103-F112 HydrophobicContact CG2-CD2 3.56Å; V103-F112 HydrophobicContact CG2-CE2 3.69Å |
| 104 | R | 96.7 | Very high | 94.7 | Very high | 130 Ų | 130 | 46.1 Ų | 46.1 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.9 | 169.4 | -167.7 | 169.4 | -65.2 | -171 | -1.1 | 109.9 | N62 E107 E108 E109 | N62-R104 PolarHBondContact OD1-N 2.89Å; R104-E107 VanDerWaalsContact CD-O 3.3Å; R104-E107 WeakPolarHBondContact CD-O 3.39Å; R104-E107 WeakPolarHBondContact CG-O 3.44Å; R104-E108 CarbonylContact C-O 3.56Å; R104-E108 VanDerWaalsContact CA-O 3.27Å; R104-E108 WeakPolarHBondContact CA-O 3.35Å; R104-E109 IonicContact NH2-OE1 2.78Å; R104-E109 PolarHBondContact NH2-OE1 3.18Å |
| 105 | Y | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 129.7 | 178.4 | 176.5 | -119.4 | 0 | 0 | 0 | 109.8 | L41 G42 R46 E107 E108 F112 M608 | L41-Y105 HydrophobicContact CB-CD2 3.98Å; L41-Y105 HydrophobicContact CB-CG 4.35Å; L41-Y105 HydrophobicContact CD2-CD2 4.1Å; L41-Y105 HydrophobicContact CD2-CE2 4.46Å; L41-Y105 HydrophobicContact CD2-CG 4.45Å; G42-Y105 WeakPolarHBondContact O-CD2 3.27Å; R46-Y105 HydrophobicContact CG-CD2 4.35Å; R46-Y105 HydrophobicContact CG-CE2 3.55Å; Y105-E107 PolarHBondContact O-N 3.44Å; Y105-E108 PolarHBondContact N-O 3.32Å; Y105-E108 PolarHBondContact O-N 2.95Å; Y105-F112 HydrophobicContact CD1-CZ 4.15Å; Y105-M608 HydrophobicContact CD1-SD 4.4Å; Y105-M608 HydrophobicContact CE1-CG 3.86Å; Y105-M608 HydrophobicContact CE1-SD 3.81Å |
| 106 | L | 94.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 44.8 | -168 | -52 | 178.7 | 0 | 0 | 0 | 111.4 | G42 S43 R44 E108 Q611 | G42-L106 PolarHBondContact O-N 3.39Å; S43-L106 WeakPolarHBondContact O-CA 3.31Å; R44-L106 WeakPolarHBondContact O-CD2 3.46Å; L106-E108 PolarHBondContact O-N 3.4Å; L106-Q611 HydrophobicContact CD1-CG 4.44Å; L106-Q611 HydrophobicContact CD2-CG 4.23Å |
| 107 | E | 92.7 | Very high | 95.9 | Very high | 144 Ų | 144 | 37.1 Ų | 37.1 | 67% | 0.673 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -18 | -179.1 | -48.7 | -161.7 | 153.5 | 0 | 0 | 116.7 | R104 Y105 | R104-E107 VanDerWaalsContact CD-O 3.3Å; R104-E107 WeakPolarHBondContact CD-O 3.39Å; R104-E107 WeakPolarHBondContact CG-O 3.44Å; Y105-E107 PolarHBondContact O-N 3.44Å |
| 108 | E | 95.5 | Very high | 96.3 | Very high | 108 Ų | 108 | 36.6 Ų | 36.6 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 151 | 174.6 | -65.7 | 177.4 | 177.5 | 0 | 0 | 113.4 | R104 Y105 L106 R110 | R104-E108 CarbonylContact C-O 3.56Å; R104-E108 VanDerWaalsContact CA-O 3.27Å; R104-E108 WeakPolarHBondContact CA-O 3.35Å; Y105-E108 PolarHBondContact N-O 3.32Å; Y105-E108 PolarHBondContact O-N 2.95Å; L106-E108 PolarHBondContact O-N 3.4Å; E108-R110 HydrophobicContact CB-CG 4.18Å; E108-R110 IonicContact OE1-NH2 3.73Å; E108-R110 IonicContact OE2-CZ 2.75Å; E108-R110 IonicContact OE2-NE 3.42Å; E108-R110 PolarHBondContact OE2-NE 3.09Å; E108-R110 IonicContact OE2-NH2 3.22Å; E108-R110 PolarHBondContact OE2-NH2 3.18Å |
| 109 | E | 95.9 | Very high | 96.5 | Very high | 109 Ų | 109 | 36.4 Ų | 36.4 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.7 | 167.3 | -58.3 | -161.5 | 163 | 0 | 0 | 110.3 | K102 V103 R104 | K102-E109 WeakPolarHBondContact CE-OE2 3.4Å; K102-E109 IonicContact NZ-OE2 3.6Å; K102-E109 PolarHBondContact NZ-OE2 3.22Å; V103-E109 WeakPolarHBondContact O-CA 3.24Å; R104-E109 IonicContact NH2-OE1 2.78Å; R104-E109 PolarHBondContact NH2-OE1 3.18Å |
| 110 | R | 95.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 31% | 0.306 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.2 | -174.3 | -67.8 | -177.3 | 171.1 | -166.4 | 2.7 | 111.7 | V103 E108 F112 | V103-R110 PolarHBondContact N-O 3.26Å; V103-R110 PolarHBondContact O-N 3.43Å; E108-R110 HydrophobicContact CB-CG 4.18Å; E108-R110 IonicContact OE1-NH2 3.73Å; E108-R110 IonicContact OE2-CZ 2.75Å; E108-R110 IonicContact OE2-NE 3.42Å; E108-R110 PolarHBondContact OE2-NE 3.09Å; E108-R110 IonicContact OE2-NH2 3.22Å; E108-R110 PolarHBondContact OE2-NH2 3.18Å; R110-F112 HydrophobicContact CB-CE2 3.89Å; R110-F112 HydrophobicContact CB-CZ 4.34Å |
| 111 | P | 96.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 42% | 0.416 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 140.2 | 171.2 | 32.8 | -32.6 | 0 | 0 | 0 | 111 | M94 V101 | M94-P111 HydrophobicContact CE-CB 4.4Å; M94-P111 HydrophobicContact SD-CB 4.16Å; V101-P111 CarbonylContact O-C 3.55Å; V101-P111 WeakPolarHBondContact O-CA 3.48Å |
| 112 | F | 97.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.1 | 170.8 | -66.9 | -86.3 | 0 | 0 | 0 | 111.1 | L41 G100 V101 V103 Y105 R110 Q116 V117 M120 M608 | L41-F112 HydrophobicContact CD1-CD2 4.33Å; L41-F112 HydrophobicContact CD1-CE2 4.01Å; G100-F112 CarbonylContact C-O 3.58Å; G100-F112 VanDerWaalsContact CA-O 3.29Å; G100-F112 WeakPolarHBondContact CA-O 3.49Å; V101-F112 HydrophobicContact CG2-CB 3.97Å; V101-F112 PolarHBondContact N-O 3.41Å; V101-F112 PolarHBondContact O-N 2.89Å; V103-F112 HydrophobicContact CG2-CD2 3.56Å; V103-F112 HydrophobicContact CG2-CE2 3.69Å; Y105-F112 HydrophobicContact CD1-CZ 4.15Å; R110-F112 HydrophobicContact CB-CE2 3.89Å; R110-F112 HydrophobicContact CB-CZ 4.34Å; F112-Q116 HydrophobicContact CB-CB 4.44Å; F112-Q116 HydrophobicContact CD1-CB 4.24Å; F112-V117 HydrophobicContact CB-CG2 4.03Å; F112-M120 HydrophobicContact CD1-CE 3.5Å; F112-M120 HydrophobicContact CE1-CE 3.6Å; F112-M120 HydrophobicContact CG-CE 4.03Å; F112-M120 HydrophobicContact CZ-CE 4.19Å; F112-M608 HydrophobicContact CE1-CE 3.93Å; F112-M608 HydrophobicContact CE1-SD 3.72Å; F112-M608 HydrophobicContact CZ-SD 3.97Å |
| 113 | A | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 155.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | M94 E115 Q116 V117 Y601 | M94-A113 HydrophobicContact CE-CB 4.2Å; A113-E115 WeakPolarHBondContact CB-OE2 3.39Å; A113-E115 PolarHBondContact O-N 3.3Å; A113-Q116 HydrophobicContact CB-CG 4.27Å; A113-Q116 WeakPolarHBondContact O-CB 3.45Å; A113-Q116 PolarHBondContact O-N 2.62Å; A113-V117 PolarHBondContact O-N 3.17Å; A113-V117 VanDerWaalsContact O-N 3.07Å; A113-Y601 HydrophobicContact CB-CE2 3.62Å |
| 114 | I | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -31 | 179.2 | -53.1 | -57.4 | 0 | 0 | 0 | 111 | F67 L70 A99 V101 Q116 V117 T118 | F67-I114 HydrophobicContact CD2-CG2 4.38Å; L70-I114 HydrophobicContact CB-CD1 3.76Å; L70-I114 HydrophobicContact CB-CG1 3.74Å; L70-I114 HydrophobicContact CB-CG2 4.25Å; L70-I114 HydrophobicContact CD1-CD1 3.84Å; L70-I114 HydrophobicContact CG-CD1 4.46Å; A99-I114 HydrophobicContact CB-CG1 4.48Å; V101-I114 HydrophobicContact CG1-CD1 4.12Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 3.36Å; I114-V117 PolarHBondContact O-N 2.98Å; I114-T118 VanDerWaalsContact O-CB 3.3Å; I114-T118 WeakPolarHBondContact O-CB 3.46Å; I114-T118 PolarHBondContact O-N 3.46Å; I114-T118 PolarHBondContact O-OG1 3.02Å |
| 115 | E | 97.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 170.9 | -64.7 | 75.7 | -167.4 | 0 | 0 | 112.2 | A113 G119 S155 A158 A159 L593 | A113-E115 WeakPolarHBondContact CB-OE2 3.39Å; A113-E115 PolarHBondContact O-N 3.3Å; E115-G119 PolarHBondContact O-N 3.47Å; E115-S155 VanDerWaalsContact CD-OG 3.28Å; E115-S155 VanDerWaalsContact OE1-CB 3.3Å; E115-S155 WeakPolarHBondContact OE1-CB 3.46Å; E115-S155 PolarHBondContact OE1-OG 3.22Å; E115-A158 HydrophobicContact CB-CB 4.48Å; E115-A158 HydrophobicContact CG-CB 3.96Å; E115-A159 WeakPolarHBondContact O-CA 3.12Å; E115-A159 WeakPolarHBondContact O-CB 3.28Å; E115-L593 HydrophobicContact CB-CD1 4.03Å; E115-L593 HydrophobicContact CG-CD1 3.8Å; E115-L593 HydrophobicContact CG-CG 4.5Å |
| 116 | Q | 97.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -49.2 | 176.5 | -65 | 176.7 | -83.9 | 0 | 0 | 111.1 | F112 A113 I114 T118 G119 M120 Y601 | F112-Q116 HydrophobicContact CB-CB 4.44Å; F112-Q116 HydrophobicContact CD1-CB 4.24Å; A113-Q116 HydrophobicContact CB-CG 4.27Å; A113-Q116 WeakPolarHBondContact O-CB 3.45Å; A113-Q116 PolarHBondContact O-N 2.62Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 3.36Å; Q116-T118 VanDerWaalsContact C-N 3.27Å; Q116-T118 PolarHBondContact O-N 2.99Å; Q116-G119 CarbonylContact O-C 3.5Å; Q116-G119 WeakPolarHBondContact O-CA 3.44Å; Q116-G119 PolarHBondContact O-N 2.92Å; Q116-M120 WeakPolarHBondContact O-CG 3.42Å; Q116-M120 PolarHBondContact O-N 3.04Å; Q116-Y601 VanDerWaalsContact CD-CD1 3.45Å; Q116-Y601 HydrophobicContact CG-CD1 3.82Å; Q116-Y601 HydrophobicContact CG-CD2 3.56Å; Q116-Y601 HydrophobicContact CG-CE1 4.2Å; Q116-Y601 HydrophobicContact CG-CE2 3.97Å; Q116-Y601 HydrophobicContact CG-CG 3.48Å; Q116-Y601 VanDerWaalsContact CG-CG 3.48Å |
| 117 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.6 | -44.5 | 177.9 | 177 | 0 | 0 | 0 | 0 | 111 | I39 I64 F67 V101 F112 A113 I114 M120 L121 | I39-V117 HydrophobicContact CD1-CG1 3.73Å; I39-V117 HydrophobicContact CG1-CG1 4.31Å; I64-V117 HydrophobicContact CB-CG1 4.37Å; I64-V117 HydrophobicContact CD1-CG1 4.3Å; I64-V117 HydrophobicContact CD1-CG2 4.09Å; I64-V117 HydrophobicContact CG2-CG1 3.82Å; F67-V117 HydrophobicContact CD1-CG1 3.88Å; F67-V117 HydrophobicContact CD2-CG1 3.96Å; F67-V117 HydrophobicContact CE1-CG1 3.97Å; F67-V117 HydrophobicContact CE2-CG1 4.04Å; F67-V117 HydrophobicContact CG-CG1 3.88Å; F67-V117 HydrophobicContact CZ-CG1 4.04Å; V101-V117 HydrophobicContact CG2-CG2 3.71Å; F112-V117 HydrophobicContact CB-CG2 4.03Å; A113-V117 PolarHBondContact O-N 3.17Å; A113-V117 VanDerWaalsContact O-N 3.07Å; I114-V117 PolarHBondContact O-N 2.98Å; V117-M120 PolarHBondContact O-N 3.08Å; V117-L121 PolarHBondContact O-N 2.66Å |
| 118 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71 | -33.3 | 177.2 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | L8 F67 H71 I114 Q116 L121 L122 A159 | L8-T118 HydrophobicContact CD1-CG2 4.38Å; L8-T118 HydrophobicContact CD2-CG2 4Å; F67-T118 HydrophobicContact CE2-CG2 4.42Å; F67-T118 WeakPolarHBondContact CE2-OG1 3.41Å; H71-T118 PolarHBondContact CE1-OG1 3.33Å; H71-T118 PolarHBondContact NE2-OG1 3.15Å; I114-T118 VanDerWaalsContact O-CB 3.3Å; I114-T118 WeakPolarHBondContact O-CB 3.46Å; I114-T118 PolarHBondContact O-N 3.46Å; I114-T118 PolarHBondContact O-OG1 3.02Å; Q116-T118 VanDerWaalsContact C-N 3.27Å; Q116-T118 PolarHBondContact O-N 2.99Å; T118-L121 PolarHBondContact O-N 3.45Å; T118-L122 HydrophobicContact CG2-CD1 4.09Å; T118-L122 HydrophobicContact CG2-CG 4.38Å; T118-L122 WeakPolarHBondContact O-CB 2.94Å; T118-L122 WeakPolarHBondContact O-CG 2.97Å; T118-L122 PolarHBondContact O-N 3.3Å; T118-A159 HydrophobicContact CG2-CB 3.74Å |
| 119 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E115 Q116 L121 L122 A123 | E115-G119 PolarHBondContact O-N 3.47Å; Q116-G119 CarbonylContact O-C 3.5Å; Q116-G119 WeakPolarHBondContact O-CA 3.44Å; Q116-G119 PolarHBondContact O-N 2.92Å; G119-L121 VanDerWaalsContact C-N 3.35Å; G119-L121 PolarHBondContact O-N 2.93Å; G119-L122 PolarHBondContact O-N 2.86Å; G119-A123 VanDerWaalsContact O-CB 3.3Å; G119-A123 WeakPolarHBondContact O-CB 3.48Å; G119-A123 PolarHBondContact O-N 2.72Å |
| 120 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 175.5 | -37.8 | -164.9 | -174.1 | 0 | 0 | 111.3 | I39 L41 R46 I48 F112 Q116 V117 A123 K124 M608 | I39-M120 HydrophobicContact CG1-CB 4.34Å; I39-M120 HydrophobicContact CG2-SD 3.93Å; L41-M120 HydrophobicContact CD2-SD 4.19Å; R46-M120 VanDerWaalsContact NH1-CG 3.28Å; R46-M120 PolarHBondContact NH1-SD 3.5Å; I48-M120 HydrophobicContact CD1-CB 3.91Å; F112-M120 HydrophobicContact CD1-CE 3.5Å; F112-M120 HydrophobicContact CE1-CE 3.6Å; F112-M120 HydrophobicContact CG-CE 4.03Å; F112-M120 HydrophobicContact CZ-CE 4.19Å; Q116-M120 WeakPolarHBondContact O-CG 3.42Å; Q116-M120 PolarHBondContact O-N 3.04Å; V117-M120 PolarHBondContact O-N 3.08Å; M120-A123 PolarHBondContact O-N 3.34Å; M120-K124 PolarHBondContact O-N 3.34Å; M120-M608 HydrophobicContact CE-CE 3.91Å; M120-M608 HydrophobicContact CE-SD 4.25Å |
| 121 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.7 | 179.3 | 60.3 | 0 | 0 | 0 | 111.8 | L8 A37 I39 I48 F67 V117 T118 G119 A123 K124 L125 | L8-L121 HydrophobicContact CD1-CD2 4.02Å; A37-L121 HydrophobicContact CB-CD2 3.95Å; I39-L121 HydrophobicContact CD1-CB 4.22Å; I48-L121 HydrophobicContact CG2-CD1 4.04Å; F67-L121 HydrophobicContact CZ-CD2 3.86Å; V117-L121 PolarHBondContact O-N 2.66Å; T118-L121 PolarHBondContact O-N 3.45Å; G119-L121 VanDerWaalsContact C-N 3.35Å; G119-L121 PolarHBondContact O-N 2.93Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.01Å; L121-K124 PolarHBondContact O-N 2.86Å; L121-K124 VanDerWaalsContact O-N 3.16Å; L121-L125 HydrophobicContact CD1-CD1 4.36Å; L121-L125 HydrophobicContact CD1-CG 4.37Å; L121-L125 HydrophobicContact CG-CD1 4.11Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.19Å; L121-L125 PolarHBondContact O-N 3.44Å |
| 122 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.1 | -34.7 | 177.4 | -73.7 | 171.8 | 0 | 0 | 0 | 112.1 | I6 L8 T118 G119 L125 K126 I142 A159 A160 A163 L165 | I6-L122 HydrophobicContact CD1-CD2 4.04Å; I6-L122 HydrophobicContact CG2-CD2 4.28Å; L8-L122 HydrophobicContact CD1-CD2 4.25Å; T118-L122 HydrophobicContact CG2-CD1 4.09Å; T118-L122 HydrophobicContact CG2-CG 4.38Å; T118-L122 WeakPolarHBondContact O-CB 2.94Å; T118-L122 WeakPolarHBondContact O-CG 2.97Å; T118-L122 PolarHBondContact O-N 3.3Å; G119-L122 PolarHBondContact O-N 2.86Å; L122-L125 HydrophobicContact CD2-CD1 4.43Å; L122-L125 PolarHBondContact O-N 3.49Å; L122-K126 WeakPolarHBondContact O-CB 3.18Å; L122-K126 PolarHBondContact O-N 3.3Å; L122-I142 HydrophobicContact CD1-CD1 4.21Å; L122-I142 HydrophobicContact CD2-CD1 4.09Å; L122-A159 HydrophobicContact CD1-CB 4.01Å; L122-A160 HydrophobicContact CD1-CB 4.36Å; L122-A163 HydrophobicContact CB-CB 3.59Å; L122-L165 HydrophobicContact CB-CD1 4.24Å |
| 123 | A | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 18 Ų | 18 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | G119 M120 L121 K126 E127 A163 I609 | G119-A123 VanDerWaalsContact O-CB 3.3Å; G119-A123 WeakPolarHBondContact O-CB 3.48Å; G119-A123 PolarHBondContact O-N 2.72Å; M120-A123 PolarHBondContact O-N 3.34Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.01Å; A123-K126 WeakPolarHBondContact O-CB 3.31Å; A123-K126 PolarHBondContact O-N 3.26Å; A123-E127 PolarHBondContact O-N 3Å; A123-A163 HydrophobicContact CB-CB 4.21Å; A123-I609 HydrophobicContact CB-CD1 4.2Å |
| 124 | K | 97.8 | Very high | 97.2 | Very high | 28 Ų | 28 | 26.1 Ų | 26.1 | 12% | 0.122 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 173.6 | -178.2 | 60.2 | -174.4 | 179.7 | 0 | 113.1 | E29 I48 M120 L121 K126 E127 T128 | E29-K124 VanDerWaalsContact CD-NZ 3.3Å; E29-K124 WeakPolarHBondContact OE1-CE 3.16Å; E29-K124 IonicContact OE1-NZ 3.11Å; E29-K124 PolarHBondContact OE1-NZ 3.13Å; E29-K124 IonicContact OE2-NZ 3.45Å; E29-K124 PolarHBondContact OE2-NZ 2.92Å; I48-K124 HydrophobicContact CB-CB 4.12Å; I48-K124 HydrophobicContact CB-CG 4.05Å; I48-K124 HydrophobicContact CD1-CB 4.27Å; I48-K124 HydrophobicContact CG2-CB 3.62Å; I48-K124 HydrophobicContact CG2-CG 3.82Å; M120-K124 PolarHBondContact O-N 3.34Å; L121-K124 PolarHBondContact O-N 2.86Å; L121-K124 VanDerWaalsContact O-N 3.16Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-E127 VanDerWaalsContact CD-OE2 3.3Å; K124-E127 WeakPolarHBondContact CD-OE2 3.42Å; K124-E127 WeakPolarHBondContact CE-OE2 3.39Å; K124-E127 IonicContact NZ-OE2 3.89Å; K124-E127 PolarHBondContact NZ-OE2 3.07Å; K124-E127 PolarHBondContact O-N 3.34Å; K124-T128 PolarHBondContact O-N 3.41Å; K124-T128 PolarHBondContact O-OG1 3.14Å |
| 125 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -33.6 | 176.3 | -63.3 | 170.7 | 0 | 0 | 0 | 111.3 | I6 C13 I15 T35 L121 L122 S129 | I6-L125 HydrophobicContact CD1-CB 4.4Å; I6-L125 HydrophobicContact CG2-CD1 3.83Å; C13-L125 HydrophobicContact CB-CD1 3.8Å; C13-L125 HydrophobicContact CB-CD2 4.05Å; I15-L125 HydrophobicContact CD1-CB 3.98Å; I15-L125 HydrophobicContact CD1-CD2 3.75Å; I15-L125 HydrophobicContact CD1-CG 4.47Å; I15-L125 WeakPolarHBondContact CD1-O 3.34Å; I15-L125 HydrophobicContact CG1-CB 4.33Å; I15-L125 HydrophobicContact CG1-CD2 3.98Å; T35-L125 HydrophobicContact CG2-CD2 3.94Å; L121-L125 HydrophobicContact CD1-CD1 4.36Å; L121-L125 HydrophobicContact CD1-CG 4.37Å; L121-L125 HydrophobicContact CG-CD1 4.11Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.19Å; L121-L125 PolarHBondContact O-N 3.44Å; L122-L125 HydrophobicContact CD2-CD1 4.43Å; L122-L125 PolarHBondContact O-N 3.49Å; L125-S129 WeakPolarHBondContact O-CB 3.43Å; L125-S129 PolarHBondContact O-N 2.77Å; L125-S129 PolarHBondContact O-OG 3.36Å |
| 126 | K | 97.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 18% | 0.183 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -51.9 | 167.6 | 173.8 | -179.8 | 175 | 170 | 0 | 111.7 | L122 A123 K124 T128 S129 E130 V137 A163 G164 L165 | L122-K126 WeakPolarHBondContact O-CB 3.18Å; L122-K126 PolarHBondContact O-N 3.3Å; A123-K126 WeakPolarHBondContact O-CB 3.31Å; A123-K126 PolarHBondContact O-N 3.26Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K126-T128 VanDerWaalsContact C-N 3.28Å; K126-T128 PolarHBondContact O-N 3.04Å; K126-S129 CarbonylContact O-C 3.56Å; K126-S129 WeakPolarHBondContact O-CA 3.35Å; K126-S129 VanDerWaalsContact O-CB 3.31Å; K126-S129 WeakPolarHBondContact O-CB 3.42Å; K126-S129 PolarHBondContact O-N 3.33Å; K126-E130 WeakPolarHBondContact CE-OE1 3.46Å; K126-E130 HydrophobicContact CG-CG 4.33Å; K126-E130 WeakPolarHBondContact O-CG 3.28Å; K126-E130 PolarHBondContact O-N 2.93Å; K126-V137 WeakPolarHBondContact CE-O 3.49Å; K126-V137 HydrophobicContact CG-CB 4.34Å; K126-A163 PolarHBondContact NZ-O 3.3Å; K126-G164 PolarHBondContact NZ-O 2.63Å; K126-L165 HydrophobicContact CB-CD1 4.36Å; K126-L165 HydrophobicContact CB-CD2 4.21Å; K126-L165 HydrophobicContact CB-CG 4.49Å; K126-L165 HydrophobicContact CD-CD2 3.81Å; K126-L165 HydrophobicContact CD-CG 4.11Å; K126-L165 HydrophobicContact CG-CD2 4.09Å |
| 127 | E | 96.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 37 Ų | 37 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.1 | -44.4 | 177.6 | -166 | -133.9 | 155.1 | 0 | 0 | 111.5 | A123 K124 S129 E130 N131 | A123-E127 PolarHBondContact O-N 3Å; K124-E127 VanDerWaalsContact CD-OE2 3.3Å; K124-E127 WeakPolarHBondContact CD-OE2 3.42Å; K124-E127 WeakPolarHBondContact CE-OE2 3.39Å; K124-E127 IonicContact NZ-OE2 3.89Å; K124-E127 PolarHBondContact NZ-OE2 3.07Å; K124-E127 PolarHBondContact O-N 3.34Å; E127-S129 VanDerWaalsContact C-N 3.34Å; E127-S129 PolarHBondContact O-N 3.28Å; E127-E130 PolarHBondContact O-N 3.23Å; E127-N131 VanDerWaalsContact O-CB 3.27Å; E127-N131 WeakPolarHBondContact O-CB 3.5Å; E127-N131 PolarHBondContact O-N 3.42Å; E127-N131 PolarHBondContact O-ND2 3.01Å; E127-N131 VanDerWaalsContact O-ND2 3.16Å; E127-N131 PolarHBondContact OE1-ND2 2.88Å |
| 128 | T | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 174.7 | -55 | 0 | 0 | 0 | 0 | 111.8 | I15 I26 N28 K124 K126 N131 A132 | I15-T128 HydrophobicContact CD1-CG2 3.79Å; I26-T128 HydrophobicContact CD1-CG2 4.08Å; N28-T128 HydrophobicContact CB-CG2 4Å; K124-T128 PolarHBondContact O-N 3.41Å; K124-T128 PolarHBondContact O-OG1 3.14Å; K126-T128 VanDerWaalsContact C-N 3.28Å; K126-T128 PolarHBondContact O-N 3.04Å; T128-N131 PolarHBondContact O-N 3.13Å; T128-A132 WeakPolarHBondContact O-CB 3.47Å; T128-A132 PolarHBondContact O-N 3.12Å |
| 129 | S | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 177.8 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | I15 L125 K126 E127 A132 L133 | I15-S129 WeakPolarHBondContact CG2-OG 3.41Å; L125-S129 WeakPolarHBondContact O-CB 3.43Å; L125-S129 PolarHBondContact O-N 2.77Å; L125-S129 PolarHBondContact O-OG 3.36Å; K126-S129 CarbonylContact O-C 3.56Å; K126-S129 WeakPolarHBondContact O-CA 3.35Å; K126-S129 VanDerWaalsContact O-CB 3.31Å; K126-S129 WeakPolarHBondContact O-CB 3.42Å; K126-S129 PolarHBondContact O-N 3.33Å; E127-S129 VanDerWaalsContact C-N 3.34Å; E127-S129 PolarHBondContact O-N 3.28Å; S129-A132 PolarHBondContact O-N 2.88Å; S129-L133 WeakPolarHBondContact O-CB 3.23Å; S129-L133 WeakPolarHBondContact O-CG 3.11Å; S129-L133 PolarHBondContact O-N 2.88Å |
| 130 | E | 96.4 | Very high | 96.2 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 27% | 0.271 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.9 | -67.4 | -179.6 | 146.2 | 0 | 0 | 111 | K126 E127 A132 L133 K134 K135 P136 V137 | K126-E130 WeakPolarHBondContact CE-OE1 3.46Å; K126-E130 HydrophobicContact CG-CG 4.33Å; K126-E130 WeakPolarHBondContact O-CG 3.28Å; K126-E130 PolarHBondContact O-N 2.93Å; E127-E130 PolarHBondContact O-N 3.23Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.28Å; E130-L133 PolarHBondContact O-N 3.42Å; E130-K134 VanDerWaalsContact O-CA 3.31Å; E130-K134 WeakPolarHBondContact O-CA 3.37Å; E130-K134 PolarHBondContact O-N 2.88Å; E130-K135 WeakPolarHBondContact CA-O 3.31Å; E130-P136 WeakPolarHBondContact OE1-CA 3.19Å; E130-V137 HydrophobicContact CG-CB 3.72Å; E130-V137 HydrophobicContact CG-CG2 3.66Å; E130-V137 PolarHBondContact OE1-N 2.94Å |
| 131 | N | 95.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 40.8 Ų | 40.8 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -34.5 | 174.3 | -80.4 | -37.6 | 0 | 0 | 0 | 113.1 | E127 T128 K134 | E127-N131 VanDerWaalsContact O-CB 3.27Å; E127-N131 WeakPolarHBondContact O-CB 3.5Å; E127-N131 PolarHBondContact O-N 3.42Å; E127-N131 PolarHBondContact O-ND2 3.01Å; E127-N131 VanDerWaalsContact O-ND2 3.16Å; E127-N131 PolarHBondContact OE1-ND2 2.88Å; T128-N131 PolarHBondContact O-N 3.13Å; N131-K134 WeakPolarHBondContact O-CD 3.35Å; N131-K134 WeakPolarHBondContact O-CE 3.4Å; N131-K134 PolarHBondContact O-NZ 3.48Å |
| 132 | A | 94.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 20% | 0.198 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -82.6 | -28.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R19 I26 T128 S129 E130 | R19-A132 PolarHBondContact NH1-O 2.67Å; R19-A132 VanDerWaalsContact NH1-O 3.12Å; R19-A132 PolarHBondContact NH2-O 3.39Å; I26-A132 HydrophobicContact CB-CB 4.06Å; I26-A132 HydrophobicContact CD1-CB 3.6Å; I26-A132 HydrophobicContact CG1-CB 4.43Å; I26-A132 HydrophobicContact CG2-CB 3.93Å; T128-A132 WeakPolarHBondContact O-CB 3.47Å; T128-A132 PolarHBondContact O-N 3.12Å; S129-A132 PolarHBondContact O-N 2.88Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.28Å |
| 133 | L | 93.3 | Very high | 96.2 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -95.3 | -15.7 | 179.5 | -70.4 | 175.3 | 0 | 0 | 0 | 114 | V4 V17 S129 E130 K135 V137 | V4-L133 HydrophobicContact CG2-CD1 4.11Å; V17-L133 HydrophobicContact CB-CD1 4.33Å; V17-L133 HydrophobicContact CB-CD2 4.03Å; V17-L133 HydrophobicContact CB-CG 4.42Å; V17-L133 HydrophobicContact CG1-CD1 4.11Å; V17-L133 HydrophobicContact CG1-CD2 4.44Å; V17-L133 HydrophobicContact CG1-CG 4.29Å; V17-L133 HydrophobicContact CG2-CD2 3.85Å; S129-L133 WeakPolarHBondContact O-CB 3.23Å; S129-L133 WeakPolarHBondContact O-CG 3.11Å; S129-L133 PolarHBondContact O-N 2.88Å; E130-L133 PolarHBondContact O-N 3.42Å; L133-K135 HydrophobicContact CB-CB 4.46Å; L133-K135 PolarHBondContact O-N 3.02Å; L133-V137 HydrophobicContact CD1-CG2 4.19Å |
| 134 | K | 94 | Very high | 96.2 | Very high | 170 Ų | 170 | 40.2 Ų | 40.2 | 74% | 0.739 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.8 | -171.1 | -53.9 | -55.4 | -176.5 | -161.5 | 0 | 113 | E130 N131 | E130-K134 VanDerWaalsContact O-CA 3.31Å; E130-K134 WeakPolarHBondContact O-CA 3.37Å; E130-K134 PolarHBondContact O-N 2.88Å; N131-K134 WeakPolarHBondContact O-CD 3.35Å; N131-K134 WeakPolarHBondContact O-CE 3.4Å; N131-K134 PolarHBondContact O-NZ 3.48Å |
| 135 | K | 92.5 | Very high | 96.1 | Very high | 140 Ų | 140 | 39.1 Ų | 39.1 | 61% | 0.609 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -148.9 | 148.8 | -176.1 | -68.6 | 176.6 | -174.3 | 173.8 | 0 | 109.5 | E130 L133 | E130-K135 WeakPolarHBondContact CA-O 3.31Å; L133-K135 HydrophobicContact CB-CB 4.46Å; L133-K135 PolarHBondContact O-N 3.02Å |
| 136 | P | 94.3 | Very high | 95.9 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 68% | 0.682 | 21% | 0.205 | S | C | * | . | trans | -63.4 | 152 | 176.2 | 27.4 | -35.3 | 0 | 0 | 0 | 112.3 | S2 E130 | S2-P136 PolarHBondContact OG-O 3.47Å; E130-P136 WeakPolarHBondContact OE1-CA 3.19Å | ||
| 137 | V | 95.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | trans | -123 | 104.7 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | V4 K126 E130 L133 L165 | V4-V137 HydrophobicContact CB-CG1 4.27Å; V4-V137 HydrophobicContact CG2-CB 4.46Å; V4-V137 HydrophobicContact CG2-CG1 3.67Å; V4-V137 HydrophobicContact CG2-CG2 3.86Å; K126-V137 WeakPolarHBondContact CE-O 3.49Å; K126-V137 HydrophobicContact CG-CB 4.34Å; E130-V137 HydrophobicContact CG-CB 3.72Å; E130-V137 HydrophobicContact CG-CG2 3.66Å; E130-V137 PolarHBondContact OE1-N 2.94Å; L133-V137 HydrophobicContact CD1-CG2 4.19Å; V137-L165 HydrophobicContact CG1-CD2 3.97Å | ||
| 138 | A | 93.5 | Very high | 95.7 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | trans | -97.4 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | L165 N166 | A138-L165 CarbonylContact O-C 3.44Å; A138-L165 WeakPolarHBondContact O-CA 3.46Å; A138-N166 PolarHBondContact O-N 3Å | ||
| 139 | D | 95.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141 | -171.9 | -51.5 | -76.5 | 0 | 0 | 0 | 112.4 | M1 N166 L168 | M1-D139 HydrophobicContact CG-CB 4.27Å; M1-D139 WeakPolarHBondContact CG-OD2 3.44Å; M1-D139 HydrophobicContact SD-CB 4.45Å; D139-N166 WeakPolarHBondContact CA-O 3.36Å; D139-N166 PolarHBondContact OD1-ND2 3Å; D139-L168 HydrophobicContact CB-CD1 3.93Å; D139-L168 HydrophobicContact CB-CD2 4.32Å; D139-L168 HydrophobicContact CB-CG 4.04Å |
| 140 | C | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 168.6 | 175.4 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | V4 I6 N166 L168 | V4-C140 HydrophobicContact CB-CB 4.42Å; V4-C140 VanDerWaalsContact O-CA 3.32Å; V4-C140 WeakPolarHBondContact O-CA 3.49Å; I6-C140 HydrophobicContact CD1-CB 4.45Å; C140-N166 PolarHBondContact N-O 2.79Å; C140-L168 PolarHBondContact O-N 2.85Å |
| 141 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.7 | 164.4 | 169.5 | 0 | 0 | 0 | 0 | 108 | V4 G5 I6 L168 R169 M171 C376 Q379 C380 L383 | V4-V141 PolarHBondContact O-N 2.88Å; G5-V141 WeakPolarHBondContact CA-O 3.32Å; I6-V141 PolarHBondContact N-O 3.39Å; V141-L168 HydrophobicContact CG2-CB 4.25Å; V141-R169 WeakPolarHBondContact CA-O 3.26Å; V141-R169 HydrophobicContact CG1-CB 4.45Å; V141-R169 WeakPolarHBondContact CG1-O 3.31Å; V141-R169 HydrophobicContact CG2-CB 4.2Å; V141-M171 HydrophobicContact CG1-CB 3.96Å; V141-M171 HydrophobicContact CG1-SD 4.41Å; V141-C376 HydrophobicContact CB-CB 4.26Å; V141-C376 WeakPolarHBondContact CB-O 3.45Å; V141-C376 HydrophobicContact CG1-CB 3.84Å; V141-Q379 HydrophobicContact CG1-CB 4.23Å; V141-Q379 HydrophobicContact CG1-CG 4.08Å; V141-Q379 HydrophobicContact CG2-CG 4.16Å; V141-C380 HydrophobicContact CB-CB 4.1Å; V141-C380 HydrophobicContact CG2-CB 3.67Å; V141-L383 HydrophobicContact CG2-CD1 4.31Å |
| 142 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134 | -173 | -54 | 177.1 | 0 | 0 | 0 | 109.7 | I6 L8 L122 V156 A160 C167 R169 L170 M171 | I6-I142 HydrophobicContact CB-CG1 4.49Å; I6-I142 CarbonylContact O-C 3.42Å; I6-I142 WeakPolarHBondContact O-CA 3.27Å; L8-I142 HydrophobicContact CB-CG2 3.91Å; L8-I142 HydrophobicContact CD2-CG2 3.99Å; L122-I142 HydrophobicContact CD1-CD1 4.21Å; L122-I142 HydrophobicContact CD2-CD1 4.09Å; I142-V156 HydrophobicContact CG2-CG1 4.22Å; I142-A160 HydrophobicContact CD1-CB 3.76Å; I142-C167 HydrophobicContact CD1-CB 4.35Å; I142-R169 PolarHBondContact N-O 3.28Å; I142-L170 HydrophobicContact CB-CD2 4.2Å; I142-M171 PolarHBondContact O-N 3.22Å |
| 143 | S | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 146.1 | 173.6 | 82.5 | 0 | 0 | 0 | 0 | 112 | I6 D7 L8 M171 V372 | I6-S143 PolarHBondContact O-N 3.15Å; D7-S143 VanDerWaalsContact CA-OG 3.3Å; D7-S143 WeakPolarHBondContact CA-OG 3.32Å; D7-S143 WeakPolarHBondContact OD1-CB 3.28Å; D7-S143 PolarHBondContact OD1-OG 2.86Å; L8-S143 PolarHBondContact N-OG 3.32Å; S143-M171 CarbonylContact C-O 3.58Å; S143-M171 WeakPolarHBondContact CA-O 3.26Å; S143-V372 VanDerWaalsContact CB-CG1 3.45Å |
| 144 | I | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.3 | 169.2 | 48.2 | 164.3 | 0 | 0 | 0 | 110.5 | S146 F148 R153 V156 L170 M171 N172 E173 | I144-S146 PolarHBondContact O-N 3.04Å; I144-F148 HydrophobicContact CB-CD2 4.01Å; I144-F148 HydrophobicContact CB-CG 4.49Å; I144-F148 HydrophobicContact CG2-CD2 3.93Å; I144-F148 HydrophobicContact CG2-CE2 4.27Å; I144-R153 HydrophobicContact CD1-CG 3.69Å; I144-R153 VanDerWaalsContact CD1-NH1 3.3Å; I144-V156 HydrophobicContact CG2-CB 4.33Å; I144-V156 HydrophobicContact CG2-CG1 4.06Å; I144-V156 HydrophobicContact CG2-CG2 4.07Å; I144-L170 HydrophobicContact CD1-CB 3.76Å; I144-L170 HydrophobicContact CD1-CD1 4.12Å; I144-L170 HydrophobicContact CD1-CG 4.46Å; I144-L170 HydrophobicContact CG1-CB 4.19Å; I144-L170 HydrophobicContact CG2-CD2 4.27Å; I144-M171 PolarHBondContact N-O 2.93Å; I144-N172 CarbonylContact O-C 3.56Å; I144-N172 WeakPolarHBondContact O-CA 3.33Å; I144-E173 VanDerWaalsContact O-CG 3.31Å; I144-E173 WeakPolarHBondContact O-CG 3.28Å; I144-E173 PolarHBondContact O-N 3.28Å |
| 145 | P | 96.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | trans | -62.4 | 141.1 | 173.1 | -20 | 33 | 0 | 0 | 0 | 110.3 | F147 F148 E173 | P145-F147 HydrophobicContact CB-CD1 3.76Å; P145-F147 HydrophobicContact CB-CD2 4.22Å; P145-F147 HydrophobicContact CB-CE1 3.38Å; P145-F147 HydrophobicContact CB-CE2 3.87Å; P145-F147 HydrophobicContact CB-CG 4.16Å; P145-F147 HydrophobicContact CB-CZ 3.43Å; P145-F147 VanDerWaalsContact CB-CZ 3.43Å; P145-F147 HydrophobicContact CG-CE1 4.33Å; P145-F147 HydrophobicContact CG-CE2 4.38Å; P145-F147 HydrophobicContact CG-CZ 3.97Å; P145-F147 PolarHBondContact O-N 3.04Å; P145-F147 VanDerWaalsContact O-N 3.17Å; P145-F148 HydrophobicContact CB-CD1 3.93Å; P145-F148 HydrophobicContact CB-CE1 4.25Å; P145-F148 HydrophobicContact CG-CD1 3.76Å; P145-F148 HydrophobicContact CG-CE1 3.61Å; P145-F148 HydrophobicContact CG-CG 4.41Å; P145-F148 HydrophobicContact CG-CZ 4.12Å; P145-F148 WeakPolarHBondContact O-CB 3.2Å; P145-F148 PolarHBondContact O-N 3.32Å; P145-E173 VanDerWaalsContact CA-OE2 3.23Å; P145-E173 WeakPolarHBondContact CA-OE2 2.82Å; P145-E173 VanDerWaalsContact CD-OE1 3.26Å; P145-E173 WeakPolarHBondContact CD-OE1 3.43Å; P145-E173 VanDerWaalsContact N-CD 3.3Å; P145-E173 VanDerWaalsContact N-OE1 3.15Å | ||
| 146 | S | 94.3 | Very high | 96 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.1 | 179 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | I144 F148 R153 Q209 T225 P399 | I144-S146 PolarHBondContact O-N 3.04Å; S146-F148 VanDerWaalsContact C-N 3.29Å; S146-F148 PolarHBondContact O-N 3.36Å; S146-R153 PolarHBondContact O-NH2 3.43Å; S146-Q209 PolarHBondContact OG-OE1 3.23Å; S146-T225 WeakPolarHBondContact OG-CG2 3.31Å; S146-P399 WeakPolarHBondContact O-CG 3.42Å |
| 147 | F | 94.6 | Very high | 96.1 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 5% | 0.048 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 0.8 | 179.3 | 62.8 | -100.8 | 0 | 0 | 0 | 115.7 | P145 T149 A207 Q209 F227 P229 Y400 P453 | P145-F147 HydrophobicContact CB-CD1 3.76Å; P145-F147 HydrophobicContact CB-CD2 4.22Å; P145-F147 HydrophobicContact CB-CE1 3.38Å; P145-F147 HydrophobicContact CB-CE2 3.87Å; P145-F147 HydrophobicContact CB-CG 4.16Å; P145-F147 HydrophobicContact CB-CZ 3.43Å; P145-F147 VanDerWaalsContact CB-CZ 3.43Å; P145-F147 HydrophobicContact CG-CE1 4.33Å; P145-F147 HydrophobicContact CG-CE2 4.38Å; P145-F147 HydrophobicContact CG-CZ 3.97Å; P145-F147 PolarHBondContact O-N 3.04Å; P145-F147 VanDerWaalsContact O-N 3.17Å; F147-T149 PolarHBondContact O-N 3.08Å; F147-A207 HydrophobicContact CE1-CB 3.64Å; F147-A207 HydrophobicContact CZ-CB 3.61Å; F147-Q209 HydrophobicContact CD1-CG 4.29Å; F147-Q209 HydrophobicContact CE1-CG 4.11Å; F147-F227 HydrophobicContact CB-CD1 3.78Å; F147-F227 HydrophobicContact CB-CD2 3.6Å; F147-F227 HydrophobicContact CB-CE1 3.75Å; F147-F227 HydrophobicContact CB-CE2 3.56Å; F147-F227 HydrophobicContact CB-CG 3.72Å; F147-F227 HydrophobicContact CB-CZ 3.65Å; F147-F227 HydrophobicContact CD1-CB 3.89Å; F147-F227 HydrophobicContact CD1-CD1 4.41Å; F147-F227 HydrophobicContact CD1-CD2 4.21Å; F147-F227 AromaticContact CD1-CG 3.9Å; F147-F227 HydrophobicContact CD1-CG 3.9Å; F147-F227 HydrophobicContact CG-CD2 4.15Å; F147-F227 HydrophobicContact CG-CG 4.2Å; F147-P229 HydrophobicContact CD1-CB 4.32Å; F147-P229 HydrophobicContact CD2-CB 3.9Å; F147-P229 HydrophobicContact CE1-CB 4.06Å; F147-P229 HydrophobicContact CE2-CB 3.63Å; F147-P229 HydrophobicContact CG-CB 4.25Å; F147-P229 HydrophobicContact CZ-CB 3.71Å; F147-Y400 WeakPolarHBondContact CA-OH 3.25Å; F147-Y400 WeakPolarHBondContact CB-OH 3.44Å; F147-Y400 PolarHBondContact O-OH 3.18Å; F147-P453 HydrophobicContact CD2-CG 4.35Å |
| 148 | F | 95.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 10.7 Ų | 10.7 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | trans | -62.9 | 129.3 | 174.6 | -91.4 | 20.4 | 0 | 0 | 0 | 110.9 | K68 I144 P145 S146 E152 R153 V156 | K68-F148 HydrophobicContact CG-CZ 4.04Å; I144-F148 HydrophobicContact CB-CD2 4.01Å; I144-F148 HydrophobicContact CB-CG 4.49Å; I144-F148 HydrophobicContact CG2-CD2 3.93Å; I144-F148 HydrophobicContact CG2-CE2 4.27Å; P145-F148 HydrophobicContact CB-CD1 3.93Å; P145-F148 HydrophobicContact CB-CE1 4.25Å; P145-F148 HydrophobicContact CG-CD1 3.76Å; P145-F148 HydrophobicContact CG-CE1 3.61Å; P145-F148 HydrophobicContact CG-CG 4.41Å; P145-F148 HydrophobicContact CG-CZ 4.12Å; P145-F148 WeakPolarHBondContact O-CB 3.2Å; P145-F148 PolarHBondContact O-N 3.32Å; S146-F148 VanDerWaalsContact C-N 3.29Å; S146-F148 PolarHBondContact O-N 3.36Å; F148-E152 HydrophobicContact CB-CB 3.99Å; F148-E152 HydrophobicContact CD1-CB 4.35Å; F148-E152 HydrophobicContact CD2-CB 3.74Å; F148-E152 HydrophobicContact CE2-CB 4.22Å; F148-E152 HydrophobicContact CG-CB 3.8Å; F148-R153 HydrophobicContact CB-CG 4.12Å; F148-R153 PolarHBondContact O-NE 3.02Å; F148-R153 PolarHBondContact O-NH2 2.83Å; F148-V156 HydrophobicContact CD2-CG2 4.31Å; F148-V156 HydrophobicContact CE2-CG2 3.9Å | ||
| 149 | T | 94.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 4% | 0.042 | C | C | . | . | trans | -70.3 | 171.6 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | F147 A151 E152 R153 Y400 Y446 V452 Y454 | F147-T149 PolarHBondContact O-N 3.08Å; T149-A151 VanDerWaalsContact C-N 3.28Å; T149-A151 PolarHBondContact O-N 2.84Å; T149-E152 WeakPolarHBondContact CB-OE2 3.44Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.29Å; T149-E152 PolarHBondContact N-OE2 3.17Å; T149-E152 PolarHBondContact O-N 3.39Å; T149-E152 WeakPolarHBondContact OG1-CG 3.4Å; T149-E152 PolarHBondContact OG1-N 3.21Å; T149-E152 PolarHBondContact OG1-OE2 2.69Å; T149-R153 WeakPolarHBondContact O-CB 3.21Å; T149-R153 WeakPolarHBondContact O-CG 3.46Å; T149-R153 PolarHBondContact O-N 2.81Å; T149-Y400 HydrophobicContact CG2-CE2 4.15Å; T149-Y446 HydrophobicContact CG2-CE2 4.28Å; T149-V452 HydrophobicContact CG2-CG1 3.61Å; T149-Y454 HydrophobicContact CG2-CD2 4.3Å; T149-Y454 HydrophobicContact CG2-CG 4.06Å | ||
| 150 | D | 94.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 6.9 Ų | 6.9 | 4% | 0.037 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 176.9 | -172.9 | -93.5 | 0 | 0 | 0 | 111.8 | R153 R154 Y446 I459 I489 F490 | D150-R153 PolarHBondContact O-N 2.88Å; D150-R154 VanDerWaalsContact CG-NH2 3.34Å; D150-R154 VanDerWaalsContact O-CG 3.31Å; D150-R154 WeakPolarHBondContact O-CG 3.44Å; D150-R154 PolarHBondContact O-N 3.49Å; D150-R154 IonicContact OD1-CZ 3.82Å; D150-R154 IonicContact OD1-NE 3.93Å; D150-R154 PolarHBondContact OD1-NE 2.93Å; D150-R154 IonicContact OD1-NH2 2.77Å; D150-R154 PolarHBondContact OD1-NH2 3.48Å; D150-R154 IonicContact OD2-CZ 3.43Å; D150-R154 IonicContact OD2-NH2 3.74Å; D150-R154 PolarHBondContact OD2-NH2 3.49Å; D150-R154 VanDerWaalsContact OD2-NH2 3.15Å; D150-Y446 VanDerWaalsContact CB-OH 3.32Å; D150-Y446 WeakPolarHBondContact CB-OH 3.23Å; D150-Y446 PolarHBondContact N-OH 2.67Å; D150-I459 HydrophobicContact CB-CG2 4.04Å; D150-I459 WeakPolarHBondContact OD1-CG2 3.46Å; D150-I489 WeakPolarHBondContact OD2-CA 3.41Å; D150-I489 WeakPolarHBondContact OD2-CG2 3.38Å; D150-F490 PolarHBondContact OD2-N 2.79Å |
| 151 | A | 94.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 10.7 Ų | 10.7 | 9% | 0.091 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T149 R153 R154 S155 | T149-A151 VanDerWaalsContact C-N 3.28Å; T149-A151 PolarHBondContact O-N 2.84Å; A151-R153 VanDerWaalsContact C-N 3.33Å; A151-R153 PolarHBondContact O-N 2.65Å; A151-R154 PolarHBondContact O-N 3.48Å; A151-S155 WeakPolarHBondContact O-CB 3.49Å; A151-S155 PolarHBondContact O-N 3.1Å |
| 152 | E | 95.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 174.9 | -75 | 160.3 | 136.9 | 0 | 0 | 111.4 | H71 R73 F148 T149 S155 V156 Y454 | H71-E152 HydrophobicContact CB-CG 4.4Å; H71-E152 VanDerWaalsContact O-CG 3.26Å; H71-E152 WeakPolarHBondContact O-CG 3.39Å; R73-E152 IonicContact CZ-OE1 3.2Å; R73-E152 IonicContact NE-OE1 2.74Å; R73-E152 PolarHBondContact NE-OE1 3.04Å; R73-E152 IonicContact NH2-OE1 2.85Å; R73-E152 PolarHBondContact NH2-OE1 3.14Å; F148-E152 HydrophobicContact CB-CB 3.99Å; F148-E152 HydrophobicContact CD1-CB 4.35Å; F148-E152 HydrophobicContact CD2-CB 3.74Å; F148-E152 HydrophobicContact CE2-CB 4.22Å; F148-E152 HydrophobicContact CG-CB 3.8Å; T149-E152 WeakPolarHBondContact CB-OE2 3.44Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.29Å; T149-E152 PolarHBondContact N-OE2 3.17Å; T149-E152 PolarHBondContact O-N 3.39Å; T149-E152 WeakPolarHBondContact OG1-CG 3.4Å; T149-E152 PolarHBondContact OG1-N 3.21Å; T149-E152 PolarHBondContact OG1-OE2 2.69Å; E152-S155 WeakPolarHBondContact O-CB 3.34Å; E152-S155 PolarHBondContact O-N 3.45Å; E152-V156 PolarHBondContact O-N 3.37Å; E152-V156 VanDerWaalsContact O-N 3.08Å; E152-Y454 HydrophobicContact CG-CE2 4.47Å |
| 153 | R | 96.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 3% | 0.03 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 174.9 | -71.8 | 170.9 | -173.2 | -94.6 | -10.5 | 111.9 | I144 S146 F148 T149 D150 A151 S155 V156 M157 L170 N172 H487 I489 | I144-R153 HydrophobicContact CD1-CG 3.69Å; I144-R153 VanDerWaalsContact CD1-NH1 3.3Å; S146-R153 PolarHBondContact O-NH2 3.43Å; F148-R153 HydrophobicContact CB-CG 4.12Å; F148-R153 PolarHBondContact O-NE 3.02Å; F148-R153 PolarHBondContact O-NH2 2.83Å; T149-R153 WeakPolarHBondContact O-CB 3.21Å; T149-R153 WeakPolarHBondContact O-CG 3.46Å; T149-R153 PolarHBondContact O-N 2.81Å; D150-R153 PolarHBondContact O-N 2.88Å; A151-R153 VanDerWaalsContact C-N 3.33Å; A151-R153 PolarHBondContact O-N 2.65Å; R153-S155 VanDerWaalsContact C-N 3.35Å; R153-S155 PolarHBondContact O-N 2.85Å; R153-V156 PolarHBondContact O-N 3.14Å; R153-M157 WeakPolarHBondContact O-CG 3.36Å; R153-M157 PolarHBondContact O-N 3.43Å; R153-M157 VanDerWaalsContact O-N 3.09Å; R153-L170 HydrophobicContact CB-CD1 3.91Å; R153-L170 HydrophobicContact CG-CD1 4.31Å; R153-L170 WeakPolarHBondContact O-CD1 3.45Å; R153-N172 PolarHBondContact NH1-OD1 3.01Å; R153-N172 VanDerWaalsContact NH1-OD1 3.13Å; R153-N172 PolarHBondContact NH2-OD1 3.28Å; R153-H487 WeakPolarHBondContact CD-O 3.4Å; R153-H487 PolarHBondContact NH1-O 3.46Å; R153-I489 HydrophobicContact CB-CD1 3.95Å; R153-I489 HydrophobicContact CB-CG1 3.72Å |
| 154 | R | 96 | Very high | 96.6 | Very high | 34 Ų | 34 | 13.3 Ų | 13.3 | 13% | 0.128 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 174.9 | -72.6 | 176.6 | -155.8 | -81.8 | -10.4 | 112.3 | D150 A151 M157 A158 I489 F490 | D150-R154 VanDerWaalsContact CG-NH2 3.34Å; D150-R154 VanDerWaalsContact O-CG 3.31Å; D150-R154 WeakPolarHBondContact O-CG 3.44Å; D150-R154 PolarHBondContact O-N 3.49Å; D150-R154 IonicContact OD1-CZ 3.82Å; D150-R154 IonicContact OD1-NE 3.93Å; D150-R154 PolarHBondContact OD1-NE 2.93Å; D150-R154 IonicContact OD1-NH2 2.77Å; D150-R154 PolarHBondContact OD1-NH2 3.48Å; D150-R154 IonicContact OD2-CZ 3.43Å; D150-R154 IonicContact OD2-NH2 3.74Å; D150-R154 PolarHBondContact OD2-NH2 3.49Å; D150-R154 VanDerWaalsContact OD2-NH2 3.15Å; A151-R154 PolarHBondContact O-N 3.48Å; R154-M157 PolarHBondContact O-N 2.99Å; R154-A158 PolarHBondContact O-N 3.35Å; R154-I489 HydrophobicContact CG-CD1 4.28Å; R154-I489 VanDerWaalsContact NH2-CG2 3.25Å; R154-F490 PolarHBondContact NH2-O 3.41Å |
| 155 | S | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 3% | 0.028 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 112 | H71 G72 E115 A151 E152 R153 A158 A159 | H71-S155 PolarHBondContact ND1-OG 3Å; G72-S155 VanDerWaalsContact N-CB 3.32Å; G72-S155 PolarHBondContact N-OG 3.19Å; G72-S155 VanDerWaalsContact N-OG 3.1Å; E115-S155 VanDerWaalsContact CD-OG 3.28Å; E115-S155 VanDerWaalsContact OE1-CB 3.3Å; E115-S155 WeakPolarHBondContact OE1-CB 3.46Å; E115-S155 PolarHBondContact OE1-OG 3.22Å; A151-S155 WeakPolarHBondContact O-CB 3.49Å; A151-S155 PolarHBondContact O-N 3.1Å; E152-S155 WeakPolarHBondContact O-CB 3.34Å; E152-S155 PolarHBondContact O-N 3.45Å; R153-S155 VanDerWaalsContact C-N 3.35Å; R153-S155 PolarHBondContact O-N 2.85Å; S155-A158 PolarHBondContact O-N 3.46Å; S155-A159 PolarHBondContact O-N 2.71Å |
| 156 | V | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | L8 I142 I144 F148 E152 R153 A158 A159 A160 L170 | L8-V156 HydrophobicContact CD2-CG1 4.05Å; I142-V156 HydrophobicContact CG2-CG1 4.22Å; I144-V156 HydrophobicContact CG2-CB 4.33Å; I144-V156 HydrophobicContact CG2-CG1 4.06Å; I144-V156 HydrophobicContact CG2-CG2 4.07Å; F148-V156 HydrophobicContact CD2-CG2 4.31Å; F148-V156 HydrophobicContact CE2-CG2 3.9Å; E152-V156 PolarHBondContact O-N 3.37Å; E152-V156 VanDerWaalsContact O-N 3.08Å; R153-V156 PolarHBondContact O-N 3.14Å; V156-A158 VanDerWaalsContact C-N 3.35Å; V156-A158 PolarHBondContact O-N 3.36Å; V156-A159 PolarHBondContact O-N 3.28Å; V156-A160 PolarHBondContact O-N 2.9Å; V156-L170 HydrophobicContact CB-CD2 4.36Å; V156-L170 HydrophobicContact CG1-CD2 3.77Å |
| 157 | M | 97.4 | Very high | 96.7 | Very high | 43 Ų | 43 | 18 Ų | 18 | 21% | 0.212 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.4 | -35.6 | 174.7 | -63.8 | -138.7 | -53.2 | 0 | 0 | 112.9 | R153 R154 A160 Q161 L170 H487 I489 | R153-M157 WeakPolarHBondContact O-CG 3.36Å; R153-M157 PolarHBondContact O-N 3.43Å; R153-M157 VanDerWaalsContact O-N 3.09Å; R154-M157 PolarHBondContact O-N 2.99Å; M157-A160 PolarHBondContact O-N 2.98Å; M157-Q161 PolarHBondContact O-N 2.86Å; M157-Q161 VanDerWaalsContact O-N 3.17Å; M157-L170 HydrophobicContact CG-CD1 3.49Å; M157-L170 VanDerWaalsContact CG-CD1 3.49Å; M157-L170 HydrophobicContact CG-CD2 4.31Å; M157-L170 HydrophobicContact CG-CG 3.89Å; M157-L170 HydrophobicContact SD-CD1 4.2Å; M157-L170 HydrophobicContact SD-CG 4.28Å; M157-H487 HydrophobicContact SD-CB 4.47Å; M157-H487 PolarHBondContact SD-ND1 2.88Å; M157-H487 VanDerWaalsContact SD-ND1 3.37Å; M157-I489 HydrophobicContact CE-CD1 3.71Å; M157-I489 HydrophobicContact CG-CD1 4.33Å; M157-I489 HydrophobicContact SD-CD1 4.12Å |
| 158 | A | 97.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 7% | 0.074 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | E115 R154 S155 V156 A160 Q161 V162 L593 L598 | E115-A158 HydrophobicContact CB-CB 4.48Å; E115-A158 HydrophobicContact CG-CB 3.96Å; R154-A158 PolarHBondContact O-N 3.35Å; S155-A158 PolarHBondContact O-N 3.46Å; V156-A158 VanDerWaalsContact C-N 3.35Å; V156-A158 PolarHBondContact O-N 3.36Å; A158-A160 VanDerWaalsContact C-N 3.3Å; A158-A160 PolarHBondContact O-N 3.41Å; A158-Q161 PolarHBondContact O-N 3.25Å; A158-Q161 VanDerWaalsContact O-N 3.1Å; A158-V162 WeakPolarHBondContact O-CG2 3.27Å; A158-V162 PolarHBondContact O-N 2.89Å; A158-L593 HydrophobicContact CB-CD1 4.15Å; A158-L598 HydrophobicContact CB-CD1 4.1Å |
| 159 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E115 T118 L122 S155 V156 V162 A163 | E115-A159 WeakPolarHBondContact O-CA 3.12Å; E115-A159 WeakPolarHBondContact O-CB 3.28Å; T118-A159 HydrophobicContact CG2-CB 3.74Å; L122-A159 HydrophobicContact CD1-CB 4.01Å; S155-A159 PolarHBondContact O-N 2.71Å; V156-A159 PolarHBondContact O-N 3.28Å; A159-V162 PolarHBondContact O-N 3.16Å; A159-A163 PolarHBondContact O-N 3.39Å; A159-A163 VanDerWaalsContact O-N 3.12Å |
| 160 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L122 I142 V156 M157 A158 A163 G164 L165 C167 | L122-A160 HydrophobicContact CD1-CB 4.36Å; I142-A160 HydrophobicContact CD1-CB 3.76Å; V156-A160 PolarHBondContact O-N 2.9Å; M157-A160 PolarHBondContact O-N 2.98Å; A158-A160 VanDerWaalsContact C-N 3.3Å; A158-A160 PolarHBondContact O-N 3.41Å; A160-A163 PolarHBondContact O-N 3.07Å; A160-G164 PolarHBondContact O-N 3.1Å; A160-L165 CarbonylContact C-O 3.08Å; A160-L165 HydrophobicContact CB-CB 4.38Å; A160-L165 WeakPolarHBondContact O-CB 3.32Å; A160-L165 PolarHBondContact O-N 3.35Å; A160-C167 HydrophobicContact CB-CB 4.01Å |
| 161 | Q | 98.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 19.4 Ų | 19.4 | 37% | 0.374 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 175.1 | -68.6 | -179.7 | 40.2 | 0 | 0 | 112.1 | M157 A158 A163 G164 L598 I602 | M157-Q161 PolarHBondContact O-N 2.86Å; M157-Q161 VanDerWaalsContact O-N 3.17Å; A158-Q161 PolarHBondContact O-N 3.25Å; A158-Q161 VanDerWaalsContact O-N 3.1Å; Q161-A163 VanDerWaalsContact C-N 3.29Å; Q161-A163 PolarHBondContact O-N 3.2Å; Q161-G164 PolarHBondContact O-N 3.43Å; Q161-L598 HydrophobicContact CB-CD1 4.46Å; Q161-L598 HydrophobicContact CB-CD2 4.42Å; Q161-I602 WeakPolarHBondContact O-CG1 3.5Å |
| 162 | V | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.03 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 112 | A158 A159 G164 L598 I602 E605 | A158-V162 WeakPolarHBondContact O-CG2 3.27Å; A158-V162 PolarHBondContact O-N 2.89Å; A159-V162 PolarHBondContact O-N 3.16Å; V162-G164 PolarHBondContact O-N 3.05Å; V162-L598 HydrophobicContact CG2-CD1 3.75Å; V162-I602 HydrophobicContact CG2-CG1 4.5Å; V162-E605 HydrophobicContact CG1-CB 3.77Å; V162-E605 HydrophobicContact CG1-CG 4.14Å |
| 163 | A | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 7% | 0.066 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L122 A123 K126 A159 A160 Q161 L165 | L122-A163 HydrophobicContact CB-CB 3.59Å; A123-A163 HydrophobicContact CB-CB 4.21Å; K126-A163 PolarHBondContact NZ-O 3.3Å; A159-A163 PolarHBondContact O-N 3.39Å; A159-A163 VanDerWaalsContact O-N 3.12Å; A160-A163 PolarHBondContact O-N 3.07Å; Q161-A163 VanDerWaalsContact C-N 3.29Å; Q161-A163 PolarHBondContact O-N 3.2Å; A163-L165 HydrophobicContact CB-CD1 4.16Å; A163-L165 HydrophobicContact CB-CG 4.26Å |
| 164 | G | 96.7 | Very high | 97.2 | Very high | 42 Ų | 42 | 19.3 Ų | 19.3 | 43% | 0.433 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 42.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K126 A160 Q161 V162 | K126-G164 PolarHBondContact NZ-O 2.63Å; A160-G164 PolarHBondContact O-N 3.1Å; Q161-G164 PolarHBondContact O-N 3.43Å; V162-G164 PolarHBondContact O-N 3.05Å |
| 165 | L | 97.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | trans | -116.3 | 130.1 | 175.2 | -71.6 | 172.8 | 0 | 0 | 0 | 111.2 | I6 L122 K126 V137 A138 A160 A163 C167 | I6-L165 HydrophobicContact CD1-CD1 4.22Å; L122-L165 HydrophobicContact CB-CD1 4.24Å; K126-L165 HydrophobicContact CB-CD1 4.36Å; K126-L165 HydrophobicContact CB-CD2 4.21Å; K126-L165 HydrophobicContact CB-CG 4.49Å; K126-L165 HydrophobicContact CD-CD2 3.81Å; K126-L165 HydrophobicContact CD-CG 4.11Å; K126-L165 HydrophobicContact CG-CD2 4.09Å; V137-L165 HydrophobicContact CG1-CD2 3.97Å; A138-L165 CarbonylContact O-C 3.44Å; A138-L165 WeakPolarHBondContact O-CA 3.46Å; A160-L165 CarbonylContact C-O 3.08Å; A160-L165 HydrophobicContact CB-CB 4.38Å; A160-L165 WeakPolarHBondContact O-CB 3.32Å; A160-L165 PolarHBondContact O-N 3.35Å; A163-L165 HydrophobicContact CB-CD1 4.16Å; A163-L165 HydrophobicContact CB-CG 4.26Å; L165-C167 PolarHBondContact O-N 3.41Å | ||
| 166 | N | 96.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 17.5 Ų | 17.5 | 47% | 0.465 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 104.2 | 167.3 | -178.6 | 30 | 0 | 0 | 0 | 109.4 | A138 D139 C140 L168 | A138-N166 PolarHBondContact O-N 3Å; D139-N166 WeakPolarHBondContact CA-O 3.36Å; D139-N166 PolarHBondContact OD1-ND2 3Å; C140-N166 PolarHBondContact N-O 2.79Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.41Å; N166-L168 PolarHBondContact O-N 3.29Å; N166-L168 VanDerWaalsContact O-N 3.14Å |
| 167 | C | 97 | Very high | 97.3 | Very high | 13 Ų | 13 | 17.5 Ų | 17.5 | 9% | 0.088 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 93.3 | 177 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | I142 A160 L165 R169 H487 | I142-C167 HydrophobicContact CD1-CB 4.35Å; A160-C167 HydrophobicContact CB-CB 4.01Å; L165-C167 PolarHBondContact O-N 3.41Å; C167-R169 PolarHBondContact O-N 3.46Å; C167-R169 PolarHBondContact SG-O 3.43Å; C167-H487 PolarHBondContact O-CE1 3.12Å |
| 168 | L | 96.4 | Very high | 97.3 | Very high | 34 Ų | 34 | 15.5 Ų | 15.5 | 18% | 0.178 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -32.6 | -178.6 | -63.5 | -179.2 | 0 | 0 | 0 | 112.7 | D139 C140 V141 N166 L383 I486 | D139-L168 HydrophobicContact CB-CD1 3.93Å; D139-L168 HydrophobicContact CB-CD2 4.32Å; D139-L168 HydrophobicContact CB-CG 4.04Å; C140-L168 PolarHBondContact O-N 2.85Å; V141-L168 HydrophobicContact CG2-CB 4.25Å; N166-L168 WeakPolarHBondContact ND2-CD2 3.41Å; N166-L168 PolarHBondContact O-N 3.29Å; N166-L168 VanDerWaalsContact O-N 3.14Å; L168-L383 HydrophobicContact CB-CD1 3.93Å; L168-L383 HydrophobicContact CD1-CB 4.07Å; L168-I486 WeakPolarHBondContact O-CD1 3.36Å |
| 169 | R | 96.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 15 Ų | 15 | 7% | 0.072 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 137.2 | 174.4 | -177.3 | 165.8 | 179.8 | -165.2 | -3.3 | 109.8 | V141 I142 C167 L383 D396 I486 | V141-R169 WeakPolarHBondContact CA-O 3.26Å; V141-R169 HydrophobicContact CG1-CB 4.45Å; V141-R169 WeakPolarHBondContact CG1-O 3.31Å; V141-R169 HydrophobicContact CG2-CB 4.2Å; I142-R169 PolarHBondContact N-O 3.28Å; C167-R169 PolarHBondContact O-N 3.46Å; C167-R169 PolarHBondContact SG-O 3.43Å; R169-L383 HydrophobicContact CB-CD1 3.94Å; R169-D396 IonicContact NH2-OD2 2.77Å; R169-D396 PolarHBondContact NH2-OD2 3.21Å; R169-I486 PolarHBondContact NE-O 3.15Å; R169-I486 VanDerWaalsContact NE-O 3.11Å |
| 170 | L | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.2 | 156.7 | -67.5 | 178.4 | 0 | 0 | 0 | 107.7 | I142 I144 R153 V156 M157 H487 | I142-L170 HydrophobicContact CB-CD2 4.2Å; I144-L170 HydrophobicContact CD1-CB 3.76Å; I144-L170 HydrophobicContact CD1-CD1 4.12Å; I144-L170 HydrophobicContact CD1-CG 4.46Å; I144-L170 HydrophobicContact CG1-CB 4.19Å; I144-L170 HydrophobicContact CG2-CD2 4.27Å; R153-L170 HydrophobicContact CB-CD1 3.91Å; R153-L170 HydrophobicContact CG-CD1 4.31Å; R153-L170 WeakPolarHBondContact O-CD1 3.45Å; V156-L170 HydrophobicContact CB-CD2 4.36Å; V156-L170 HydrophobicContact CG1-CD2 3.77Å; M157-L170 HydrophobicContact CG-CD1 3.49Å; M157-L170 VanDerWaalsContact CG-CD1 3.49Å; M157-L170 HydrophobicContact CG-CD2 4.31Å; M157-L170 HydrophobicContact CG-CG 3.89Å; M157-L170 HydrophobicContact SD-CD1 4.2Å; M157-L170 HydrophobicContact SD-CG 4.28Å; L170-H487 HydrophobicContact CB-CB 4.07Å; L170-H487 HydrophobicContact CD1-CB 4.33Å; L170-H487 HydrophobicContact CG-CB 4.34Å; L170-H487 PolarHBondContact N-ND1 3.37Å |
| 171 | M | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.3 | -174.5 | -164.2 | 169.7 | -163.5 | 0 | 0 | 110.7 | V141 I142 S143 I144 E173 T175 A176 L179 Q379 I394 | V141-M171 HydrophobicContact CG1-CB 3.96Å; V141-M171 HydrophobicContact CG1-SD 4.41Å; I142-M171 PolarHBondContact O-N 3.22Å; S143-M171 CarbonylContact C-O 3.58Å; S143-M171 WeakPolarHBondContact CA-O 3.26Å; I144-M171 PolarHBondContact N-O 2.93Å; M171-E173 PolarHBondContact O-N 3.48Å; M171-T175 HydrophobicContact CE-CG2 4.17Å; M171-A176 HydrophobicContact CE-CB 4.33Å; M171-A176 HydrophobicContact CG-CB 4.08Å; M171-A176 HydrophobicContact SD-CB 3.75Å; M171-L179 HydrophobicContact CE-CB 4.08Å; M171-L179 HydrophobicContact CE-CD2 3.86Å; M171-Q379 HydrophobicContact CE-CB 4.05Å; M171-Q379 HydrophobicContact CE-CG 4.24Å; M171-Q379 HydrophobicContact SD-CB 3.58Å; M171-Q379 VanDerWaalsContact SD-CB 3.58Å; M171-Q379 HydrophobicContact SD-CG 3.82Å; M171-I394 HydrophobicContact CE-CD1 4.18Å |
| 172 | N | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 3% | 0.032 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 128.4 | 173.7 | -67.8 | -22.6 | 0 | 0 | 0 | 109.2 | I144 R153 T174 T175 A176 D396 | I144-N172 CarbonylContact O-C 3.56Å; I144-N172 WeakPolarHBondContact O-CA 3.33Å; R153-N172 PolarHBondContact NH1-OD1 3.01Å; R153-N172 VanDerWaalsContact NH1-OD1 3.13Å; R153-N172 PolarHBondContact NH2-OD1 3.28Å; N172-T174 VanDerWaalsContact C-N 3.35Å; N172-T174 PolarHBondContact O-N 2.88Å; N172-T175 WeakPolarHBondContact O-CA 3.4Å; N172-T175 WeakPolarHBondContact O-CB 3.21Å; N172-T175 PolarHBondContact O-N 3.17Å; N172-A176 PolarHBondContact O-N 2.81Å; N172-D396 PolarHBondContact ND2-OD1 2.88Å; N172-D396 PolarHBondContact ND2-OD2 2.77Å |
| 173 | E | 96.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 12.3 Ų | 12.3 | 6% | 0.061 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -50.6 | -48.3 | -173.7 | -78.7 | 152.4 | -172 | 0 | 0 | 112.7 | K68 I144 P145 M171 T175 A176 V177 Q209 V372 | K68-E173 IonicContact NZ-OE1 3.13Å; K68-E173 PolarHBondContact NZ-OE1 2.93Å; I144-E173 VanDerWaalsContact O-CG 3.31Å; I144-E173 WeakPolarHBondContact O-CG 3.28Å; I144-E173 PolarHBondContact O-N 3.28Å; P145-E173 VanDerWaalsContact CA-OE2 3.23Å; P145-E173 WeakPolarHBondContact CA-OE2 2.82Å; P145-E173 VanDerWaalsContact CD-OE1 3.26Å; P145-E173 WeakPolarHBondContact CD-OE1 3.43Å; P145-E173 VanDerWaalsContact N-CD 3.3Å; P145-E173 VanDerWaalsContact N-OE1 3.15Å; M171-E173 PolarHBondContact O-N 3.48Å; E173-T175 VanDerWaalsContact C-N 3.33Å; E173-T175 PolarHBondContact O-N 3.07Å; E173-A176 WeakPolarHBondContact O-CB 3.29Å; E173-A176 PolarHBondContact O-N 3.21Å; E173-V177 WeakPolarHBondContact O-CG2 3.49Å; E173-V177 PolarHBondContact O-N 3.48Å; E173-Q209 PolarHBondContact OE2-NE2 3.26Å; E173-V372 HydrophobicContact CB-CG1 4.34Å; E173-V372 HydrophobicContact CG-CG1 4.08Å |
| 174 | T | 96 | Very high | 96 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.5 | -32 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | N172 V177 A178 D202 Q209 | N172-T174 VanDerWaalsContact C-N 3.35Å; N172-T174 PolarHBondContact O-N 2.88Å; T174-V177 PolarHBondContact O-N 3.28Å; T174-A178 WeakPolarHBondContact O-CB 3.42Å; T174-A178 PolarHBondContact O-N 2.86Å; T174-D202 HydrophobicContact CG2-CB 4.34Å; T174-Q209 HydrophobicContact CG2-CB 3.87Å |
| 175 | T | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -75.6 | -30.9 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | M171 N172 E173 A178 L179 L220 V222 I394 D396 | M171-T175 HydrophobicContact CE-CG2 4.17Å; N172-T175 WeakPolarHBondContact O-CA 3.4Å; N172-T175 WeakPolarHBondContact O-CB 3.21Å; N172-T175 PolarHBondContact O-N 3.17Å; E173-T175 VanDerWaalsContact C-N 3.33Å; E173-T175 PolarHBondContact O-N 3.07Å; T175-A178 PolarHBondContact O-N 2.64Å; T175-L179 PolarHBondContact O-N 2.95Å; T175-L220 HydrophobicContact CG2-CD2 4.37Å; T175-V222 HydrophobicContact CG2-CG2 4.17Å; T175-I394 HydrophobicContact CG2-CG2 3.84Å; T175-D396 HydrophobicContact CG2-CB 4.48Å; T175-D396 PolarHBondContact OG1-OD1 3.4Å |
| 176 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | M171 N172 E173 A178 L179 A180 V372 G375 | M171-A176 HydrophobicContact CE-CB 4.33Å; M171-A176 HydrophobicContact CG-CB 4.08Å; M171-A176 HydrophobicContact SD-CB 3.75Å; N172-A176 PolarHBondContact O-N 2.81Å; E173-A176 WeakPolarHBondContact O-CB 3.29Å; E173-A176 PolarHBondContact O-N 3.21Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 3.48Å; A176-L179 PolarHBondContact O-N 2.65Å; A176-A180 PolarHBondContact O-N 3Å; A176-V372 HydrophobicContact CB-CG1 4.19Å; A176-G375 VanDerWaalsContact O-CA 3.25Å; A176-G375 WeakPolarHBondContact O-CA 3.42Å |
| 177 | V | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.5 | 177 | 0 | 0 | 0 | 0 | 111 | E173 T174 L179 A180 Y181 F200 V341 L366 A371 V372 | E173-V177 WeakPolarHBondContact O-CG2 3.49Å; E173-V177 PolarHBondContact O-N 3.48Å; T174-V177 PolarHBondContact O-N 3.28Å; V177-L179 PolarHBondContact O-N 2.93Å; V177-A180 PolarHBondContact O-N 3.42Å; V177-Y181 PolarHBondContact O-N 3.44Å; V177-F200 HydrophobicContact CG1-CD1 3.7Å; V177-F200 HydrophobicContact CG1-CE1 4.26Å; V177-F200 HydrophobicContact CG1-CG 4.35Å; V177-V341 HydrophobicContact CG1-CG1 3.78Å; V177-V341 HydrophobicContact CG1-CG2 4.19Å; V177-V341 HydrophobicContact CG2-CG2 4Å; V177-L366 HydrophobicContact CG1-CD1 3.43Å; V177-L366 VanDerWaalsContact CG1-CD1 3.43Å; V177-A371 HydrophobicContact CG1-CB 4.38Å; V177-A371 HydrophobicContact CG2-CB 4.14Å; V177-V372 HydrophobicContact CG2-CB 4.49Å; V177-V372 HydrophobicContact CG2-CG2 3.63Å |
| 178 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T174 T175 A176 G182 F200 F215 L220 | T174-A178 WeakPolarHBondContact O-CB 3.42Å; T174-A178 PolarHBondContact O-N 2.86Å; T175-A178 PolarHBondContact O-N 2.64Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 3.48Å; A178-G182 PolarHBondContact O-N 3.35Å; A178-F200 HydrophobicContact CB-CD2 3.72Å; A178-F200 HydrophobicContact CB-CE2 3.43Å; A178-F200 VanDerWaalsContact CB-CE2 3.43Å; A178-F200 HydrophobicContact CB-CZ 4.04Å; A178-F215 HydrophobicContact CB-CZ 4.09Å; A178-F215 WeakPolarHBondContact O-CE1 3.33Å; A178-F215 VanDerWaalsContact O-CZ 3.29Å; A178-F215 WeakPolarHBondContact O-CZ 3.38Å; A178-L220 HydrophobicContact CB-CD1 4.04Å; A178-L220 HydrophobicContact CB-CD2 3.66Å |
| 179 | L | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 171.9 | 175 | 59.6 | 0 | 0 | 0 | 111.5 | M171 T175 A176 V177 Y181 G182 I183 L378 Q379 I382 F392 I394 | M171-L179 HydrophobicContact CE-CB 4.08Å; M171-L179 HydrophobicContact CE-CD2 3.86Å; T175-L179 PolarHBondContact O-N 2.95Å; A176-L179 PolarHBondContact O-N 2.65Å; V177-L179 PolarHBondContact O-N 2.93Å; L179-Y181 VanDerWaalsContact C-N 3.26Å; L179-Y181 PolarHBondContact O-N 3.06Å; L179-G182 PolarHBondContact O-N 2.69Å; L179-I183 HydrophobicContact CD1-CB 4.37Å; L179-I183 PolarHBondContact O-N 3.12Å; L179-I183 VanDerWaalsContact O-N 3.09Å; L179-L378 HydrophobicContact CD2-CB 3.76Å; L179-L378 HydrophobicContact CG-CB 4.11Å; L179-L378 HydrophobicContact CG-CD1 4.37Å; L179-Q379 HydrophobicContact CD2-CB 3.87Å; L179-I382 HydrophobicContact CD1-CD1 4.22Å; L179-I382 HydrophobicContact CD2-CD1 4.25Å; L179-F392 HydrophobicContact CD1-CD1 3.37Å; L179-F392 HydrophobicContact CD1-CE1 3.65Å; L179-F392 HydrophobicContact CD1-CG 4.1Å; L179-I394 HydrophobicContact CB-CD1 4.28Å; L179-I394 HydrophobicContact CD1-CD1 3.82Å; L179-I394 HydrophobicContact CD1-CG1 4.47Å; L179-I394 HydrophobicContact CD2-CD1 3.78Å; L179-I394 HydrophobicContact CG-CD1 4.17Å |
| 180 | A | 95.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A176 V177 Y184 L378 | A176-A180 PolarHBondContact O-N 3Å; V177-A180 PolarHBondContact O-N 3.42Å; A180-Y184 WeakPolarHBondContact O-CD2 3.2Å; A180-L378 HydrophobicContact CB-CD1 4.27Å |
| 181 | Y | 95.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -58.8 | 168.6 | -178.6 | -87.5 | 0 | 0 | 0 | 111.8 | V177 L179 I183 Y184 K185 V198 F200 F215 S337 E339 L366 | V177-Y181 PolarHBondContact O-N 3.44Å; L179-Y181 VanDerWaalsContact C-N 3.26Å; L179-Y181 PolarHBondContact O-N 3.06Å; Y181-I183 PolarHBondContact O-N 2.69Å; Y181-Y184 PolarHBondContact O-N 2.76Å; Y181-K185 HydrophobicContact CD1-CG 4.04Å; Y181-K185 HydrophobicContact CE1-CG 3.8Å; Y181-K185 HydrophobicContact CG-CG 4.47Å; Y181-K185 WeakPolarHBondContact O-CG 3.24Å; Y181-K185 PolarHBondContact O-N 2.92Å; Y181-V198 HydrophobicContact CE1-CG2 3.97Å; Y181-F200 HydrophobicContact CD1-CZ 4.01Å; Y181-F200 HydrophobicContact CD2-CE1 4.09Å; Y181-F200 HydrophobicContact CD2-CZ 4.23Å; Y181-F200 AromaticContact CG-CE1 3.98Å; Y181-F200 HydrophobicContact CG-CE1 3.98Å; Y181-F200 AromaticContact CG-CZ 3.75Å; Y181-F200 HydrophobicContact CG-CZ 3.75Å; Y181-F215 HydrophobicContact CD1-CD2 4.34Å; Y181-F215 HydrophobicContact CD1-CE1 4.24Å; Y181-F215 AromaticContact CD1-CE2 3.76Å; Y181-F215 HydrophobicContact CD1-CE2 3.76Å; Y181-F215 AromaticContact CD1-CZ 3.7Å; Y181-F215 HydrophobicContact CD1-CZ 3.7Å; Y181-F215 HydrophobicContact CE1-CD2 4.23Å; Y181-F215 HydrophobicContact CE1-CE2 4.01Å; Y181-F215 HydrophobicContact CE1-CZ 4.39Å; Y181-S337 PolarHBondContact OH-OG 2.9Å; Y181-E339 HydrophobicContact CD2-CG 3.92Å; Y181-E339 HydrophobicContact CE2-CG 3.83Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.35Å; Y181-L366 HydrophobicContact CD2-CD2 4.48Å |
| 182 | G | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -31.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A178 L179 L188 F392 | A178-G182 PolarHBondContact O-N 3.35Å; L179-G182 PolarHBondContact O-N 2.69Å; G182-L188 VanDerWaalsContact O-CD1 3.32Å; G182-L188 WeakPolarHBondContact O-CD1 3.29Å; G182-F392 WeakPolarHBondContact O-CE2 3.4Å |
| 183 | I | 90.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.6 | -31.5 | -175.1 | -155.6 | 166.6 | 0 | 0 | 0 | 113.2 | L179 Y181 L378 I382 V389 R390 F392 | L179-I183 HydrophobicContact CD1-CB 4.37Å; L179-I183 PolarHBondContact O-N 3.12Å; L179-I183 VanDerWaalsContact O-N 3.09Å; Y181-I183 PolarHBondContact O-N 2.69Å; I183-L378 HydrophobicContact CD1-CD2 4.29Å; I183-L378 HydrophobicContact CG2-CD1 3.67Å; I183-L378 HydrophobicContact CG2-CD2 3.99Å; I183-L378 HydrophobicContact CG2-CG 4.44Å; I183-I382 HydrophobicContact CD1-CD1 4.43Å; I183-V389 HydrophobicContact CD1-CG1 3.77Å; I183-R390 PolarHBondContact O-NH1 3.04Å; I183-F392 HydrophobicContact CB-CD2 4.39Å; I183-F392 HydrophobicContact CD1-CB 4.33Å; I183-F392 HydrophobicContact CG1-CD2 4.29Å |
| 184 | Y | 90.1 | Very high | 94.1 | Very high | 126 Ų | 126 | 52.6 Ų | 52.6 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -89.1 | -20.9 | -179.4 | -64 | -55.8 | 0 | 0 | 0 | 113.5 | A180 Y181 Q186 L378 | A180-Y184 WeakPolarHBondContact O-CD2 3.2Å; Y181-Y184 PolarHBondContact O-N 2.76Å; Y184-Q186 PolarHBondContact O-N 3.2Å; Y184-L378 HydrophobicContact CE2-CD1 4.14Å |
| 185 | K | 91.3 | Very high | 94.1 | Very high | 53 Ų | 53 | 55 Ų | 55 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | trans | -66.5 | 130.5 | 170.8 | -65.6 | -66.7 | -178.3 | -177.7 | 0 | 110.3 | Y181 L188 R390 | Y181-K185 HydrophobicContact CD1-CG 4.04Å; Y181-K185 HydrophobicContact CE1-CG 3.8Å; Y181-K185 HydrophobicContact CG-CG 4.47Å; Y181-K185 WeakPolarHBondContact O-CG 3.24Å; Y181-K185 PolarHBondContact O-N 2.92Å; K185-L188 HydrophobicContact CB-CD1 4.17Å; K185-L188 HydrophobicContact CB-CD2 3.83Å; K185-L188 HydrophobicContact CB-CG 3.73Å; K185-L188 HydrophobicContact CG-CD2 4.42Å; K185-R390 PolarHBondContact O-NH1 3.34Å | ||
| 186 | Q | 89.2 | Confident | 94.1 | Very high | 171 Ų | 171 | 57.7 Ų | 57.7 | 80% | 0.799 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -99.9 | -26.3 | -180 | -61.3 | -173.8 | -0.1 | 0 | 0 | 111.7 | Y184 L188 | Y184-Q186 PolarHBondContact O-N 3.2Å; Q186-L188 VanDerWaalsContact C-N 3.33Å; Q186-L188 PolarHBondContact O-N 2.77Å |
| 187 | D | 93.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 58.5 Ų | 58.5 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | trans | -90.2 | 20.7 | -174.5 | 65.1 | -52.7 | 0 | 0 | 0 | 113.8 | R196 | D187-R196 PolarHBondContact O-NH2 2.74Å; D187-R196 IonicContact OD1-NH1 3.35Å; D187-R196 IonicContact OD2-CZ 2.85Å; D187-R196 IonicContact OD2-NH1 2.86Å; D187-R196 PolarHBondContact OD2-NH1 2.93Å; D187-R196 IonicContact OD2-NH2 3.44Å; D187-R196 PolarHBondContact OD2-NH2 3.12Å | ||
| 188 | L | 94.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 138.6 | 177.2 | -63.8 | -178.7 | 0 | 0 | 0 | 111.1 | G182 K185 Q186 F215 | G182-L188 VanDerWaalsContact O-CD1 3.32Å; G182-L188 WeakPolarHBondContact O-CD1 3.29Å; K185-L188 HydrophobicContact CB-CD1 4.17Å; K185-L188 HydrophobicContact CB-CD2 3.83Å; K185-L188 HydrophobicContact CB-CG 3.73Å; K185-L188 HydrophobicContact CG-CD2 4.42Å; Q186-L188 VanDerWaalsContact C-N 3.33Å; Q186-L188 PolarHBondContact O-N 2.77Å; L188-F215 HydrophobicContact CD1-CB 4.23Å; L188-F215 HydrophobicContact CD1-CD1 4.33Å; L188-F215 HydrophobicContact CD2-CB 3.93Å; L188-F215 HydrophobicContact CD2-CG 4.46Å |
| 189 | P | 95.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 146.3 | 179.9 | -27 | 34.9 | 0 | 0 | 0 | 113.3 | E193 R196 N216 K217 | P189-E193 HydrophobicContact CB-CB 3.89Å; P189-R196 HydrophobicContact CG-CB 4.17Å; P189-N216 CarbonylContact O-C 3.43Å; P189-N216 VanDerWaalsContact O-CA 3.28Å; P189-N216 WeakPolarHBondContact O-CA 3.23Å; P189-K217 PolarHBondContact O-N 2.9Å |
| 190 | P | 94.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -46.9 | 167.2 | 163.4 | -28.6 | 36 | 0 | 0 | 0 | 114.4 | D192 E193 N216 | P190-D192 VanDerWaalsContact C-N 3.27Å; P190-D192 WeakPolarHBondContact CB-OD1 3.48Å; P190-D192 PolarHBondContact O-N 3.37Å; P190-E193 HydrophobicContact CB-CB 4.48Å; P190-E193 HydrophobicContact CB-CG 4.35Å; P190-E193 VanDerWaalsContact CD-CD 3.5Å; P190-E193 HydrophobicContact CG-CG 4.29Å; P190-E193 PolarHBondContact O-N 3.28Å; P190-N216 PolarHBondContact O-ND2 2.85Å |
| 191 | L | 91.2 | Very high | 94.5 | Very high | 114 Ų | 114 | 58.2 Ų | 58.2 | 60% | 0.597 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -75 | -18.9 | -176.7 | -76.1 | 166.1 | 0 | 0 | 0 | 113.6 | N216 K219 | L191-N216 HydrophobicContact CD2-CB 3.82Å; L191-N216 HydrophobicContact CG-CB 4.47Å; L191-K219 HydrophobicContact CD2-CB 4Å; L191-K219 HydrophobicContact CD2-CD 3.65Å |
| 192 | D | 91.5 | Very high | 94.6 | Very high | 145 Ų | 145 | 58.6 Ų | 58.6 | 78% | 0.775 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -91.5 | -18.2 | 177.6 | 48.8 | -56.1 | 0 | 0 | 0 | 113 | P190 | P190-D192 VanDerWaalsContact C-N 3.27Å; P190-D192 WeakPolarHBondContact CB-OD1 3.48Å; P190-D192 PolarHBondContact O-N 3.37Å |
| 193 | E | 94.3 | Very high | 94.8 | Very high | 113 Ų | 113 | 58.6 Ų | 58.6 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -85 | 161.3 | 172.8 | -76.6 | -174.4 | -159.1 | 0 | 0 | 112.8 | P189 P190 N216 | P189-E193 HydrophobicContact CB-CB 3.89Å; P190-E193 HydrophobicContact CB-CB 4.48Å; P190-E193 HydrophobicContact CB-CG 4.35Å; P190-E193 VanDerWaalsContact CD-CD 3.5Å; P190-E193 HydrophobicContact CG-CG 4.29Å; P190-E193 PolarHBondContact O-N 3.28Å; E193-N216 PolarHBondContact O-ND2 2.91Å; E193-N216 VanDerWaalsContact O-ND2 3.14Å |
| 194 | K | 94.2 | Very high | 95 | Very high | 189 Ų | 189 | 58.9 Ų | 58.9 | 82% | 0.822 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 133.1 | 172.1 | -73.6 | -170.6 | 176.2 | -173.2 | 0 | 110 | ||
| 195 | P | 96.5 | Very high | 95.3 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 149.4 | -179.6 | 28.4 | -35.3 | 0 | 0 | 0 | 111.6 | N197 A214 F215 | P195-N197 PolarHBondContact O-N 2.87Å; P195-A214 HydrophobicContact CB-CB 3.8Å; P195-A214 HydrophobicContact CG-CB 4.01Å; P195-F215 CarbonylContact C-O 3.5Å; P195-F215 VanDerWaalsContact CA-O 3.3Å; P195-F215 WeakPolarHBondContact CA-O 3.41Å |
| 196 | R | 97.2 | Very high | 95.5 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 111.6 | 168.9 | -173.8 | -178.3 | -69.7 | -176 | -1.3 | 109 | D187 P189 V198 F215 S336 | D187-R196 PolarHBondContact O-NH2 2.74Å; D187-R196 IonicContact OD1-NH1 3.35Å; D187-R196 IonicContact OD2-CZ 2.85Å; D187-R196 IonicContact OD2-NH1 2.86Å; D187-R196 PolarHBondContact OD2-NH1 2.93Å; D187-R196 IonicContact OD2-NH2 3.44Å; D187-R196 PolarHBondContact OD2-NH2 3.12Å; P189-R196 HydrophobicContact CG-CB 4.17Å; R196-V198 HydrophobicContact CG-CG2 4.2Å; R196-F215 HydrophobicContact CB-CB 4.48Å; R196-F215 PolarHBondContact N-O 3.18Å; R196-F215 PolarHBondContact O-N 3.03Å; R196-S336 VanDerWaalsContact CG-CB 3.46Å; R196-S336 WeakPolarHBondContact CG-OG 3.31Å |
| 197 | N | 97.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.8 | 176.3 | -58.4 | -43.4 | 0 | 0 | 0 | 110.4 | P195 C213 L330 D334 I335 S336 | P195-N197 PolarHBondContact O-N 2.87Å; N197-C213 CarbonylContact C-O 3.59Å; N197-C213 WeakPolarHBondContact CA-O 3.48Å; N197-L330 HydrophobicContact CB-CD1 4.16Å; N197-D334 WeakPolarHBondContact CB-O 3.2Å; N197-D334 PolarHBondContact ND2-O 2.93Å; N197-I335 HydrophobicContact CB-CD1 4.23Å; N197-S336 WeakPolarHBondContact O-CA 3.5Å; N197-S336 VanDerWaalsContact O-CB 3.22Å; N197-S336 WeakPolarHBondContact O-CB 3.19Å; N197-S336 PolarHBondContact O-N 3.34Å; N197-S336 PolarHBondContact O-OG 3Å |
| 198 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.9 | 179.1 | 180 | 0 | 0 | 0 | 0 | 109.1 | Y181 R196 F200 C213 F215 S337 E339 | Y181-V198 HydrophobicContact CE1-CG2 3.97Å; R196-V198 HydrophobicContact CG-CG2 4.2Å; V198-F200 HydrophobicContact CB-CE2 4.19Å; V198-F200 HydrophobicContact CB-CZ 4.22Å; V198-F200 HydrophobicContact CG1-CD2 4.48Å; V198-F200 HydrophobicContact CG1-CE1 3.97Å; V198-F200 HydrophobicContact CG1-CE2 3.92Å; V198-F200 HydrophobicContact CG1-CZ 3.62Å; V198-C213 PolarHBondContact N-O 2.99Å; V198-C213 PolarHBondContact O-N 2.91Å; V198-F215 HydrophobicContact CB-CD2 4.26Å; V198-F215 HydrophobicContact CB-CE2 3.97Å; V198-F215 HydrophobicContact CG2-CD2 3.94Å; V198-F215 HydrophobicContact CG2-CE2 4.05Å; V198-S337 WeakPolarHBondContact CA-O 3.36Å; V198-E339 HydrophobicContact CG1-CG 4.27Å |
| 199 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.8 | 171.4 | -169.2 | 0 | 0 | 0 | 0 | 108.5 | I201 V210 V212 I335 S337 I338 E339 F358 | V199-I201 HydrophobicContact CG1-CD1 4.34Å; V199-I201 HydrophobicContact CG1-CG1 3.9Å; V199-V210 HydrophobicContact CG1-CG1 3.85Å; V199-V212 HydrophobicContact CG2-CG2 4.29Å; V199-I335 HydrophobicContact CG2-CD1 3.76Å; V199-I335 HydrophobicContact CG2-CG1 4.04Å; V199-I335 HydrophobicContact CG2-CG2 3.7Å; V199-S337 PolarHBondContact N-O 2.81Å; V199-I338 HydrophobicContact CB-CG1 4.36Å; V199-I338 HydrophobicContact CB-CG2 4.38Å; V199-I338 HydrophobicContact CG2-CG1 4.43Å; V199-I338 CarbonylContact O-C 3.55Å; V199-I338 WeakPolarHBondContact O-CA 3.27Å; V199-E339 PolarHBondContact O-N 2.81Å; V199-F358 HydrophobicContact CB-CZ 4.38Å; V199-F358 HydrophobicContact CG1-CZ 4.02Å; V199-F358 HydrophobicContact CG2-CE1 4Å; V199-F358 HydrophobicContact CG2-CZ 3.94Å |
| 200 | F | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.5 | 167.8 | -63.5 | -75.4 | 0 | 0 | 0 | 109.4 | V177 A178 Y181 V198 V210 S211 C213 F215 E339 L366 | V177-F200 HydrophobicContact CG1-CD1 3.7Å; V177-F200 HydrophobicContact CG1-CE1 4.26Å; V177-F200 HydrophobicContact CG1-CG 4.35Å; A178-F200 HydrophobicContact CB-CD2 3.72Å; A178-F200 HydrophobicContact CB-CE2 3.43Å; A178-F200 VanDerWaalsContact CB-CE2 3.43Å; A178-F200 HydrophobicContact CB-CZ 4.04Å; Y181-F200 HydrophobicContact CD1-CZ 4.01Å; Y181-F200 HydrophobicContact CD2-CE1 4.09Å; Y181-F200 HydrophobicContact CD2-CZ 4.23Å; Y181-F200 AromaticContact CG-CE1 3.98Å; Y181-F200 HydrophobicContact CG-CE1 3.98Å; Y181-F200 AromaticContact CG-CZ 3.75Å; Y181-F200 HydrophobicContact CG-CZ 3.75Å; V198-F200 HydrophobicContact CB-CE2 4.19Å; V198-F200 HydrophobicContact CB-CZ 4.22Å; V198-F200 HydrophobicContact CG1-CD2 4.48Å; V198-F200 HydrophobicContact CG1-CE1 3.97Å; V198-F200 HydrophobicContact CG1-CE2 3.92Å; V198-F200 HydrophobicContact CG1-CZ 3.62Å; F200-V210 WeakPolarHBondContact O-CA 3.1Å; F200-S211 PolarHBondContact N-O 3.12Å; F200-S211 PolarHBondContact O-N 3.23Å; F200-C213 HydrophobicContact CD2-CB 4.03Å; F200-C213 HydrophobicContact CE2-CB 3.74Å; F200-F215 AromaticContact CE2-CE2 3.62Å; F200-F215 HydrophobicContact CE2-CE2 3.62Å; F200-F215 AromaticContact CE2-CZ 3.71Å; F200-F215 HydrophobicContact CE2-CZ 3.71Å; F200-F215 AromaticContact CZ-CE2 3.75Å; F200-F215 HydrophobicContact CZ-CE2 3.75Å; F200-F215 AromaticContact CZ-CZ 3.76Å; F200-F215 HydrophobicContact CZ-CZ 3.76Å; F200-E339 WeakPolarHBondContact CA-O 3.44Å; F200-E339 HydrophobicContact CD1-CB 3.75Å; F200-E339 HydrophobicContact CD1-CG 4.43Å; F200-E339 HydrophobicContact CE1-CB 3.84Å; F200-E339 HydrophobicContact CE1-CG 4.02Å; F200-L366 HydrophobicContact CD1-CD1 4.47Å; F200-L366 HydrophobicContact CE1-CD1 4.13Å |
| 201 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.6 | -178.9 | -56.8 | 174.7 | 0 | 0 | 0 | 108.3 | V199 Y208 V210 L321 I338 E339 I340 V341 I354 F358 | V199-I201 HydrophobicContact CG1-CD1 4.34Å; V199-I201 HydrophobicContact CG1-CG1 3.9Å; I201-Y208 HydrophobicContact CG2-CD2 4.44Å; I201-Y208 HydrophobicContact CG2-CE2 3.55Å; I201-V210 HydrophobicContact CG1-CG1 4.32Å; I201-L321 HydrophobicContact CD1-CD2 3.94Å; I201-L321 HydrophobicContact CG1-CD2 4.44Å; I201-I338 HydrophobicContact CD1-CG2 3.55Å; I201-I338 HydrophobicContact CG1-CG2 4.31Å; I201-E339 PolarHBondContact N-O 2.75Å; I201-I340 HydrophobicContact CB-CG2 4.23Å; I201-I340 HydrophobicContact CD1-CG2 4.46Å; I201-I340 CarbonylContact O-C 3.55Å; I201-I340 WeakPolarHBondContact O-CA 3.02Å; I201-V341 PolarHBondContact O-N 3.26Å; I201-I354 HydrophobicContact CD1-CB 4.46Å; I201-I354 HydrophobicContact CD1-CD1 4.07Å; I201-I354 HydrophobicContact CD1-CG1 4.15Å; I201-I354 HydrophobicContact CD1-CG2 3.46Å; I201-I354 VanDerWaalsContact CD1-CG2 3.46Å; I201-I354 HydrophobicContact CG2-CD1 4.01Å; I201-F358 HydrophobicContact CD1-CE2 4.1Å |
| 202 | D | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.8 | 173.7 | 167.6 | 41.9 | 0 | 0 | 0 | 109.7 | T174 G204 Y208 Q209 V341 G342 | T174-D202 HydrophobicContact CG2-CB 4.34Å; D202-G204 PolarHBondContact OD1-N 3.27Å; D202-Y208 CarbonylContact O-C 3.55Å; D202-Y208 WeakPolarHBondContact O-CA 3.34Å; D202-Y208 WeakPolarHBondContact O-CD2 3.47Å; D202-Q209 HydrophobicContact CB-CB 4.35Å; D202-Q209 PolarHBondContact N-O 3.44Å; D202-Q209 PolarHBondContact O-N 3.26Å; D202-Q209 PolarHBondContact OD2-NE2 3.15Å; D202-V341 HydrophobicContact CB-CG2 3.75Å; D202-G342 WeakPolarHBondContact OD1-CA 3.43Å |
| 203 | M | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 94.6 | 163.5 | -160.3 | -172.3 | -75.1 | 0 | 0 | 109.7 | Y208 L231 F236 V317 V341 G342 G343 A344 T345 V350 | M203-Y208 HydrophobicContact CB-CD2 3.92Å; M203-Y208 HydrophobicContact CE-CD1 4.5Å; M203-Y208 HydrophobicContact CE-CD2 3.47Å; M203-Y208 VanDerWaalsContact CE-CD2 3.47Å; M203-Y208 HydrophobicContact CE-CE2 3.77Å; M203-Y208 HydrophobicContact CE-CG 3.87Å; M203-Y208 HydrophobicContact CG-CD2 3.98Å; M203-Y208 HydrophobicContact CG-CG 4.45Å; M203-L231 HydrophobicContact CE-CD2 4.17Å; M203-L231 HydrophobicContact CE-CG 4.45Å; M203-F236 HydrophobicContact SD-CE2 4.1Å; M203-V317 HydrophobicContact CE-CG2 4.02Å; M203-V341 PolarHBondContact N-O 2.94Å; M203-G342 CarbonylContact O-C 3.55Å; M203-G342 WeakPolarHBondContact O-CA 3.43Å; M203-G343 PolarHBondContact O-N 3.4Å; M203-A344 HydrophobicContact CB-CB 4.12Å; M203-A344 HydrophobicContact CG-CB 3.8Å; M203-A344 WeakPolarHBondContact O-CB 3.38Å; M203-A344 PolarHBondContact O-N 3.42Å; M203-A344 HydrophobicContact SD-CB 3.75Å; M203-T345 HydrophobicContact CB-CG2 3.61Å; M203-V350 HydrophobicContact CE-CG1 3.69Å; M203-V350 HydrophobicContact CE-CG2 4.41Å; M203-V350 HydrophobicContact SD-CG1 4.26Å; M203-V350 HydrophobicContact SD-CG2 4.43Å |
| 204 | G | 95.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 20.1 Ų | 20.1 | 21% | 0.206 | 10% | 0.103 | C | C | . | . | trans | -76.9 | -160.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D202 A207 G233 | D202-G204 PolarHBondContact OD1-N 3.27Å; G204-A207 PolarHBondContact N-O 3.1Å; G204-G233 PolarHBondContact O-N 2.93Å | ||
| 205 | H | 96.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 11.1 Ų | 11.1 | 19% | 0.194 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -71.2 | -27.8 | 178.4 | -177.3 | 85.5 | 0 | 0 | 0 | 113.2 | F10 L11 G232 G233 R234 D237 | F10-H205 AromaticContact CD1-CD2 3.42Å; F10-H205 VanDerWaalsContact CD1-CD2 3.42Å; F10-H205 WeakPolarHBondContact CD1-CD2 3.34Å; F10-H205 AromaticContact CE1-CD2 3.65Å; L11-H205 HydrophobicContact CB-CB 3.85Å; H205-G232 CarbonylContact O-C 3.42Å; H205-G233 PolarHBondContact O-N 2.77Å; H205-R234 VanDerWaalsContact O-CB 3.24Å; H205-R234 WeakPolarHBondContact O-CB 3.38Å; H205-R234 PolarHBondContact O-N 3.48Å; H205-D237 IonicContact CE1-OD2 3.16Å |
| 206 | S | 94.7 | Very high | 97.5 | Very high | 15 Ų | 15 | 9.5 Ų | 9.5 | 11% | 0.105 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -132.2 | -4.5 | -166.3 | 68.9 | 0 | 0 | 0 | 0 | 116.5 | F10 K69 | F10-S206 WeakPolarHBondContact CB-OG 3.18Å; F10-S206 VanDerWaalsContact CD2-OG 3.27Å; F10-S206 WeakPolarHBondContact CD2-OG 3.49Å; F10-S206 WeakPolarHBondContact CG-OG 3.37Å; K69-S206 WeakPolarHBondContact CE-O 3.33Å; K69-S206 PolarHBondContact NZ-O 3.4Å |
| 207 | A | 96.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 12.9 Ų | 12.9 | 7% | 0.066 | 7% | 0.069 | C | C | . | . | trans | -158.6 | 159 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111 | F147 G204 L231 | F147-A207 HydrophobicContact CE1-CB 3.64Å; F147-A207 HydrophobicContact CZ-CB 3.61Å; G204-A207 PolarHBondContact N-O 3.1Å; A207-L231 CarbonylContact C-O 3.56Å; A207-L231 WeakPolarHBondContact CA-O 3.36Å; A207-L231 PolarHBondContact N-O 2.68Å | ||
| 208 | Y | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.6 | -178.2 | 173.6 | -129.8 | 0 | 0 | 0 | 108.6 | I201 D202 M203 V210 F227 D228 L231 V317 P320 L321 | I201-Y208 HydrophobicContact CG2-CD2 4.44Å; I201-Y208 HydrophobicContact CG2-CE2 3.55Å; D202-Y208 CarbonylContact O-C 3.55Å; D202-Y208 WeakPolarHBondContact O-CA 3.34Å; D202-Y208 WeakPolarHBondContact O-CD2 3.47Å; M203-Y208 HydrophobicContact CB-CD2 3.92Å; M203-Y208 HydrophobicContact CE-CD1 4.5Å; M203-Y208 HydrophobicContact CE-CD2 3.47Å; M203-Y208 VanDerWaalsContact CE-CD2 3.47Å; M203-Y208 HydrophobicContact CE-CE2 3.77Å; M203-Y208 HydrophobicContact CE-CG 3.87Å; M203-Y208 HydrophobicContact CG-CD2 3.98Å; M203-Y208 HydrophobicContact CG-CG 4.45Å; Y208-V210 HydrophobicContact CE1-CG2 4.08Å; Y208-V210 HydrophobicContact CE2-CG2 4.13Å; Y208-F227 CarbonylContact O-C 3.56Å; Y208-F227 WeakPolarHBondContact O-CA 3.43Å; Y208-F227 VanDerWaalsContact O-CB 3.3Å; Y208-F227 WeakPolarHBondContact O-CB 3.22Å; Y208-D228 HydrophobicContact CD1-CB 4.32Å; Y208-D228 PolarHBondContact N-O 2.89Å; Y208-D228 PolarHBondContact O-N 2.71Å; Y208-L231 WeakPolarHBondContact CB-O 3.35Å; Y208-L231 HydrophobicContact CD1-CD2 3.9Å; Y208-L231 HydrophobicContact CG-CD2 4.22Å; Y208-L231 PolarHBondContact N-O 3.19Å; Y208-V317 HydrophobicContact CE1-CG1 4.41Å; Y208-V317 WeakPolarHBondContact CE1-O 3.47Å; Y208-V317 WeakPolarHBondContact OH-CG1 3.36Å; Y208-V317 PolarHBondContact OH-O 3.02Å; Y208-V317 VanDerWaalsContact OH-O 3.12Å; Y208-P320 HydrophobicContact CD1-CB 4.3Å; Y208-P320 HydrophobicContact CD1-CG 3.88Å; Y208-P320 HydrophobicContact CE1-CB 3.87Å; Y208-P320 HydrophobicContact CE1-CG 3.72Å; Y208-L321 WeakPolarHBondContact OH-CD2 3.17Å; Y208-L321 WeakPolarHBondContact OH-CG 3.43Å |
| 209 | Q | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 139.3 | -172.4 | -54.6 | -178 | 96.6 | 0 | 0 | 110.3 | S146 F147 E173 T174 D202 F227 | S146-Q209 PolarHBondContact OG-OE1 3.23Å; F147-Q209 HydrophobicContact CD1-CG 4.29Å; F147-Q209 HydrophobicContact CE1-CG 4.11Å; E173-Q209 PolarHBondContact OE2-NE2 3.26Å; T174-Q209 HydrophobicContact CG2-CB 3.87Å; D202-Q209 HydrophobicContact CB-CB 4.35Å; D202-Q209 PolarHBondContact N-O 3.44Å; D202-Q209 PolarHBondContact O-N 3.26Å; D202-Q209 PolarHBondContact OD2-NE2 3.15Å; Q209-F227 HydrophobicContact CG-CB 4.34Å |
| 210 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.5 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | V199 F200 I201 Y208 T225 T226 P320 L321 V324 | V199-V210 HydrophobicContact CG1-CG1 3.85Å; F200-V210 WeakPolarHBondContact O-CA 3.1Å; I201-V210 HydrophobicContact CG1-CG1 4.32Å; Y208-V210 HydrophobicContact CE1-CG2 4.08Å; Y208-V210 HydrophobicContact CE2-CG2 4.13Å; V210-T225 CarbonylContact O-C 3.55Å; V210-T225 VanDerWaalsContact O-CA 3.3Å; V210-T225 WeakPolarHBondContact O-CA 3.34Å; V210-T226 PolarHBondContact N-O 3.17Å; V210-T226 PolarHBondContact O-N 3.42Å; V210-P320 HydrophobicContact CG2-CB 3.98Å; V210-L321 HydrophobicContact CB-CD2 4.49Å; V210-L321 HydrophobicContact CG1-CD2 3.81Å; V210-L321 HydrophobicContact CG2-CD2 3.84Å; V210-V324 HydrophobicContact CG1-CB 4.16Å; V210-V324 HydrophobicContact CG1-CG1 3.66Å; V210-V324 HydrophobicContact CG1-CG2 4.39Å |
| 211 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.4 | -179.6 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | F200 V222 A224 T225 | F200-S211 PolarHBondContact N-O 3.12Å; F200-S211 PolarHBondContact O-N 3.23Å; S211-V222 WeakPolarHBondContact OG-CG1 3.43Å; S211-A224 WeakPolarHBondContact CA-O 3.42Å; S211-A224 PolarHBondContact OG-O 3.29Å; S211-T225 PolarHBondContact OG-OG1 3.44Å |
| 212 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.8 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | V199 L223 A224 V324 M325 A328 L330 I335 | V199-V212 HydrophobicContact CG2-CG2 4.29Å; V212-L223 HydrophobicContact CG1-CD1 4.2Å; V212-L223 PolarHBondContact O-N 3.47Å; V212-A224 PolarHBondContact N-O 2.83Å; V212-V324 HydrophobicContact CB-CG2 4.48Å; V212-V324 HydrophobicContact CG2-CB 4.23Å; V212-V324 HydrophobicContact CG2-CG1 3.59Å; V212-V324 HydrophobicContact CG2-CG2 3.68Å; V212-M325 HydrophobicContact CG2-SD 4.37Å; V212-A328 HydrophobicContact CB-CB 4.24Å; V212-A328 HydrophobicContact CG1-CB 4.24Å; V212-A328 HydrophobicContact CG2-CB 4.4Å; V212-L330 HydrophobicContact CG1-CD1 3.94Å; V212-I335 HydrophobicContact CG1-CD1 4.31Å |
| 213 | C | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.2 | -172.7 | -71 | 0 | 0 | 0 | 0 | 111.5 | N197 V198 F200 F215 L220 | N197-C213 CarbonylContact C-O 3.59Å; N197-C213 WeakPolarHBondContact CA-O 3.48Å; V198-C213 PolarHBondContact N-O 2.99Å; V198-C213 PolarHBondContact O-N 2.91Å; F200-C213 HydrophobicContact CD2-CB 4.03Å; F200-C213 HydrophobicContact CE2-CB 3.74Å; C213-F215 HydrophobicContact CB-CD2 4.45Å; C213-F215 HydrophobicContact CB-CE2 3.84Å; C213-F215 HydrophobicContact CB-CZ 4.25Å; C213-L220 HydrophobicContact CB-CD1 3.65Å |
| 214 | A | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 6% | 0.058 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P195 K221 L223 | P195-A214 HydrophobicContact CB-CB 3.8Å; P195-A214 HydrophobicContact CG-CB 4.01Å; A214-K221 PolarHBondContact N-O 2.85Å; A214-K221 PolarHBondContact O-N 3.37Å; A214-L223 HydrophobicContact CB-CD1 4.08Å; A214-L223 HydrophobicContact CB-CD2 3.93Å; A214-L223 HydrophobicContact CB-CG 4.01Å |
| 215 | F | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.3 | 177.4 | -68.7 | -83.1 | 0 | 0 | 0 | 113.1 | A178 Y181 L188 P195 R196 V198 F200 C213 K219 L220 F392 | A178-F215 HydrophobicContact CB-CZ 4.09Å; A178-F215 WeakPolarHBondContact O-CE1 3.33Å; A178-F215 VanDerWaalsContact O-CZ 3.29Å; A178-F215 WeakPolarHBondContact O-CZ 3.38Å; Y181-F215 HydrophobicContact CD1-CD2 4.34Å; Y181-F215 HydrophobicContact CD1-CE1 4.24Å; Y181-F215 AromaticContact CD1-CE2 3.76Å; Y181-F215 HydrophobicContact CD1-CE2 3.76Å; Y181-F215 AromaticContact CD1-CZ 3.7Å; Y181-F215 HydrophobicContact CD1-CZ 3.7Å; Y181-F215 HydrophobicContact CE1-CD2 4.23Å; Y181-F215 HydrophobicContact CE1-CE2 4.01Å; Y181-F215 HydrophobicContact CE1-CZ 4.39Å; L188-F215 HydrophobicContact CD1-CB 4.23Å; L188-F215 HydrophobicContact CD1-CD1 4.33Å; L188-F215 HydrophobicContact CD2-CB 3.93Å; L188-F215 HydrophobicContact CD2-CG 4.46Å; P195-F215 CarbonylContact C-O 3.5Å; P195-F215 VanDerWaalsContact CA-O 3.3Å; P195-F215 WeakPolarHBondContact CA-O 3.41Å; R196-F215 HydrophobicContact CB-CB 4.48Å; R196-F215 PolarHBondContact N-O 3.18Å; R196-F215 PolarHBondContact O-N 3.03Å; V198-F215 HydrophobicContact CB-CD2 4.26Å; V198-F215 HydrophobicContact CB-CE2 3.97Å; V198-F215 HydrophobicContact CG2-CD2 3.94Å; V198-F215 HydrophobicContact CG2-CE2 4.05Å; F200-F215 AromaticContact CE2-CE2 3.62Å; F200-F215 HydrophobicContact CE2-CE2 3.62Å; F200-F215 AromaticContact CE2-CZ 3.71Å; F200-F215 HydrophobicContact CE2-CZ 3.71Å; F200-F215 AromaticContact CZ-CE2 3.75Å; F200-F215 HydrophobicContact CZ-CE2 3.75Å; F200-F215 AromaticContact CZ-CZ 3.76Å; F200-F215 HydrophobicContact CZ-CZ 3.76Å; C213-F215 HydrophobicContact CB-CD2 4.45Å; C213-F215 HydrophobicContact CB-CE2 3.84Å; C213-F215 HydrophobicContact CB-CZ 4.25Å; F215-K219 WeakPolarHBondContact CA-O 3.37Å; F215-L220 HydrophobicContact CD1-CB 4.23Å; F215-L220 HydrophobicContact CD1-CD1 4.27Å; F215-L220 HydrophobicContact CE1-CB 4.02Å; F215-L220 HydrophobicContact CE1-CD1 3.73Å; F215-L220 HydrophobicContact CE1-CD2 4.37Å; F215-L220 HydrophobicContact CE1-CG 4.25Å; F215-L220 HydrophobicContact CE2-CD1 4.47Å; F215-L220 HydrophobicContact CZ-CD1 3.86Å; F215-F392 HydrophobicContact CD1-CZ 4.26Å; F215-F392 HydrophobicContact CE1-CZ 4.24Å |
| 216 | N | 96.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 20.3 Ų | 20.3 | 9% | 0.086 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 171 | 157.5 | -58 | 95.4 | 0 | 0 | 0 | 108.6 | P189 P190 L191 E193 G218 K219 | P189-N216 CarbonylContact O-C 3.43Å; P189-N216 VanDerWaalsContact O-CA 3.28Å; P189-N216 WeakPolarHBondContact O-CA 3.23Å; P190-N216 PolarHBondContact O-ND2 2.85Å; L191-N216 HydrophobicContact CD2-CB 3.82Å; L191-N216 HydrophobicContact CG-CB 4.47Å; E193-N216 PolarHBondContact O-ND2 2.91Å; E193-N216 VanDerWaalsContact O-ND2 3.14Å; N216-G218 PolarHBondContact O-N 3.47Å; N216-K219 HydrophobicContact CB-CB 4.4Å; N216-K219 PolarHBondContact N-O 3.29Å; N216-K219 PolarHBondContact O-N 3.06Å |
| 217 | K | 93.4 | Very high | 96.6 | Very high | 128 Ų | 128 | 21.8 Ų | 21.8 | 56% | 0.557 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 106.9 | 178.3 | -172.3 | 175.9 | -178 | 177.1 | 0 | 110.9 | P189 | P189-K217 PolarHBondContact O-N 2.9Š|
| 218 | G | 91.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 19% | 0.186 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 14.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | N216 F392 S393 | N216-G218 PolarHBondContact O-N 3.47Å; G218-F392 CarbonylContact O-C 3.46Å; G218-F392 WeakPolarHBondContact O-CA 3.5Å; G218-S393 PolarHBondContact O-N 3.44Å |
| 219 | K | 95 | Very high | 96.4 | Very high | 86 Ų | 86 | 23.2 Ų | 23.2 | 37% | 0.374 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 126.8 | -176.1 | -173.9 | -179.4 | 179.5 | -175.2 | 0 | 112.6 | L191 F215 N216 S393 | L191-K219 HydrophobicContact CD2-CB 4Å; L191-K219 HydrophobicContact CD2-CD 3.65Å; F215-K219 WeakPolarHBondContact CA-O 3.37Å; N216-K219 HydrophobicContact CB-CB 4.4Å; N216-K219 PolarHBondContact N-O 3.29Å; N216-K219 PolarHBondContact O-N 3.06Å; K219-S393 WeakPolarHBondContact CA-O 3.12Å |
| 220 | L | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.9 | 169.4 | 162.5 | 58.9 | 0 | 0 | 0 | 109 | T175 A178 C213 F215 F392 S393 I394 T395 | T175-L220 HydrophobicContact CG2-CD2 4.37Å; A178-L220 HydrophobicContact CB-CD1 4.04Å; A178-L220 HydrophobicContact CB-CD2 3.66Å; C213-L220 HydrophobicContact CB-CD1 3.65Å; F215-L220 HydrophobicContact CD1-CB 4.23Å; F215-L220 HydrophobicContact CD1-CD1 4.27Å; F215-L220 HydrophobicContact CE1-CB 4.02Å; F215-L220 HydrophobicContact CE1-CD1 3.73Å; F215-L220 HydrophobicContact CE1-CD2 4.37Å; F215-L220 HydrophobicContact CE1-CG 4.25Å; F215-L220 HydrophobicContact CE2-CD1 4.47Å; F215-L220 HydrophobicContact CZ-CD1 3.86Å; L220-F392 HydrophobicContact CB-CE1 3.5Å; L220-F392 HydrophobicContact CB-CZ 3.89Å; L220-F392 HydrophobicContact CD2-CE1 4.33Å; L220-S393 PolarHBondContact N-O 3.07Å; L220-I394 HydrophobicContact CD2-CG1 4.49Å; L220-I394 HydrophobicContact CD2-CG2 4.07Å; L220-I394 HydrophobicContact CG-CG2 4.34Å; L220-I394 WeakPolarHBondContact O-CA 3.43Å; L220-T395 PolarHBondContact O-N 2.96Å |
| 221 | K | 96.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 27.4 Ų | 27.4 | 40% | 0.4 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.6 | 164.3 | -177.5 | -167.3 | 172.1 | -160.1 | 0 | 109.1 | A214 L223 T395 | A214-K221 PolarHBondContact N-O 2.85Å; A214-K221 PolarHBondContact O-N 3.37Å; K221-L223 HydrophobicContact CD-CD2 3.84Å; K221-L223 HydrophobicContact CG-CD2 4.24Å; K221-T395 HydrophobicContact CG-CG2 4.35Å |
| 222 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 131.2 | 165.4 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | T175 S211 T395 L397 | T175-V222 HydrophobicContact CG2-CG2 4.17Å; S211-V222 WeakPolarHBondContact OG-CG1 3.43Å; V222-T395 PolarHBondContact N-O 3.21Å; V222-L397 HydrophobicContact CB-CD1 4.21Å; V222-L397 HydrophobicContact CB-CG 3.95Å; V222-L397 HydrophobicContact CG1-CD1 3.67Å; V222-L397 HydrophobicContact CG1-CG 3.86Å; V222-L397 WeakPolarHBondContact O-CD2 3.32Å |
| 223 | L | 96.7 | Very high | 96.1 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 20% | 0.204 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -47.6 | -176.9 | -62.3 | -174.2 | 0 | 0 | 0 | 112.2 | V212 A214 K221 A328 L330 L397 | V212-L223 HydrophobicContact CG1-CD1 4.2Å; V212-L223 PolarHBondContact O-N 3.47Å; A214-L223 HydrophobicContact CB-CD1 4.08Å; A214-L223 HydrophobicContact CB-CD2 3.93Å; A214-L223 HydrophobicContact CB-CG 4.01Å; K221-L223 HydrophobicContact CD-CD2 3.84Å; K221-L223 HydrophobicContact CG-CD2 4.24Å; L223-A328 HydrophobicContact CB-CB 4.25Å; L223-L330 HydrophobicContact CD1-CD1 4Å; L223-L397 WeakPolarHBondContact O-CD1 3.34Å |
| 224 | A | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 154.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S211 V212 V324 Q327 A328 | S211-A224 WeakPolarHBondContact CA-O 3.42Å; S211-A224 PolarHBondContact OG-O 3.29Å; V212-A224 PolarHBondContact N-O 2.83Å; A224-V324 HydrophobicContact CB-CG2 3.98Å; A224-Q327 HydrophobicContact CB-CB 3.65Å; A224-A328 HydrophobicContact CB-CB 4.1Å |
| 225 | T | 96.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.7 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | S146 V210 S211 | S146-T225 WeakPolarHBondContact OG-CG2 3.31Å; V210-T225 CarbonylContact O-C 3.55Å; V210-T225 VanDerWaalsContact O-CA 3.3Å; V210-T225 WeakPolarHBondContact O-CA 3.34Å; S211-T225 PolarHBondContact OG-OG1 3.44Å |
| 226 | T | 96.4 | Very high | 96 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 166 | 177.5 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | V210 P320 A323 V324 | V210-T226 PolarHBondContact N-O 3.17Å; V210-T226 PolarHBondContact O-N 3.42Å; T226-P320 PolarHBondContact OG1-O 3.33Å; T226-A323 HydrophobicContact CG2-CB 3.9Å; T226-V324 HydrophobicContact CG2-CB 3.95Å; T226-V324 HydrophobicContact CG2-CG2 4.14Å |
| 227 | F | 96.6 | Very high | 96 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 20% | 0.197 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 156.9 | -169.5 | 39.4 | -96.4 | 0 | 0 | 0 | 112.4 | F147 Y208 Q209 P399 Y400 | F147-F227 HydrophobicContact CB-CD1 3.78Å; F147-F227 HydrophobicContact CB-CD2 3.6Å; F147-F227 HydrophobicContact CB-CE1 3.75Å; F147-F227 HydrophobicContact CB-CE2 3.56Å; F147-F227 HydrophobicContact CB-CG 3.72Å; F147-F227 HydrophobicContact CB-CZ 3.65Å; F147-F227 HydrophobicContact CD1-CB 3.89Å; F147-F227 HydrophobicContact CD1-CD1 4.41Å; F147-F227 HydrophobicContact CD1-CD2 4.21Å; F147-F227 AromaticContact CD1-CG 3.9Å; F147-F227 HydrophobicContact CD1-CG 3.9Å; F147-F227 HydrophobicContact CG-CD2 4.15Å; F147-F227 HydrophobicContact CG-CG 4.2Å; Y208-F227 CarbonylContact O-C 3.56Å; Y208-F227 WeakPolarHBondContact O-CA 3.43Å; Y208-F227 VanDerWaalsContact O-CB 3.3Å; Y208-F227 WeakPolarHBondContact O-CB 3.22Å; Q209-F227 HydrophobicContact CG-CB 4.34Å; F227-P399 HydrophobicContact CE1-CB 3.82Å; F227-P399 HydrophobicContact CZ-CB 4.19Å; F227-Y400 HydrophobicContact CE2-CE1 4.49Å; F227-Y400 AromaticContact CZ-CE1 3.88Å; F227-Y400 HydrophobicContact CZ-CE1 3.88Å; F227-Y400 WeakPolarHBondContact CZ-OH 3.41Å |
| 228 | D | 96.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 106.8 | 157.7 | -176.9 | -28.1 | 0 | 0 | 0 | 107.7 | Y208 Y230 L231 R316 P320 | Y208-D228 HydrophobicContact CD1-CB 4.32Å; Y208-D228 PolarHBondContact N-O 2.89Å; Y208-D228 PolarHBondContact O-N 2.71Å; D228-Y230 PolarHBondContact O-N 2.9Å; D228-Y230 WeakPolarHBondContact OD1-CA 3.45Å; D228-Y230 PolarHBondContact OD1-N 3Å; D228-L231 HydrophobicContact CB-CB 3.92Å; D228-L231 PolarHBondContact OD1-N 2.86Å; D228-R316 IonicContact OD1-CZ 3.64Å; D228-R316 IonicContact OD1-NH2 3.41Å; D228-R316 PolarHBondContact OD1-NH2 2.98Å; D228-R316 IonicContact OD2-CZ 2.67Å; D228-R316 IonicContact OD2-NE 2.69Å; D228-R316 PolarHBondContact OD2-NE 2.73Å; D228-R316 IonicContact OD2-NH2 2.65Å; D228-R316 PolarHBondContact OD2-NH2 2.83Å; D228-P320 HydrophobicContact CB-CG 4.37Å |
| 229 | P | 94.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 10% | 0.097 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 4.2 | -175.6 | 32.6 | -31 | 0 | 0 | 0 | 112.8 | K69 F147 P453 | K69-P229 WeakPolarHBondContact CE-O 3.3Å; K69-P229 PolarHBondContact NZ-O 3.3Å; F147-P229 HydrophobicContact CD1-CB 4.32Å; F147-P229 HydrophobicContact CD2-CB 3.9Å; F147-P229 HydrophobicContact CE1-CB 4.06Å; F147-P229 HydrophobicContact CE2-CB 3.63Å; F147-P229 HydrophobicContact CG-CB 4.25Å; F147-P229 HydrophobicContact CZ-CB 3.71Å; P229-P453 HydrophobicContact CG-CB 3.83Å; P229-P453 HydrophobicContact CG-CG 4.31Å |
| 230 | Y | 93.6 | Very high | 96.6 | Very high | 89 Ų | 89 | 20.8 Ų | 20.8 | 35% | 0.349 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 20.3 | 179.3 | -44.1 | -70 | 0 | 0 | 0 | 112.6 | I79 D228 N235 R316 | I79-Y230 HydrophobicContact CD1-CE1 4.4Å; I79-Y230 WeakPolarHBondContact CD1-OH 3.1Å; I79-Y230 HydrophobicContact CG1-CE1 4.33Å; I79-Y230 HydrophobicContact CG2-CE1 4.38Å; D228-Y230 PolarHBondContact O-N 2.9Å; D228-Y230 WeakPolarHBondContact OD1-CA 3.45Å; D228-Y230 PolarHBondContact OD1-N 3Å; Y230-N235 PolarHBondContact O-OD1 3.03Å; Y230-R316 PolarHBondContact O-NH2 2.83Å |
| 231 | L | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -125.7 | 116 | 174.1 | 180 | 67.9 | 0 | 0 | 0 | 109.6 | M203 A207 Y208 D228 N235 F236 L313 R316 V317 | M203-L231 HydrophobicContact CE-CD2 4.17Å; M203-L231 HydrophobicContact CE-CG 4.45Å; A207-L231 CarbonylContact C-O 3.56Å; A207-L231 WeakPolarHBondContact CA-O 3.36Å; A207-L231 PolarHBondContact N-O 2.68Å; Y208-L231 WeakPolarHBondContact CB-O 3.35Å; Y208-L231 HydrophobicContact CD1-CD2 3.9Å; Y208-L231 HydrophobicContact CG-CD2 4.22Å; Y208-L231 PolarHBondContact N-O 3.19Å; D228-L231 HydrophobicContact CB-CB 3.92Å; D228-L231 PolarHBondContact OD1-N 2.86Å; L231-N235 WeakPolarHBondContact CA-OD1 3.39Å; L231-F236 HydrophobicContact CD1-CE2 4.44Å; L231-L313 HydrophobicContact CD1-CB 3.96Å; L231-L313 HydrophobicContact CD1-CD2 4.22Å; L231-R316 HydrophobicContact CD1-CB 4.47Å; L231-R316 HydrophobicContact CD2-CB 3.84Å; L231-V317 HydrophobicContact CD2-CG2 4.27Å | ||
| 232 | G | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -169.7 | -175.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H205 R234 N235 F236 | H205-G232 CarbonylContact O-C 3.42Å; G232-R234 PolarHBondContact O-N 2.88Å; G232-N235 PolarHBondContact N-OD1 3.49Å; G232-N235 PolarHBondContact O-N 2.99Å; G232-N235 PolarHBondContact O-OD1 3.16Å; G232-F236 WeakPolarHBondContact O-CD2 3.31Å |
| 233 | G | 97.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -45.7 | -36.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G204 H205 N235 F236 D237 K274 | G204-G233 PolarHBondContact O-N 2.93Å; H205-G233 PolarHBondContact O-N 2.77Å; G233-N235 PolarHBondContact O-N 3.36Å; G233-F236 PolarHBondContact O-N 2.62Å; G233-D237 PolarHBondContact O-N 3.37Å; G233-K274 PolarHBondContact O-NZ 3.31Å |
| 234 | R | 95.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 22 Ų | 22 | 11% | 0.106 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 176.2 | 178.8 | 173.5 | 140.4 | -171.1 | -14.8 | 113.5 | E83 H205 G232 F236 D237 E238 | E83-R234 VanDerWaalsContact CD-NH2 3.33Å; E83-R234 IonicContact OE1-CZ 2.69Å; E83-R234 IonicContact OE1-NH1 2.74Å; E83-R234 PolarHBondContact OE1-NH1 2.92Å; E83-R234 IonicContact OE1-NH2 2.75Å; E83-R234 PolarHBondContact OE1-NH2 3.16Å; E83-R234 IonicContact OE2-CZ 3.23Å; E83-R234 IonicContact OE2-NH1 2.69Å; E83-R234 PolarHBondContact OE2-NH1 3.19Å; E83-R234 IonicContact OE2-NH2 2.92Å; E83-R234 PolarHBondContact OE2-NH2 2.76Å; E83-R234 VanDerWaalsContact OE2-NH2 3.14Å; H205-R234 VanDerWaalsContact O-CB 3.24Å; H205-R234 WeakPolarHBondContact O-CB 3.38Å; H205-R234 PolarHBondContact O-N 3.48Å; G232-R234 PolarHBondContact O-N 2.88Å; R234-F236 VanDerWaalsContact C-N 3.25Å; R234-F236 PolarHBondContact O-N 2.82Å; R234-D237 WeakPolarHBondContact O-CB 3.48Å; R234-D237 PolarHBondContact O-N 3.41Å; R234-D237 VanDerWaalsContact O-N 3.1Å; R234-E238 WeakPolarHBondContact O-CB 3.27Å; R234-E238 PolarHBondContact O-N 3.26Å |
| 235 | N | 97.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 22.2 Ų | 22.2 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.8 | -32.1 | -175.3 | -58.8 | 102.6 | 0 | 0 | 0 | 111 | Y230 L231 G232 G233 A239 L313 | Y230-N235 PolarHBondContact O-OD1 3.03Å; L231-N235 WeakPolarHBondContact CA-OD1 3.39Å; G232-N235 PolarHBondContact N-OD1 3.49Å; G232-N235 PolarHBondContact O-N 2.99Å; G232-N235 PolarHBondContact O-OD1 3.16Å; G233-N235 PolarHBondContact O-N 3.36Å; N235-A239 PolarHBondContact O-N 2.77Å; N235-A239 VanDerWaalsContact O-N 3.07Å; N235-L313 HydrophobicContact CB-CD1 3.73Å; N235-L313 HydrophobicContact CB-CD2 3.98Å; N235-L313 WeakPolarHBondContact O-CD1 3.3Å |
| 236 | F | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.7 | -32.5 | 170.7 | -59.7 | -86.9 | 0 | 0 | 0 | 112.5 | M203 L231 G232 G233 R234 L240 K274 F306 C310 L313 L314 I347 V350 | M203-F236 HydrophobicContact SD-CE2 4.1Å; L231-F236 HydrophobicContact CD1-CE2 4.44Å; G232-F236 WeakPolarHBondContact O-CD2 3.31Å; G233-F236 PolarHBondContact O-N 2.62Å; R234-F236 VanDerWaalsContact C-N 3.25Å; R234-F236 PolarHBondContact O-N 2.82Å; F236-L240 PolarHBondContact O-N 3.44Å; F236-K274 HydrophobicContact CB-CD 3.7Å; F236-F306 HydrophobicContact CB-CE2 3.99Å; F236-F306 HydrophobicContact CB-CZ 3.91Å; F236-F306 HydrophobicContact CD1-CE2 4.32Å; F236-F306 AromaticContact CD1-CZ 3.88Å; F236-F306 HydrophobicContact CD1-CZ 3.88Å; F236-F306 HydrophobicContact CG-CZ 4.28Å; F236-C310 HydrophobicContact CD1-CB 3.73Å; F236-C310 HydrophobicContact CE1-CB 3.91Å; F236-L313 HydrophobicContact CD1-CD1 4.22Å; F236-L313 HydrophobicContact CE1-CB 4.09Å; F236-L313 HydrophobicContact CE1-CD1 4.41Å; F236-L313 HydrophobicContact CG-CD1 4.38Å; F236-L313 HydrophobicContact CZ-CB 4.17Å; F236-L314 HydrophobicContact CE1-CD2 4.05Å; F236-L314 HydrophobicContact CE1-CG 4.35Å; F236-L314 HydrophobicContact CZ-CD2 4.37Å; F236-I347 HydrophobicContact CB-CD1 4.4Å; F236-I347 HydrophobicContact CD1-CD1 4.04Å; F236-I347 HydrophobicContact CD2-CD1 3.91Å; F236-I347 HydrophobicContact CE1-CD1 4.28Å; F236-I347 HydrophobicContact CE2-CD1 4.16Å; F236-I347 HydrophobicContact CG-CD1 3.86Å; F236-I347 HydrophobicContact CZ-CD1 4.34Å; F236-V350 HydrophobicContact CZ-CG2 4.06Å |
| 237 | D | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -45.2 | 171.4 | -60.7 | -44.7 | 0 | 0 | 0 | 111.1 | H205 G233 R234 A239 L240 V241 Y267 E271 K274 | H205-D237 IonicContact CE1-OD2 3.16Å; G233-D237 PolarHBondContact O-N 3.37Å; R234-D237 WeakPolarHBondContact O-CB 3.48Å; R234-D237 PolarHBondContact O-N 3.41Å; R234-D237 VanDerWaalsContact O-N 3.1Å; D237-A239 PolarHBondContact O-N 3.2Å; D237-L240 WeakPolarHBondContact O-CB 3.28Å; D237-L240 PolarHBondContact O-N 3.5Å; D237-L240 VanDerWaalsContact O-N 3.16Å; D237-V241 WeakPolarHBondContact O-CG2 3.4Å; D237-V241 PolarHBondContact O-N 3.4Å; D237-Y267 HydrophobicContact CB-CD1 4.21Å; D237-Y267 HydrophobicContact CB-CE1 4.3Å; D237-E271 VanDerWaalsContact OD1-CA 3.31Å; D237-E271 WeakPolarHBondContact OD1-CA 3.42Å; D237-K274 WeakPolarHBondContact OD1-CD 3.44Å; D237-K274 VanDerWaalsContact OD1-CE 3.31Å; D237-K274 WeakPolarHBondContact OD1-CE 3.35Å; D237-K274 IonicContact OD1-NZ 2.92Å; D237-K274 PolarHBondContact OD1-NZ 3.48Å; D237-K274 IonicContact OD2-NZ 3.26Å; D237-K274 PolarHBondContact OD2-NZ 3.31Å |
| 238 | E | 96.1 | Very high | 96.8 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 15% | 0.15 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 179.3 | -174.5 | 161.8 | -110.7 | 0 | 0 | 111.8 | R86 R234 L240 V241 D242 Y267 | R86-E238 IonicContact CZ-OE1 3.68Å; R86-E238 IonicContact CZ-OE2 2.75Å; R86-E238 IonicContact NE-OE1 3.71Å; R86-E238 IonicContact NH1-OE1 2.69Å; R86-E238 PolarHBondContact NH1-OE1 3.15Å; R86-E238 IonicContact NH1-OE2 3.15Å; R86-E238 PolarHBondContact NH1-OE2 3.17Å; R234-E238 WeakPolarHBondContact O-CB 3.27Å; R234-E238 PolarHBondContact O-N 3.26Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 2.91Å; E238-V241 PolarHBondContact O-N 2.83Å; E238-D242 WeakPolarHBondContact O-CB 3.23Å; E238-D242 PolarHBondContact O-N 3.2Å; E238-Y267 HydrophobicContact CB-CE1 4.47Å |
| 239 | A | 97.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -35 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N235 D237 Y243 | N235-A239 PolarHBondContact O-N 2.77Å; N235-A239 VanDerWaalsContact O-N 3.07Å; D237-A239 PolarHBondContact O-N 3.2Å; A239-Y243 PolarHBondContact O-N 3.22Å |
| 240 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.7 | -43.5 | 172.9 | -73 | 170.1 | 0 | 0 | 0 | 111.6 | F236 D237 E238 D242 Y243 F244 C270 K274 M277 M301 F306 | F236-L240 PolarHBondContact O-N 3.44Å; D237-L240 WeakPolarHBondContact O-CB 3.28Å; D237-L240 PolarHBondContact O-N 3.5Å; D237-L240 VanDerWaalsContact O-N 3.16Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 2.91Å; L240-D242 PolarHBondContact O-N 2.84Å; L240-Y243 PolarHBondContact O-N 3.07Å; L240-F244 HydrophobicContact CB-CE2 4.47Å; L240-F244 HydrophobicContact CD2-CE2 4.31Å; L240-F244 WeakPolarHBondContact O-CD2 3.39Å; L240-F244 PolarHBondContact O-N 3.09Å; L240-C270 HydrophobicContact CB-CB 3.92Å; L240-C270 HydrophobicContact CD1-CB 4.39Å; L240-K274 HydrophobicContact CD1-CB 4.07Å; L240-M277 HydrophobicContact CD1-CE 3.84Å; L240-M277 HydrophobicContact CD2-CE 4.17Å; L240-M301 HydrophobicContact CD2-CE 3.94Å; L240-M301 HydrophobicContact CD2-CG 4.04Å; L240-M301 HydrophobicContact CD2-SD 4.42Å; L240-F306 HydrophobicContact CD1-CD2 3.91Å; L240-F306 HydrophobicContact CD1-CE2 3.93Å; L240-F306 HydrophobicContact CD2-CD2 3.76Å; L240-F306 HydrophobicContact CG-CD2 3.8Å; L240-F306 HydrophobicContact CG-CE2 4.07Å |
| 241 | V | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -44 | 178.3 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | D237 E238 F244 C245 L263 L266 Y267 C270 | D237-V241 WeakPolarHBondContact O-CG2 3.4Å; D237-V241 PolarHBondContact O-N 3.4Å; E238-V241 PolarHBondContact O-N 2.83Å; V241-F244 PolarHBondContact O-N 3.22Å; V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.25Å; V241-C245 PolarHBondContact O-N 3.26Å; V241-C245 PolarHBondContact O-SG 2.93Å; V241-L263 HydrophobicContact CG1-CD1 3.64Å; V241-L266 HydrophobicContact CG1-CD2 4.18Å; V241-L266 HydrophobicContact CG1-CG 4.47Å; V241-L266 HydrophobicContact CG2-CG 4.3Å; V241-Y267 HydrophobicContact CB-CE1 4.39Å; V241-Y267 HydrophobicContact CB-CE2 4.44Å; V241-Y267 HydrophobicContact CG1-CD2 4.26Å; V241-Y267 HydrophobicContact CG1-CE2 3.91Å; V241-Y267 HydrophobicContact CG2-CD1 3.68Å; V241-Y267 HydrophobicContact CG2-CD2 4.03Å; V241-Y267 HydrophobicContact CG2-CE1 3.82Å; V241-Y267 HydrophobicContact CG2-CE2 4.18Å; V241-Y267 HydrophobicContact CG2-CG 3.77Å; V241-C270 HydrophobicContact CG2-CB 3.91Å |
| 242 | D | 96.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.7 | -82.8 | -26.7 | 0 | 0 | 0 | 111.7 | E238 L240 F244 C245 D246 K257 | E238-D242 WeakPolarHBondContact O-CB 3.23Å; E238-D242 PolarHBondContact O-N 3.2Å; L240-D242 PolarHBondContact O-N 2.84Å; D242-F244 PolarHBondContact O-N 3.42Å; D242-C245 WeakPolarHBondContact O-CB 3.23Å; D242-C245 PolarHBondContact O-N 3.35Å; D242-D246 PolarHBondContact O-N 3.14Å; D242-D246 VanDerWaalsContact O-N 3.09Å; D242-K257 WeakPolarHBondContact OD1-CE 3.47Å; D242-K257 IonicContact OD1-NZ 2.79Å; D242-K257 PolarHBondContact OD1-NZ 2.73Å |
| 243 | Y | 97.8 | Very high | 96.7 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 35% | 0.349 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.4 | -50.3 | 175.1 | 173.5 | -89.8 | 0 | 0 | 0 | 112.2 | A239 L240 D246 E247 M301 L309 | A239-Y243 PolarHBondContact O-N 3.22Å; L240-Y243 PolarHBondContact O-N 3.07Å; Y243-D246 PolarHBondContact O-N 3.29Å; Y243-E247 PolarHBondContact O-N 2.88Å; Y243-M301 HydrophobicContact CD1-CE 3.45Å; Y243-M301 VanDerWaalsContact CD1-CE 3.45Å; Y243-M301 HydrophobicContact CE1-CE 3.41Å; Y243-M301 VanDerWaalsContact CE1-CE 3.41Å; Y243-M301 HydrophobicContact CG-CE 4.09Å; Y243-L309 HydrophobicContact CD2-CD1 3.92Å; Y243-L309 HydrophobicContact CD2-CD2 3.98Å; Y243-L309 HydrophobicContact CG-CD1 3.97Å |
| 244 | F | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.8 | -29.4 | -179.5 | -70.4 | -59.3 | 0 | 0 | 0 | 113 | L240 V241 D242 F248 L266 L273 L286 M301 | L240-F244 HydrophobicContact CB-CE2 4.47Å; L240-F244 HydrophobicContact CD2-CE2 4.31Å; L240-F244 WeakPolarHBondContact O-CD2 3.39Å; L240-F244 PolarHBondContact O-N 3.09Å; V241-F244 PolarHBondContact O-N 3.22Å; D242-F244 PolarHBondContact O-N 3.42Å; F244-F248 HydrophobicContact CB-CE1 4.47Å; F244-F248 HydrophobicContact CB-CE2 4.12Å; F244-F248 HydrophobicContact CB-CZ 4.09Å; F244-F248 HydrophobicContact CD1-CE1 4.17Å; F244-F248 HydrophobicContact CD1-CZ 4.14Å; F244-F248 HydrophobicContact CG-CZ 4.37Å; F244-F248 VanDerWaalsContact O-CB 3.27Å; F244-F248 WeakPolarHBondContact O-CB 3.43Å; F244-F248 WeakPolarHBondContact O-CD1 3.5Å; F244-F248 WeakPolarHBondContact O-CD2 3.43Å; F244-F248 WeakPolarHBondContact O-CG 3.43Å; F244-F248 PolarHBondContact O-N 3Å; F244-L266 HydrophobicContact CB-CD1 4.01Å; F244-L266 HydrophobicContact CB-CD2 4.11Å; F244-L266 HydrophobicContact CD2-CD1 4.49Å; F244-L273 HydrophobicContact CE2-CD2 3.73Å; F244-L273 HydrophobicContact CZ-CD2 3.84Å; F244-L286 HydrophobicContact CD2-CD1 4.1Å; F244-L286 HydrophobicContact CE2-CD1 3.83Å; F244-L286 HydrophobicContact CZ-CB 4.38Å; F244-L286 HydrophobicContact CZ-CD1 4.25Å; F244-M301 HydrophobicContact CE1-CE 4.41Å; F244-M301 HydrophobicContact CE2-CE 4.32Å; F244-M301 HydrophobicContact CZ-CB 4.23Å; F244-M301 HydrophobicContact CZ-CE 3.88Å |
| 245 | C | 96.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 170 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | V241 D242 K249 | V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.25Å; V241-C245 PolarHBondContact O-N 3.26Å; V241-C245 PolarHBondContact O-SG 2.93Å; D242-C245 WeakPolarHBondContact O-CB 3.23Å; D242-C245 PolarHBondContact O-N 3.35Å; C245-K249 WeakPolarHBondContact O-CB 3.34Å; C245-K249 PolarHBondContact O-N 2.72Å |
| 246 | D | 97.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 44.5 Ų | 44.5 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -74.9 | -34.4 | 179.9 | -73.1 | -19.3 | 0 | 0 | 0 | 112.3 | D242 Y243 T250 | D242-D246 PolarHBondContact O-N 3.14Å; D242-D246 VanDerWaalsContact O-N 3.09Å; Y243-D246 PolarHBondContact O-N 3.29Å; D246-T250 WeakPolarHBondContact O-CB 3.4Å; D246-T250 PolarHBondContact O-N 3.14Å; D246-T250 VanDerWaalsContact O-N 3.1Å; D246-T250 PolarHBondContact O-OG1 3.09Å |
| 247 | E | 96.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 49.3 Ų | 49.3 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -51.1 | 169.1 | -165.6 | -157.5 | 155.9 | 0 | 0 | 110.6 | Y243 K249 T250 K251 S299 | Y243-E247 PolarHBondContact O-N 2.88Å; E247-K249 PolarHBondContact O-N 2.68Å; E247-T250 CarbonylContact O-C 3.47Å; E247-T250 WeakPolarHBondContact O-CA 3.28Å; E247-T250 WeakPolarHBondContact O-CB 3.22Å; E247-T250 PolarHBondContact O-N 2.75Å; E247-K251 HydrophobicContact CG-CD 4.24Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 PolarHBondContact O-N 3.18Å; E247-K251 WeakPolarHBondContact OE1-CD 3.47Å; E247-K251 WeakPolarHBondContact OE1-CE 3.44Å; E247-K251 IonicContact OE1-NZ 2.78Å; E247-K251 PolarHBondContact OE1-NZ 3.07Å; E247-S299 VanDerWaalsContact CD-OG 3.25Å; E247-S299 PolarHBondContact OE1-OG 3.3Å; E247-S299 VanDerWaalsContact OE2-CB 3.23Å; E247-S299 WeakPolarHBondContact OE2-CB 3.29Å; E247-S299 PolarHBondContact OE2-OG 2.95Å |
| 248 | F | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.6 | -34 | -174.2 | -61.6 | -12.2 | 0 | 0 | 0 | 112.5 | F244 T250 Y252 K253 I254 V256 L266 L286 F291 V297 | F244-F248 HydrophobicContact CB-CE1 4.47Å; F244-F248 HydrophobicContact CB-CE2 4.12Å; F244-F248 HydrophobicContact CB-CZ 4.09Å; F244-F248 HydrophobicContact CD1-CE1 4.17Å; F244-F248 HydrophobicContact CD1-CZ 4.14Å; F244-F248 HydrophobicContact CG-CZ 4.37Å; F244-F248 VanDerWaalsContact O-CB 3.27Å; F244-F248 WeakPolarHBondContact O-CB 3.43Å; F244-F248 WeakPolarHBondContact O-CD1 3.5Å; F244-F248 WeakPolarHBondContact O-CD2 3.43Å; F244-F248 WeakPolarHBondContact O-CG 3.43Å; F244-F248 PolarHBondContact O-N 3Å; F248-T250 PolarHBondContact O-N 3.16Å; F248-Y252 HydrophobicContact CB-CD2 4.17Å; F248-Y252 AromaticContact CD1-CD2 3.75Å; F248-Y252 HydrophobicContact CD1-CD2 3.75Å; F248-Y252 AromaticContact CD1-CE2 3.87Å; F248-Y252 HydrophobicContact CD1-CE2 3.87Å; F248-Y252 HydrophobicContact CE1-CD2 4.48Å; F248-Y252 HydrophobicContact CE1-CE2 4.18Å; F248-Y252 HydrophobicContact CG-CD2 4.11Å; F248-Y252 CarbonylContact O-C 3.46Å; F248-Y252 WeakPolarHBondContact O-CA 3.46Å; F248-Y252 WeakPolarHBondContact O-CB 3.36Å; F248-Y252 PolarHBondContact O-N 3.17Å; F248-K253 PolarHBondContact O-N 3.16Å; F248-I254 HydrophobicContact CB-CD1 4.19Å; F248-I254 HydrophobicContact CB-CG1 3.98Å; F248-V256 HydrophobicContact CB-CG2 4.47Å; F248-V256 HydrophobicContact CD2-CG2 4.24Å; F248-L266 HydrophobicContact CE2-CD1 4.02Å; F248-L286 HydrophobicContact CE2-CD2 4.4Å; F248-L286 HydrophobicContact CZ-CD2 3.75Å; F248-F291 AromaticContact CD2-CE1 3.8Å; F248-F291 HydrophobicContact CD2-CE1 3.8Å; F248-F291 HydrophobicContact CD2-CZ 4.37Å; F248-F291 HydrophobicContact CE2-CE1 4.08Å; F248-F291 HydrophobicContact CE2-CZ 4.37Å; F248-V297 HydrophobicContact CD1-CB 4.5Å; F248-V297 HydrophobicContact CD2-CB 4.3Å; F248-V297 HydrophobicContact CD2-CG1 4.17Å; F248-V297 HydrophobicContact CD2-CG2 4.28Å; F248-V297 HydrophobicContact CE1-CB 4.15Å; F248-V297 HydrophobicContact CE2-CB 3.92Å; F248-V297 HydrophobicContact CE2-CG1 4.29Å; F248-V297 HydrophobicContact CE2-CG2 3.61Å; F248-V297 HydrophobicContact CG-CG1 4.32Å; F248-V297 HydrophobicContact CZ-CB 3.84Å; F248-V297 HydrophobicContact CZ-CG2 3.8Å |
| 249 | K | 95.6 | Very high | 95.3 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -33.3 | 168.6 | -174.2 | 173.9 | 179.7 | 177.2 | 0 | 112.3 | C245 E247 K253 I254 | C245-K249 WeakPolarHBondContact O-CB 3.34Å; C245-K249 PolarHBondContact O-N 2.72Å; E247-K249 PolarHBondContact O-N 2.68Å; K249-K253 WeakPolarHBondContact O-CA 3.44Å; K249-I254 VanDerWaalsContact CA-O 3.28Å; K249-I254 WeakPolarHBondContact CA-O 3.5Å; K249-I254 PolarHBondContact N-O 3.16Å |
| 250 | T | 96.2 | Very high | 94.9 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -80.3 | -44.8 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | D246 E247 F248 K253 | D246-T250 WeakPolarHBondContact O-CB 3.4Å; D246-T250 PolarHBondContact O-N 3.14Å; D246-T250 VanDerWaalsContact O-N 3.1Å; D246-T250 PolarHBondContact O-OG1 3.09Å; E247-T250 CarbonylContact O-C 3.47Å; E247-T250 WeakPolarHBondContact O-CA 3.28Å; E247-T250 WeakPolarHBondContact O-CB 3.22Å; E247-T250 PolarHBondContact O-N 2.75Å; F248-T250 PolarHBondContact O-N 3.16Å; T250-K253 WeakPolarHBondContact O-CE 3.46Å; T250-K253 PolarHBondContact O-NZ 3.34Å |
| 251 | K | 95.9 | Very high | 94.6 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -90.3 | -46.3 | -168.6 | -178.1 | 177.4 | 177.6 | -176 | 0 | 113.6 | E247 S298 | E247-K251 HydrophobicContact CG-CD 4.24Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 PolarHBondContact O-N 3.18Å; E247-K251 WeakPolarHBondContact OE1-CD 3.47Å; E247-K251 WeakPolarHBondContact OE1-CE 3.44Å; E247-K251 IonicContact OE1-NZ 2.78Å; E247-K251 PolarHBondContact OE1-NZ 3.07Å; K251-S298 PolarHBondContact NZ-O 2.97Å |
| 252 | Y | 93.8 | Very high | 94.5 | Very high | 62 Ų | 62 | 65.1 Ų | 65.1 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -6 | -176.8 | -61.5 | -75.8 | 0 | 0 | 0 | 113.5 | F248 I254 V297 S298 | F248-Y252 HydrophobicContact CB-CD2 4.17Å; F248-Y252 AromaticContact CD1-CD2 3.75Å; F248-Y252 HydrophobicContact CD1-CD2 3.75Å; F248-Y252 AromaticContact CD1-CE2 3.87Å; F248-Y252 HydrophobicContact CD1-CE2 3.87Å; F248-Y252 HydrophobicContact CE1-CD2 4.48Å; F248-Y252 HydrophobicContact CE1-CE2 4.18Å; F248-Y252 HydrophobicContact CG-CD2 4.11Å; F248-Y252 CarbonylContact O-C 3.46Å; F248-Y252 WeakPolarHBondContact O-CA 3.46Å; F248-Y252 WeakPolarHBondContact O-CB 3.36Å; F248-Y252 PolarHBondContact O-N 3.17Å; Y252-I254 PolarHBondContact O-N 3.07Å; Y252-V297 HydrophobicContact CD1-CG1 4.47Å; Y252-V297 HydrophobicContact CD2-CB 4.27Å; Y252-V297 HydrophobicContact CD2-CG1 3.71Å; Y252-V297 HydrophobicContact CE2-CB 3.93Å; Y252-V297 HydrophobicContact CE2-CG1 3.87Å; Y252-V297 HydrophobicContact CG-CG1 4.04Å; Y252-S298 PolarHBondContact OH-N 3.43Å; Y252-S298 PolarHBondContact OH-O 3.35Å; Y252-S298 VanDerWaalsContact OH-O 3.13Å |
| 253 | K | 94.6 | Very high | 94.3 | Very high | 163 Ų | 163 | 63.9 Ų | 63.9 | 71% | 0.709 | 30% | 0.301 | S | S | * | . | trans | 61.6 | 18.6 | -179.4 | -49.8 | -52.6 | -172.9 | -168.2 | 0 | 115.4 | F248 K249 T250 | F248-K253 PolarHBondContact O-N 3.16Å; K249-K253 WeakPolarHBondContact O-CA 3.44Å; T250-K253 WeakPolarHBondContact O-CE 3.46Å; T250-K253 PolarHBondContact O-NZ 3.34Å | ||
| 254 | I | 94 | Very high | 94.1 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | trans | -93.2 | 142.9 | 176.4 | 60.7 | 179.1 | 0 | 0 | 0 | 111.6 | F248 K249 Y252 V256 F291 M292 L295 V297 | F248-I254 HydrophobicContact CB-CD1 4.19Å; F248-I254 HydrophobicContact CB-CG1 3.98Å; K249-I254 VanDerWaalsContact CA-O 3.28Å; K249-I254 WeakPolarHBondContact CA-O 3.5Å; K249-I254 PolarHBondContact N-O 3.16Å; Y252-I254 PolarHBondContact O-N 3.07Å; I254-V256 HydrophobicContact CD1-CG2 4.35Å; I254-V256 HydrophobicContact CG1-CG2 4.37Å; I254-F291 HydrophobicContact CD1-CD1 3.63Å; I254-F291 HydrophobicContact CD1-CE1 3.73Å; I254-M292 HydrophobicContact CB-SD 4.13Å; I254-M292 HydrophobicContact CD1-CB 4.3Å; I254-M292 HydrophobicContact CG2-CG 4.47Å; I254-L295 HydrophobicContact CG2-CD1 4.04Å; I254-V297 HydrophobicContact CD1-CG1 3.91Å | ||
| 255 | N | 93.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | trans | -103.5 | 92.3 | 170.8 | -168.3 | 3.6 | 0 | 0 | 0 | 111 | K257 E258 | N255-K257 PolarHBondContact O-N 3.1Å; N255-K257 PolarHBondContact OD1-N 3.16Å; N255-E258 HydrophobicContact CB-CG 4.36Å; N255-E258 VanDerWaalsContact ND2-CD 3.3Å; N255-E258 PolarHBondContact ND2-OE1 2.91Å; N255-E258 PolarHBondContact O-N 3.11Å | ||
| 256 | V | 92.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -57.8 | -33.7 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | F248 I254 E258 N259 A262 L263 L266 F291 | F248-V256 HydrophobicContact CB-CG2 4.47Å; F248-V256 HydrophobicContact CD2-CG2 4.24Å; I254-V256 HydrophobicContact CD1-CG2 4.35Å; I254-V256 HydrophobicContact CG1-CG2 4.37Å; V256-E258 PolarHBondContact O-N 3.3Å; V256-N259 PolarHBondContact O-N 3.45Å; V256-A262 HydrophobicContact CG1-CB 4.1Å; V256-L263 HydrophobicContact CG1-CB 4.26Å; V256-L263 HydrophobicContact CG1-CD1 4.24Å; V256-L266 HydrophobicContact CG1-CD2 4.04Å; V256-F291 HydrophobicContact CB-CZ 4.49Å; V256-F291 HydrophobicContact CG1-CE1 4.26Å; V256-F291 HydrophobicContact CG1-CZ 3.71Å; V256-F291 HydrophobicContact CG2-CE1 3.66Å; V256-F291 HydrophobicContact CG2-CZ 3.92Å |
| 257 | K | 90.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -69 | -15.6 | -175.5 | -67.2 | 178.3 | 174.9 | 173.6 | 0 | 113.7 | D242 N255 | D242-K257 WeakPolarHBondContact OD1-CE 3.47Å; D242-K257 IonicContact OD1-NZ 2.79Å; D242-K257 PolarHBondContact OD1-NZ 2.73Å; N255-K257 PolarHBondContact O-N 3.1Å; N255-K257 PolarHBondContact OD1-N 3.16Å |
| 258 | E | 90.4 | Very high | 93.7 | Very high | 152 Ų | 152 | 64.5 Ų | 64.5 | 71% | 0.71 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -83.5 | -16.1 | 173.3 | -71.1 | 166.7 | -160.9 | 0 | 0 | 112.9 | N255 V256 | N255-E258 HydrophobicContact CB-CG 4.36Å; N255-E258 VanDerWaalsContact ND2-CD 3.3Å; N255-E258 PolarHBondContact ND2-OE1 2.91Å; N255-E258 PolarHBondContact O-N 3.11Å; V256-E258 PolarHBondContact O-N 3.3Å |
| 259 | N | 91.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | trans | -118.7 | 99.5 | -175.5 | -178.6 | -16.7 | 0 | 0 | 0 | 111.3 | V256 R261 A262 L263 M292 | V256-N259 PolarHBondContact O-N 3.45Å; N259-R261 PolarHBondContact O-N 3.26Å; N259-R261 VanDerWaalsContact O-N 3.09Å; N259-R261 PolarHBondContact OD1-N 3.08Å; N259-R261 VanDerWaalsContact OD1-N 3.08Å; N259-A262 HydrophobicContact CB-CB 4Å; N259-A262 PolarHBondContact O-N 2.84Å; N259-A262 PolarHBondContact OD1-N 2.85Å; N259-L263 PolarHBondContact O-N 2.83Å; N259-M292 HydrophobicContact CB-CE 4.49Å; N259-M292 HydrophobicContact CB-SD 4.18Å | ||
| 260 | S | 90.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.1 | -29.4 | -178.1 | -41.9 | 0 | 0 | 0 | 0 | 114.1 | L264 | S260-L264 WeakPolarHBondContact O-CB 3.25Å; S260-L264 VanDerWaalsContact O-CG 3.31Å; S260-L264 WeakPolarHBondContact O-CG 2.98Å; S260-L264 PolarHBondContact O-N 3.41Å |
| 261 | R | 91.8 | Very high | 93.8 | Very high | 128 Ų | 128 | 58.3 Ų | 58.3 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.2 | -43.6 | 176.5 | -72.6 | -175.1 | 165.4 | 156.5 | -2.7 | 111.9 | V57 T58 V60 N259 L264 R265 | V57-R261 HydrophobicContact CG1-CB 4.06Å; V57-R261 HydrophobicContact CG1-CG 4.16Å; V57-R261 WeakPolarHBondContact O-CD 3.45Å; V57-R261 WeakPolarHBondContact O-CG 3.45Å; V57-R261 PolarHBondContact O-NE 3.35Å; T58-R261 PolarHBondContact O-NH2 2.84Å; V60-R261 HydrophobicContact CB-CG 4.38Å; V60-R261 HydrophobicContact CG1-CG 3.95Å; N259-R261 PolarHBondContact O-N 3.26Å; N259-R261 VanDerWaalsContact O-N 3.09Å; N259-R261 PolarHBondContact OD1-N 3.08Å; N259-R261 VanDerWaalsContact OD1-N 3.08Å; R261-L264 PolarHBondContact O-N 2.84Å; R261-R265 WeakPolarHBondContact O-CG 3.35Å; R261-R265 PolarHBondContact O-N 2.68Å |
| 262 | A | 93.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V256 N259 L264 R265 L266 F291 | V256-A262 HydrophobicContact CG1-CB 4.1Å; N259-A262 HydrophobicContact CB-CB 4Å; N259-A262 PolarHBondContact O-N 2.84Å; N259-A262 PolarHBondContact OD1-N 2.85Å; A262-L264 PolarHBondContact O-N 2.67Å; A262-R265 PolarHBondContact O-N 3.17Å; A262-L266 PolarHBondContact O-N 3.02Å; A262-F291 HydrophobicContact CB-CE2 4.1Å; A262-F291 HydrophobicContact CB-CZ 4.14Å; A262-F291 VanDerWaalsContact O-CE2 3.23Å; A262-F291 WeakPolarHBondContact O-CE2 3.36Å |
| 263 | L | 93.6 | Very high | 94 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.3 | -171.9 | 62.1 | 0 | 0 | 0 | 112.2 | V241 V256 N259 L266 Y267 | V241-L263 HydrophobicContact CG1-CD1 3.64Å; V256-L263 HydrophobicContact CG1-CB 4.26Å; V256-L263 HydrophobicContact CG1-CD1 4.24Å; N259-L263 PolarHBondContact O-N 2.83Å; L263-L266 PolarHBondContact O-N 3.06Å; L263-Y267 HydrophobicContact CD1-CD2 4.3Å; L263-Y267 HydrophobicContact CD1-CE2 4.12Å; L263-Y267 HydrophobicContact CG-CD2 4.11Å; L263-Y267 HydrophobicContact CG-CE2 4.09Å; L263-Y267 WeakPolarHBondContact O-CD2 3.35Å; L263-Y267 PolarHBondContact O-N 3.43Å |
| 264 | L | 92.9 | Very high | 94.2 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.5 | -78.4 | 173.2 | 0 | 0 | 0 | 113 | I56 V57 V60 P88 S260 R261 A262 L266 Y267 Q268 | I56-L264 HydrophobicContact CG1-CD1 4.4Å; V57-L264 HydrophobicContact CG2-CB 4.48Å; V60-L264 HydrophobicContact CB-CD1 4.34Å; V60-L264 HydrophobicContact CG2-CD1 3.56Å; P88-L264 HydrophobicContact CB-CD1 4.34Å; P88-L264 HydrophobicContact CG-CD1 4.25Å; S260-L264 WeakPolarHBondContact O-CB 3.25Å; S260-L264 VanDerWaalsContact O-CG 3.31Å; S260-L264 WeakPolarHBondContact O-CG 2.98Å; S260-L264 PolarHBondContact O-N 3.41Å; R261-L264 PolarHBondContact O-N 2.84Å; A262-L264 PolarHBondContact O-N 2.67Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L264-Y267 PolarHBondContact O-N 2.83Å; L264-Q268 WeakPolarHBondContact O-CG 3.47Å; L264-Q268 PolarHBondContact O-N 2.73Å |
| 265 | R | 94.3 | Very high | 94.3 | Very high | 89 Ų | 89 | 53.5 Ų | 53.5 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -45.1 | 172.1 | -75.4 | 171.9 | 168 | -174.9 | -9.8 | 111.1 | V57 R261 A262 Y267 Q268 E269 C290 F291 | V57-R265 HydrophobicContact CG1-CG 4.21Å; V57-R265 HydrophobicContact CG2-CG 4.33Å; R261-R265 WeakPolarHBondContact O-CG 3.35Å; R261-R265 PolarHBondContact O-N 2.68Å; A262-R265 PolarHBondContact O-N 3.17Å; R265-Y267 PolarHBondContact O-N 3.44Å; R265-Q268 WeakPolarHBondContact O-CB 3.49Å; R265-Q268 PolarHBondContact O-N 2.95Å; R265-Q268 VanDerWaalsContact O-N 3.17Å; R265-E269 PolarHBondContact O-N 3.27Å; R265-E269 VanDerWaalsContact O-N 3.07Å; R265-C290 PolarHBondContact NH1-O 3.44Å; R265-F291 HydrophobicContact CB-CD2 4.47Å; R265-F291 HydrophobicContact CB-CE2 4.28Å |
| 266 | L | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 178 | -173.5 | 57 | 0 | 0 | 0 | 112 | V241 F244 F248 V256 A262 L263 L264 Q268 E269 C270 L286 I288 F291 | V241-L266 HydrophobicContact CG1-CD2 4.18Å; V241-L266 HydrophobicContact CG1-CG 4.47Å; V241-L266 HydrophobicContact CG2-CG 4.3Å; F244-L266 HydrophobicContact CB-CD1 4.01Å; F244-L266 HydrophobicContact CB-CD2 4.11Å; F244-L266 HydrophobicContact CD2-CD1 4.49Å; F248-L266 HydrophobicContact CE2-CD1 4.02Å; V256-L266 HydrophobicContact CG1-CD2 4.04Å; A262-L266 PolarHBondContact O-N 3.02Å; L263-L266 PolarHBondContact O-N 3.06Å; L264-L266 VanDerWaalsContact C-N 3.34Å; L266-Q268 VanDerWaalsContact C-N 3.34Å; L266-Q268 PolarHBondContact O-N 2.86Å; L266-E269 PolarHBondContact O-N 2.94Å; L266-C270 WeakPolarHBondContact O-CB 3.43Å; L266-C270 PolarHBondContact O-N 3.48Å; L266-C270 PolarHBondContact O-SG 3.33Å; L266-L286 HydrophobicContact CD1-CD1 4.36Å; L266-L286 HydrophobicContact CD1-CD2 4.32Å; L266-I288 HydrophobicContact CD1-CD1 3.94Å; L266-F291 HydrophobicContact CB-CE2 4.07Å; L266-F291 HydrophobicContact CB-CZ 4.01Å; L266-F291 HydrophobicContact CD2-CZ 4.39Å |
| 267 | Y | 95.2 | Very high | 94.7 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 24% | 0.235 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 171.9 | -95.6 | -73.5 | 0 | 0 | 0 | 112.6 | D237 E238 V241 L263 L264 R265 C270 E271 | D237-Y267 HydrophobicContact CB-CD1 4.21Å; D237-Y267 HydrophobicContact CB-CE1 4.3Å; E238-Y267 HydrophobicContact CB-CE1 4.47Å; V241-Y267 HydrophobicContact CB-CE1 4.39Å; V241-Y267 HydrophobicContact CB-CE2 4.44Å; V241-Y267 HydrophobicContact CG1-CD2 4.26Å; V241-Y267 HydrophobicContact CG1-CE2 3.91Å; V241-Y267 HydrophobicContact CG2-CD1 3.68Å; V241-Y267 HydrophobicContact CG2-CD2 4.03Å; V241-Y267 HydrophobicContact CG2-CE1 3.82Å; V241-Y267 HydrophobicContact CG2-CE2 4.18Å; V241-Y267 HydrophobicContact CG2-CG 3.77Å; L263-Y267 HydrophobicContact CD1-CD2 4.3Å; L263-Y267 HydrophobicContact CD1-CE2 4.12Å; L263-Y267 HydrophobicContact CG-CD2 4.11Å; L263-Y267 HydrophobicContact CG-CE2 4.09Å; L263-Y267 WeakPolarHBondContact O-CD2 3.35Å; L263-Y267 PolarHBondContact O-N 3.43Å; L264-Y267 PolarHBondContact O-N 2.83Å; R265-Y267 PolarHBondContact O-N 3.44Å; Y267-C270 PolarHBondContact O-N 2.8Å; Y267-E271 WeakPolarHBondContact O-CB 3.34Å; Y267-E271 PolarHBondContact O-N 2.88Å |
| 268 | Q | 94.8 | Very high | 95 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -44 | 178 | -72.2 | 173.6 | -24.1 | 0 | 0 | 112.1 | I56 L264 R265 L266 E271 K272 | I56-Q268 VanDerWaalsContact CG2-NE2 3.32Å; L264-Q268 WeakPolarHBondContact O-CG 3.47Å; L264-Q268 PolarHBondContact O-N 2.73Å; R265-Q268 WeakPolarHBondContact O-CB 3.49Å; R265-Q268 PolarHBondContact O-N 2.95Å; R265-Q268 VanDerWaalsContact O-N 3.17Å; L266-Q268 VanDerWaalsContact C-N 3.34Å; L266-Q268 PolarHBondContact O-N 2.86Å; Q268-E271 PolarHBondContact O-N 2.99Å; Q268-K272 WeakPolarHBondContact O-CG 3.31Å; Q268-K272 PolarHBondContact O-N 3.25Å; Q268-K272 VanDerWaalsContact O-N 3.14Å |
| 269 | E | 96.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.1 | -32.8 | 177.4 | -57.3 | -39.9 | 114.4 | 0 | 0 | 112.7 | R265 L266 K272 L273 L286 I288 | R265-E269 PolarHBondContact O-N 3.27Å; R265-E269 VanDerWaalsContact O-N 3.07Å; L266-E269 PolarHBondContact O-N 2.94Å; E269-K272 PolarHBondContact O-N 3.3Å; E269-K272 IonicContact OE1-NZ 2.69Å; E269-K272 PolarHBondContact OE1-NZ 2.97Å; E269-K272 WeakPolarHBondContact OE2-CD 3.46Å; E269-K272 WeakPolarHBondContact OE2-CE 3.46Å; E269-K272 IonicContact OE2-NZ 3.35Å; E269-K272 PolarHBondContact OE2-NZ 2.89Å; E269-L273 VanDerWaalsContact O-CB 3.25Å; E269-L273 WeakPolarHBondContact O-CB 3.45Å; E269-L273 PolarHBondContact O-N 3.09Å; E269-L286 HydrophobicContact CB-CD1 3.89Å; E269-L286 HydrophobicContact CB-CG 4.3Å; E269-I288 HydrophobicContact CB-CD1 4.06Å; E269-I288 HydrophobicContact CB-CG1 4.45Å; E269-I288 HydrophobicContact CG-CD1 3.78Å; E269-I288 HydrophobicContact CG-CG1 3.94Å |
| 270 | C | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 171.3 | -68.1 | 0 | 0 | 0 | 0 | 112 | L240 V241 L266 Y267 K272 L273 K274 | L240-C270 HydrophobicContact CB-CB 3.92Å; L240-C270 HydrophobicContact CD1-CB 4.39Å; V241-C270 HydrophobicContact CG2-CB 3.91Å; L266-C270 WeakPolarHBondContact O-CB 3.43Å; L266-C270 PolarHBondContact O-N 3.48Å; L266-C270 PolarHBondContact O-SG 3.33Å; Y267-C270 PolarHBondContact O-N 2.8Å; C270-K272 VanDerWaalsContact C-N 3.34Å; C270-K272 PolarHBondContact O-N 2.73Å; C270-L273 PolarHBondContact O-N 3.31Å; C270-K274 WeakPolarHBondContact O-CB 3.45Å; C270-K274 PolarHBondContact O-N 2.94Å |
| 271 | E | 96.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 16% | 0.159 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 176.7 | -157.3 | -145.6 | 175.8 | 0 | 0 | 111.8 | L11 D237 Y267 Q268 K275 | L11-E271 WeakPolarHBondContact CD2-OE1 3.07Å; D237-E271 VanDerWaalsContact OD1-CA 3.31Å; D237-E271 WeakPolarHBondContact OD1-CA 3.42Å; Y267-E271 WeakPolarHBondContact O-CB 3.34Å; Y267-E271 PolarHBondContact O-N 2.88Å; Q268-E271 PolarHBondContact O-N 2.99Å; E271-K275 WeakPolarHBondContact O-CD 3.3Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.45Å; E271-K275 PolarHBondContact O-N 2.94Å; E271-K275 WeakPolarHBondContact OE1-CE 3.49Å; E271-K275 IonicContact OE1-NZ 2.95Å; E271-K275 PolarHBondContact OE1-NZ 2.79Å; E271-K275 IonicContact OE2-NZ 3.93Å; E271-K275 PolarHBondContact OE2-NZ 3.35Å |
| 272 | K | 96.6 | Very high | 95.8 | Very high | 107 Ų | 107 | 47 Ų | 47 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -50.4 | 171.5 | -73.6 | 160.4 | 165.1 | 177.1 | 0 | 111.4 | Q268 E269 C270 K274 K275 L276 | Q268-K272 WeakPolarHBondContact O-CG 3.31Å; Q268-K272 PolarHBondContact O-N 3.25Å; Q268-K272 VanDerWaalsContact O-N 3.14Å; E269-K272 PolarHBondContact O-N 3.3Å; E269-K272 IonicContact OE1-NZ 2.69Å; E269-K272 PolarHBondContact OE1-NZ 2.97Å; E269-K272 WeakPolarHBondContact OE2-CD 3.46Å; E269-K272 WeakPolarHBondContact OE2-CE 3.46Å; E269-K272 IonicContact OE2-NZ 3.35Å; E269-K272 PolarHBondContact OE2-NZ 2.89Å; C270-K272 VanDerWaalsContact C-N 3.34Å; C270-K272 PolarHBondContact O-N 2.73Å; K272-K274 VanDerWaalsContact C-N 3.35Å; K272-K274 PolarHBondContact O-N 3.14Å; K272-K275 WeakPolarHBondContact O-CB 3.28Å; K272-K275 PolarHBondContact O-N 3.32Å; K272-K275 VanDerWaalsContact O-N 3.1Å; K272-L276 WeakPolarHBondContact O-CG 3.4Å; K272-L276 PolarHBondContact O-N 2.93Å |
| 273 | L | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | -178 | -171.5 | 65.7 | 0 | 0 | 0 | 111.6 | F244 E269 C270 K275 L276 M277 L284 L286 M301 | F244-L273 HydrophobicContact CE2-CD2 3.73Å; F244-L273 HydrophobicContact CZ-CD2 3.84Å; E269-L273 VanDerWaalsContact O-CB 3.25Å; E269-L273 WeakPolarHBondContact O-CB 3.45Å; E269-L273 PolarHBondContact O-N 3.09Å; C270-L273 PolarHBondContact O-N 3.31Å; L273-K275 PolarHBondContact O-N 3.43Å; L273-L276 PolarHBondContact O-N 3.24Å; L273-M277 HydrophobicContact CG-CE 4.16Å; L273-M277 WeakPolarHBondContact O-CB 3.33Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 2.9Å; L273-L284 HydrophobicContact CD1-CB 3.68Å; L273-L286 HydrophobicContact CD2-CB 4.21Å; L273-L286 HydrophobicContact CD2-CD1 3.99Å; L273-M301 HydrophobicContact CD2-CB 3.76Å; L273-M301 HydrophobicContact CG-CB 4.4Å |
| 274 | K | 97.5 | Very high | 96.1 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 173.2 | -174.7 | -173.3 | 74.6 | -158.2 | 0 | 112.8 | G233 F236 D237 L240 C270 K272 S278 F306 I347 | G233-K274 PolarHBondContact O-NZ 3.31Å; F236-K274 HydrophobicContact CB-CD 3.7Å; D237-K274 WeakPolarHBondContact OD1-CD 3.44Å; D237-K274 VanDerWaalsContact OD1-CE 3.31Å; D237-K274 WeakPolarHBondContact OD1-CE 3.35Å; D237-K274 IonicContact OD1-NZ 2.92Å; D237-K274 PolarHBondContact OD1-NZ 3.48Å; D237-K274 IonicContact OD2-NZ 3.26Å; D237-K274 PolarHBondContact OD2-NZ 3.31Å; L240-K274 HydrophobicContact CD1-CB 4.07Å; C270-K274 WeakPolarHBondContact O-CB 3.45Å; C270-K274 PolarHBondContact O-N 2.94Å; K272-K274 VanDerWaalsContact C-N 3.35Å; K272-K274 PolarHBondContact O-N 3.14Å; K274-S278 PolarHBondContact O-N 3.36Å; K274-S278 VanDerWaalsContact O-N 3.11Å; K274-S278 PolarHBondContact O-OG 2.95Å; K274-F306 HydrophobicContact CD-CZ 4.31Å; K274-F306 HydrophobicContact CG-CE1 4.45Å; K274-F306 HydrophobicContact CG-CE2 4.32Å; K274-F306 HydrophobicContact CG-CZ 3.81Å; K274-I347 HydrophobicContact CD-CD1 4.34Å |
| 275 | K | 97 | Very high | 96.3 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 176.1 | -70.2 | 164.5 | -173.7 | 169.6 | 0 | 111.2 | E271 K272 L273 S278 | E271-K275 WeakPolarHBondContact O-CD 3.3Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.45Å; E271-K275 PolarHBondContact O-N 2.94Å; E271-K275 WeakPolarHBondContact OE1-CE 3.49Å; E271-K275 IonicContact OE1-NZ 2.95Å; E271-K275 PolarHBondContact OE1-NZ 2.79Å; E271-K275 IonicContact OE2-NZ 3.93Å; E271-K275 PolarHBondContact OE2-NZ 3.35Å; K272-K275 WeakPolarHBondContact O-CB 3.28Å; K272-K275 PolarHBondContact O-N 3.32Å; K272-K275 VanDerWaalsContact O-N 3.1Å; L273-K275 PolarHBondContact O-N 3.43Å; K275-S278 WeakPolarHBondContact O-CB 3.3Å; K275-S278 PolarHBondContact O-N 2.95Å; K275-S278 VanDerWaalsContact O-N 3.16Å |
| 276 | L | 97.3 | Very high | 96.4 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 45% | 0.45 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.5 | -67.5 | 171.5 | 0 | 0 | 0 | 111.9 | K272 L273 S278 A279 N280 L284 | K272-L276 WeakPolarHBondContact O-CG 3.4Å; K272-L276 PolarHBondContact O-N 2.93Å; L273-L276 PolarHBondContact O-N 3.24Å; L276-S278 PolarHBondContact O-N 3.25Å; L276-A279 PolarHBondContact O-N 3.48Å; L276-A279 VanDerWaalsContact O-N 3.1Å; L276-N280 PolarHBondContact O-N 3.38Å; L276-L284 HydrophobicContact CB-CD1 3.68Å |
| 277 | M | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -23.6 | 174.2 | -75 | -173.1 | -60.5 | 0 | 0 | 113.4 | L240 L273 A279 N280 L284 M301 R303 F306 | L240-M277 HydrophobicContact CD1-CE 3.84Å; L240-M277 HydrophobicContact CD2-CE 4.17Å; L273-M277 HydrophobicContact CG-CE 4.16Å; L273-M277 WeakPolarHBondContact O-CB 3.33Å; L273-M277 WeakPolarHBondContact O-CG 3.4Å; L273-M277 PolarHBondContact O-N 2.9Å; M277-A279 VanDerWaalsContact C-N 3.26Å; M277-A279 PolarHBondContact O-N 2.94Å; M277-N280 CarbonylContact C-O 3.58Å; M277-N280 WeakPolarHBondContact CA-O 3.4Å; M277-L284 HydrophobicContact CB-CD1 4.37Å; M277-L284 HydrophobicContact CG-CD1 3.65Å; M277-M301 HydrophobicContact CE-CG 4.07Å; M277-M301 HydrophobicContact SD-CB 4.03Å; M277-M301 HydrophobicContact SD-CG 3.47Å; M277-M301 WeakPolarHBondContact SD-CG 3.44Å; M277-R303 VanDerWaalsContact O-CZ 3.27Å; M277-R303 PolarHBondContact O-NE 2.82Å; M277-R303 PolarHBondContact O-NH2 3.32Å; M277-F306 HydrophobicContact CE-CB 3.61Å; M277-F306 HydrophobicContact CE-CD1 3.81Å; M277-F306 HydrophobicContact CE-CD2 3.75Å; M277-F306 HydrophobicContact CE-CE1 4.43Å; M277-F306 HydrophobicContact CE-CE2 4.36Å; M277-F306 HydrophobicContact CE-CG 3.42Å; M277-F306 VanDerWaalsContact CE-CG 3.42Å; M277-F306 HydrophobicContact SD-CB 3.58Å; M277-F306 VanDerWaalsContact SD-CB 3.58Å; M277-F306 HydrophobicContact SD-CD1 4.3Å; M277-F306 HydrophobicContact SD-CG 4Å |
| 278 | S | 96.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 51 Ų | 51 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.5 | -23.9 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | K274 K275 L276 | K274-S278 PolarHBondContact O-N 3.36Å; K274-S278 VanDerWaalsContact O-N 3.11Å; K274-S278 PolarHBondContact O-OG 2.95Å; K275-S278 WeakPolarHBondContact O-CB 3.3Å; K275-S278 PolarHBondContact O-N 2.95Å; K275-S278 VanDerWaalsContact O-N 3.16Å; L276-S278 PolarHBondContact O-N 3.25Å |
| 279 | A | 96 | Very high | 96.2 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -94.6 | -56 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | L276 M277 R303 | L276-A279 PolarHBondContact O-N 3.48Å; L276-A279 VanDerWaalsContact O-N 3.1Å; M277-A279 VanDerWaalsContact C-N 3.26Å; M277-A279 PolarHBondContact O-N 2.94Å; A279-R303 PolarHBondContact O-NH2 3.25Å |
| 280 | N | 95.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 57 Ų | 57 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | -97.1 | 141.2 | -172.9 | -58 | -44.4 | 0 | 0 | 0 | 111.8 | L276 M277 L284 R303 | L276-N280 PolarHBondContact O-N 3.38Å; M277-N280 CarbonylContact C-O 3.58Å; M277-N280 WeakPolarHBondContact CA-O 3.4Å; N280-L284 HydrophobicContact CB-CD1 4.29Å; N280-L284 HydrophobicContact CB-CD2 4.33Å; N280-R303 PolarHBondContact O-NH2 2.98Å; N280-R303 VanDerWaalsContact O-NH2 3.08Å | ||
| 281 | A | 94.7 | Very high | 95.5 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | trans | -97.3 | -19 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 282 | S | 95.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 51% | 0.51 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -68.6 | 173.9 | -177.5 | 59.4 | 0 | 0 | 0 | 0 | 113 | L284 N302 | S282-L284 PolarHBondContact O-N 2.94Å; S282-N302 WeakPolarHBondContact O-CB 3.39Å |
| 283 | D | 95.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | trans | -53.7 | 133 | 161.2 | -74.1 | -22 | 0 | 0 | 0 | 110.3 | K300 N302 | D283-K300 HydrophobicContact CB-CD 4.09Å; D283-K300 WeakPolarHBondContact OD2-CE 3.29Å; D283-K300 IonicContact OD2-NZ 2.62Å; D283-K300 PolarHBondContact OD2-NZ 3.08Å; D283-N302 WeakPolarHBondContact OD1-CB 3.47Å; D283-N302 PolarHBondContact OD1-ND2 3.41Å | ||
| 284 | L | 97.2 | Very high | 94.3 | Very high | 20 Ų | 20 | 64 Ų | 64 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.9 | 173.7 | -71.1 | 164.6 | 0 | 0 | 0 | 108.7 | L273 L276 M277 N280 S282 K300 M301 | L273-L284 HydrophobicContact CD1-CB 3.68Å; L276-L284 HydrophobicContact CB-CD1 3.68Å; M277-L284 HydrophobicContact CB-CD1 4.37Å; M277-L284 HydrophobicContact CG-CD1 3.65Å; N280-L284 HydrophobicContact CB-CD1 4.29Å; N280-L284 HydrophobicContact CB-CD2 4.33Å; S282-L284 PolarHBondContact O-N 2.94Å; L284-K300 CarbonylContact O-C 3.51Å; L284-K300 WeakPolarHBondContact O-CA 3.35Å; L284-K300 WeakPolarHBondContact O-CB 3.25Å; L284-M301 PolarHBondContact N-O 3.34Å; L284-M301 PolarHBondContact O-N 2.91Å |
| 285 | P | 96.5 | Very high | 94 | Very high | 86 Ų | 86 | 67 Ų | 67 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 148.6 | -179.6 | 31.4 | -35 | 0 | 0 | 0 | 111.8 | S299 | P285-S299 WeakPolarHBondContact CA-O 3.44Å |
| 286 | L | 96.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 111.2 | 160.4 | 178 | 141.3 | 0 | 0 | 0 | 107 | F244 F248 L266 E269 L273 I288 S298 S299 | F244-L286 HydrophobicContact CD2-CD1 4.1Å; F244-L286 HydrophobicContact CE2-CD1 3.83Å; F244-L286 HydrophobicContact CZ-CB 4.38Å; F244-L286 HydrophobicContact CZ-CD1 4.25Å; F248-L286 HydrophobicContact CE2-CD2 4.4Å; F248-L286 HydrophobicContact CZ-CD2 3.75Å; L266-L286 HydrophobicContact CD1-CD1 4.36Å; L266-L286 HydrophobicContact CD1-CD2 4.32Å; E269-L286 HydrophobicContact CB-CD1 3.89Å; E269-L286 HydrophobicContact CB-CG 4.3Å; L273-L286 HydrophobicContact CD2-CB 4.21Å; L273-L286 HydrophobicContact CD2-CD1 3.99Å; L286-I288 HydrophobicContact CD2-CD1 4.09Å; L286-I288 HydrophobicContact CD2-CG1 4.05Å; L286-S298 CarbonylContact O-C 3.5Å; L286-S298 WeakPolarHBondContact O-CA 3.5Å; L286-S299 PolarHBondContact N-O 3.48Å; L286-S299 PolarHBondContact O-N 2.85Å |
| 287 | N | 95.3 | Very high | 93.7 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 51% | 0.508 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131 | 179.2 | -63.7 | -24.7 | 0 | 0 | 0 | 108 | V297 S298 | N287-V297 CarbonylContact C-O 3.6Å; N287-V297 WeakPolarHBondContact CA-O 3.48Å; N287-S298 WeakPolarHBondContact OD1-CB 3.46Å; N287-S298 PolarHBondContact OD1-OG 2.89Å |
| 288 | I | 94.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 115.4 | 176.3 | -35 | -175.7 | 0 | 0 | 0 | 109.2 | L266 E269 L286 F291 D296 V297 | L266-I288 HydrophobicContact CD1-CD1 3.94Å; E269-I288 HydrophobicContact CB-CD1 4.06Å; E269-I288 HydrophobicContact CB-CG1 4.45Å; E269-I288 HydrophobicContact CG-CD1 3.78Å; E269-I288 HydrophobicContact CG-CG1 3.94Å; L286-I288 HydrophobicContact CD2-CD1 4.09Å; L286-I288 HydrophobicContact CD2-CG1 4.05Å; I288-F291 HydrophobicContact CB-CB 4.23Å; I288-F291 HydrophobicContact CB-CD2 3.97Å; I288-F291 HydrophobicContact CB-CG 4.3Å; I288-F291 HydrophobicContact CD1-CD2 3.95Å; I288-F291 HydrophobicContact CD1-CE2 3.81Å; I288-F291 HydrophobicContact CG2-CB 4.3Å; I288-F291 HydrophobicContact CG2-CD2 3.73Å; I288-F291 HydrophobicContact CG2-CG 4.39Å; I288-D296 WeakPolarHBondContact O-CA 3.49Å; I288-V297 HydrophobicContact CB-CG2 3.76Å; I288-V297 HydrophobicContact CD1-CG2 4.3Å; I288-V297 HydrophobicContact CG1-CG2 3.94Å; I288-V297 PolarHBondContact N-O 3.4Å; I288-V297 PolarHBondContact O-N 3.02Å |
| 289 | E | 92.9 | Very high | 93.6 | Very high | 160 Ų | 160 | 64.5 Ų | 64.5 | 75% | 0.748 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 146.6 | -179.9 | -66.3 | 168.5 | -169.8 | 0 | 0 | 111.6 | F291 D296 | E289-F291 PolarHBondContact O-N 3.22Å; E289-F291 VanDerWaalsContact O-N 3.11Å; E289-D296 VanDerWaalsContact CA-OD1 3.24Å; E289-D296 WeakPolarHBondContact CA-OD1 3.48Å |
| 290 | C | 88.3 | Confident | 93.7 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 41.8 | 48.3 | -178.8 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | R265 D296 | R265-C290 PolarHBondContact NH1-O 3.44Å; C290-D296 PolarHBondContact N-OD1 3.02Å |
| 291 | F | 90.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -47.8 | -164.7 | 176.1 | -118.8 | 0 | 0 | 0 | 112.2 | F248 I254 V256 A262 R265 L266 I288 E289 L295 V297 | F248-F291 AromaticContact CD2-CE1 3.8Å; F248-F291 HydrophobicContact CD2-CE1 3.8Å; F248-F291 HydrophobicContact CD2-CZ 4.37Å; F248-F291 HydrophobicContact CE2-CE1 4.08Å; F248-F291 HydrophobicContact CE2-CZ 4.37Å; I254-F291 HydrophobicContact CD1-CD1 3.63Å; I254-F291 HydrophobicContact CD1-CE1 3.73Å; V256-F291 HydrophobicContact CB-CZ 4.49Å; V256-F291 HydrophobicContact CG1-CE1 4.26Å; V256-F291 HydrophobicContact CG1-CZ 3.71Å; V256-F291 HydrophobicContact CG2-CE1 3.66Å; V256-F291 HydrophobicContact CG2-CZ 3.92Å; A262-F291 HydrophobicContact CB-CE2 4.1Å; A262-F291 HydrophobicContact CB-CZ 4.14Å; A262-F291 VanDerWaalsContact O-CE2 3.23Å; A262-F291 WeakPolarHBondContact O-CE2 3.36Å; R265-F291 HydrophobicContact CB-CD2 4.47Å; R265-F291 HydrophobicContact CB-CE2 4.28Å; L266-F291 HydrophobicContact CB-CE2 4.07Å; L266-F291 HydrophobicContact CB-CZ 4.01Å; L266-F291 HydrophobicContact CD2-CZ 4.39Å; I288-F291 HydrophobicContact CB-CB 4.23Å; I288-F291 HydrophobicContact CB-CD2 3.97Å; I288-F291 HydrophobicContact CB-CG 4.3Å; I288-F291 HydrophobicContact CD1-CD2 3.95Å; I288-F291 HydrophobicContact CD1-CE2 3.81Å; I288-F291 HydrophobicContact CG2-CB 4.3Å; I288-F291 HydrophobicContact CG2-CD2 3.73Å; I288-F291 HydrophobicContact CG2-CG 4.39Å; E289-F291 PolarHBondContact O-N 3.22Å; E289-F291 VanDerWaalsContact O-N 3.11Å; F291-L295 PolarHBondContact N-O 2.91Å; F291-V297 HydrophobicContact CB-CG1 4.42Å; F291-V297 HydrophobicContact CB-CG2 3.91Å; F291-V297 HydrophobicContact CD1-CB 4.28Å; F291-V297 HydrophobicContact CD1-CG1 3.65Å; F291-V297 HydrophobicContact CD1-CG2 3.58Å; F291-V297 HydrophobicContact CD2-CG2 4.35Å; F291-V297 HydrophobicContact CE1-CG1 4.32Å; F291-V297 HydrophobicContact CE1-CG2 4.12Å; F291-V297 HydrophobicContact CG-CG1 4.37Å; F291-V297 HydrophobicContact CG-CG2 3.7Å |
| 292 | M | 88.6 | Confident | 93.9 | Very high | 28 Ų | 28 | 61 Ų | 61 | 14% | 0.138 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 137.2 | 174.9 | -179.2 | 165.4 | 172.4 | 0 | 0 | 109.5 | I254 N259 D294 L295 | I254-M292 HydrophobicContact CB-SD 4.13Å; I254-M292 HydrophobicContact CD1-CB 4.3Å; I254-M292 HydrophobicContact CG2-CG 4.47Å; N259-M292 HydrophobicContact CB-CE 4.49Å; N259-M292 HydrophobicContact CB-SD 4.18Å; M292-D294 PolarHBondContact O-N 2.84Å; M292-L295 WeakPolarHBondContact O-CB 3.47Å; M292-L295 PolarHBondContact O-N 2.89Å |
| 293 | N | 88.3 | Confident | 94 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38.1 | -179.2 | -52.8 | -6.8 | 0 | 0 | 0 | 113.3 | L295 | N293-L295 PolarHBondContact O-N 2.72Å; N293-L295 VanDerWaalsContact O-N 3.07Å |
| 294 | D | 88.6 | Confident | 94.1 | Very high | 143 Ų | 143 | 59.5 Ų | 59.5 | 77% | 0.765 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 21.4 | -176.6 | -48.6 | -39.9 | 0 | 0 | 0 | 114.8 | M292 | M292-D294 PolarHBondContact O-N 2.84Š|
| 295 | L | 90.5 | Very high | 94.1 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.7 | 170.9 | -59.7 | 176.1 | 0 | 0 | 0 | 111.1 | I254 F291 M292 N293 | I254-L295 HydrophobicContact CG2-CD1 4.04Å; F291-L295 PolarHBondContact N-O 2.91Å; M292-L295 WeakPolarHBondContact O-CB 3.47Å; M292-L295 PolarHBondContact O-N 2.89Å; N293-L295 PolarHBondContact O-N 2.72Å; N293-L295 VanDerWaalsContact O-N 3.07Å |
| 296 | D | 93.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 141.4 | 165.7 | -55.2 | -34.7 | 0 | 0 | 0 | 110.2 | I288 E289 C290 | I288-D296 WeakPolarHBondContact O-CA 3.49Å; E289-D296 VanDerWaalsContact CA-OD1 3.24Å; E289-D296 WeakPolarHBondContact CA-OD1 3.48Å; C290-D296 PolarHBondContact N-OD1 3.02Å |
| 297 | V | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.5 | 173.9 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | F248 Y252 I254 N287 I288 F291 | F248-V297 HydrophobicContact CD1-CB 4.5Å; F248-V297 HydrophobicContact CD2-CB 4.3Å; F248-V297 HydrophobicContact CD2-CG1 4.17Å; F248-V297 HydrophobicContact CD2-CG2 4.28Å; F248-V297 HydrophobicContact CE1-CB 4.15Å; F248-V297 HydrophobicContact CE2-CB 3.92Å; F248-V297 HydrophobicContact CE2-CG1 4.29Å; F248-V297 HydrophobicContact CE2-CG2 3.61Å; F248-V297 HydrophobicContact CG-CG1 4.32Å; F248-V297 HydrophobicContact CZ-CB 3.84Å; F248-V297 HydrophobicContact CZ-CG2 3.8Å; Y252-V297 HydrophobicContact CD1-CG1 4.47Å; Y252-V297 HydrophobicContact CD2-CB 4.27Å; Y252-V297 HydrophobicContact CD2-CG1 3.71Å; Y252-V297 HydrophobicContact CE2-CB 3.93Å; Y252-V297 HydrophobicContact CE2-CG1 3.87Å; Y252-V297 HydrophobicContact CG-CG1 4.04Å; I254-V297 HydrophobicContact CD1-CG1 3.91Å; N287-V297 CarbonylContact C-O 3.6Å; N287-V297 WeakPolarHBondContact CA-O 3.48Å; I288-V297 HydrophobicContact CB-CG2 3.76Å; I288-V297 HydrophobicContact CD1-CG2 4.3Å; I288-V297 HydrophobicContact CG1-CG2 3.94Å; I288-V297 PolarHBondContact N-O 3.4Å; I288-V297 PolarHBondContact O-N 3.02Å; F291-V297 HydrophobicContact CB-CG1 4.42Å; F291-V297 HydrophobicContact CB-CG2 3.91Å; F291-V297 HydrophobicContact CD1-CB 4.28Å; F291-V297 HydrophobicContact CD1-CG1 3.65Å; F291-V297 HydrophobicContact CD1-CG2 3.58Å; F291-V297 HydrophobicContact CD2-CG2 4.35Å; F291-V297 HydrophobicContact CE1-CG1 4.32Å; F291-V297 HydrophobicContact CE1-CG2 4.12Å; F291-V297 HydrophobicContact CG-CG1 4.37Å; F291-V297 HydrophobicContact CG-CG2 3.7Å |
| 298 | S | 95.6 | Very high | 94.3 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.9 | 178 | -180 | 0 | 0 | 0 | 0 | 110.2 | K251 Y252 L286 N287 | K251-S298 PolarHBondContact NZ-O 2.97Å; Y252-S298 PolarHBondContact OH-N 3.43Å; Y252-S298 PolarHBondContact OH-O 3.35Å; Y252-S298 VanDerWaalsContact OH-O 3.13Å; L286-S298 CarbonylContact O-C 3.5Å; L286-S298 WeakPolarHBondContact O-CA 3.5Å; N287-S298 WeakPolarHBondContact OD1-CB 3.46Å; N287-S298 PolarHBondContact OD1-OG 2.89Å |
| 299 | S | 96.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | -171.1 | 174.7 | -165.3 | 0 | 0 | 0 | 0 | 110.4 | E247 P285 L286 | E247-S299 VanDerWaalsContact CD-OG 3.25Å; E247-S299 PolarHBondContact OE1-OG 3.3Å; E247-S299 VanDerWaalsContact OE2-CB 3.23Å; E247-S299 WeakPolarHBondContact OE2-CB 3.29Å; E247-S299 PolarHBondContact OE2-OG 2.95Å; P285-S299 WeakPolarHBondContact CA-O 3.44Å; L286-S299 PolarHBondContact N-O 3.48Å; L286-S299 PolarHBondContact O-N 2.85Å |
| 300 | K | 96.7 | Very high | 94.7 | Very high | 109 Ų | 109 | 58 Ų | 58 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158 | 177.7 | 64 | 178.4 | -170.9 | 166.7 | 0 | 111.7 | D283 L284 | D283-K300 HydrophobicContact CB-CD 4.09Å; D283-K300 WeakPolarHBondContact OD2-CE 3.29Å; D283-K300 IonicContact OD2-NZ 2.62Å; D283-K300 PolarHBondContact OD2-NZ 3.08Å; L284-K300 CarbonylContact O-C 3.51Å; L284-K300 WeakPolarHBondContact O-CA 3.35Å; L284-K300 WeakPolarHBondContact O-CB 3.25Å |
| 301 | M | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.6 | 171.4 | -171.1 | 62.9 | 61.7 | 0 | 0 | 109.2 | L240 Y243 F244 L273 M277 L284 Q305 F306 L309 | L240-M301 HydrophobicContact CD2-CE 3.94Å; L240-M301 HydrophobicContact CD2-CG 4.04Å; L240-M301 HydrophobicContact CD2-SD 4.42Å; Y243-M301 HydrophobicContact CD1-CE 3.45Å; Y243-M301 VanDerWaalsContact CD1-CE 3.45Å; Y243-M301 HydrophobicContact CE1-CE 3.41Å; Y243-M301 VanDerWaalsContact CE1-CE 3.41Å; Y243-M301 HydrophobicContact CG-CE 4.09Å; F244-M301 HydrophobicContact CE1-CE 4.41Å; F244-M301 HydrophobicContact CE2-CE 4.32Å; F244-M301 HydrophobicContact CZ-CB 4.23Å; F244-M301 HydrophobicContact CZ-CE 3.88Å; L273-M301 HydrophobicContact CD2-CB 3.76Å; L273-M301 HydrophobicContact CG-CB 4.4Å; M277-M301 HydrophobicContact CE-CG 4.07Å; M277-M301 HydrophobicContact SD-CB 4.03Å; M277-M301 HydrophobicContact SD-CG 3.47Å; M277-M301 WeakPolarHBondContact SD-CG 3.44Å; L284-M301 PolarHBondContact N-O 3.34Å; L284-M301 PolarHBondContact O-N 2.91Å; M301-Q305 HydrophobicContact SD-CB 3.53Å; M301-Q305 VanDerWaalsContact SD-CB 3.53Å; M301-F306 HydrophobicContact CG-CB 4.08Å; M301-F306 HydrophobicContact SD-CB 4.38Å; M301-L309 HydrophobicContact CE-CD1 3.85Å; M301-L309 HydrophobicContact SD-CD1 4.16Å |
| 302 | N | 97.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 61 Ų | 61 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | trans | -117.3 | 164.7 | 165.6 | 58.6 | 63.8 | 0 | 0 | 0 | 111.1 | S282 D283 A304 Q305 F306 | S282-N302 WeakPolarHBondContact O-CB 3.39Å; D283-N302 WeakPolarHBondContact OD1-CB 3.47Å; D283-N302 PolarHBondContact OD1-ND2 3.41Å; N302-A304 VanDerWaalsContact C-N 3.31Å; N302-A304 PolarHBondContact O-N 3.38Å; N302-A304 PolarHBondContact OD1-N 2.83Å; N302-Q305 PolarHBondContact ND2-OE1 2.89Å; N302-Q305 PolarHBondContact O-N 3.31Å; N302-Q305 WeakPolarHBondContact OD1-CG 3.31Å; N302-Q305 PolarHBondContact OD1-N 3.37Å; N302-Q305 VanDerWaalsContact OD1-N 3.07Å; N302-F306 PolarHBondContact O-N 2.65Å; N302-F306 VanDerWaalsContact O-N 3.08Å | ||
| 303 | R | 97.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 18% | 0.181 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | -175.5 | -179.2 | -176.7 | -59.9 | 162.5 | 1.9 | 112.6 | M277 A279 N280 Q305 F306 E307 | M277-R303 VanDerWaalsContact O-CZ 3.27Å; M277-R303 PolarHBondContact O-NE 2.82Å; M277-R303 PolarHBondContact O-NH2 3.32Å; A279-R303 PolarHBondContact O-NH2 3.25Å; N280-R303 PolarHBondContact O-NH2 2.98Å; N280-R303 VanDerWaalsContact O-NH2 3.08Å; R303-Q305 PolarHBondContact O-N 3.42Å; R303-F306 PolarHBondContact O-N 2.82Å; R303-E307 VanDerWaalsContact CG-CD 3.43Å; R303-E307 HydrophobicContact CG-CG 4.17Å; R303-E307 WeakPolarHBondContact CG-OE1 3.29Å; R303-E307 WeakPolarHBondContact CG-OE2 3.22Å; R303-E307 WeakPolarHBondContact O-CB 3.42Å; R303-E307 WeakPolarHBondContact O-CG 3.35Å; R303-E307 PolarHBondContact O-N 3.49Å |
| 304 | A | 97.5 | Very high | 96.4 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N302 Q308 | N302-A304 VanDerWaalsContact C-N 3.31Å; N302-A304 PolarHBondContact O-N 3.38Å; N302-A304 PolarHBondContact OD1-N 2.83Å; A304-Q308 WeakPolarHBondContact O-CB 3.49Å; A304-Q308 PolarHBondContact O-N 2.8Å |
| 305 | Q | 97.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 173.6 | -72.9 | 171.4 | -21.2 | 0 | 0 | 111.8 | M301 N302 R303 Q308 L309 | M301-Q305 HydrophobicContact SD-CB 3.53Å; M301-Q305 VanDerWaalsContact SD-CB 3.53Å; N302-Q305 PolarHBondContact ND2-OE1 2.89Å; N302-Q305 PolarHBondContact O-N 3.31Å; N302-Q305 WeakPolarHBondContact OD1-CG 3.31Å; N302-Q305 PolarHBondContact OD1-N 3.37Å; N302-Q305 VanDerWaalsContact OD1-N 3.07Å; R303-Q305 PolarHBondContact O-N 3.42Å; Q305-Q308 PolarHBondContact O-N 3.15Å; Q305-L309 WeakPolarHBondContact O-CG 2.8Å; Q305-L309 PolarHBondContact O-N 3.07Å |
| 306 | F | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.5 | 163.5 | -110.9 | 0 | 0 | 0 | 112.9 | F236 L240 K274 M277 M301 N302 R303 Q308 L309 C310 I347 | F236-F306 HydrophobicContact CB-CE2 3.99Å; F236-F306 HydrophobicContact CB-CZ 3.91Å; F236-F306 HydrophobicContact CD1-CE2 4.32Å; F236-F306 AromaticContact CD1-CZ 3.88Å; F236-F306 HydrophobicContact CD1-CZ 3.88Å; F236-F306 HydrophobicContact CG-CZ 4.28Å; L240-F306 HydrophobicContact CD1-CD2 3.91Å; L240-F306 HydrophobicContact CD1-CE2 3.93Å; L240-F306 HydrophobicContact CD2-CD2 3.76Å; L240-F306 HydrophobicContact CG-CD2 3.8Å; L240-F306 HydrophobicContact CG-CE2 4.07Å; K274-F306 HydrophobicContact CD-CZ 4.31Å; K274-F306 HydrophobicContact CG-CE1 4.45Å; K274-F306 HydrophobicContact CG-CE2 4.32Å; K274-F306 HydrophobicContact CG-CZ 3.81Å; M277-F306 HydrophobicContact CE-CB 3.61Å; M277-F306 HydrophobicContact CE-CD1 3.81Å; M277-F306 HydrophobicContact CE-CD2 3.75Å; M277-F306 HydrophobicContact CE-CE1 4.43Å; M277-F306 HydrophobicContact CE-CE2 4.36Å; M277-F306 HydrophobicContact CE-CG 3.42Å; M277-F306 VanDerWaalsContact CE-CG 3.42Å; M277-F306 HydrophobicContact SD-CB 3.58Å; M277-F306 VanDerWaalsContact SD-CB 3.58Å; M277-F306 HydrophobicContact SD-CD1 4.3Å; M277-F306 HydrophobicContact SD-CG 4Å; M301-F306 HydrophobicContact CG-CB 4.08Å; M301-F306 HydrophobicContact SD-CB 4.38Å; N302-F306 PolarHBondContact O-N 2.65Å; N302-F306 VanDerWaalsContact O-N 3.08Å; R303-F306 PolarHBondContact O-N 2.82Å; F306-Q308 VanDerWaalsContact C-N 3.34Å; F306-L309 PolarHBondContact O-N 3.41Å; F306-C310 WeakPolarHBondContact CE2-SG 3.35Å; F306-C310 WeakPolarHBondContact O-CB 3.46Å; F306-C310 PolarHBondContact O-N 2.69Å; F306-C310 PolarHBondContact O-SG 2.69Å; F306-I347 HydrophobicContact CE1-CG2 4.2Å; F306-I347 HydrophobicContact CZ-CD1 4.43Å |
| 307 | E | 97.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 21% | 0.21 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68 | -34.3 | 177.2 | -72.2 | 171.4 | 164.1 | 0 | 0 | 111.5 | R303 C310 A311 L314 A349 | R303-E307 VanDerWaalsContact CG-CD 3.43Å; R303-E307 HydrophobicContact CG-CG 4.17Å; R303-E307 WeakPolarHBondContact CG-OE1 3.29Å; R303-E307 WeakPolarHBondContact CG-OE2 3.22Å; R303-E307 WeakPolarHBondContact O-CB 3.42Å; R303-E307 WeakPolarHBondContact O-CG 3.35Å; R303-E307 PolarHBondContact O-N 3.49Å; E307-C310 CarbonylContact O-C 3.59Å; E307-C310 PolarHBondContact O-N 2.88Å; E307-A311 PolarHBondContact O-N 3.35Å; E307-A311 VanDerWaalsContact O-N 3.14Å; E307-L314 HydrophobicContact CB-CD1 4.39Å; E307-A349 HydrophobicContact CG-CB 3.86Å; E307-A349 WeakPolarHBondContact OE1-CB 3.43Å; E307-A349 PolarHBondContact OE1-N 3.31Å |
| 308 | Q | 97.5 | Very high | 97.5 | Very high | 158 Ų | 158 | 50.3 Ų | 50.3 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.5 | -45.9 | 170.8 | -174.7 | 179.6 | 2.8 | 0 | 0 | 112.3 | A304 Q305 F306 C310 A311 | A304-Q308 WeakPolarHBondContact O-CB 3.49Å; A304-Q308 PolarHBondContact O-N 2.8Å; Q305-Q308 PolarHBondContact O-N 3.15Å; F306-Q308 VanDerWaalsContact C-N 3.34Å; Q308-C310 PolarHBondContact O-N 3.21Å; Q308-A311 WeakPolarHBondContact O-CB 3.23Å; Q308-A311 PolarHBondContact O-N 3.1Å |
| 309 | L | 97.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59 | -36 | 174.5 | -72.1 | 169.5 | 0 | 0 | 0 | 111.7 | Y243 M301 Q305 F306 | Y243-L309 HydrophobicContact CD2-CD1 3.92Å; Y243-L309 HydrophobicContact CD2-CD2 3.98Å; Y243-L309 HydrophobicContact CG-CD1 3.97Å; M301-L309 HydrophobicContact CE-CD1 3.85Å; M301-L309 HydrophobicContact SD-CD1 4.16Å; Q305-L309 WeakPolarHBondContact O-CG 2.8Å; Q305-L309 PolarHBondContact O-N 3.07Å; F306-L309 PolarHBondContact O-N 3.41Å |
| 310 | C | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 9.5 | -177.1 | -60.5 | 0 | 0 | 0 | 0 | 114.5 | F236 F306 E307 Q308 S312 L313 L314 | F236-C310 HydrophobicContact CD1-CB 3.73Å; F236-C310 HydrophobicContact CE1-CB 3.91Å; F306-C310 WeakPolarHBondContact CE2-SG 3.35Å; F306-C310 WeakPolarHBondContact O-CB 3.46Å; F306-C310 PolarHBondContact O-N 2.69Å; F306-C310 PolarHBondContact O-SG 2.69Å; E307-C310 CarbonylContact O-C 3.59Å; E307-C310 PolarHBondContact O-N 2.88Å; Q308-C310 PolarHBondContact O-N 3.21Å; C310-S312 VanDerWaalsContact C-N 3.26Å; C310-S312 PolarHBondContact O-N 3.32Å; C310-S312 VanDerWaalsContact O-N 3.15Å; C310-L313 HydrophobicContact CB-CD1 4.44Å; C310-L313 WeakPolarHBondContact O-CA 3.01Å; C310-L313 WeakPolarHBondContact O-CB 3.47Å; C310-L313 PolarHBondContact O-N 2.98Å; C310-L314 WeakPolarHBondContact O-CG 3.41Å; C310-L314 PolarHBondContact O-N 3.4Å |
| 311 | A | 97.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.4 | -36.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E307 Q308 L314 A315 | E307-A311 PolarHBondContact O-N 3.35Å; E307-A311 VanDerWaalsContact O-N 3.14Å; Q308-A311 WeakPolarHBondContact O-CB 3.23Å; Q308-A311 PolarHBondContact O-N 3.1Å; A311-L314 PolarHBondContact O-N 3.48Å; A311-A315 PolarHBondContact O-N 3.4Å |
| 312 | S | 97.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 60% | 0.601 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.4 | -27.5 | 176.2 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | C310 | C310-S312 VanDerWaalsContact C-N 3.26Å; C310-S312 PolarHBondContact O-N 3.32Å; C310-S312 VanDerWaalsContact O-N 3.15Å |
| 313 | L | 98 | Very high | 97.6 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.9 | -40.6 | 173 | -59.1 | 177.3 | 0 | 0 | 0 | 110.8 | L231 N235 F236 C310 A315 R316 | L231-L313 HydrophobicContact CD1-CB 3.96Å; L231-L313 HydrophobicContact CD1-CD2 4.22Å; N235-L313 HydrophobicContact CB-CD1 3.73Å; N235-L313 HydrophobicContact CB-CD2 3.98Å; N235-L313 WeakPolarHBondContact O-CD1 3.3Å; F236-L313 HydrophobicContact CD1-CD1 4.22Å; F236-L313 HydrophobicContact CE1-CB 4.09Å; F236-L313 HydrophobicContact CE1-CD1 4.41Å; F236-L313 HydrophobicContact CG-CD1 4.38Å; F236-L313 HydrophobicContact CZ-CB 4.17Å; C310-L313 HydrophobicContact CB-CD1 4.44Å; C310-L313 WeakPolarHBondContact O-CA 3.01Å; C310-L313 WeakPolarHBondContact O-CB 3.47Å; C310-L313 PolarHBondContact O-N 2.98Å; L313-A315 VanDerWaalsContact C-N 3.3Å; L313-A315 PolarHBondContact O-N 2.89Å; L313-R316 WeakPolarHBondContact O-CB 3.47Å; L313-R316 PolarHBondContact O-N 3.23Å; L313-R316 VanDerWaalsContact O-N 3.08Å |
| 314 | L | 98 | Very high | 97.6 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.4 | -67.3 | 169.7 | 0 | 0 | 0 | 111.9 | F236 E307 C310 A311 R316 V317 A349 V350 | F236-L314 HydrophobicContact CE1-CD2 4.05Å; F236-L314 HydrophobicContact CE1-CG 4.35Å; F236-L314 HydrophobicContact CZ-CD2 4.37Å; E307-L314 HydrophobicContact CB-CD1 4.39Å; C310-L314 WeakPolarHBondContact O-CG 3.41Å; C310-L314 PolarHBondContact O-N 3.4Å; A311-L314 PolarHBondContact O-N 3.48Å; L314-R316 PolarHBondContact O-N 2.98Å; L314-V317 WeakPolarHBondContact O-CB 3.43Å; L314-V317 WeakPolarHBondContact O-CG2 3.41Å; L314-V317 PolarHBondContact O-N 2.88Å; L314-A349 HydrophobicContact CD1-CB 3.71Å; L314-A349 HydrophobicContact CD2-CB 3.72Å; L314-A349 HydrophobicContact CG-CB 4.38Å; L314-V350 HydrophobicContact CD2-CG2 3.82Å |
| 315 | A | 97.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 51% | 0.512 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A311 L313 V317 P319 | A311-A315 PolarHBondContact O-N 3.4Å; L313-A315 VanDerWaalsContact C-N 3.3Å; L313-A315 PolarHBondContact O-N 2.89Å; A315-V317 VanDerWaalsContact C-N 3.31Å; A315-P319 WeakPolarHBondContact O-CD 3.49Å |
| 316 | R | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 49 Ų | 49 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -2.9 | 177.8 | -69.6 | 165.8 | 57.9 | -165.2 | 1 | 114 | D228 Y230 L231 L313 L314 P320 | D228-R316 IonicContact OD1-CZ 3.64Å; D228-R316 IonicContact OD1-NH2 3.41Å; D228-R316 PolarHBondContact OD1-NH2 2.98Å; D228-R316 IonicContact OD2-CZ 2.67Å; D228-R316 IonicContact OD2-NE 2.69Å; D228-R316 PolarHBondContact OD2-NE 2.73Å; D228-R316 IonicContact OD2-NH2 2.65Å; D228-R316 PolarHBondContact OD2-NH2 2.83Å; Y230-R316 PolarHBondContact O-NH2 2.83Å; L231-R316 HydrophobicContact CD1-CB 4.47Å; L231-R316 HydrophobicContact CD2-CB 3.84Å; L313-R316 WeakPolarHBondContact O-CB 3.47Å; L313-R316 PolarHBondContact O-N 3.23Å; L313-R316 VanDerWaalsContact O-N 3.08Å; L314-R316 PolarHBondContact O-N 2.98Å; R316-P320 WeakPolarHBondContact O-CD 3.45Å |
| 317 | V | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -72.4 | -35.1 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | M203 Y208 L231 L314 A315 L321 Q353 I354 | M203-V317 HydrophobicContact CE-CG2 4.02Å; Y208-V317 HydrophobicContact CE1-CG1 4.41Å; Y208-V317 WeakPolarHBondContact CE1-O 3.47Å; Y208-V317 WeakPolarHBondContact OH-CG1 3.36Å; Y208-V317 PolarHBondContact OH-O 3.02Å; Y208-V317 VanDerWaalsContact OH-O 3.12Å; L231-V317 HydrophobicContact CD2-CG2 4.27Å; L314-V317 WeakPolarHBondContact O-CB 3.43Å; L314-V317 WeakPolarHBondContact O-CG2 3.41Å; L314-V317 PolarHBondContact O-N 2.88Å; A315-V317 VanDerWaalsContact C-N 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-Q353 HydrophobicContact CB-CB 4.32Å; V317-Q353 HydrophobicContact CG1-CB 4.14Å; V317-I354 HydrophobicContact CG1-CG1 4.04Å |
| 318 | E | 97.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.8 | -39.3 | -173.5 | -153.9 | -162.9 | -179.4 | 0 | 0 | 115.6 | L321 K322 F357 | E318-L321 WeakPolarHBondContact O-CB 3.49Å; E318-L321 PolarHBondContact O-N 3.1Å; E318-L321 VanDerWaalsContact O-N 3.11Å; E318-K322 HydrophobicContact CG-CD 4.39Å; E318-K322 PolarHBondContact O-N 2.91Å; E318-K322 WeakPolarHBondContact OE1-CE 3.49Å; E318-K322 IonicContact OE1-NZ 3.96Å; E318-K322 PolarHBondContact OE1-NZ 3.02Å; E318-K322 IonicContact OE2-NZ 3.15Å; E318-K322 PolarHBondContact OE2-NZ 3.2Å; E318-F357 HydrophobicContact CG-CD2 3.74Å; E318-F357 HydrophobicContact CG-CE2 4.46Å; E318-F357 HydrophobicContact CG-CG 4.4Å |
| 319 | P | 97.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 47% | 0.468 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | -174.5 | -23.9 | 33.8 | 0 | 0 | 0 | 115.3 | A315 L321 K322 A323 | A315-P319 WeakPolarHBondContact O-CD 3.49Å; P319-L321 VanDerWaalsContact C-N 3.31Å; P319-L321 PolarHBondContact O-N 3.15Å; P319-K322 PolarHBondContact O-N 3.43Å; P319-A323 WeakPolarHBondContact O-CB 3.31Å; P319-A323 PolarHBondContact O-N 2.95Å |
| 320 | P | 97.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -35 | 173.4 | -26.3 | 38.6 | 0 | 0 | 0 | 113.1 | Y208 V210 T226 D228 R316 A323 V324 | Y208-P320 HydrophobicContact CD1-CB 4.3Å; Y208-P320 HydrophobicContact CD1-CG 3.88Å; Y208-P320 HydrophobicContact CE1-CB 3.87Å; Y208-P320 HydrophobicContact CE1-CG 3.72Å; V210-P320 HydrophobicContact CG2-CB 3.98Å; T226-P320 PolarHBondContact OG1-O 3.33Å; D228-P320 HydrophobicContact CB-CG 4.37Å; R316-P320 WeakPolarHBondContact O-CD 3.45Å; P320-A323 PolarHBondContact O-N 3.23Å; P320-V324 PolarHBondContact O-N 3.08Å |
| 321 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 175.6 | -57.7 | 177 | 0 | 0 | 0 | 111.9 | I201 Y208 V210 V317 E318 P319 M325 I354 F357 F358 | I201-L321 HydrophobicContact CD1-CD2 3.94Å; I201-L321 HydrophobicContact CG1-CD2 4.44Å; Y208-L321 WeakPolarHBondContact OH-CD2 3.17Å; Y208-L321 WeakPolarHBondContact OH-CG 3.43Å; V210-L321 HydrophobicContact CB-CD2 4.49Å; V210-L321 HydrophobicContact CG1-CD2 3.81Å; V210-L321 HydrophobicContact CG2-CD2 3.84Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; E318-L321 WeakPolarHBondContact O-CB 3.49Å; E318-L321 PolarHBondContact O-N 3.1Å; E318-L321 VanDerWaalsContact O-N 3.11Å; P319-L321 VanDerWaalsContact C-N 3.31Å; P319-L321 PolarHBondContact O-N 3.15Å; L321-M325 WeakPolarHBondContact O-CG 3.28Å; L321-M325 PolarHBondContact O-N 3.41Å; L321-I354 HydrophobicContact CD1-CG1 4.25Å; L321-F357 HydrophobicContact CB-CD1 3.57Å; L321-F357 HydrophobicContact CB-CD2 4.41Å; L321-F357 HydrophobicContact CB-CE1 3.62Å; L321-F357 HydrophobicContact CB-CE2 4.47Å; L321-F357 HydrophobicContact CB-CG 3.98Å; L321-F357 HydrophobicContact CB-CZ 4.09Å; L321-F357 HydrophobicContact CD1-CB 3.87Å; L321-F357 HydrophobicContact CD1-CD1 3.91Å; L321-F357 HydrophobicContact CD1-CG 3.95Å; L321-F357 HydrophobicContact CG-CD1 4.31Å; L321-F358 HydrophobicContact CD1-CE2 4.3Å; L321-F358 HydrophobicContact CD2-CE2 3.84Å; L321-F358 HydrophobicContact CD2-CZ 4.11Å |
| 322 | K | 97.6 | Very high | 96.8 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -54.6 | 172 | -75.8 | 170.6 | 171.4 | 160.1 | 0 | 111 | E318 P319 V324 M325 E326 F357 | E318-K322 HydrophobicContact CG-CD 4.39Å; E318-K322 PolarHBondContact O-N 2.91Å; E318-K322 WeakPolarHBondContact OE1-CE 3.49Å; E318-K322 IonicContact OE1-NZ 3.96Å; E318-K322 PolarHBondContact OE1-NZ 3.02Å; E318-K322 IonicContact OE2-NZ 3.15Å; E318-K322 PolarHBondContact OE2-NZ 3.2Å; P319-K322 PolarHBondContact O-N 3.43Å; K322-V324 VanDerWaalsContact C-N 3.3Å; K322-V324 PolarHBondContact O-N 3.38Å; K322-M325 PolarHBondContact O-N 3.06Å; K322-E326 PolarHBondContact O-N 2.81Å; K322-F357 HydrophobicContact CB-CE2 4.5Å; K322-F357 HydrophobicContact CG-CD2 4.38Å; K322-F357 HydrophobicContact CG-CE2 3.51Å; K322-F357 HydrophobicContact CG-CZ 4.07Å |
| 323 | A | 96.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 21% | 0.207 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -30.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | T226 P319 P320 Q327 | T226-A323 HydrophobicContact CG2-CB 3.9Å; P319-A323 WeakPolarHBondContact O-CB 3.31Å; P319-A323 PolarHBondContact O-N 2.95Å; P320-A323 PolarHBondContact O-N 3.23Å; A323-Q327 VanDerWaalsContact O-CB 3.28Å; A323-Q327 WeakPolarHBondContact O-CB 3.49Å; A323-Q327 WeakPolarHBondContact O-CG 3.32Å; A323-Q327 PolarHBondContact O-N 3.3Å; A323-Q327 PolarHBondContact O-NE2 3.45Å |
| 324 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.7 | -35.7 | 178.3 | 88.6 | 0 | 0 | 0 | 0 | 112.2 | V210 V212 A224 T226 P320 K322 A328 | V210-V324 HydrophobicContact CG1-CB 4.16Å; V210-V324 HydrophobicContact CG1-CG1 3.66Å; V210-V324 HydrophobicContact CG1-CG2 4.39Å; V212-V324 HydrophobicContact CB-CG2 4.48Å; V212-V324 HydrophobicContact CG2-CB 4.23Å; V212-V324 HydrophobicContact CG2-CG1 3.59Å; V212-V324 HydrophobicContact CG2-CG2 3.68Å; A224-V324 HydrophobicContact CB-CG2 3.98Å; T226-V324 HydrophobicContact CG2-CB 3.95Å; T226-V324 HydrophobicContact CG2-CG2 4.14Å; P320-V324 PolarHBondContact O-N 3.08Å; K322-V324 VanDerWaalsContact C-N 3.3Å; K322-V324 PolarHBondContact O-N 3.38Å; V324-A328 WeakPolarHBondContact O-CB 3.04Å; V324-A328 PolarHBondContact O-N 3.07Å |
| 325 | M | 97.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.059 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 179.6 | -66.6 | -57 | -60.4 | 0 | 0 | 111 | V212 L321 K322 A328 N329 L330 Q331 I335 F357 F358 | V212-M325 HydrophobicContact CG2-SD 4.37Å; L321-M325 WeakPolarHBondContact O-CG 3.28Å; L321-M325 PolarHBondContact O-N 3.41Å; K322-M325 PolarHBondContact O-N 3.06Å; M325-A328 PolarHBondContact O-N 3.17Å; M325-N329 PolarHBondContact O-N 3.41Å; M325-L330 HydrophobicContact CE-CB 3.78Å; M325-L330 WeakPolarHBondContact CE-O 3.47Å; M325-L330 PolarHBondContact O-N 3.35Å; M325-Q331 WeakPolarHBondContact CE-O 3.06Å; M325-I335 HydrophobicContact CE-CD1 3.85Å; M325-I335 HydrophobicContact CE-CG1 3.7Å; M325-I335 HydrophobicContact SD-CD1 4.01Å; M325-I335 HydrophobicContact SD-CG1 4.08Å; M325-F357 HydrophobicContact CG-CE1 4.13Å; M325-F357 HydrophobicContact CG-CZ 4.35Å; M325-F358 HydrophobicContact CG-CE1 4.28Å; M325-F358 HydrophobicContact SD-CE1 3.89Å |
| 326 | E | 96.4 | Very high | 96.4 | Very high | 153 Ų | 153 | 60.1 Ų | 60.1 | 72% | 0.715 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59 | -50.9 | 171.3 | -177.1 | 178.3 | -159.4 | 0 | 0 | 111.5 | K322 A328 N329 | K322-E326 PolarHBondContact O-N 2.81Å; E326-A328 VanDerWaalsContact C-N 3.33Å; E326-A328 PolarHBondContact O-N 2.75Å; E326-N329 PolarHBondContact O-N 3.13Å |
| 327 | Q | 94.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.4 | -26.1 | 179.9 | -71.2 | 168.7 | 36.1 | 0 | 0 | 113.9 | A224 A323 N329 N423 | A224-Q327 HydrophobicContact CB-CB 3.65Å; A323-Q327 VanDerWaalsContact O-CB 3.28Å; A323-Q327 WeakPolarHBondContact O-CB 3.49Å; A323-Q327 WeakPolarHBondContact O-CG 3.32Å; A323-Q327 PolarHBondContact O-N 3.3Å; A323-Q327 PolarHBondContact O-NE2 3.45Å; Q327-N329 VanDerWaalsContact C-N 3.32Å; Q327-N423 PolarHBondContact OE1-ND2 2.99Å |
| 328 | A | 95.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.4 | -14.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | V212 L223 A224 V324 M325 E326 L330 | V212-A328 HydrophobicContact CB-CB 4.24Å; V212-A328 HydrophobicContact CG1-CB 4.24Å; V212-A328 HydrophobicContact CG2-CB 4.4Å; L223-A328 HydrophobicContact CB-CB 4.25Å; A224-A328 HydrophobicContact CB-CB 4.1Å; V324-A328 WeakPolarHBondContact O-CB 3.04Å; V324-A328 PolarHBondContact O-N 3.07Å; M325-A328 PolarHBondContact O-N 3.17Å; E326-A328 VanDerWaalsContact C-N 3.33Å; E326-A328 PolarHBondContact O-N 2.75Å; A328-L330 HydrophobicContact CB-CD1 4.24Å; A328-L330 HydrophobicContact CB-CG 4.15Å |
| 329 | N | 95.7 | Very high | 96.3 | Very high | 142 Ų | 142 | 54.1 Ų | 54.1 | 76% | 0.759 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 51.9 | -169.7 | -169.7 | 44.8 | 0 | 0 | 0 | 112.8 | M325 E326 Q327 | M325-N329 PolarHBondContact O-N 3.41Å; E326-N329 PolarHBondContact O-N 3.13Å; Q327-N329 VanDerWaalsContact C-N 3.32Å |
| 330 | L | 95.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | trans | -125.9 | 153.3 | 178.8 | -67 | -178.7 | 0 | 0 | 0 | 111.4 | N197 V212 L223 M325 A328 D334 I335 | N197-L330 HydrophobicContact CB-CD1 4.16Å; V212-L330 HydrophobicContact CG1-CD1 3.94Å; L223-L330 HydrophobicContact CD1-CD1 4Å; M325-L330 HydrophobicContact CE-CB 3.78Å; M325-L330 WeakPolarHBondContact CE-O 3.47Å; M325-L330 PolarHBondContact O-N 3.35Å; A328-L330 HydrophobicContact CB-CD1 4.24Å; A328-L330 HydrophobicContact CB-CG 4.15Å; L330-D334 HydrophobicContact CB-CB 4.25Å; L330-D334 HydrophobicContact CD2-CB 4.05Å; L330-I335 HydrophobicContact CD1-CD1 4.18Å | ||
| 331 | Q | 94.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 50.5 Ų | 50.5 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | trans | -93.2 | 171.9 | 168.4 | -55.6 | -54.4 | -43.2 | 0 | 0 | 110.9 | M325 E333 D334 | M325-Q331 WeakPolarHBondContact CE-O 3.06Å; Q331-E333 WeakPolarHBondContact CB-OE2 3.39Å; Q331-E333 PolarHBondContact O-N 3.01Å; Q331-D334 PolarHBondContact N-OD2 3.11Å; Q331-D334 PolarHBondContact O-N 2.96Å | ||
| 332 | R | 93.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -66.9 | -31.3 | -177 | -65.1 | 175 | 177.2 | -177.1 | -8.7 | 111.5 | D334 I335 F357 | R332-D334 VanDerWaalsContact C-N 3.31Å; R332-D334 PolarHBondContact O-N 2.96Å; R332-I335 WeakPolarHBondContact O-CB 3.36Å; R332-I335 PolarHBondContact O-N 2.72Å; R332-F357 PolarHBondContact NE-O 2.85Å; R332-F357 VanDerWaalsContact NE-O 3.07Å; R332-F357 PolarHBondContact NH1-O 3.27Å; R332-F357 PolarHBondContact NH2-O 2.74Å; R332-F357 VanDerWaalsContact NH2-O 3.07Å |
| 333 | E | 93.8 | Very high | 96.1 | Very high | 152 Ų | 152 | 48 Ų | 48 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -27.1 | -178.4 | -61.3 | 66.2 | -146.4 | 0 | 0 | 111.8 | Q331 I335 | Q331-E333 WeakPolarHBondContact CB-OE2 3.39Å; Q331-E333 PolarHBondContact O-N 3.01Å; E333-I335 PolarHBondContact O-N 2.98Å |
| 334 | D | 95.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15 | 174.8 | -64.5 | -57.9 | 0 | 0 | 0 | 113.1 | N197 L330 Q331 R332 S336 | N197-D334 WeakPolarHBondContact CB-O 3.2Å; N197-D334 PolarHBondContact ND2-O 2.93Å; L330-D334 HydrophobicContact CB-CB 4.25Å; L330-D334 HydrophobicContact CD2-CB 4.05Å; Q331-D334 PolarHBondContact N-OD2 3.11Å; Q331-D334 PolarHBondContact O-N 2.96Å; R332-D334 VanDerWaalsContact C-N 3.31Å; R332-D334 PolarHBondContact O-N 2.96Å; D334-S336 PolarHBondContact O-N 2.89Å |
| 335 | I | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.3 | -177.2 | -60.8 | -52.7 | 0 | 0 | 0 | 110.7 | N197 V199 V212 M325 L330 R332 E333 S337 I338 K360 | N197-I335 HydrophobicContact CB-CD1 4.23Å; V199-I335 HydrophobicContact CG2-CD1 3.76Å; V199-I335 HydrophobicContact CG2-CG1 4.04Å; V199-I335 HydrophobicContact CG2-CG2 3.7Å; V212-I335 HydrophobicContact CG1-CD1 4.31Å; M325-I335 HydrophobicContact CE-CD1 3.85Å; M325-I335 HydrophobicContact CE-CG1 3.7Å; M325-I335 HydrophobicContact SD-CD1 4.01Å; M325-I335 HydrophobicContact SD-CG1 4.08Å; L330-I335 HydrophobicContact CD1-CD1 4.18Å; R332-I335 WeakPolarHBondContact O-CB 3.36Å; R332-I335 PolarHBondContact O-N 2.72Å; E333-I335 PolarHBondContact O-N 2.98Å; I335-S337 WeakPolarHBondContact CG2-O 3.42Å; I335-I338 HydrophobicContact CG2-CG1 3.94Å; I335-K360 PolarHBondContact O-NZ 3.29Å |
| 336 | S | 96.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -44.5 | -179.2 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | R196 N197 D334 K360 | R196-S336 VanDerWaalsContact CG-CB 3.46Å; R196-S336 WeakPolarHBondContact CG-OG 3.31Å; N197-S336 WeakPolarHBondContact O-CA 3.5Å; N197-S336 VanDerWaalsContact O-CB 3.22Å; N197-S336 WeakPolarHBondContact O-CB 3.19Å; N197-S336 PolarHBondContact O-N 3.34Å; N197-S336 PolarHBondContact O-OG 3Å; D334-S336 PolarHBondContact O-N 2.89Å; S336-K360 VanDerWaalsContact O-CE 3.29Å; S336-K360 WeakPolarHBondContact O-CE 3.39Å; S336-K360 PolarHBondContact O-NZ 2.75Å |
| 337 | S | 96.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 162 | 175.8 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | Y181 V198 V199 I335 | Y181-S337 PolarHBondContact OH-OG 2.9Å; V198-S337 WeakPolarHBondContact CA-O 3.36Å; V199-S337 PolarHBondContact N-O 2.81Å; I335-S337 WeakPolarHBondContact CG2-O 3.42Å |
| 338 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 107.2 | 179.7 | -58.1 | 146 | 0 | 0 | 0 | 107.2 | V199 I201 I335 I354 F358 K360 I362 S363 | V199-I338 HydrophobicContact CB-CG1 4.36Å; V199-I338 HydrophobicContact CB-CG2 4.38Å; V199-I338 HydrophobicContact CG2-CG1 4.43Å; V199-I338 CarbonylContact O-C 3.55Å; V199-I338 WeakPolarHBondContact O-CA 3.27Å; I201-I338 HydrophobicContact CD1-CG2 3.55Å; I201-I338 HydrophobicContact CG1-CG2 4.31Å; I335-I338 HydrophobicContact CG2-CG1 3.94Å; I338-I354 HydrophobicContact CG2-CG2 4.11Å; I338-F358 HydrophobicContact CD1-CB 3.44Å; I338-F358 VanDerWaalsContact CD1-CB 3.44Å; I338-F358 HydrophobicContact CD1-CD1 4.17Å; I338-F358 HydrophobicContact CD1-CD2 3.59Å; I338-F358 HydrophobicContact CD1-CE2 4.39Å; I338-F358 HydrophobicContact CD1-CG 3.47Å; I338-F358 VanDerWaalsContact CD1-CG 3.47Å; I338-F358 HydrophobicContact CG1-CD2 4.06Å; I338-F358 HydrophobicContact CG1-CE2 4.38Å; I338-F358 HydrophobicContact CG1-CG 4.13Å; I338-F358 HydrophobicContact CG2-CD2 4.38Å; I338-F358 HydrophobicContact CG2-CE2 4.32Å; I338-K360 HydrophobicContact CD1-CB 4.06Å; I338-K360 HydrophobicContact CD1-CG 4.23Å; I338-I362 HydrophobicContact CG2-CG2 4.14Å; I338-S363 WeakPolarHBondContact O-CA 3.46Å; I338-S363 WeakPolarHBondContact O-CB 3.34Å; I338-S363 PolarHBondContact O-N 2.99Å |
| 339 | E | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126 | -179.8 | -66.6 | -76.2 | 177.4 | 0 | 0 | 110.2 | Y181 V198 V199 F200 I201 S363 T365 L366 | Y181-E339 HydrophobicContact CD2-CG 3.92Å; Y181-E339 HydrophobicContact CE2-CG 3.83Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.35Å; V198-E339 HydrophobicContact CG1-CG 4.27Å; V199-E339 PolarHBondContact O-N 2.81Å; F200-E339 WeakPolarHBondContact CA-O 3.44Å; F200-E339 HydrophobicContact CD1-CB 3.75Å; F200-E339 HydrophobicContact CD1-CG 4.43Å; F200-E339 HydrophobicContact CE1-CB 3.84Å; F200-E339 HydrophobicContact CE1-CG 4.02Å; I201-E339 PolarHBondContact N-O 2.75Å; E339-S363 WeakPolarHBondContact CA-O 3.45Å; E339-S363 WeakPolarHBondContact OE1-CB 3.42Å; E339-S363 WeakPolarHBondContact OE2-CB 3.48Å; E339-T365 VanDerWaalsContact CD-OG1 3.26Å; E339-T365 WeakPolarHBondContact OE1-CB 3.39Å; E339-T365 WeakPolarHBondContact OE1-CG2 3.41Å; E339-T365 PolarHBondContact OE1-OG1 3.11Å; E339-T365 PolarHBondContact OE2-N 2.87Å; E339-T365 PolarHBondContact OE2-OG1 3.19Å; E339-L366 HydrophobicContact CB-CD1 4.5Å |
| 340 | I | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.5 | 178.1 | 60.8 | 151.5 | 0 | 0 | 0 | 112.4 | I201 T345 K351 I354 I362 S363 T364 | I201-I340 HydrophobicContact CB-CG2 4.23Å; I201-I340 HydrophobicContact CD1-CG2 4.46Å; I201-I340 CarbonylContact O-C 3.55Å; I201-I340 WeakPolarHBondContact O-CA 3.02Å; I340-T345 HydrophobicContact CB-CG2 4.36Å; I340-K351 HydrophobicContact CD1-CG 4.39Å; I340-I354 HydrophobicContact CG2-CD1 4.28Å; I340-I362 HydrophobicContact CD1-CD1 3.84Å; I340-I362 HydrophobicContact CG1-CD1 4.38Å; I340-I362 HydrophobicContact CG2-CB 4.28Å; I340-I362 HydrophobicContact CG2-CG2 4.23Å; I340-S363 PolarHBondContact N-O 2.85Å; I340-S363 VanDerWaalsContact N-O 3.14Å; I340-T364 HydrophobicContact CD1-CG2 4.05Å; I340-T364 HydrophobicContact CG1-CG2 3.8Å |
| 341 | V | 97.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 176.9 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | V177 I201 D202 M203 T345 L366 A371 | V177-V341 HydrophobicContact CG1-CG1 3.78Å; V177-V341 HydrophobicContact CG1-CG2 4.19Å; V177-V341 HydrophobicContact CG2-CG2 4Å; I201-V341 PolarHBondContact O-N 3.26Å; D202-V341 HydrophobicContact CB-CG2 3.75Å; M203-V341 PolarHBondContact N-O 2.94Å; V341-T345 WeakPolarHBondContact O-CG2 3.4Å; V341-T345 PolarHBondContact O-OG1 3.05Å; V341-T345 VanDerWaalsContact O-OG1 3.06Å; V341-L366 HydrophobicContact CG1-CB 4.38Å; V341-L366 HydrophobicContact CG1-CD1 4.46Å; V341-A371 HydrophobicContact CG1-CB 4.19Å |
| 342 | G | 95.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 79.8 | 138.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D202 M203 A344 T345 A368 | D202-G342 WeakPolarHBondContact OD1-CA 3.43Å; M203-G342 CarbonylContact O-C 3.55Å; M203-G342 WeakPolarHBondContact O-CA 3.43Å; G342-A344 VanDerWaalsContact C-N 3.27Å; G342-A344 PolarHBondContact O-N 3.46Å; G342-A344 VanDerWaalsContact O-N 3.07Å; G342-T345 PolarHBondContact O-N 2.94Å; G342-T345 VanDerWaalsContact O-N 3.17Å; G342-T345 PolarHBondContact O-OG1 3.27Å; G342-A368 PolarHBondContact N-O 3.04Å |
| 343 | G | 94.9 | Very high | 96.9 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -61.9 | -22.7 | -165 | 0 | 0 | 0 | 0 | 0 | 116.8 | M203 | M203-G343 PolarHBondContact O-N 3.4Š|
| 344 | A | 96.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -85.3 | -17.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M203 G342 R346 I347 | M203-A344 HydrophobicContact CB-CB 4.12Å; M203-A344 HydrophobicContact CG-CB 3.8Å; M203-A344 WeakPolarHBondContact O-CB 3.38Å; M203-A344 PolarHBondContact O-N 3.42Å; M203-A344 HydrophobicContact SD-CB 3.75Å; G342-A344 VanDerWaalsContact C-N 3.27Å; G342-A344 PolarHBondContact O-N 3.46Å; G342-A344 VanDerWaalsContact O-N 3.07Å; A344-R346 PolarHBondContact O-N 3.1Å; A344-I347 WeakPolarHBondContact O-CB 3.49Å; A344-I347 WeakPolarHBondContact O-CG1 3.48Å; A344-I347 PolarHBondContact O-N 3.06Å; A344-I347 VanDerWaalsContact O-N 3.12Å |
| 345 | T | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -66.1 | -6.1 | 170.8 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | M203 I340 V341 G342 I347 K351 | M203-T345 HydrophobicContact CB-CG2 3.61Å; I340-T345 HydrophobicContact CB-CG2 4.36Å; V341-T345 WeakPolarHBondContact O-CG2 3.4Å; V341-T345 PolarHBondContact O-OG1 3.05Å; V341-T345 VanDerWaalsContact O-OG1 3.06Å; G342-T345 PolarHBondContact O-N 2.94Å; G342-T345 VanDerWaalsContact O-N 3.17Å; G342-T345 PolarHBondContact O-OG1 3.27Å; T345-I347 VanDerWaalsContact C-N 3.3Å; T345-K351 WeakPolarHBondContact O-CE 3.45Å; T345-K351 WeakPolarHBondContact O-CG 3.37Å |
| 346 | R | 97 | Very high | 97.2 | Very high | 106 Ų | 106 | 33.6 Ų | 33.6 | 40% | 0.4 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -71.5 | -20.3 | 171.2 | -66.3 | -177.2 | 167.7 | 109 | -4.9 | 113.5 | A344 D369 | A344-R346 PolarHBondContact O-N 3.1Å; R346-D369 IonicContact CZ-OD1 3.86Å; R346-D369 IonicContact CZ-OD2 2.69Å; R346-D369 VanDerWaalsContact NH1-CG 3.35Å; R346-D369 IonicContact NH1-OD1 2.64Å; R346-D369 PolarHBondContact NH1-OD1 3.42Å; R346-D369 IonicContact NH1-OD2 3.8Å; R346-D369 PolarHBondContact NH1-OD2 3.13Å; R346-D369 VanDerWaalsContact NH1-OD2 3.16Å; R346-D369 IonicContact NH2-OD1 2.81Å; R346-D369 IonicContact NH2-OD2 2.88Å; R346-D369 PolarHBondContact NH2-OD2 3.12Å |
| 347 | I | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -65.7 | 125.1 | 178.7 | -62.8 | 169.8 | 0 | 0 | 0 | 109.7 | F236 K274 F306 A344 T345 A349 V350 K351 | F236-I347 HydrophobicContact CB-CD1 4.4Å; F236-I347 HydrophobicContact CD1-CD1 4.04Å; F236-I347 HydrophobicContact CD2-CD1 3.91Å; F236-I347 HydrophobicContact CE1-CD1 4.28Å; F236-I347 HydrophobicContact CE2-CD1 4.16Å; F236-I347 HydrophobicContact CG-CD1 3.86Å; F236-I347 HydrophobicContact CZ-CD1 4.34Å; K274-I347 HydrophobicContact CD-CD1 4.34Å; F306-I347 HydrophobicContact CE1-CG2 4.2Å; F306-I347 HydrophobicContact CZ-CD1 4.43Å; A344-I347 WeakPolarHBondContact O-CB 3.49Å; A344-I347 WeakPolarHBondContact O-CG1 3.48Å; A344-I347 PolarHBondContact O-N 3.06Å; A344-I347 VanDerWaalsContact O-N 3.12Å; T345-I347 VanDerWaalsContact C-N 3.3Å; I347-A349 PolarHBondContact O-N 2.92Å; I347-V350 HydrophobicContact CB-CB 4.27Å; I347-V350 HydrophobicContact CB-CG2 3.9Å; I347-V350 HydrophobicContact CD1-CG2 4.49Å; I347-V350 HydrophobicContact CG2-CG2 4.04Å; I347-V350 WeakPolarHBondContact O-CB 3.36Å; I347-V350 PolarHBondContact O-N 2.69Å; I347-V350 VanDerWaalsContact O-N 3.1Å; I347-K351 PolarHBondContact O-N 3.2Å |
| 348 | P | 97.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 24% | 0.24 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.3 | -51.1 | -176.8 | -30.5 | 37.7 | 0 | 0 | 0 | 114.6 | V350 K351 E352 | P348-V350 PolarHBondContact O-N 3.38Å; P348-K351 WeakPolarHBondContact O-CB 3.47Å; P348-K351 PolarHBondContact O-N 2.87Å; P348-E352 PolarHBondContact O-N 3.27Å |
| 349 | A | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E307 L314 I347 E352 Q353 | E307-A349 HydrophobicContact CG-CB 3.86Å; E307-A349 WeakPolarHBondContact OE1-CB 3.43Å; E307-A349 PolarHBondContact OE1-N 3.31Å; L314-A349 HydrophobicContact CD1-CB 3.71Å; L314-A349 HydrophobicContact CD2-CB 3.72Å; L314-A349 HydrophobicContact CG-CB 4.38Å; I347-A349 PolarHBondContact O-N 2.92Å; A349-E352 PolarHBondContact O-N 3.44Å; A349-Q353 VanDerWaalsContact O-CG 3.31Å; A349-Q353 WeakPolarHBondContact O-CG 3.25Å; A349-Q353 PolarHBondContact O-N 3.4Å |
| 350 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 174.5 | 176 | 0 | 0 | 0 | 0 | 110.4 | M203 F236 L314 I347 P348 E352 I354 | M203-V350 HydrophobicContact CE-CG1 3.69Å; M203-V350 HydrophobicContact CE-CG2 4.41Å; M203-V350 HydrophobicContact SD-CG1 4.26Å; M203-V350 HydrophobicContact SD-CG2 4.43Å; F236-V350 HydrophobicContact CZ-CG2 4.06Å; L314-V350 HydrophobicContact CD2-CG2 3.82Å; I347-V350 HydrophobicContact CB-CB 4.27Å; I347-V350 HydrophobicContact CB-CG2 3.9Å; I347-V350 HydrophobicContact CD1-CG2 4.49Å; I347-V350 HydrophobicContact CG2-CG2 4.04Å; I347-V350 WeakPolarHBondContact O-CB 3.36Å; I347-V350 PolarHBondContact O-N 2.69Å; I347-V350 VanDerWaalsContact O-N 3.1Å; P348-V350 PolarHBondContact O-N 3.38Å; V350-E352 VanDerWaalsContact C-N 3.35Å; V350-I354 HydrophobicContact CG1-CD1 4.09Å; V350-I354 WeakPolarHBondContact O-CD1 3.48Å; V350-I354 VanDerWaalsContact O-CG1 3.32Å; V350-I354 WeakPolarHBondContact O-CG1 3.38Å; V350-I354 PolarHBondContact O-N 3.14Å |
| 351 | K | 97.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.6 | -64 | -179.7 | 173.1 | -173.7 | 0 | 111.9 | I340 T345 I347 P348 I354 T355 I362 | I340-K351 HydrophobicContact CD1-CG 4.39Å; T345-K351 WeakPolarHBondContact O-CE 3.45Å; T345-K351 WeakPolarHBondContact O-CG 3.37Å; I347-K351 PolarHBondContact O-N 3.2Å; P348-K351 WeakPolarHBondContact O-CB 3.47Å; P348-K351 PolarHBondContact O-N 2.87Å; K351-I354 PolarHBondContact O-N 3.1Å; K351-T355 WeakPolarHBondContact O-CB 3.4Å; K351-T355 PolarHBondContact O-N 2.85Å; K351-T355 PolarHBondContact O-OG1 3.48Å; K351-I362 HydrophobicContact CB-CD1 3.63Å; K351-I362 HydrophobicContact CD-CD1 3.87Å; K351-I362 HydrophobicContact CG-CD1 3.61Å |
| 352 | E | 97.1 | Very high | 96.8 | Very high | 118 Ų | 118 | 49.2 Ų | 49.2 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.7 | -48.6 | 178.9 | -167.4 | -169.6 | 145.6 | 0 | 0 | 111.1 | P348 A349 V350 I354 T355 K356 | P348-E352 PolarHBondContact O-N 3.27Å; A349-E352 PolarHBondContact O-N 3.44Å; V350-E352 VanDerWaalsContact C-N 3.35Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.42Å; E352-T355 PolarHBondContact O-N 3.26Å; E352-K356 WeakPolarHBondContact O-CB 3.19Å; E352-K356 PolarHBondContact O-N 2.89Å |
| 353 | Q | 97.4 | Very high | 96.8 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 178.7 | -65.1 | -69.1 | 10.2 | 0 | 0 | 112.5 | V317 A349 F357 | V317-Q353 HydrophobicContact CB-CB 4.32Å; V317-Q353 HydrophobicContact CG1-CB 4.14Å; A349-Q353 VanDerWaalsContact O-CG 3.31Å; A349-Q353 WeakPolarHBondContact O-CG 3.25Å; A349-Q353 PolarHBondContact O-N 3.4Å; Q353-F357 WeakPolarHBondContact O-CB 3.35Å; Q353-F357 PolarHBondContact O-N 3.29Å |
| 354 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -51.2 | 174.9 | -66.3 | 163.7 | 0 | 0 | 0 | 110.7 | I201 V317 L321 I338 I340 V350 K351 E352 K356 F357 F358 I362 | I201-I354 HydrophobicContact CD1-CB 4.46Å; I201-I354 HydrophobicContact CD1-CD1 4.07Å; I201-I354 HydrophobicContact CD1-CG1 4.15Å; I201-I354 HydrophobicContact CD1-CG2 3.46Å; I201-I354 VanDerWaalsContact CD1-CG2 3.46Å; I201-I354 HydrophobicContact CG2-CD1 4.01Å; V317-I354 HydrophobicContact CG1-CG1 4.04Å; L321-I354 HydrophobicContact CD1-CG1 4.25Å; I338-I354 HydrophobicContact CG2-CG2 4.11Å; I340-I354 HydrophobicContact CG2-CD1 4.28Å; V350-I354 HydrophobicContact CG1-CD1 4.09Å; V350-I354 WeakPolarHBondContact O-CD1 3.48Å; V350-I354 VanDerWaalsContact O-CG1 3.32Å; V350-I354 WeakPolarHBondContact O-CG1 3.38Å; V350-I354 PolarHBondContact O-N 3.14Å; K351-I354 PolarHBondContact O-N 3.1Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.42Å; I354-K356 VanDerWaalsContact C-N 3.31Å; I354-K356 PolarHBondContact O-N 3.46Å; I354-F357 PolarHBondContact O-N 3.43Å; I354-F358 HydrophobicContact CG2-CD2 4.03Å; I354-F358 HydrophobicContact CG2-CE2 4.23Å; I354-F358 WeakPolarHBondContact O-CD2 3.24Å; I354-F358 PolarHBondContact O-N 2.64Å; I354-F358 VanDerWaalsContact O-N 3.08Å; I354-I362 HydrophobicContact CB-CG2 4.34Å; I354-I362 HydrophobicContact CG2-CG2 3.55Å |
| 355 | T | 97.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | -179 | -53.1 | 0 | 0 | 0 | 0 | 111 | K351 E352 F358 L359 K360 | K351-T355 WeakPolarHBondContact O-CB 3.4Å; K351-T355 PolarHBondContact O-N 2.85Å; K351-T355 PolarHBondContact O-OG1 3.48Å; E352-T355 PolarHBondContact O-N 3.26Å; T355-F358 PolarHBondContact O-N 3.42Å; T355-L359 WeakPolarHBondContact O-CA 3.38Å; T355-L359 PolarHBondContact O-N 3.3Å; T355-K360 PolarHBondContact O-N 3.07Å |
| 356 | K | 96.8 | Very high | 96.6 | Very high | 128 Ų | 128 | 57.9 Ų | 57.9 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | 177 | -177.3 | 178.5 | -179 | 176.8 | 0 | 113.2 | E352 I354 L359 | E352-K356 WeakPolarHBondContact O-CB 3.19Å; E352-K356 PolarHBondContact O-N 2.89Å; I354-K356 VanDerWaalsContact C-N 3.31Å; I354-K356 PolarHBondContact O-N 3.46Å; K356-L359 WeakPolarHBondContact O-CD2 3.48Å |
| 357 | F | 96.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.5 | -47.4 | 174.3 | 176.6 | -98 | 0 | 0 | 0 | 111.7 | E318 L321 K322 M325 R332 Q353 I354 | E318-F357 HydrophobicContact CG-CD2 3.74Å; E318-F357 HydrophobicContact CG-CE2 4.46Å; E318-F357 HydrophobicContact CG-CG 4.4Å; L321-F357 HydrophobicContact CB-CD1 3.57Å; L321-F357 HydrophobicContact CB-CD2 4.41Å; L321-F357 HydrophobicContact CB-CE1 3.62Å; L321-F357 HydrophobicContact CB-CE2 4.47Å; L321-F357 HydrophobicContact CB-CG 3.98Å; L321-F357 HydrophobicContact CB-CZ 4.09Å; L321-F357 HydrophobicContact CD1-CB 3.87Å; L321-F357 HydrophobicContact CD1-CD1 3.91Å; L321-F357 HydrophobicContact CD1-CG 3.95Å; L321-F357 HydrophobicContact CG-CD1 4.31Å; K322-F357 HydrophobicContact CB-CE2 4.5Å; K322-F357 HydrophobicContact CG-CD2 4.38Å; K322-F357 HydrophobicContact CG-CE2 3.51Å; K322-F357 HydrophobicContact CG-CZ 4.07Å; M325-F357 HydrophobicContact CG-CE1 4.13Å; M325-F357 HydrophobicContact CG-CZ 4.35Å; R332-F357 PolarHBondContact NE-O 2.85Å; R332-F357 VanDerWaalsContact NE-O 3.07Å; R332-F357 PolarHBondContact NH1-O 3.27Å; R332-F357 PolarHBondContact NH2-O 2.74Å; R332-F357 VanDerWaalsContact NH2-O 3.07Å; Q353-F357 WeakPolarHBondContact O-CB 3.35Å; Q353-F357 PolarHBondContact O-N 3.29Å; I354-F357 PolarHBondContact O-N 3.43Å |
| 358 | F | 96.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -83.2 | -15.4 | -177.6 | -71.9 | -72.5 | 0 | 0 | 0 | 114.7 | V199 I201 L321 M325 I338 I354 T355 K360 | V199-F358 HydrophobicContact CB-CZ 4.38Å; V199-F358 HydrophobicContact CG1-CZ 4.02Å; V199-F358 HydrophobicContact CG2-CE1 4Å; V199-F358 HydrophobicContact CG2-CZ 3.94Å; I201-F358 HydrophobicContact CD1-CE2 4.1Å; L321-F358 HydrophobicContact CD1-CE2 4.3Å; L321-F358 HydrophobicContact CD2-CE2 3.84Å; L321-F358 HydrophobicContact CD2-CZ 4.11Å; M325-F358 HydrophobicContact CG-CE1 4.28Å; M325-F358 HydrophobicContact SD-CE1 3.89Å; I338-F358 HydrophobicContact CD1-CB 3.44Å; I338-F358 VanDerWaalsContact CD1-CB 3.44Å; I338-F358 HydrophobicContact CD1-CD1 4.17Å; I338-F358 HydrophobicContact CD1-CD2 3.59Å; I338-F358 HydrophobicContact CD1-CE2 4.39Å; I338-F358 HydrophobicContact CD1-CG 3.47Å; I338-F358 VanDerWaalsContact CD1-CG 3.47Å; I338-F358 HydrophobicContact CG1-CD2 4.06Å; I338-F358 HydrophobicContact CG1-CE2 4.38Å; I338-F358 HydrophobicContact CG1-CG 4.13Å; I338-F358 HydrophobicContact CG2-CD2 4.38Å; I338-F358 HydrophobicContact CG2-CE2 4.32Å; I354-F358 HydrophobicContact CG2-CD2 4.03Å; I354-F358 HydrophobicContact CG2-CE2 4.23Å; I354-F358 WeakPolarHBondContact O-CD2 3.24Å; I354-F358 PolarHBondContact O-N 2.64Å; I354-F358 VanDerWaalsContact O-N 3.08Å; T355-F358 PolarHBondContact O-N 3.42Å; F358-K360 HydrophobicContact CB-CB 4.22Å; F358-K360 PolarHBondContact O-N 3.08Å |
| 359 | L | 95.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 57.5 Ų | 57.5 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 33.8 | -169.8 | -53.3 | 176.3 | 0 | 0 | 0 | 112.4 | T355 K356 | T355-L359 WeakPolarHBondContact O-CA 3.38Å; T355-L359 PolarHBondContact O-N 3.3Å; K356-L359 WeakPolarHBondContact O-CD2 3.48Å |
| 360 | K | 95.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 37% | 0.365 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -152.6 | 141.8 | -170 | -176.2 | 163.6 | -178.3 | 164.3 | 0 | 111.4 | I335 S336 I338 T355 F358 | I335-K360 PolarHBondContact O-NZ 3.29Å; S336-K360 VanDerWaalsContact O-CE 3.29Å; S336-K360 WeakPolarHBondContact O-CE 3.39Å; S336-K360 PolarHBondContact O-NZ 2.75Å; I338-K360 HydrophobicContact CD1-CB 4.06Å; I338-K360 HydrophobicContact CD1-CG 4.23Å; T355-K360 PolarHBondContact O-N 3.07Å; F358-K360 HydrophobicContact CB-CB 4.22Å; F358-K360 PolarHBondContact O-N 3.08Å |
| 361 | D | 95.8 | Very high | 96 | Very high | 133 Ų | 133 | 57.8 Ų | 57.8 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 137.7 | -179.1 | -66.1 | -48.6 | 0 | 0 | 0 | 112.9 | ||
| 362 | I | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 139.9 | 172.7 | 57.3 | 175.3 | 0 | 0 | 0 | 111.3 | I338 I340 K351 I354 | I338-I362 HydrophobicContact CG2-CG2 4.14Å; I340-I362 HydrophobicContact CD1-CD1 3.84Å; I340-I362 HydrophobicContact CG1-CD1 4.38Å; I340-I362 HydrophobicContact CG2-CB 4.28Å; I340-I362 HydrophobicContact CG2-CG2 4.23Å; K351-I362 HydrophobicContact CB-CD1 3.63Å; K351-I362 HydrophobicContact CD-CD1 3.87Å; K351-I362 HydrophobicContact CG-CD1 3.61Å; I354-I362 HydrophobicContact CB-CG2 4.34Å; I354-I362 HydrophobicContact CG2-CG2 3.55Å |
| 363 | S | 96.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 146.3 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | I338 E339 I340 | I338-S363 WeakPolarHBondContact O-CA 3.46Å; I338-S363 WeakPolarHBondContact O-CB 3.34Å; I338-S363 PolarHBondContact O-N 2.99Å; E339-S363 WeakPolarHBondContact CA-O 3.45Å; E339-S363 WeakPolarHBondContact OE1-CB 3.42Å; E339-S363 WeakPolarHBondContact OE2-CB 3.48Å; I340-S363 PolarHBondContact N-O 2.85Å; I340-S363 VanDerWaalsContact N-O 3.14Å |
| 364 | T | 95.3 | Very high | 96 | Very high | 95 Ų | 95 | 49.7 Ų | 49.7 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | trans | -131.8 | 47.8 | 174.3 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | I340 L366 | I340-T364 HydrophobicContact CD1-CG2 4.05Å; I340-T364 HydrophobicContact CG1-CG2 3.8Å; T364-L366 PolarHBondContact O-N 2.84Å | ||
| 365 | T | 93.4 | Very high | 96 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | trans | -78 | -13.8 | -178.9 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | E339 | E339-T365 VanDerWaalsContact CD-OG1 3.26Å; E339-T365 WeakPolarHBondContact OE1-CB 3.39Å; E339-T365 WeakPolarHBondContact OE1-CG2 3.41Å; E339-T365 PolarHBondContact OE1-OG1 3.11Å; E339-T365 PolarHBondContact OE2-N 2.87Å; E339-T365 PolarHBondContact OE2-OG1 3.19Å | ||
| 366 | L | 94.3 | Very high | 96 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -99.8 | 148 | 172.6 | -53.4 | 178.8 | 0 | 0 | 0 | 110.9 | V177 Y181 F200 E339 V341 T364 A368 A371 | V177-L366 HydrophobicContact CG1-CD1 3.43Å; V177-L366 VanDerWaalsContact CG1-CD1 3.43Å; Y181-L366 HydrophobicContact CD2-CD2 4.48Å; F200-L366 HydrophobicContact CD1-CD1 4.47Å; F200-L366 HydrophobicContact CE1-CD1 4.13Å; E339-L366 HydrophobicContact CB-CD1 4.5Å; V341-L366 HydrophobicContact CG1-CB 4.38Å; V341-L366 HydrophobicContact CG1-CD1 4.46Å; T364-L366 PolarHBondContact O-N 2.84Å; L366-A368 PolarHBondContact O-N 2.72Å; L366-A371 HydrophobicContact CB-CB 4.14Å; L366-A371 HydrophobicContact CD1-CB 4.49Å |
| 367 | N | 95 | Very high | 96 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | trans | -70.6 | 113.6 | 168 | 179.9 | -28.7 | 0 | 0 | 0 | 109.2 | D369 E370 A371 | N367-D369 PolarHBondContact O-N 3.13Å; N367-D369 VanDerWaalsContact O-N 3.09Å; N367-D369 PolarHBondContact OD1-N 2.98Å; N367-D369 VanDerWaalsContact OD1-N 3.07Å; N367-E370 HydrophobicContact CB-CB 4.03Å; N367-E370 HydrophobicContact CB-CG 4.41Å; N367-E370 VanDerWaalsContact ND2-CG 3.28Å; N367-E370 WeakPolarHBondContact ND2-CG 3.44Å; N367-E370 PolarHBondContact ND2-OE2 2.94Å; N367-E370 VanDerWaalsContact ND2-OE2 3.16Å; N367-E370 PolarHBondContact O-N 3.02Å; N367-E370 PolarHBondContact OD1-N 2.78Å; N367-A371 VanDerWaalsContact O-CB 3.23Å; N367-A371 WeakPolarHBondContact O-CB 3.32Å; N367-A371 PolarHBondContact O-N 2.88Å | ||
| 368 | A | 93.9 | Very high | 96 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G342 L366 | G342-A368 PolarHBondContact N-O 3.04Å; L366-A368 PolarHBondContact O-N 2.72Å |
| 369 | D | 94.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -34.2 | 177 | -55.6 | -49 | 0 | 0 | 0 | 112.3 | Y14 R346 N367 | Y14-D369 HydrophobicContact CE1-CB 3.97Å; Y14-D369 HydrophobicContact CE2-CB 4.31Å; R346-D369 IonicContact CZ-OD1 3.86Å; R346-D369 IonicContact CZ-OD2 2.69Å; R346-D369 VanDerWaalsContact NH1-CG 3.35Å; R346-D369 IonicContact NH1-OD1 2.64Å; R346-D369 PolarHBondContact NH1-OD1 3.42Å; R346-D369 IonicContact NH1-OD2 3.8Å; R346-D369 PolarHBondContact NH1-OD2 3.13Å; R346-D369 VanDerWaalsContact NH1-OD2 3.16Å; R346-D369 IonicContact NH2-OD1 2.81Å; R346-D369 IonicContact NH2-OD2 2.88Å; R346-D369 PolarHBondContact NH2-OD2 3.12Å; N367-D369 PolarHBondContact O-N 3.13Å; N367-D369 VanDerWaalsContact O-N 3.09Å; N367-D369 PolarHBondContact OD1-N 2.98Å; N367-D369 VanDerWaalsContact OD1-N 3.07Å |
| 370 | E | 96 | Very high | 95.9 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -17.6 | -173.5 | -60.4 | -176.2 | 162.6 | 0 | 0 | 114.4 | T25 R33 N367 V372 A373 R374 | T25-E370 HydrophobicContact CG2-CB 3.74Å; T25-E370 HydrophobicContact CG2-CG 3.75Å; T25-E370 PolarHBondContact OG1-OE1 2.84Å; T25-E370 PolarHBondContact OG1-OE2 2.8Å; R33-E370 VanDerWaalsContact CD-OE1 3.23Å; R33-E370 WeakPolarHBondContact CD-OE1 3.5Å; R33-E370 IonicContact CZ-OE1 3.27Å; R33-E370 IonicContact NE-OE1 3.21Å; R33-E370 IonicContact NH1-OE1 2.69Å; R33-E370 PolarHBondContact NH1-OE1 3.16Å; N367-E370 HydrophobicContact CB-CB 4.03Å; N367-E370 HydrophobicContact CB-CG 4.41Å; N367-E370 VanDerWaalsContact ND2-CG 3.28Å; N367-E370 WeakPolarHBondContact ND2-CG 3.44Å; N367-E370 PolarHBondContact ND2-OE2 2.94Å; N367-E370 VanDerWaalsContact ND2-OE2 3.16Å; N367-E370 PolarHBondContact O-N 3.02Å; N367-E370 PolarHBondContact OD1-N 2.78Å; E370-V372 PolarHBondContact O-N 2.85Å; E370-A373 PolarHBondContact O-N 2.97Å; E370-R374 HydrophobicContact CB-CG 4.43Å; E370-R374 WeakPolarHBondContact O-CB 3.39Å; E370-R374 VanDerWaalsContact O-CG 3.3Å; E370-R374 WeakPolarHBondContact O-CG 3.42Å; E370-R374 PolarHBondContact O-N 2.82Å; E370-R374 IonicContact OE2-CZ 3.76Å; E370-R374 VanDerWaalsContact OE2-CZ 3.26Å; E370-R374 IonicContact OE2-NE 3.19Å; E370-R374 PolarHBondContact OE2-NE 2.83Å; E370-R374 IonicContact OE2-NH2 3.72Å; E370-R374 PolarHBondContact OE2-NH2 3.42Å |
| 371 | A | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.1 | V177 V341 L366 N367 G375 | V177-A371 HydrophobicContact CG1-CB 4.38Å; V177-A371 HydrophobicContact CG2-CB 4.14Å; V341-A371 HydrophobicContact CG1-CB 4.19Å; L366-A371 HydrophobicContact CB-CB 4.14Å; L366-A371 HydrophobicContact CD1-CB 4.49Å; N367-A371 VanDerWaalsContact O-CB 3.23Å; N367-A371 WeakPolarHBondContact O-CB 3.32Å; N367-A371 PolarHBondContact O-N 2.88Å; A371-G375 PolarHBondContact O-N 2.95Å |
| 372 | V | 97.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -53.5 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | D7 S143 E173 A176 V177 E370 R374 G375 C376 | D7-V372 HydrophobicContact CB-CB 4.08Å; D7-V372 HydrophobicContact CB-CG1 3.96Å; D7-V372 VanDerWaalsContact OD1-CG1 3.3Å; D7-V372 WeakPolarHBondContact OD1-CG1 3.46Å; S143-V372 VanDerWaalsContact CB-CG1 3.45Å; E173-V372 HydrophobicContact CB-CG1 4.34Å; E173-V372 HydrophobicContact CG-CG1 4.08Å; A176-V372 HydrophobicContact CB-CG1 4.19Å; V177-V372 HydrophobicContact CG2-CB 4.49Å; V177-V372 HydrophobicContact CG2-CG2 3.63Å; E370-V372 PolarHBondContact O-N 2.85Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.37Å; V372-G375 WeakPolarHBondContact O-CA 3.45Å; V372-G375 PolarHBondContact O-N 2.97Å; V372-G375 VanDerWaalsContact O-N 3.08Å; V372-C376 PolarHBondContact O-N 3.05Å; V372-C376 PolarHBondContact O-SG 2.85Å |
| 373 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D7 A16 E370 G375 C376 A377 | D7-A373 HydrophobicContact CB-CB 3.87Å; A16-A373 HydrophobicContact CB-CB 4.08Å; A16-A373 WeakPolarHBondContact CB-O 3.19Å; E370-A373 PolarHBondContact O-N 2.97Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.27Å; A373-C376 PolarHBondContact O-N 2.77Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 2.89Å |
| 374 | R | 97 | Very high | 95.1 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 25% | 0.245 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -41.8 | 174.1 | -71.6 | 171.9 | 175.9 | -89.3 | 3.2 | 111.6 | A16 I23 T25 E370 V372 A377 L378 | A16-R374 HydrophobicContact CB-CG 4.24Å; I23-R374 HydrophobicContact CG2-CB 4.27Å; I23-R374 HydrophobicContact CG2-CG 4.3Å; I23-R374 PolarHBondContact O-NH1 2.86Å; T25-R374 HydrophobicContact CG2-CG 4.23Å; E370-R374 HydrophobicContact CB-CG 4.43Å; E370-R374 WeakPolarHBondContact O-CB 3.39Å; E370-R374 VanDerWaalsContact O-CG 3.3Å; E370-R374 WeakPolarHBondContact O-CG 3.42Å; E370-R374 PolarHBondContact O-N 2.82Å; E370-R374 IonicContact OE2-CZ 3.76Å; E370-R374 VanDerWaalsContact OE2-CZ 3.26Å; E370-R374 IonicContact OE2-NE 3.19Å; E370-R374 PolarHBondContact OE2-NE 2.83Å; E370-R374 IonicContact OE2-NH2 3.72Å; E370-R374 PolarHBondContact OE2-NH2 3.42Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.37Å; R374-A377 PolarHBondContact O-N 3.29Å; R374-L378 VanDerWaalsContact O-CG 3.3Å; R374-L378 WeakPolarHBondContact O-CG 3.45Å; R374-L378 PolarHBondContact O-N 3.43Å |
| 375 | G | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A176 A371 V372 A373 A377 L378 Q379 | A176-G375 VanDerWaalsContact O-CA 3.25Å; A176-G375 WeakPolarHBondContact O-CA 3.42Å; A371-G375 PolarHBondContact O-N 2.95Å; V372-G375 WeakPolarHBondContact O-CA 3.45Å; V372-G375 PolarHBondContact O-N 2.97Å; V372-G375 VanDerWaalsContact O-N 3.08Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.27Å; G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 2.86Å; G375-L378 WeakPolarHBondContact O-CB 3.3Å; G375-L378 PolarHBondContact O-N 3.37Å; G375-Q379 PolarHBondContact O-N 2.89Å |
| 376 | C | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 174.6 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | V141 V372 A373 Q379 C380 | V141-C376 HydrophobicContact CB-CB 4.26Å; V141-C376 WeakPolarHBondContact CB-O 3.45Å; V141-C376 HydrophobicContact CG1-CB 3.84Å; V372-C376 PolarHBondContact O-N 3.05Å; V372-C376 PolarHBondContact O-SG 2.85Å; A373-C376 PolarHBondContact O-N 2.77Å; C376-Q379 PolarHBondContact O-N 3.41Å; C376-C380 WeakPolarHBondContact O-CB 3.46Å; C376-C380 PolarHBondContact O-N 2.85Å |
| 377 | A | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.3 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V3 A16 I23 A373 R374 G375 C380 A381 | V3-A377 WeakPolarHBondContact CG1-O 3.33Å; A16-A377 HydrophobicContact CB-CB 3.71Å; A16-A377 WeakPolarHBondContact O-CB 3.33Å; I23-A377 HydrophobicContact CD1-CB 4.26Å; I23-A377 HydrophobicContact CG2-CB 3.67Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 2.89Å; R374-A377 PolarHBondContact O-N 3.29Å; G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 2.86Å; A377-C380 PolarHBondContact O-N 2.86Å; A377-A381 WeakPolarHBondContact O-CB 3.38Å; A377-A381 PolarHBondContact O-N 3.33Å |
| 378 | L | 95.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -45 | 168.9 | -73.8 | 164.7 | 0 | 0 | 0 | 111.4 | I23 L179 A180 I183 Y184 R374 G375 C380 A381 I382 | I23-L378 HydrophobicContact CG1-CD2 3.62Å; I23-L378 HydrophobicContact CG1-CG 3.94Å; L179-L378 HydrophobicContact CD2-CB 3.76Å; L179-L378 HydrophobicContact CG-CB 4.11Å; L179-L378 HydrophobicContact CG-CD1 4.37Å; A180-L378 HydrophobicContact CB-CD1 4.27Å; I183-L378 HydrophobicContact CD1-CD2 4.29Å; I183-L378 HydrophobicContact CG2-CD1 3.67Å; I183-L378 HydrophobicContact CG2-CD2 3.99Å; I183-L378 HydrophobicContact CG2-CG 4.44Å; Y184-L378 HydrophobicContact CE2-CD1 4.14Å; R374-L378 VanDerWaalsContact O-CG 3.3Å; R374-L378 WeakPolarHBondContact O-CG 3.45Å; R374-L378 PolarHBondContact O-N 3.43Å; G375-L378 WeakPolarHBondContact O-CB 3.3Å; G375-L378 PolarHBondContact O-N 3.37Å; L378-C380 VanDerWaalsContact C-N 3.34Å; L378-C380 PolarHBondContact O-N 2.98Å; L378-A381 WeakPolarHBondContact O-CB 3.34Å; L378-A381 PolarHBondContact O-N 3.25Å; L378-I382 VanDerWaalsContact O-CG1 3.31Å; L378-I382 WeakPolarHBondContact O-CG1 3.3Å; L378-I382 PolarHBondContact O-N 3.02Å |
| 379 | Q | 95.7 | Very high | 92.5 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.6 | 178.3 | 60.1 | 86 | 0 | 0 | 112.4 | V141 M171 L179 G375 C376 I382 L383 | V141-Q379 HydrophobicContact CG1-CB 4.23Å; V141-Q379 HydrophobicContact CG1-CG 4.08Å; V141-Q379 HydrophobicContact CG2-CG 4.16Å; M171-Q379 HydrophobicContact CE-CB 4.05Å; M171-Q379 HydrophobicContact CE-CG 4.24Å; M171-Q379 HydrophobicContact SD-CB 3.58Å; M171-Q379 VanDerWaalsContact SD-CB 3.58Å; M171-Q379 HydrophobicContact SD-CG 3.82Å; L179-Q379 HydrophobicContact CD2-CB 3.87Å; G375-Q379 PolarHBondContact O-N 2.89Å; C376-Q379 PolarHBondContact O-N 3.41Å; Q379-I382 PolarHBondContact O-N 2.83Å; Q379-L383 HydrophobicContact CG-CD1 4.28Å; Q379-L383 WeakPolarHBondContact O-CG 3.44Å; Q379-L383 PolarHBondContact O-N 3.4Å; Q379-L383 VanDerWaalsContact O-N 3.16Å |
| 380 | C | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | V3 V4 V141 C376 A377 L378 L383 S384 | V3-C380 HydrophobicContact CG1-CB 4.03Å; V4-C380 PolarHBondContact N-SG 3.43Å; V4-C380 VanDerWaalsContact N-SG 3.43Å; V141-C380 HydrophobicContact CB-CB 4.1Å; V141-C380 HydrophobicContact CG2-CB 3.67Å; C376-C380 WeakPolarHBondContact O-CB 3.46Å; C376-C380 PolarHBondContact O-N 2.85Å; A377-C380 PolarHBondContact O-N 2.86Å; L378-C380 VanDerWaalsContact C-N 3.34Å; L378-C380 PolarHBondContact O-N 2.98Å; C380-L383 PolarHBondContact O-N 3.49Å; C380-S384 WeakPolarHBondContact O-CB 3.3Å; C380-S384 PolarHBondContact O-N 3.47Å; C380-S384 VanDerWaalsContact O-N 3.13Å |
| 381 | A | 93.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V3 A377 L378 L383 S384 V389 | V3-A381 HydrophobicContact CG1-CB 3.92Å; V3-A381 HydrophobicContact CG2-CB 4.35Å; A377-A381 WeakPolarHBondContact O-CB 3.38Å; A377-A381 PolarHBondContact O-N 3.33Å; L378-A381 WeakPolarHBondContact O-CB 3.34Å; L378-A381 PolarHBondContact O-N 3.25Å; A381-L383 PolarHBondContact O-N 2.86Å; A381-S384 WeakPolarHBondContact O-CB 3.17Å; A381-S384 PolarHBondContact O-N 3.19Å; A381-V389 HydrophobicContact CB-CG2 3.51Å |
| 382 | I | 92.5 | Very high | 91.2 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 177 | -70.2 | 165.5 | 0 | 0 | 0 | 112 | L179 I183 L378 Q379 V389 F392 | L179-I382 HydrophobicContact CD1-CD1 4.22Å; L179-I382 HydrophobicContact CD2-CD1 4.25Å; I183-I382 HydrophobicContact CD1-CD1 4.43Å; L378-I382 VanDerWaalsContact O-CG1 3.31Å; L378-I382 WeakPolarHBondContact O-CG1 3.3Å; L378-I382 PolarHBondContact O-N 3.02Å; Q379-I382 PolarHBondContact O-N 2.83Å; I382-V389 HydrophobicContact CG1-CB 4.04Å; I382-V389 HydrophobicContact CG1-CG1 3.83Å; I382-V389 HydrophobicContact CG1-CG2 4.35Å; I382-F392 HydrophobicContact CD1-CB 4.42Å |
| 383 | L | 91.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.356 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -6.1 | 176.5 | -66.3 | 168.8 | 0 | 0 | 0 | 113.3 | V141 L168 R169 Q379 C380 A381 | V141-L383 HydrophobicContact CG2-CD1 4.31Å; L168-L383 HydrophobicContact CB-CD1 3.93Å; L168-L383 HydrophobicContact CD1-CB 4.07Å; R169-L383 HydrophobicContact CB-CD1 3.94Å; Q379-L383 HydrophobicContact CG-CD1 4.28Å; Q379-L383 WeakPolarHBondContact O-CG 3.44Å; Q379-L383 PolarHBondContact O-N 3.4Å; Q379-L383 VanDerWaalsContact O-N 3.16Å; C380-L383 PolarHBondContact O-N 3.49Å; A381-L383 PolarHBondContact O-N 2.86Å |
| 384 | S | 88.3 | Confident | 90.8 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -92.3 | 119.2 | -175.2 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | M1 C380 A381 A386 F387 | M1-S384 PolarHBondContact SD-OG 2.92Å; C380-S384 WeakPolarHBondContact O-CB 3.3Å; C380-S384 PolarHBondContact O-N 3.47Å; C380-S384 VanDerWaalsContact O-N 3.13Å; A381-S384 WeakPolarHBondContact O-CB 3.17Å; A381-S384 PolarHBondContact O-N 3.19Å; S384-A386 PolarHBondContact O-N 2.6Å; S384-F387 PolarHBondContact O-N 3.27Å | ||
| 385 | P | 86.1 | Confident | 90.7 | Very high | 125 Ų | 125 | 53.6 Ų | 53.6 | 81% | 0.812 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8.6 | 175.5 | 29.1 | -35.9 | 0 | 0 | 0 | 113.3 | M1 | M1-P385 HydrophobicContact CE-CG 4.47Š|
| 386 | A | 84.3 | Confident | 90.7 | Very high | 66 Ų | 66 | 54 Ų | 54 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1 S384 | M1-A386 HydrophobicContact CB-CB 4.49Å; S384-A386 PolarHBondContact O-N 2.6Å |
| 387 | F | 82 | Confident | 90.5 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 37% | 0.373 | 29% | 0.287 | S | S | . | . | trans | -121.5 | 117.6 | -174.7 | -73.6 | -95.7 | 0 | 0 | 0 | 111.2 | V3 A18 S384 V389 | V3-F387 HydrophobicContact CB-CE2 4.29Å; V3-F387 HydrophobicContact CG2-CD2 3.44Å; V3-F387 VanDerWaalsContact CG2-CD2 3.44Å; V3-F387 HydrophobicContact CG2-CE2 3.49Å; V3-F387 VanDerWaalsContact CG2-CE2 3.49Å; V3-F387 HydrophobicContact CG2-CG 4.11Å; V3-F387 HydrophobicContact CG2-CZ 4.18Å; A18-F387 HydrophobicContact CB-CD1 4.28Å; A18-F387 HydrophobicContact CB-CE1 3.71Å; A18-F387 HydrophobicContact CB-CZ 4.06Å; S384-F387 PolarHBondContact O-N 3.27Å; F387-V389 HydrophobicContact CB-CG2 4.42Å; F387-V389 PolarHBondContact O-N 2.93Å | ||
| 388 | K | 80.9 | Confident | 90.3 | Very high | 220 Ų | 220 | 54.8 Ų | 54.8 | 96% | 0.957 | 29% | 0.289 | S | S | * | . | trans | -80.7 | 96.1 | 171.8 | -68.9 | -171.5 | 177.6 | -175.1 | 0 | 109.8 | ||||
| 389 | V | 85 | Confident | 90 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -92 | 154.4 | 173 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | I183 A381 I382 F387 E391 | I183-V389 HydrophobicContact CD1-CG1 3.77Å; A381-V389 HydrophobicContact CB-CG2 3.51Å; I382-V389 HydrophobicContact CG1-CB 4.04Å; I382-V389 HydrophobicContact CG1-CG1 3.83Å; I382-V389 HydrophobicContact CG1-CG2 4.35Å; F387-V389 HydrophobicContact CB-CG2 4.42Å; F387-V389 PolarHBondContact O-N 2.93Å; V389-E391 PolarHBondContact O-N 3.16Å |
| 390 | R | 84.3 | Confident | 90 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 128.5 | 166.4 | 179.5 | -176 | -177.7 | -167.7 | 2.9 | 109.5 | I183 K185 F392 | I183-R390 PolarHBondContact O-NH1 3.04Å; K185-R390 PolarHBondContact O-NH1 3.34Å; R390-F392 PolarHBondContact O-N 2.86Å |
| 391 | E | 85 | Confident | 89.9 | Confident | 179 Ų | 179 | 54.9 Ų | 54.9 | 84% | 0.836 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 126.8 | 176 | -67.4 | -173.1 | 177.9 | 0 | 0 | 110.8 | V389 | V389-E391 PolarHBondContact O-N 3.16Š|
| 392 | F | 90.5 | Very high | 90 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | trans | -147.3 | 105.6 | -177.3 | -161.8 | -89.4 | 0 | 0 | 0 | 110 | L179 G182 I183 F215 G218 L220 I382 R390 I394 | L179-F392 HydrophobicContact CD1-CD1 3.37Å; L179-F392 HydrophobicContact CD1-CE1 3.65Å; L179-F392 HydrophobicContact CD1-CG 4.1Å; G182-F392 WeakPolarHBondContact O-CE2 3.4Å; I183-F392 HydrophobicContact CB-CD2 4.39Å; I183-F392 HydrophobicContact CD1-CB 4.33Å; I183-F392 HydrophobicContact CG1-CD2 4.29Å; F215-F392 HydrophobicContact CD1-CZ 4.26Å; F215-F392 HydrophobicContact CE1-CZ 4.24Å; G218-F392 CarbonylContact O-C 3.46Å; G218-F392 WeakPolarHBondContact O-CA 3.5Å; L220-F392 HydrophobicContact CB-CE1 3.5Å; L220-F392 HydrophobicContact CB-CZ 3.89Å; L220-F392 HydrophobicContact CD2-CE1 4.33Å; I382-F392 HydrophobicContact CD1-CB 4.42Å; R390-F392 PolarHBondContact O-N 2.86Å; F392-I394 HydrophobicContact CD1-CD1 4.44Å; F392-I394 HydrophobicContact CD1-CG1 3.89Å; F392-I394 HydrophobicContact CE1-CG1 4.22Å | ||
| 393 | S | 92.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.6 | -179.4 | -171.1 | 0 | 0 | 0 | 0 | 110.7 | G218 K219 L220 | G218-S393 PolarHBondContact O-N 3.44Å; K219-S393 WeakPolarHBondContact CA-O 3.12Å; L220-S393 PolarHBondContact N-O 3.07Å |
| 394 | I | 95 | Very high | 90.3 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.5 | -179.5 | -54.2 | 174 | 0 | 0 | 0 | 109 | M171 T175 L179 L220 F392 | M171-I394 HydrophobicContact CE-CD1 4.18Å; T175-I394 HydrophobicContact CG2-CG2 3.84Å; L179-I394 HydrophobicContact CB-CD1 4.28Å; L179-I394 HydrophobicContact CD1-CD1 3.82Å; L179-I394 HydrophobicContact CD1-CG1 4.47Å; L179-I394 HydrophobicContact CD2-CD1 3.78Å; L179-I394 HydrophobicContact CG-CD1 4.17Å; L220-I394 HydrophobicContact CD2-CG1 4.49Å; L220-I394 HydrophobicContact CD2-CG2 4.07Å; L220-I394 HydrophobicContact CG-CG2 4.34Å; L220-I394 WeakPolarHBondContact O-CA 3.43Å; F392-I394 HydrophobicContact CD1-CD1 4.44Å; F392-I394 HydrophobicContact CD1-CG1 3.89Å; F392-I394 HydrophobicContact CE1-CG1 4.22Å |
| 395 | T | 95.4 | Very high | 90.6 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.2 | 166 | -53.3 | 0 | 0 | 0 | 0 | 108.5 | L220 K221 V222 P425 | L220-T395 PolarHBondContact O-N 2.96Å; K221-T395 HydrophobicContact CG-CG2 4.35Å; V222-T395 PolarHBondContact N-O 3.21Å; T395-P425 HydrophobicContact CG2-CB 3.86Å |
| 396 | D | 95.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 175.8 | 179.5 | -155.6 | -21.4 | 0 | 0 | 0 | 109.4 | R169 N172 T175 P425 A426 | R169-D396 IonicContact NH2-OD2 2.77Å; R169-D396 PolarHBondContact NH2-OD2 3.21Å; N172-D396 PolarHBondContact ND2-OD1 2.88Å; N172-D396 PolarHBondContact ND2-OD2 2.77Å; T175-D396 HydrophobicContact CG2-CB 4.48Å; T175-D396 PolarHBondContact OG1-OD1 3.4Å; D396-P425 CarbonylContact O-C 3.5Å; D396-P425 WeakPolarHBondContact O-CA 3.17Å; D396-A426 PolarHBondContact N-O 3.36Å; D396-A426 PolarHBondContact O-N 2.9Å |
| 397 | L | 94.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 158.5 | -176.7 | -55.4 | -179.1 | 0 | 0 | 0 | 113.5 | V222 L223 N423 H424 P425 | V222-L397 HydrophobicContact CB-CD1 4.21Å; V222-L397 HydrophobicContact CB-CG 3.95Å; V222-L397 HydrophobicContact CG1-CD1 3.67Å; V222-L397 HydrophobicContact CG1-CG 3.86Å; V222-L397 WeakPolarHBondContact O-CD2 3.32Å; L223-L397 WeakPolarHBondContact O-CD1 3.34Å; L397-N423 HydrophobicContact CD1-CB 4.06Å; L397-N423 WeakPolarHBondContact CD2-O 3.31Å; L397-H424 WeakPolarHBondContact CA-O 3.44Å; L397-P425 HydrophobicContact CD2-CG 4.3Å |
| 398 | V | 92.2 | Very high | 90.7 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.6 | 163.6 | -165.6 | 0 | 0 | 0 | 0 | 108.5 | Y400 N423 H424 A426 V484 | V398-Y400 PolarHBondContact O-N 3.42Å; V398-N423 WeakPolarHBondContact O-CA 3.5Å; V398-N423 PolarHBondContact O-N 2.82Å; V398-H424 PolarHBondContact N-O 2.69Å; V398-H424 PolarHBondContact O-N 3.21Å; V398-A426 HydrophobicContact CG2-CB 3.88Å; V398-V484 HydrophobicContact CG2-CB 4.23Å; V398-V484 HydrophobicContact CG2-CG1 3.74Å; V398-V484 HydrophobicContact CG2-CG2 4.23Å |
| 399 | P | 90.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -75.5 | -9.5 | -174.6 | 31.8 | -38.7 | 0 | 0 | 0 | 114.4 | S146 F227 K422 | S146-P399 WeakPolarHBondContact O-CG 3.42Å; F227-P399 HydrophobicContact CE1-CB 3.82Å; F227-P399 HydrophobicContact CZ-CB 4.19Å; P399-K422 WeakPolarHBondContact O-CG 3.1Å |
| 400 | Y | 94.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -122.1 | 139.7 | -174.2 | -52.9 | -52.3 | 0 | 0 | 0 | 111.3 | F147 T149 F227 V398 Y446 E451 V452 P453 | F147-Y400 WeakPolarHBondContact CA-OH 3.25Å; F147-Y400 WeakPolarHBondContact CB-OH 3.44Å; F147-Y400 PolarHBondContact O-OH 3.18Å; T149-Y400 HydrophobicContact CG2-CE2 4.15Å; F227-Y400 HydrophobicContact CE2-CE1 4.49Å; F227-Y400 AromaticContact CZ-CE1 3.88Å; F227-Y400 HydrophobicContact CZ-CE1 3.88Å; F227-Y400 WeakPolarHBondContact CZ-OH 3.41Å; V398-Y400 PolarHBondContact O-N 3.42Å; Y400-Y446 HydrophobicContact CD2-CD1 4.4Å; Y400-Y446 HydrophobicContact CD2-CE1 4.02Å; Y400-Y446 HydrophobicContact CG-CD1 4.27Å; Y400-Y446 HydrophobicContact CG-CE1 4.32Å; Y400-E451 WeakPolarHBondContact CE1-O 3.33Å; Y400-V452 HydrophobicContact CD1-CG2 3.9Å; Y400-V452 HydrophobicContact CD2-CG1 4.48Å; Y400-V452 HydrophobicContact CE1-CB 4.45Å; Y400-V452 HydrophobicContact CE1-CG1 4.41Å; Y400-V452 HydrophobicContact CE1-CG2 4.28Å; Y400-V452 HydrophobicContact CE2-CG1 4.25Å; Y400-V452 HydrophobicContact CG-CG2 4.15Å; Y400-P453 WeakPolarHBondContact OH-CD 3.12Å |
| 401 | S | 94.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -69.9 | 145.9 | 166.5 | 39 | 0 | 0 | 0 | 0 | 111.3 | E418 F420 Y446 T447 | S401-E418 WeakPolarHBondContact CB-OE1 3.46Å; S401-F420 CarbonylContact C-O 3.58Å; S401-F420 VanDerWaalsContact CA-O 3.23Å; S401-F420 WeakPolarHBondContact CA-O 3.43Å; S401-Y446 WeakPolarHBondContact O-CA 3.12Å; S401-T447 WeakPolarHBondContact CB-OG1 3.39Å; S401-T447 PolarHBondContact O-N 2.88Å; S401-T447 WeakPolarHBondContact OG-CB 3.41Å | ||
| 402 | I | 95.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.6 | -178.4 | -57.4 | 176.3 | 0 | 0 | 0 | 108.6 | V419 F420 F445 Y446 I459 V484 F490 | I402-V419 HydrophobicContact CB-CG2 4.14Å; I402-V419 HydrophobicContact CG2-CG2 3.84Å; I402-V419 WeakPolarHBondContact O-CG2 3.35Å; I402-V419 PolarHBondContact O-N 3.4Å; I402-F420 HydrophobicContact CB-CB 4.41Å; I402-F420 HydrophobicContact CB-CD2 4.4Å; I402-F420 HydrophobicContact CD1-CD2 4.35Å; I402-F420 PolarHBondContact N-O 3.18Å; I402-F420 PolarHBondContact O-N 2.96Å; I402-F445 WeakPolarHBondContact CA-O 3.33Å; I402-Y446 HydrophobicContact CG1-CD1 4.31Å; I402-Y446 HydrophobicContact CG1-CE1 4.42Å; I402-I459 HydrophobicContact CB-CD1 4.48Å; I402-I459 HydrophobicContact CD1-CD1 3.97Å; I402-I459 HydrophobicContact CG1-CD1 3.97Å; I402-I459 HydrophobicContact CG2-CD1 3.78Å; I402-V484 HydrophobicContact CD1-CG2 4.3Å; I402-F490 HydrophobicContact CD1-CB 4.34Å; I402-F490 HydrophobicContact CD1-CD2 3.96Å; I402-F490 HydrophobicContact CD1-CG 4.48Å; I402-F490 HydrophobicContact CG2-CD2 4.04Å; I402-F490 HydrophobicContact CG2-CE2 4.02Å |
| 403 | T | 95.4 | Very high | 84.6 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.4 | 173.6 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | E416 C417 F445 T447 | T403-E416 HydrophobicContact CG2-CB 4.08Å; T403-C417 WeakPolarHBondContact CA-O 3.47Å; T403-F445 HydrophobicContact CG2-CE1 3.6Å; T403-F445 HydrophobicContact CG2-CE2 4.23Å; T403-F445 HydrophobicContact CG2-CZ 3.37Å; T403-F445 PolarHBondContact N-O 3.07Å; T403-F445 WeakPolarHBondContact O-CD1 3.34Å; T403-F445 PolarHBondContact O-N 2.93Å; T403-T447 PolarHBondContact N-OG1 2.85Å; T403-T447 WeakPolarHBondContact OG1-CG2 3.46Å; T403-T447 PolarHBondContact OG1-OG1 3.19Å |
| 404 | L | 95 | Very high | 83.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.5 | 164 | -71.6 | 179.8 | 0 | 0 | 0 | 110.4 | W406 E416 C417 V419 I432 L442 E443 A444 V482 F490 | L404-W406 HydrophobicContact CB-CE3 4.28Å; L404-W406 HydrophobicContact CB-CZ3 4.13Å; L404-W406 WeakPolarHBondContact O-CZ3 3.4Å; L404-E416 CarbonylContact O-C 3.58Å; L404-E416 VanDerWaalsContact O-CA 3.23Å; L404-E416 WeakPolarHBondContact O-CA 3.06Å; L404-C417 PolarHBondContact N-O 3.19Å; L404-C417 PolarHBondContact O-N 3.07Å; L404-V419 HydrophobicContact CB-CG1 4.33Å; L404-V419 HydrophobicContact CD1-CG1 3.65Å; L404-V419 HydrophobicContact CG-CG1 3.78Å; L404-V419 HydrophobicContact CG-CG2 4.11Å; L404-I432 HydrophobicContact CD1-CD1 3.56Å; L404-L442 HydrophobicContact CD1-CD1 4.41Å; L404-E443 CarbonylContact C-O 3.56Å; L404-E443 WeakPolarHBondContact CA-O 3.47Å; L404-A444 HydrophobicContact CD2-CB 3.74Å; L404-V482 HydrophobicContact CD1-CG1 3.91Å; L404-F490 HydrophobicContact CD2-CE1 4.45Å; L404-F490 HydrophobicContact CD2-CZ 3.92Å |
| 405 | R | 94.1 | Very high | 83.5 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.6 | 170.2 | 174.2 | -176.2 | -62.7 | 128.5 | 2.1 | 110.4 | T414 G415 E416 E443 F445 | R405-T414 HydrophobicContact CG-CG2 4.23Å; R405-G415 CarbonylContact C-O 3.5Å; R405-G415 WeakPolarHBondContact CA-O 3.39Å; R405-E416 HydrophobicContact CB-CG 4.12Å; R405-E416 HydrophobicContact CG-CG 4.24Å; R405-E416 IonicContact CZ-OE1 2.74Å; R405-E416 IonicContact NE-OE1 2.85Å; R405-E416 PolarHBondContact NE-OE1 3.08Å; R405-E416 IonicContact NH2-OE1 3.85Å; R405-E416 PolarHBondContact NH2-OE1 3.07Å; R405-E443 HydrophobicContact CB-CB 4.41Å; R405-E443 IonicContact CZ-OE2 2.67Å; R405-E443 PolarHBondContact N-O 2.81Å; R405-E443 IonicContact NH1-OE2 2.72Å; R405-E443 PolarHBondContact NH1-OE2 2.83Å; R405-E443 PolarHBondContact O-N 3.33Å; R405-F445 HydrophobicContact CB-CD1 4.43Å; R405-F445 HydrophobicContact CB-CE1 3.71Å; R405-F445 VanDerWaalsContact NH2-CZ 3.33Å |
| 406 | W | 92.3 | Very high | 83.3 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 17% | 0.17 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.4 | 173.2 | 61.3 | 90.4 | 0 | 0 | 0 | 111.4 | L404 T414 G415 C417 F434 L442 | L404-W406 HydrophobicContact CB-CE3 4.28Å; L404-W406 HydrophobicContact CB-CZ3 4.13Å; L404-W406 WeakPolarHBondContact O-CZ3 3.4Å; W406-T414 CarbonylContact O-C 3.59Å; W406-T414 WeakPolarHBondContact O-CA 3.43Å; W406-G415 PolarHBondContact N-O 3.49Å; W406-G415 PolarHBondContact O-N 2.84Å; W406-C417 HydrophobicContact CH2-CB 3.71Å; W406-C417 HydrophobicContact CZ3-CB 3.91Å; W406-F434 HydrophobicContact CD2-CD1 4.47Å; W406-F434 AromaticContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CZ 4.43Å; W406-F434 AromaticContact CE2-CE1 3.66Å; W406-F434 AromaticContact CE3-CE1 3.86Å; W406-F434 HydrophobicContact CE3-CE1 3.86Å; W406-F434 HydrophobicContact CE3-CZ 4.25Å; W406-F434 HydrophobicContact CG-CE1 4.19Å; W406-F434 HydrophobicContact CH2-CE1 4.13Å; W406-F434 AromaticContact CZ2-CE1 3.92Å; W406-F434 HydrophobicContact CZ2-CE1 3.92Å; W406-F434 HydrophobicContact CZ3-CE1 4.1Å; W406-F434 HydrophobicContact CZ3-CZ 4.42Å; W406-L442 HydrophobicContact CB-CD2 3.72Å; W406-L442 HydrophobicContact CD2-CD2 4.46Å; W406-L442 HydrophobicContact CE3-CD2 4.26Å; W406-L442 HydrophobicContact CG-CD2 4.27Å |
| 407 | K | 85.6 | Confident | 83.2 | Confident | 164 Ų | 164 | 60.6 Ų | 60.6 | 71% | 0.713 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131 | 171.6 | -62.6 | -178.3 | -178.9 | 179.2 | 0 | 109.7 | K436 | K407-K436 PolarHBondContact O-NZ 3.37Å |
| 408 | T | 76.5 | Confident | 83.2 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | trans | -75.2 | -167.8 | 171.6 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | E411 G413 K436 | T408-E411 PolarHBondContact OG1-O 2.75Å; T408-G413 WeakPolarHBondContact CB-O 3.44Å; T408-G413 VanDerWaalsContact CG2-O 3.27Å; T408-G413 WeakPolarHBondContact CG2-O 3.32Å; T408-G413 PolarHBondContact N-O 3.46Å; T408-G413 PolarHBondContact OG1-O 3.22Å; T408-K436 PolarHBondContact O-NZ 3.22Å | ||
| 409 | S | 65.3 | Low | 83.4 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 47% | 0.469 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -136.7 | 14.3 | -176.1 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | K436 | S409-K436 PolarHBondContact OG-NZ 2.77Š|
| 410 | F | 58.6 | Low | 83.6 | Confident | 199 Ų | 199 | 63.4 Ų | 63.4 | 87% | 0.873 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -130.2 | -14.2 | -172.4 | -71.3 | -77 | 0 | 0 | 0 | 114.1 | ||
| 411 | E | 51.9 | Low | 83.6 | Confident | 174 Ų | 174 | 65.7 Ų | 65.7 | 81% | 0.813 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -164.2 | 175.1 | 173.8 | -111.9 | 164.3 | -152.7 | 0 | 0 | 108 | T408 G413 | T408-E411 PolarHBondContact OG1-O 2.75Å; E411-G413 PolarHBondContact O-N 3.25Å |
| 412 | D | 58.3 | Low | 83.4 | Confident | 181 Ų | 181 | 69.1 Ų | 69.1 | 97% | 0.968 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -67.2 | 13.7 | 174.1 | -76.2 | -50.6 | 0 | 0 | 0 | 114.2 | ||
| 413 | G | 63.3 | Low | 83.3 | Confident | 37 Ų | 37 | 70 Ų | 70 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 138.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T408 E411 | T408-G413 WeakPolarHBondContact CB-O 3.44Å; T408-G413 VanDerWaalsContact CG2-O 3.27Å; T408-G413 WeakPolarHBondContact CG2-O 3.32Å; T408-G413 PolarHBondContact N-O 3.46Å; T408-G413 PolarHBondContact OG1-O 3.22Å; E411-G413 PolarHBondContact O-N 3.25Å |
| 414 | T | 78.8 | Confident | 83.2 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.2 | 164 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | R405 W406 | R405-T414 HydrophobicContact CG-CG2 4.23Å; W406-T414 CarbonylContact O-C 3.59Å; W406-T414 WeakPolarHBondContact O-CA 3.43Å |
| 415 | G | 86 | Confident | 83.2 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 13% | 0.134 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R405 W406 | R405-G415 CarbonylContact C-O 3.5Å; R405-G415 WeakPolarHBondContact CA-O 3.39Å; W406-G415 PolarHBondContact N-O 3.49Å; W406-G415 PolarHBondContact O-N 2.84Å |
| 416 | E | 92.3 | Very high | 83.1 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.9 | 177.4 | -62.6 | -164.2 | 179.2 | 0 | 0 | 111.9 | T403 L404 R405 | T403-E416 HydrophobicContact CG2-CB 4.08Å; L404-E416 CarbonylContact O-C 3.58Å; L404-E416 VanDerWaalsContact O-CA 3.23Å; L404-E416 WeakPolarHBondContact O-CA 3.06Å; R405-E416 HydrophobicContact CB-CG 4.12Å; R405-E416 HydrophobicContact CG-CG 4.24Å; R405-E416 IonicContact CZ-OE1 2.74Å; R405-E416 IonicContact NE-OE1 2.85Å; R405-E416 PolarHBondContact NE-OE1 3.08Å; R405-E416 IonicContact NH2-OE1 3.85Å; R405-E416 PolarHBondContact NH2-OE1 3.07Å |
| 417 | C | 92.8 | Very high | 83.3 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 126.2 | 172.4 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | T403 L404 W406 V419 | T403-C417 WeakPolarHBondContact CA-O 3.47Å; L404-C417 PolarHBondContact N-O 3.19Å; L404-C417 PolarHBondContact O-N 3.07Å; W406-C417 HydrophobicContact CH2-CB 3.71Å; W406-C417 HydrophobicContact CZ3-CB 3.91Å; C417-V419 PolarHBondContact O-N 3.21Å |
| 418 | E | 94.6 | Very high | 83.8 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 118.2 | 167 | -164.4 | -168.9 | -119.6 | 0 | 0 | 108.9 | S401 F420 C421 K430 | S401-E418 WeakPolarHBondContact CB-OE1 3.46Å; E418-F420 WeakPolarHBondContact CG-O 3.48Å; E418-C421 WeakPolarHBondContact OE2-CA 3.4Å; E418-C421 VanDerWaalsContact OE2-CB 3.3Å; E418-C421 WeakPolarHBondContact OE2-CB 3.4Å; E418-K430 PolarHBondContact O-NZ 2.66Å |
| 419 | V | 94.8 | Very high | 84.7 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -38.7 | -177.8 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | I402 L404 C417 K430 I432 V482 F490 | I402-V419 HydrophobicContact CB-CG2 4.14Å; I402-V419 HydrophobicContact CG2-CG2 3.84Å; I402-V419 WeakPolarHBondContact O-CG2 3.35Å; I402-V419 PolarHBondContact O-N 3.4Å; L404-V419 HydrophobicContact CB-CG1 4.33Å; L404-V419 HydrophobicContact CD1-CG1 3.65Å; L404-V419 HydrophobicContact CG-CG1 3.78Å; L404-V419 HydrophobicContact CG-CG2 4.11Å; C417-V419 PolarHBondContact O-N 3.21Å; V419-K430 HydrophobicContact CB-CD 4.27Å; V419-K430 WeakPolarHBondContact O-CD 3.43Å; V419-K430 PolarHBondContact O-NZ 2.95Å; V419-I432 HydrophobicContact CG1-CD1 3.53Å; V419-V482 HydrophobicContact CB-CG2 4.16Å; V419-V482 HydrophobicContact CG1-CG2 4.12Å; V419-F490 HydrophobicContact CG2-CE2 4.05Å |
| 420 | F | 95.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.8 | 175.6 | -59 | -74.8 | 0 | 0 | 0 | 108 | S401 I402 E418 H424 F428 V482 V484 F490 | S401-F420 CarbonylContact C-O 3.58Å; S401-F420 VanDerWaalsContact CA-O 3.23Å; S401-F420 WeakPolarHBondContact CA-O 3.43Å; I402-F420 HydrophobicContact CB-CB 4.41Å; I402-F420 HydrophobicContact CB-CD2 4.4Å; I402-F420 HydrophobicContact CD1-CD2 4.35Å; I402-F420 PolarHBondContact N-O 3.18Å; I402-F420 PolarHBondContact O-N 2.96Å; E418-F420 WeakPolarHBondContact CG-O 3.48Å; F420-H424 HydrophobicContact CB-CB 4.11Å; F420-H424 AromaticContact CD1-CE1 3.93Å; F420-H424 AromaticContact CD1-CG 3.85Å; F420-H424 AromaticContact CD1-ND1 3.75Å; F420-F428 HydrophobicContact CE1-CB 4.17Å; F420-F428 AromaticContact CE1-CD1 3.97Å; F420-F428 HydrophobicContact CE1-CD1 3.97Å; F420-V482 HydrophobicContact CE2-CG2 4.27Å; F420-V482 HydrophobicContact CZ-CG2 4.49Å; F420-V484 HydrophobicContact CD1-CG2 4.49Å; F420-V484 HydrophobicContact CD2-CG2 3.81Å; F420-V484 HydrophobicContact CE1-CG2 4.39Å; F420-V484 HydrophobicContact CE2-CG2 3.73Å; F420-V484 HydrophobicContact CG-CG2 4.22Å; F420-V484 HydrophobicContact CZ-CG2 4.04Å; F420-F490 HydrophobicContact CD2-CD2 4.17Å; F420-F490 HydrophobicContact CD2-CE2 4.12Å; F420-F490 AromaticContact CE2-CD2 3.91Å; F420-F490 HydrophobicContact CE2-CD2 3.91Å; F420-F490 AromaticContact CE2-CE2 3.74Å; F420-F490 HydrophobicContact CE2-CE2 3.74Å |
| 421 | C | 93.6 | Very high | 87.9 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | trans | -77.6 | 173.8 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | E418 H424 | E418-C421 WeakPolarHBondContact OE2-CA 3.4Å; E418-C421 VanDerWaalsContact OE2-CB 3.3Å; E418-C421 WeakPolarHBondContact OE2-CB 3.4Å; C421-H424 VanDerWaalsContact O-CB 3.27Å; C421-H424 WeakPolarHBondContact O-CB 3.4Å; C421-H424 PolarHBondContact O-N 2.66Å | ||
| 422 | K | 91.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 138.9 | 170.5 | -165.5 | 179.3 | -172.6 | 177.2 | 0 | 110.4 | P399 H424 E451 | P399-K422 WeakPolarHBondContact O-CG 3.1Å; K422-H424 PolarHBondContact O-N 3.2Å; K422-E451 IonicContact NZ-OE1 2.64Å; K422-E451 PolarHBondContact NZ-OE1 2.88Å; K422-E451 IonicContact NZ-OE2 2.67Å |
| 423 | N | 92.5 | Very high | 91.5 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 29.7 | -174.9 | -70.1 | -25.2 | 0 | 0 | 0 | 113.9 | Q327 L397 V398 | Q327-N423 PolarHBondContact OE1-ND2 2.99Å; L397-N423 HydrophobicContact CD1-CB 4.06Å; L397-N423 WeakPolarHBondContact CD2-O 3.31Å; V398-N423 WeakPolarHBondContact O-CA 3.5Å; V398-N423 PolarHBondContact O-N 2.82Å |
| 424 | H | 94.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.4 | 175.9 | -167.4 | -69.9 | 0 | 0 | 0 | 111.1 | L397 V398 F420 C421 K422 F428 | L397-H424 WeakPolarHBondContact CA-O 3.44Å; V398-H424 PolarHBondContact N-O 2.69Å; V398-H424 PolarHBondContact O-N 3.21Å; F420-H424 HydrophobicContact CB-CB 4.11Å; F420-H424 AromaticContact CD1-CE1 3.93Å; F420-H424 AromaticContact CD1-CG 3.85Å; F420-H424 AromaticContact CD1-ND1 3.75Å; C421-H424 VanDerWaalsContact O-CB 3.27Å; C421-H424 WeakPolarHBondContact O-CB 3.4Å; C421-H424 PolarHBondContact O-N 2.66Å; K422-H424 PolarHBondContact O-N 3.2Å; H424-F428 AromaticContact CE1-CD1 3.6Å; H424-F428 AromaticContact CE1-CD2 3.91Å; H424-F428 AromaticContact CE1-CG 3.49Å; H424-F428 VanDerWaalsContact CE1-CG 3.49Å; H424-F428 WeakPolarHBondContact CE1-CG 3.31Å |
| 425 | P | 94.9 | Very high | 93.4 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 141.5 | 174.1 | -29 | 36.7 | 0 | 0 | 0 | 114.2 | T395 D396 L397 F428 | T395-P425 HydrophobicContact CG2-CB 3.86Å; D396-P425 CarbonylContact O-C 3.5Å; D396-P425 WeakPolarHBondContact O-CA 3.17Å; L397-P425 HydrophobicContact CD2-CG 4.3Å; P425-F428 WeakPolarHBondContact O-CB 3.42Å |
| 426 | A | 93.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D396 V398 V484 | D396-A426 PolarHBondContact N-O 3.36Å; D396-A426 PolarHBondContact O-N 2.9Å; V398-A426 HydrophobicContact CG2-CB 3.88Å; A426-V484 HydrophobicContact CB-CG1 4.21Å |
| 427 | P | 94.7 | Very high | 93.3 | Very high | 61 Ų | 61 | 49.7 Ų | 49.7 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | S | Bend | cis | -74.6 | 146.3 | -3 | 33.3 | -38.2 | 0 | 0 | 0 | 112.8 | V484 I486 | P427-V484 WeakPolarHBondContact CA-O 3.31Å; P427-I486 HydrophobicContact CB-CG2 4.15Å; P427-I486 HydrophobicContact CG-CG2 3.96Å |
| 428 | F | 96.1 | Very high | 93.2 | Very high | 97 Ų | 97 | 53.4 Ų | 53.4 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.8 | 176.6 | -163.2 | -91.1 | 0 | 0 | 0 | 111.9 | F420 H424 P425 R483 V484 | F420-F428 HydrophobicContact CE1-CB 4.17Å; F420-F428 AromaticContact CE1-CD1 3.97Å; F420-F428 HydrophobicContact CE1-CD1 3.97Å; H424-F428 AromaticContact CE1-CD1 3.6Å; H424-F428 AromaticContact CE1-CD2 3.91Å; H424-F428 AromaticContact CE1-CG 3.49Å; H424-F428 VanDerWaalsContact CE1-CG 3.49Å; H424-F428 WeakPolarHBondContact CE1-CG 3.31Å; P425-F428 WeakPolarHBondContact O-CB 3.42Å; F428-R483 WeakPolarHBondContact O-CA 3.43Å; F428-R483 WeakPolarHBondContact O-CG 3.31Å; F428-V484 PolarHBondContact N-O 3.27Å; F428-V484 VanDerWaalsContact N-O 3.1Å; F428-V484 PolarHBondContact O-N 3.32Å; F428-V484 VanDerWaalsContact O-N 3.08Å |
| 429 | S | 96.4 | Very high | 93 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 131.6 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | V482 R483 | S429-V482 CarbonylContact C-O 3.5Å; S429-V482 VanDerWaalsContact CA-O 3.23Å; S429-V482 WeakPolarHBondContact CA-O 3.47Å; S429-R483 WeakPolarHBondContact OG-CB 3.39Å; S429-R483 WeakPolarHBondContact OG-CD 3.38Å; S429-R483 WeakPolarHBondContact OG-CG 3.48Å |
| 430 | K | 95.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.4 | 178.5 | -166.7 | 171.3 | -174.7 | 174.4 | 0 | 108.4 | E418 V419 V482 | E418-K430 PolarHBondContact O-NZ 2.66Å; V419-K430 HydrophobicContact CB-CD 4.27Å; V419-K430 WeakPolarHBondContact O-CD 3.43Å; V419-K430 PolarHBondContact O-NZ 2.95Å; K430-V482 HydrophobicContact CB-CG2 4.17Å; K430-V482 PolarHBondContact N-O 3Å; K430-V482 PolarHBondContact O-N 3.32Å |
| 431 | V | 95.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 58 Ų | 58 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.1 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | K479 V480 K481 | V431-K479 HydrophobicContact CG1-CB 4.17Å; V431-K479 HydrophobicContact CG1-CD 4.27Å; V431-K479 HydrophobicContact CG1-CG 4.26Å; V431-V480 WeakPolarHBondContact CA-O 3.49Å; V431-K481 HydrophobicContact CG2-CB 4.19Å; V431-K481 HydrophobicContact CG2-CG 4.09Å |
| 432 | I | 93.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.8 | -179.8 | -49.7 | 171.1 | 0 | 0 | 0 | 107.4 | L404 V419 F434 K479 V480 V482 | L404-I432 HydrophobicContact CD1-CD1 3.56Å; V419-I432 HydrophobicContact CG1-CD1 3.53Å; I432-F434 HydrophobicContact CB-CE2 3.89Å; I432-F434 HydrophobicContact CB-CZ 4.11Å; I432-F434 HydrophobicContact CG2-CD2 4.34Å; I432-F434 HydrophobicContact CG2-CE1 4Å; I432-F434 HydrophobicContact CG2-CE2 3.66Å; I432-F434 HydrophobicContact CG2-CZ 3.47Å; I432-F434 VanDerWaalsContact CG2-CZ 3.47Å; I432-K479 WeakPolarHBondContact O-CA 3.25Å; I432-V480 PolarHBondContact N-O 2.81Å; I432-V480 PolarHBondContact O-N 2.72Å; I432-V482 HydrophobicContact CD1-CG2 4.17Å |
| 433 | T | 93.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.4 | 179.8 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | K477 V478 | T433-K477 HydrophobicContact CG2-CD 4.29Å; T433-K477 VanDerWaalsContact CG2-CE 3.46Å; T433-K477 HydrophobicContact CG2-CG 3.79Å; T433-V478 WeakPolarHBondContact CA-O 3.24Å |
| 434 | F | 91.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 154.7 | 174.3 | -57.9 | -81.1 | 0 | 0 | 0 | 109.9 | W406 I432 K436 F440 L442 V478 V480 | W406-F434 HydrophobicContact CD2-CD1 4.47Å; W406-F434 AromaticContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CE1 3.64Å; W406-F434 HydrophobicContact CD2-CZ 4.43Å; W406-F434 AromaticContact CE2-CE1 3.66Å; W406-F434 AromaticContact CE3-CE1 3.86Å; W406-F434 HydrophobicContact CE3-CE1 3.86Å; W406-F434 HydrophobicContact CE3-CZ 4.25Å; W406-F434 HydrophobicContact CG-CE1 4.19Å; W406-F434 HydrophobicContact CH2-CE1 4.13Å; W406-F434 AromaticContact CZ2-CE1 3.92Å; W406-F434 HydrophobicContact CZ2-CE1 3.92Å; W406-F434 HydrophobicContact CZ3-CE1 4.1Å; W406-F434 HydrophobicContact CZ3-CZ 4.42Å; I432-F434 HydrophobicContact CB-CE2 3.89Å; I432-F434 HydrophobicContact CB-CZ 4.11Å; I432-F434 HydrophobicContact CG2-CD2 4.34Å; I432-F434 HydrophobicContact CG2-CE1 4Å; I432-F434 HydrophobicContact CG2-CE2 3.66Å; I432-F434 HydrophobicContact CG2-CZ 3.47Å; I432-F434 VanDerWaalsContact CG2-CZ 3.47Å; F434-K436 HydrophobicContact CB-CG 4.47Å; F434-F440 HydrophobicContact CB-CE2 4.35Å; F434-F440 HydrophobicContact CB-CZ 4Å; F434-F440 HydrophobicContact CD1-CE2 4.37Å; F434-F440 AromaticContact CD2-CE2 3.94Å; F434-F440 HydrophobicContact CD2-CE2 3.94Å; F434-F440 AromaticContact CD2-CZ 3.86Å; F434-F440 HydrophobicContact CD2-CZ 3.86Å; F434-F440 HydrophobicContact CE2-CE2 4.32Å; F434-F440 AromaticContact CG-CE2 3.96Å; F434-F440 HydrophobicContact CG-CE2 3.96Å; F434-F440 AromaticContact CG-CZ 3.98Å; F434-F440 HydrophobicContact CG-CZ 3.98Å; F434-L442 HydrophobicContact CE1-CD2 4.2Å; F434-L442 HydrophobicContact CE2-CD1 4.16Å; F434-L442 HydrophobicContact CE2-CD2 4.25Å; F434-L442 HydrophobicContact CZ-CD1 4.31Å; F434-L442 HydrophobicContact CZ-CD2 3.78Å; F434-V478 PolarHBondContact N-O 3.07Å; F434-V478 PolarHBondContact O-N 3.18Å; F434-V480 HydrophobicContact CD2-CB 4.2Å; F434-V480 HydrophobicContact CD2-CG2 3.71Å; F434-V480 HydrophobicContact CE2-CB 3.91Å; F434-V480 HydrophobicContact CE2-CG2 3.81Å |
| 435 | H | 90.4 | Very high | 93.3 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 112.3 | 170.8 | -60.3 | 102.4 | 0 | 0 | 0 | 107 | S476 | H435-S476 WeakPolarHBondContact CA-O 3.43Å |
| 436 | K | 88.5 | Confident | 93.3 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.2 | -170.4 | -77.3 | -68.1 | -173.8 | 177.1 | 0 | 111.3 | K407 T408 S409 F434 F440 V467 S476 | K407-K436 PolarHBondContact O-NZ 3.37Å; T408-K436 PolarHBondContact O-NZ 3.22Å; S409-K436 PolarHBondContact OG-NZ 2.77Å; F434-K436 HydrophobicContact CB-CG 4.47Å; K436-F440 HydrophobicContact CB-CD1 4.06Å; K436-F440 HydrophobicContact CB-CE1 4.25Å; K436-F440 HydrophobicContact CD-CB 4.43Å; K436-F440 HydrophobicContact CD-CD1 4.49Å; K436-F440 HydrophobicContact CD-CG 4.42Å; K436-F440 HydrophobicContact CG-CD1 3.73Å; K436-F440 HydrophobicContact CG-CE1 3.98Å; K436-F440 HydrophobicContact CG-CG 4.03Å; K436-F440 HydrophobicContact CG-CZ 4.48Å; K436-V467 HydrophobicContact CB-CG1 4.08Å; K436-S476 PolarHBondContact N-O 2.94Å; K436-S476 WeakPolarHBondContact O-CB 3.42Å; K436-S476 PolarHBondContact O-N 2.9Å |
| 437 | K | 87.5 | Confident | 93.2 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 45% | 0.452 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -99.4 | -13.1 | 177 | -64.4 | -167.8 | -177.2 | -151.9 | 0 | 113.2 | F468 P469 G473 D474 | K437-F468 CarbonylContact O-C 3.52Å; K437-P469 HydrophobicContact CB-CB 4.48Å; K437-P469 HydrophobicContact CG-CB 4.46Å; K437-P469 VanDerWaalsContact O-CD 3.29Å; K437-P469 WeakPolarHBondContact O-CD 3.45Å; K437-G473 PolarHBondContact NZ-O 3.31Å; K437-D474 IonicContact NZ-OD1 3.34Å; K437-D474 PolarHBondContact NZ-OD1 2.97Å |
| 438 | E | 90 | Very high | 92.9 | Very high | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -146 | 165.2 | -171 | 68.3 | -169.2 | 150.5 | 0 | 0 | 111.1 | V467 | E438-V467 WeakPolarHBondContact CA-O 3.43Å; E438-V467 WeakPolarHBondContact O-CB 3.4Å; E438-V467 WeakPolarHBondContact O-CG1 3.37Å |
| 439 | P | 91.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | trans | -55.3 | 143 | 173.7 | -27.3 | 37.9 | 0 | 0 | 0 | 112.6 | I464 V467 | P439-I464 WeakPolarHBondContact CA-O 3.43Å; P439-I464 WeakPolarHBondContact CB-O 3.38Å; P439-V467 WeakPolarHBondContact CD-O 3.3Å | ||
| 440 | F | 92.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.8 | -174.9 | 68.5 | -78.2 | 0 | 0 | 0 | 113 | F434 K436 L442 T463 I464 V467 V478 V480 | F434-F440 HydrophobicContact CB-CE2 4.35Å; F434-F440 HydrophobicContact CB-CZ 4Å; F434-F440 HydrophobicContact CD1-CE2 4.37Å; F434-F440 AromaticContact CD2-CE2 3.94Å; F434-F440 HydrophobicContact CD2-CE2 3.94Å; F434-F440 AromaticContact CD2-CZ 3.86Å; F434-F440 HydrophobicContact CD2-CZ 3.86Å; F434-F440 HydrophobicContact CE2-CE2 4.32Å; F434-F440 AromaticContact CG-CE2 3.96Å; F434-F440 HydrophobicContact CG-CE2 3.96Å; F434-F440 AromaticContact CG-CZ 3.98Å; F434-F440 HydrophobicContact CG-CZ 3.98Å; K436-F440 HydrophobicContact CB-CD1 4.06Å; K436-F440 HydrophobicContact CB-CE1 4.25Å; K436-F440 HydrophobicContact CD-CB 4.43Å; K436-F440 HydrophobicContact CD-CD1 4.49Å; K436-F440 HydrophobicContact CD-CG 4.42Å; K436-F440 HydrophobicContact CG-CD1 3.73Å; K436-F440 HydrophobicContact CG-CE1 3.98Å; K436-F440 HydrophobicContact CG-CG 4.03Å; K436-F440 HydrophobicContact CG-CZ 4.48Å; F440-L442 HydrophobicContact CD2-CD2 4.05Å; F440-L442 HydrophobicContact CD2-CG 4.39Å; F440-L442 HydrophobicContact CE2-CD1 4.5Å; F440-L442 HydrophobicContact CE2-CD2 3.78Å; F440-L442 HydrophobicContact CE2-CG 4.08Å; F440-T463 WeakPolarHBondContact O-CA 3.47Å; F440-I464 HydrophobicContact CD1-CB 4.33Å; F440-I464 HydrophobicContact CD2-CD1 4.37Å; F440-I464 HydrophobicContact CE1-CB 4.02Å; F440-I464 HydrophobicContact CE1-CG1 4.37Å; F440-I464 HydrophobicContact CE1-CG2 4.29Å; F440-I464 HydrophobicContact CE2-CD1 3.97Å; F440-I464 HydrophobicContact CZ-CB 4.33Å; F440-I464 HydrophobicContact CZ-CD1 4.07Å; F440-I464 HydrophobicContact CZ-CG1 4.17Å; F440-I464 PolarHBondContact N-O 3.07Å; F440-I464 PolarHBondContact O-N 3.4Å; F440-V467 HydrophobicContact CD1-CG2 4.22Å; F440-V467 HydrophobicContact CE1-CG2 4.1Å; F440-V478 HydrophobicContact CE1-CB 4.4Å; F440-V478 HydrophobicContact CE1-CG1 4.23Å; F440-V478 HydrophobicContact CE1-CG2 4.43Å; F440-V478 HydrophobicContact CZ-CG1 4.29Å; F440-V480 HydrophobicContact CZ-CG2 4.22Å |
| 441 | E | 93.9 | Very high | 91 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.3 | 179.8 | -173.3 | 173.6 | -149.8 | 0 | 0 | 111 | S461 F462 | E441-S461 WeakPolarHBondContact OE1-CB 3.45Å; E441-S461 PolarHBondContact OE1-OG 3.11Å; E441-F462 WeakPolarHBondContact CA-O 3.32Å |
| 442 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.2 | 167.9 | -61.6 | -179.2 | 0 | 0 | 0 | 108.8 | L404 W406 F434 F440 S461 F462 I464 V480 | L404-L442 HydrophobicContact CD1-CD1 4.41Å; W406-L442 HydrophobicContact CB-CD2 3.72Å; W406-L442 HydrophobicContact CD2-CD2 4.46Å; W406-L442 HydrophobicContact CE3-CD2 4.26Å; W406-L442 HydrophobicContact CG-CD2 4.27Å; F434-L442 HydrophobicContact CE1-CD2 4.2Å; F434-L442 HydrophobicContact CE2-CD1 4.16Å; F434-L442 HydrophobicContact CE2-CD2 4.25Å; F434-L442 HydrophobicContact CZ-CD1 4.31Å; F434-L442 HydrophobicContact CZ-CD2 3.78Å; F440-L442 HydrophobicContact CD2-CD2 4.05Å; F440-L442 HydrophobicContact CD2-CG 4.39Å; F440-L442 HydrophobicContact CE2-CD1 4.5Å; F440-L442 HydrophobicContact CE2-CD2 3.78Å; F440-L442 HydrophobicContact CE2-CG 4.08Å; L442-S461 CarbonylContact O-C 3.56Å; L442-S461 VanDerWaalsContact O-CA 3.25Å; L442-S461 WeakPolarHBondContact O-CA 3.34Å; L442-F462 HydrophobicContact CB-CB 4.48Å; L442-F462 PolarHBondContact N-O 3.39Å; L442-F462 PolarHBondContact O-N 3.25Å; L442-I464 HydrophobicContact CD1-CD1 3.81Å; L442-I464 HydrophobicContact CG-CD1 3.82Å; L442-V480 HydrophobicContact CD1-CG1 3.97Å |
| 443 | E | 95.2 | Very high | 90.1 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.4 | 169.1 | -178.6 | 177.6 | -128.9 | 0 | 0 | 109.3 | L404 R405 R458 | L404-E443 CarbonylContact C-O 3.56Å; L404-E443 WeakPolarHBondContact CA-O 3.47Å; R405-E443 HydrophobicContact CB-CB 4.41Å; R405-E443 IonicContact CZ-OE2 2.67Å; R405-E443 PolarHBondContact N-O 2.81Å; R405-E443 IonicContact NH1-OE2 2.72Å; R405-E443 PolarHBondContact NH1-OE2 2.83Å; R405-E443 PolarHBondContact O-N 3.33Å; E443-R458 IonicContact OE1-CZ 3.17Å; E443-R458 IonicContact OE1-NE 2.73Å; E443-R458 PolarHBondContact OE1-NE 3.01Å; E443-R458 IonicContact OE1-NH2 2.7Å; E443-R458 PolarHBondContact OE1-NH2 2.81Å |
| 444 | A | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L404 I459 G460 F462 F490 | L404-A444 HydrophobicContact CD2-CB 3.74Å; A444-I459 HydrophobicContact CB-CB 4.19Å; A444-I459 WeakPolarHBondContact O-CB 3.4Å; A444-I459 PolarHBondContact O-N 3.35Å; A444-G460 PolarHBondContact N-O 3.06Å; A444-G460 PolarHBondContact O-N 3.08Å; A444-F462 HydrophobicContact CB-CE2 3.91Å; A444-F490 HydrophobicContact CB-CD1 4.09Å; A444-F490 HydrophobicContact CB-CE1 3.67Å; A444-F490 HydrophobicContact CB-CZ 4.14Å |
| 445 | F | 95.3 | Very high | 89.2 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.8 | -177.1 | 64.9 | -75.7 | 0 | 0 | 0 | 112 | I402 T403 R405 A457 | I402-F445 WeakPolarHBondContact CA-O 3.33Å; T403-F445 HydrophobicContact CG2-CE1 3.6Å; T403-F445 HydrophobicContact CG2-CE2 4.23Å; T403-F445 HydrophobicContact CG2-CZ 3.37Å; T403-F445 PolarHBondContact N-O 3.07Å; T403-F445 WeakPolarHBondContact O-CD1 3.34Å; T403-F445 PolarHBondContact O-N 2.93Å; R405-F445 HydrophobicContact CB-CD1 4.43Å; R405-F445 HydrophobicContact CB-CE1 3.71Å; R405-F445 VanDerWaalsContact NH2-CZ 3.33Å; F445-A457 CarbonylContact C-O 3.57Å; F445-A457 WeakPolarHBondContact CA-O 3.41Å; F445-A457 HydrophobicContact CB-CB 4.44Å; F445-A457 VanDerWaalsContact CB-O 3.31Å; F445-A457 WeakPolarHBondContact CB-O 3.37Å |
| 446 | Y | 95.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.3 | 171.7 | -59.5 | -64.1 | 0 | 0 | 0 | 110.6 | T149 D150 Y400 S401 I402 N448 V452 A457 I459 | T149-Y446 HydrophobicContact CG2-CE2 4.28Å; D150-Y446 VanDerWaalsContact CB-OH 3.32Å; D150-Y446 WeakPolarHBondContact CB-OH 3.23Å; D150-Y446 PolarHBondContact N-OH 2.67Å; Y400-Y446 HydrophobicContact CD2-CD1 4.4Å; Y400-Y446 HydrophobicContact CD2-CE1 4.02Å; Y400-Y446 HydrophobicContact CG-CD1 4.27Å; Y400-Y446 HydrophobicContact CG-CE1 4.32Å; S401-Y446 WeakPolarHBondContact O-CA 3.12Å; I402-Y446 HydrophobicContact CG1-CD1 4.31Å; I402-Y446 HydrophobicContact CG1-CE1 4.42Å; Y446-N448 PolarHBondContact O-N 3.47Å; Y446-V452 HydrophobicContact CD1-CG2 4.43Å; Y446-V452 HydrophobicContact CD2-CG1 4.2Å; Y446-V452 HydrophobicContact CD2-CG2 4.15Å; Y446-V452 HydrophobicContact CE2-CG1 4.37Å; Y446-V452 HydrophobicContact CG-CG2 3.86Å; Y446-A457 WeakPolarHBondContact CD2-O 3.12Å; Y446-A457 PolarHBondContact N-O 2.75Å; Y446-I459 HydrophobicContact CD1-CD1 4.11Å; Y446-I459 HydrophobicContact CD1-CG1 4.5Å; Y446-I459 HydrophobicContact CD2-CG1 4.33Å; Y446-I459 HydrophobicContact CE1-CD1 3.76Å; Y446-I459 HydrophobicContact CE1-CG1 4.07Å; Y446-I459 HydrophobicContact CE2-CD1 4.48Å; Y446-I459 HydrophobicContact CE2-CG1 3.89Å |
| 447 | T | 91.8 | Very high | 88.9 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 31% | 0.307 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -67 | -40.6 | -172 | -41.7 | 0 | 0 | 0 | 0 | 112.3 | S401 T403 | S401-T447 WeakPolarHBondContact CB-OG1 3.39Å; S401-T447 PolarHBondContact O-N 2.88Å; S401-T447 WeakPolarHBondContact OG-CB 3.41Å; T403-T447 PolarHBondContact N-OG1 2.85Å; T403-T447 WeakPolarHBondContact OG1-CG2 3.46Å; T403-T447 PolarHBondContact OG1-OG1 3.19Å |
| 448 | N | 87.6 | Confident | 89.1 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | trans | -117.4 | 91.3 | -176.3 | -62.5 | -27 | 0 | 0 | 0 | 111.3 | Y446 H450 E451 | Y446-N448 PolarHBondContact O-N 3.47Å; N448-H450 PolarHBondContact O-N 3.37Å; N448-H450 VanDerWaalsContact O-N 3.16Å; N448-E451 HydrophobicContact CB-CB 4.22Å; N448-E451 HydrophobicContact CB-CG 3.8Å; N448-E451 PolarHBondContact ND2-OE2 3.03Å; N448-E451 PolarHBondContact O-N 2.94Å | ||
| 449 | L | 83.8 | Confident | 89.3 | Confident | 78 Ų | 78 | 49 Ų | 49 | 41% | 0.408 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -57.2 | -33.5 | -177.9 | -176.8 | 58.5 | 0 | 0 | 0 | 113.4 | E451 V452 Y454 A457 | L449-E451 PolarHBondContact O-N 3.47Å; L449-V452 PolarHBondContact O-N 3.17Å; L449-V452 VanDerWaalsContact O-N 3.17Å; L449-Y454 WeakPolarHBondContact CD1-O 3.46Å; L449-A457 HydrophobicContact CD1-CB 4.19Å |
| 450 | H | 82.6 | Confident | 89.4 | Confident | 197 Ų | 197 | 45.8 Ų | 45.8 | 91% | 0.912 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -64.5 | -17.9 | 177 | -64.1 | -61.2 | 0 | 0 | 0 | 114.6 | N448 | N448-H450 PolarHBondContact O-N 3.37Å; N448-H450 VanDerWaalsContact O-N 3.16Å |
| 451 | E | 82.5 | Confident | 89.5 | Confident | 74 Ų | 74 | 45.9 Ų | 45.9 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -92.5 | -10.3 | 177.9 | -57.5 | -165.2 | 119.2 | 0 | 0 | 112.9 | Y400 K422 N448 L449 | Y400-E451 WeakPolarHBondContact CE1-O 3.33Å; K422-E451 IonicContact NZ-OE1 2.64Å; K422-E451 PolarHBondContact NZ-OE1 2.88Å; K422-E451 IonicContact NZ-OE2 2.67Å; N448-E451 HydrophobicContact CB-CB 4.22Å; N448-E451 HydrophobicContact CB-CG 3.8Å; N448-E451 PolarHBondContact ND2-OE2 3.03Å; N448-E451 PolarHBondContact O-N 2.94Å; L449-E451 PolarHBondContact O-N 3.47Å |
| 452 | V | 87 | Confident | 89.5 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -101.6 | 127.8 | -177.7 | -166.6 | 0 | 0 | 0 | 0 | 109.7 | T149 Y400 Y446 L449 Y454 | T149-V452 HydrophobicContact CG2-CG1 3.61Å; Y400-V452 HydrophobicContact CD1-CG2 3.9Å; Y400-V452 HydrophobicContact CD2-CG1 4.48Å; Y400-V452 HydrophobicContact CE1-CB 4.45Å; Y400-V452 HydrophobicContact CE1-CG1 4.41Å; Y400-V452 HydrophobicContact CE1-CG2 4.28Å; Y400-V452 HydrophobicContact CE2-CG1 4.25Å; Y400-V452 HydrophobicContact CG-CG2 4.15Å; Y446-V452 HydrophobicContact CD1-CG2 4.43Å; Y446-V452 HydrophobicContact CD2-CG1 4.2Å; Y446-V452 HydrophobicContact CD2-CG2 4.15Å; Y446-V452 HydrophobicContact CE2-CG1 4.37Å; Y446-V452 HydrophobicContact CG-CG2 3.86Å; L449-V452 PolarHBondContact O-N 3.17Å; L449-V452 VanDerWaalsContact O-N 3.17Å; V452-Y454 PolarHBondContact O-N 3.33Å |
| 453 | P | 83.1 | Confident | 89.6 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.3 | 39.8 | 177.2 | 34.6 | -35.9 | 0 | 0 | 0 | 112.2 | R73 F147 P229 Y400 | R73-P453 PolarHBondContact NH1-O 3.46Å; R73-P453 PolarHBondContact NH2-O 2.97Å; F147-P453 HydrophobicContact CD2-CG 4.35Å; P229-P453 HydrophobicContact CG-CB 3.83Å; P229-P453 HydrophobicContact CG-CG 4.31Å; Y400-P453 WeakPolarHBondContact OH-CD 3.12Å |
| 454 | Y | 82.3 | Confident | 89.5 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -149.3 | 131.6 | -171.2 | -165.1 | -86.9 | 0 | 0 | 0 | 109.3 | G72 R73 T149 E152 L449 V452 D456 | G72-Y454 PolarHBondContact O-OH 3.39Å; R73-Y454 HydrophobicContact CB-CE2 4.37Å; R73-Y454 HydrophobicContact CG-CD2 3.98Å; R73-Y454 HydrophobicContact CG-CE2 3.46Å; R73-Y454 VanDerWaalsContact CG-CE2 3.46Å; T149-Y454 HydrophobicContact CG2-CD2 4.3Å; T149-Y454 HydrophobicContact CG2-CG 4.06Å; E152-Y454 HydrophobicContact CG-CE2 4.47Å; L449-Y454 WeakPolarHBondContact CD1-O 3.46Å; V452-Y454 PolarHBondContact O-N 3.33Å; Y454-D456 HydrophobicContact CD1-CB 4.24Å; Y454-D456 WeakPolarHBondContact CD1-O 3.07Å; Y454-D456 HydrophobicContact CE1-CB 3.91Å; Y454-D456 PolarHBondContact O-N 3.14Å |
| 455 | P | 82.6 | Confident | 89.4 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 41% | 0.409 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -79.6 | -17.3 | -165.4 | 30.7 | -37.3 | 0 | 0 | 0 | 115.4 | D77 | D77-P455 HydrophobicContact CB-CG 4.09Å; D77-P455 VanDerWaalsContact OD2-CD 3.32Å; D77-P455 WeakPolarHBondContact OD2-CD 3.48Å |
| 456 | D | 84.4 | Confident | 89.2 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | trans | -98.5 | 124.6 | 175.4 | -169.2 | -4 | 0 | 0 | 0 | 110.1 | Y454 R458 C590 | Y454-D456 HydrophobicContact CD1-CB 4.24Å; Y454-D456 WeakPolarHBondContact CD1-O 3.07Å; Y454-D456 HydrophobicContact CE1-CB 3.91Å; Y454-D456 PolarHBondContact O-N 3.14Å; D456-R458 VanDerWaalsContact C-N 3.28Å; D456-R458 VanDerWaalsContact OD1-CB 3.29Å; D456-R458 WeakPolarHBondContact OD1-CB 3.47Å; D456-R458 PolarHBondContact OD1-N 2.98Å; D456-C590 PolarHBondContact OD2-SG 2.63Å | ||
| 457 | A | 87.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 21% | 0.207 | 24% | 0.244 | C | C | . | . | trans | -72.5 | -22.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F445 Y446 L449 | F445-A457 CarbonylContact C-O 3.57Å; F445-A457 WeakPolarHBondContact CA-O 3.41Å; F445-A457 HydrophobicContact CB-CB 4.44Å; F445-A457 VanDerWaalsContact CB-O 3.31Å; F445-A457 WeakPolarHBondContact CB-O 3.37Å; Y446-A457 WeakPolarHBondContact CD2-O 3.12Å; Y446-A457 PolarHBondContact N-O 2.75Å; L449-A457 HydrophobicContact CD1-CB 4.19Å | ||
| 458 | R | 91.6 | Very high | 88.4 | Confident | 121 Ų | 121 | 51.2 Ų | 51.2 | 46% | 0.457 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.3 | -171.1 | -176 | -179.8 | -70.5 | 130 | -2.9 | 112.3 | E443 D456 C590 | E443-R458 IonicContact OE1-CZ 3.17Å; E443-R458 IonicContact OE1-NE 2.73Å; E443-R458 PolarHBondContact OE1-NE 3.01Å; E443-R458 IonicContact OE1-NH2 2.7Å; E443-R458 PolarHBondContact OE1-NH2 2.81Å; D456-R458 VanDerWaalsContact C-N 3.28Å; D456-R458 VanDerWaalsContact OD1-CB 3.29Å; D456-R458 WeakPolarHBondContact OD1-CB 3.47Å; D456-R458 PolarHBondContact OD1-N 2.98Å; R458-C590 WeakPolarHBondContact O-CB 3.38Å |
| 459 | I | 94 | Very high | 88.2 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -44.9 | 169 | -61.4 | 170.6 | 0 | 0 | 0 | 109.5 | D150 I402 A444 Y446 F490 C590 | D150-I459 HydrophobicContact CB-CG2 4.04Å; D150-I459 WeakPolarHBondContact OD1-CG2 3.46Å; I402-I459 HydrophobicContact CB-CD1 4.48Å; I402-I459 HydrophobicContact CD1-CD1 3.97Å; I402-I459 HydrophobicContact CG1-CD1 3.97Å; I402-I459 HydrophobicContact CG2-CD1 3.78Å; A444-I459 HydrophobicContact CB-CB 4.19Å; A444-I459 WeakPolarHBondContact O-CB 3.4Å; A444-I459 PolarHBondContact O-N 3.35Å; Y446-I459 HydrophobicContact CD1-CD1 4.11Å; Y446-I459 HydrophobicContact CD1-CG1 4.5Å; Y446-I459 HydrophobicContact CD2-CG1 4.33Å; Y446-I459 HydrophobicContact CE1-CD1 3.76Å; Y446-I459 HydrophobicContact CE1-CG1 4.07Å; Y446-I459 HydrophobicContact CE2-CD1 4.48Å; Y446-I459 HydrophobicContact CE2-CG1 3.89Å; I459-F490 HydrophobicContact CG2-CB 4.23Å; I459-F490 HydrophobicContact CG2-CD1 4.34Å; I459-C590 WeakPolarHBondContact O-CB 3.32Å; I459-C590 PolarHBondContact O-N 3.21Å |
| 460 | G | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A444 S588 | A444-G460 PolarHBondContact N-O 3.06Å; A444-G460 PolarHBondContact O-N 3.08Å; G460-S588 CarbonylContact C-O 3.55Å; G460-S588 WeakPolarHBondContact CA-O 3.36Å |
| 461 | S | 94.5 | Very high | 87.7 | Confident | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155.1 | 170.6 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | E441 L442 S588 | E441-S461 WeakPolarHBondContact OE1-CB 3.45Å; E441-S461 PolarHBondContact OE1-OG 3.11Å; L442-S461 CarbonylContact O-C 3.56Å; L442-S461 VanDerWaalsContact O-CA 3.25Å; L442-S461 WeakPolarHBondContact O-CA 3.34Å; S461-S588 PolarHBondContact N-O 3.5Å; S461-S588 PolarHBondContact O-N 2.86Å |
| 462 | F | 95.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 112.1 | -173.5 | -56.3 | -95.1 | 0 | 0 | 0 | 109.3 | E441 L442 A444 F490 V492 I585 Q586 S587 L589 | E441-F462 WeakPolarHBondContact CA-O 3.32Å; L442-F462 HydrophobicContact CB-CB 4.48Å; L442-F462 PolarHBondContact N-O 3.39Å; L442-F462 PolarHBondContact O-N 3.25Å; A444-F462 HydrophobicContact CB-CE2 3.91Å; F462-F490 HydrophobicContact CD2-CE1 4.43Å; F462-F490 AromaticContact CE2-CD1 3.98Å; F462-F490 HydrophobicContact CE2-CD1 3.98Å; F462-F490 AromaticContact CE2-CE1 3.6Å; F462-F490 HydrophobicContact CE2-CE1 3.6Å; F462-F490 AromaticContact CZ-CD1 3.83Å; F462-F490 HydrophobicContact CZ-CD1 3.83Å; F462-F490 AromaticContact CZ-CE1 3.8Å; F462-F490 HydrophobicContact CZ-CE1 3.8Å; F462-V492 HydrophobicContact CB-CB 4.41Å; F462-V492 HydrophobicContact CB-CG2 3.67Å; F462-V492 HydrophobicContact CD1-CB 3.91Å; F462-V492 HydrophobicContact CD1-CG2 3.58Å; F462-V492 HydrophobicContact CD2-CG2 3.82Å; F462-V492 HydrophobicContact CE1-CB 4.41Å; F462-V492 HydrophobicContact CE1-CG2 4.12Å; F462-V492 HydrophobicContact CE2-CG2 4.34Å; F462-V492 HydrophobicContact CG-CB 4.2Å; F462-V492 HydrophobicContact CG-CG2 3.4Å; F462-V492 HydrophobicContact CZ-CG2 4.46Å; F462-I585 HydrophobicContact CB-CG2 4.24Å; F462-I585 HydrophobicContact CD1-CG2 4.36Å; F462-Q586 CarbonylContact C-O 3.55Å; F462-Q586 WeakPolarHBondContact CA-O 3.34Å; F462-S587 WeakPolarHBondContact CD1-OG 3.01Å; F462-L589 HydrophobicContact CE1-CD2 4.05Å; F462-L589 HydrophobicContact CE2-CD2 4.47Å; F462-L589 HydrophobicContact CZ-CD2 3.65Å |
| 463 | T | 95.3 | Very high | 86.8 | Confident | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.7 | 179.6 | -57 | 0 | 0 | 0 | 0 | 109.7 | F440 Q465 I585 Q586 | F440-T463 WeakPolarHBondContact O-CA 3.47Å; T463-Q465 HydrophobicContact CG2-CG 4.35Å; T463-Q465 PolarHBondContact O-N 3.07Å; T463-I585 WeakPolarHBondContact O-CA 3.41Å; T463-Q586 PolarHBondContact N-O 3.5Å; T463-Q586 PolarHBondContact O-N 2.87Å |
| 464 | I | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 112.7 | 173.1 | -60.5 | 75.5 | 0 | 0 | 0 | 107.3 | P439 F440 L442 V467 V478 V480 A495 L583 | P439-I464 WeakPolarHBondContact CA-O 3.43Å; P439-I464 WeakPolarHBondContact CB-O 3.38Å; F440-I464 HydrophobicContact CD1-CB 4.33Å; F440-I464 HydrophobicContact CD2-CD1 4.37Å; F440-I464 HydrophobicContact CE1-CB 4.02Å; F440-I464 HydrophobicContact CE1-CG1 4.37Å; F440-I464 HydrophobicContact CE1-CG2 4.29Å; F440-I464 HydrophobicContact CE2-CD1 3.97Å; F440-I464 HydrophobicContact CZ-CB 4.33Å; F440-I464 HydrophobicContact CZ-CD1 4.07Å; F440-I464 HydrophobicContact CZ-CG1 4.17Å; F440-I464 PolarHBondContact N-O 3.07Å; F440-I464 PolarHBondContact O-N 3.4Å; L442-I464 HydrophobicContact CD1-CD1 3.81Å; L442-I464 HydrophobicContact CG-CD1 3.82Å; I464-V467 HydrophobicContact CG2-CG2 3.81Å; I464-V478 HydrophobicContact CG2-CG1 4.5Å; I464-V480 HydrophobicContact CG1-CG2 4.25Å; I464-A495 HydrophobicContact CG1-CB 3.97Å; I464-A495 HydrophobicContact CG2-CB 3.82Å; I464-L583 HydrophobicContact CG2-CB 3.91Å; I464-L583 HydrophobicContact CG2-CD1 3.67Å; I464-L583 HydrophobicContact CG2-CG 4.47Å |
| 465 | Q | 92.8 | Very high | 86.8 | Confident | 65 Ų | 65 | 54 Ų | 54 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | trans | -90.7 | 170.1 | -177.3 | -61.3 | -179.6 | -13.6 | 0 | 0 | 111.7 | T463 V467 P584 | T463-Q465 HydrophobicContact CG2-CG 4.35Å; T463-Q465 PolarHBondContact O-N 3.07Å; Q465-V467 PolarHBondContact O-N 2.93Å; Q465-V467 VanDerWaalsContact O-N 3.12Å; Q465-P584 HydrophobicContact CB-CB 4.24Å; Q465-P584 PolarHBondContact N-O 2.95Å | ||
| 466 | N | 90.2 | Very high | 87 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | trans | 55.5 | 28.8 | 174.1 | -58.1 | -6.6 | 0 | 0 | 0 | 115.1 | F468 | N466-F468 HydrophobicContact CB-CE2 4.02Å; N466-F468 VanDerWaalsContact O-CD2 3.24Å; N466-F468 WeakPolarHBondContact O-CD2 3.48Å; N466-F468 WeakPolarHBondContact O-CE2 3.19Å | ||
| 467 | V | 86.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | trans | -81.8 | 121.9 | 168.2 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | K436 E438 P439 F440 I464 Q465 V478 L583 | K436-V467 HydrophobicContact CB-CG1 4.08Å; E438-V467 WeakPolarHBondContact CA-O 3.43Å; E438-V467 WeakPolarHBondContact O-CB 3.4Å; E438-V467 WeakPolarHBondContact O-CG1 3.37Å; P439-V467 WeakPolarHBondContact CD-O 3.3Å; F440-V467 HydrophobicContact CD1-CG2 4.22Å; F440-V467 HydrophobicContact CE1-CG2 4.1Å; I464-V467 HydrophobicContact CG2-CG2 3.81Å; Q465-V467 PolarHBondContact O-N 2.93Å; Q465-V467 VanDerWaalsContact O-N 3.12Å; V467-V478 HydrophobicContact CG1-CG2 4.01Å; V467-V478 HydrophobicContact CG2-CG2 4.13Å; V467-L583 HydrophobicContact CG2-CD1 3.87Å | ||
| 468 | F | 84.9 | Confident | 87.6 | Confident | 135 Ų | 135 | 51.9 Ų | 51.9 | 59% | 0.592 | 29% | 0.285 | S | S | * | . | trans | -123.9 | 159.4 | 176.8 | -60.6 | -72.8 | 0 | 0 | 0 | 109.4 | K437 N466 S476 | K437-F468 CarbonylContact O-C 3.52Å; N466-F468 HydrophobicContact CB-CE2 4.02Å; N466-F468 VanDerWaalsContact O-CD2 3.24Å; N466-F468 WeakPolarHBondContact O-CD2 3.48Å; N466-F468 WeakPolarHBondContact O-CE2 3.19Å; F468-S476 WeakPolarHBondContact O-CB 3.39Å; F468-S476 PolarHBondContact O-OG 2.79Å | ||
| 469 | P | 83.2 | Confident | 87.7 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 40% | 0.403 | 28% | 0.282 | S | S | . | . | trans | -63.1 | 162.8 | 171.3 | 29.9 | -36.1 | 0 | 0 | 0 | 111.3 | K437 D474 | K437-P469 HydrophobicContact CB-CB 4.48Å; K437-P469 HydrophobicContact CG-CB 4.46Å; K437-P469 VanDerWaalsContact O-CD 3.29Å; K437-P469 WeakPolarHBondContact O-CD 3.45Å; P469-D474 CarbonylContact C-O 2.85Å; P469-D474 VanDerWaalsContact CA-O 3.31Å; P469-D474 WeakPolarHBondContact CA-O 3.17Å; P469-D474 WeakPolarHBondContact CB-O 3.48Å | ||
| 470 | Q | 80.1 | Confident | 87.8 | Confident | 36 Ų | 36 | 50 Ų | 50 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | trans | -73.7 | 169.4 | 172.5 | -55.2 | -153.8 | -37.9 | 0 | 0 | 110.6 | D472 G473 D474 S476 I498 | Q470-D472 VanDerWaalsContact CB-OD1 3.27Å; Q470-D472 WeakPolarHBondContact CB-OD1 3.26Å; Q470-D472 PolarHBondContact O-N 3.28Å; Q470-G473 WeakPolarHBondContact O-CA 3.31Å; Q470-G473 PolarHBondContact O-N 3.47Å; Q470-D474 PolarHBondContact N-O 3.07Å; Q470-S476 WeakPolarHBondContact CG-OG 3.39Å; Q470-I498 PolarHBondContact NE2-O 3.12Å | ||
| 471 | S | 75.6 | Confident | 87.9 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 97% | 0.972 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.2 | -174.1 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 472 | D | 75.1 | Confident | 88 | Confident | 108 Ų | 108 | 53.3 Ų | 53.3 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -1.7 | 173.3 | 49.4 | 21.6 | 0 | 0 | 0 | 113.1 | Q470 D474 | Q470-D472 VanDerWaalsContact CB-OD1 3.27Å; Q470-D472 WeakPolarHBondContact CB-OD1 3.26Å; Q470-D472 PolarHBondContact O-N 3.28Å; D472-D474 VanDerWaalsContact C-N 3.35Å; D472-D474 VanDerWaalsContact OD1-CB 3.31Å; D472-D474 WeakPolarHBondContact OD1-CB 3.38Å; D472-D474 PolarHBondContact OD1-N 2.91Å |
| 473 | G | 74.6 | Confident | 88 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 85.4 | 2.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K437 Q470 | K437-G473 PolarHBondContact NZ-O 3.31Å; Q470-G473 WeakPolarHBondContact O-CA 3.31Å; Q470-G473 PolarHBondContact O-N 3.47Å |
| 474 | D | 81.6 | Confident | 88.1 | Confident | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 172.5 | -172.3 | -123.6 | -2.4 | 0 | 0 | 0 | 114.2 | K437 P469 Q470 D472 S476 | K437-D474 IonicContact NZ-OD1 3.34Å; K437-D474 PolarHBondContact NZ-OD1 2.97Å; P469-D474 CarbonylContact C-O 2.85Å; P469-D474 VanDerWaalsContact CA-O 3.31Å; P469-D474 WeakPolarHBondContact CA-O 3.17Å; P469-D474 WeakPolarHBondContact CB-O 3.48Å; Q470-D474 PolarHBondContact N-O 3.07Å; D472-D474 VanDerWaalsContact C-N 3.35Å; D472-D474 VanDerWaalsContact OD1-CB 3.31Å; D472-D474 WeakPolarHBondContact OD1-CB 3.38Å; D472-D474 PolarHBondContact OD1-N 2.91Å; D474-S476 PolarHBondContact O-N 3.31Å |
| 475 | S | 84.2 | Confident | 88.1 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 119.9 | -173.1 | 57 | 0 | 0 | 0 | 0 | 112.7 | K477 | S475-K477 PolarHBondContact O-N 2.57Š|
| 476 | S | 87.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 132.2 | 174.2 | -94.6 | 0 | 0 | 0 | 0 | 112.4 | H435 K436 F468 Q470 D474 V478 V497 | H435-S476 WeakPolarHBondContact CA-O 3.43Å; K436-S476 PolarHBondContact N-O 2.94Å; K436-S476 WeakPolarHBondContact O-CB 3.42Å; K436-S476 PolarHBondContact O-N 2.9Å; F468-S476 WeakPolarHBondContact O-CB 3.39Å; F468-S476 PolarHBondContact O-OG 2.79Å; Q470-S476 WeakPolarHBondContact CG-OG 3.39Å; D474-S476 PolarHBondContact O-N 3.31Å; S476-V478 PolarHBondContact O-N 3.06Å; S476-V497 WeakPolarHBondContact OG-CG2 3.45Å |
| 477 | K | 91.2 | Very high | 88.4 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 99.2 | 176.9 | -173.2 | 166.5 | -163.5 | 163.5 | 0 | 110.1 | T433 S475 I498 | T433-K477 HydrophobicContact CG2-CD 4.29Å; T433-K477 VanDerWaalsContact CG2-CE 3.46Å; T433-K477 HydrophobicContact CG2-CG 3.79Å; S475-K477 PolarHBondContact O-N 2.57Å; K477-I498 HydrophobicContact CB-CB 4.34Å; K477-I498 PolarHBondContact O-N 2.94Å |
| 478 | V | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.7 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 110 | T433 F434 F440 I464 V467 S476 V480 S496 L583 | T433-V478 WeakPolarHBondContact CA-O 3.24Å; F434-V478 PolarHBondContact N-O 3.07Å; F434-V478 PolarHBondContact O-N 3.18Å; F440-V478 HydrophobicContact CE1-CB 4.4Å; F440-V478 HydrophobicContact CE1-CG1 4.23Å; F440-V478 HydrophobicContact CE1-CG2 4.43Å; F440-V478 HydrophobicContact CZ-CG1 4.29Å; I464-V478 HydrophobicContact CG2-CG1 4.5Å; V467-V478 HydrophobicContact CG1-CG2 4.01Å; V467-V478 HydrophobicContact CG2-CG2 4.13Å; S476-V478 PolarHBondContact O-N 3.06Å; V478-V480 HydrophobicContact CG1-CG2 3.97Å; V478-S496 CarbonylContact C-O 3.59Å; V478-S496 WeakPolarHBondContact CA-O 3.38Å; V478-L583 HydrophobicContact CG1-CD1 3.73Å; V478-L583 HydrophobicContact CG2-CD1 4.23Å |
| 479 | K | 94.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.7 | 167.3 | -77.3 | -176.2 | -179 | 168.1 | 0 | 109.8 | V431 I432 A495 S496 I498 | V431-K479 HydrophobicContact CG1-CB 4.17Å; V431-K479 HydrophobicContact CG1-CD 4.27Å; V431-K479 HydrophobicContact CG1-CG 4.26Å; I432-K479 WeakPolarHBondContact O-CA 3.25Å; K479-A495 CarbonylContact O-C 3.59Å; K479-A495 WeakPolarHBondContact O-CA 3.5Å; K479-S496 PolarHBondContact N-O 3.36Å; K479-S496 PolarHBondContact O-N 3.27Å; K479-S496 PolarHBondContact O-OG 2.93Å; K479-I498 HydrophobicContact CD-CD1 3.68Å; K479-I498 HydrophobicContact CG-CD1 4Å |
| 480 | V | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.6 | 174 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V431 I432 F434 F440 L442 I464 V478 V482 V492 A495 | V431-V480 WeakPolarHBondContact CA-O 3.49Å; I432-V480 PolarHBondContact N-O 2.81Å; I432-V480 PolarHBondContact O-N 2.72Å; F434-V480 HydrophobicContact CD2-CB 4.2Å; F434-V480 HydrophobicContact CD2-CG2 3.71Å; F434-V480 HydrophobicContact CE2-CB 3.91Å; F434-V480 HydrophobicContact CE2-CG2 3.81Å; F440-V480 HydrophobicContact CZ-CG2 4.22Å; L442-V480 HydrophobicContact CD1-CG1 3.97Å; I464-V480 HydrophobicContact CG1-CG2 4.25Å; V478-V480 HydrophobicContact CG1-CG2 3.97Å; V480-V482 HydrophobicContact CG1-CG1 4.13Å; V480-V492 HydrophobicContact CG1-CG1 3.4Å; V480-A495 HydrophobicContact CG2-CB 4.22Å |
| 481 | K | 96.3 | Very high | 90.5 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 108.5 | 177.2 | -177.5 | -178.6 | -179.3 | -179.5 | 0 | 109 | V431 A493 S494 | V431-K481 HydrophobicContact CG2-CB 4.19Å; V431-K481 HydrophobicContact CG2-CG 4.09Å; K481-A493 PolarHBondContact O-N 2.77Å; K481-S494 WeakPolarHBondContact CB-OG 3.42Å; K481-S494 PolarHBondContact N-O 2.97Å; K481-S494 PolarHBondContact O-N 3.26Å |
| 482 | V | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 146.6 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | L404 V419 F420 S429 K430 I432 V480 F490 S491 V492 | L404-V482 HydrophobicContact CD1-CG1 3.91Å; V419-V482 HydrophobicContact CB-CG2 4.16Å; V419-V482 HydrophobicContact CG1-CG2 4.12Å; F420-V482 HydrophobicContact CE2-CG2 4.27Å; F420-V482 HydrophobicContact CZ-CG2 4.49Å; S429-V482 CarbonylContact C-O 3.5Å; S429-V482 VanDerWaalsContact CA-O 3.23Å; S429-V482 WeakPolarHBondContact CA-O 3.47Å; K430-V482 HydrophobicContact CB-CG2 4.17Å; K430-V482 PolarHBondContact N-O 3Å; K430-V482 PolarHBondContact O-N 3.32Å; I432-V482 HydrophobicContact CD1-CG2 4.17Å; V480-V482 HydrophobicContact CG1-CG1 4.13Å; V482-F490 HydrophobicContact CB-CE2 4.16Å; V482-F490 HydrophobicContact CB-CZ 3.96Å; V482-F490 HydrophobicContact CG1-CZ 4.19Å; V482-S491 WeakPolarHBondContact CA-O 3.46Å; V482-V492 HydrophobicContact CG1-CG2 4.03Å |
| 483 | R | 96.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 36% | 0.362 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 139.4 | -168.5 | 176.6 | 168.2 | -165.9 | -167.2 | 4.6 | 110.9 | F428 S429 F490 S491 A493 | F428-R483 WeakPolarHBondContact O-CA 3.43Å; F428-R483 WeakPolarHBondContact O-CG 3.31Å; S429-R483 WeakPolarHBondContact OG-CB 3.39Å; S429-R483 WeakPolarHBondContact OG-CD 3.38Å; S429-R483 WeakPolarHBondContact OG-CG 3.48Å; R483-F490 CarbonylContact O-C 3.6Å; R483-F490 WeakPolarHBondContact O-CA 3.38Å; R483-S491 PolarHBondContact N-O 3.11Å; R483-S491 PolarHBondContact O-N 3.25Å; R483-A493 HydrophobicContact CB-CB 3.95Å |
| 484 | V | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.3 | 151.5 | -179.4 | 0 | 0 | 0 | 0 | 108 | V398 I402 F420 A426 P427 F428 I489 F490 | V398-V484 HydrophobicContact CG2-CB 4.23Å; V398-V484 HydrophobicContact CG2-CG1 3.74Å; V398-V484 HydrophobicContact CG2-CG2 4.23Å; I402-V484 HydrophobicContact CD1-CG2 4.3Å; F420-V484 HydrophobicContact CD1-CG2 4.49Å; F420-V484 HydrophobicContact CD2-CG2 3.81Å; F420-V484 HydrophobicContact CE1-CG2 4.39Å; F420-V484 HydrophobicContact CE2-CG2 3.73Å; F420-V484 HydrophobicContact CG-CG2 4.22Å; F420-V484 HydrophobicContact CZ-CG2 4.04Å; A426-V484 HydrophobicContact CB-CG1 4.21Å; P427-V484 WeakPolarHBondContact CA-O 3.31Å; F428-V484 PolarHBondContact N-O 3.27Å; F428-V484 VanDerWaalsContact N-O 3.1Å; F428-V484 PolarHBondContact O-N 3.32Å; F428-V484 VanDerWaalsContact O-N 3.08Å; V484-I489 WeakPolarHBondContact CA-O 3.49Å; V484-F490 HydrophobicContact CG2-CD2 4.27Å |
| 485 | N | 94.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 33 Ų | 33 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | trans | -89.7 | -175.1 | -173.9 | 73.6 | 18.2 | 0 | 0 | 0 | 112.5 | H487 G488 I489 | N485-H487 PolarHBondContact O-N 3.27Å; N485-H487 VanDerWaalsContact O-N 3.16Å; N485-H487 WeakPolarHBondContact OD1-CA 3.46Å; N485-H487 WeakPolarHBondContact OD1-CB 3.48Å; N485-H487 PolarHBondContact OD1-CD2 3.41Å; N485-H487 PolarHBondContact OD1-N 3.14Å; N485-G488 PolarHBondContact O-N 3.24Å; N485-G488 VanDerWaalsContact O-N 3.13Å; N485-G488 PolarHBondContact OD1-N 3.34Å; N485-I489 PolarHBondContact N-O 3.42Å; N485-I489 WeakPolarHBondContact OD1-CB 3.33Å; N485-I489 PolarHBondContact OD1-N 2.95Å; N485-I489 VanDerWaalsContact OD1-N 3.1Å; N485-I489 PolarHBondContact OD1-O 3.28Å | ||
| 486 | I | 93.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 33% | 0.328 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.4 | -177 | 62.6 | 175.1 | 0 | 0 | 0 | 114.7 | L168 R169 P427 | L168-I486 WeakPolarHBondContact O-CD1 3.36Å; R169-I486 PolarHBondContact NE-O 3.15Å; R169-I486 VanDerWaalsContact NE-O 3.11Å; P427-I486 HydrophobicContact CB-CG2 4.15Å; P427-I486 HydrophobicContact CG-CG2 3.96Å |
| 487 | H | 95.1 | Very high | 94.5 | Very high | 28 Ų | 28 | 32 Ų | 32 | 13% | 0.13 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.6 | 178.2 | -47.4 | -104.3 | 0 | 0 | 0 | 112 | R153 M157 C167 L170 N485 I489 | R153-H487 WeakPolarHBondContact CD-O 3.4Å; R153-H487 PolarHBondContact NH1-O 3.46Å; M157-H487 HydrophobicContact SD-CB 4.47Å; M157-H487 PolarHBondContact SD-ND1 2.88Å; M157-H487 VanDerWaalsContact SD-ND1 3.37Å; C167-H487 PolarHBondContact O-CE1 3.12Å; L170-H487 HydrophobicContact CB-CB 4.07Å; L170-H487 HydrophobicContact CD1-CB 4.33Å; L170-H487 HydrophobicContact CG-CB 4.34Å; L170-H487 PolarHBondContact N-ND1 3.37Å; N485-H487 PolarHBondContact O-N 3.27Å; N485-H487 VanDerWaalsContact O-N 3.16Å; N485-H487 WeakPolarHBondContact OD1-CA 3.46Å; N485-H487 WeakPolarHBondContact OD1-CB 3.48Å; N485-H487 PolarHBondContact OD1-CD2 3.41Å; N485-H487 PolarHBondContact OD1-N 3.14Å; H487-I489 VanDerWaalsContact C-N 3.34Å; H487-I489 HydrophobicContact CB-CD1 3.93Å; H487-I489 HydrophobicContact CB-CG1 4.07Å |
| 488 | G | 93.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 77.7 | 16 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | N485 | N485-G488 PolarHBondContact O-N 3.24Å; N485-G488 VanDerWaalsContact O-N 3.13Å; N485-G488 PolarHBondContact OD1-N 3.34Å |
| 489 | I | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -96.4 | 135.5 | -176.7 | -67.7 | 173.7 | 0 | 0 | 0 | 110.3 | D150 R153 R154 M157 V484 N485 H487 | D150-I489 WeakPolarHBondContact OD2-CA 3.41Å; D150-I489 WeakPolarHBondContact OD2-CG2 3.38Å; R153-I489 HydrophobicContact CB-CD1 3.95Å; R153-I489 HydrophobicContact CB-CG1 3.72Å; R154-I489 HydrophobicContact CG-CD1 4.28Å; R154-I489 VanDerWaalsContact NH2-CG2 3.25Å; M157-I489 HydrophobicContact CE-CD1 3.71Å; M157-I489 HydrophobicContact CG-CD1 4.33Å; M157-I489 HydrophobicContact SD-CD1 4.12Å; V484-I489 WeakPolarHBondContact CA-O 3.49Å; N485-I489 PolarHBondContact N-O 3.42Å; N485-I489 WeakPolarHBondContact OD1-CB 3.33Å; N485-I489 PolarHBondContact OD1-N 2.95Å; N485-I489 VanDerWaalsContact OD1-N 3.1Å; N485-I489 PolarHBondContact OD1-O 3.28Å; H487-I489 VanDerWaalsContact C-N 3.34Å; H487-I489 HydrophobicContact CB-CD1 3.93Å; H487-I489 HydrophobicContact CB-CG1 4.07Å | ||
| 490 | F | 95.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 144.6 | 178.5 | -178.5 | -87.5 | 0 | 0 | 0 | 112.1 | D150 R154 I402 L404 V419 F420 A444 I459 F462 V482 R483 V484 | D150-F490 PolarHBondContact OD2-N 2.79Å; R154-F490 PolarHBondContact NH2-O 3.41Å; I402-F490 HydrophobicContact CD1-CB 4.34Å; I402-F490 HydrophobicContact CD1-CD2 3.96Å; I402-F490 HydrophobicContact CD1-CG 4.48Å; I402-F490 HydrophobicContact CG2-CD2 4.04Å; I402-F490 HydrophobicContact CG2-CE2 4.02Å; L404-F490 HydrophobicContact CD2-CE1 4.45Å; L404-F490 HydrophobicContact CD2-CZ 3.92Å; V419-F490 HydrophobicContact CG2-CE2 4.05Å; F420-F490 HydrophobicContact CD2-CD2 4.17Å; F420-F490 HydrophobicContact CD2-CE2 4.12Å; F420-F490 AromaticContact CE2-CD2 3.91Å; F420-F490 HydrophobicContact CE2-CD2 3.91Å; F420-F490 AromaticContact CE2-CE2 3.74Å; F420-F490 HydrophobicContact CE2-CE2 3.74Å; A444-F490 HydrophobicContact CB-CD1 4.09Å; A444-F490 HydrophobicContact CB-CE1 3.67Å; A444-F490 HydrophobicContact CB-CZ 4.14Å; I459-F490 HydrophobicContact CG2-CB 4.23Å; I459-F490 HydrophobicContact CG2-CD1 4.34Å; F462-F490 HydrophobicContact CD2-CE1 4.43Å; F462-F490 AromaticContact CE2-CD1 3.98Å; F462-F490 HydrophobicContact CE2-CD1 3.98Å; F462-F490 AromaticContact CE2-CE1 3.6Å; F462-F490 HydrophobicContact CE2-CE1 3.6Å; F462-F490 AromaticContact CZ-CD1 3.83Å; F462-F490 HydrophobicContact CZ-CD1 3.83Å; F462-F490 AromaticContact CZ-CE1 3.8Å; F462-F490 HydrophobicContact CZ-CE1 3.8Å; V482-F490 HydrophobicContact CB-CE2 4.16Å; V482-F490 HydrophobicContact CB-CZ 3.96Å; V482-F490 HydrophobicContact CG1-CZ 4.19Å; R483-F490 CarbonylContact O-C 3.6Å; R483-F490 WeakPolarHBondContact O-CA 3.38Å; V484-F490 HydrophobicContact CG2-CD2 4.27Å |
| 491 | S | 94.9 | Very high | 90.6 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 152.4 | 172.1 | 58.7 | 0 | 0 | 0 | 0 | 113 | V482 R483 | V482-S491 WeakPolarHBondContact CA-O 3.46Å; R483-S491 PolarHBondContact N-O 3.11Å; R483-S491 PolarHBondContact O-N 3.25Å |
| 492 | V | 95.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110 | 156 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | F462 V480 V482 I585 | F462-V492 HydrophobicContact CB-CB 4.41Å; F462-V492 HydrophobicContact CB-CG2 3.67Å; F462-V492 HydrophobicContact CD1-CB 3.91Å; F462-V492 HydrophobicContact CD1-CG2 3.58Å; F462-V492 HydrophobicContact CD2-CG2 3.82Å; F462-V492 HydrophobicContact CE1-CB 4.41Å; F462-V492 HydrophobicContact CE1-CG2 4.12Å; F462-V492 HydrophobicContact CE2-CG2 4.34Å; F462-V492 HydrophobicContact CG-CB 4.2Å; F462-V492 HydrophobicContact CG-CG2 3.4Å; F462-V492 HydrophobicContact CZ-CG2 4.46Å; V480-V492 HydrophobicContact CG1-CG1 3.4Å; V482-V492 HydrophobicContact CG1-CG2 4.03Å; V492-I585 HydrophobicContact CB-CD1 4.34Å; V492-I585 HydrophobicContact CB-CG2 4.33Å; V492-I585 HydrophobicContact CG1-CD1 3.65Å; V492-I585 HydrophobicContact CG1-CG1 4.36Å; V492-I585 HydrophobicContact CG1-CG2 4.47Å |
| 493 | A | 92.6 | Very high | 86 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -26.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K481 R483 | K481-A493 PolarHBondContact O-N 2.77Å; R483-A493 HydrophobicContact CB-CB 3.95Å |
| 494 | S | 94.4 | Very high | 83.3 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 152 | 168.7 | 63 | 0 | 0 | 0 | 0 | 110.9 | K481 | K481-S494 WeakPolarHBondContact CB-OG 3.42Å; K481-S494 PolarHBondContact N-O 2.97Å; K481-S494 PolarHBondContact O-N 3.26Å |
| 495 | A | 94.6 | Very high | 80.5 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | I464 K479 V480 D582 L583 I585 | I464-A495 HydrophobicContact CG1-CB 3.97Å; I464-A495 HydrophobicContact CG2-CB 3.82Å; K479-A495 CarbonylContact O-C 3.59Å; K479-A495 WeakPolarHBondContact O-CA 3.5Å; V480-A495 HydrophobicContact CG2-CB 4.22Å; A495-D582 WeakPolarHBondContact O-CA 3.34Å; A495-L583 HydrophobicContact CB-CB 4.1Å; A495-L583 PolarHBondContact O-N 2.88Å; A495-I585 HydrophobicContact CB-CD1 3.92Å; A495-I585 HydrophobicContact CB-CG1 3.88Å |
| 496 | S | 93.8 | Very high | 77.5 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.3 | -173.8 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | V478 K479 I581 | V478-S496 CarbonylContact C-O 3.59Å; V478-S496 WeakPolarHBondContact CA-O 3.38Å; K479-S496 PolarHBondContact N-O 3.36Å; K479-S496 PolarHBondContact O-N 3.27Å; K479-S496 PolarHBondContact O-OG 2.93Å; S496-I581 CarbonylContact C-O 3.42Å; S496-I581 WeakPolarHBondContact CA-O 3.32Å |
| 497 | V | 91.4 | Very high | 74.7 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.085 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 141.4 | 171.9 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | S476 S580 I581 L583 | S476-V497 WeakPolarHBondContact OG-CG2 3.45Å; V497-S580 WeakPolarHBondContact O-CA 3.27Å; V497-I581 HydrophobicContact CG1-CB 3.82Å; V497-I581 PolarHBondContact N-O 2.82Å; V497-I581 PolarHBondContact O-N 3.18Å; V497-L583 HydrophobicContact CB-CD1 4.24Å; V497-L583 HydrophobicContact CB-CD2 4.4Å; V497-L583 HydrophobicContact CG1-CD2 3.99Å; V497-L583 HydrophobicContact CG1-CG 4.49Å |
| 498 | I | 86.4 | Confident | 71.7 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 108.9 | 178.6 | -77.6 | 176.5 | 0 | 0 | 0 | 109.8 | Q470 K477 K479 V578 | Q470-I498 PolarHBondContact NE2-O 3.12Å; K477-I498 HydrophobicContact CB-CB 4.34Å; K477-I498 PolarHBondContact O-N 2.94Å; K479-I498 HydrophobicContact CD-CD1 3.68Å; K479-I498 HydrophobicContact CG-CD1 4Å; I498-V578 HydrophobicContact CG1-CG1 4.48Å; I498-V578 HydrophobicContact CG2-CG1 3.73Å |
| 499 | E | 81 | Confident | 68.7 | Low | 74 Ų | 74 | 78.8 Ų | 78.8 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.7 | 172.5 | -64.1 | 177.7 | 154.7 | 0 | 0 | 110.1 | K579 I581 | E499-K579 HydrophobicContact CB-CB 4.34Å; E499-K579 PolarHBondContact N-O 3.39Å; E499-K579 PolarHBondContact O-N 3.04Å; E499-K579 WeakPolarHBondContact OE2-CD 3.37Å; E499-K579 IonicContact OE2-NZ 2.66Å; E499-K579 PolarHBondContact OE2-NZ 2.99Å; E499-I581 VanDerWaalsContact CD-CD1 3.49Å; E499-I581 HydrophobicContact CG-CD1 4.42Å; E499-I581 VanDerWaalsContact OE1-CD1 3.29Å; E499-I581 WeakPolarHBondContact OE1-CD1 3.42Å; E499-I581 WeakPolarHBondContact OE2-CD1 3.42Å |
| 500 | K | 69.2 | Low | 65.7 | Low | 149 Ų | 149 | 83 Ų | 83 | 65% | 0.648 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 117 | 164.3 | -62.1 | 172.8 | -168 | 154.4 | 0 | 107.6 | N502 | K500-N502 PolarHBondContact O-N 3.41Å |
| 501 | Q | 56.6 | Low | 62.9 | Low | 110 Ų | 110 | 88.9 Ų | 88.9 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | trans | -82.7 | 107.2 | 171.4 | -164.8 | 172.5 | 28.9 | 0 | 0 | 109.4 | L503 K577 | Q501-L503 PolarHBondContact O-N 2.82Å; Q501-K577 WeakPolarHBondContact CB-O 3.08Å | ||
| 502 | N | 48.3 | Very low | 60 | Low | 129 Ų | 129 | 96 Ų | 96 | 69% | 0.69 | 54% | 0.54 | S | S | * | . | trans | -68.3 | 124.2 | 167 | -74.6 | -3.2 | 0 | 0 | 0 | 108.4 | K500 | K500-N502 PolarHBondContact O-N 3.41Š| ||
| 503 | L | 46.8 | Very low | 56.8 | Low | 138 Ų | 138 | 104 Ų | 104 | 72% | 0.723 | 58% | 0.576 | S | S | * | * | trans | -98.7 | 76.9 | 169.8 | -71.9 | 171.4 | 0 | 0 | 0 | 108.1 | Q501 | Q501-L503 PolarHBondContact O-N 2.82Š| ||
| 504 | E | 40.6 | Very low | 53.6 | Low | 180 Ų | 180 | 107.1 Ų | 107.1 | 84% | 0.841 | 59% | 0.591 | S | S | * | * | trans | -77.6 | 138.9 | 159.5 | -64.3 | -169.4 | 154.7 | 0 | 0 | 108 | ||||
| 505 | G | 36.4 | Very low | 50.3 | Low | 71 Ų | 71 | 113 Ų | 113 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | trans | -88.9 | 135.4 | -159.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 506 | D | 30.5 | Very low | 46.9 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 80% | 0.797 | 65% | 0.645 | S | S | * | * | trans | -96.9 | 99.2 | 160.7 | -160.3 | -14.2 | 0 | 0 | 0 | 108.1 | ||||
| 507 | H | 35.2 | Very low | 43.7 | Very low | 194 Ų | 194 | 123.6 Ų | 123.6 | 90% | 0.898 | 68% | 0.683 | S | S | * | * | trans | -104.8 | 96.2 | 174.2 | -94.6 | -69.4 | 0 | 0 | 0 | 108.5 | ||||
| 508 | S | 32.1 | Very low | 40.5 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -132.3 | 145.4 | 161.8 | 48 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 509 | D | 31.4 | Very low | 37.6 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -77.1 | 151 | -151.1 | -56.8 | -75.7 | 0 | 0 | 0 | 115.7 | ||||
| 510 | A | 32.8 | Very low | 35 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -89.2 | 148.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 511 | P | 37.2 | Very low | 33 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -125 | 158.6 | 115 | 3 | 17.3 | 0 | 0 | 0 | 113 | |||||
| 512 | M | 33.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -79.3 | 151.2 | 168.3 | -73.8 | 176.8 | -86.8 | 0 | 0 | 111.2 | ||||
| 513 | E | 28.6 | Very low | 30.7 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -158.1 | 149.5 | 136.2 | -118.9 | 172.9 | -156.8 | 0 | 0 | 114.5 | ||||
| 514 | T | 24.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 46.7 | 109.4 | 158.8 | 52.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 515 | E | 25.5 | Very low | 29 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 58.7 | 118.8 | 117.8 | -60.4 | -155.2 | 137.5 | 0 | 0 | 124.4 | |||||
| 516 | T | 24.5 | Very low | 28.4 | Very low | 111 Ų | 111 | 142 Ų | 142 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | 65.8 | 123.6 | 136 | 63.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 517 | S | 25.6 | Very low | 28.1 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | -159.5 | 135.8 | 123.8 | -86.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 518 | F | 25.1 | Very low | 27.7 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -89.7 | 140.9 | -179.2 | -88.6 | -99.6 | 0 | 0 | 0 | 113.1 | ||||
| 519 | K | 26 | Very low | 27.4 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | trans | -173.7 | 119.5 | 135.9 | -101.9 | 154.8 | -172.1 | 178 | 0 | 107.9 | ||||
| 520 | N | 25.6 | Very low | 27 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | 49.6 | 124 | 57.9 | -80.7 | 43 | 0 | 0 | 0 | 111.3 | |||||
| 521 | E | 27.5 | Very low | 26.5 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | cis | -148.5 | 173.6 | 21.6 | -75.5 | -147.6 | 127.9 | 0 | 0 | 109.1 | ||||
| 522 | N | 28 | Very low | 25.8 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 57% | 0.572 | 72% | 0.724 | S | S | * | * | cis | -173.1 | 178.2 | -10.9 | -98.3 | -10.4 | 0 | 0 | 0 | 104.8 | ||||
| 523 | K | 27.5 | Very low | 25.2 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | cis | -172.1 | 178.4 | -15.4 | -104.4 | -178.2 | 155.3 | -73.8 | 0 | 104.8 | ||||
| 524 | D | 27.1 | Very low | 24.9 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | cis | -164.8 | 168.4 | -3.8 | -119.8 | 4.3 | 0 | 0 | 0 | 106.8 | ||||
| 525 | N | 26 | Very low | 24.9 | Very low | 116 Ų | 116 | 144 Ų | 144 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | cis | -155.2 | -172 | -10.7 | -147.8 | -24.9 | 0 | 0 | 0 | 110.1 | ||||
| 526 | M | 23.6 | Very low | 24.7 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 70% | 0.7 | 72% | 0.719 | S | S | * | * | trans | -34.1 | 164.7 | 162.6 | -72.7 | 166.5 | 62.5 | 0 | 0 | 117.2 | ||||
| 527 | D | 24.7 | Very low | 24.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | cis | -152.5 | 166.9 | 30.8 | -144.7 | -21.5 | 0 | 0 | 0 | 116.1 | ||||
| 528 | K | 25.6 | Very low | 24.6 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | trans | -157 | 99.3 | 178 | -151.5 | -175.3 | -170.9 | -171.6 | 0 | 114.3 | ||||
| 529 | M | 25.8 | Very low | 24.5 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | trans | -148 | 150.1 | 166.7 | -85.6 | -178.1 | 129.7 | 0 | 0 | 108.2 | ||||
| 530 | Q | 22.8 | Very low | 24.5 | Very low | 139 Ų | 139 | 141 Ų | 141 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | cis | -155.5 | 156.3 | -24.4 | -153.4 | 175.3 | -32.9 | 0 | 0 | 104.2 | ||||
| 531 | V | 22.3 | Very low | 24.3 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | 175.7 | 127.4 | 91.3 | 163.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 532 | D | 22.5 | Very low | 24 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 50% | 0.503 | 74% | 0.742 | S | S | . | * | trans | 22.1 | 132.6 | 143.6 | -60.5 | -76.4 | 0 | 0 | 0 | 124.5 | ||||
| 533 | Q | 21.3 | Very low | 23.9 | Very low | 151 Ų | 151 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 77.1 | 148.2 | 126.1 | -66.2 | 164.6 | 32 | 0 | 0 | 119.2 | |||||
| 534 | E | 21.9 | Very low | 23.6 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -149.8 | 175.1 | 6.2 | -134.5 | 169.4 | -165.6 | 0 | 0 | 113.5 | ||||
| 535 | E | 23.8 | Very low | 23.6 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 22 | 131.4 | 166.7 | -53.5 | -147.8 | 128.7 | 0 | 0 | 123.7 | ||||
| 536 | G | 21.3 | Very low | 23.4 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -117.3 | 95.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 537 | G | 23.2 | Very low | 23.5 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -77.7 | 140.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 538 | Q | 24.1 | Very low | 23.4 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -113 | 118.4 | 175.1 | -70.6 | -173.9 | -13.4 | 0 | 0 | 112.6 | ||||
| 539 | Q | 24.7 | Very low | 23.3 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -155.9 | 108.6 | 154.6 | -104.3 | 156.8 | 26.8 | 0 | 0 | 107.7 | ||||
| 540 | K | 24.5 | Very low | 23.1 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | 63.5 | 96 | 87.7 | -76.6 | -169 | 173.7 | -174.9 | 0 | 113.4 | |||||
| 541 | C | 21.4 | Very low | 23.1 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | trans | -67.9 | 129.9 | 157 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 542 | H | 22.1 | Very low | 23.1 | Very low | 168 Ų | 168 | 150 Ų | 150 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -75.1 | 148.6 | 159.8 | -88.3 | -116.8 | 0 | 0 | 0 | 109.6 | ||||
| 543 | A | 25.3 | Very low | 23.2 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -119.6 | 112.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 544 | E | 22.2 | Very low | 23.3 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -89.7 | 134.8 | 171.9 | -63.1 | -178.6 | 133.8 | 0 | 0 | 108.9 | ||||
| 545 | H | 25.7 | Very low | 23.4 | Very low | 196 Ų | 196 | 148 Ų | 148 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -151.9 | 130.2 | 147.6 | -104.6 | -65.9 | 0 | 0 | 0 | 109.3 | ||||
| 546 | T | 22.9 | Very low | 23.5 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -79.4 | 160 | 177.6 | 12.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 547 | P | 26 | Very low | 23.6 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -108.3 | 163 | -168.3 | 40.6 | -34.1 | 0 | 0 | 0 | 115.1 | ||||
| 548 | E | 22.6 | Very low | 23.7 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -134.1 | 118.8 | 155.7 | -63.4 | 179 | 154.2 | 0 | 0 | 104.6 | ||||
| 549 | E | 23.2 | Very low | 23.7 | Very low | 191 Ų | 191 | 150.3 Ų | 150.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | 59.6 | 134.7 | 90.7 | -64.5 | -167.7 | 170.5 | 0 | 0 | 113.8 | |||||
| 550 | E | 21.1 | Very low | 23.6 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | cis | -146.2 | 176 | 2.2 | -142.8 | -162.4 | 169.4 | 0 | 0 | 107 | ||||
| 551 | I | 23.6 | Very low | 23.6 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -152.9 | 157.8 | 11.3 | -26.3 | 161.4 | 0 | 0 | 0 | 108.4 | ||||
| 552 | D | 22.6 | Very low | 23.8 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | -159.6 | 166.2 | 127.4 | -154.6 | 1 | 0 | 0 | 0 | 112.1 | |||||
| 553 | H | 24.4 | Very low | 23.9 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | trans | -102.5 | 139.7 | -160.2 | -81.6 | -88.2 | 0 | 0 | 0 | 117.3 | ||||
| 554 | T | 23 | Very low | 23.9 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | 50 | 119.8 | 142.1 | 62.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 555 | G | 24.1 | Very low | 24.2 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -168.3 | 75.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 556 | A | 24.5 | Very low | 24.2 | Very low | 86 Ų | 86 | 142.4 Ų | 142.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 139.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 557 | K | 24.8 | Very low | 24.5 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 71.1 | 153.5 | 144.4 | -65.6 | 166.4 | -176 | 173.6 | 0 | 117.5 | ||||
| 558 | T | 24 | Very low | 24.5 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | -158.3 | 154.6 | 15.9 | -16.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 559 | K | 25.7 | Very low | 24.8 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | 61.1 | 98.8 | 144.1 | -85.1 | 171.5 | 179.2 | -175.7 | 0 | 123.1 | ||||
| 560 | S | 22.4 | Very low | 25.1 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | 44.9 | 121.4 | 112.7 | 65.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 561 | A | 24.8 | Very low | 25.5 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 167.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 562 | V | 25 | Very low | 25.7 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -148.8 | 147.8 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 563 | S | 23.9 | Very low | 26.2 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | cis | -121.2 | -156 | 25.3 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 564 | D | 25.6 | Very low | 26.7 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | cis | -157.4 | 173.8 | 10.1 | -129 | -42.7 | 0 | 0 | 0 | 112.7 | ||||
| 565 | K | 28.4 | Very low | 27.5 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -95.2 | 132.6 | 172.8 | -71.3 | -179.7 | 178.1 | 179.2 | 0 | 112.2 | ||||
| 566 | Q | 26.6 | Very low | 28.6 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | -172 | 162.8 | 125.6 | -110.5 | 172.9 | -12.9 | 0 | 0 | 115 | |||||
| 567 | D | 27.2 | Very low | 30 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -66.9 | 146.2 | -167.1 | -53.7 | -93.8 | 0 | 0 | 0 | 116.2 | ||||
| 568 | R | 27.8 | Very low | 32.1 | Very low | 249 Ų | 249 | 149.5 Ų | 149.5 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | trans | -155.6 | 90.8 | 145.4 | -111.2 | 161.8 | -156.8 | -145 | 2.5 | 113.6 | ||||
| 569 | L | 27.9 | Very low | 34.8 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | 3.7 | 125.9 | 150.6 | -69.2 | 158.6 | 0 | 0 | 0 | 119 | ||||
| 570 | N | 30.2 | Very low | 37.6 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 29 | 92.4 | 139.2 | -67.2 | -16.4 | 0 | 0 | 0 | 118.5 | ||||
| 571 | Q | 28.1 | Very low | 40.8 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | trans | -95.1 | 81.6 | 144.6 | -75.2 | -162.3 | -4.6 | 0 | 0 | 110.4 | L573 | Q571-L573 PolarHBondContact O-N 3.45Š| ||
| 572 | T | 29.5 | Very low | 44 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -68.7 | 100.7 | 166.8 | -41.7 | 0 | 0 | 0 | 0 | 108.4 | K574 | T572-K574 PolarHBondContact O-N 2.88Š| ||
| 573 | L | 32.6 | Very low | 47.2 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | trans | -51.8 | 113.2 | 173.2 | -81.2 | 165.6 | 0 | 0 | 0 | 109.5 | Q571 K575 | Q571-L573 PolarHBondContact O-N 3.45Å; L573-K575 PolarHBondContact O-N 3.37Å | ||
| 574 | K | 34.5 | Very low | 50.6 | Low | 203 Ų | 203 | 134.9 Ų | 134.9 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | trans | -59.9 | 106.6 | 177.3 | -73.3 | -179.8 | 178 | 175.9 | 0 | 108.3 | T572 G576 | T572-K574 PolarHBondContact O-N 2.88Å; K574-G576 PolarHBondContact O-N 3.12Å | ||
| 575 | K | 40.5 | Very low | 53.9 | Low | 206 Ų | 206 | 130 Ų | 130 | 90% | 0.896 | 65% | 0.646 | S | S | * | * | trans | -59.2 | 111.6 | 167.7 | -73.2 | 178.9 | 178.9 | 172.3 | 0 | 107.3 | L573 | L573-K575 PolarHBondContact O-N 3.37Š| ||
| 576 | G | 47 | Very low | 56.9 | Low | 43 Ų | 43 | 126.3 Ų | 126.3 | 44% | 0.443 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 153.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | K574 V578 | K574-G576 PolarHBondContact O-N 3.12Å; G576-V578 PolarHBondContact O-N 3.38Å |
| 577 | K | 54.5 | Low | 60.1 | Low | 161 Ų | 161 | 120.3 Ų | 120.3 | 70% | 0.7 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.3 | 176.1 | -74.5 | -177.6 | 177.5 | 177.5 | 0 | 108.5 | Q501 | Q501-K577 WeakPolarHBondContact CB-O 3.08Š|
| 578 | V | 68 | Low | 63.1 | Low | 95 Ų | 95 | 117.3 Ų | 117.3 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.3 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | I498 G576 | I498-V578 HydrophobicContact CG1-CG1 4.48Å; I498-V578 HydrophobicContact CG2-CG1 3.73Å; G576-V578 PolarHBondContact O-N 3.38Å |
| 579 | K | 80.8 | Confident | 66 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 48% | 0.478 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.3 | 171.9 | -177.9 | 171.5 | 156.6 | -125.1 | 0 | 108.8 | E499 I581 | E499-K579 HydrophobicContact CB-CB 4.34Å; E499-K579 PolarHBondContact N-O 3.39Å; E499-K579 PolarHBondContact O-N 3.04Å; E499-K579 WeakPolarHBondContact OE2-CD 3.37Å; E499-K579 IonicContact OE2-NZ 2.66Å; E499-K579 PolarHBondContact OE2-NZ 2.99Å; K579-I581 HydrophobicContact CG-CG1 4.24Å |
| 580 | S | 85.2 | Confident | 68.6 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.4 | 172.9 | -165.9 | 0 | 0 | 0 | 0 | 107.4 | V497 | V497-S580 WeakPolarHBondContact O-CA 3.27Å |
| 581 | I | 88.4 | Confident | 71.1 | Confident | 58 Ų | 58 | 98 Ų | 98 | 30% | 0.297 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.8 | 174.5 | -55.5 | 178.9 | 0 | 0 | 0 | 107.6 | S496 V497 E499 K579 | S496-I581 CarbonylContact C-O 3.42Å; S496-I581 WeakPolarHBondContact CA-O 3.32Å; V497-I581 HydrophobicContact CG1-CB 3.82Å; V497-I581 PolarHBondContact N-O 2.82Å; V497-I581 PolarHBondContact O-N 3.18Å; E499-I581 VanDerWaalsContact CD-CD1 3.49Å; E499-I581 HydrophobicContact CG-CD1 4.42Å; E499-I581 VanDerWaalsContact OE1-CD1 3.29Å; E499-I581 WeakPolarHBondContact OE1-CD1 3.42Å; E499-I581 WeakPolarHBondContact OE2-CD1 3.42Å; K579-I581 HydrophobicContact CG-CG1 4.24Å |
| 582 | D | 92.8 | Very high | 73.9 | Confident | 125 Ų | 125 | 93.4 Ų | 93.4 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.1 | 177.6 | -66.6 | -35.2 | 0 | 0 | 0 | 111.3 | A495 | A495-D582 WeakPolarHBondContact O-CA 3.34Å |
| 583 | L | 92.6 | Very high | 76.8 | Confident | 17 Ų | 17 | 88.4 Ų | 88.4 | 9% | 0.089 | 46% | 0.46 | C | S | . | . | trans | -113.6 | 136.7 | -172.4 | -60.3 | 174.7 | 0 | 0 | 0 | 110.3 | I464 V467 V478 A495 V497 | I464-L583 HydrophobicContact CG2-CB 3.91Å; I464-L583 HydrophobicContact CG2-CD1 3.67Å; I464-L583 HydrophobicContact CG2-CG 4.47Å; V467-L583 HydrophobicContact CG2-CD1 3.87Å; V478-L583 HydrophobicContact CG1-CD1 3.73Å; V478-L583 HydrophobicContact CG2-CD1 4.23Å; A495-L583 HydrophobicContact CB-CB 4.1Å; A495-L583 PolarHBondContact O-N 2.88Å; V497-L583 HydrophobicContact CB-CD1 4.24Å; V497-L583 HydrophobicContact CB-CD2 4.4Å; V497-L583 HydrophobicContact CG1-CD2 3.99Å; V497-L583 HydrophobicContact CG1-CG 4.49Å | ||
| 584 | P | 94.1 | Very high | 79.5 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | trans | -62.9 | 141.2 | 175.3 | -18.2 | 30.7 | 0 | 0 | 0 | 111.6 | Q465 | Q465-P584 HydrophobicContact CB-CB 4.24Å; Q465-P584 PolarHBondContact N-O 2.95Å | ||
| 585 | I | 94.3 | Very high | 82.3 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117 | 176.2 | -59.7 | 154.6 | 0 | 0 | 0 | 108.3 | F462 T463 V492 A495 | F462-I585 HydrophobicContact CB-CG2 4.24Å; F462-I585 HydrophobicContact CD1-CG2 4.36Å; T463-I585 WeakPolarHBondContact O-CA 3.41Å; V492-I585 HydrophobicContact CB-CD1 4.34Å; V492-I585 HydrophobicContact CB-CG2 4.33Å; V492-I585 HydrophobicContact CG1-CD1 3.65Å; V492-I585 HydrophobicContact CG1-CG1 4.36Å; V492-I585 HydrophobicContact CG1-CG2 4.47Å; A495-I585 HydrophobicContact CB-CD1 3.92Å; A495-I585 HydrophobicContact CB-CG1 3.88Å |
| 586 | Q | 93 | Very high | 84.8 | Confident | 117 Ų | 117 | 75 Ų | 75 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.1 | 168.1 | -175.3 | 176.7 | 4.5 | 0 | 0 | 108.8 | F462 T463 | F462-Q586 CarbonylContact C-O 3.55Å; F462-Q586 WeakPolarHBondContact CA-O 3.34Å; T463-Q586 PolarHBondContact N-O 3.5Å; T463-Q586 PolarHBondContact O-N 2.87Å |
| 587 | S | 92.3 | Very high | 87.1 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.9 | -179.2 | -54.7 | 0 | 0 | 0 | 0 | 111 | F462 | F462-S587 WeakPolarHBondContact CD1-OG 3.01Å |
| 588 | S | 90.8 | Very high | 89 | Confident | 80 Ų | 80 | 69 Ų | 69 | 56% | 0.559 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 99.4 | 174.4 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | G460 S461 | G460-S588 CarbonylContact C-O 3.55Å; G460-S588 WeakPolarHBondContact CA-O 3.36Å; S461-S588 PolarHBondContact N-O 3.5Å; S461-S588 PolarHBondContact O-N 2.86Å |
| 589 | L | 89.4 | Confident | 90.4 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.2 | -163.9 | -70.7 | 156.8 | 0 | 0 | 0 | 111.5 | F462 R591 Q592 | F462-L589 HydrophobicContact CE1-CD2 4.05Å; F462-L589 HydrophobicContact CE2-CD2 4.47Å; F462-L589 HydrophobicContact CZ-CD2 3.65Å; L589-R591 PolarHBondContact O-N 2.87Å; L589-Q592 HydrophobicContact CB-CB 4.09Å; L589-Q592 VanDerWaalsContact CD1-OE1 3.29Å; L589-Q592 PolarHBondContact O-N 2.93Å |
| 590 | C | 82.9 | Confident | 91.1 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 14% | 0.142 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 124.5 | -170.7 | -162.7 | 0 | 0 | 0 | 0 | 111 | D456 R458 I459 Q592 | D456-C590 PolarHBondContact OD2-SG 2.63Å; R458-C590 WeakPolarHBondContact O-CB 3.38Å; I459-C590 WeakPolarHBondContact O-CB 3.32Å; I459-C590 PolarHBondContact O-N 3.21Å; C590-Q592 PolarHBondContact O-N 3.35Å |
| 591 | R | 82.4 | Confident | 91.7 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 10.5 | 179.6 | -50.8 | -57.6 | 174.4 | 147.7 | 12 | 116.7 | G72 S74 N96 G97 L589 L593 | G72-R591 VanDerWaalsContact O-CB 3.3Å; G72-R591 WeakPolarHBondContact O-CB 3.24Å; G72-R591 WeakPolarHBondContact O-CG 3.3Å; S74-R591 PolarHBondContact OG-NH2 3.35Å; N96-R591 PolarHBondContact O-NH1 3.3Å; G97-R591 PolarHBondContact O-NH1 3.44Å; L589-R591 PolarHBondContact O-N 2.87Å; R591-L593 PolarHBondContact O-N 3.32Å |
| 592 | Q | 87.4 | Confident | 92.2 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 135.2 | 172.8 | -176.6 | 173.5 | -23.4 | 0 | 0 | 110.5 | L589 C590 | L589-Q592 HydrophobicContact CB-CB 4.09Å; L589-Q592 VanDerWaalsContact CD1-OE1 3.29Å; L589-Q592 PolarHBondContact O-N 2.93Å; C590-Q592 PolarHBondContact O-N 3.35Å |
| 593 | L | 89.7 | Confident | 92.4 | Very high | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 132.4 | 172 | -58.9 | -177.7 | 0 | 0 | 0 | 110.6 | E115 A158 R591 L597 L598 Y601 | E115-L593 HydrophobicContact CB-CD1 4.03Å; E115-L593 HydrophobicContact CG-CD1 3.8Å; E115-L593 HydrophobicContact CG-CG 4.5Å; A158-L593 HydrophobicContact CB-CD1 4.15Å; R591-L593 PolarHBondContact O-N 3.32Å; L593-L597 HydrophobicContact CD2-CD2 3.98Å; L593-L598 HydrophobicContact CD1-CD1 4.35Å; L593-Y601 HydrophobicContact CD1-CD2 3.71Å; L593-Y601 HydrophobicContact CD1-CE2 3.59Å; L593-Y601 HydrophobicContact CD2-CE2 4.25Å |
| 594 | G | 90 | Very high | 92.6 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 151.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D596 L597 L598 | G594-D596 VanDerWaalsContact C-N 3.31Å; G594-D596 PolarHBondContact O-N 2.78Å; G594-L597 PolarHBondContact O-N 2.84Å; G594-L598 PolarHBondContact O-N 2.79Å |
| 595 | Q | 92.1 | Very high | 92.8 | Very high | 105 Ų | 105 | 61 Ų | 61 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | -170.5 | -168.3 | 62.2 | 51.8 | 0 | 0 | 112.8 | L597 L598 N599 | Q595-L597 PolarHBondContact O-N 2.94Å; Q595-L598 PolarHBondContact O-N 3.28Å; Q595-N599 PolarHBondContact NE2-OD1 2.98Å; Q595-N599 WeakPolarHBondContact O-CB 3.41Å; Q595-N599 PolarHBondContact O-N 2.84Å; Q595-N599 PolarHBondContact O-ND2 3.46Å; Q595-N599 PolarHBondContact O-OD1 2.79Å |
| 596 | D | 93.9 | Very high | 93 | Very high | 135 Ų | 135 | 60.7 Ų | 60.7 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | -179.2 | -49.6 | -56 | 0 | 0 | 0 | 112.3 | G594 N599 S600 | G594-D596 VanDerWaalsContact C-N 3.31Å; G594-D596 PolarHBondContact O-N 2.78Å; D596-N599 PolarHBondContact O-N 2.87Å; D596-S600 PolarHBondContact O-N 2.9Å |
| 597 | L | 93.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 175.7 | -176.3 | 59.6 | 0 | 0 | 0 | 111.1 | L593 G594 Q595 S600 Y601 | L593-L597 HydrophobicContact CD2-CD2 3.98Å; G594-L597 PolarHBondContact O-N 2.84Å; Q595-L597 PolarHBondContact O-N 2.94Å; L597-S600 PolarHBondContact O-N 3.11Å; L597-Y601 HydrophobicContact CD1-CD1 4.25Å; L597-Y601 HydrophobicContact CD1-CE1 3.53Å; L597-Y601 HydrophobicContact CG-CE1 4.04Å; L597-Y601 HydrophobicContact CG-CE2 4.18Å; L597-Y601 WeakPolarHBondContact O-CD1 3.35Å; L597-Y601 VanDerWaalsContact O-CG 3.32Å; L597-Y601 PolarHBondContact O-N 3.02Å |
| 598 | L | 95.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 175 | -176 | 53.4 | 0 | 0 | 0 | 112 | A158 Q161 V162 L593 G594 Q595 S600 Y601 I602 | A158-L598 HydrophobicContact CB-CD1 4.1Å; Q161-L598 HydrophobicContact CB-CD1 4.46Å; Q161-L598 HydrophobicContact CB-CD2 4.42Å; V162-L598 HydrophobicContact CG2-CD1 3.75Å; L593-L598 HydrophobicContact CD1-CD1 4.35Å; G594-L598 PolarHBondContact O-N 2.79Å; Q595-L598 PolarHBondContact O-N 3.28Å; L598-S600 VanDerWaalsContact C-N 3.34Å; L598-S600 PolarHBondContact O-N 2.75Å; L598-Y601 PolarHBondContact O-N 3.18Å; L598-I602 HydrophobicContact CG-CD1 4.37Å; L598-I602 WeakPolarHBondContact O-CG1 3.48Å; L598-I602 PolarHBondContact O-N 2.86Å |
| 599 | N | 96.8 | Very high | 93.7 | Very high | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 172.6 | -67.5 | -11.9 | 0 | 0 | 0 | 111.1 | Q595 D596 Y601 I602 E603 | Q595-N599 PolarHBondContact NE2-OD1 2.98Å; Q595-N599 WeakPolarHBondContact O-CB 3.41Å; Q595-N599 PolarHBondContact O-N 2.84Å; Q595-N599 PolarHBondContact O-ND2 3.46Å; Q595-N599 PolarHBondContact O-OD1 2.79Å; D596-N599 PolarHBondContact O-N 2.87Å; N599-Y601 VanDerWaalsContact C-N 3.32Å; N599-Y601 PolarHBondContact O-N 2.75Å; N599-I602 PolarHBondContact O-N 2.71Å; N599-E603 PolarHBondContact O-N 3.12Å |
| 600 | S | 97 | Very high | 94 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 174.2 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | D596 L597 L598 E603 N604 | D596-S600 PolarHBondContact O-N 2.9Å; L597-S600 PolarHBondContact O-N 3.11Å; L598-S600 VanDerWaalsContact C-N 3.34Å; L598-S600 PolarHBondContact O-N 2.75Å; S600-E603 PolarHBondContact O-N 2.82Å; S600-N604 WeakPolarHBondContact O-CB 3.46Å; S600-N604 PolarHBondContact O-N 2.99Å; S600-N604 PolarHBondContact O-ND2 3.42Å |
| 601 | Y | 97.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 175.2 | -68.6 | -4.4 | 0 | 0 | 0 | 112.4 | A113 Q116 L593 L597 L598 N599 N604 E605 | A113-Y601 HydrophobicContact CB-CE2 3.62Å; Q116-Y601 VanDerWaalsContact CD-CD1 3.45Å; Q116-Y601 HydrophobicContact CG-CD1 3.82Å; Q116-Y601 HydrophobicContact CG-CD2 3.56Å; Q116-Y601 HydrophobicContact CG-CE1 4.2Å; Q116-Y601 HydrophobicContact CG-CE2 3.97Å; Q116-Y601 HydrophobicContact CG-CG 3.48Å; Q116-Y601 VanDerWaalsContact CG-CG 3.48Å; L593-Y601 HydrophobicContact CD1-CD2 3.71Å; L593-Y601 HydrophobicContact CD1-CE2 3.59Å; L593-Y601 HydrophobicContact CD2-CE2 4.25Å; L597-Y601 HydrophobicContact CD1-CD1 4.25Å; L597-Y601 HydrophobicContact CD1-CE1 3.53Å; L597-Y601 HydrophobicContact CG-CE1 4.04Å; L597-Y601 HydrophobicContact CG-CE2 4.18Å; L597-Y601 WeakPolarHBondContact O-CD1 3.35Å; L597-Y601 VanDerWaalsContact O-CG 3.32Å; L597-Y601 PolarHBondContact O-N 3.02Å; L598-Y601 PolarHBondContact O-N 3.18Å; N599-Y601 VanDerWaalsContact C-N 3.32Å; N599-Y601 PolarHBondContact O-N 2.75Å; Y601-N604 PolarHBondContact O-N 2.92Å; Y601-E605 PolarHBondContact O-N 2.73Å |
| 602 | I | 97.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 172.7 | -67.1 | 160.1 | 0 | 0 | 0 | 110.9 | Q161 V162 L598 N599 N604 E605 G606 | Q161-I602 WeakPolarHBondContact O-CG1 3.5Å; V162-I602 HydrophobicContact CG2-CG1 4.5Å; L598-I602 HydrophobicContact CG-CD1 4.37Å; L598-I602 WeakPolarHBondContact O-CG1 3.48Å; L598-I602 PolarHBondContact O-N 2.86Å; N599-I602 PolarHBondContact O-N 2.71Å; I602-N604 VanDerWaalsContact C-N 3.33Å; I602-N604 PolarHBondContact O-N 3.41Å; I602-E605 PolarHBondContact O-N 3Å; I602-G606 PolarHBondContact O-N 2.69Å |
| 603 | E | 97.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 61.4 Ų | 61.4 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 179.3 | -163.3 | -157 | 156 | 0 | 0 | 111.7 | N599 S600 G606 K607 | N599-E603 PolarHBondContact O-N 3.12Å; S600-E603 PolarHBondContact O-N 2.82Å; E603-G606 PolarHBondContact O-N 3.18Å; E603-K607 WeakPolarHBondContact O-CG 3.38Å; E603-K607 PolarHBondContact O-N 3.07Å; E603-K607 WeakPolarHBondContact OE1-CE 3.4Å; E603-K607 IonicContact OE1-NZ 2.75Å; E603-K607 PolarHBondContact OE1-NZ 2.86Å; E603-K607 IonicContact OE2-NZ 2.86Å |
| 604 | N | 96.9 | Very high | 96 | Very high | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 178.1 | -71.6 | -32.9 | 0 | 0 | 0 | 112.6 | S600 Y601 I602 K607 M608 | S600-N604 WeakPolarHBondContact O-CB 3.46Å; S600-N604 PolarHBondContact O-N 2.99Å; S600-N604 PolarHBondContact O-ND2 3.42Å; Y601-N604 PolarHBondContact O-N 2.92Å; I602-N604 VanDerWaalsContact C-N 3.33Å; I602-N604 PolarHBondContact O-N 3.41Å; N604-K607 PolarHBondContact O-N 3.37Å; N604-M608 WeakPolarHBondContact O-CE 3.42Å; N604-M608 WeakPolarHBondContact O-CG 3.38Å; N604-M608 PolarHBondContact O-N 2.99Å |
| 605 | E | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 171.4 | -175.8 | 56 | -143.1 | 0 | 0 | 111.1 | R46 V162 Y601 I602 K607 M608 I609 | R46-E605 IonicContact CZ-OE1 2.67Å; R46-E605 VanDerWaalsContact CZ-OE1 3.25Å; R46-E605 IonicContact CZ-OE2 3.67Å; R46-E605 IonicContact NH1-OE1 3.45Å; R46-E605 PolarHBondContact NH1-OE1 2.83Å; R46-E605 IonicContact NH1-OE2 3.36Å; R46-E605 PolarHBondContact NH1-OE2 3.32Å; R46-E605 IonicContact NH2-OE1 3.83Å; R46-E605 PolarHBondContact NH2-OE1 2.85Å; V162-E605 HydrophobicContact CG1-CB 3.77Å; V162-E605 HydrophobicContact CG1-CG 4.14Å; Y601-E605 PolarHBondContact O-N 2.73Å; I602-E605 PolarHBondContact O-N 3Å; E605-K607 VanDerWaalsContact C-N 3.33Å; E605-K607 PolarHBondContact O-N 2.89Å; E605-M608 PolarHBondContact O-N 3.06Å; E605-M608 VanDerWaalsContact O-N 3.12Å; E605-M608 WeakPolarHBondContact OE2-CE 3.41Å; E605-I609 HydrophobicContact CG-CD1 3.92Å; E605-I609 HydrophobicContact CG-CG1 4.42Å; E605-I609 WeakPolarHBondContact O-CG1 3.32Å; E605-I609 PolarHBondContact O-N 3.46Å; E605-I609 WeakPolarHBondContact OE1-CG1 3.47Å |
| 606 | G | 97.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I602 E603 M610 | I602-G606 PolarHBondContact O-N 2.69Å; E603-G606 PolarHBondContact O-N 3.18Å; G606-M610 WeakPolarHBondContact O-CB 3.35Å; G606-M610 PolarHBondContact O-N 2.78Å |
| 607 | K | 97.2 | Very high | 96.4 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 173.6 | -71 | 167.1 | -171.6 | 162.6 | 0 | 112.2 | E603 N604 E605 M610 Q611 | E603-K607 WeakPolarHBondContact O-CG 3.38Å; E603-K607 PolarHBondContact O-N 3.07Å; E603-K607 WeakPolarHBondContact OE1-CE 3.4Å; E603-K607 IonicContact OE1-NZ 2.75Å; E603-K607 PolarHBondContact OE1-NZ 2.86Å; E603-K607 IonicContact OE2-NZ 2.86Å; N604-K607 PolarHBondContact O-N 3.37Å; E605-K607 VanDerWaalsContact C-N 3.33Å; E605-K607 PolarHBondContact O-N 2.89Å; K607-M610 PolarHBondContact O-N 3.44Å; K607-Q611 PolarHBondContact O-N 2.91Å |
| 608 | M | 97.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 179.5 | -67.8 | -176.5 | -68 | 0 | 0 | 112.2 | R46 Y105 F112 M120 N604 E605 M610 Q611 D612 | R46-M608 VanDerWaalsContact CZ-CB 3.45Å; Y105-M608 HydrophobicContact CD1-SD 4.4Å; Y105-M608 HydrophobicContact CE1-CG 3.86Å; Y105-M608 HydrophobicContact CE1-SD 3.81Å; F112-M608 HydrophobicContact CE1-CE 3.93Å; F112-M608 HydrophobicContact CE1-SD 3.72Å; F112-M608 HydrophobicContact CZ-SD 3.97Å; M120-M608 HydrophobicContact CE-CE 3.91Å; M120-M608 HydrophobicContact CE-SD 4.25Å; N604-M608 WeakPolarHBondContact O-CE 3.42Å; N604-M608 WeakPolarHBondContact O-CG 3.38Å; N604-M608 PolarHBondContact O-N 2.99Å; E605-M608 PolarHBondContact O-N 3.06Å; E605-M608 VanDerWaalsContact O-N 3.12Å; E605-M608 WeakPolarHBondContact OE2-CE 3.41Å; M608-M610 VanDerWaalsContact C-N 3.29Å; M608-M610 PolarHBondContact O-N 2.81Å; M608-Q611 WeakPolarHBondContact O-CB 3.31Å; M608-Q611 PolarHBondContact O-N 2.98Å; M608-D612 PolarHBondContact O-N 2.85Å; M608-D612 VanDerWaalsContact O-OD2 3.12Å |
| 609 | I | 97.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 172.9 | -67.5 | 169.4 | 0 | 0 | 0 | 111.1 | A123 E605 K613 | A123-I609 HydrophobicContact CB-CD1 4.2Å; E605-I609 HydrophobicContact CG-CD1 3.92Å; E605-I609 HydrophobicContact CG-CG1 4.42Å; E605-I609 WeakPolarHBondContact O-CG1 3.32Å; E605-I609 PolarHBondContact O-N 3.46Å; E605-I609 WeakPolarHBondContact OE1-CG1 3.47Å; I609-K613 WeakPolarHBondContact O-CB 3.35Å; I609-K613 PolarHBondContact O-N 2.93Å |
| 610 | M | 96.3 | Very high | 96.5 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 48% | 0.483 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.3 | -171.8 | 63.2 | -176.7 | 0 | 0 | 112.1 | G606 K607 M608 K613 L614 | G606-M610 WeakPolarHBondContact O-CB 3.35Å; G606-M610 PolarHBondContact O-N 2.78Å; K607-M610 PolarHBondContact O-N 3.44Å; M608-M610 VanDerWaalsContact C-N 3.29Å; M608-M610 PolarHBondContact O-N 2.81Å; M610-K613 PolarHBondContact O-N 3.07Å; M610-L614 HydrophobicContact CE-CD1 4.14Å; M610-L614 HydrophobicContact CE-CD2 4.08Å; M610-L614 HydrophobicContact CE-CG 4.04Å; M610-L614 HydrophobicContact CG-CD1 4.2Å; M610-L614 WeakPolarHBondContact O-CB 3.4Å; M610-L614 VanDerWaalsContact O-CG 3.3Å; M610-L614 WeakPolarHBondContact O-CG 3.23Å; M610-L614 PolarHBondContact O-N 3Å |
| 611 | Q | 96.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 59.7 Ų | 59.7 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 174 | 175 | 60 | 23.3 | 0 | 0 | 111.9 | R44 L106 K607 M608 K613 L614 E615 | R44-Q611 WeakPolarHBondContact O-CG 3.39Å; R44-Q611 PolarHBondContact O-NE2 3.07Å; L106-Q611 HydrophobicContact CD1-CG 4.44Å; L106-Q611 HydrophobicContact CD2-CG 4.23Å; K607-Q611 PolarHBondContact O-N 2.91Å; M608-Q611 WeakPolarHBondContact O-CB 3.31Å; M608-Q611 PolarHBondContact O-N 2.98Å; Q611-K613 VanDerWaalsContact C-N 3.26Å; Q611-K613 PolarHBondContact O-N 3.43Å; Q611-L614 PolarHBondContact O-N 3.25Å; Q611-E615 PolarHBondContact O-N 2.93Å; Q611-E615 VanDerWaalsContact O-N 3.07Å |
| 612 | D | 96.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 176.4 | -66.4 | -36.6 | 0 | 0 | 0 | 111.2 | T45 R46 M608 K616 | T45-D612 WeakPolarHBondContact CA-OD1 3.48Å; T45-D612 WeakPolarHBondContact CB-OD1 3.43Å; R46-D612 IonicContact CZ-OD2 2.72Å; R46-D612 VanDerWaalsContact CZ-OD2 3.27Å; R46-D612 PolarHBondContact N-OD1 3.01Å; R46-D612 IonicContact NE-OD1 3.6Å; R46-D612 IonicContact NE-OD2 2.68Å; R46-D612 PolarHBondContact NE-OD2 3.31Å; R46-D612 IonicContact NH2-OD2 3.63Å; R46-D612 PolarHBondContact NH2-OD2 3.37Å; M608-D612 PolarHBondContact O-N 2.85Å; M608-D612 VanDerWaalsContact O-OD2 3.12Å; D612-K616 WeakPolarHBondContact O-CB 3.05Å; D612-K616 PolarHBondContact O-N 2.82Å; D612-K616 VanDerWaalsContact O-N 3.1Å |
| 613 | K | 95.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 61.1 Ų | 61.1 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 175.8 | 178.6 | 177.4 | 169.7 | -179.8 | 0 | 112.9 | I609 M610 Q611 K616 E617 | I609-K613 WeakPolarHBondContact O-CB 3.35Å; I609-K613 PolarHBondContact O-N 2.93Å; M610-K613 PolarHBondContact O-N 3.07Å; Q611-K613 VanDerWaalsContact C-N 3.26Å; Q611-K613 PolarHBondContact O-N 3.43Å; K613-K616 PolarHBondContact O-N 3.1Å; K613-E617 WeakPolarHBondContact CE-OE1 3.39Å; K613-E617 HydrophobicContact CG-CG 4.49Å; K613-E617 IonicContact NZ-OE1 2.71Å; K613-E617 WeakPolarHBondContact O-CG 3.36Å; K613-E617 PolarHBondContact O-N 3.3Å |
| 614 | L | 95.4 | Very high | 96.4 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | -178.5 | -78.4 | 170.4 | 0 | 0 | 0 | 112 | M610 Q611 E617 R618 | M610-L614 HydrophobicContact CE-CD1 4.14Å; M610-L614 HydrophobicContact CE-CD2 4.08Å; M610-L614 HydrophobicContact CE-CG 4.04Å; M610-L614 HydrophobicContact CG-CD1 4.2Å; M610-L614 WeakPolarHBondContact O-CB 3.4Å; M610-L614 VanDerWaalsContact O-CG 3.3Å; M610-L614 WeakPolarHBondContact O-CG 3.23Å; M610-L614 PolarHBondContact O-N 3Å; Q611-L614 PolarHBondContact O-N 3.25Å; L614-E617 PolarHBondContact O-N 3.15Å; L614-R618 PolarHBondContact O-N 3.34Å |
| 615 | E | 95.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.4 | -35.7 | 175.8 | -179 | 64.9 | -177.1 | 0 | 0 | 111.6 | R44 T45 Q611 R618 N619 | R44-E615 HydrophobicContact CB-CG 4.29Å; R44-E615 WeakPolarHBondContact CD-OE1 3.37Å; R44-E615 IonicContact NH1-OE1 2.64Å; R44-E615 PolarHBondContact NH1-OE1 3.08Å; R44-E615 IonicContact NH1-OE2 2.72Å; T45-E615 HydrophobicContact CG2-CB 3.42Å; T45-E615 VanDerWaalsContact CG2-CB 3.42Å; T45-E615 HydrophobicContact CG2-CG 3.53Å; Q611-E615 PolarHBondContact O-N 2.93Å; Q611-E615 VanDerWaalsContact O-N 3.07Å; E615-R618 VanDerWaalsContact CD-NE 3.3Å; E615-R618 WeakPolarHBondContact O-CB 3.28Å; E615-R618 PolarHBondContact O-N 3.25Å; E615-R618 IonicContact OE1-CZ 3.72Å; E615-R618 IonicContact OE1-NE 2.64Å; E615-R618 PolarHBondContact OE1-NE 3.41Å; E615-R618 IonicContact OE1-NH2 2.65Å; E615-R618 PolarHBondContact OE1-NH2 3.07Å; E615-R618 WeakPolarHBondContact OE2-CD 3.42Å; E615-R618 IonicContact OE2-CZ 3.18Å; E615-R618 IonicContact OE2-NE 3.24Å; E615-R618 PolarHBondContact OE2-NE 2.9Å; E615-R618 IonicContact OE2-NH2 2.76Å; E615-N619 PolarHBondContact O-N 3.44Å; E615-N619 PolarHBondContact O-ND2 3.46Å; E615-N619 VanDerWaalsContact O-ND2 3.15Å; E615-N619 PolarHBondContact OE1-ND2 2.87Å |
| 616 | K | 94.6 | Very high | 96.2 | Very high | 126 Ų | 126 | 57.2 Ų | 57.2 | 55% | 0.548 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 170.1 | 180 | 176.1 | 176 | 179.4 | 0 | 111.1 | D612 K613 R618 N619 D620 | D612-K616 WeakPolarHBondContact O-CB 3.05Å; D612-K616 PolarHBondContact O-N 2.82Å; D612-K616 VanDerWaalsContact O-N 3.1Å; K613-K616 PolarHBondContact O-N 3.1Å; K616-R618 PolarHBondContact O-N 2.79Å; K616-N619 PolarHBondContact O-N 3.37Å; K616-N619 VanDerWaalsContact O-N 3.15Å; K616-D620 VanDerWaalsContact CE-OD2 3.23Å; K616-D620 WeakPolarHBondContact CE-OD2 3.27Å; K616-D620 WeakPolarHBondContact CG-OD2 3.48Å; K616-D620 WeakPolarHBondContact O-CB 3.46Å; K616-D620 VanDerWaalsContact O-CG 3.26Å; K616-D620 PolarHBondContact O-N 2.91Å |
| 617 | E | 95.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -22 | 178.1 | -74.4 | -173 | -164 | 0 | 0 | 113.6 | K613 L614 A621 K672 | K613-E617 WeakPolarHBondContact CE-OE1 3.39Å; K613-E617 HydrophobicContact CG-CG 4.49Å; K613-E617 IonicContact NZ-OE1 2.71Å; K613-E617 WeakPolarHBondContact O-CG 3.36Å; K613-E617 PolarHBondContact O-N 3.3Å; L614-E617 PolarHBondContact O-N 3.15Å; E617-A621 WeakPolarHBondContact O-CB 3.36Å; E617-A621 PolarHBondContact O-N 3.5Å; E617-K672 HydrophobicContact CB-CD 4.02Å; E617-K672 WeakPolarHBondContact O-CD 3.28Å; E617-K672 WeakPolarHBondContact O-CE 3.45Å; E617-K672 IonicContact OE2-NZ 3.63Å; E617-K672 PolarHBondContact OE2-NZ 2.98Å |
| 618 | R | 96.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.8 | -47.2 | 171.2 | -168.1 | -170.9 | 76.7 | 75.1 | 7.7 | 111.4 | L614 E615 K616 A621 K622 D669 Q670 K672 Y675 | L614-R618 PolarHBondContact O-N 3.34Å; E615-R618 VanDerWaalsContact CD-NE 3.3Å; E615-R618 WeakPolarHBondContact O-CB 3.28Å; E615-R618 PolarHBondContact O-N 3.25Å; E615-R618 IonicContact OE1-CZ 3.72Å; E615-R618 IonicContact OE1-NE 2.64Å; E615-R618 PolarHBondContact OE1-NE 3.41Å; E615-R618 IonicContact OE1-NH2 2.65Å; E615-R618 PolarHBondContact OE1-NH2 3.07Å; E615-R618 WeakPolarHBondContact OE2-CD 3.42Å; E615-R618 IonicContact OE2-CZ 3.18Å; E615-R618 IonicContact OE2-NE 3.24Å; E615-R618 PolarHBondContact OE2-NE 2.9Å; E615-R618 IonicContact OE2-NH2 2.76Å; K616-R618 PolarHBondContact O-N 2.79Å; R618-A621 WeakPolarHBondContact O-CB 3.42Å; R618-A621 PolarHBondContact O-N 3.05Å; R618-K622 PolarHBondContact O-N 3.07Å; R618-D669 IonicContact CZ-OD1 2.69Å; R618-D669 IonicContact NH1-OD1 2.86Å; R618-D669 PolarHBondContact NH1-OD1 3.4Å; R618-D669 IonicContact NH2-OD1 3.84Å; R618-Q670 VanDerWaalsContact CD-O 3.28Å; R618-Q670 WeakPolarHBondContact CD-O 3.2Å; R618-Q670 WeakPolarHBondContact CG-O 3.18Å; R618-Q670 PolarHBondContact NH1-O 3.16Å; R618-Q670 VanDerWaalsContact NH1-O 3.08Å; R618-K672 HydrophobicContact CB-CB 4.31Å; R618-K672 HydrophobicContact CG-CB 4.27Å; R618-Y675 HydrophobicContact CG-CE2 4.22Å; R618-Y675 PolarHBondContact NH1-OH 3.45Å |
| 619 | N | 95.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 178.4 | -69 | -37.7 | 0 | 0 | 0 | 111.9 | E615 K616 A621 K622 N623 | E615-N619 PolarHBondContact O-N 3.44Å; E615-N619 PolarHBondContact O-ND2 3.46Å; E615-N619 VanDerWaalsContact O-ND2 3.15Å; E615-N619 PolarHBondContact OE1-ND2 2.87Å; K616-N619 PolarHBondContact O-N 3.37Å; K616-N619 VanDerWaalsContact O-N 3.15Å; N619-A621 PolarHBondContact O-N 2.89Å; N619-K622 PolarHBondContact O-N 3.23Å; N619-N623 WeakPolarHBondContact O-CB 3.41Å; N619-N623 PolarHBondContact O-N 2.98Å; N619-N623 PolarHBondContact O-OD1 3.33Å; N619-N623 VanDerWaalsContact O-OD1 3.09Å |
| 620 | D | 96 | Very high | 95.7 | Very high | 82 Ų | 82 | 58 Ų | 58 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.8 | -33.9 | 172.9 | -68.6 | -13.1 | 0 | 0 | 0 | 111 | K616 A624 | K616-D620 VanDerWaalsContact CE-OD2 3.23Å; K616-D620 WeakPolarHBondContact CE-OD2 3.27Å; K616-D620 WeakPolarHBondContact CG-OD2 3.48Å; K616-D620 WeakPolarHBondContact O-CB 3.46Å; K616-D620 VanDerWaalsContact O-CG 3.26Å; K616-D620 PolarHBondContact O-N 2.91Å; D620-A624 WeakPolarHBondContact O-CB 3.49Å; D620-A624 PolarHBondContact O-N 3.49Å; D620-A624 VanDerWaalsContact O-N 3.15Å |
| 621 | A | 96.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.9 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E617 R618 N619 A624 V625 K672 V676 | E617-A621 WeakPolarHBondContact O-CB 3.36Å; E617-A621 PolarHBondContact O-N 3.5Å; R618-A621 WeakPolarHBondContact O-CB 3.42Å; R618-A621 PolarHBondContact O-N 3.05Å; N619-A621 PolarHBondContact O-N 2.89Å; A621-A624 PolarHBondContact O-N 3.31Å; A621-V625 PolarHBondContact O-N 3.17Å; A621-K672 HydrophobicContact CB-CG 3.95Å; A621-V676 HydrophobicContact CB-CG2 4.33Å |
| 622 | K | 96.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -51.5 | 172.1 | -173.6 | -179.7 | -177.6 | 177.2 | 0 | 110.5 | R618 N619 A624 V625 E626 L663 E668 Y675 | R618-K622 PolarHBondContact O-N 3.07Å; N619-K622 PolarHBondContact O-N 3.23Å; K622-A624 PolarHBondContact O-N 3.48Å; K622-V625 WeakPolarHBondContact O-CB 3.37Å; K622-V625 PolarHBondContact O-N 2.85Å; K622-E626 PolarHBondContact O-N 3.3Å; K622-E626 VanDerWaalsContact O-N 3.1Å; K622-L663 WeakPolarHBondContact CE-O 3.38Å; K622-L663 HydrophobicContact CG-CD2 3.84Å; K622-L663 PolarHBondContact NZ-O 3.09Å; K622-E668 PolarHBondContact NZ-O 3.08Å; K622-Y675 HydrophobicContact CB-CD1 4.21Å; K622-Y675 HydrophobicContact CB-CD2 3.93Å; K622-Y675 HydrophobicContact CB-CE1 4.06Å; K622-Y675 HydrophobicContact CB-CE2 3.75Å; K622-Y675 HydrophobicContact CB-CG 4.17Å; K622-Y675 HydrophobicContact CD-CE1 4.25Å; K622-Y675 HydrophobicContact CG-CD1 4.21Å; K622-Y675 HydrophobicContact CG-CE1 3.76Å; K622-Y675 HydrophobicContact CG-CE2 4.25Å |
| 623 | N | 96.3 | Very high | 95 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.2 | -35.2 | 179.7 | -62.3 | 4.8 | 0 | 0 | 0 | 111.5 | N619 V625 E626 E627 | N619-N623 WeakPolarHBondContact O-CB 3.41Å; N619-N623 PolarHBondContact O-N 2.98Å; N619-N623 PolarHBondContact O-OD1 3.33Å; N619-N623 VanDerWaalsContact O-OD1 3.09Å; N623-V625 VanDerWaalsContact C-N 3.3Å; N623-V625 PolarHBondContact O-N 3.47Å; N623-E626 PolarHBondContact O-N 3.44Å; N623-E627 VanDerWaalsContact O-CB 3.29Å; N623-E627 WeakPolarHBondContact O-CB 3.5Å; N623-E627 PolarHBondContact O-N 3.32Å |
| 624 | A | 96.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72 | -16.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D620 A621 K622 Y628 L679 | D620-A624 WeakPolarHBondContact O-CB 3.49Å; D620-A624 PolarHBondContact O-N 3.49Å; D620-A624 VanDerWaalsContact O-N 3.15Å; A621-A624 PolarHBondContact O-N 3.31Å; K622-A624 PolarHBondContact O-N 3.48Å; A624-Y628 WeakPolarHBondContact O-CB 3.34Å; A624-L679 HydrophobicContact CB-CD2 3.97Å; A624-L679 WeakPolarHBondContact O-CD1 3.41Å |
| 625 | V | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.6 | -48.8 | 165.3 | -175 | 0 | 0 | 0 | 0 | 109.3 | A621 K622 N623 Y628 V629 T659 L663 Y675 L679 L682 | A621-V625 PolarHBondContact O-N 3.17Å; K622-V625 WeakPolarHBondContact O-CB 3.37Å; K622-V625 PolarHBondContact O-N 2.85Å; N623-V625 VanDerWaalsContact C-N 3.3Å; N623-V625 PolarHBondContact O-N 3.47Å; V625-Y628 PolarHBondContact O-N 3.46Å; V625-V629 HydrophobicContact CG1-CG2 4.34Å; V625-V629 WeakPolarHBondContact O-CG2 3.42Å; V625-V629 PolarHBondContact O-N 3.1Å; V625-T659 HydrophobicContact CG1-CG2 3.89Å; V625-L663 HydrophobicContact CB-CD1 4.37Å; V625-L663 HydrophobicContact CB-CD2 4.33Å; V625-L663 HydrophobicContact CG1-CD1 4.01Å; V625-L663 HydrophobicContact CG1-CD2 4.35Å; V625-L663 HydrophobicContact CG1-CG 4.47Å; V625-Y675 HydrophobicContact CG2-CD1 4.43Å; V625-Y675 VanDerWaalsContact CG2-O 3.29Å; V625-Y675 WeakPolarHBondContact CG2-O 3.49Å; V625-L679 HydrophobicContact CG2-CB 4.12Å; V625-L682 HydrophobicContact CG1-CD1 4.12Å |
| 626 | E | 95.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | -178.1 | -169.4 | 171.1 | -158.4 | 0 | 0 | 112.2 | K622 N623 Y628 V629 Y630 L663 Y664 | K622-E626 PolarHBondContact O-N 3.3Å; K622-E626 VanDerWaalsContact O-N 3.1Å; N623-E626 PolarHBondContact O-N 3.44Å; E626-Y628 VanDerWaalsContact C-N 3.32Å; E626-Y628 PolarHBondContact O-N 2.86Å; E626-V629 PolarHBondContact O-N 2.75Å; E626-V629 VanDerWaalsContact O-N 3.17Å; E626-Y630 HydrophobicContact CG-CD2 3.92Å; E626-Y630 HydrophobicContact CG-CE2 3.59Å; E626-Y630 WeakPolarHBondContact O-CD2 3.46Å; E626-Y630 PolarHBondContact O-N 2.77Å; E626-L663 HydrophobicContact CB-CD1 4Å; E626-L663 HydrophobicContact CG-CD1 4.45Å; E626-Y664 PolarHBondContact OE1-OH 2.93Å |
| 627 | E | 96.2 | Very high | 93.4 | Very high | 144 Ų | 144 | 52.8 Ų | 52.8 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -56.1 | -44.4 | 174.3 | -177.8 | -176 | -171.7 | 0 | 0 | 111.7 | N623 Y630 D631 | N623-E627 VanDerWaalsContact O-CB 3.29Å; N623-E627 WeakPolarHBondContact O-CB 3.5Å; N623-E627 PolarHBondContact O-N 3.32Å; E627-Y630 PolarHBondContact O-N 2.97Å; E627-D631 VanDerWaalsContact O-CB 3.27Å; E627-D631 WeakPolarHBondContact O-CB 3.33Å; E627-D631 PolarHBondContact O-N 3.47Å |
| 628 | Y | 95.6 | Very high | 92.9 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 178.7 | -176.3 | -82.1 | 0 | 0 | 0 | 111.7 | A624 V625 E626 F632 L679 L682 K683 G686 | A624-Y628 WeakPolarHBondContact O-CB 3.34Å; V625-Y628 PolarHBondContact O-N 3.46Å; E626-Y628 VanDerWaalsContact C-N 3.32Å; E626-Y628 PolarHBondContact O-N 2.86Å; Y628-F632 HydrophobicContact CD1-CB 4.48Å; Y628-F632 HydrophobicContact CE1-CB 4.25Å; Y628-F632 AromaticContact CE1-CD2 3.93Å; Y628-F632 HydrophobicContact CE1-CD2 3.93Å; Y628-F632 HydrophobicContact CE1-CG 4.28Å; Y628-F632 HydrophobicContact CE2-CD2 4.15Å; Y628-F632 AromaticContact CZ-CD2 3.6Å; Y628-F632 WeakPolarHBondContact O-CB 3.43Å; Y628-F632 PolarHBondContact O-N 3.03Å; Y628-F632 WeakPolarHBondContact OH-CD2 3.49Å; Y628-L679 HydrophobicContact CD1-CD1 4.23Å; Y628-L679 HydrophobicContact CD2-CD1 4Å; Y628-L679 HydrophobicContact CG-CD1 3.7Å; Y628-L682 HydrophobicContact CD1-CB 4.06Å; Y628-L682 HydrophobicContact CD1-CD1 3.87Å; Y628-L682 HydrophobicContact CE1-CB 3.66Å; Y628-L682 HydrophobicContact CE1-CD1 4.26Å; Y628-L682 PolarHBondContact OH-O 2.62Å; Y628-K683 HydrophobicContact CD2-CG 4.41Å; Y628-K683 HydrophobicContact CE2-CD 4.29Å; Y628-K683 HydrophobicContact CE2-CG 3.63Å; Y628-G686 WeakPolarHBondContact OH-CA 3.37Å |
| 629 | V | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | V625 E626 R633 L656 T659 E660 L682 | V625-V629 HydrophobicContact CG1-CG2 4.34Å; V625-V629 WeakPolarHBondContact O-CG2 3.42Å; V625-V629 PolarHBondContact O-N 3.1Å; E626-V629 PolarHBondContact O-N 2.75Å; E626-V629 VanDerWaalsContact O-N 3.17Å; V629-R633 VanDerWaalsContact O-CB 3.32Å; V629-R633 WeakPolarHBondContact O-CB 3.45Å; V629-R633 PolarHBondContact O-N 3.23Å; V629-R633 VanDerWaalsContact O-N 3.07Å; V629-L656 HydrophobicContact CB-CD2 4.4Å; V629-L656 HydrophobicContact CG1-CB 4.37Å; V629-L656 HydrophobicContact CG1-CD2 4.39Å; V629-L656 HydrophobicContact CG2-CD2 4.07Å; V629-T659 HydrophobicContact CG2-CG2 4.14Å; V629-E660 HydrophobicContact CG1-CB 4.16Å; V629-L682 HydrophobicContact CG2-CD1 3.66Å |
| 630 | Y | 92.7 | Very high | 92.2 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.2 | -50 | 178.7 | -74.7 | -61.2 | 0 | 0 | 0 | 113 | E626 E627 F632 R633 D634 E660 Y664 | E626-Y630 HydrophobicContact CG-CD2 3.92Å; E626-Y630 HydrophobicContact CG-CE2 3.59Å; E626-Y630 WeakPolarHBondContact O-CD2 3.46Å; E626-Y630 PolarHBondContact O-N 2.77Å; E627-Y630 PolarHBondContact O-N 2.97Å; Y630-F632 PolarHBondContact O-N 3.39Å; Y630-R633 PolarHBondContact O-N 2.98Å; Y630-D634 PolarHBondContact O-N 2.85Å; Y630-D634 VanDerWaalsContact O-N 3.16Å; Y630-E660 WeakPolarHBondContact CE1-OE1 3.47Å; Y630-E660 PolarHBondContact OH-OE1 2.73Å; Y630-Y664 PolarHBondContact OH-OH 2.96Å |
| 631 | D | 92 | Very high | 91.8 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 178.7 | 178.7 | 86.3 | 0 | 0 | 0 | 111.8 | E627 R635 | E627-D631 VanDerWaalsContact O-CB 3.27Å; E627-D631 WeakPolarHBondContact O-CB 3.33Å; E627-D631 PolarHBondContact O-N 3.47Å; D631-R635 WeakPolarHBondContact O-CB 3.38Å; D631-R635 VanDerWaalsContact O-CG 3.25Å; D631-R635 WeakPolarHBondContact O-CG 3.36Å; D631-R635 PolarHBondContact O-N 2.79Å; D631-R635 VanDerWaalsContact O-N 3.1Å; D631-R635 IonicContact OD1-CZ 2.61Å; D631-R635 IonicContact OD1-NE 3.17Å; D631-R635 PolarHBondContact OD1-NE 3.16Å; D631-R635 IonicContact OD1-NH2 2.66Å; D631-R635 PolarHBondContact OD1-NH2 3.37Å; D631-R635 WeakPolarHBondContact OD2-CD 3.47Å; D631-R635 IonicContact OD2-CZ 2.64Å; D631-R635 IonicContact OD2-NE 2.62Å; D631-R635 PolarHBondContact OD2-NE 2.94Å; D631-R635 IonicContact OD2-NH2 2.83Å |
| 632 | F | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71 | -35.5 | -177.5 | -148.8 | -72.7 | 0 | 0 | 0 | 112.2 | Y628 Y630 L636 Y640 L652 L656 G686 I689 Q690 | Y628-F632 HydrophobicContact CD1-CB 4.48Å; Y628-F632 HydrophobicContact CE1-CB 4.25Å; Y628-F632 AromaticContact CE1-CD2 3.93Å; Y628-F632 HydrophobicContact CE1-CD2 3.93Å; Y628-F632 HydrophobicContact CE1-CG 4.28Å; Y628-F632 HydrophobicContact CE2-CD2 4.15Å; Y628-F632 AromaticContact CZ-CD2 3.6Å; Y628-F632 WeakPolarHBondContact O-CB 3.43Å; Y628-F632 PolarHBondContact O-N 3.03Å; Y628-F632 WeakPolarHBondContact OH-CD2 3.49Å; Y630-F632 PolarHBondContact O-N 3.39Å; F632-L636 HydrophobicContact CD1-CD1 3.71Å; F632-L636 HydrophobicContact CD1-CD2 4.47Å; F632-L636 HydrophobicContact CD1-CG 3.72Å; F632-L636 HydrophobicContact CE1-CD1 4Å; F632-L636 HydrophobicContact CE1-CD2 4Å; F632-L636 HydrophobicContact CE1-CG 3.75Å; F632-L636 WeakPolarHBondContact O-CB 3.28Å; F632-L636 WeakPolarHBondContact O-CG 3.48Å; F632-L636 PolarHBondContact O-N 3.43Å; F632-Y640 HydrophobicContact CD1-CD2 4.49Å; F632-Y640 HydrophobicContact CD2-CE2 4.35Å; F632-Y640 AromaticContact CE1-CD2 4Å; F632-Y640 HydrophobicContact CE1-CD2 4Å; F632-Y640 HydrophobicContact CE1-CE2 4.4Å; F632-Y640 HydrophobicContact CE2-CD2 4.41Å; F632-Y640 HydrophobicContact CE2-CE2 4.05Å; F632-Y640 AromaticContact CZ-CD2 3.94Å; F632-Y640 HydrophobicContact CZ-CD2 3.94Å; F632-Y640 HydrophobicContact CZ-CE2 4.03Å; F632-L652 HydrophobicContact CD1-CD2 4.21Å; F632-L652 HydrophobicContact CE1-CD2 3.62Å; F632-L652 HydrophobicContact CZ-CD2 4.31Å; F632-L656 HydrophobicContact CB-CD1 4.38Å; F632-L656 HydrophobicContact CD1-CD1 4.15Å; F632-G686 WeakPolarHBondContact CZ-O 3.15Å; F632-I689 HydrophobicContact CE1-CD1 4.1Å; F632-I689 HydrophobicContact CZ-CB 4.23Å; F632-I689 HydrophobicContact CZ-CD1 3.96Å; F632-Q690 HydrophobicContact CE2-CG 3.73Å; F632-Q690 HydrophobicContact CZ-CG 4.37Å |
| 633 | R | 90.4 | Very high | 91 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 176 | -179.8 | 167.3 | 62.9 | -171.5 | -10.8 | 112.2 | V629 Y630 R635 L636 E660 | V629-R633 VanDerWaalsContact O-CB 3.32Å; V629-R633 WeakPolarHBondContact O-CB 3.45Å; V629-R633 PolarHBondContact O-N 3.23Å; V629-R633 VanDerWaalsContact O-N 3.07Å; Y630-R633 PolarHBondContact O-N 2.98Å; R633-R635 VanDerWaalsContact C-N 3.34Å; R633-R635 PolarHBondContact O-N 3.13Å; R633-L636 PolarHBondContact O-N 3.17Å; R633-E660 IonicContact CZ-OE1 3.96Å; R633-E660 IonicContact CZ-OE2 2.69Å; R633-E660 IonicContact NH1-OE2 3.2Å; R633-E660 PolarHBondContact NH1-OE2 3.33Å; R633-E660 VanDerWaalsContact NH2-CD 3.27Å; R633-E660 IonicContact NH2-OE1 2.75Å; R633-E660 PolarHBondContact NH2-OE1 2.94Å; R633-E660 IonicContact NH2-OE2 3.74Å; R633-E660 PolarHBondContact NH2-OE2 3.5Å |
| 634 | D | 90.6 | Very high | 90.6 | Very high | 113 Ų | 113 | 55.4 Ų | 55.4 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 176.8 | -179.2 | 72.9 | 0 | 0 | 0 | 111.7 | Y630 L636 G637 T638 | Y630-D634 PolarHBondContact O-N 2.85Å; Y630-D634 VanDerWaalsContact O-N 3.16Å; D634-L636 PolarHBondContact O-N 3.1Å; D634-G637 PolarHBondContact O-N 2.76Å; D634-T638 PolarHBondContact O-OG1 2.94Å |
| 635 | R | 89.9 | Confident | 90.2 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69 | -31.7 | 178.4 | -67.6 | -177.9 | -161.7 | -81.6 | -8.1 | 113.8 | D631 R633 G637 T638 V639 Y640 | D631-R635 WeakPolarHBondContact O-CB 3.38Å; D631-R635 VanDerWaalsContact O-CG 3.25Å; D631-R635 WeakPolarHBondContact O-CG 3.36Å; D631-R635 PolarHBondContact O-N 2.79Å; D631-R635 VanDerWaalsContact O-N 3.1Å; D631-R635 IonicContact OD1-CZ 2.61Å; D631-R635 IonicContact OD1-NE 3.17Å; D631-R635 PolarHBondContact OD1-NE 3.16Å; D631-R635 IonicContact OD1-NH2 2.66Å; D631-R635 PolarHBondContact OD1-NH2 3.37Å; D631-R635 WeakPolarHBondContact OD2-CD 3.47Å; D631-R635 IonicContact OD2-CZ 2.64Å; D631-R635 IonicContact OD2-NE 2.62Å; D631-R635 PolarHBondContact OD2-NE 2.94Å; D631-R635 IonicContact OD2-NH2 2.83Å; R633-R635 VanDerWaalsContact C-N 3.34Å; R633-R635 PolarHBondContact O-N 3.13Å; R635-G637 VanDerWaalsContact C-N 3.34Å; R635-G637 PolarHBondContact O-N 3.49Å; R635-T638 WeakPolarHBondContact CA-OG1 3.3Å; R635-T638 PolarHBondContact O-N 3.4Å; R635-T638 PolarHBondContact O-OG1 3.45Å; R635-V639 HydrophobicContact CB-CG2 3.69Å; R635-V639 HydrophobicContact CG-CG2 3.8Å; R635-V639 PolarHBondContact O-N 2.86Å; R635-Y640 HydrophobicContact CB-CD2 3.45Å; R635-Y640 VanDerWaalsContact CB-CD2 3.45Å; R635-Y640 HydrophobicContact CB-CE2 3.39Å; R635-Y640 HydrophobicContact CB-CG 4.08Å; R635-Y640 VanDerWaalsContact CD-CZ 3.46Å; R635-Y640 WeakPolarHBondContact CD-OH 3.45Å; R635-Y640 HydrophobicContact CG-CE2 4.12Å; R635-Y640 WeakPolarHBondContact O-CB 3.4Å; R635-Y640 PolarHBondContact O-N 2.85Å |
| 636 | L | 87.4 | Confident | 89.7 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.6 | -88.6 | 169.4 | 0 | 0 | 0 | 112.2 | F632 R633 D634 T638 E641 I644 M649 L652 L656 | F632-L636 HydrophobicContact CD1-CD1 3.71Å; F632-L636 HydrophobicContact CD1-CD2 4.47Å; F632-L636 HydrophobicContact CD1-CG 3.72Å; F632-L636 HydrophobicContact CE1-CD1 4Å; F632-L636 HydrophobicContact CE1-CD2 4Å; F632-L636 HydrophobicContact CE1-CG 3.75Å; F632-L636 WeakPolarHBondContact O-CB 3.28Å; F632-L636 WeakPolarHBondContact O-CG 3.48Å; F632-L636 PolarHBondContact O-N 3.43Å; R633-L636 PolarHBondContact O-N 3.17Å; D634-L636 PolarHBondContact O-N 3.1Å; L636-T638 PolarHBondContact O-N 3.37Å; L636-E641 WeakPolarHBondContact O-CA 3.44Å; L636-E641 PolarHBondContact O-N 3.13Å; L636-I644 HydrophobicContact CD2-CD1 3.68Å; L636-I644 HydrophobicContact CD2-CG2 4.49Å; L636-M649 HydrophobicContact CD2-CG 4.45Å; L636-L652 HydrophobicContact CD1-CD2 4.16Å; L636-L652 HydrophobicContact CD1-CG 4.08Å; L636-L652 HydrophobicContact CD2-CD2 4.43Å; L636-L656 HydrophobicContact CD1-CD1 3.56Å |
| 637 | G | 78.8 | Confident | 89.4 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D634 R635 | D634-G637 PolarHBondContact O-N 2.76Å; R635-G637 VanDerWaalsContact C-N 3.34Å; R635-G637 PolarHBondContact O-N 3.49Å |
| 638 | T | 85.8 | Confident | 88.9 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | -79.9 | -171.3 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | D634 R635 L636 | D634-T638 PolarHBondContact O-OG1 2.94Å; R635-T638 WeakPolarHBondContact CA-OG1 3.3Å; R635-T638 PolarHBondContact O-N 3.4Å; R635-T638 PolarHBondContact O-OG1 3.45Å; L636-T638 PolarHBondContact O-N 3.37Å |
| 639 | V | 87.9 | Confident | 88.5 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 30% | 0.303 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -27 | -173.2 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | R635 F643 Y693 | R635-V639 HydrophobicContact CB-CG2 3.69Å; R635-V639 HydrophobicContact CG-CG2 3.8Å; R635-V639 PolarHBondContact O-N 2.86Å; V639-F643 VanDerWaalsContact O-CD2 3.31Å; V639-F643 WeakPolarHBondContact O-CD2 3.47Å; V639-F643 WeakPolarHBondContact O-CE2 3.3Å; V639-Y693 HydrophobicContact CB-CE2 4.09Å |
| 640 | Y | 89.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -95.2 | -15.3 | -177.2 | -63.1 | -20.7 | 0 | 0 | 0 | 114.1 | F632 R635 K642 F643 I689 Q690 Y693 | F632-Y640 HydrophobicContact CD1-CD2 4.49Å; F632-Y640 HydrophobicContact CD2-CE2 4.35Å; F632-Y640 AromaticContact CE1-CD2 4Å; F632-Y640 HydrophobicContact CE1-CD2 4Å; F632-Y640 HydrophobicContact CE1-CE2 4.4Å; F632-Y640 HydrophobicContact CE2-CD2 4.41Å; F632-Y640 HydrophobicContact CE2-CE2 4.05Å; F632-Y640 AromaticContact CZ-CD2 3.94Å; F632-Y640 HydrophobicContact CZ-CD2 3.94Å; F632-Y640 HydrophobicContact CZ-CE2 4.03Å; R635-Y640 HydrophobicContact CB-CD2 3.45Å; R635-Y640 VanDerWaalsContact CB-CD2 3.45Å; R635-Y640 HydrophobicContact CB-CE2 3.39Å; R635-Y640 HydrophobicContact CB-CG 4.08Å; R635-Y640 VanDerWaalsContact CD-CZ 3.46Å; R635-Y640 WeakPolarHBondContact CD-OH 3.45Å; R635-Y640 HydrophobicContact CG-CE2 4.12Å; R635-Y640 WeakPolarHBondContact O-CB 3.4Å; R635-Y640 PolarHBondContact O-N 2.85Å; Y640-K642 PolarHBondContact O-N 3.46Å; Y640-F643 PolarHBondContact O-N 2.88Å; Y640-I689 HydrophobicContact CD1-CG2 4.39Å; Y640-I689 HydrophobicContact CD2-CG2 4.29Å; Y640-I689 HydrophobicContact CG-CG2 3.89Å; Y640-Q690 HydrophobicContact CE2-CG 3.99Å; Y640-Y693 HydrophobicContact CD1-CD1 4.47Å; Y640-Y693 HydrophobicContact CD1-CD2 4.34Å; Y640-Y693 AromaticContact CD1-CG 3.98Å; Y640-Y693 HydrophobicContact CD1-CG 3.98Å; Y640-Y693 AromaticContact CE1-CD1 3.75Å; Y640-Y693 HydrophobicContact CE1-CD1 3.75Å; Y640-Y693 HydrophobicContact CE1-CD2 4.37Å; Y640-Y693 HydrophobicContact CE1-CE1 4.45Å; Y640-Y693 AromaticContact CE1-CG 3.7Å; Y640-Y693 HydrophobicContact CE1-CG 3.7Å |
| 641 | E | 87.1 | Confident | 88.1 | Confident | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -43.5 | -42.9 | 176.9 | -174.6 | -162 | -149.9 | 0 | 0 | 112.6 | L636 F643 I644 | L636-E641 WeakPolarHBondContact O-CA 3.44Å; L636-E641 PolarHBondContact O-N 3.13Å; E641-F643 VanDerWaalsContact C-N 3.31Å; E641-F643 PolarHBondContact O-N 3.23Å; E641-I644 WeakPolarHBondContact O-CG2 3.23Å |
| 642 | K | 87.4 | Confident | 88.1 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -77.4 | -12.5 | -175.8 | -63.4 | 169.2 | -172.3 | 165.9 | 0 | 114.2 | Y640 L761 | Y640-K642 PolarHBondContact O-N 3.46Å; K642-L761 HydrophobicContact CB-CD1 4.09Å; K642-L761 WeakPolarHBondContact O-CB 3.46Å |
| 643 | F | 89.1 | Confident | 88 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.044 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -110.2 | 1.9 | -171.8 | -59.6 | -82.7 | 0 | 0 | 0 | 113.2 | V639 Y640 E641 I689 K692 Y693 H696 L761 | V639-F643 VanDerWaalsContact O-CD2 3.31Å; V639-F643 WeakPolarHBondContact O-CD2 3.47Å; V639-F643 WeakPolarHBondContact O-CE2 3.3Å; Y640-F643 PolarHBondContact O-N 2.88Å; E641-F643 VanDerWaalsContact C-N 3.31Å; E641-F643 PolarHBondContact O-N 3.23Å; F643-I689 HydrophobicContact CB-CG2 4.24Å; F643-K692 HydrophobicContact CB-CB 4.19Å; F643-K692 HydrophobicContact CD1-CB 4.07Å; F643-K692 HydrophobicContact CG-CB 4.49Å; F643-Y693 HydrophobicContact CD2-CD2 4.22Å; F643-Y693 AromaticContact CE2-CD2 3.72Å; F643-Y693 HydrophobicContact CE2-CD2 3.72Å; F643-Y693 HydrophobicContact CZ-CD2 4.19Å; F643-H696 HydrophobicContact CE1-CB 3.5Å; F643-H696 AromaticContact CE1-CG 3.69Å; F643-H696 HydrophobicContact CZ-CB 3.82Å; F643-H696 AromaticContact CZ-CG 3.7Å; F643-H696 AromaticContact CZ-ND1 3.9Å; F643-L761 HydrophobicContact CD1-CB 3.97Å; F643-L761 WeakPolarHBondContact CD1-O 3.32Å; F643-L761 HydrophobicContact CE1-CB 3.99Å; F643-L761 HydrophobicContact CE1-CD1 4.34Å; F643-L761 HydrophobicContact CE1-CD2 4.08Å; F643-L761 HydrophobicContact CE1-CG 4.36Å; F643-L761 HydrophobicContact CZ-CD1 4.4Å |
| 644 | I | 88.3 | Confident | 88.1 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -124.1 | 158 | -178.8 | -164.8 | 167.8 | 0 | 0 | 0 | 110.6 | L636 E641 D648 M649 L652 I689 T762 | L636-I644 HydrophobicContact CD2-CD1 3.68Å; L636-I644 HydrophobicContact CD2-CG2 4.49Å; E641-I644 WeakPolarHBondContact O-CG2 3.23Å; I644-D648 HydrophobicContact CD1-CB 4.42Å; I644-D648 HydrophobicContact CG1-CB 4.01Å; I644-M649 HydrophobicContact CD1-CB 3.97Å; I644-M649 HydrophobicContact CG1-CB 4.23Å; I644-M649 HydrophobicContact CG2-CB 3.93Å; I644-M649 HydrophobicContact CG2-CG 4.26Å; I644-M649 HydrophobicContact CG2-SD 4.42Å; I644-L652 HydrophobicContact CD1-CD2 4.38Å; I644-I689 HydrophobicContact CD1-CD1 3.58Å; I644-I689 HydrophobicContact CD1-CG1 4.27Å; I644-I689 HydrophobicContact CG1-CD1 4.27Å; I644-I689 HydrophobicContact CG1-CG1 4.45Å; I644-T762 WeakPolarHBondContact O-CG2 3.49Å |
| 645 | T | 88.3 | Confident | 88.3 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -83.4 | 152.5 | 170.1 | 78.7 | 0 | 0 | 0 | 0 | 109.9 | E647 D648 M649 | T645-E647 PolarHBondContact O-N 3.35Å; T645-D648 WeakPolarHBondContact CG2-OD2 3.44Å; T645-D648 PolarHBondContact O-N 3.39Å; T645-D648 WeakPolarHBondContact OG1-CB 3.39Å; T645-D648 PolarHBondContact OG1-N 3.09Å; T645-D648 PolarHBondContact OG1-OD2 3.32Å; T645-M649 VanDerWaalsContact O-CB 3.29Å; T645-M649 WeakPolarHBondContact O-CB 3.3Å; T645-M649 PolarHBondContact O-N 3Å | ||
| 646 | P | 85.7 | Confident | 88.5 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 62% | 0.623 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.6 | -31.7 | 175.6 | -26.3 | 35.6 | 0 | 0 | 0 | 113.4 | N650 | P646-N650 VanDerWaalsContact O-CG 3.23Å; P646-N650 PolarHBondContact O-N 3.5Å; P646-N650 VanDerWaalsContact O-N 3.14Å; P646-N650 PolarHBondContact O-ND2 3.07Å |
| 647 | E | 87.5 | Confident | 88.8 | Confident | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.1 | -46.5 | 175.7 | -64.2 | -177 | -163.4 | 0 | 0 | 112.2 | T645 M649 N650 K651 | T645-E647 PolarHBondContact O-N 3.35Å; E647-M649 VanDerWaalsContact C-N 3.32Å; E647-N650 PolarHBondContact O-N 3Å; E647-K651 WeakPolarHBondContact O-CE 3.34Å; E647-K651 VanDerWaalsContact O-CG 3.26Å; E647-K651 WeakPolarHBondContact O-CG 3.34Å; E647-K651 PolarHBondContact O-N 3.32Å; E647-K651 IonicContact OE2-NZ 2.66Å |
| 648 | D | 87.3 | Confident | 89.5 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.3 | -27.7 | -178.5 | -57.3 | -42.8 | 0 | 0 | 0 | 111.8 | I644 T645 K651 L652 | I644-D648 HydrophobicContact CD1-CB 4.42Å; I644-D648 HydrophobicContact CG1-CB 4.01Å; T645-D648 WeakPolarHBondContact CG2-OD2 3.44Å; T645-D648 PolarHBondContact O-N 3.39Å; T645-D648 WeakPolarHBondContact OG1-CB 3.39Å; T645-D648 PolarHBondContact OG1-N 3.09Å; T645-D648 PolarHBondContact OG1-OD2 3.32Å; D648-K651 IonicContact OD1-NZ 2.85Å; D648-K651 PolarHBondContact OD1-NZ 3.37Å; D648-L652 VanDerWaalsContact O-CB 3.28Å; D648-L652 WeakPolarHBondContact O-CB 3.4Å; D648-L652 PolarHBondContact O-N 3.08Å |
| 649 | M | 87.4 | Confident | 89.9 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -50.7 | 168.6 | -172.8 | -179.6 | 74.2 | 0 | 0 | 111.1 | L636 I644 T645 E647 K651 L652 S653 | L636-M649 HydrophobicContact CD2-CG 4.45Å; I644-M649 HydrophobicContact CD1-CB 3.97Å; I644-M649 HydrophobicContact CG1-CB 4.23Å; I644-M649 HydrophobicContact CG2-CB 3.93Å; I644-M649 HydrophobicContact CG2-CG 4.26Å; I644-M649 HydrophobicContact CG2-SD 4.42Å; T645-M649 VanDerWaalsContact O-CB 3.29Å; T645-M649 WeakPolarHBondContact O-CB 3.3Å; T645-M649 PolarHBondContact O-N 3Å; E647-M649 VanDerWaalsContact C-N 3.32Å; M649-K651 VanDerWaalsContact C-N 3.35Å; M649-K651 PolarHBondContact O-N 2.97Å; M649-L652 PolarHBondContact O-N 2.98Å; M649-S653 WeakPolarHBondContact O-CB 3.16Å; M649-S653 PolarHBondContact O-N 3.44Å; M649-S653 PolarHBondContact O-OG 3.46Å; M649-S653 VanDerWaalsContact O-OG 3.1Å |
| 650 | N | 88.5 | Confident | 90.2 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.4 | -69.8 | -14.1 | 0 | 0 | 0 | 111.8 | P646 E647 V654 | P646-N650 VanDerWaalsContact O-CG 3.23Å; P646-N650 PolarHBondContact O-N 3.5Å; P646-N650 VanDerWaalsContact O-N 3.14Å; P646-N650 PolarHBondContact O-ND2 3.07Å; E647-N650 PolarHBondContact O-N 3Å; N650-V654 WeakPolarHBondContact O-CG2 3.34Å; N650-V654 PolarHBondContact O-N 3.37Å |
| 651 | K | 89.8 | Confident | 90.5 | Very high | 102 Ų | 102 | 64.8 Ų | 64.8 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.7 | -66.9 | 162.9 | -147 | 160.8 | 0 | 111.7 | E647 D648 M649 V654 I655 | E647-K651 WeakPolarHBondContact O-CE 3.34Å; E647-K651 VanDerWaalsContact O-CG 3.26Å; E647-K651 WeakPolarHBondContact O-CG 3.34Å; E647-K651 PolarHBondContact O-N 3.32Å; E647-K651 IonicContact OE2-NZ 2.66Å; D648-K651 IonicContact OD1-NZ 2.85Å; D648-K651 PolarHBondContact OD1-NZ 3.37Å; M649-K651 VanDerWaalsContact C-N 3.35Å; M649-K651 PolarHBondContact O-N 2.97Å; K651-V654 PolarHBondContact O-N 2.95Å; K651-I655 VanDerWaalsContact O-CG1 3.31Å; K651-I655 WeakPolarHBondContact O-CG1 3.41Å; K651-I655 PolarHBondContact O-N 3.06Å; K651-I655 VanDerWaalsContact O-N 3.07Å |
| 652 | L | 90.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.4 | -36.1 | -176.4 | -173.7 | 53.5 | 0 | 0 | 0 | 112.5 | F632 L636 I644 D648 M649 V654 I655 L656 Y685 I689 | F632-L652 HydrophobicContact CD1-CD2 4.21Å; F632-L652 HydrophobicContact CE1-CD2 3.62Å; F632-L652 HydrophobicContact CZ-CD2 4.31Å; L636-L652 HydrophobicContact CD1-CD2 4.16Å; L636-L652 HydrophobicContact CD1-CG 4.08Å; L636-L652 HydrophobicContact CD2-CD2 4.43Å; I644-L652 HydrophobicContact CD1-CD2 4.38Å; D648-L652 VanDerWaalsContact O-CB 3.28Å; D648-L652 WeakPolarHBondContact O-CB 3.4Å; D648-L652 PolarHBondContact O-N 3.08Å; M649-L652 PolarHBondContact O-N 2.98Å; L652-V654 VanDerWaalsContact C-N 3.34Å; L652-V654 PolarHBondContact O-N 3.38Å; L652-I655 HydrophobicContact CD1-CB 4.44Å; L652-I655 HydrophobicContact CD1-CG2 4.47Å; L652-I655 PolarHBondContact O-N 3.05Å; L652-L656 HydrophobicContact CD1-CD1 4.48Å; L652-L656 HydrophobicContact CD1-CG 4.28Å; L652-L656 HydrophobicContact CG-CD1 4.16Å; L652-L656 HydrophobicContact CG-CG 4.45Å; L652-L656 WeakPolarHBondContact O-CB 3.42Å; L652-L656 VanDerWaalsContact O-CG 3.24Å; L652-L656 WeakPolarHBondContact O-CG 3.37Å; L652-L656 PolarHBondContact O-N 3.4Å; L652-Y685 HydrophobicContact CD1-CG 4.39Å; L652-I689 HydrophobicContact CD2-CD1 3.56Å |
| 653 | S | 90.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 172.2 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | M649 L656 E657 | M649-S653 WeakPolarHBondContact O-CB 3.16Å; M649-S653 PolarHBondContact O-N 3.44Å; M649-S653 PolarHBondContact O-OG 3.46Å; M649-S653 VanDerWaalsContact O-OG 3.1Å; S653-L656 PolarHBondContact O-N 2.9Å; S653-E657 WeakPolarHBondContact O-CB 3.28Å; S653-E657 PolarHBondContact O-N 3.04Å |
| 654 | V | 93.2 | Very high | 91.4 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | N650 K651 L652 L656 E657 D658 | N650-V654 WeakPolarHBondContact O-CG2 3.34Å; N650-V654 PolarHBondContact O-N 3.37Å; K651-V654 PolarHBondContact O-N 2.95Å; L652-V654 VanDerWaalsContact C-N 3.34Å; L652-V654 PolarHBondContact O-N 3.38Å; V654-L656 VanDerWaalsContact C-N 3.26Å; V654-L656 PolarHBondContact O-N 3.43Å; V654-E657 PolarHBondContact O-N 3.01Å; V654-D658 WeakPolarHBondContact O-CB 3.48Å; V654-D658 VanDerWaalsContact O-CG 3.29Å; V654-D658 PolarHBondContact O-N 3.03Å |
| 655 | I | 94.1 | Very high | 91.6 | Very high | 45 Ų | 45 | 67.6 Ų | 67.6 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 177 | -70.3 | 164.8 | 0 | 0 | 0 | 112.2 | K651 L652 T659 L682 Y685 | K651-I655 VanDerWaalsContact O-CG1 3.31Å; K651-I655 WeakPolarHBondContact O-CG1 3.41Å; K651-I655 PolarHBondContact O-N 3.06Å; K651-I655 VanDerWaalsContact O-N 3.07Å; L652-I655 HydrophobicContact CD1-CB 4.44Å; L652-I655 HydrophobicContact CD1-CG2 4.47Å; L652-I655 PolarHBondContact O-N 3.05Å; I655-T659 WeakPolarHBondContact O-CB 3.08Å; I655-T659 PolarHBondContact O-N 2.86Å; I655-T659 VanDerWaalsContact O-N 3.15Å; I655-T659 PolarHBondContact O-OG1 3.32Å; I655-L682 HydrophobicContact CG2-CD2 3.68Å; I655-Y685 HydrophobicContact CD1-CD2 4.47Å; I655-Y685 HydrophobicContact CD1-CE1 4.44Å; I655-Y685 HydrophobicContact CD1-CE2 4.26Å |
| 656 | L | 93.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.9 | -41.8 | 177 | -69.8 | 169.2 | 0 | 0 | 0 | 111.7 | V629 F632 L636 L652 S653 V654 T659 E660 L682 | V629-L656 HydrophobicContact CB-CD2 4.4Å; V629-L656 HydrophobicContact CG1-CB 4.37Å; V629-L656 HydrophobicContact CG1-CD2 4.39Å; V629-L656 HydrophobicContact CG2-CD2 4.07Å; F632-L656 HydrophobicContact CB-CD1 4.38Å; F632-L656 HydrophobicContact CD1-CD1 4.15Å; L636-L656 HydrophobicContact CD1-CD1 3.56Å; L652-L656 HydrophobicContact CD1-CD1 4.48Å; L652-L656 HydrophobicContact CD1-CG 4.28Å; L652-L656 HydrophobicContact CG-CD1 4.16Å; L652-L656 HydrophobicContact CG-CG 4.45Å; L652-L656 WeakPolarHBondContact O-CB 3.42Å; L652-L656 VanDerWaalsContact O-CG 3.24Å; L652-L656 WeakPolarHBondContact O-CG 3.37Å; L652-L656 PolarHBondContact O-N 3.4Å; S653-L656 PolarHBondContact O-N 2.9Å; V654-L656 VanDerWaalsContact C-N 3.26Å; V654-L656 PolarHBondContact O-N 3.43Å; L656-T659 PolarHBondContact O-N 3.32Å; L656-E660 PolarHBondContact O-N 3.14Å; L656-L682 HydrophobicContact CD2-CD1 4.45Å; L656-L682 HydrophobicContact CD2-CD2 4.15Å |
| 657 | E | 93.8 | Very high | 91.9 | Very high | 106 Ų | 106 | 66.8 Ų | 66.8 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 175.4 | -172.9 | 171.9 | -177.5 | 0 | 0 | 111.7 | S653 V654 T659 E660 N661 | S653-E657 WeakPolarHBondContact O-CB 3.28Å; S653-E657 PolarHBondContact O-N 3.04Å; V654-E657 PolarHBondContact O-N 3.01Å; E657-T659 PolarHBondContact O-N 3Å; E657-E660 PolarHBondContact O-N 2.83Å; E657-N661 WeakPolarHBondContact O-CB 3.45Å; E657-N661 VanDerWaalsContact O-CG 3.29Å; E657-N661 PolarHBondContact O-N 3.48Å; E657-N661 PolarHBondContact O-ND2 2.87Å; E657-N661 VanDerWaalsContact O-ND2 3.12Å |
| 658 | D | 94.6 | Very high | 92.1 | Very high | 98 Ų | 98 | 66.5 Ų | 66.5 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.8 | -35.7 | 172 | -73.5 | -20.8 | 0 | 0 | 0 | 111.9 | V654 W662 | V654-D658 WeakPolarHBondContact O-CB 3.48Å; V654-D658 VanDerWaalsContact O-CG 3.29Å; V654-D658 PolarHBondContact O-N 3.03Å; D658-W662 VanDerWaalsContact O-CB 3.25Å; D658-W662 WeakPolarHBondContact O-CB 3.41Å; D658-W662 PolarHBondContact O-N 2.85Å |
| 659 | T | 94.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.043 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.9 | -32 | 179 | -53.5 | 0 | 0 | 0 | 0 | 112.7 | V625 V629 I655 L656 E657 W662 L663 L682 | V625-T659 HydrophobicContact CG1-CG2 3.89Å; V629-T659 HydrophobicContact CG2-CG2 4.14Å; I655-T659 WeakPolarHBondContact O-CB 3.08Å; I655-T659 PolarHBondContact O-N 2.86Å; I655-T659 VanDerWaalsContact O-N 3.15Å; I655-T659 PolarHBondContact O-OG1 3.32Å; L656-T659 PolarHBondContact O-N 3.32Å; E657-T659 PolarHBondContact O-N 3Å; T659-W662 HydrophobicContact CG2-CE3 4.45Å; T659-L663 WeakPolarHBondContact O-CG 3.27Å; T659-L663 PolarHBondContact O-N 3.17Å; T659-L682 HydrophobicContact CG2-CD1 4.14Å |
| 660 | E | 93.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 170.2 | -172.9 | 175.2 | -159.6 | 0 | 0 | 110.6 | V629 Y630 R633 L656 E657 W662 L663 Y664 | V629-E660 HydrophobicContact CG1-CB 4.16Å; Y630-E660 WeakPolarHBondContact CE1-OE1 3.47Å; Y630-E660 PolarHBondContact OH-OE1 2.73Å; R633-E660 IonicContact CZ-OE1 3.96Å; R633-E660 IonicContact CZ-OE2 2.69Å; R633-E660 IonicContact NH1-OE2 3.2Å; R633-E660 PolarHBondContact NH1-OE2 3.33Å; R633-E660 VanDerWaalsContact NH2-CD 3.27Å; R633-E660 IonicContact NH2-OE1 2.75Å; R633-E660 PolarHBondContact NH2-OE1 2.94Å; R633-E660 IonicContact NH2-OE2 3.74Å; R633-E660 PolarHBondContact NH2-OE2 3.5Å; L656-E660 PolarHBondContact O-N 3.14Å; E657-E660 PolarHBondContact O-N 2.83Å; E660-W662 VanDerWaalsContact C-N 3.33Å; E660-W662 PolarHBondContact O-N 3.4Å; E660-L663 PolarHBondContact O-N 3.18Å; E660-L663 VanDerWaalsContact O-N 3.16Å; E660-Y664 HydrophobicContact CG-CD2 4.37Å; E660-Y664 HydrophobicContact CG-CE2 3.92Å; E660-Y664 VanDerWaalsContact O-CD2 3.23Å; E660-Y664 WeakPolarHBondContact O-CD2 3.39Å |
| 661 | N | 94.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 174.6 | -67.8 | -34.7 | 0 | 0 | 0 | 110.8 | E657 L663 Y664 E665 | E657-N661 WeakPolarHBondContact O-CB 3.45Å; E657-N661 VanDerWaalsContact O-CG 3.29Å; E657-N661 PolarHBondContact O-N 3.48Å; E657-N661 PolarHBondContact O-ND2 2.87Å; E657-N661 VanDerWaalsContact O-ND2 3.12Å; N661-L663 VanDerWaalsContact C-N 3.34Å; N661-L663 PolarHBondContact O-N 3.24Å; N661-Y664 PolarHBondContact O-N 3.48Å; N661-Y664 VanDerWaalsContact O-N 3.17Å; N661-E665 PolarHBondContact O-N 3.01Å |
| 662 | W | 95.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 176.3 | 178 | 79.7 | 0 | 0 | 0 | 113 | D658 T659 E660 Y664 E665 G667 Q670 V674 Y675 K678 | D658-W662 VanDerWaalsContact O-CB 3.25Å; D658-W662 WeakPolarHBondContact O-CB 3.41Å; D658-W662 PolarHBondContact O-N 2.85Å; T659-W662 HydrophobicContact CG2-CE3 4.45Å; E660-W662 VanDerWaalsContact C-N 3.33Å; E660-W662 PolarHBondContact O-N 3.4Å; W662-Y664 PolarHBondContact O-N 3.29Å; W662-E665 CarbonylContact O-C 3.56Å; W662-E665 PolarHBondContact O-N 3.07Å; W662-E665 VanDerWaalsContact O-N 3.16Å; W662-G667 VanDerWaalsContact CE2-CA 3.42Å; W662-G667 WeakPolarHBondContact O-CA 3.44Å; W662-G667 PolarHBondContact O-N 2.75Å; W662-Q670 HydrophobicContact CH2-CG 4.34Å; W662-Q670 HydrophobicContact CZ2-CG 3.92Å; W662-V674 HydrophobicContact CH2-CG1 3.9Å; W662-V674 HydrophobicContact CZ2-CG1 3.81Å; W662-Y675 AromaticContact CH2-CD1 3.79Å; W662-Y675 HydrophobicContact CH2-CD1 3.79Å; W662-Y675 AromaticContact CH2-CE1 3.77Å; W662-Y675 HydrophobicContact CH2-CE1 3.77Å; W662-Y675 AromaticContact CZ3-CD1 3.88Å; W662-Y675 HydrophobicContact CZ3-CD1 3.88Å; W662-Y675 AromaticContact CZ3-CE1 3.91Å; W662-Y675 HydrophobicContact CZ3-CE1 3.91Å; W662-K678 HydrophobicContact CH2-CG 4.14Å; W662-K678 HydrophobicContact CZ3-CG 4.18Å |
| 663 | L | 94.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -21.6 | 179.7 | -79.9 | 169.3 | 0 | 0 | 0 | 114.5 | K622 V625 E626 T659 E660 N661 E668 Y675 | K622-L663 WeakPolarHBondContact CE-O 3.38Å; K622-L663 HydrophobicContact CG-CD2 3.84Å; K622-L663 PolarHBondContact NZ-O 3.09Å; V625-L663 HydrophobicContact CB-CD1 4.37Å; V625-L663 HydrophobicContact CB-CD2 4.33Å; V625-L663 HydrophobicContact CG1-CD1 4.01Å; V625-L663 HydrophobicContact CG1-CD2 4.35Å; V625-L663 HydrophobicContact CG1-CG 4.47Å; E626-L663 HydrophobicContact CB-CD1 4Å; E626-L663 HydrophobicContact CG-CD1 4.45Å; T659-L663 WeakPolarHBondContact O-CG 3.27Å; T659-L663 PolarHBondContact O-N 3.17Å; E660-L663 PolarHBondContact O-N 3.18Å; E660-L663 VanDerWaalsContact O-N 3.16Å; N661-L663 VanDerWaalsContact C-N 3.34Å; N661-L663 PolarHBondContact O-N 3.24Å; L663-E668 WeakPolarHBondContact O-CA 3.33Å; L663-Y675 HydrophobicContact CD2-CD1 4.34Å; L663-Y675 HydrophobicContact CD2-CE1 4.12Å |
| 664 | Y | 91.7 | Very high | 93.8 | Very high | 123 Ų | 123 | 70.4 Ų | 70.4 | 48% | 0.482 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -105.4 | -6.7 | 177.1 | -59.1 | -57 | 0 | 0 | 0 | 113.9 | E626 Y630 E660 N661 W662 | E626-Y664 PolarHBondContact OE1-OH 2.93Å; Y630-Y664 PolarHBondContact OH-OH 2.96Å; E660-Y664 HydrophobicContact CG-CD2 4.37Å; E660-Y664 HydrophobicContact CG-CE2 3.92Å; E660-Y664 VanDerWaalsContact O-CD2 3.23Å; E660-Y664 WeakPolarHBondContact O-CD2 3.39Å; N661-Y664 PolarHBondContact O-N 3.48Å; N661-Y664 VanDerWaalsContact O-N 3.17Å; W662-Y664 PolarHBondContact O-N 3.29Å |
| 665 | E | 93.1 | Very high | 94 | Very high | 145 Ų | 145 | 66.9 Ų | 66.9 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -118.6 | 173.6 | -63.5 | -172 | 161.9 | 0 | 0 | 110.7 | N661 W662 G667 E668 | N661-E665 PolarHBondContact O-N 3.01Å; W662-E665 CarbonylContact O-C 3.56Å; W662-E665 PolarHBondContact O-N 3.07Å; W662-E665 VanDerWaalsContact O-N 3.16Å; E665-G667 PolarHBondContact O-N 3.09Å; E665-E668 WeakPolarHBondContact O-CB 3.25Å; E665-E668 PolarHBondContact O-N 3.45Å |
| 666 | D | 91.4 | Very high | 94.1 | Very high | 127 Ų | 127 | 66.9 Ų | 66.9 | 68% | 0.679 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.1 | -177.2 | -76.2 | -26.5 | 0 | 0 | 0 | 114.4 | Q670 | D666-Q670 WeakPolarHBondContact O-CG 3.46Å; D666-Q670 PolarHBondContact O-NE2 3.41Å |
| 667 | G | 89.6 | Confident | 94.3 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W662 E665 D669 Y675 | W662-G667 VanDerWaalsContact CE2-CA 3.42Å; W662-G667 WeakPolarHBondContact O-CA 3.44Å; W662-G667 PolarHBondContact O-N 2.75Å; E665-G667 PolarHBondContact O-N 3.09Å; G667-D669 VanDerWaalsContact C-N 3.28Å; G667-D669 PolarHBondContact O-N 3.15Å; G667-Y675 VanDerWaalsContact O-CE1 3.31Å; G667-Y675 WeakPolarHBondContact O-CE1 3.38Å; G667-Y675 PolarHBondContact O-OH 2.74Å |
| 668 | E | 90.4 | Very high | 94.3 | Very high | 130 Ų | 130 | 68.6 Ų | 68.6 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -55.9 | -47.8 | -179.5 | -169.3 | -170.3 | -164.4 | 0 | 0 | 110.7 | K622 L663 E665 Y675 | K622-E668 PolarHBondContact NZ-O 3.08Å; L663-E668 WeakPolarHBondContact O-CA 3.33Å; E665-E668 WeakPolarHBondContact O-CB 3.25Å; E665-E668 PolarHBondContact O-N 3.45Å; E668-Y675 PolarHBondContact O-OH 3.27Å; E668-Y675 VanDerWaalsContact O-OH 3.11Å |
| 669 | D | 91.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -129.3 | 90.1 | -178.6 | -179.8 | 40.3 | 0 | 0 | 0 | 112.4 | R44 R618 G667 | R44-D669 IonicContact CZ-OD1 3.25Å; R44-D669 IonicContact CZ-OD2 2.92Å; R44-D669 IonicContact NH1-OD1 3.88Å; R44-D669 PolarHBondContact NH1-OD1 2.85Å; R44-D669 IonicContact NH1-OD2 3.81Å; R44-D669 IonicContact NH2-OD1 3.36Å; R44-D669 PolarHBondContact NH2-OD1 3.43Å; R44-D669 IonicContact NH2-OD2 2.74Å; R44-D669 PolarHBondContact NH2-OD2 3.45Å; R618-D669 IonicContact CZ-OD1 2.69Å; R618-D669 IonicContact NH1-OD1 2.86Å; R618-D669 PolarHBondContact NH1-OD1 3.4Å; R618-D669 IonicContact NH2-OD1 3.84Å; G667-D669 VanDerWaalsContact C-N 3.28Å; G667-D669 PolarHBondContact O-N 3.15Å |
| 670 | Q | 95.2 | Very high | 94.4 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | trans | -122.6 | 155.9 | 175.7 | -69.2 | -67 | -24.2 | 0 | 0 | 112.2 | R618 W662 D666 V674 Y675 | R618-Q670 VanDerWaalsContact CD-O 3.28Å; R618-Q670 WeakPolarHBondContact CD-O 3.2Å; R618-Q670 WeakPolarHBondContact CG-O 3.18Å; R618-Q670 PolarHBondContact NH1-O 3.16Å; R618-Q670 VanDerWaalsContact NH1-O 3.08Å; W662-Q670 HydrophobicContact CH2-CG 4.34Å; W662-Q670 HydrophobicContact CZ2-CG 3.92Å; D666-Q670 WeakPolarHBondContact O-CG 3.46Å; D666-Q670 PolarHBondContact O-NE2 3.41Å; Q670-V674 HydrophobicContact CB-CB 4.01Å; Q670-V674 HydrophobicContact CB-CG1 4.21Å; Q670-V674 HydrophobicContact CB-CG2 4.34Å; Q670-V674 HydrophobicContact CG-CG1 4.39Å; Q670-Y675 HydrophobicContact CB-CE1 4.13Å; Q670-Y675 HydrophobicContact CB-CE2 4.19Å; Q670-Y675 PolarHBondContact N-OH 2.9Å; Q670-Y675 WeakPolarHBondContact O-CE2 3.49Å | ||
| 671 | P | 94.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 72 Ų | 72 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | trans | -59.5 | 146.6 | 171.5 | -22.9 | 33.6 | 0 | 0 | 0 | 112 | Q673 V674 | P671-Q673 PolarHBondContact O-N 3.31Å; P671-V674 HydrophobicContact CB-CG2 4.43Å; P671-V674 HydrophobicContact CG-CG2 4.48Å; P671-V674 WeakPolarHBondContact O-CB 3.2Å; P671-V674 PolarHBondContact O-N 3.44Å | ||
| 672 | K | 95.6 | Very high | 94.4 | Very high | 84 Ų | 84 | 68.2 Ų | 68.2 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -45.4 | -40.5 | -176.9 | -177.7 | -175.2 | 179 | -167.8 | 0 | 114 | E617 R618 A621 V674 Y675 V676 | E617-K672 HydrophobicContact CB-CD 4.02Å; E617-K672 WeakPolarHBondContact O-CD 3.28Å; E617-K672 WeakPolarHBondContact O-CE 3.45Å; E617-K672 IonicContact OE2-NZ 3.63Å; E617-K672 PolarHBondContact OE2-NZ 2.98Å; R618-K672 HydrophobicContact CB-CB 4.31Å; R618-K672 HydrophobicContact CG-CB 4.27Å; A621-K672 HydrophobicContact CB-CG 3.95Å; K672-V674 VanDerWaalsContact C-N 3.31Å; K672-V674 PolarHBondContact O-N 3.45Å; K672-Y675 PolarHBondContact O-N 3.2Å; K672-V676 WeakPolarHBondContact O-CG2 3.43Å; K672-V676 PolarHBondContact O-N 2.86Å |
| 673 | Q | 96.7 | Very high | 94.3 | Very high | 111 Ų | 111 | 68.9 Ų | 68.9 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | -178.2 | -168.5 | 60.1 | 42.9 | 0 | 0 | 112.7 | P671 Y675 V676 D677 | P671-Q673 PolarHBondContact O-N 3.31Å; Q673-Y675 PolarHBondContact O-N 2.87Å; Q673-V676 PolarHBondContact O-N 2.75Å; Q673-D677 PolarHBondContact NE2-OD1 2.86Å; Q673-D677 WeakPolarHBondContact O-CB 3.23Å; Q673-D677 VanDerWaalsContact O-CG 3.22Å; Q673-D677 PolarHBondContact O-N 2.85Å |
| 674 | V | 96.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 75.6 Ų | 75.6 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | W662 Q670 P671 K672 D677 K678 | W662-V674 HydrophobicContact CH2-CG1 3.9Å; W662-V674 HydrophobicContact CZ2-CG1 3.81Å; Q670-V674 HydrophobicContact CB-CB 4.01Å; Q670-V674 HydrophobicContact CB-CG1 4.21Å; Q670-V674 HydrophobicContact CB-CG2 4.34Å; Q670-V674 HydrophobicContact CG-CG1 4.39Å; P671-V674 HydrophobicContact CB-CG2 4.43Å; P671-V674 HydrophobicContact CG-CG2 4.48Å; P671-V674 WeakPolarHBondContact O-CB 3.2Å; P671-V674 PolarHBondContact O-N 3.44Å; K672-V674 VanDerWaalsContact C-N 3.31Å; K672-V674 PolarHBondContact O-N 3.45Å; V674-D677 PolarHBondContact O-N 2.85Å; V674-K678 WeakPolarHBondContact O-CB 3.49Å; V674-K678 PolarHBondContact O-N 3.2Å |
| 675 | Y | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.8 | -58.8 | -54.9 | 0 | 0 | 0 | 112.2 | R618 K622 V625 W662 L663 G667 E668 Q670 K672 Q673 D677 K678 L679 | R618-Y675 HydrophobicContact CG-CE2 4.22Å; R618-Y675 PolarHBondContact NH1-OH 3.45Å; K622-Y675 HydrophobicContact CB-CD1 4.21Å; K622-Y675 HydrophobicContact CB-CD2 3.93Å; K622-Y675 HydrophobicContact CB-CE1 4.06Å; K622-Y675 HydrophobicContact CB-CE2 3.75Å; K622-Y675 HydrophobicContact CB-CG 4.17Å; K622-Y675 HydrophobicContact CD-CE1 4.25Å; K622-Y675 HydrophobicContact CG-CD1 4.21Å; K622-Y675 HydrophobicContact CG-CE1 3.76Å; K622-Y675 HydrophobicContact CG-CE2 4.25Å; V625-Y675 HydrophobicContact CG2-CD1 4.43Å; V625-Y675 VanDerWaalsContact CG2-O 3.29Å; V625-Y675 WeakPolarHBondContact CG2-O 3.49Å; W662-Y675 AromaticContact CH2-CD1 3.79Å; W662-Y675 HydrophobicContact CH2-CD1 3.79Å; W662-Y675 AromaticContact CH2-CE1 3.77Å; W662-Y675 HydrophobicContact CH2-CE1 3.77Å; W662-Y675 AromaticContact CZ3-CD1 3.88Å; W662-Y675 HydrophobicContact CZ3-CD1 3.88Å; W662-Y675 AromaticContact CZ3-CE1 3.91Å; W662-Y675 HydrophobicContact CZ3-CE1 3.91Å; L663-Y675 HydrophobicContact CD2-CD1 4.34Å; L663-Y675 HydrophobicContact CD2-CE1 4.12Å; G667-Y675 VanDerWaalsContact O-CE1 3.31Å; G667-Y675 WeakPolarHBondContact O-CE1 3.38Å; G667-Y675 PolarHBondContact O-OH 2.74Å; E668-Y675 PolarHBondContact O-OH 3.27Å; E668-Y675 VanDerWaalsContact O-OH 3.11Å; Q670-Y675 HydrophobicContact CB-CE1 4.13Å; Q670-Y675 HydrophobicContact CB-CE2 4.19Å; Q670-Y675 PolarHBondContact N-OH 2.9Å; Q670-Y675 WeakPolarHBondContact O-CE2 3.49Å; K672-Y675 PolarHBondContact O-N 3.2Å; Q673-Y675 PolarHBondContact O-N 2.87Å; Y675-D677 PolarHBondContact O-N 2.71Å; Y675-K678 PolarHBondContact O-N 2.86Å; Y675-L679 WeakPolarHBondContact O-CB 3.27Å; Y675-L679 PolarHBondContact O-N 3.19Å |
| 676 | V | 96.9 | Very high | 93.9 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.9 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | A621 K672 Q673 Q680 | A621-V676 HydrophobicContact CB-CG2 4.33Å; K672-V676 WeakPolarHBondContact O-CG2 3.43Å; K672-V676 PolarHBondContact O-N 2.86Å; Q673-V676 PolarHBondContact O-N 2.75Å; V676-Q680 WeakPolarHBondContact O-CG 3.5Å; V676-Q680 PolarHBondContact O-N 2.76Å |
| 677 | D | 96.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 67.2 Ų | 67.2 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.3 | -38.2 | 179.3 | -67.4 | -18.5 | 0 | 0 | 0 | 111.5 | Q673 V674 Y675 Q680 E681 | Q673-D677 PolarHBondContact NE2-OD1 2.86Å; Q673-D677 WeakPolarHBondContact O-CB 3.23Å; Q673-D677 VanDerWaalsContact O-CG 3.22Å; Q673-D677 PolarHBondContact O-N 2.85Å; V674-D677 PolarHBondContact O-N 2.85Å; Y675-D677 PolarHBondContact O-N 2.71Å; D677-Q680 WeakPolarHBondContact O-CB 3.34Å; D677-Q680 PolarHBondContact O-N 3.14Å; D677-E681 PolarHBondContact O-N 3.27Å |
| 678 | K | 95 | Very high | 93.9 | Very high | 64 Ų | 64 | 70 Ų | 70 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 171.3 | -82.8 | -63.9 | -174.2 | -175.1 | 0 | 112.7 | W662 V674 Y675 Q680 E681 L682 | W662-K678 HydrophobicContact CH2-CG 4.14Å; W662-K678 HydrophobicContact CZ3-CG 4.18Å; V674-K678 WeakPolarHBondContact O-CB 3.49Å; V674-K678 PolarHBondContact O-N 3.2Å; Y675-K678 PolarHBondContact O-N 2.86Å; K678-Q680 VanDerWaalsContact C-N 3.28Å; K678-Q680 PolarHBondContact O-N 2.69Å; K678-E681 WeakPolarHBondContact CD-OE2 3.48Å; K678-E681 WeakPolarHBondContact CE-OE2 3.38Å; K678-E681 IonicContact NZ-OE2 2.72Å; K678-E681 PolarHBondContact NZ-OE2 2.91Å; K678-E681 WeakPolarHBondContact O-CB 3.34Å; K678-E681 PolarHBondContact O-N 3.47Å; K678-E681 VanDerWaalsContact O-N 3.12Å; K678-L682 WeakPolarHBondContact O-CG 3.42Å; K678-L682 PolarHBondContact O-N 2.72Å |
| 679 | L | 95.8 | Very high | 93.9 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.131 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -35 | 174.2 | -173 | 54.3 | 0 | 0 | 0 | 112.1 | A624 V625 Y628 Y675 K683 | A624-L679 HydrophobicContact CB-CD2 3.97Å; A624-L679 WeakPolarHBondContact O-CD1 3.41Å; V625-L679 HydrophobicContact CG2-CB 4.12Å; Y628-L679 HydrophobicContact CD1-CD1 4.23Å; Y628-L679 HydrophobicContact CD2-CD1 4Å; Y628-L679 HydrophobicContact CG-CD1 3.7Å; Y675-L679 WeakPolarHBondContact O-CB 3.27Å; Y675-L679 PolarHBondContact O-N 3.19Å; L679-K683 HydrophobicContact CD1-CD 4.22Å; L679-K683 HydrophobicContact CG-CD 4.13Å; L679-K683 VanDerWaalsContact O-CB 3.29Å; L679-K683 WeakPolarHBondContact O-CB 3.02Å; L679-K683 WeakPolarHBondContact O-CD 3.19Å; L679-K683 WeakPolarHBondContact O-CG 3.11Å; L679-K683 PolarHBondContact O-N 3.22Å; L679-K683 VanDerWaalsContact O-N 3.12Å |
| 680 | Q | 95.7 | Very high | 93.7 | Very high | 106 Ų | 106 | 62.9 Ų | 62.9 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 171.8 | -75.7 | 178.8 | 62.6 | 0 | 0 | 112.6 | V676 D677 K678 K683 K684 | V676-Q680 WeakPolarHBondContact O-CG 3.5Å; V676-Q680 PolarHBondContact O-N 2.76Å; D677-Q680 WeakPolarHBondContact O-CB 3.34Å; D677-Q680 PolarHBondContact O-N 3.14Å; K678-Q680 VanDerWaalsContact C-N 3.28Å; K678-Q680 PolarHBondContact O-N 2.69Å; Q680-K683 PolarHBondContact O-N 3.22Å; Q680-K684 WeakPolarHBondContact O-CG 3.31Å; Q680-K684 PolarHBondContact O-N 3.06Å |
| 681 | E | 94.4 | Very high | 93.4 | Very high | 73 Ų | 73 | 64.7 Ų | 64.7 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -52.2 | 174.9 | -176.3 | 167 | -128.9 | 0 | 0 | 111.6 | D677 K678 K683 K684 Y685 | D677-E681 PolarHBondContact O-N 3.27Å; K678-E681 WeakPolarHBondContact CD-OE2 3.48Å; K678-E681 WeakPolarHBondContact CE-OE2 3.38Å; K678-E681 IonicContact NZ-OE2 2.72Å; K678-E681 PolarHBondContact NZ-OE2 2.91Å; K678-E681 WeakPolarHBondContact O-CB 3.34Å; K678-E681 PolarHBondContact O-N 3.47Å; K678-E681 VanDerWaalsContact O-N 3.12Å; E681-K683 VanDerWaalsContact C-N 3.26Å; E681-K683 PolarHBondContact O-N 3.19Å; E681-K684 WeakPolarHBondContact O-CB 3.35Å; E681-K684 PolarHBondContact O-N 3.1Å; E681-K684 VanDerWaalsContact O-N 3.15Å; E681-Y685 HydrophobicContact CG-CE2 4.44Å; E681-Y685 WeakPolarHBondContact O-CD2 3.38Å |
| 682 | L | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 175 | -67.2 | -177.5 | 0 | 0 | 0 | 112.5 | V625 Y628 V629 I655 L656 T659 K678 K684 Y685 G686 | V625-L682 HydrophobicContact CG1-CD1 4.12Å; Y628-L682 HydrophobicContact CD1-CB 4.06Å; Y628-L682 HydrophobicContact CD1-CD1 3.87Å; Y628-L682 HydrophobicContact CE1-CB 3.66Å; Y628-L682 HydrophobicContact CE1-CD1 4.26Å; Y628-L682 PolarHBondContact OH-O 2.62Å; V629-L682 HydrophobicContact CG2-CD1 3.66Å; I655-L682 HydrophobicContact CG2-CD2 3.68Å; L656-L682 HydrophobicContact CD2-CD1 4.45Å; L656-L682 HydrophobicContact CD2-CD2 4.15Å; T659-L682 HydrophobicContact CG2-CD1 4.14Å; K678-L682 WeakPolarHBondContact O-CG 3.42Å; K678-L682 PolarHBondContact O-N 2.72Å; L682-K684 VanDerWaalsContact C-N 3.34Å; L682-K684 PolarHBondContact O-N 2.64Å; L682-Y685 PolarHBondContact O-N 3.09Å; L682-G686 PolarHBondContact O-N 3.08Å |
| 683 | K | 93.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 61.8 Ų | 61.8 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68 | -26.5 | 179.3 | -80.2 | 170.7 | -178.4 | 169 | 0 | 113.8 | Y628 L679 Q680 E681 Y685 G686 Q687 | Y628-K683 HydrophobicContact CD2-CG 4.41Å; Y628-K683 HydrophobicContact CE2-CD 4.29Å; Y628-K683 HydrophobicContact CE2-CG 3.63Å; L679-K683 HydrophobicContact CD1-CD 4.22Å; L679-K683 HydrophobicContact CG-CD 4.13Å; L679-K683 VanDerWaalsContact O-CB 3.29Å; L679-K683 WeakPolarHBondContact O-CB 3.02Å; L679-K683 WeakPolarHBondContact O-CD 3.19Å; L679-K683 WeakPolarHBondContact O-CG 3.11Å; L679-K683 PolarHBondContact O-N 3.22Å; L679-K683 VanDerWaalsContact O-N 3.12Å; Q680-K683 PolarHBondContact O-N 3.22Å; E681-K683 VanDerWaalsContact C-N 3.26Å; E681-K683 PolarHBondContact O-N 3.19Å; K683-Y685 VanDerWaalsContact C-N 3.26Å; K683-Y685 PolarHBondContact O-N 3.42Å; K683-G686 PolarHBondContact O-N 2.94Å; K683-Q687 HydrophobicContact CB-CG 4Å; K683-Q687 HydrophobicContact CG-CG 4.31Å; K683-Q687 WeakPolarHBondContact O-CB 3.4Å; K683-Q687 VanDerWaalsContact O-CG 3.28Å; K683-Q687 WeakPolarHBondContact O-CG 3.34Å; K683-Q687 PolarHBondContact O-N 2.88Å |
| 684 | K | 93.1 | Very high | 92.5 | Very high | 142 Ų | 142 | 61.9 Ų | 61.9 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.7 | -37.6 | 173.1 | -67.8 | 161.7 | -165.1 | 167.9 | 0 | 112 | Q680 E681 L682 P688 | Q680-K684 WeakPolarHBondContact O-CG 3.31Å; Q680-K684 PolarHBondContact O-N 3.06Å; E681-K684 WeakPolarHBondContact O-CB 3.35Å; E681-K684 PolarHBondContact O-N 3.1Å; E681-K684 VanDerWaalsContact O-N 3.15Å; L682-K684 VanDerWaalsContact C-N 3.34Å; L682-K684 PolarHBondContact O-N 2.64Å; K684-P688 WeakPolarHBondContact O-CD 3.36Å |
| 685 | Y | 89.3 | Confident | 92.2 | Very high | 117 Ų | 117 | 60.3 Ų | 60.3 | 46% | 0.459 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -84.1 | -41.4 | 177.4 | -58 | -78.7 | 0 | 0 | 0 | 112.1 | L652 I655 E681 L682 K683 P688 I689 | L652-Y685 HydrophobicContact CD1-CG 4.39Å; I655-Y685 HydrophobicContact CD1-CD2 4.47Å; I655-Y685 HydrophobicContact CD1-CE1 4.44Å; I655-Y685 HydrophobicContact CD1-CE2 4.26Å; E681-Y685 HydrophobicContact CG-CE2 4.44Å; E681-Y685 WeakPolarHBondContact O-CD2 3.38Å; L682-Y685 PolarHBondContact O-N 3.09Å; K683-Y685 VanDerWaalsContact C-N 3.26Å; K683-Y685 PolarHBondContact O-N 3.42Å; Y685-P688 WeakPolarHBondContact O-CD 3.49Å; Y685-I689 WeakPolarHBondContact O-CD1 3.33Å |
| 686 | G | 88.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80 | -36.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y628 F632 L682 K683 I689 Q690 | Y628-G686 WeakPolarHBondContact OH-CA 3.37Å; F632-G686 WeakPolarHBondContact CZ-O 3.15Å; L682-G686 PolarHBondContact O-N 3.08Å; K683-G686 PolarHBondContact O-N 2.94Å; G686-I689 PolarHBondContact O-N 3.42Å; G686-I689 VanDerWaalsContact O-N 3.14Å; G686-Q690 PolarHBondContact O-N 3.1Å |
| 687 | Q | 89.6 | Confident | 91.4 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | -177.7 | -74.1 | -178.6 | -39.1 | 0 | 0 | 113.9 | K683 I689 Q690 M691 | K683-Q687 HydrophobicContact CB-CG 4Å; K683-Q687 HydrophobicContact CG-CG 4.31Å; K683-Q687 WeakPolarHBondContact O-CB 3.4Å; K683-Q687 VanDerWaalsContact O-CG 3.28Å; K683-Q687 WeakPolarHBondContact O-CG 3.34Å; K683-Q687 PolarHBondContact O-N 2.88Å; Q687-I689 PolarHBondContact O-N 3.25Å; Q687-Q690 PolarHBondContact O-N 2.89Å; Q687-M691 VanDerWaalsContact O-CB 3.31Å; Q687-M691 WeakPolarHBondContact O-CB 3.26Å; Q687-M691 VanDerWaalsContact O-CG 3.26Å; Q687-M691 WeakPolarHBondContact O-CG 3.44Å; Q687-M691 PolarHBondContact O-N 3.48Å |
| 688 | P | 90.5 | Very high | 91.1 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.1 | -36.6 | 174.1 | -28.2 | 36 | 0 | 0 | 0 | 113.8 | K684 Y685 K692 | K684-P688 WeakPolarHBondContact O-CD 3.36Å; Y685-P688 WeakPolarHBondContact O-CD 3.49Å; P688-K692 VanDerWaalsContact O-CG 3.28Å; P688-K692 WeakPolarHBondContact O-CG 3.43Å; P688-K692 PolarHBondContact O-N 3.49Å; P688-K692 VanDerWaalsContact O-N 3.08Å |
| 689 | I | 89.4 | Confident | 91 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.8 | -46.3 | -179.4 | -55.6 | 150.8 | 0 | 0 | 0 | 110.2 | F632 Y640 F643 I644 L652 Y685 G686 Q687 M691 K692 Y693 | F632-I689 HydrophobicContact CE1-CD1 4.1Å; F632-I689 HydrophobicContact CZ-CB 4.23Å; F632-I689 HydrophobicContact CZ-CD1 3.96Å; Y640-I689 HydrophobicContact CD1-CG2 4.39Å; Y640-I689 HydrophobicContact CD2-CG2 4.29Å; Y640-I689 HydrophobicContact CG-CG2 3.89Å; F643-I689 HydrophobicContact CB-CG2 4.24Å; I644-I689 HydrophobicContact CD1-CD1 3.58Å; I644-I689 HydrophobicContact CD1-CG1 4.27Å; I644-I689 HydrophobicContact CG1-CD1 4.27Å; I644-I689 HydrophobicContact CG1-CG1 4.45Å; L652-I689 HydrophobicContact CD2-CD1 3.56Å; Y685-I689 WeakPolarHBondContact O-CD1 3.33Å; G686-I689 PolarHBondContact O-N 3.42Å; G686-I689 VanDerWaalsContact O-N 3.14Å; Q687-I689 PolarHBondContact O-N 3.25Å; I689-M691 VanDerWaalsContact C-N 3.3Å; I689-M691 PolarHBondContact O-N 2.96Å; I689-K692 PolarHBondContact O-N 2.97Å; I689-K692 VanDerWaalsContact O-N 3.17Å; I689-Y693 PolarHBondContact O-N 3.35Å |
| 690 | Q | 89.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 173.5 | -72.5 | -179.5 | -18.7 | 0 | 0 | 111.6 | F632 Y640 G686 Q687 Y693 M694 | F632-Q690 HydrophobicContact CE2-CG 3.73Å; F632-Q690 HydrophobicContact CZ-CG 4.37Å; Y640-Q690 HydrophobicContact CE2-CG 3.99Å; G686-Q690 PolarHBondContact O-N 3.1Å; Q687-Q690 PolarHBondContact O-N 2.89Å; Q690-Y693 PolarHBondContact O-N 2.81Å; Q690-M694 WeakPolarHBondContact O-CB 3.3Å; Q690-M694 WeakPolarHBondContact O-CG 3.47Å; Q690-M694 PolarHBondContact O-N 3.28Å |
| 691 | M | 88.2 | Confident | 90.5 | Very high | 97 Ų | 97 | 65.3 Ų | 65.3 | 48% | 0.478 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.2 | -75.5 | -61.9 | -56.1 | 0 | 0 | 112 | Q687 I689 Y693 M694 E695 | Q687-M691 VanDerWaalsContact O-CB 3.31Å; Q687-M691 WeakPolarHBondContact O-CB 3.26Å; Q687-M691 VanDerWaalsContact O-CG 3.26Å; Q687-M691 WeakPolarHBondContact O-CG 3.44Å; Q687-M691 PolarHBondContact O-N 3.48Å; I689-M691 VanDerWaalsContact C-N 3.3Å; I689-M691 PolarHBondContact O-N 2.96Å; M691-Y693 PolarHBondContact O-N 3.17Å; M691-M694 PolarHBondContact O-N 3.44Å; M691-E695 HydrophobicContact CE-CG 4.28Å; M691-E695 WeakPolarHBondContact O-CB 3.4Å; M691-E695 VanDerWaalsContact O-CG 3.23Å; M691-E695 WeakPolarHBondContact O-CG 3.46Å; M691-E695 PolarHBondContact O-N 3.29Å |
| 692 | K | 89.8 | Confident | 90.3 | Very high | 37 Ų | 37 | 62.6 Ų | 62.6 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.8 | -76.2 | 167.8 | -173.5 | 178 | 0 | 112.4 | F643 P688 I689 H696 T762 D764 | F643-K692 HydrophobicContact CB-CB 4.19Å; F643-K692 HydrophobicContact CD1-CB 4.07Å; F643-K692 HydrophobicContact CG-CB 4.49Å; P688-K692 VanDerWaalsContact O-CG 3.28Å; P688-K692 WeakPolarHBondContact O-CG 3.43Å; P688-K692 PolarHBondContact O-N 3.49Å; P688-K692 VanDerWaalsContact O-N 3.08Å; I689-K692 PolarHBondContact O-N 2.97Å; I689-K692 VanDerWaalsContact O-N 3.17Å; K692-H696 WeakPolarHBondContact O-CB 3.43Å; K692-H696 PolarHBondContact O-N 3.23Å; K692-T762 PolarHBondContact NZ-O 3.02Å; K692-D764 WeakPolarHBondContact CE-OD1 3.47Å; K692-D764 IonicContact NZ-OD1 2.75Å; K692-D764 PolarHBondContact NZ-OD1 2.95Å |
| 693 | Y | 89.4 | Confident | 90.1 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -52.4 | 175.1 | 172.1 | -100.5 | 0 | 0 | 0 | 112.2 | V639 Y640 F643 I689 Q690 M691 E695 H696 E697 | V639-Y693 HydrophobicContact CB-CE2 4.09Å; Y640-Y693 HydrophobicContact CD1-CD1 4.47Å; Y640-Y693 HydrophobicContact CD1-CD2 4.34Å; Y640-Y693 AromaticContact CD1-CG 3.98Å; Y640-Y693 HydrophobicContact CD1-CG 3.98Å; Y640-Y693 AromaticContact CE1-CD1 3.75Å; Y640-Y693 HydrophobicContact CE1-CD1 3.75Å; Y640-Y693 HydrophobicContact CE1-CD2 4.37Å; Y640-Y693 HydrophobicContact CE1-CE1 4.45Å; Y640-Y693 AromaticContact CE1-CG 3.7Å; Y640-Y693 HydrophobicContact CE1-CG 3.7Å; F643-Y693 HydrophobicContact CD2-CD2 4.22Å; F643-Y693 AromaticContact CE2-CD2 3.72Å; F643-Y693 HydrophobicContact CE2-CD2 3.72Å; F643-Y693 HydrophobicContact CZ-CD2 4.19Å; I689-Y693 PolarHBondContact O-N 3.35Å; Q690-Y693 PolarHBondContact O-N 2.81Å; M691-Y693 PolarHBondContact O-N 3.17Å; Y693-E695 VanDerWaalsContact C-N 3.34Å; Y693-E695 PolarHBondContact O-N 3.41Å; Y693-H696 WeakPolarHBondContact O-CA 3.06Å; Y693-H696 WeakPolarHBondContact O-CB 3.23Å; Y693-H696 PolarHBondContact O-N 2.95Å; Y693-E697 HydrophobicContact CE1-CG 4.4Å; Y693-E697 HydrophobicContact CE2-CG 4.05Å; Y693-E697 PolarHBondContact O-N 3.29Å |
| 694 | M | 89.3 | Confident | 89.9 | Confident | 113 Ų | 113 | 64.7 Ų | 64.7 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.4 | -43 | 178.8 | -71.9 | -179.8 | 66.9 | 0 | 0 | 112.2 | Q690 M691 H696 E697 E698 | Q690-M694 WeakPolarHBondContact O-CB 3.3Å; Q690-M694 WeakPolarHBondContact O-CG 3.47Å; Q690-M694 PolarHBondContact O-N 3.28Å; M691-M694 PolarHBondContact O-N 3.44Å; M694-H696 VanDerWaalsContact C-N 3.27Å; M694-H696 PolarHBondContact O-N 2.65Å; M694-E697 PolarHBondContact O-N 2.78Å; M694-E698 WeakPolarHBondContact O-CB 3.29Å; M694-E698 PolarHBondContact O-N 3.49Å |
| 695 | E | 90.9 | Very high | 89.7 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -25.2 | 174.9 | -76 | -84.2 | 170 | 0 | 0 | 112.2 | M691 Y693 R699 P765 K768 V769 | M691-E695 HydrophobicContact CE-CG 4.28Å; M691-E695 WeakPolarHBondContact O-CB 3.4Å; M691-E695 VanDerWaalsContact O-CG 3.23Å; M691-E695 WeakPolarHBondContact O-CG 3.46Å; M691-E695 PolarHBondContact O-N 3.29Å; Y693-E695 VanDerWaalsContact C-N 3.34Å; Y693-E695 PolarHBondContact O-N 3.41Å; E695-R699 VanDerWaalsContact C-NH2 3.3Å; E695-R699 WeakPolarHBondContact O-CB 3.47Å; E695-R699 PolarHBondContact O-N 2.86Å; E695-R699 PolarHBondContact O-NH2 2.95Å; E695-R699 IonicContact OE2-NE 3.56Å; E695-P765 HydrophobicContact CB-CG 4.46Å; E695-K768 WeakPolarHBondContact OE1-CB 3.34Å; E695-K768 VanDerWaalsContact OE2-CA 3.28Å; E695-K768 WeakPolarHBondContact OE2-CA 3.48Å; E695-V769 PolarHBondContact OE1-N 2.95Å; E695-V769 VanDerWaalsContact OE1-N 3.12Å; E695-V769 WeakPolarHBondContact OE2-CG2 3.33Å; E695-V769 PolarHBondContact OE2-N 2.84Å |
| 696 | H | 87.8 | Confident | 89.8 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 171.3 | 177.4 | -90.5 | 0 | 0 | 0 | 112.3 | F643 K692 Y693 M694 P700 L761 | F643-H696 HydrophobicContact CE1-CB 3.5Å; F643-H696 AromaticContact CE1-CG 3.69Å; F643-H696 HydrophobicContact CZ-CB 3.82Å; F643-H696 AromaticContact CZ-CG 3.7Å; F643-H696 AromaticContact CZ-ND1 3.9Å; K692-H696 WeakPolarHBondContact O-CB 3.43Å; K692-H696 PolarHBondContact O-N 3.23Å; Y693-H696 WeakPolarHBondContact O-CA 3.06Å; Y693-H696 WeakPolarHBondContact O-CB 3.23Å; Y693-H696 PolarHBondContact O-N 2.95Å; M694-H696 VanDerWaalsContact C-N 3.27Å; M694-H696 PolarHBondContact O-N 2.65Å; H696-P700 WeakPolarHBondContact O-CD 3.3Å; H696-P700 WeakPolarHBondContact O-CG 3.49Å; H696-L761 WeakPolarHBondContact CD2-CD2 3.36Å |
| 697 | E | 89.1 | Confident | 89.8 | Confident | 77 Ų | 77 | 57 Ų | 57 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.5 | -38.5 | -177.6 | -65.2 | -55.6 | 107.4 | 0 | 0 | 113.2 | Y693 M694 K701 | Y693-E697 HydrophobicContact CE1-CG 4.4Å; Y693-E697 HydrophobicContact CE2-CG 4.05Å; Y693-E697 PolarHBondContact O-N 3.29Å; M694-E697 PolarHBondContact O-N 2.78Å; E697-K701 WeakPolarHBondContact O-CE 3.34Å |
| 698 | E | 90.6 | Very high | 89.8 | Confident | 86 Ų | 86 | 57 Ų | 57 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -91.6 | -29.4 | -173.6 | -65.6 | -54 | 127.7 | 0 | 0 | 114.2 | M694 K701 A702 V769 | M694-E698 WeakPolarHBondContact O-CB 3.29Å; M694-E698 PolarHBondContact O-N 3.49Å; E698-K701 WeakPolarHBondContact O-CB 3.32Å; E698-K701 PolarHBondContact O-N 3.49Å; E698-K701 VanDerWaalsContact O-N 3.13Å; E698-K701 IonicContact OE1-NZ 2.67Å; E698-K701 PolarHBondContact OE1-NZ 2.94Å; E698-K701 WeakPolarHBondContact OE2-CD 3.15Å; E698-K701 IonicContact OE2-NZ 3.95Å; E698-A702 PolarHBondContact O-N 2.9Å; E698-V769 HydrophobicContact CB-CG2 3.85Å |
| 699 | R | 91.8 | Very high | 89.7 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | -178 | -166.2 | -162.4 | -47.3 | 111.1 | 7.1 | 113.5 | E695 K701 A702 L703 P765 V767 V769 I772 | E695-R699 VanDerWaalsContact C-NH2 3.3Å; E695-R699 WeakPolarHBondContact O-CB 3.47Å; E695-R699 PolarHBondContact O-N 2.86Å; E695-R699 PolarHBondContact O-NH2 2.95Å; E695-R699 IonicContact OE2-NE 3.56Å; R699-K701 VanDerWaalsContact C-N 3.27Å; R699-K701 PolarHBondContact O-N 3.32Å; R699-A702 PolarHBondContact O-N 3.31Å; R699-L703 HydrophobicContact CG-CD1 3.91Å; R699-L703 HydrophobicContact CG-CG 4.24Å; R699-L703 WeakPolarHBondContact O-CB 3.49Å; R699-L703 WeakPolarHBondContact O-CD1 3.39Å; R699-L703 WeakPolarHBondContact O-CG 3.48Å; R699-L703 PolarHBondContact O-N 3.31Å; R699-P765 VanDerWaalsContact NH2-CB 3.25Å; R699-V767 PolarHBondContact NE-O 3.46Å; R699-V769 HydrophobicContact CB-CG2 4Å; R699-I772 HydrophobicContact CG-CD1 3.47Å; R699-I772 VanDerWaalsContact CG-CD1 3.47Å |
| 700 | P | 88.9 | Confident | 89.8 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -36 | 174.8 | -24.4 | 35.2 | 0 | 0 | 0 | 112.9 | H696 N704 | H696-P700 WeakPolarHBondContact O-CD 3.3Å; H696-P700 WeakPolarHBondContact O-CG 3.49Å; P700-N704 VanDerWaalsContact O-CB 3.25Å; P700-N704 WeakPolarHBondContact O-CB 3.5Å; P700-N704 PolarHBondContact O-N 3Å |
| 701 | K | 91.7 | Very high | 89.7 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.6 | -51.2 | 177.2 | -54.3 | 170.8 | -168.3 | 165.8 | 0 | 110.1 | E697 E698 R699 L703 N704 D705 | E697-K701 WeakPolarHBondContact O-CE 3.34Å; E698-K701 WeakPolarHBondContact O-CB 3.32Å; E698-K701 PolarHBondContact O-N 3.49Å; E698-K701 VanDerWaalsContact O-N 3.13Å; E698-K701 IonicContact OE1-NZ 2.67Å; E698-K701 PolarHBondContact OE1-NZ 2.94Å; E698-K701 WeakPolarHBondContact OE2-CD 3.15Å; E698-K701 IonicContact OE2-NZ 3.95Å; R699-K701 VanDerWaalsContact C-N 3.27Å; R699-K701 PolarHBondContact O-N 3.32Å; K701-L703 PolarHBondContact O-N 2.97Å; K701-N704 WeakPolarHBondContact O-CB 3.07Å; K701-N704 PolarHBondContact O-N 3.29Å; K701-D705 PolarHBondContact O-N 2.86Å |
| 702 | A | 90.3 | Very high | 89.7 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | E698 R699 L706 V769 I772 | E698-A702 PolarHBondContact O-N 2.9Å; R699-A702 PolarHBondContact O-N 3.31Å; A702-L706 WeakPolarHBondContact O-CB 3.46Å; A702-L706 PolarHBondContact O-N 3.3Å; A702-V769 HydrophobicContact CB-CG1 4.33Å; A702-I772 HydrophobicContact CB-CB 4.26Å; A702-I772 HydrophobicContact CB-CD1 4.32Å; A702-I772 HydrophobicContact CB-CG2 3.86Å; A702-I772 WeakPolarHBondContact O-CG2 3.06Å |
| 703 | L | 90 | Very high | 89.5 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.3 | -71.4 | 166.9 | 0 | 0 | 0 | 111.7 | R699 K701 L706 G707 L749 M753 I772 | R699-L703 HydrophobicContact CG-CD1 3.91Å; R699-L703 HydrophobicContact CG-CG 4.24Å; R699-L703 WeakPolarHBondContact O-CB 3.49Å; R699-L703 WeakPolarHBondContact O-CD1 3.39Å; R699-L703 WeakPolarHBondContact O-CG 3.48Å; R699-L703 PolarHBondContact O-N 3.31Å; K701-L703 PolarHBondContact O-N 2.97Å; L703-L706 PolarHBondContact O-N 3.37Å; L703-G707 PolarHBondContact O-N 3.1Å; L703-L749 HydrophobicContact CB-CD1 4.38Å; L703-L749 HydrophobicContact CD2-CD1 3.51Å; L703-M753 HydrophobicContact CD1-CG 3.99Å; L703-M753 HydrophobicContact CD2-CG 4.08Å; L703-I772 HydrophobicContact CD2-CD1 3.72Å; L703-I772 HydrophobicContact CD2-CG1 4.05Å; L703-I772 HydrophobicContact CG-CD1 3.79Å |
| 704 | N | 89.7 | Confident | 89.4 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.8 | -172 | 2.3 | 0 | 0 | 0 | 111.1 | P700 K701 G707 K708 | P700-N704 VanDerWaalsContact O-CB 3.25Å; P700-N704 WeakPolarHBondContact O-CB 3.5Å; P700-N704 PolarHBondContact O-N 3Å; K701-N704 WeakPolarHBondContact O-CB 3.07Å; K701-N704 PolarHBondContact O-N 3.29Å; N704-G707 CarbonylContact O-C 3.36Å; N704-G707 WeakPolarHBondContact O-CA 3.44Å; N704-G707 PolarHBondContact O-N 2.83Å; N704-G707 VanDerWaalsContact O-N 3.13Å; N704-K708 WeakPolarHBondContact O-CG 3.3Å; N704-K708 PolarHBondContact O-N 2.53Å; N704-K708 WeakPolarHBondContact OD1-CE 3.39Å |
| 705 | D | 90.1 | Very high | 89.3 | Confident | 80 Ų | 80 | 61 Ų | 61 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 179.5 | -69.5 | -23.4 | 0 | 0 | 0 | 113.3 | K701 K708 K709 | K701-D705 PolarHBondContact O-N 2.86Å; D705-K708 PolarHBondContact O-N 2.66Å; D705-K708 WeakPolarHBondContact OD1-CE 3.23Å; D705-K708 IonicContact OD1-NZ 3.9Å; D705-K708 PolarHBondContact OD1-NZ 3.49Å; D705-K709 PolarHBondContact O-N 3.27Å; D705-K709 VanDerWaalsContact O-N 3.15Å |
| 706 | L | 90.1 | Very high | 89 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 167.8 | 179.6 | 54.9 | 0 | 0 | 0 | 111.3 | A702 L703 K709 I710 W748 L749 I772 K775 L779 | A702-L706 WeakPolarHBondContact O-CB 3.46Å; A702-L706 PolarHBondContact O-N 3.3Å; L703-L706 PolarHBondContact O-N 3.37Å; L706-K709 PolarHBondContact O-N 2.96Å; L706-I710 HydrophobicContact CD1-CD1 4.18Å; L706-I710 HydrophobicContact CD1-CG1 4.46Å; L706-I710 HydrophobicContact CG-CD1 4.07Å; L706-I710 WeakPolarHBondContact O-CG1 3.44Å; L706-I710 PolarHBondContact O-N 2.8Å; L706-W748 HydrophobicContact CD2-CE3 4.4Å; L706-W748 HydrophobicContact CD2-CZ3 3.84Å; L706-L749 HydrophobicContact CD2-CD1 4.06Å; L706-L749 HydrophobicContact CG-CD1 4.34Å; L706-I772 HydrophobicContact CB-CG2 4.14Å; L706-I772 HydrophobicContact CD2-CG2 3.9Å; L706-K775 HydrophobicContact CD2-CB 4.41Å; L706-L779 HydrophobicContact CD1-CD1 4.16Å |
| 707 | G | 89.5 | Confident | 88.8 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | L703 N704 K709 I710 Q711 | L703-G707 PolarHBondContact O-N 3.1Å; N704-G707 CarbonylContact O-C 3.36Å; N704-G707 WeakPolarHBondContact O-CA 3.44Å; N704-G707 PolarHBondContact O-N 2.83Å; N704-G707 VanDerWaalsContact O-N 3.13Å; G707-K709 PolarHBondContact O-N 2.64Å; G707-I710 PolarHBondContact O-N 3.23Å; G707-Q711 WeakPolarHBondContact O-CG 3.18Å; G707-Q711 PolarHBondContact O-N 3.49Å |
| 708 | K | 90.4 | Very high | 88.6 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175 | -69.3 | 169.8 | -161.9 | 162.1 | 0 | 112 | N704 D705 Q711 L712 | N704-K708 WeakPolarHBondContact O-CG 3.3Å; N704-K708 PolarHBondContact O-N 2.53Å; N704-K708 WeakPolarHBondContact OD1-CE 3.39Å; D705-K708 PolarHBondContact O-N 2.66Å; D705-K708 WeakPolarHBondContact OD1-CE 3.23Å; D705-K708 IonicContact OD1-NZ 3.9Å; D705-K708 PolarHBondContact OD1-NZ 3.49Å; K708-Q711 PolarHBondContact O-N 2.87Å; K708-L712 WeakPolarHBondContact O-CB 3.36Å; K708-L712 PolarHBondContact O-N 2.89Å |
| 709 | K | 88.1 | Confident | 88.2 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.4 | -74.5 | -175.1 | 179.6 | -176.5 | 0 | 112.5 | D705 L706 G707 Q711 L712 V713 S776 L779 D780 | D705-K709 PolarHBondContact O-N 3.27Å; D705-K709 VanDerWaalsContact O-N 3.15Å; L706-K709 PolarHBondContact O-N 2.96Å; G707-K709 PolarHBondContact O-N 2.64Å; K709-Q711 VanDerWaalsContact C-N 3.33Å; K709-Q711 PolarHBondContact O-N 2.72Å; K709-L712 PolarHBondContact O-N 3.25Å; K709-V713 PolarHBondContact O-N 2.78Å; K709-S776 WeakPolarHBondContact CD-OG 3.5Å; K709-S776 PolarHBondContact NZ-OG 2.62Å; K709-L779 HydrophobicContact CB-CD2 4.39Å; K709-D780 VanDerWaalsContact NZ-CG 3.27Å; K709-D780 IonicContact NZ-OD1 2.94Å; K709-D780 PolarHBondContact NZ-OD1 3.45Å; K709-D780 IonicContact NZ-OD2 3.27Å; K709-D780 PolarHBondContact NZ-OD2 3.02Å |
| 710 | I | 90.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 173.6 | -74.7 | 165.4 | 0 | 0 | 0 | 110 | L706 G707 L712 V713 M714 I742 A745 M746 L749 L779 | L706-I710 HydrophobicContact CD1-CD1 4.18Å; L706-I710 HydrophobicContact CD1-CG1 4.46Å; L706-I710 HydrophobicContact CG-CD1 4.07Å; L706-I710 WeakPolarHBondContact O-CG1 3.44Å; L706-I710 PolarHBondContact O-N 2.8Å; G707-I710 PolarHBondContact O-N 3.23Å; I710-L712 PolarHBondContact O-N 2.83Å; I710-V713 PolarHBondContact O-N 2.67Å; I710-M714 HydrophobicContact CG2-CG 4.47Å; I710-M714 HydrophobicContact CG2-SD 3.94Å; I710-M714 VanDerWaalsContact O-CG 3.29Å; I710-M714 WeakPolarHBondContact O-CG 3.32Å; I710-M714 PolarHBondContact O-N 3.32Å; I710-I742 HydrophobicContact CG2-CG2 4.26Å; I710-A745 HydrophobicContact CD1-CB 4.3Å; I710-M746 HydrophobicContact CG2-CB 4.01Å; I710-M746 HydrophobicContact CG2-CG 4.06Å; I710-M746 HydrophobicContact CG2-SD 4.12Å; I710-L749 HydrophobicContact CD1-CB 4.47Å; I710-L749 HydrophobicContact CD1-CD2 4.08Å; I710-L779 HydrophobicContact CD1-CD1 4.32Å; I710-L779 HydrophobicContact CG1-CD1 3.55Å |
| 711 | Q | 88.5 | Confident | 87.4 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 176.6 | -73.7 | -176.3 | -8.4 | 0 | 0 | 113.6 | G707 K708 K709 M714 K715 | G707-Q711 WeakPolarHBondContact O-CG 3.18Å; G707-Q711 PolarHBondContact O-N 3.49Å; K708-Q711 PolarHBondContact O-N 2.87Å; K709-Q711 VanDerWaalsContact C-N 3.33Å; K709-Q711 PolarHBondContact O-N 2.72Å; Q711-M714 PolarHBondContact O-N 2.87Å; Q711-K715 WeakPolarHBondContact O-CG 3.47Å; Q711-K715 PolarHBondContact O-N 2.85Å |
| 712 | L | 88.3 | Confident | 87.1 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.5 | -178 | 64.2 | 0 | 0 | 0 | 111.2 | K708 K709 I710 K715 V716 | K708-L712 WeakPolarHBondContact O-CB 3.36Å; K708-L712 PolarHBondContact O-N 2.89Å; K709-L712 PolarHBondContact O-N 3.25Å; I710-L712 PolarHBondContact O-N 2.83Å; L712-K715 PolarHBondContact O-N 2.87Å; L712-V716 PolarHBondContact O-N 2.87Å |
| 713 | V | 85.4 | Confident | 86.5 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | K709 I710 K715 V716 I717 V738 I742 L779 C783 I787 | K709-V713 PolarHBondContact O-N 2.78Å; I710-V713 PolarHBondContact O-N 2.67Å; V713-K715 VanDerWaalsContact C-N 3.28Å; V713-K715 PolarHBondContact O-N 2.84Å; V713-V716 WeakPolarHBondContact O-CA 3.45Å; V713-V716 WeakPolarHBondContact O-CB 3.4Å; V713-V716 PolarHBondContact O-N 3.2Å; V713-I717 HydrophobicContact CG1-CD1 4.01Å; V713-I717 HydrophobicContact CG1-CG1 4.42Å; V713-I717 PolarHBondContact O-N 3.42Å; V713-V738 HydrophobicContact CG1-CG1 3.92Å; V713-I742 HydrophobicContact CB-CD1 3.74Å; V713-I742 HydrophobicContact CB-CG1 4.21Å; V713-I742 HydrophobicContact CG1-CD1 3.61Å; V713-I742 HydrophobicContact CG1-CG1 3.57Å; V713-I742 HydrophobicContact CG2-CD1 4.14Å; V713-L779 HydrophobicContact CG2-CD2 4.36Å; V713-C783 HydrophobicContact CG2-CB 4.42Å; V713-I787 HydrophobicContact CB-CD1 4.23Å; V713-I787 HydrophobicContact CG1-CD1 3.5Å; V713-I787 VanDerWaalsContact CG1-CD1 3.5Å; V713-I787 HydrophobicContact CG2-CD1 3.87Å |
| 714 | M | 86.4 | Confident | 85.9 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 174.4 | -72.7 | 178.5 | 76.3 | 0 | 0 | 112.2 | I710 Q711 V716 I717 E718 I742 M746 | I710-M714 HydrophobicContact CG2-CG 4.47Å; I710-M714 HydrophobicContact CG2-SD 3.94Å; I710-M714 VanDerWaalsContact O-CG 3.29Å; I710-M714 WeakPolarHBondContact O-CG 3.32Å; I710-M714 PolarHBondContact O-N 3.32Å; Q711-M714 PolarHBondContact O-N 2.87Å; M714-V716 VanDerWaalsContact C-N 3.28Å; M714-V716 PolarHBondContact O-N 3.12Å; M714-I717 PolarHBondContact O-N 2.9Å; M714-E718 WeakPolarHBondContact O-CB 3.3Å; M714-E718 PolarHBondContact O-N 3.45Å; M714-I742 HydrophobicContact CG-CG2 3.68Å; M714-I742 HydrophobicContact SD-CG2 4.5Å; M714-M746 HydrophobicContact CE-SD 4.32Å; M714-M746 HydrophobicContact SD-SD 3.79Å |
| 715 | K | 87.8 | Confident | 85 | Confident | 141 Ų | 141 | 73.9 Ų | 73.9 | 61% | 0.613 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.1 | -31.1 | 173.8 | -75.1 | 178.3 | 177.6 | -176.9 | 0 | 113.4 | Q711 L712 V713 A719 | Q711-K715 WeakPolarHBondContact O-CG 3.47Å; Q711-K715 PolarHBondContact O-N 2.85Å; L712-K715 PolarHBondContact O-N 2.87Å; V713-K715 VanDerWaalsContact C-N 3.28Å; V713-K715 PolarHBondContact O-N 2.84Å; K715-A719 WeakPolarHBondContact O-CB 3.34Å; K715-A719 PolarHBondContact O-N 2.69Å |
| 716 | V | 84.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.7 | -40.2 | 174.1 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | L712 V713 M714 E718 A719 Y720 Y727 I787 | L712-V716 PolarHBondContact O-N 2.87Å; V713-V716 WeakPolarHBondContact O-CA 3.45Å; V713-V716 WeakPolarHBondContact O-CB 3.4Å; V713-V716 PolarHBondContact O-N 3.2Å; M714-V716 VanDerWaalsContact C-N 3.28Å; M714-V716 PolarHBondContact O-N 3.12Å; V716-E718 VanDerWaalsContact C-N 3.27Å; V716-E718 PolarHBondContact O-N 3.47Å; V716-A719 PolarHBondContact O-N 2.9Å; V716-Y720 WeakPolarHBondContact O-CB 3.48Å; V716-Y720 PolarHBondContact O-N 3.46Å; V716-Y727 HydrophobicContact CG1-CD1 3.7Å; V716-Y727 HydrophobicContact CG1-CD2 4.24Å; V716-Y727 HydrophobicContact CG1-CE1 3.53Å; V716-Y727 HydrophobicContact CG1-CE2 4.1Å; V716-Y727 HydrophobicContact CG1-CG 4.06Å; V716-I787 HydrophobicContact CG1-CG1 4.44Å; V716-I787 HydrophobicContact CG1-CG2 3.9Å; V716-I787 HydrophobicContact CG2-CG2 4.41Å |
| 717 | I | 83.3 | Confident | 83.5 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 173.1 | -63.2 | 159.1 | 0 | 0 | 0 | 110.4 | V713 M714 Y720 R721 M735 V738 E739 I742 | V713-I717 HydrophobicContact CG1-CD1 4.01Å; V713-I717 HydrophobicContact CG1-CG1 4.42Å; V713-I717 PolarHBondContact O-N 3.42Å; M714-I717 PolarHBondContact O-N 2.9Å; I717-Y720 PolarHBondContact O-N 2.79Å; I717-R721 VanDerWaalsContact O-CG 3.32Å; I717-R721 WeakPolarHBondContact O-CG 3.25Å; I717-R721 PolarHBondContact O-N 2.87Å; I717-M735 HydrophobicContact CG1-CE 4.1Å; I717-V738 HydrophobicContact CD1-CG1 4.33Å; I717-E739 HydrophobicContact CD1-CB 4.08Å; I717-E739 HydrophobicContact CD1-CG 4.37Å; I717-E739 HydrophobicContact CG2-CB 4.29Å; I717-E739 HydrophobicContact CG2-CG 4.25Å; I717-I742 HydrophobicContact CD1-CB 4.43Å; I717-I742 HydrophobicContact CD1-CG1 4.43Å; I717-I742 HydrophobicContact CD1-CG2 4.46Å |
| 718 | E | 84.3 | Confident | 82.7 | Confident | 119 Ų | 119 | 82.8 Ų | 82.8 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.1 | -42.3 | 175.5 | -171.2 | 169.4 | -145.4 | 0 | 0 | 112.4 | M714 V716 Y720 R721 N722 | M714-E718 WeakPolarHBondContact O-CB 3.3Å; M714-E718 PolarHBondContact O-N 3.45Å; V716-E718 VanDerWaalsContact C-N 3.27Å; V716-E718 PolarHBondContact O-N 3.47Å; E718-Y720 PolarHBondContact O-N 2.83Å; E718-R721 PolarHBondContact O-N 2.85Å; E718-N722 WeakPolarHBondContact O-CB 3.34Å; E718-N722 VanDerWaalsContact O-CG 3.28Å; E718-N722 PolarHBondContact O-N 2.86Å; E718-N722 PolarHBondContact O-ND2 3.26Å; E718-N722 VanDerWaalsContact O-ND2 3.15Å |
| 719 | A | 83.4 | Confident | 81.9 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K715 V716 N722 K723 D724 Y727 | K715-A719 WeakPolarHBondContact O-CB 3.34Å; K715-A719 PolarHBondContact O-N 2.69Å; V716-A719 PolarHBondContact O-N 2.9Å; A719-N722 CarbonylContact O-C 3.48Å; A719-N722 PolarHBondContact O-N 3.15Å; A719-K723 PolarHBondContact O-N 3.05Å; A719-D724 HydrophobicContact CB-CB 3.93Å; A719-D724 VanDerWaalsContact O-CB 3.27Å; A719-D724 WeakPolarHBondContact O-CB 3.29Å; A719-D724 PolarHBondContact O-N 3.17Å; A719-Y727 HydrophobicContact CB-CD2 3.9Å; A719-Y727 HydrophobicContact CB-CE2 4.1Å |
| 720 | Y | 82.5 | Confident | 81.5 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 18% | 0.18 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.4 | 171.7 | -106.7 | 0 | 0 | 0 | 112 | V716 I717 E718 N722 K723 Y727 L730 P732 M735 | V716-Y720 WeakPolarHBondContact O-CB 3.48Å; V716-Y720 PolarHBondContact O-N 3.46Å; I717-Y720 PolarHBondContact O-N 2.79Å; E718-Y720 PolarHBondContact O-N 2.83Å; Y720-N722 VanDerWaalsContact C-N 3.25Å; Y720-N722 PolarHBondContact O-N 2.75Å; Y720-K723 PolarHBondContact O-N 3.46Å; Y720-Y727 VanDerWaalsContact CD2-O 3.3Å; Y720-Y727 WeakPolarHBondContact CD2-O 3.47Å; Y720-L730 HydrophobicContact CD2-CB 4.49Å; Y720-L730 HydrophobicContact CE2-CB 4.27Å; Y720-P732 WeakPolarHBondContact OH-CA 3.35Å; Y720-M735 HydrophobicContact CD1-CB 4.16Å; Y720-M735 HydrophobicContact CD1-CE 3.89Å; Y720-M735 HydrophobicContact CD1-CG 4.18Å; Y720-M735 HydrophobicContact CD2-CG 4.42Å; Y720-M735 HydrophobicContact CE1-CB 3.76Å; Y720-M735 HydrophobicContact CE1-CG 4Å; Y720-M735 HydrophobicContact CE2-CG 4.25Å; Y720-M735 HydrophobicContact CG-CE 3.86Å; Y720-M735 HydrophobicContact CG-CG 4.4Å |
| 721 | R | 81 | Confident | 81 | Confident | 159 Ų | 159 | 81.3 Ų | 81.3 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.3 | -35.3 | 174.3 | -77 | 171.5 | 169.7 | -165.3 | -7.4 | 113.1 | I717 E718 K723 E739 | I717-R721 VanDerWaalsContact O-CG 3.32Å; I717-R721 WeakPolarHBondContact O-CG 3.25Å; I717-R721 PolarHBondContact O-N 2.87Å; E718-R721 PolarHBondContact O-N 2.85Å; R721-K723 PolarHBondContact O-N 3.41Å; R721-E739 IonicContact CZ-OE1 3.74Å; R721-E739 IonicContact CZ-OE2 2.86Å; R721-E739 IonicContact NE-OE2 3.41Å; R721-E739 IonicContact NH1-OE1 2.67Å; R721-E739 IonicContact NH2-OE1 3.36Å; R721-E739 PolarHBondContact NH2-OE1 3.33Å; R721-E739 IonicContact NH2-OE2 3.34Å; R721-E739 PolarHBondContact NH2-OE2 2.78Å |
| 722 | N | 84.7 | Confident | 80.6 | Confident | 122 Ų | 122 | 79.9 Ų | 79.9 | 65% | 0.652 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 4.4 | 176.4 | -67.6 | -30 | 0 | 0 | 0 | 113.7 | E718 A719 Y720 D724 | E718-N722 WeakPolarHBondContact O-CB 3.34Å; E718-N722 VanDerWaalsContact O-CG 3.28Å; E718-N722 PolarHBondContact O-N 2.86Å; E718-N722 PolarHBondContact O-ND2 3.26Å; E718-N722 VanDerWaalsContact O-ND2 3.15Å; A719-N722 CarbonylContact O-C 3.48Å; A719-N722 PolarHBondContact O-N 3.15Å; Y720-N722 VanDerWaalsContact C-N 3.25Å; Y720-N722 PolarHBondContact O-N 2.75Å; N722-D724 PolarHBondContact O-N 2.69Å |
| 723 | K | 79.5 | Confident | 80.2 | Confident | 152 Ų | 152 | 77.3 Ų | 77.3 | 66% | 0.661 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 42.4 | -177.8 | -56.1 | -165 | 173.2 | -156.7 | 0 | 114.3 | A719 Y720 R721 E725 | A719-K723 PolarHBondContact O-N 3.05Å; Y720-K723 PolarHBondContact O-N 3.46Å; R721-K723 PolarHBondContact O-N 3.41Å; K723-E725 PolarHBondContact O-N 3.01Å |
| 724 | D | 76.6 | Confident | 80 | Confident | 43 Ų | 43 | 79.3 Ų | 79.3 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | trans | -57.7 | 126.3 | 167 | -172.3 | -53.5 | 0 | 0 | 0 | 109.7 | A719 N722 R726 Y727 D728 | A719-D724 HydrophobicContact CB-CB 3.93Å; A719-D724 VanDerWaalsContact O-CB 3.27Å; A719-D724 WeakPolarHBondContact O-CB 3.29Å; A719-D724 PolarHBondContact O-N 3.17Å; N722-D724 PolarHBondContact O-N 2.69Å; D724-R726 PolarHBondContact O-N 3.25Å; D724-R726 VanDerWaalsContact OD1-CB 3.25Å; D724-R726 WeakPolarHBondContact OD1-CB 3.39Å; D724-R726 WeakPolarHBondContact OD1-CG 3.33Å; D724-R726 IonicContact OD1-CZ 3Å; D724-R726 PolarHBondContact OD1-N 3.2Å; D724-R726 IonicContact OD1-NE 2.63Å; D724-R726 PolarHBondContact OD1-NE 2.89Å; D724-R726 IonicContact OD1-NH2 3.25Å; D724-R726 IonicContact OD2-CZ 2.78Å; D724-R726 IonicContact OD2-NE 2.84Å; D724-R726 PolarHBondContact OD2-NE 3.38Å; D724-R726 IonicContact OD2-NH2 3.73Å; D724-R726 PolarHBondContact OD2-NH2 3.43Å; D724-Y727 HydrophobicContact CB-CD2 4.23Å; D724-Y727 PolarHBondContact O-N 2.81Å; D724-D728 PolarHBondContact O-N 2.92Å; D724-D728 VanDerWaalsContact O-N 3.13Å | ||
| 725 | E | 70.5 | Confident | 79.8 | Confident | 157 Ų | 157 | 75.6 Ų | 75.6 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -22.2 | -176.8 | -64.7 | -171.4 | 164.5 | 0 | 0 | 113.5 | K723 Y727 K791 | K723-E725 PolarHBondContact O-N 3.01Å; E725-Y727 VanDerWaalsContact C-N 3.3Å; E725-K791 WeakPolarHBondContact O-CE 3.38Å; E725-K791 PolarHBondContact O-NZ 3.17Å |
| 726 | R | 72.3 | Confident | 79.7 | Confident | 158 Ų | 158 | 75.8 Ų | 75.8 | 60% | 0.596 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.2 | 179.9 | -61.1 | 173.5 | -68.9 | 171.4 | -1.6 | 113.7 | D724 H729 | D724-R726 PolarHBondContact O-N 3.25Å; D724-R726 VanDerWaalsContact OD1-CB 3.25Å; D724-R726 WeakPolarHBondContact OD1-CB 3.39Å; D724-R726 WeakPolarHBondContact OD1-CG 3.33Å; D724-R726 IonicContact OD1-CZ 3Å; D724-R726 PolarHBondContact OD1-N 3.2Å; D724-R726 IonicContact OD1-NE 2.63Å; D724-R726 PolarHBondContact OD1-NE 2.89Å; D724-R726 IonicContact OD1-NH2 3.25Å; D724-R726 IonicContact OD2-CZ 2.78Å; D724-R726 IonicContact OD2-NE 2.84Å; D724-R726 PolarHBondContact OD2-NE 3.38Å; D724-R726 IonicContact OD2-NH2 3.73Å; D724-R726 PolarHBondContact OD2-NH2 3.43Å; R726-H729 PolarHBondContact O-CE1 3.27Å |
| 727 | Y | 75.7 | Confident | 79.7 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | -15.7 | -173.3 | -56.2 | -67.5 | 0 | 0 | 0 | 114.9 | V716 A719 Y720 D724 E725 H729 L730 I787 | V716-Y727 HydrophobicContact CG1-CD1 3.7Å; V716-Y727 HydrophobicContact CG1-CD2 4.24Å; V716-Y727 HydrophobicContact CG1-CE1 3.53Å; V716-Y727 HydrophobicContact CG1-CE2 4.1Å; V716-Y727 HydrophobicContact CG1-CG 4.06Å; A719-Y727 HydrophobicContact CB-CD2 3.9Å; A719-Y727 HydrophobicContact CB-CE2 4.1Å; Y720-Y727 VanDerWaalsContact CD2-O 3.3Å; Y720-Y727 WeakPolarHBondContact CD2-O 3.47Å; D724-Y727 HydrophobicContact CB-CD2 4.23Å; D724-Y727 PolarHBondContact O-N 2.81Å; E725-Y727 VanDerWaalsContact C-N 3.3Å; Y727-H729 PolarHBondContact O-N 3.01Å; Y727-L730 HydrophobicContact CD1-CD1 4.07Å; Y727-L730 WeakPolarHBondContact O-CB 3.47Å; Y727-L730 WeakPolarHBondContact O-CG 3.28Å; Y727-L730 PolarHBondContact O-N 3.47Å; Y727-I787 HydrophobicContact CE1-CG2 4.46Å |
| 728 | D | 73.6 | Confident | 79.8 | Confident | 90 Ų | 90 | 80.3 Ų | 80.3 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12 | -178.9 | -163.9 | 64.6 | 0 | 0 | 0 | 114.4 | D724 | D724-D728 PolarHBondContact O-N 2.92Å; D724-D728 VanDerWaalsContact O-N 3.13Å |
| 729 | H | 73.9 | Confident | 79.8 | Confident | 57 Ų | 57 | 78 Ų | 78 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -1.7 | 175.3 | 71.1 | -86.9 | 0 | 0 | 0 | 115.2 | R726 Y727 K789 K791 | R726-H729 PolarHBondContact O-CE1 3.27Å; Y727-H729 PolarHBondContact O-N 3.01Å; H729-K789 PolarHBondContact NE2-O 3.43Å; H729-K791 HydrophobicContact CB-CG 4.13Å; H729-K791 VanDerWaalsContact ND1-CG 3.34Å; H729-K791 WeakPolarHBondContact ND1-CG 3.27Å |
| 730 | L | 78.9 | Confident | 80.1 | Confident | 7 Ų | 7 | 83.8 Ų | 83.8 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -79.1 | 148.4 | -179.1 | -63.7 | -177.8 | 0 | 0 | 0 | 111.8 | Y720 Y727 P732 M735 I786 K789 | Y720-L730 HydrophobicContact CD2-CB 4.49Å; Y720-L730 HydrophobicContact CE2-CB 4.27Å; Y727-L730 HydrophobicContact CD1-CD1 4.07Å; Y727-L730 WeakPolarHBondContact O-CB 3.47Å; Y727-L730 WeakPolarHBondContact O-CG 3.28Å; Y727-L730 PolarHBondContact O-N 3.47Å; L730-P732 WeakPolarHBondContact O-CD 3.49Å; L730-M735 HydrophobicContact CB-CG 3.83Å; L730-M735 HydrophobicContact CB-SD 4.31Å; L730-M735 HydrophobicContact CD1-CE 4.44Å; L730-M735 HydrophobicContact CD1-CG 4.3Å; L730-M735 HydrophobicContact CD1-SD 3.67Å; L730-I786 VanDerWaalsContact CD2-O 3.27Å; L730-I786 WeakPolarHBondContact CD2-O 3.37Å; L730-K789 HydrophobicContact CD2-CB 3.81Å |
| 731 | D | 80.5 | Confident | 80.4 | Confident | 74 Ų | 74 | 84.3 Ų | 84.3 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | trans | -68.8 | 124.9 | -178.2 | -177.9 | -63.2 | 0 | 0 | 0 | 110.6 | A733 E734 M735 | D731-A733 VanDerWaalsContact C-N 3.28Å; D731-A733 PolarHBondContact O-N 2.98Å; D731-A733 WeakPolarHBondContact OD1-CA 3.39Å; D731-A733 WeakPolarHBondContact OD1-CB 3.41Å; D731-A733 PolarHBondContact OD1-N 2.88Å; D731-E734 HydrophobicContact CB-CB 4Å; D731-E734 HydrophobicContact CB-CG 3.85Å; D731-E734 PolarHBondContact O-N 2.98Å; D731-E734 VanDerWaalsContact O-N 3.07Å; D731-E734 PolarHBondContact OD1-N 2.79Å; D731-M735 PolarHBondContact O-N 3.02Å | ||
| 732 | P | 79.8 | Confident | 80.8 | Confident | 86 Ų | 86 | 76.9 Ų | 76.9 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.9 | -35.4 | -177.9 | -25.6 | 33.7 | 0 | 0 | 0 | 114.3 | Y720 L730 M735 E736 | Y720-P732 WeakPolarHBondContact OH-CA 3.35Å; L730-P732 WeakPolarHBondContact O-CD 3.49Å; P732-M735 PolarHBondContact O-N 3.17Å; P732-E736 WeakPolarHBondContact O-CB 3.49Å; P732-E736 PolarHBondContact O-N 3.2Å |
| 733 | A | 79.2 | Confident | 80.9 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -84.7 | -12.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D731 K737 | D731-A733 VanDerWaalsContact C-N 3.28Å; D731-A733 PolarHBondContact O-N 2.98Å; D731-A733 WeakPolarHBondContact OD1-CA 3.39Å; D731-A733 WeakPolarHBondContact OD1-CB 3.41Å; D731-A733 PolarHBondContact OD1-N 2.88Å; A733-K737 VanDerWaalsContact O-CD 3.24Å; A733-K737 WeakPolarHBondContact O-CD 2.96Å; A733-K737 WeakPolarHBondContact O-CE 3.42Å; A733-K737 VanDerWaalsContact O-CG 3.26Å; A733-K737 WeakPolarHBondContact O-CG 3.32Å; A733-K737 PolarHBondContact O-NZ 3.31Å |
| 734 | E | 81.3 | Confident | 81.4 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 23% | 0.234 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -81 | -43.1 | 161.2 | -66.2 | -178.9 | 154.9 | 0 | 0 | 110.8 | D731 E736 K737 V738 I786 K789 | D731-E734 HydrophobicContact CB-CB 4Å; D731-E734 HydrophobicContact CB-CG 3.85Å; D731-E734 PolarHBondContact O-N 2.98Å; D731-E734 VanDerWaalsContact O-N 3.07Å; D731-E734 PolarHBondContact OD1-N 2.79Å; E734-E736 PolarHBondContact O-N 3.12Å; E734-K737 WeakPolarHBondContact O-CB 3.45Å; E734-K737 PolarHBondContact O-N 2.89Å; E734-K737 VanDerWaalsContact O-N 3.13Å; E734-V738 PolarHBondContact O-N 2.91Å; E734-I786 HydrophobicContact CB-CD1 4.33Å; E734-I786 HydrophobicContact CB-CG1 4.47Å; E734-I786 HydrophobicContact CB-CG2 3.73Å; E734-K789 IonicContact OE1-NZ 3.47Å; E734-K789 PolarHBondContact OE1-NZ 2.8Å; E734-K789 IonicContact OE2-NZ 3.85Å; E734-K789 PolarHBondContact OE2-NZ 3Å |
| 735 | M | 83.2 | Confident | 82 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.02 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 178.9 | -74.7 | -60.6 | -69.4 | 0 | 0 | 113.2 | I717 Y720 L730 D731 P732 K737 V738 E739 I786 | I717-M735 HydrophobicContact CG1-CE 4.1Å; Y720-M735 HydrophobicContact CD1-CB 4.16Å; Y720-M735 HydrophobicContact CD1-CE 3.89Å; Y720-M735 HydrophobicContact CD1-CG 4.18Å; Y720-M735 HydrophobicContact CD2-CG 4.42Å; Y720-M735 HydrophobicContact CE1-CB 3.76Å; Y720-M735 HydrophobicContact CE1-CG 4Å; Y720-M735 HydrophobicContact CE2-CG 4.25Å; Y720-M735 HydrophobicContact CG-CE 3.86Å; Y720-M735 HydrophobicContact CG-CG 4.4Å; L730-M735 HydrophobicContact CB-CG 3.83Å; L730-M735 HydrophobicContact CB-SD 4.31Å; L730-M735 HydrophobicContact CD1-CE 4.44Å; L730-M735 HydrophobicContact CD1-CG 4.3Å; L730-M735 HydrophobicContact CD1-SD 3.67Å; D731-M735 PolarHBondContact O-N 3.02Å; P732-M735 PolarHBondContact O-N 3.17Å; M735-K737 VanDerWaalsContact C-N 3.29Å; M735-K737 PolarHBondContact O-N 2.97Å; M735-V738 PolarHBondContact O-N 2.72Å; M735-E739 PolarHBondContact O-N 2.82Å; M735-I786 HydrophobicContact SD-CG2 4.16Å |
| 736 | E | 84.4 | Confident | 82.9 | Confident | 144 Ų | 144 | 65.5 Ų | 65.5 | 67% | 0.673 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 171.9 | -173.2 | -178.2 | -168.3 | 0 | 0 | 111.9 | P732 E734 E739 K740 | P732-E736 WeakPolarHBondContact O-CB 3.49Å; P732-E736 PolarHBondContact O-N 3.2Å; E734-E736 PolarHBondContact O-N 3.12Å; E736-E739 PolarHBondContact O-N 2.96Å; E736-K740 WeakPolarHBondContact O-CB 3.4Å; E736-K740 PolarHBondContact O-N 2.93Å |
| 737 | K | 85.3 | Confident | 83.7 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 174.8 | -64.5 | 168.7 | -168.4 | 121 | 0 | 111.5 | A733 E734 M735 Y741 F782 | A733-K737 VanDerWaalsContact O-CD 3.24Å; A733-K737 WeakPolarHBondContact O-CD 2.96Å; A733-K737 WeakPolarHBondContact O-CE 3.42Å; A733-K737 VanDerWaalsContact O-CG 3.26Å; A733-K737 WeakPolarHBondContact O-CG 3.32Å; A733-K737 PolarHBondContact O-NZ 3.31Å; E734-K737 WeakPolarHBondContact O-CB 3.45Å; E734-K737 PolarHBondContact O-N 2.89Å; E734-K737 VanDerWaalsContact O-N 3.13Å; M735-K737 VanDerWaalsContact C-N 3.29Å; M735-K737 PolarHBondContact O-N 2.97Å; K737-Y741 VanDerWaalsContact O-CB 3.31Å; K737-Y741 WeakPolarHBondContact O-CB 3.44Å; K737-Y741 PolarHBondContact O-N 3.25Å; K737-F782 HydrophobicContact CB-CZ 4.27Å |
| 738 | V | 84.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 174 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | V713 I717 E734 M735 K740 Y741 I742 F782 C783 I786 I787 | V713-V738 HydrophobicContact CG1-CG1 3.92Å; I717-V738 HydrophobicContact CD1-CG1 4.33Å; E734-V738 PolarHBondContact O-N 2.91Å; M735-V738 PolarHBondContact O-N 2.72Å; V738-K740 PolarHBondContact O-N 2.93Å; V738-Y741 PolarHBondContact O-N 3.23Å; V738-I742 HydrophobicContact CG1-CG1 4.26Å; V738-I742 WeakPolarHBondContact O-CB 3.36Å; V738-I742 WeakPolarHBondContact O-CG1 3.47Å; V738-I742 PolarHBondContact O-N 3.5Å; V738-F782 HydrophobicContact CG2-CE1 4.49Å; V738-C783 HydrophobicContact CG1-CB 4.3Å; V738-I786 HydrophobicContact CG2-CB 3.88Å; V738-I786 HydrophobicContact CG2-CD1 3.55Å; V738-I786 HydrophobicContact CG2-CG1 4.3Å; V738-I786 HydrophobicContact CG2-CG2 3.73Å; V738-I787 HydrophobicContact CG1-CD1 4.17Å; V738-I787 HydrophobicContact CG1-CG1 4.44Å |
| 739 | E | 85.6 | Confident | 85.3 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 177.2 | -175.7 | 176.9 | 166.3 | 0 | 0 | 111.6 | I717 R721 M735 E736 Y741 I742 S743 | I717-E739 HydrophobicContact CD1-CB 4.08Å; I717-E739 HydrophobicContact CD1-CG 4.37Å; I717-E739 HydrophobicContact CG2-CB 4.29Å; I717-E739 HydrophobicContact CG2-CG 4.25Å; R721-E739 IonicContact CZ-OE1 3.74Å; R721-E739 IonicContact CZ-OE2 2.86Å; R721-E739 IonicContact NE-OE2 3.41Å; R721-E739 IonicContact NH1-OE1 2.67Å; R721-E739 IonicContact NH2-OE1 3.36Å; R721-E739 PolarHBondContact NH2-OE1 3.33Å; R721-E739 IonicContact NH2-OE2 3.34Å; R721-E739 PolarHBondContact NH2-OE2 2.78Å; M735-E739 PolarHBondContact O-N 2.82Å; E736-E739 PolarHBondContact O-N 2.96Å; E739-Y741 PolarHBondContact O-N 2.86Å; E739-I742 PolarHBondContact O-N 2.85Å; E739-S743 WeakPolarHBondContact O-CB 3.13Å; E739-S743 PolarHBondContact O-N 2.86Å |
| 740 | K | 88.1 | Confident | 86 | Confident | 139 Ų | 139 | 60 Ų | 60 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.9 | -47.6 | 176 | -176.8 | 173.7 | 178.7 | 177.9 | 0 | 112.1 | E736 V738 I742 S743 D744 | E736-K740 WeakPolarHBondContact O-CB 3.4Å; E736-K740 PolarHBondContact O-N 2.93Å; V738-K740 PolarHBondContact O-N 2.93Å; K740-I742 VanDerWaalsContact C-N 3.28Å; K740-I742 PolarHBondContact O-N 2.82Å; K740-S743 WeakPolarHBondContact O-CB 3.11Å; K740-S743 PolarHBondContact O-N 2.75Å; K740-D744 WeakPolarHBondContact O-CB 3.36Å; K740-D744 PolarHBondContact O-N 3.28Å |
| 741 | Y | 88.6 | Confident | 86.5 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -35.6 | -179.5 | -163.2 | -85.7 | 0 | 0 | 0 | 112.3 | K737 V738 E739 A745 K775 F782 | K737-Y741 VanDerWaalsContact O-CB 3.31Å; K737-Y741 WeakPolarHBondContact O-CB 3.44Å; K737-Y741 PolarHBondContact O-N 3.25Å; V738-Y741 PolarHBondContact O-N 3.23Å; E739-Y741 PolarHBondContact O-N 2.86Å; Y741-A745 VanDerWaalsContact O-CB 3.28Å; Y741-A745 WeakPolarHBondContact O-CB 3.13Å; Y741-A745 PolarHBondContact O-N 2.82Å; Y741-K775 PolarHBondContact OH-NZ 2.83Å; Y741-F782 HydrophobicContact CD1-CB 4.46Å; Y741-F782 AromaticContact CD1-CD1 3.88Å; Y741-F782 HydrophobicContact CD1-CD1 3.88Å; Y741-F782 HydrophobicContact CD1-CG 4.35Å; Y741-F782 AromaticContact CD2-CD1 3.87Å; Y741-F782 HydrophobicContact CD2-CD1 3.87Å; Y741-F782 AromaticContact CD2-CE1 3.94Å; Y741-F782 HydrophobicContact CD2-CE1 3.94Å; Y741-F782 HydrophobicContact CD2-CG 4.18Å; Y741-F782 HydrophobicContact CD2-CZ 4.3Å; Y741-F782 HydrophobicContact CE1-CB 4.3Å; Y741-F782 HydrophobicContact CE1-CD1 4.48Å; Y741-F782 HydrophobicContact CE2-CD1 4.46Å; Y741-F782 HydrophobicContact CE2-CG 4.33Å; Y741-F782 AromaticContact CG-CD1 3.56Å; Y741-F782 HydrophobicContact CG-CD1 3.56Å; Y741-F782 AromaticContact CG-CE1 3.78Å; Y741-F782 HydrophobicContact CG-CE1 3.78Å; Y741-F782 HydrophobicContact CG-CG 4.2Å |
| 742 | I | 89.7 | Confident | 87 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.8 | -39.8 | 175.6 | -70 | -71 | 0 | 0 | 0 | 111.7 | I710 V713 M714 I717 V738 E739 K740 A745 M746 L779 | I710-I742 HydrophobicContact CG2-CG2 4.26Å; V713-I742 HydrophobicContact CB-CD1 3.74Å; V713-I742 HydrophobicContact CB-CG1 4.21Å; V713-I742 HydrophobicContact CG1-CD1 3.61Å; V713-I742 HydrophobicContact CG1-CG1 3.57Å; V713-I742 HydrophobicContact CG2-CD1 4.14Å; M714-I742 HydrophobicContact CG-CG2 3.68Å; M714-I742 HydrophobicContact SD-CG2 4.5Å; I717-I742 HydrophobicContact CD1-CB 4.43Å; I717-I742 HydrophobicContact CD1-CG1 4.43Å; I717-I742 HydrophobicContact CD1-CG2 4.46Å; V738-I742 HydrophobicContact CG1-CG1 4.26Å; V738-I742 WeakPolarHBondContact O-CB 3.36Å; V738-I742 WeakPolarHBondContact O-CG1 3.47Å; V738-I742 PolarHBondContact O-N 3.5Å; E739-I742 PolarHBondContact O-N 2.85Å; K740-I742 VanDerWaalsContact C-N 3.28Å; K740-I742 PolarHBondContact O-N 2.82Å; I742-A745 PolarHBondContact O-N 2.88Å; I742-M746 WeakPolarHBondContact O-CB 3.46Å; I742-M746 PolarHBondContact O-N 2.79Å; I742-L779 HydrophobicContact CD1-CD1 3.71Å; I742-L779 HydrophobicContact CD1-CD2 4.13Å; I742-L779 HydrophobicContact CD1-CG 3.85Å |
| 743 | S | 88.1 | Confident | 87.3 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 172 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | E739 K740 A745 M746 S747 | E739-S743 WeakPolarHBondContact O-CB 3.13Å; E739-S743 PolarHBondContact O-N 2.86Å; K740-S743 WeakPolarHBondContact O-CB 3.11Å; K740-S743 PolarHBondContact O-N 2.75Å; S743-A745 PolarHBondContact O-N 3.03Å; S743-M746 PolarHBondContact O-N 3.24Å; S743-S747 VanDerWaalsContact O-CB 3.28Å; S743-S747 WeakPolarHBondContact O-CB 3.39Å; S743-S747 PolarHBondContact O-N 2.85Å |
| 744 | D | 89.6 | Confident | 87.7 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.7 | -71.5 | -25 | 0 | 0 | 0 | 111.4 | K740 S747 W748 | K740-D744 WeakPolarHBondContact O-CB 3.36Å; K740-D744 PolarHBondContact O-N 3.28Å; D744-S747 PolarHBondContact O-N 2.93Å; D744-W748 WeakPolarHBondContact O-CB 3.45Å; D744-W748 PolarHBondContact O-N 2.81Å |
| 745 | A | 88.3 | Confident | 87.9 | Confident | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I710 Y741 I742 S743 W748 L749 L779 | I710-A745 HydrophobicContact CD1-CB 4.3Å; Y741-A745 VanDerWaalsContact O-CB 3.28Å; Y741-A745 WeakPolarHBondContact O-CB 3.13Å; Y741-A745 PolarHBondContact O-N 2.82Å; I742-A745 PolarHBondContact O-N 2.88Å; S743-A745 PolarHBondContact O-N 3.03Å; A745-W748 PolarHBondContact O-N 2.8Å; A745-L749 WeakPolarHBondContact O-CB 3.15Å; A745-L749 PolarHBondContact O-N 3.33Å; A745-L779 HydrophobicContact CB-CD1 4.03Å |
| 746 | M | 89.9 | Confident | 88 | Confident | 66 Ų | 66 | 64 Ų | 64 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 176.1 | -165.2 | 176.5 | -168.6 | 0 | 0 | 111.7 | I710 M714 I742 S743 L749 N750 | I710-M746 HydrophobicContact CG2-CB 4.01Å; I710-M746 HydrophobicContact CG2-CG 4.06Å; I710-M746 HydrophobicContact CG2-SD 4.12Å; M714-M746 HydrophobicContact CE-SD 4.32Å; M714-M746 HydrophobicContact SD-SD 3.79Å; I742-M746 WeakPolarHBondContact O-CB 3.46Å; I742-M746 PolarHBondContact O-N 2.79Å; S743-M746 PolarHBondContact O-N 3.24Å; M746-L749 PolarHBondContact O-N 3.49Å; M746-N750 WeakPolarHBondContact O-CB 3.5Å; M746-N750 VanDerWaalsContact O-CG 3.31Å; M746-N750 PolarHBondContact O-N 2.85Å; M746-N750 PolarHBondContact O-ND2 2.89Å |
| 747 | S | 90.3 | Very high | 88.1 | Confident | 74 Ų | 74 | 63 Ų | 63 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 170.8 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | S743 D744 N750 S751 | S743-S747 VanDerWaalsContact O-CB 3.28Å; S743-S747 WeakPolarHBondContact O-CB 3.39Å; S743-S747 PolarHBondContact O-N 2.85Å; D744-S747 PolarHBondContact O-N 2.93Å; S747-N750 PolarHBondContact O-N 3.06Å; S747-S751 WeakPolarHBondContact O-CB 3.37Å; S747-S751 PolarHBondContact O-N 2.86Å |
| 748 | W | 92.4 | Very high | 88.1 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 25% | 0.254 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.8 | -179.1 | 95.3 | 0 | 0 | 0 | 112.4 | L706 D744 A745 S751 K752 V767 I772 K775 | L706-W748 HydrophobicContact CD2-CE3 4.4Å; L706-W748 HydrophobicContact CD2-CZ3 3.84Å; D744-W748 WeakPolarHBondContact O-CB 3.45Å; D744-W748 PolarHBondContact O-N 2.81Å; A745-W748 PolarHBondContact O-N 2.8Å; W748-S751 PolarHBondContact O-N 3.24Å; W748-K752 HydrophobicContact CD2-CG 4.01Å; W748-K752 HydrophobicContact CE3-CG 4.4Å; W748-K752 HydrophobicContact CH2-CG 4.36Å; W748-K752 HydrophobicContact CZ2-CG 3.96Å; W748-K752 WeakPolarHBondContact O-CB 3.35Å; W748-K752 WeakPolarHBondContact O-CG 3.46Å; W748-K752 PolarHBondContact O-N 3.36Å; W748-V767 HydrophobicContact CH2-CG2 3.75Å; W748-V767 HydrophobicContact CZ2-CG2 3.93Å; W748-I772 HydrophobicContact CH2-CG1 4.25Å; W748-K775 HydrophobicContact CD2-CG 4.33Å; W748-K775 HydrophobicContact CE3-CG 4.04Å; W748-K775 HydrophobicContact CH2-CB 4.03Å; W748-K775 HydrophobicContact CH2-CG 4.23Å; W748-K775 HydrophobicContact CZ3-CB 4.11Å; W748-K775 HydrophobicContact CZ3-CG 4Å |
| 749 | L | 88.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.8 | -52.9 | 178.1 | -179.5 | 71.3 | 0 | 0 | 0 | 110.8 | L703 L706 I710 A745 M746 S751 K752 M753 | L703-L749 HydrophobicContact CB-CD1 4.38Å; L703-L749 HydrophobicContact CD2-CD1 3.51Å; L706-L749 HydrophobicContact CD2-CD1 4.06Å; L706-L749 HydrophobicContact CG-CD1 4.34Å; I710-L749 HydrophobicContact CD1-CB 4.47Å; I710-L749 HydrophobicContact CD1-CD2 4.08Å; A745-L749 WeakPolarHBondContact O-CB 3.15Å; A745-L749 PolarHBondContact O-N 3.33Å; M746-L749 PolarHBondContact O-N 3.49Å; L749-S751 VanDerWaalsContact C-N 3.33Å; L749-S751 PolarHBondContact O-N 2.94Å; L749-K752 PolarHBondContact O-N 2.93Å; L749-M753 HydrophobicContact CD1-SD 4.24Å; L749-M753 HydrophobicContact CG-SD 4.06Å; L749-M753 WeakPolarHBondContact O-CB 3.38Å; L749-M753 WeakPolarHBondContact O-CG 3.32Å; L749-M753 PolarHBondContact O-N 3.24Å |
| 750 | N | 88.6 | Confident | 87.9 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 179.1 | -72.2 | -30.3 | 0 | 0 | 0 | 112 | M746 S747 N754 | M746-N750 WeakPolarHBondContact O-CB 3.5Å; M746-N750 VanDerWaalsContact O-CG 3.31Å; M746-N750 PolarHBondContact O-N 2.85Å; M746-N750 PolarHBondContact O-ND2 2.89Å; S747-N750 PolarHBondContact O-N 3.06Å; N750-N754 VanDerWaalsContact O-CB 3.29Å; N750-N754 WeakPolarHBondContact O-CB 3.5Å; N750-N754 PolarHBondContact O-N 3.48Å; N750-N754 PolarHBondContact O-ND2 2.88Å |
| 751 | S | 91.2 | Very high | 87.7 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -48.4 | 177 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | S747 W748 L749 N754 A755 | S747-S751 WeakPolarHBondContact O-CB 3.37Å; S747-S751 PolarHBondContact O-N 2.86Å; W748-S751 PolarHBondContact O-N 3.24Å; L749-S751 VanDerWaalsContact C-N 3.33Å; L749-S751 PolarHBondContact O-N 2.94Å; S751-N754 PolarHBondContact O-N 3.19Å; S751-A755 WeakPolarHBondContact O-CB 3.29Å; S751-A755 PolarHBondContact O-N 2.97Å |
| 752 | K | 89.3 | Confident | 87.4 | Confident | 47 Ų | 47 | 64 Ų | 64 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177.6 | -72.6 | -61.9 | -156.3 | 165 | 0 | 112.6 | W748 L749 A755 Q756 V766 V767 | W748-K752 HydrophobicContact CD2-CG 4.01Å; W748-K752 HydrophobicContact CE3-CG 4.4Å; W748-K752 HydrophobicContact CH2-CG 4.36Å; W748-K752 HydrophobicContact CZ2-CG 3.96Å; W748-K752 WeakPolarHBondContact O-CB 3.35Å; W748-K752 WeakPolarHBondContact O-CG 3.46Å; W748-K752 PolarHBondContact O-N 3.36Å; L749-K752 PolarHBondContact O-N 2.93Å; K752-A755 PolarHBondContact O-N 3.48Å; K752-Q756 VanDerWaalsContact O-CB 3.29Å; K752-Q756 WeakPolarHBondContact O-CB 3.19Å; K752-Q756 PolarHBondContact O-N 3.02Å; K752-V766 HydrophobicContact CD-CG1 4.06Å; K752-V766 PolarHBondContact NZ-O 3.25Å; K752-V767 HydrophobicContact CB-CB 4.41Å; K752-V767 HydrophobicContact CB-CG1 4.09Å; K752-V767 HydrophobicContact CD-CB 4Å; K752-V767 HydrophobicContact CG-CB 4.3Å |
| 753 | M | 87 | Confident | 87.1 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 173.3 | -74.1 | 179.2 | 67.9 | 0 | 0 | 111.8 | L703 L749 A755 Q756 N757 | L703-M753 HydrophobicContact CD1-CG 3.99Å; L703-M753 HydrophobicContact CD2-CG 4.08Å; L749-M753 HydrophobicContact CD1-SD 4.24Å; L749-M753 HydrophobicContact CG-SD 4.06Å; L749-M753 WeakPolarHBondContact O-CB 3.38Å; L749-M753 WeakPolarHBondContact O-CG 3.32Å; L749-M753 PolarHBondContact O-N 3.24Å; M753-A755 VanDerWaalsContact C-N 3.26Å; M753-A755 PolarHBondContact O-N 2.97Å; M753-Q756 PolarHBondContact O-N 2.8Å; M753-N757 WeakPolarHBondContact O-CB 3.48Å; M753-N757 PolarHBondContact O-N 3.22Å; M753-N757 PolarHBondContact O-OD1 3.16Å |
| 754 | N | 86.8 | Confident | 86.8 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.5 | -24 | 179.9 | -77.4 | -54.3 | 0 | 0 | 0 | 113.9 | N750 S751 K758 | N750-N754 VanDerWaalsContact O-CB 3.29Å; N750-N754 WeakPolarHBondContact O-CB 3.5Å; N750-N754 PolarHBondContact O-N 3.48Å; N750-N754 PolarHBondContact O-ND2 2.88Å; S751-N754 PolarHBondContact O-N 3.19Å; N754-K758 WeakPolarHBondContact O-CD 3.4Å; N754-K758 VanDerWaalsContact O-CE 3.3Å; N754-K758 WeakPolarHBondContact O-CE 3.33Å; N754-K758 WeakPolarHBondContact O-CG 3.29Å |
| 755 | A | 86.3 | Confident | 86.5 | Confident | 34 Ų | 34 | 67 Ų | 67 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -79 | -43.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S751 K752 M753 N757 K758 V766 | S751-A755 WeakPolarHBondContact O-CB 3.29Å; S751-A755 PolarHBondContact O-N 2.97Å; K752-A755 PolarHBondContact O-N 3.48Å; M753-A755 VanDerWaalsContact C-N 3.26Å; M753-A755 PolarHBondContact O-N 2.97Å; A755-N757 VanDerWaalsContact C-N 3.33Å; A755-N757 PolarHBondContact O-N 3.39Å; A755-K758 PolarHBondContact O-N 3.33Å; A755-V766 HydrophobicContact CB-CB 4.35Å; A755-V766 HydrophobicContact CB-CG1 3.81Å; A755-V766 HydrophobicContact CB-CG2 4.11Å |
| 756 | Q | 85.9 | Confident | 86.4 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 179.1 | -175.9 | 57.4 | 68.9 | 0 | 0 | 112.7 | K752 M753 K758 L759 P765 | K752-Q756 VanDerWaalsContact O-CB 3.29Å; K752-Q756 WeakPolarHBondContact O-CB 3.19Å; K752-Q756 PolarHBondContact O-N 3.02Å; M753-Q756 PolarHBondContact O-N 2.8Å; Q756-K758 PolarHBondContact O-N 3.28Å; Q756-K758 VanDerWaalsContact O-N 3.09Å; Q756-L759 PolarHBondContact O-N 2.76Å; Q756-P765 VanDerWaalsContact OE1-CA 3.22Å |
| 757 | N | 84.8 | Confident | 86.2 | Confident | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -2.3 | 177.4 | -68.2 | -6.2 | 0 | 0 | 0 | 114 | M753 A755 | M753-N757 WeakPolarHBondContact O-CB 3.48Å; M753-N757 PolarHBondContact O-N 3.22Å; M753-N757 PolarHBondContact O-OD1 3.16Å; A755-N757 VanDerWaalsContact C-N 3.33Å; A755-N757 PolarHBondContact O-N 3.39Å |
| 758 | K | 85.6 | Confident | 86.2 | Confident | 173 Ų | 173 | 67 Ų | 67 | 75% | 0.752 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -7.4 | 177.9 | -65.2 | 174.1 | -176.5 | 179.3 | 0 | 113.8 | N754 A755 Q756 | N754-K758 WeakPolarHBondContact O-CD 3.4Å; N754-K758 VanDerWaalsContact O-CE 3.3Å; N754-K758 WeakPolarHBondContact O-CE 3.33Å; N754-K758 WeakPolarHBondContact O-CG 3.29Å; A755-K758 PolarHBondContact O-N 3.33Å; Q756-K758 PolarHBondContact O-N 3.28Å; Q756-K758 VanDerWaalsContact O-N 3.09Å |
| 759 | L | 85.2 | Confident | 86 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -90 | 153.6 | 176.6 | -61.5 | -168.8 | 0 | 0 | 0 | 111.3 | Q756 Q763 D764 V766 | Q756-L759 PolarHBondContact O-N 2.76Å; L759-Q763 HydrophobicContact CB-CB 4.35Å; L759-Q763 HydrophobicContact CD1-CB 4.42Å; L759-D764 WeakPolarHBondContact CD1-O 3.45Å; L759-V766 HydrophobicContact CD1-CG2 3.44Å; L759-V766 VanDerWaalsContact CD1-CG2 3.44Å; L759-V766 HydrophobicContact CG-CG2 3.88Å |
| 760 | S | 82.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | trans | -74.7 | 155.6 | 165.6 | 60.7 | 0 | 0 | 0 | 0 | 111 | T762 Q763 | S760-T762 PolarHBondContact O-N 3Å; S760-T762 VanDerWaalsContact O-N 3.14Å; S760-T762 PolarHBondContact OG-OG1 2.95Å; S760-Q763 VanDerWaalsContact N-OE1 3.08Å; S760-Q763 PolarHBondContact O-N 3.05Å; S760-Q763 VanDerWaalsContact OG-CD 3.3Å; S760-Q763 VanDerWaalsContact OG-CG 3.31Å; S760-Q763 WeakPolarHBondContact OG-CG 3.48Å; S760-Q763 PolarHBondContact OG-OE1 3.07Å | ||
| 761 | L | 83.3 | Confident | 86.1 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.4 | 174.2 | -63.4 | -179.2 | 0 | 0 | 0 | 113.2 | K642 F643 H696 | K642-L761 HydrophobicContact CB-CD1 4.09Å; K642-L761 WeakPolarHBondContact O-CB 3.46Å; F643-L761 HydrophobicContact CD1-CB 3.97Å; F643-L761 WeakPolarHBondContact CD1-O 3.32Å; F643-L761 HydrophobicContact CE1-CB 3.99Å; F643-L761 HydrophobicContact CE1-CD1 4.34Å; F643-L761 HydrophobicContact CE1-CD2 4.08Å; F643-L761 HydrophobicContact CE1-CG 4.36Å; F643-L761 HydrophobicContact CZ-CD1 4.4Å; H696-L761 WeakPolarHBondContact CD2-CD2 3.36Å |
| 762 | T | 81.8 | Confident | 86 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.5 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | I644 K692 S760 | I644-T762 WeakPolarHBondContact O-CG2 3.49Å; K692-T762 PolarHBondContact NZ-O 3.02Å; S760-T762 PolarHBondContact O-N 3Å; S760-T762 VanDerWaalsContact O-N 3.14Å; S760-T762 PolarHBondContact OG-OG1 2.95Å |
| 763 | Q | 82.8 | Confident | 86 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -94.5 | 156.2 | -178.9 | -74.9 | 167.4 | -19.5 | 0 | 0 | 112.1 | L759 S760 | L759-Q763 HydrophobicContact CB-CB 4.35Å; L759-Q763 HydrophobicContact CD1-CB 4.42Å; S760-Q763 VanDerWaalsContact N-OE1 3.08Å; S760-Q763 PolarHBondContact O-N 3.05Å; S760-Q763 VanDerWaalsContact OG-CD 3.3Å; S760-Q763 VanDerWaalsContact OG-CG 3.31Å; S760-Q763 WeakPolarHBondContact OG-CG 3.48Å; S760-Q763 PolarHBondContact OG-OE1 3.07Å |
| 764 | D | 83.1 | Confident | 86.1 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 139.9 | 174.9 | -72.2 | 9 | 0 | 0 | 0 | 110.5 | K692 L759 | K692-D764 WeakPolarHBondContact CE-OD1 3.47Å; K692-D764 IonicContact NZ-OD1 2.75Å; K692-D764 PolarHBondContact NZ-OD1 2.95Å; L759-D764 WeakPolarHBondContact CD1-O 3.45Å |
| 765 | P | 83.5 | Confident | 86.2 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 150 | -170.7 | 29.1 | -35.9 | 0 | 0 | 0 | 114.3 | E695 R699 Q756 V767 K768 | E695-P765 HydrophobicContact CB-CG 4.46Å; R699-P765 VanDerWaalsContact NH2-CB 3.25Å; Q756-P765 VanDerWaalsContact OE1-CA 3.22Å; P765-V767 PolarHBondContact O-N 2.85Å; P765-K768 HydrophobicContact CG-CG 4.37Å |
| 766 | V | 85.6 | Confident | 86.3 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -69.3 | -20.8 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | K752 A755 L759 | K752-V766 HydrophobicContact CD-CG1 4.06Å; K752-V766 PolarHBondContact NZ-O 3.25Å; A755-V766 HydrophobicContact CB-CB 4.35Å; A755-V766 HydrophobicContact CB-CG1 3.81Å; A755-V766 HydrophobicContact CB-CG2 4.11Å; L759-V766 HydrophobicContact CD1-CG2 3.44Å; L759-V766 VanDerWaalsContact CD1-CG2 3.44Å; L759-V766 HydrophobicContact CG-CG2 3.88Å |
| 767 | V | 86.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -150.2 | 135 | 175.9 | 65 | 0 | 0 | 0 | 0 | 109.1 | R699 W748 K752 P765 E771 I772 | R699-V767 PolarHBondContact NE-O 3.46Å; W748-V767 HydrophobicContact CH2-CG2 3.75Å; W748-V767 HydrophobicContact CZ2-CG2 3.93Å; K752-V767 HydrophobicContact CB-CB 4.41Å; K752-V767 HydrophobicContact CB-CG1 4.09Å; K752-V767 HydrophobicContact CD-CB 4Å; K752-V767 HydrophobicContact CG-CB 4.3Å; P765-V767 PolarHBondContact O-N 2.85Å; V767-E771 HydrophobicContact CG2-CB 3.8Å; V767-E771 WeakPolarHBondContact CG2-OE2 3.23Å; V767-I772 HydrophobicContact CG1-CD1 4.06Å; V767-I772 HydrophobicContact CG1-CG1 4.29Å; V767-I772 HydrophobicContact CG2-CD1 4.31Å; V767-I772 HydrophobicContact CG2-CG1 3.75Å |
| 768 | K | 89.7 | Confident | 86.8 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 41% | 0.409 | 34% | 0.34 | S | S | . | . | trans | -89.6 | 155.3 | 177.2 | -68.5 | 177.8 | -179.3 | 177.4 | 0 | 111.8 | E695 P765 S770 E771 I772 | E695-K768 WeakPolarHBondContact OE1-CB 3.34Å; E695-K768 VanDerWaalsContact OE2-CA 3.28Å; E695-K768 WeakPolarHBondContact OE2-CA 3.48Å; P765-K768 HydrophobicContact CG-CG 4.37Å; K768-S770 PolarHBondContact O-N 2.83Å; K768-E771 HydrophobicContact CB-CG 4.32Å; K768-E771 WeakPolarHBondContact O-CB 3.25Å; K768-E771 PolarHBondContact O-N 2.92Å; K768-I772 PolarHBondContact O-N 3.49Å; K768-I772 VanDerWaalsContact O-N 3.13Å | ||
| 769 | V | 88.9 | Confident | 86.9 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.2 | -39.6 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | E695 E698 R699 A702 E771 I772 V773 | E695-V769 PolarHBondContact OE1-N 2.95Å; E695-V769 VanDerWaalsContact OE1-N 3.12Å; E695-V769 WeakPolarHBondContact OE2-CG2 3.33Å; E695-V769 PolarHBondContact OE2-N 2.84Å; E698-V769 HydrophobicContact CB-CG2 3.85Å; R699-V769 HydrophobicContact CB-CG2 4Å; A702-V769 HydrophobicContact CB-CG1 4.33Å; V769-E771 VanDerWaalsContact C-N 3.34Å; V769-E771 PolarHBondContact O-N 3.02Å; V769-I772 PolarHBondContact O-N 2.79Å; V769-V773 HydrophobicContact CG1-CG2 4.32Å; V769-V773 WeakPolarHBondContact O-CG2 3.31Å; V769-V773 PolarHBondContact O-N 2.97Å |
| 770 | S | 89.4 | Confident | 87 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.9 | -37.7 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | K768 G774 | K768-S770 PolarHBondContact O-N 2.83Å; S770-G774 PolarHBondContact O-N 2.86Å |
| 771 | E | 88.8 | Confident | 87.4 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 176.7 | -66.4 | 165.9 | -146.6 | 0 | 0 | 111.4 | V767 K768 V769 G774 K775 | V767-E771 HydrophobicContact CG2-CB 3.8Å; V767-E771 WeakPolarHBondContact CG2-OE2 3.23Å; K768-E771 HydrophobicContact CB-CG 4.32Å; K768-E771 WeakPolarHBondContact O-CB 3.25Å; K768-E771 PolarHBondContact O-N 2.92Å; V769-E771 VanDerWaalsContact C-N 3.34Å; V769-E771 PolarHBondContact O-N 3.02Å; E771-G774 PolarHBondContact O-N 2.85Å; E771-K775 WeakPolarHBondContact O-CB 3.29Å; E771-K775 PolarHBondContact O-N 2.84Å |
| 772 | I | 88.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.3 | -62.1 | 156.2 | 0 | 0 | 0 | 110.7 | R699 A702 L703 L706 W748 V767 K768 V769 G774 K775 S776 | R699-I772 HydrophobicContact CG-CD1 3.47Å; R699-I772 VanDerWaalsContact CG-CD1 3.47Å; A702-I772 HydrophobicContact CB-CB 4.26Å; A702-I772 HydrophobicContact CB-CD1 4.32Å; A702-I772 HydrophobicContact CB-CG2 3.86Å; A702-I772 WeakPolarHBondContact O-CG2 3.06Å; L703-I772 HydrophobicContact CD2-CD1 3.72Å; L703-I772 HydrophobicContact CD2-CG1 4.05Å; L703-I772 HydrophobicContact CG-CD1 3.79Å; L706-I772 HydrophobicContact CB-CG2 4.14Å; L706-I772 HydrophobicContact CD2-CG2 3.9Å; W748-I772 HydrophobicContact CH2-CG1 4.25Å; V767-I772 HydrophobicContact CG1-CD1 4.06Å; V767-I772 HydrophobicContact CG1-CG1 4.29Å; V767-I772 HydrophobicContact CG2-CD1 4.31Å; V767-I772 HydrophobicContact CG2-CG1 3.75Å; K768-I772 PolarHBondContact O-N 3.49Å; K768-I772 VanDerWaalsContact O-N 3.13Å; V769-I772 PolarHBondContact O-N 2.79Å; I772-G774 VanDerWaalsContact C-N 3.32Å; I772-G774 PolarHBondContact O-N 2.88Å; I772-K775 PolarHBondContact O-N 2.83Å; I772-S776 WeakPolarHBondContact O-CB 3.36Å; I772-S776 PolarHBondContact O-N 2.87Å |
| 773 | V | 89.4 | Confident | 87.8 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V769 S776 K777 | V769-V773 HydrophobicContact CG1-CG2 4.32Å; V769-V773 WeakPolarHBondContact O-CG2 3.31Å; V769-V773 PolarHBondContact O-N 2.97Å; V773-S776 WeakPolarHBondContact O-CB 3.49Å; V773-S776 PolarHBondContact O-N 2.83Å; V773-K777 WeakPolarHBondContact O-CG 3.44Å; V773-K777 PolarHBondContact O-N 2.74Å; V773-K777 VanDerWaalsContact O-N 3.08Å |
| 774 | G | 90.3 | Very high | 87.9 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -53.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S770 E771 I772 S776 K777 E778 | S770-G774 PolarHBondContact O-N 2.86Å; E771-G774 PolarHBondContact O-N 2.85Å; I772-G774 VanDerWaalsContact C-N 3.32Å; I772-G774 PolarHBondContact O-N 2.88Å; G774-S776 VanDerWaalsContact C-N 3.26Å; G774-S776 PolarHBondContact O-N 2.99Å; G774-K777 PolarHBondContact O-N 2.78Å; G774-E778 PolarHBondContact O-N 3.39Å |
| 775 | K | 88.3 | Confident | 88 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -34.1 | 178.3 | -160.1 | 72.7 | -150.5 | 158.3 | 0 | 112.8 | L706 Y741 W748 E771 I772 E778 L779 | L706-K775 HydrophobicContact CD2-CB 4.41Å; Y741-K775 PolarHBondContact OH-NZ 2.83Å; W748-K775 HydrophobicContact CD2-CG 4.33Å; W748-K775 HydrophobicContact CE3-CG 4.04Å; W748-K775 HydrophobicContact CH2-CB 4.03Å; W748-K775 HydrophobicContact CH2-CG 4.23Å; W748-K775 HydrophobicContact CZ3-CB 4.11Å; W748-K775 HydrophobicContact CZ3-CG 4Å; E771-K775 WeakPolarHBondContact O-CB 3.29Å; E771-K775 PolarHBondContact O-N 2.84Å; I772-K775 PolarHBondContact O-N 2.83Å; K775-E778 WeakPolarHBondContact CD-OE2 3.45Å; K775-E778 WeakPolarHBondContact CE-OE2 3.24Å; K775-E778 IonicContact NZ-OE2 2.79Å; K775-E778 PolarHBondContact NZ-OE2 2.7Å; K775-E778 PolarHBondContact O-N 2.67Å; K775-L779 WeakPolarHBondContact O-CB 3.39Å; K775-L779 PolarHBondContact O-N 3.41Å |
| 776 | S | 88.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 172.7 | -162.5 | 0 | 0 | 0 | 0 | 112.3 | K709 I772 V773 G774 L779 D780 | K709-S776 WeakPolarHBondContact CD-OG 3.5Å; K709-S776 PolarHBondContact NZ-OG 2.62Å; I772-S776 WeakPolarHBondContact O-CB 3.36Å; I772-S776 PolarHBondContact O-N 2.87Å; V773-S776 WeakPolarHBondContact O-CB 3.49Å; V773-S776 PolarHBondContact O-N 2.83Å; G774-S776 VanDerWaalsContact C-N 3.26Å; G774-S776 PolarHBondContact O-N 2.99Å; S776-L779 PolarHBondContact O-N 3.35Å; S776-D780 VanDerWaalsContact O-CG 3.28Å; S776-D780 PolarHBondContact O-N 2.66Å |
| 777 | K | 90.2 | Very high | 87.8 | Confident | 127 Ų | 127 | 51.3 Ų | 51.3 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 176 | -70.1 | 174.3 | -179.6 | -179.1 | 0 | 112.7 | V773 G774 L779 D780 N781 | V773-K777 WeakPolarHBondContact O-CG 3.44Å; V773-K777 PolarHBondContact O-N 2.74Å; V773-K777 VanDerWaalsContact O-N 3.08Å; G774-K777 PolarHBondContact O-N 2.78Å; K777-L779 VanDerWaalsContact C-N 3.35Å; K777-D780 PolarHBondContact O-N 3.28Å; K777-N781 VanDerWaalsContact O-CB 3.24Å; K777-N781 WeakPolarHBondContact O-CB 3.42Å; K777-N781 PolarHBondContact O-N 3.12Å; K777-N781 PolarHBondContact O-ND2 2.83Å |
| 778 | E | 90.6 | Very high | 87.5 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.5 | -71.4 | 175.6 | -166.4 | 0 | 0 | 111.5 | G774 K775 N781 F782 | G774-E778 PolarHBondContact O-N 3.39Å; K775-E778 WeakPolarHBondContact CD-OE2 3.45Å; K775-E778 WeakPolarHBondContact CE-OE2 3.24Å; K775-E778 IonicContact NZ-OE2 2.79Å; K775-E778 PolarHBondContact NZ-OE2 2.7Å; K775-E778 PolarHBondContact O-N 2.67Å; E778-N781 PolarHBondContact O-N 3.27Å; E778-F782 WeakPolarHBondContact O-CB 3.42Å; E778-F782 PolarHBondContact O-N 2.91Å |
| 779 | L | 88.7 | Confident | 87 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 176.2 | -175.8 | 155.7 | 0 | 0 | 0 | 111.5 | L706 K709 I710 V713 I742 A745 K775 S776 K777 F782 C783 | L706-L779 HydrophobicContact CD1-CD1 4.16Å; K709-L779 HydrophobicContact CB-CD2 4.39Å; I710-L779 HydrophobicContact CD1-CD1 4.32Å; I710-L779 HydrophobicContact CG1-CD1 3.55Å; V713-L779 HydrophobicContact CG2-CD2 4.36Å; I742-L779 HydrophobicContact CD1-CD1 3.71Å; I742-L779 HydrophobicContact CD1-CD2 4.13Å; I742-L779 HydrophobicContact CD1-CG 3.85Å; A745-L779 HydrophobicContact CB-CD1 4.03Å; K775-L779 WeakPolarHBondContact O-CB 3.39Å; K775-L779 PolarHBondContact O-N 3.41Å; S776-L779 PolarHBondContact O-N 3.35Å; K777-L779 VanDerWaalsContact C-N 3.35Å; L779-F782 PolarHBondContact O-N 2.8Å; L779-C783 VanDerWaalsContact O-CB 3.24Å; L779-C783 WeakPolarHBondContact O-CB 3.47Å; L779-C783 PolarHBondContact O-N 2.73Å; L779-C783 PolarHBondContact O-SG 2.74Å |
| 780 | D | 87.3 | Confident | 86.2 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -50.8 | 174.4 | -69.6 | -31.6 | 0 | 0 | 0 | 111.3 | K709 S776 K777 F782 N784 | K709-D780 VanDerWaalsContact NZ-CG 3.27Å; K709-D780 IonicContact NZ-OD1 2.94Å; K709-D780 PolarHBondContact NZ-OD1 3.45Å; K709-D780 IonicContact NZ-OD2 3.27Å; K709-D780 PolarHBondContact NZ-OD2 3.02Å; S776-D780 VanDerWaalsContact O-CG 3.28Å; S776-D780 PolarHBondContact O-N 2.66Å; K777-D780 PolarHBondContact O-N 3.28Å; D780-F782 VanDerWaalsContact C-N 3.31Å; D780-F782 PolarHBondContact O-N 2.85Å; D780-N784 WeakPolarHBondContact CA-ND2 3.43Å; D780-N784 WeakPolarHBondContact CB-ND2 3.41Å; D780-N784 WeakPolarHBondContact O-CB 3.39Å; D780-N784 PolarHBondContact O-N 2.85Å; D780-N784 PolarHBondContact O-ND2 2.87Å |
| 781 | N | 89.6 | Confident | 85.3 | Confident | 127 Ų | 127 | 63 Ų | 63 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.2 | -31.6 | -175.8 | -73 | -13.8 | 0 | 0 | 0 | 113.1 | K777 E778 P785 | K777-N781 VanDerWaalsContact O-CB 3.24Å; K777-N781 WeakPolarHBondContact O-CB 3.42Å; K777-N781 PolarHBondContact O-N 3.12Å; K777-N781 PolarHBondContact O-ND2 2.83Å; E778-N781 PolarHBondContact O-N 3.27Å; N781-P785 VanDerWaalsContact O-CD 3.27Å; N781-P785 WeakPolarHBondContact O-CD 3.27Å; N781-P785 VanDerWaalsContact O-CG 3.31Å; N781-P785 WeakPolarHBondContact O-CG 3.31Å |
| 782 | F | 87.8 | Confident | 83.8 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -83.5 | -44.1 | 177.8 | -172.1 | -98.1 | 0 | 0 | 0 | 112.4 | K737 V738 Y741 E778 L779 D780 | K737-F782 HydrophobicContact CB-CZ 4.27Å; V738-F782 HydrophobicContact CG2-CE1 4.49Å; Y741-F782 HydrophobicContact CD1-CB 4.46Å; Y741-F782 AromaticContact CD1-CD1 3.88Å; Y741-F782 HydrophobicContact CD1-CD1 3.88Å; Y741-F782 HydrophobicContact CD1-CG 4.35Å; Y741-F782 AromaticContact CD2-CD1 3.87Å; Y741-F782 HydrophobicContact CD2-CD1 3.87Å; Y741-F782 AromaticContact CD2-CE1 3.94Å; Y741-F782 HydrophobicContact CD2-CE1 3.94Å; Y741-F782 HydrophobicContact CD2-CG 4.18Å; Y741-F782 HydrophobicContact CD2-CZ 4.3Å; Y741-F782 HydrophobicContact CE1-CB 4.3Å; Y741-F782 HydrophobicContact CE1-CD1 4.48Å; Y741-F782 HydrophobicContact CE2-CD1 4.46Å; Y741-F782 HydrophobicContact CE2-CG 4.33Å; Y741-F782 AromaticContact CG-CD1 3.56Å; Y741-F782 HydrophobicContact CG-CD1 3.56Å; Y741-F782 AromaticContact CG-CE1 3.78Å; Y741-F782 HydrophobicContact CG-CE1 3.78Å; Y741-F782 HydrophobicContact CG-CG 4.2Å; E778-F782 WeakPolarHBondContact O-CB 3.42Å; E778-F782 PolarHBondContact O-N 2.91Å; L779-F782 PolarHBondContact O-N 2.8Å; D780-F782 VanDerWaalsContact C-N 3.31Å; D780-F782 PolarHBondContact O-N 2.85Å |
| 783 | C | 85 | Confident | 82.2 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -85.5 | -40.5 | -169.7 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | V713 V738 L779 I786 I787 | V713-C783 HydrophobicContact CG2-CB 4.42Å; V738-C783 HydrophobicContact CG1-CB 4.3Å; L779-C783 VanDerWaalsContact O-CB 3.24Å; L779-C783 WeakPolarHBondContact O-CB 3.47Å; L779-C783 PolarHBondContact O-N 2.73Å; L779-C783 PolarHBondContact O-SG 2.74Å; C783-I786 PolarHBondContact O-N 3.3Å; C783-I787 HydrophobicContact CB-CD1 3.75Å; C783-I787 WeakPolarHBondContact O-CB 3.31Å; C783-I787 WeakPolarHBondContact O-CG1 3.47Å; C783-I787 PolarHBondContact O-N 2.88Å |
| 784 | N | 86.9 | Confident | 80.1 | Confident | 53 Ų | 53 | 76.4 Ų | 76.4 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | -172.7 | -64.3 | -24.6 | 0 | 0 | 0 | 113.9 | D780 I786 I787 Y788 | D780-N784 WeakPolarHBondContact CA-ND2 3.43Å; D780-N784 WeakPolarHBondContact CB-ND2 3.41Å; D780-N784 WeakPolarHBondContact O-CB 3.39Å; D780-N784 PolarHBondContact O-N 2.85Å; D780-N784 PolarHBondContact O-ND2 2.87Å; N784-I786 PolarHBondContact O-N 2.92Å; N784-I787 PolarHBondContact O-N 3.26Å; N784-Y788 HydrophobicContact CB-CD2 3.88Å; N784-Y788 HydrophobicContact CB-CE2 4.12Å; N784-Y788 WeakPolarHBondContact O-CB 3.29Å; N784-Y788 WeakPolarHBondContact O-CD2 3.34Å; N784-Y788 PolarHBondContact O-N 2.8Å; N784-Y788 WeakPolarHBondContact OD1-CE2 3.12Å |
| 785 | P | 84.2 | Confident | 77.7 | Confident | 87 Ų | 87 | 83.6 Ų | 83.6 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.6 | -24.2 | 177.3 | -23.7 | 35.7 | 0 | 0 | 0 | 114.3 | N781 | N781-P785 VanDerWaalsContact O-CD 3.27Å; N781-P785 WeakPolarHBondContact O-CD 3.27Å; N781-P785 VanDerWaalsContact O-CG 3.31Å; N781-P785 WeakPolarHBondContact O-CG 3.31Å |
| 786 | I | 81.9 | Confident | 75.5 | Confident | 23 Ų | 23 | 87.5 Ų | 87.5 | 12% | 0.118 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -87.1 | -49.1 | 177.1 | -62 | 169.2 | 0 | 0 | 0 | 109.6 | L730 E734 M735 V738 C783 N784 Y788 K789 | L730-I786 VanDerWaalsContact CD2-O 3.27Å; L730-I786 WeakPolarHBondContact CD2-O 3.37Å; E734-I786 HydrophobicContact CB-CD1 4.33Å; E734-I786 HydrophobicContact CB-CG1 4.47Å; E734-I786 HydrophobicContact CB-CG2 3.73Å; M735-I786 HydrophobicContact SD-CG2 4.16Å; V738-I786 HydrophobicContact CG2-CB 3.88Å; V738-I786 HydrophobicContact CG2-CD1 3.55Å; V738-I786 HydrophobicContact CG2-CG1 4.3Å; V738-I786 HydrophobicContact CG2-CG2 3.73Å; C783-I786 PolarHBondContact O-N 3.3Å; N784-I786 PolarHBondContact O-N 2.92Å; I786-Y788 PolarHBondContact O-N 2.85Å; I786-K789 WeakPolarHBondContact O-CB 3.41Å; I786-K789 PolarHBondContact O-N 2.85Å |
| 787 | I | 82.6 | Confident | 73.2 | Confident | 4 Ų | 4 | 92.5 Ų | 92.5 | 2% | 0.021 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | -176.2 | -72.2 | 165.2 | 0 | 0 | 0 | 113 | V713 V716 Y727 V738 C783 N784 | V713-I787 HydrophobicContact CB-CD1 4.23Å; V713-I787 HydrophobicContact CG1-CD1 3.5Å; V713-I787 VanDerWaalsContact CG1-CD1 3.5Å; V713-I787 HydrophobicContact CG2-CD1 3.87Å; V716-I787 HydrophobicContact CG1-CG1 4.44Å; V716-I787 HydrophobicContact CG1-CG2 3.9Å; V716-I787 HydrophobicContact CG2-CG2 4.41Å; Y727-I787 HydrophobicContact CE1-CG2 4.46Å; V738-I787 HydrophobicContact CG1-CD1 4.17Å; V738-I787 HydrophobicContact CG1-CG1 4.44Å; C783-I787 HydrophobicContact CB-CD1 3.75Å; C783-I787 WeakPolarHBondContact O-CB 3.31Å; C783-I787 WeakPolarHBondContact O-CG1 3.47Å; C783-I787 PolarHBondContact O-N 2.88Å; N784-I787 PolarHBondContact O-N 3.26Å |
| 788 | Y | 81.4 | Confident | 70.5 | Confident | 142 Ų | 142 | 95.7 Ų | 95.7 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 18.2 | -179.5 | -57.1 | -70.1 | 0 | 0 | 0 | 112.7 | N784 I786 P790 | N784-Y788 HydrophobicContact CB-CD2 3.88Å; N784-Y788 HydrophobicContact CB-CE2 4.12Å; N784-Y788 WeakPolarHBondContact O-CB 3.29Å; N784-Y788 WeakPolarHBondContact O-CD2 3.34Å; N784-Y788 PolarHBondContact O-N 2.8Å; N784-Y788 WeakPolarHBondContact OD1-CE2 3.12Å; I786-Y788 PolarHBondContact O-N 2.85Å; Y788-P790 WeakPolarHBondContact O-CD 3.43Å |
| 789 | K | 79.4 | Confident | 67.8 | Low | 84 Ų | 84 | 97.5 Ų | 97.5 | 37% | 0.365 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 118 | 173.8 | -165.2 | 172 | -177.3 | 177 | 0 | 108.6 | H729 L730 E734 I786 | H729-K789 PolarHBondContact NE2-O 3.43Å; L730-K789 HydrophobicContact CD2-CB 3.81Å; E734-K789 IonicContact OE1-NZ 3.47Å; E734-K789 PolarHBondContact OE1-NZ 2.8Å; E734-K789 IonicContact OE2-NZ 3.85Å; E734-K789 PolarHBondContact OE2-NZ 3Å; I786-K789 WeakPolarHBondContact O-CB 3.41Å; I786-K789 PolarHBondContact O-N 2.85Å |
| 790 | P | 70.8 | Confident | 65.1 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -69 | 154.8 | -173.3 | 27.6 | -34.8 | 0 | 0 | 0 | 111.9 | Y788 | Y788-P790 WeakPolarHBondContact O-CD 3.43Š|
| 791 | K | 69.9 | Low | 62.4 | Low | 120 Ų | 120 | 109.6 Ų | 109.6 | 52% | 0.522 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 135.9 | 174.6 | -78.4 | -175 | 175.1 | -170 | 0 | 110.9 | E725 H729 K793 | E725-K791 WeakPolarHBondContact O-CE 3.38Å; E725-K791 PolarHBondContact O-NZ 3.17Å; H729-K791 HydrophobicContact CB-CG 4.13Å; H729-K791 VanDerWaalsContact ND1-CG 3.34Å; H729-K791 WeakPolarHBondContact ND1-CG 3.27Å; K791-K793 PolarHBondContact O-N 3.07Å |
| 792 | P | 58.3 | Low | 59.8 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 132.7 | 171.8 | -24.3 | 33.9 | 0 | 0 | 0 | 110.9 | ||
| 793 | K | 54.9 | Low | 57.2 | Low | 196 Ų | 196 | 114.1 Ų | 114.1 | 85% | 0.852 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 131.4 | 165.6 | -73.9 | -172.8 | 175.3 | -175.2 | 0 | 108.3 | K791 E795 | K791-K793 PolarHBondContact O-N 3.07Å; K793-E795 PolarHBondContact O-N 3.34Å |
| 794 | V | 45 | Very low | 54.9 | Low | 134 Ų | 134 | 121.3 Ų | 121.3 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | trans | -77.5 | 109.4 | 172 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 795 | E | 41.3 | Very low | 52.3 | Low | 178 Ų | 178 | 124 Ų | 124 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 128.5 | 170 | -67.4 | -174.6 | 160.3 | 0 | 0 | 109.6 | K793 | K793-E795 PolarHBondContact O-N 3.34Š|
| 796 | V | 42.1 | Very low | 49.8 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 127.7 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | E798 | V796-E798 PolarHBondContact O-N 2.78Š|
| 797 | P | 39.1 | Very low | 47.3 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 127.8 | -175.8 | 29.2 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 798 | E | 34.4 | Very low | 44.8 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 141.7 | 172.8 | -81.1 | -162.5 | 138 | 0 | 0 | 113.9 | V796 | V796-E798 PolarHBondContact O-N 2.78Š|
| 799 | D | 33.2 | Very low | 42.2 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 61.9 | 106.2 | 155.1 | -152.1 | 11.1 | 0 | 0 | 0 | 120.8 | A801 | D799-A801 PolarHBondContact OD1-N 2.89Š| ||
| 800 | K | 32.2 | Very low | 40.6 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | -150.8 | 119.7 | 114.2 | -110.3 | 161.8 | -168.6 | 168.2 | 0 | 112.3 | |||||
| 801 | A | 31.1 | Very low | 38.6 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 162.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | D799 | D799-A801 PolarHBondContact OD1-N 2.89Š| ||
| 802 | K | 34.8 | Very low | 36.6 | Very low | 206 Ų | 206 | 143.9 Ų | 143.9 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | 83.9 | 81.4 | 160.2 | -57.8 | -179.1 | 179.6 | 176.7 | 0 | 119.6 | ||||
| 803 | A | 33.4 | Very low | 35.1 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | S | Bend | -161.4 | 140.1 | 122.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||
| 804 | N | 35.4 | Very low | 34.1 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 58 | 123.6 | 167.1 | -63.9 | -1 | 0 | 0 | 0 | 121.3 | ||||
| 805 | S | 33.8 | Very low | 33 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 60.2 | 147 | 155.2 | 39.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 806 | E | 31.2 | Very low | 32.5 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | cis | -150.1 | -176.4 | -2.2 | -131.2 | 171.3 | -157.7 | 0 | 0 | 113.3 | ||||
| 807 | H | 29.4 | Very low | 31.7 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -62.7 | 142.2 | -163.2 | -139.7 | 58.1 | 0 | 0 | 0 | 119.4 | ||||
| 808 | N | 29.4 | Very low | 31.2 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | 44.2 | 139.9 | 141.9 | -68.4 | -20.8 | 0 | 0 | 0 | 123.7 | ||||
| 809 | G | 26.7 | Very low | 30.8 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -87.6 | -138.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 810 | P | 46.5 | Very low | 30.7 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | cis | -139.9 | -165.6 | 13.3 | 45.1 | -26.5 | 0 | 0 | 0 | 116.1 | ||||
| 811 | M | 29 | Very low | 30.3 | Very low | 159 Ų | 159 | 136 Ų | 136 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 82.1 | 125 | 154.1 | -84.3 | 175.4 | 133.9 | 0 | 0 | 122.5 | ||||
| 812 | D | 28.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 53 | 111.4 | 137.8 | -55.1 | -13.5 | 0 | 0 | 0 | 121.4 | ||||
| 813 | G | 26.8 | Very low | 30.1 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -170.6 | 57.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 814 | Q | 32.3 | Very low | 29.8 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | 50.8 | 84.5 | 160.5 | -63.7 | -179.8 | -15.4 | 0 | 0 | 118.5 | ||||
| 815 | S | 23.6 | Very low | 29.4 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -112.3 | 148.3 | 142.4 | 58 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 816 | G | 29.3 | Very low | 29.2 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 110.3 | 87.2 | 1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 817 | N | 26.4 | Very low | 28.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -161.6 | 148.8 | 141.3 | -129.4 | 21.8 | 0 | 0 | 0 | 115.3 | ||||
| 818 | E | 28.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | 46.9 | 88.7 | 144.1 | -72.2 | 164 | -167.5 | 0 | 0 | 120.1 | ||||
| 819 | T | 26.7 | Very low | 28.7 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -49.4 | 129.8 | 153.6 | 43.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 820 | K | 29.8 | Very low | 28.7 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -121.7 | 108.2 | 157.2 | -97.9 | -171.5 | 177 | 178.3 | 0 | 110.7 | ||||
| 821 | S | 24.3 | Very low | 27.9 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -159.2 | 109 | 152.9 | 56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 822 | D | 32.1 | Very low | 27.7 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 144.4 | 149.8 | 178.4 | 21.7 | 0 | 0 | 0 | 107.9 | ||||
| 823 | S | 29 | Very low | 27.6 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -149.5 | 102.8 | 180 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 824 | T | 27.2 | Very low | 27.6 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -94.7 | 159.2 | 165.8 | 46.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 825 | K | 28.1 | Very low | 27.3 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 69.3 | 153 | 162.4 | -77.2 | -179.9 | 176.8 | -178.1 | 0 | 116.9 | ||||
| 826 | D | 28.5 | Very low | 27.5 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | -159.4 | 176.2 | -19.2 | -143.5 | -44.2 | 0 | 0 | 0 | 108.2 | ||||
| 827 | S | 25.6 | Very low | 27.4 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 66.5 | 170.2 | 165.1 | 78.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 828 | S | 26.7 | Very low | 27.5 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | -163.3 | 154.4 | -62.5 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 829 | Q | 27.7 | Very low | 27.6 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 71.8 | 125.2 | 159.1 | -67.8 | -177.5 | -4.3 | 0 | 0 | 122.8 | ||||
| 830 | H | 27.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | trans | 47.9 | 128.9 | 144.5 | -68.3 | -62.8 | 0 | 0 | 0 | 123.5 | ||||
| 831 | I | 28.6 | Very low | 28 | Very low | 167 Ų | 167 | 143 Ų | 143 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | -164.4 | 165.6 | 104.2 | -98.6 | 161.7 | 0 | 0 | 0 | 111.8 | |||||
| 832 | K | 25.3 | Very low | 28.2 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -67.1 | 157.6 | -169.9 | -48.6 | 167.5 | 178.9 | 177.2 | 0 | 115.4 | ||||
| 833 | S | 26.3 | Very low | 28 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 172.1 | 138.7 | 105.7 | 56.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 834 | S | 26 | Very low | 27.9 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | 23.8 | 146 | 146.7 | 55.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 835 | G | 26.4 | Very low | 28 | Very low | 62 Ų | 62 | 148.8 Ų | 148.8 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | cis | -161.8 | 165.2 | 6.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 836 | E | 28.4 | Very low | 28 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | 63.2 | 128.7 | 96.4 | -74.3 | 175.5 | -170.3 | 0 | 0 | 113.9 | |||||
| 837 | M | 26.6 | Very low | 27.9 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | cis | -142.1 | -174.4 | 17.2 | -92 | 156.5 | -83.6 | 0 | 0 | 109.1 | ||||
| 838 | E | 28.5 | Very low | 28.1 | Very low | 159 Ų | 159 | 150 Ų | 150 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | cis | 171.1 | 157.6 | -34.4 | -168.9 | 176.9 | -136.4 | 0 | 0 | 106.4 | ||||
| 839 | V | 31.4 | Very low | 28.2 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 76% | 0.758 | 83% | 0.826 | S | S | * | * | trans | 55.9 | 144.6 | 176 | -94.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 840 | D | 36.4 | Very low | 28.3 | Very low | 230 Ų | 230 | 152.8 Ų | 152.8 | 100% | 1.23 | 83% | 0.829 | S | S | * | * | cis | -118.5 | 0 | -5.2 | -98.3 | -58.8 | 0 | 0 | 0 | 110 |
Retrieved 840 of 840 residues in 374.5 ms
(Link to these results)