| 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 | 61.7 | Low | 75.7 | Confident | 135 Ų | 135 | 70.5 Ų | 70.5 | 67% | 0.665 | 32% | 0.318 | S | S | * | . | 0 | -36.1 | 0 | -71.1 | -166.5 | -158.1 | 0 | 0 | 110.7 | E3 R4 S5 F32 | M1-E3 PolarHBondContact O-N 3.43Å; M1-R4 WeakPolarHBondContact O-CA 3.33Å; M1-R4 WeakPolarHBondContact O-CB 3.31Å; M1-R4 PolarHBondContact O-N 3.35Å; M1-S5 PolarHBondContact O-N 3.44Å; M1-S5 PolarHBondContact O-OG 3.45Å; M1-F32 HydrophobicContact CB-CD1 4.47Å; M1-F32 HydrophobicContact CB-CE1 4.44Å; M1-F32 HydrophobicContact SD-CD1 4.29Å | |||
| 2 | E | 63.7 | Low | 77.1 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -43 | -57.3 | 176.5 | -149.2 | -177.8 | 160.9 | 0 | 0 | 116.5 | R4 S5 R6 E72 | E2-R4 PolarHBondContact O-N 2.75Å; E2-S5 PolarHBondContact O-N 3.36Å; E2-S5 PolarHBondContact O-OG 3.15Å; E2-R6 WeakPolarHBondContact O-CG 3.41Å; E2-R6 PolarHBondContact O-N 3.04Å; E2-R6 IonicContact OE1-CZ 3.67Å; E2-R6 IonicContact OE1-NE 3.31Å; E2-R6 IonicContact OE1-NH2 2.82Å; E2-R6 PolarHBondContact OE1-NH2 2.71Å; E2-E72 WeakPolarHBondContact CG-O 3.31Å |
| 3 | E | 67.3 | Low | 78.2 | Confident | 164 Ų | 164 | 59.7 Ų | 59.7 | 77% | 0.766 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.4 | -30.4 | 179.2 | -70 | -176.8 | 165.8 | 0 | 0 | 112.7 | M1 L7 | M1-E3 PolarHBondContact O-N 3.43Å; E3-L7 WeakPolarHBondContact O-CD1 2.95Å; E3-L7 VanDerWaalsContact O-CG 3.24Å; E3-L7 WeakPolarHBondContact O-CG 3.44Å |
| 4 | R | 75.6 | Confident | 79.1 | Confident | 148 Ų | 148 | 55.4 Ų | 55.4 | 56% | 0.558 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -75.2 | -37.9 | -179 | -62.4 | 177.9 | -179.1 | 178.9 | -0.1 | 111.3 | M1 E2 L7 C8 F30 F32 | M1-R4 WeakPolarHBondContact O-CA 3.33Å; M1-R4 WeakPolarHBondContact O-CB 3.31Å; M1-R4 PolarHBondContact O-N 3.35Å; E2-R4 PolarHBondContact O-N 2.75Å; R4-L7 PolarHBondContact O-N 3.13Å; R4-C8 PolarHBondContact O-N 3.19Å; R4-C8 PolarHBondContact O-SG 3.42Å; R4-F30 HydrophobicContact CB-CD1 4.29Å; R4-F30 HydrophobicContact CB-CD2 4.17Å; R4-F30 HydrophobicContact CB-CE1 4.49Å; R4-F30 HydrophobicContact CB-CE2 4.37Å; R4-F30 HydrophobicContact CB-CG 4.11Å; R4-F30 HydrophobicContact CG-CD1 4.18Å; R4-F30 HydrophobicContact CG-CE1 4.1Å; R4-F30 HydrophobicContact CG-CZ 4.36Å; R4-F32 HydrophobicContact CB-CE1 4.45Å; R4-F32 HydrophobicContact CB-CZ 4.29Å |
| 5 | S | 69.1 | Low | 79.7 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -38.1 | 178.8 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | M1 E2 L7 C8 T71 | M1-S5 PolarHBondContact O-N 3.44Å; M1-S5 PolarHBondContact O-OG 3.45Å; E2-S5 PolarHBondContact O-N 3.36Å; E2-S5 PolarHBondContact O-OG 3.15Å; S5-L7 PolarHBondContact O-N 3.41Å; S5-C8 WeakPolarHBondContact O-CB 3.31Å; S5-C8 PolarHBondContact O-N 3.38Å; S5-C8 VanDerWaalsContact O-N 3.11Å; S5-T71 WeakPolarHBondContact CB-O 3.48Å; S5-T71 PolarHBondContact OG-O 3.3Å |
| 6 | R | 72.6 | Confident | 80.1 | Confident | 145 Ų | 145 | 53.2 Ų | 53.2 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -21 | 175.9 | -64.6 | 179 | -171.9 | -159.4 | 4.3 | 114.4 | E2 | E2-R6 WeakPolarHBondContact O-CG 3.41Å; E2-R6 PolarHBondContact O-N 3.04Å; E2-R6 IonicContact OE1-CZ 3.67Å; E2-R6 IonicContact OE1-NE 3.31Å; E2-R6 IonicContact OE1-NH2 2.82Å; E2-R6 PolarHBondContact OE1-NH2 2.71Å |
| 7 | L | 75.1 | Confident | 80.3 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.7 | 176.7 | -68.4 | 168.5 | 0 | 0 | 0 | 113.2 | E3 R4 S5 S23 | E3-L7 WeakPolarHBondContact O-CD1 2.95Å; E3-L7 VanDerWaalsContact O-CG 3.24Å; E3-L7 WeakPolarHBondContact O-CG 3.44Å; R4-L7 PolarHBondContact O-N 3.13Å; S5-L7 PolarHBondContact O-N 3.41Å; L7-S23 WeakPolarHBondContact O-CA 3.24Å; L7-S23 WeakPolarHBondContact O-CB 3.26Å; L7-S23 PolarHBondContact O-OG 3.08Å |
| 8 | C | 81.5 | Confident | 80.8 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.095 | 23% | 0.226 | C | C | . | . | trans | -81.5 | 129.7 | -178.1 | -68 | 0 | 0 | 0 | 0 | 110.4 | R4 S5 W11 G21 | R4-C8 PolarHBondContact O-N 3.19Å; R4-C8 PolarHBondContact O-SG 3.42Å; S5-C8 WeakPolarHBondContact O-CB 3.31Å; S5-C8 PolarHBondContact O-N 3.38Å; S5-C8 VanDerWaalsContact O-N 3.11Å; C8-W11 HydrophobicContact CB-CH2 4.03Å; C8-W11 HydrophobicContact CB-CZ2 3.6Å; C8-G21 VanDerWaalsContact SG-CA 3.57Å | ||
| 9 | S | 84.4 | Confident | 81.3 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -108.5 | -19.1 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | V22 L24 A316 L320 | S9-V22 PolarHBondContact N-O 3.43Å; S9-L24 WeakPolarHBondContact OG-CG 3.49Å; S9-L24 PolarHBondContact OG-N 3.48Å; S9-A316 WeakPolarHBondContact O-CB 3.13Å; S9-A316 PolarHBondContact O-N 2.78Å; S9-L320 WeakPolarHBondContact OG-CD2 3.37Å | ||
| 10 | V | 89.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.3 | 177.6 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | L12 G21 V22 L24 L290 L313 L315 | V10-L12 HydrophobicContact CG1-CD2 4.22Å; V10-L12 HydrophobicContact CG1-CG 4.19Å; V10-G21 CarbonylContact O-C 3.56Å; V10-G21 WeakPolarHBondContact O-CA 3.43Å; V10-V22 HydrophobicContact CB-CB 4.3Å; V10-V22 PolarHBondContact N-O 3.41Å; V10-V22 VanDerWaalsContact N-O 3.14Å; V10-V22 PolarHBondContact O-N 3.42Å; V10-L24 HydrophobicContact CG2-CD1 3.51Å; V10-L24 HydrophobicContact CG2-CD2 4.36Å; V10-L24 HydrophobicContact CG2-CG 3.89Å; V10-L290 HydrophobicContact CB-CD2 4.08Å; V10-L290 HydrophobicContact CG1-CD1 4.11Å; V10-L290 HydrophobicContact CG1-CD2 3.91Å; V10-L290 HydrophobicContact CG2-CD2 4.19Å; V10-L313 HydrophobicContact CG1-CD1 4.48Å; V10-L313 HydrophobicContact CG1-CD2 4.44Å; V10-L313 HydrophobicContact CG1-CG 4.18Å; V10-L315 HydrophobicContact CB-CD2 4.11Å; V10-L315 HydrophobicContact CG1-CD2 3.86Å; V10-L315 HydrophobicContact CG2-CD2 3.46Å; V10-L315 VanDerWaalsContact CG2-CD2 3.46Å |
| 11 | W | 92.1 | Very high | 82.1 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.3 | 176 | -61.3 | 94.5 | 0 | 0 | 0 | 110.2 | C8 L19 K20 F32 W49 L57 F69 T71 L314 | C8-W11 HydrophobicContact CB-CH2 4.03Å; C8-W11 HydrophobicContact CB-CZ2 3.6Å; W11-L19 HydrophobicContact CB-CD1 4.48Å; W11-L19 HydrophobicContact CE3-CD1 4.07Å; W11-L19 HydrophobicContact CE3-CD2 4.16Å; W11-L19 HydrophobicContact CE3-CG 4.08Å; W11-L19 HydrophobicContact CZ3-CD2 4.21Å; W11-L19 HydrophobicContact CZ3-CG 4.4Å; W11-K20 CarbonylContact C-O 3.55Å; W11-K20 WeakPolarHBondContact CA-O 3.41Å; W11-F32 HydrophobicContact CE3-CD2 4.46Å; W11-F32 HydrophobicContact CE3-CE2 4.45Å; W11-F32 HydrophobicContact CH2-CD2 4.2Å; W11-F32 AromaticContact CH2-CE2 3.76Å; W11-F32 HydrophobicContact CH2-CE2 3.76Å; W11-F32 AromaticContact CH2-CZ 3.96Å; W11-F32 HydrophobicContact CH2-CZ 3.96Å; W11-F32 AromaticContact CZ3-CD2 3.52Å; W11-F32 HydrophobicContact CZ3-CD2 3.52Å; W11-F32 AromaticContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CE2 3.43Å; W11-F32 VanDerWaalsContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CG 4.24Å; W11-F32 HydrophobicContact CZ3-CZ 4.1Å; W11-W49 AromaticContact CD1-CH2 3.57Å; W11-W49 AromaticContact CD1-CZ2 3.84Å; W11-W49 AromaticContact NE1-CH2 3.56Å; W11-L57 HydrophobicContact CB-CD1 4.25Å; W11-L57 HydrophobicContact CD2-CD1 3.44Å; W11-L57 VanDerWaalsContact CD2-CD1 3.44Å; W11-L57 HydrophobicContact CE3-CD1 3.83Å; W11-L57 HydrophobicContact CG-CD1 3.62Å; W11-L57 HydrophobicContact CZ2-CD1 4.26Å; W11-L57 HydrophobicContact CZ3-CD1 4.36Å; W11-F69 AromaticContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CZ 4.23Å; W11-F69 HydrophobicContact CZ2-CE1 4.45Å; W11-F69 HydrophobicContact CZ3-CD1 4.4Å; W11-F69 AromaticContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CZ 4.19Å; W11-T71 HydrophobicContact CZ2-CG2 3.9Å; W11-L314 HydrophobicContact CB-CB 4.26Å; W11-L314 PolarHBondContact N-O 3.47Å; W11-L314 PolarHBondContact O-N 2.8Å |
| 12 | L | 92 | Very high | 83.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.5 | -171.6 | -62.2 | 164.8 | 0 | 0 | 0 | 110.5 | V10 K20 V22 C284 L290 L306 L310 L313 | V10-L12 HydrophobicContact CG1-CD2 4.22Å; V10-L12 HydrophobicContact CG1-CG 4.19Å; L12-K20 HydrophobicContact CB-CB 4.32Å; L12-K20 PolarHBondContact N-O 2.89Å; L12-K20 PolarHBondContact O-N 3.37Å; L12-V22 HydrophobicContact CD1-CG2 3.85Å; L12-C284 HydrophobicContact CD2-CB 4.34Å; L12-L290 HydrophobicContact CD1-CB 4.17Å; L12-L290 HydrophobicContact CD1-CD1 4.37Å; L12-L290 HydrophobicContact CD1-CD2 4.16Å; L12-L290 HydrophobicContact CD1-CG 4.46Å; L12-L290 HydrophobicContact CD2-CD1 4.19Å; L12-L306 HydrophobicContact CD1-CD1 3.14Å; L12-L310 HydrophobicContact CB-CD2 4.22Å; L12-L310 HydrophobicContact CD1-CD1 4.17Å; L12-L313 HydrophobicContact CD2-CB 3.76Å; L12-L313 HydrophobicContact CD2-CD1 3.62Å; L12-L313 HydrophobicContact CD2-CG 3.53Å |
| 13 | G | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 144.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L310 T311 C312 | G13-L310 WeakPolarHBondContact O-CA 3.46Å; G13-T311 PolarHBondContact O-N 3.36Å; G13-T311 PolarHBondContact O-OG1 2.85Å; G13-T311 VanDerWaalsContact O-OG1 3.13Å; G13-C312 PolarHBondContact N-O 3.33Å; G13-C312 VanDerWaalsContact N-O 3.1Å |
| 14 | S | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 162.3 | 170.5 | 80.1 | 0 | 0 | 0 | 0 | 112.4 | T16 G17 I18 V44 R309 | S14-T16 PolarHBondContact O-N 3.46Å; S14-T16 PolarHBondContact OG-N 3.48Å; S14-T16 PolarHBondContact OG-OG1 3.46Å; S14-G17 PolarHBondContact O-N 3.4Å; S14-G17 VanDerWaalsContact O-N 3.16Å; S14-I18 PolarHBondContact N-O 3.26Å; S14-I18 VanDerWaalsContact OG-CB 3.29Å; S14-I18 WeakPolarHBondContact OG-CB 3.45Å; S14-I18 PolarHBondContact OG-N 3.38Å; S14-V44 PolarHBondContact O-N 2.96Å; S14-V44 VanDerWaalsContact O-N 3.14Å; S14-R309 WeakPolarHBondContact CA-O 3.5Å |
| 15 | E | 88.4 | Confident | 85.4 | Confident | 29 Ų | 29 | 21.8 Ų | 21.8 | 14% | 0.136 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.1 | 171.6 | -166.7 | -174.9 | 162.4 | 0 | 0 | 113.4 | E43 R309 T311 | E15-E43 WeakPolarHBondContact O-CA 3.4Å; E15-E43 WeakPolarHBondContact O-CB 3.27Å; E15-R309 PolarHBondContact N-O 3.2Å; E15-R309 IonicContact OE1-CZ 2.64Å; E15-R309 IonicContact OE1-NH2 3.4Å; E15-R309 PolarHBondContact OE1-NH2 3.48Å; E15-R309 IonicContact OE2-CZ 2.81Å; E15-R309 IonicContact OE2-NE 3.72Å; E15-R309 PolarHBondContact OE2-NE 3.37Å; E15-R309 IonicContact OE2-NH2 3.25Å; E15-R309 PolarHBondContact OE2-NH2 3.25Å; E15-T311 HydrophobicContact CB-CG2 4.14Å |
| 16 | T | 85.4 | Confident | 85.8 | Confident | 46 Ų | 46 | 28.8 Ų | 28.8 | 28% | 0.282 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 11.2 | 180 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | S14 I18 S39 | S14-T16 PolarHBondContact O-N 3.46Å; S14-T16 PolarHBondContact OG-N 3.48Å; S14-T16 PolarHBondContact OG-OG1 3.46Å; T16-I18 WeakPolarHBondContact OG1-CD1 3.36Å; T16-I18 WeakPolarHBondContact OG1-CG1 3.08Å; T16-S39 CarbonylContact C-O 3.54Å |
| 17 | G | 83.9 | Confident | 86 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 9% | 0.093 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 78.5 | 14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S14 Q42 | S14-G17 PolarHBondContact O-N 3.4Å; S14-G17 VanDerWaalsContact O-N 3.16Å; G17-Q42 WeakPolarHBondContact CA-O 3.46Å |
| 18 | I | 88.9 | Confident | 86.4 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | trans | -85.4 | 126.5 | -179.6 | -57.7 | 170.8 | 0 | 0 | 0 | 109.7 | S14 T16 K20 N31 S33 L38 | S14-I18 PolarHBondContact N-O 3.26Å; S14-I18 VanDerWaalsContact OG-CB 3.29Å; S14-I18 WeakPolarHBondContact OG-CB 3.45Å; S14-I18 PolarHBondContact OG-N 3.38Å; T16-I18 WeakPolarHBondContact OG1-CD1 3.36Å; T16-I18 WeakPolarHBondContact OG1-CG1 3.08Å; I18-K20 HydrophobicContact CG2-CD 4.36Å; I18-K20 HydrophobicContact CG2-CG 3.63Å; I18-N31 HydrophobicContact CG2-CB 4.16Å; I18-S33 WeakPolarHBondContact CA-OG 3.05Å; I18-S33 WeakPolarHBondContact CG2-OG 3.49Å; I18-L38 HydrophobicContact CD1-CD1 3.88Å; I18-L38 HydrophobicContact CD1-CD2 3.82Å; I18-L38 HydrophobicContact CG1-CD1 4.38Å; I18-L38 HydrophobicContact CG1-CD2 3.36Å | ||
| 19 | L | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121 | 161.2 | -177.7 | 60.8 | 0 | 0 | 0 | 109.5 | W11 F32 L47 L59 F69 F76 | W11-L19 HydrophobicContact CB-CD1 4.48Å; W11-L19 HydrophobicContact CE3-CD1 4.07Å; W11-L19 HydrophobicContact CE3-CD2 4.16Å; W11-L19 HydrophobicContact CE3-CG 4.08Å; W11-L19 HydrophobicContact CZ3-CD2 4.21Å; W11-L19 HydrophobicContact CZ3-CG 4.4Å; L19-F32 PolarHBondContact O-N 3.01Å; L19-L47 HydrophobicContact CD1-CD2 4.33Å; L19-L59 HydrophobicContact CB-CD2 3.88Å; L19-L59 HydrophobicContact CD1-CD2 3.89Å; L19-L59 HydrophobicContact CD2-CD1 4.31Å; L19-L59 HydrophobicContact CD2-CD2 4.1Å; L19-L59 HydrophobicContact CG-CD2 4.14Å; L19-F69 HydrophobicContact CD2-CB 4.06Å; L19-F69 HydrophobicContact CD2-CD1 3.74Å; L19-F69 HydrophobicContact CD2-CD2 3.92Å; L19-F69 HydrophobicContact CD2-CE1 4.12Å; L19-F69 HydrophobicContact CD2-CE2 4.29Å; L19-F69 HydrophobicContact CD2-CG 3.61Å; L19-F69 HydrophobicContact CD2-CZ 4.37Å; L19-F76 HydrophobicContact CB-CZ 4.29Å; L19-F76 HydrophobicContact CD2-CZ 4.34Å |
| 20 | K | 90.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.1 | 174.9 | -56.4 | -169 | 172.5 | -173.1 | 0 | 109.9 | W11 L12 I18 F30 N31 L306 S308 | W11-K20 CarbonylContact C-O 3.55Å; W11-K20 WeakPolarHBondContact CA-O 3.41Å; L12-K20 HydrophobicContact CB-CB 4.32Å; L12-K20 PolarHBondContact N-O 2.89Å; L12-K20 PolarHBondContact O-N 3.37Å; I18-K20 HydrophobicContact CG2-CD 4.36Å; I18-K20 HydrophobicContact CG2-CG 3.63Å; K20-F30 CarbonylContact C-O 3.57Å; K20-F30 VanDerWaalsContact CA-O 3.26Å; K20-F30 WeakPolarHBondContact CA-O 3.37Å; K20-N31 WeakPolarHBondContact CD-OD1 3.35Å; K20-N31 WeakPolarHBondContact CE-OD1 3.39Å; K20-N31 WeakPolarHBondContact CG-OD1 3.33Å; K20-L306 HydrophobicContact CD-CB 4.47Å; K20-L306 HydrophobicContact CD-CD2 4.4Å; K20-L306 PolarHBondContact NZ-O 3.44Å; K20-S308 WeakPolarHBondContact CE-OG 3.44Å; K20-S308 PolarHBondContact NZ-OG 2.73Å |
| 21 | G | 89.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | C8 V10 F30 | C8-G21 VanDerWaalsContact SG-CA 3.57Å; V10-G21 CarbonylContact O-C 3.56Å; V10-G21 WeakPolarHBondContact O-CA 3.43Å; G21-F30 PolarHBondContact N-O 3.23Å; G21-F30 PolarHBondContact O-N 3.03Å |
| 22 | V | 88.9 | Confident | 86 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.6 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | S9 V10 L12 L24 Q28 A29 L290 V304 L306 | S9-V22 PolarHBondContact N-O 3.43Å; V10-V22 HydrophobicContact CB-CB 4.3Å; V10-V22 PolarHBondContact N-O 3.41Å; V10-V22 VanDerWaalsContact N-O 3.14Å; V10-V22 PolarHBondContact O-N 3.42Å; L12-V22 HydrophobicContact CD1-CG2 3.85Å; V22-L24 HydrophobicContact CG1-CD2 4.36Å; V22-Q28 WeakPolarHBondContact CA-O 3.42Å; V22-A29 HydrophobicContact CG2-CB 4.12Å; V22-L290 HydrophobicContact CB-CD2 4.06Å; V22-L290 HydrophobicContact CG1-CD2 4.01Å; V22-L290 HydrophobicContact CG2-CD2 4.05Å; V22-V304 HydrophobicContact CG1-CG1 4.23Å; V22-V304 HydrophobicContact CG1-CG2 4.23Å; V22-L306 HydrophobicContact CG2-CD1 4.27Å; V22-L306 HydrophobicContact CG2-CD2 3.83Å |
| 23 | S | 86.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114 | 168.3 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L7 D25 K27 Q28 | L7-S23 WeakPolarHBondContact O-CA 3.24Å; L7-S23 WeakPolarHBondContact O-CB 3.26Å; L7-S23 PolarHBondContact O-OG 3.08Å; S23-D25 VanDerWaalsContact C-N 3.34Å; S23-K27 VanDerWaalsContact O-CA 3.31Å; S23-K27 WeakPolarHBondContact O-CA 3.2Å; S23-K27 PolarHBondContact O-N 3.29Å; S23-Q28 PolarHBondContact N-O 2.92Å; S23-Q28 PolarHBondContact O-N 2.93Å |
| 24 | L | 81.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -30.7 | -179.1 | -70.7 | 174.7 | 0 | 0 | 0 | 112.3 | S9 V10 V22 K27 L290 V292 H302 L320 | S9-L24 WeakPolarHBondContact OG-CG 3.49Å; S9-L24 PolarHBondContact OG-N 3.48Å; V10-L24 HydrophobicContact CG2-CD1 3.51Å; V10-L24 HydrophobicContact CG2-CD2 4.36Å; V10-L24 HydrophobicContact CG2-CG 3.89Å; V22-L24 HydrophobicContact CG1-CD2 4.36Å; L24-K27 PolarHBondContact O-N 2.89Å; L24-L290 HydrophobicContact CD2-CD2 4.42Å; L24-V292 HydrophobicContact CD1-CG2 4.04Å; L24-V292 HydrophobicContact CD2-CG2 4.09Å; L24-H302 HydrophobicContact CD2-CB 3.88Å; L24-H302 PolarHBondContact O-CE1 3.48Å; L24-L320 HydrophobicContact CB-CD2 4.03Å; L24-L320 HydrophobicContact CD1-CD1 4.05Å; L24-L320 HydrophobicContact CD1-CD2 3.34Å; L24-L320 HydrophobicContact CD1-CG 4.34Å; L24-L320 HydrophobicContact CG-CD2 4.19Å |
| 25 | D | 79 | Confident | 83.4 | Confident | 114 Ų | 114 | 46.9 Ų | 46.9 | 61% | 0.61 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -47.1 | 176.2 | -54.7 | -29.1 | 0 | 0 | 0 | 111.5 | S23 | S23-D25 VanDerWaalsContact C-N 3.34Š|
| 26 | R | 77.6 | Confident | 82 | Confident | 148 Ų | 148 | 56.5 Ų | 56.5 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.6 | -179 | -61.5 | -171.6 | -179.3 | -167.6 | 1.6 | 113.3 | Q28 | R26-Q28 HydrophobicContact CB-CB 4.29Å; R26-Q28 HydrophobicContact CB-CG 4.4Å; R26-Q28 PolarHBondContact O-N 3.32Å; R26-Q28 VanDerWaalsContact O-N 3.09Å |
| 27 | K | 78.4 | Confident | 81 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 62% | 0.617 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 30.7 | -171 | -59.3 | 178.3 | -178.6 | 174.2 | 0 | 112.9 | S23 L24 | S23-K27 VanDerWaalsContact O-CA 3.31Å; S23-K27 WeakPolarHBondContact O-CA 3.2Å; S23-K27 PolarHBondContact O-N 3.29Å; L24-K27 PolarHBondContact O-N 2.89Å |
| 28 | Q | 82.7 | Confident | 80.6 | Confident | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.6 | -177.9 | -79 | -177.9 | 5.1 | 0 | 0 | 110.9 | V22 S23 R26 F30 | V22-Q28 WeakPolarHBondContact CA-O 3.42Å; S23-Q28 PolarHBondContact N-O 2.92Å; S23-Q28 PolarHBondContact O-N 2.93Å; R26-Q28 HydrophobicContact CB-CB 4.29Å; R26-Q28 HydrophobicContact CB-CG 4.4Å; R26-Q28 PolarHBondContact O-N 3.32Å; R26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-F30 HydrophobicContact CB-CE1 4.48Å; Q28-F30 HydrophobicContact CB-CE2 4.32Å; Q28-F30 HydrophobicContact CB-CZ 3.97Å |
| 29 | A | 84.6 | Confident | 80.1 | Confident | 45 Ų | 45 | 63 Ų | 63 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V22 L306 | V22-A29 HydrophobicContact CG2-CB 4.12Å; A29-L306 HydrophobicContact CB-CD2 3.2Å |
| 30 | F | 85.9 | Confident | 79.6 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.1 | 179 | -54.1 | -70.4 | 0 | 0 | 0 | 109.5 | R4 K20 G21 Q28 F32 | R4-F30 HydrophobicContact CB-CD1 4.29Å; R4-F30 HydrophobicContact CB-CD2 4.17Å; R4-F30 HydrophobicContact CB-CE1 4.49Å; R4-F30 HydrophobicContact CB-CE2 4.37Å; R4-F30 HydrophobicContact CB-CG 4.11Å; R4-F30 HydrophobicContact CG-CD1 4.18Å; R4-F30 HydrophobicContact CG-CE1 4.1Å; R4-F30 HydrophobicContact CG-CZ 4.36Å; K20-F30 CarbonylContact C-O 3.57Å; K20-F30 VanDerWaalsContact CA-O 3.26Å; K20-F30 WeakPolarHBondContact CA-O 3.37Å; G21-F30 PolarHBondContact N-O 3.23Å; G21-F30 PolarHBondContact O-N 3.03Å; Q28-F30 HydrophobicContact CB-CE1 4.48Å; Q28-F30 HydrophobicContact CB-CE2 4.32Å; Q28-F30 HydrophobicContact CB-CZ 3.97Å; F30-F32 HydrophobicContact CB-CD2 4.49Å; F30-F32 HydrophobicContact CB-CE2 3.74Å; F30-F32 HydrophobicContact CB-CZ 3.91Å |
| 31 | N | 87.6 | Confident | 79.2 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.8 | 171.7 | -59.5 | -27.9 | 0 | 0 | 0 | 108.3 | I18 K20 | I18-N31 HydrophobicContact CG2-CB 4.16Å; K20-N31 WeakPolarHBondContact CD-OD1 3.35Å; K20-N31 WeakPolarHBondContact CE-OD1 3.39Å; K20-N31 WeakPolarHBondContact CG-OD1 3.33Å |
| 32 | F | 82.1 | Confident | 78.9 | Confident | 9 Ų | 9 | 78.2 Ų | 78.2 | 4% | 0.039 | 38% | 0.381 | C | S | . | . | trans | -107.5 | -14.3 | -179.4 | -67.4 | -85.1 | 0 | 0 | 0 | 113.3 | M1 R4 W11 L19 F30 F69 | M1-F32 HydrophobicContact CB-CD1 4.47Å; M1-F32 HydrophobicContact CB-CE1 4.44Å; M1-F32 HydrophobicContact SD-CD1 4.29Å; R4-F32 HydrophobicContact CB-CE1 4.45Å; R4-F32 HydrophobicContact CB-CZ 4.29Å; W11-F32 HydrophobicContact CE3-CD2 4.46Å; W11-F32 HydrophobicContact CE3-CE2 4.45Å; W11-F32 HydrophobicContact CH2-CD2 4.2Å; W11-F32 AromaticContact CH2-CE2 3.76Å; W11-F32 HydrophobicContact CH2-CE2 3.76Å; W11-F32 AromaticContact CH2-CZ 3.96Å; W11-F32 HydrophobicContact CH2-CZ 3.96Å; W11-F32 AromaticContact CZ3-CD2 3.52Å; W11-F32 HydrophobicContact CZ3-CD2 3.52Å; W11-F32 AromaticContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CE2 3.43Å; W11-F32 VanDerWaalsContact CZ3-CE2 3.43Å; W11-F32 HydrophobicContact CZ3-CG 4.24Å; W11-F32 HydrophobicContact CZ3-CZ 4.1Å; L19-F32 PolarHBondContact O-N 3.01Å; F30-F32 HydrophobicContact CB-CD2 4.49Å; F30-F32 HydrophobicContact CB-CE2 3.74Å; F30-F32 HydrophobicContact CB-CZ 3.91Å; F32-F69 HydrophobicContact CB-CE2 3.73Å; F32-F69 HydrophobicContact CB-CZ 3.84Å; F32-F69 HydrophobicContact CD1-CE2 4.14Å; F32-F69 AromaticContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD2-CZ 4.46Å; F32-F69 HydrophobicContact CE1-CZ 4.26Å; F32-F69 HydrophobicContact CG-CE2 4.12Å; F32-F69 AromaticContact CG-CZ 3.71Å; F32-F69 HydrophobicContact CG-CZ 3.71Å | ||
| 33 | S | 79.2 | Confident | 78.9 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -85.9 | 153.8 | 172.3 | 65.9 | 0 | 0 | 0 | 0 | 112 | I18 T35 | I18-S33 WeakPolarHBondContact CA-OG 3.05Å; I18-S33 WeakPolarHBondContact CG2-OG 3.49Å; S33-T35 PolarHBondContact O-N 2.85Å |
| 34 | N | 71 | Confident | 79.1 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | trans | -69.6 | 117.8 | 174.2 | -165.4 | -18.2 | 0 | 0 | 0 | 110.6 | R36 T37 | N34-R36 PolarHBondContact O-N 3.09Å; N34-R36 VanDerWaalsContact O-N 3.14Å; N34-R36 PolarHBondContact OD1-N 3.38Å; N34-T37 PolarHBondContact O-N 2.79Å | ||
| 35 | T | 68.7 | Low | 79.5 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -9.4 | -177.3 | -13.6 | 0 | 0 | 0 | 0 | 113.8 | S33 L38 | S33-T35 PolarHBondContact O-N 2.85Å; T35-L38 HydrophobicContact CG2-CD1 3.86Å; T35-L38 WeakPolarHBondContact O-CD1 3.24Å; T35-L38 WeakPolarHBondContact O-CG 3.28Å |
| 36 | R | 59.8 | Low | 80 | Confident | 231 Ų | 231 | 77.6 Ų | 77.6 | 87% | 0.872 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -20.6 | -178.5 | -67.6 | -175.3 | 178 | 178.8 | -0.8 | 114.3 | N34 | N34-R36 PolarHBondContact O-N 3.09Å; N34-R36 VanDerWaalsContact O-N 3.14Å; N34-R36 PolarHBondContact OD1-N 3.38Å |
| 37 | T | 63.8 | Low | 80.7 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 56% | 0.564 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -114.6 | 41.1 | -175.2 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | N34 | N34-T37 PolarHBondContact O-N 2.79Š|
| 38 | L | 75.4 | Confident | 81.3 | Confident | 70 Ų | 70 | 66 Ų | 66 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | trans | -82.3 | 120.9 | -177.5 | -60.3 | 176.7 | 0 | 0 | 0 | 110.2 | I18 T35 | I18-L38 HydrophobicContact CD1-CD1 3.88Å; I18-L38 HydrophobicContact CD1-CD2 3.82Å; I18-L38 HydrophobicContact CG1-CD1 4.38Å; I18-L38 HydrophobicContact CG1-CD2 3.36Å; T35-L38 HydrophobicContact CG2-CD1 3.86Å; T35-L38 WeakPolarHBondContact O-CD1 3.24Å; T35-L38 WeakPolarHBondContact O-CG 3.28Å | ||
| 39 | S | 79.1 | Confident | 81.7 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | trans | -128.4 | 151.9 | 167.4 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | T16 D41 Q42 | T16-S39 CarbonylContact C-O 3.54Å; S39-D41 PolarHBondContact O-N 3.26Å; S39-D41 PolarHBondContact OG-N 3.35Å; S39-D41 PolarHBondContact OG-OD2 3.39Å; S39-Q42 PolarHBondContact O-N 2.98Å | ||
| 40 | R | 80.2 | Confident | 81.9 | Confident | 166 Ų | 166 | 61.1 Ų | 61.1 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -68 | -23.1 | 169.3 | -68.9 | -174 | 179.7 | 177.5 | 1.5 | 112 | Q42 E43 | R40-Q42 PolarHBondContact O-N 3.17Å; R40-E43 WeakPolarHBondContact O-CB 3.28Å; R40-E43 PolarHBondContact O-N 3.18Å; R40-E43 VanDerWaalsContact O-N 3.09Å |
| 41 | D | 81.1 | Confident | 81.8 | Confident | 114 Ų | 114 | 62 Ų | 62 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -65.4 | -21.1 | 176 | -47.7 | -43.6 | 0 | 0 | 0 | 111.7 | S39 A62 D63 | S39-D41 PolarHBondContact O-N 3.26Å; S39-D41 PolarHBondContact OG-N 3.35Å; S39-D41 PolarHBondContact OG-OD2 3.39Å; D41-A62 CarbonylContact O-C 3.55Å; D41-D63 PolarHBondContact O-N 2.79Å; D41-D63 VanDerWaalsContact O-N 3.1Å |
| 42 | Q | 82.9 | Confident | 81.4 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -98 | 18.2 | 177.3 | -59.2 | -170.9 | 1.3 | 0 | 0 | 112.8 | G17 S39 R40 V44 | G17-Q42 WeakPolarHBondContact CA-O 3.46Å; S39-Q42 PolarHBondContact O-N 2.98Å; R40-Q42 PolarHBondContact O-N 3.17Å; Q42-V44 PolarHBondContact O-N 2.86Å |
| 43 | E | 89.1 | Confident | 81.4 | Confident | 30 Ų | 30 | 68 Ų | 68 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | trans | -44.8 | 126.6 | 176.5 | 165.9 | 169.4 | 177.6 | 0 | 0 | 110.7 | E15 R40 R45 C61 A62 T311 | E15-E43 WeakPolarHBondContact O-CA 3.4Å; E15-E43 WeakPolarHBondContact O-CB 3.27Å; R40-E43 WeakPolarHBondContact O-CB 3.28Å; R40-E43 PolarHBondContact O-N 3.18Å; R40-E43 VanDerWaalsContact O-N 3.09Å; E43-R45 PolarHBondContact O-N 2.83Å; E43-R45 WeakPolarHBondContact OE1-CD 3.38Å; E43-R45 IonicContact OE1-CZ 3.79Å; E43-R45 IonicContact OE1-NH1 3.03Å; E43-R45 PolarHBondContact OE1-NH1 2.96Å; E43-C61 CarbonylContact O-C 3.55Å; E43-C61 VanDerWaalsContact O-CA 3.29Å; E43-C61 WeakPolarHBondContact O-CA 3.44Å; E43-A62 HydrophobicContact CB-CB 4.05Å; E43-A62 PolarHBondContact O-N 2.95Å; E43-T311 HydrophobicContact CG-CG2 4.11Å; E43-T311 WeakPolarHBondContact OE1-CG2 3.36Å | ||
| 44 | V | 90.7 | Very high | 81.6 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.4 | 173 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | S14 Q42 L47 L59 T311 | S14-V44 PolarHBondContact O-N 2.96Å; S14-V44 VanDerWaalsContact O-N 3.14Å; Q42-V44 PolarHBondContact O-N 2.86Å; V44-L47 HydrophobicContact CG1-CD2 3.89Å; V44-L47 HydrophobicContact CG1-CG 3.95Å; V44-L59 HydrophobicContact CG1-CB 4.31Å; V44-L59 HydrophobicContact CG1-CD2 4.13Å; V44-L59 HydrophobicContact CG2-CD2 4.16Å; V44-T311 WeakPolarHBondContact O-CB 3.39Å; V44-T311 PolarHBondContact O-OG1 3.43Å |
| 45 | R | 90.8 | Very high | 82.3 | Confident | 69 Ų | 69 | 65 Ų | 65 | 26% | 0.26 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -34.2 | -174.7 | -157.9 | 68.4 | -179.5 | 136.3 | 6 | 112.9 | E43 G60 C89 F90 | E43-R45 PolarHBondContact O-N 2.83Å; E43-R45 WeakPolarHBondContact OE1-CD 3.38Å; E43-R45 IonicContact OE1-CZ 3.79Å; E43-R45 IonicContact OE1-NH1 3.03Å; E43-R45 PolarHBondContact OE1-NH1 2.96Å; R45-G60 PolarHBondContact N-O 3.27Å; R45-C89 HydrophobicContact CG-CB 4.4Å; R45-F90 WeakPolarHBondContact CG-O 3.26Å |
| 46 | A | 89.8 | Confident | 83.3 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G60 L93 | A46-G60 PolarHBondContact N-O 2.65Å; A46-G60 PolarHBondContact O-N 2.86Å; A46-L93 HydrophobicContact CB-CB 3.67Å |
| 47 | L | 92.2 | Very high | 84.8 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.3 | 173.7 | -76.6 | 173.2 | 0 | 0 | 0 | 108.6 | L19 V44 L58 L59 C312 L314 | L19-L47 HydrophobicContact CD1-CD2 4.33Å; V44-L47 HydrophobicContact CG1-CD2 3.89Å; V44-L47 HydrophobicContact CG1-CG 3.95Å; L47-L58 WeakPolarHBondContact CA-O 3.47Å; L47-L59 HydrophobicContact CD2-CB 4.18Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; L47-L59 HydrophobicContact CD2-CG 3.56Å; L47-C312 HydrophobicContact CD1-CB 4.24Å; L47-C312 WeakPolarHBondContact CD1-SG 3.44Å; L47-C312 HydrophobicContact CG-CB 4.33Å; L47-C312 VanDerWaalsContact CG-SG 3.51Å; L47-L314 HydrophobicContact CB-CB 4.26Å |
| 48 | C | 91.6 | Very high | 86.1 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 152.2 | 175.6 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | L58 L93 | C48-L58 PolarHBondContact N-O 2.9Å; C48-L58 VanDerWaalsContact N-O 3.09Å; C48-L58 PolarHBondContact O-N 3.48Å; C48-L93 HydrophobicContact CB-CD2 4.48Å; C48-L93 HydrophobicContact CB-CG 4.37Å |
| 49 | W | 91.4 | Very high | 86.9 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.6 | 166.5 | -66.7 | 117 | 0 | 0 | 0 | 109.3 | W11 E54 L57 T71 L314 L315 A316 | W11-W49 AromaticContact CD1-CH2 3.57Å; W11-W49 AromaticContact CD1-CZ2 3.84Å; W11-W49 AromaticContact NE1-CH2 3.56Å; W49-E54 HydrophobicContact CD2-CB 4.01Å; W49-E54 HydrophobicContact CD2-CG 3.76Å; W49-E54 HydrophobicContact CE3-CB 3.68Å; W49-E54 HydrophobicContact CE3-CG 3.97Å; W49-E54 HydrophobicContact CG-CG 4.15Å; W49-E54 HydrophobicContact CH2-CB 3.94Å; W49-E54 HydrophobicContact CH2-CG 4.41Å; W49-E54 HydrophobicContact CZ2-CB 4.26Å; W49-E54 HydrophobicContact CZ2-CG 4.23Å; W49-E54 HydrophobicContact CZ3-CB 3.62Å; W49-E54 HydrophobicContact CZ3-CG 4.27Å; W49-E54 VanDerWaalsContact CZ3-O 3.28Å; W49-E54 WeakPolarHBondContact CZ3-O 3.32Å; W49-L57 HydrophobicContact CD2-CD2 3.69Å; W49-L57 HydrophobicContact CE3-CD2 3.21Å; W49-L57 HydrophobicContact CE3-CG 3.79Å; W49-L57 HydrophobicContact CH2-CD1 4.31Å; W49-L57 HydrophobicContact CH2-CD2 3.65Å; W49-L57 HydrophobicContact CH2-CG 4.11Å; W49-L57 HydrophobicContact CZ2-CD2 4.07Å; W49-L57 HydrophobicContact CZ3-CD1 4.09Å; W49-L57 HydrophobicContact CZ3-CD2 3.21Å; W49-L57 HydrophobicContact CZ3-CG 3.46Å; W49-L57 VanDerWaalsContact CZ3-CG 3.46Å; W49-T71 HydrophobicContact CH2-CG2 4.21Å; W49-T71 HydrophobicContact CZ3-CG2 3.74Å; W49-L314 HydrophobicContact CD2-CD2 3.69Å; W49-L314 HydrophobicContact CD2-CG 4.37Å; W49-L314 VanDerWaalsContact CE2-CD2 3.48Å; W49-L314 HydrophobicContact CE3-CD2 4.39Å; W49-L314 HydrophobicContact CG-CD1 4.48Å; W49-L314 HydrophobicContact CG-CD2 3.87Å; W49-L314 HydrophobicContact CG-CG 4.45Å; W49-L314 HydrophobicContact CZ2-CD2 4Å; W49-L314 HydrophobicContact CZ2-CG 4.17Å; W49-L315 PolarHBondContact NE1-O 3.14Å; W49-L315 VanDerWaalsContact NE1-O 3.09Å; W49-A316 HydrophobicContact CZ2-CB 4.03Å |
| 50 | A | 87 | Confident | 87.5 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -72.5 | -38.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E56 L58 S95 | A50-E56 HydrophobicContact CB-CB 3.75Å; A50-E56 PolarHBondContact N-O 3.5Å; A50-L58 HydrophobicContact CB-CD1 4.09Å; A50-L58 HydrophobicContact CB-CD2 4.06Å; A50-L58 HydrophobicContact CB-CG 3.8Å; A50-S95 WeakPolarHBondContact O-CB 3.34Å; A50-S95 PolarHBondContact O-OG 2.94Å |
| 51 | D | 83.8 | Confident | 87.9 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -123.9 | 148.3 | -174.4 | -62.3 | -49.4 | 0 | 0 | 0 | 112 | A53 E54 S55 | D51-A53 HydrophobicContact CB-CB 4.47Å; D51-A53 PolarHBondContact O-N 2.93Å; D51-A53 VanDerWaalsContact O-N 3.16Å; D51-E54 PolarHBondContact O-N 3.14Å; D51-S55 PolarHBondContact OD2-OG 2.98Å |
| 52 | P | 79.1 | Confident | 88.2 | Confident | 130 Ų | 130 | 31.3 Ų | 31.3 | 84% | 0.844 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22 | 168.2 | -22.4 | 33.5 | 0 | 0 | 0 | 113.6 | E54 | P52-E54 VanDerWaalsContact C-N 3.27Š|
| 53 | A | 82 | Confident | 88.2 | Confident | 83 Ų | 83 | 30.8 Ų | 30.8 | 69% | 0.686 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -5.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D51 S55 | D51-A53 HydrophobicContact CB-CB 4.47Å; D51-A53 PolarHBondContact O-N 2.93Å; D51-A53 VanDerWaalsContact O-N 3.16Å; A53-S55 PolarHBondContact O-N 3.11Å |
| 54 | E | 84.8 | Confident | 88 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | trans | 59.9 | 24.8 | 177.7 | -56.7 | -177.4 | 177.2 | 0 | 0 | 114.7 | W49 D51 P52 T71 A316 S317 | W49-E54 HydrophobicContact CD2-CB 4.01Å; W49-E54 HydrophobicContact CD2-CG 3.76Å; W49-E54 HydrophobicContact CE3-CB 3.68Å; W49-E54 HydrophobicContact CE3-CG 3.97Å; W49-E54 HydrophobicContact CG-CG 4.15Å; W49-E54 HydrophobicContact CH2-CB 3.94Å; W49-E54 HydrophobicContact CH2-CG 4.41Å; W49-E54 HydrophobicContact CZ2-CB 4.26Å; W49-E54 HydrophobicContact CZ2-CG 4.23Å; W49-E54 HydrophobicContact CZ3-CB 3.62Å; W49-E54 HydrophobicContact CZ3-CG 4.27Å; W49-E54 VanDerWaalsContact CZ3-O 3.28Å; W49-E54 WeakPolarHBondContact CZ3-O 3.32Å; D51-E54 PolarHBondContact O-N 3.14Å; P52-E54 VanDerWaalsContact C-N 3.27Å; E54-T71 PolarHBondContact O-OG1 3.39Å; E54-A316 VanDerWaalsContact OE2-CA 3.24Å; E54-A316 WeakPolarHBondContact OE2-CA 3.38Å; E54-A316 VanDerWaalsContact OE2-CB 3.28Å; E54-A316 WeakPolarHBondContact OE2-CB 3.39Å; E54-S317 VanDerWaalsContact CD-N 3.29Å; E54-S317 WeakPolarHBondContact OE1-CA 3.32Å; E54-S317 WeakPolarHBondContact OE1-CB 3.45Å; E54-S317 PolarHBondContact OE1-N 2.83Å; E54-S317 PolarHBondContact OE1-OG 3.18Å; E54-S317 PolarHBondContact OE2-N 3.37Å; E54-S317 PolarHBondContact OE2-OG 3.07Å | ||
| 55 | S | 85.9 | Confident | 87.9 | Confident | 26 Ų | 26 | 31 Ų | 31 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | trans | -70.3 | -34.1 | 174.5 | 36 | 0 | 0 | 0 | 0 | 112.9 | D51 A53 T71 | D51-S55 PolarHBondContact OD2-OG 2.98Å; A53-S55 PolarHBondContact O-N 3.11Å; S55-T71 PolarHBondContact O-N 2.78Å; S55-T71 PolarHBondContact O-OG1 2.63Å | ||
| 56 | E | 89.4 | Confident | 87.9 | Confident | 65 Ų | 65 | 27.7 Ų | 27.7 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.3 | -174.1 | -62.5 | -161.1 | 152 | 0 | 0 | 112.8 | A50 T68 F69 | A50-E56 HydrophobicContact CB-CB 3.75Å; A50-E56 PolarHBondContact N-O 3.5Å; E56-T68 HydrophobicContact CB-CG2 4.21Å; E56-T68 WeakPolarHBondContact OE2-CG2 3.43Å; E56-F69 WeakPolarHBondContact CA-O 3.35Å |
| 57 | L | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.5 | -178.4 | -75.1 | 171.8 | 0 | 0 | 0 | 110 | W11 W49 T68 F69 T71 L314 | W11-L57 HydrophobicContact CB-CD1 4.25Å; W11-L57 HydrophobicContact CD2-CD1 3.44Å; W11-L57 VanDerWaalsContact CD2-CD1 3.44Å; W11-L57 HydrophobicContact CE3-CD1 3.83Å; W11-L57 HydrophobicContact CG-CD1 3.62Å; W11-L57 HydrophobicContact CZ2-CD1 4.26Å; W11-L57 HydrophobicContact CZ3-CD1 4.36Å; W49-L57 HydrophobicContact CD2-CD2 3.69Å; W49-L57 HydrophobicContact CE3-CD2 3.21Å; W49-L57 HydrophobicContact CE3-CG 3.79Å; W49-L57 HydrophobicContact CH2-CD1 4.31Å; W49-L57 HydrophobicContact CH2-CD2 3.65Å; W49-L57 HydrophobicContact CH2-CG 4.11Å; W49-L57 HydrophobicContact CZ2-CD2 4.07Å; W49-L57 HydrophobicContact CZ3-CD1 4.09Å; W49-L57 HydrophobicContact CZ3-CD2 3.21Å; W49-L57 HydrophobicContact CZ3-CG 3.46Å; W49-L57 VanDerWaalsContact CZ3-CG 3.46Å; L57-T68 CarbonylContact O-C 3.55Å; L57-T68 WeakPolarHBondContact O-CA 3.32Å; L57-F69 HydrophobicContact CB-CB 4.21Å; L57-F69 HydrophobicContact CB-CD1 4.46Å; L57-F69 HydrophobicContact CD1-CD1 4Å; L57-F69 PolarHBondContact N-O 2.89Å; L57-F69 PolarHBondContact O-N 2.97Å; L57-T71 HydrophobicContact CD1-CG2 3.65Å; L57-T71 HydrophobicContact CG-CG2 3.85Å; L57-L314 HydrophobicContact CD2-CD2 3.21Å |
| 58 | L | 91.5 | Very high | 87.9 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.8 | 173.1 | -55.9 | 175.3 | 0 | 0 | 0 | 109.6 | L47 C48 A50 V66 T68 L93 I101 | L47-L58 WeakPolarHBondContact CA-O 3.47Å; C48-L58 PolarHBondContact N-O 2.9Å; C48-L58 VanDerWaalsContact N-O 3.09Å; C48-L58 PolarHBondContact O-N 3.48Å; A50-L58 HydrophobicContact CB-CD1 4.09Å; A50-L58 HydrophobicContact CB-CD2 4.06Å; A50-L58 HydrophobicContact CB-CG 3.8Å; L58-V66 HydrophobicContact CB-CG1 4.39Å; L58-T68 HydrophobicContact CD2-CG2 4.09Å; L58-L93 HydrophobicContact CB-CD2 3.63Å; L58-L93 HydrophobicContact CB-CG 4.35Å; L58-I101 HydrophobicContact CD1-CD1 3.73Å; L58-I101 HydrophobicContact CD1-CG1 3.85Å; L58-I101 HydrophobicContact CD1-CG2 4.44Å; L58-I101 HydrophobicContact CD2-CD1 3.68Å; L58-I101 HydrophobicContact CG-CD1 4.3Å |
| 59 | L | 91.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.9 | 177 | -59 | 96.2 | 0 | 0 | 0 | 109.8 | L19 V44 L47 V66 R67 F69 F76 | L19-L59 HydrophobicContact CB-CD2 3.88Å; L19-L59 HydrophobicContact CD1-CD2 3.89Å; L19-L59 HydrophobicContact CD2-CD1 4.31Å; L19-L59 HydrophobicContact CD2-CD2 4.1Å; L19-L59 HydrophobicContact CG-CD2 4.14Å; V44-L59 HydrophobicContact CG1-CB 4.31Å; V44-L59 HydrophobicContact CG1-CD2 4.13Å; V44-L59 HydrophobicContact CG2-CD2 4.16Å; L47-L59 HydrophobicContact CD2-CB 4.18Å; L47-L59 HydrophobicContact CD2-CD2 3.83Å; L47-L59 HydrophobicContact CD2-CG 3.56Å; L59-V66 CarbonylContact O-C 3.6Å; L59-V66 VanDerWaalsContact O-CA 3.22Å; L59-V66 WeakPolarHBondContact O-CA 3.31Å; L59-R67 HydrophobicContact CB-CB 4.37Å; L59-R67 HydrophobicContact CD1-CB 4.41Å; L59-R67 VanDerWaalsContact CD1-O 3.28Å; L59-R67 WeakPolarHBondContact CD1-O 3.09Å; L59-R67 PolarHBondContact N-O 3.42Å; L59-R67 PolarHBondContact O-N 2.91Å; L59-F69 HydrophobicContact CD1-CB 3.8Å; L59-F76 HydrophobicContact CD1-CE1 3.93Å; L59-F76 HydrophobicContact CD2-CE1 4.48Å |
| 60 | G | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R45 A46 | R45-G60 PolarHBondContact N-O 3.27Å; A46-G60 PolarHBondContact N-O 2.65Å; A46-G60 PolarHBondContact O-N 2.86Å |
| 61 | C | 89.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 154.7 | 177.2 | -74.5 | 0 | 0 | 0 | 0 | 111.8 | E43 D63 G64 T65 F90 | E43-C61 CarbonylContact O-C 3.55Å; E43-C61 VanDerWaalsContact O-CA 3.29Å; E43-C61 WeakPolarHBondContact O-CA 3.44Å; C61-D63 WeakPolarHBondContact CB-OD1 3.42Å; C61-D63 PolarHBondContact O-N 3.44Å; C61-G64 PolarHBondContact O-N 2.97Å; C61-T65 PolarHBondContact N-O 3.14Å; C61-F90 WeakPolarHBondContact O-CD2 3.45Å; C61-F90 WeakPolarHBondContact O-CE2 3.3Å |
| 62 | A | 87 | Confident | 87.6 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D41 E43 G64 | D41-A62 CarbonylContact O-C 3.55Å; E43-A62 HydrophobicContact CB-CB 4.05Å; E43-A62 PolarHBondContact O-N 2.95Å; A62-G64 PolarHBondContact O-N 2.64Å |
| 63 | D | 84.4 | Confident | 87.7 | Confident | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 1.8 | 175.7 | 63.6 | 4.2 | 0 | 0 | 0 | 114.3 | D41 C61 T65 R67 | D41-D63 PolarHBondContact O-N 2.79Å; D41-D63 VanDerWaalsContact O-N 3.1Å; C61-D63 WeakPolarHBondContact CB-OD1 3.42Å; C61-D63 PolarHBondContact O-N 3.44Å; D63-T65 VanDerWaalsContact C-N 3.3Å; D63-T65 VanDerWaalsContact CG-OG1 3.28Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 3.35Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.29Å; D63-T65 PolarHBondContact OD1-N 3.48Å; D63-T65 PolarHBondContact OD1-OG1 3.1Å; D63-T65 PolarHBondContact OD2-OG1 3.45Å; D63-R67 IonicContact OD2-NH2 2.75Å |
| 64 | G | 84.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 26 Ų | 26 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 83.3 | 4.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C61 A62 C82 G83 F90 | C61-G64 PolarHBondContact O-N 2.97Å; A62-G64 PolarHBondContact O-N 2.64Å; G64-C82 PolarHBondContact O-N 2.8Å; G64-G83 PolarHBondContact O-N 2.77Å; G64-F90 WeakPolarHBondContact O-CZ 3.34Å |
| 65 | T | 88.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 28.7 Ų | 28.7 | 18% | 0.184 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.3 | 175.8 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | C61 D63 R80 | C61-T65 PolarHBondContact N-O 3.14Å; D63-T65 VanDerWaalsContact C-N 3.3Å; D63-T65 VanDerWaalsContact CG-OG1 3.28Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 3.35Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.29Å; D63-T65 PolarHBondContact OD1-N 3.48Å; D63-T65 PolarHBondContact OD1-OG1 3.1Å; D63-T65 PolarHBondContact OD2-OG1 3.45Å; T65-R80 CarbonylContact C-O 3.56Å; T65-R80 VanDerWaalsContact CA-O 3.27Å; T65-R80 WeakPolarHBondContact CA-O 3.05Å |
| 66 | V | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.3 | 168.1 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | L58 L59 R80 C82 F90 L93 I101 T103 | L58-V66 HydrophobicContact CB-CG1 4.39Å; L59-V66 CarbonylContact O-C 3.6Å; L59-V66 VanDerWaalsContact O-CA 3.22Å; L59-V66 WeakPolarHBondContact O-CA 3.31Å; V66-R80 PolarHBondContact N-O 2.88Å; V66-R80 PolarHBondContact O-N 3.29Å; V66-C82 HydrophobicContact CG2-CB 3.88Å; V66-F90 HydrophobicContact CG2-CE2 4.08Å; V66-F90 HydrophobicContact CG2-CZ 4.13Å; V66-L93 HydrophobicContact CG1-CD1 4.22Å; V66-L93 HydrophobicContact CG1-CD2 4.4Å; V66-L93 HydrophobicContact CG2-CD1 3.99Å; V66-I101 HydrophobicContact CG1-CD1 3.99Å; V66-T103 HydrophobicContact CG2-CG2 3.86Å |
| 67 | R | 90.4 | Very high | 87.7 | Confident | 56 Ų | 56 | 30.7 Ų | 30.7 | 21% | 0.211 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.9 | 177.7 | -58.7 | -178.2 | -174.6 | 177.1 | 1.8 | 110 | L59 D63 F76 E78 A79 | L59-R67 HydrophobicContact CB-CB 4.37Å; L59-R67 HydrophobicContact CD1-CB 4.41Å; L59-R67 VanDerWaalsContact CD1-O 3.28Å; L59-R67 WeakPolarHBondContact CD1-O 3.09Å; L59-R67 PolarHBondContact N-O 3.42Å; L59-R67 PolarHBondContact O-N 2.91Å; D63-R67 IonicContact OD2-NH2 2.75Å; R67-F76 HydrophobicContact CB-CD1 4.19Å; R67-F76 HydrophobicContact CB-CE1 4.47Å; R67-E78 CarbonylContact C-O 3.52Å; R67-E78 WeakPolarHBondContact CA-O 3.42Å; R67-A79 HydrophobicContact CG-CB 4.17Å |
| 68 | T | 91.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.5 | 175 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | E56 L57 L58 F76 T77 E78 | E56-T68 HydrophobicContact CB-CG2 4.21Å; E56-T68 WeakPolarHBondContact OE2-CG2 3.43Å; L57-T68 CarbonylContact O-C 3.55Å; L57-T68 WeakPolarHBondContact O-CA 3.32Å; L58-T68 HydrophobicContact CD2-CG2 4.09Å; T68-F76 CarbonylContact O-C 3.55Å; T68-F76 WeakPolarHBondContact O-CA 3.43Å; T68-T77 WeakPolarHBondContact CG2-OG1 3.34Å; T68-T77 PolarHBondContact O-N 3.43Å; T68-T77 PolarHBondContact O-OG1 2.97Å; T68-E78 PolarHBondContact N-O 3.44Å |
| 69 | F | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.9 | 179.2 | 178.1 | -89.9 | 0 | 0 | 0 | 110 | W11 L19 F32 E56 L57 L59 G74 F76 | W11-F69 AromaticContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CE1 3.58Å; W11-F69 HydrophobicContact CH2-CZ 4.23Å; W11-F69 HydrophobicContact CZ2-CE1 4.45Å; W11-F69 HydrophobicContact CZ3-CD1 4.4Å; W11-F69 AromaticContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CE1 3.65Å; W11-F69 HydrophobicContact CZ3-CZ 4.19Å; L19-F69 HydrophobicContact CD2-CB 4.06Å; L19-F69 HydrophobicContact CD2-CD1 3.74Å; L19-F69 HydrophobicContact CD2-CD2 3.92Å; L19-F69 HydrophobicContact CD2-CE1 4.12Å; L19-F69 HydrophobicContact CD2-CE2 4.29Å; L19-F69 HydrophobicContact CD2-CG 3.61Å; L19-F69 HydrophobicContact CD2-CZ 4.37Å; F32-F69 HydrophobicContact CB-CE2 3.73Å; F32-F69 HydrophobicContact CB-CZ 3.84Å; F32-F69 HydrophobicContact CD1-CE2 4.14Å; F32-F69 AromaticContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD1-CZ 3.6Å; F32-F69 HydrophobicContact CD2-CZ 4.46Å; F32-F69 HydrophobicContact CE1-CZ 4.26Å; F32-F69 HydrophobicContact CG-CE2 4.12Å; F32-F69 AromaticContact CG-CZ 3.71Å; F32-F69 HydrophobicContact CG-CZ 3.71Å; E56-F69 WeakPolarHBondContact CA-O 3.35Å; L57-F69 HydrophobicContact CB-CB 4.21Å; L57-F69 HydrophobicContact CB-CD1 4.46Å; L57-F69 HydrophobicContact CD1-CD1 4Å; L57-F69 PolarHBondContact N-O 2.89Å; L57-F69 PolarHBondContact O-N 2.97Å; L59-F69 HydrophobicContact CD1-CB 3.8Å; F69-G74 VanDerWaalsContact CE2-C 3.45Å; F69-F76 HydrophobicContact CB-CD1 3.98Å; F69-F76 HydrophobicContact CB-CE1 4.04Å; F69-F76 AromaticContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD2 4.07Å; F69-F76 AromaticContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE2 4.02Å; F69-F76 HydrophobicContact CD2-CG 4.05Å; F69-F76 AromaticContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CE2-CE2 4.4Å; F69-F76 HydrophobicContact CG-CD1 4.48Å; F69-F76 HydrophobicContact CG-CE1 4.39Å |
| 70 | S | 89.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.8 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 110 | E72 K73 G74 I75 | S70-E72 VanDerWaalsContact C-N 3.33Å; S70-K73 PolarHBondContact OG-N 3.18Å; S70-G74 VanDerWaalsContact O-CA 3.27Å; S70-G74 WeakPolarHBondContact O-CA 3.38Å; S70-G74 PolarHBondContact O-N 3.01Å; S70-I75 PolarHBondContact N-O 3.16Å |
| 71 | T | 84.8 | Confident | 86.6 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -30.4 | 177.1 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | S5 W11 W49 E54 S55 L57 | S5-T71 WeakPolarHBondContact CB-O 3.48Å; S5-T71 PolarHBondContact OG-O 3.3Å; W11-T71 HydrophobicContact CZ2-CG2 3.9Å; W49-T71 HydrophobicContact CH2-CG2 4.21Å; W49-T71 HydrophobicContact CZ3-CG2 3.74Å; E54-T71 PolarHBondContact O-OG1 3.39Å; S55-T71 PolarHBondContact O-N 2.78Å; S55-T71 PolarHBondContact O-OG1 2.63Å; L57-T71 HydrophobicContact CD1-CG2 3.65Å; L57-T71 HydrophobicContact CG-CG2 3.85Å |
| 72 | E | 83.1 | Confident | 86.1 | Confident | 112 Ų | 112 | 44.9 Ų | 44.9 | 52% | 0.523 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -50 | 178.4 | -64.5 | -171 | 166.3 | 0 | 0 | 111.7 | E2 S70 | E2-E72 WeakPolarHBondContact CG-O 3.31Å; S70-E72 VanDerWaalsContact C-N 3.33Å |
| 73 | K | 81.8 | Confident | 85.4 | Confident | 123 Ų | 123 | 44.2 Ų | 44.2 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -24.8 | -177 | -62.7 | 175.5 | -177.3 | 169.5 | 0 | 112.5 | S70 I75 | S70-K73 PolarHBondContact OG-N 3.18Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 HydrophobicContact CB-CD1 4.21Å; K73-I75 HydrophobicContact CB-CG1 3.79Å; K73-I75 HydrophobicContact CD-CD1 4.38Å |
| 74 | G | 82.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 30.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F69 S70 | F69-G74 VanDerWaalsContact CE2-C 3.45Å; S70-G74 VanDerWaalsContact O-CA 3.27Å; S70-G74 WeakPolarHBondContact O-CA 3.38Å; S70-G74 PolarHBondContact O-N 3.01Å |
| 75 | I | 86.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 46% | 0.456 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155.3 | -179.2 | 63.9 | 175.9 | 0 | 0 | 0 | 110.8 | S70 K73 T77 | S70-I75 PolarHBondContact N-O 3.16Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 HydrophobicContact CB-CD1 4.21Å; K73-I75 HydrophobicContact CB-CG1 3.79Å; K73-I75 HydrophobicContact CD-CD1 4.38Å; I75-T77 PolarHBondContact O-N 2.89Å |
| 76 | F | 86.8 | Confident | 83.7 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.1 | 167.7 | -65.7 | -84.9 | 0 | 0 | 0 | 108.9 | L19 L59 R67 T68 F69 | L19-F76 HydrophobicContact CB-CZ 4.29Å; L19-F76 HydrophobicContact CD2-CZ 4.34Å; L59-F76 HydrophobicContact CD1-CE1 3.93Å; L59-F76 HydrophobicContact CD2-CE1 4.48Å; R67-F76 HydrophobicContact CB-CD1 4.19Å; R67-F76 HydrophobicContact CB-CE1 4.47Å; T68-F76 CarbonylContact O-C 3.55Å; T68-F76 WeakPolarHBondContact O-CA 3.43Å; F69-F76 HydrophobicContact CB-CD1 3.98Å; F69-F76 HydrophobicContact CB-CE1 4.04Å; F69-F76 AromaticContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD1 3.97Å; F69-F76 HydrophobicContact CD2-CD2 4.07Å; F69-F76 AromaticContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE1 3.93Å; F69-F76 HydrophobicContact CD2-CE2 4.02Å; F69-F76 HydrophobicContact CD2-CG 4.05Å; F69-F76 AromaticContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CD2-CZ 3.95Å; F69-F76 HydrophobicContact CE2-CE2 4.4Å; F69-F76 HydrophobicContact CG-CD1 4.48Å; F69-F76 HydrophobicContact CG-CE1 4.39Å |
| 77 | T | 86.4 | Confident | 83 | Confident | 56 Ų | 56 | 60.4 Ų | 60.4 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -45.2 | -178.2 | 46.2 | 0 | 0 | 0 | 0 | 110.7 | T68 I75 | T68-T77 WeakPolarHBondContact CG2-OG1 3.34Å; T68-T77 PolarHBondContact O-N 3.43Å; T68-T77 PolarHBondContact O-OG1 2.97Å; I75-T77 PolarHBondContact O-N 2.89Å |
| 78 | E | 84.8 | Confident | 82.6 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.9 | -173.4 | -59.9 | -169.4 | 156 | 0 | 0 | 112.6 | R67 T68 | R67-E78 CarbonylContact C-O 3.52Å; R67-E78 WeakPolarHBondContact CA-O 3.42Å; T68-E78 PolarHBondContact N-O 3.44Å |
| 79 | A | 86.8 | Confident | 82.3 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 122.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R67 | R67-A79 HydrophobicContact CG-CB 4.17Å |
| 80 | R | 84.2 | Confident | 82.2 | Confident | 56 Ų | 56 | 61 Ų | 61 | 21% | 0.211 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.6 | -178.9 | -66.7 | -168.5 | -79.5 | -169.3 | -18.8 | 110.3 | T65 V66 | T65-R80 CarbonylContact C-O 3.56Å; T65-R80 VanDerWaalsContact CA-O 3.27Å; T65-R80 WeakPolarHBondContact CA-O 3.05Å; V66-R80 PolarHBondContact N-O 2.88Å; V66-R80 PolarHBondContact O-N 3.29Å |
| 81 | S | 85.6 | Confident | 82.1 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 112 | 169.8 | -167.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 82 | C | 78.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | trans | -122.9 | 17.9 | -171.9 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | G64 V66 F90 T103 W113 | G64-C82 PolarHBondContact O-N 2.8Å; V66-C82 HydrophobicContact CG2-CB 3.88Å; C82-F90 HydrophobicContact CB-CZ 4.37Å; C82-T103 HydrophobicContact CB-CG2 3.89Å; C82-T103 PolarHBondContact O-OG1 3.08Å; C82-W113 VanDerWaalsContact CA-CZ2 3.47Å; C82-W113 HydrophobicContact CB-CD2 4.17Å; C82-W113 HydrophobicContact CB-CG 4.47Å; C82-W113 HydrophobicContact CB-CZ2 4Å; C82-W113 WeakPolarHBondContact O-CZ2 3.14Å | ||
| 83 | G | 72.5 | Confident | 82.6 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -173.2 | 155.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G64 | G64-G83 PolarHBondContact O-N 2.77Š|
| 84 | D | 74.4 | Confident | 83 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | trans | -85.4 | 136.8 | 172.2 | -72 | -49.4 | 0 | 0 | 0 | 109.5 | Q86 E87 | D84-Q86 PolarHBondContact O-N 2.99Å; D84-E87 HydrophobicContact CB-CG 4.09Å; D84-E87 WeakPolarHBondContact O-CB 3.06Å; D84-E87 PolarHBondContact O-N 3.45Å | ||
| 85 | P | 72.3 | Confident | 83.3 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -57 | -22.4 | 177.2 | -26.6 | 34.2 | 0 | 0 | 0 | 114.2 | E87 | P85-E87 VanDerWaalsContact C-N 3.31Š|
| 86 | Q | 74.7 | Confident | 83.2 | Confident | 196 Ų | 196 | 47.5 Ų | 47.5 | 92% | 0.916 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -76.6 | -16 | 177.9 | -62.8 | -163.4 | -6.9 | 0 | 0 | 113.7 | D84 G88 | D84-Q86 PolarHBondContact O-N 2.99Å; Q86-G88 VanDerWaalsContact C-N 3.25Å; Q86-G88 PolarHBondContact O-N 2.77Å |
| 87 | E | 76.8 | Confident | 82.7 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -83.9 | -2.5 | -179.2 | -68.9 | 179.7 | 158.9 | 0 | 0 | 112.9 | D84 P85 A105 C107 K109 R111 | D84-E87 HydrophobicContact CB-CG 4.09Å; D84-E87 WeakPolarHBondContact O-CB 3.06Å; D84-E87 PolarHBondContact O-N 3.45Å; P85-E87 VanDerWaalsContact C-N 3.31Å; E87-A105 HydrophobicContact CB-CB 4.28Å; E87-C107 HydrophobicContact CB-CB 4.42Å; E87-C107 VanDerWaalsContact O-CB 3.28Å; E87-C107 WeakPolarHBondContact O-CB 3.43Å; E87-C107 PolarHBondContact O-N 3.43Å; E87-K109 WeakPolarHBondContact OE1-CD 2.96Å; E87-K109 WeakPolarHBondContact OE1-CE 3.3Å; E87-K109 IonicContact OE1-NZ 3.24Å; E87-K109 PolarHBondContact OE1-NZ 3.2Å; E87-R111 IonicContact OE1-CZ 3.73Å; E87-R111 IonicContact OE1-NH1 3.48Å; E87-R111 IonicContact OE1-NH2 3.2Å; E87-R111 PolarHBondContact OE1-NH2 2.84Å; E87-R111 IonicContact OE2-CZ 2.84Å; E87-R111 VanDerWaalsContact OE2-CZ 3.31Å; E87-R111 IonicContact OE2-NH1 3.6Å; E87-R111 PolarHBondContact OE2-NH1 3.14Å; E87-R111 IonicContact OE2-NH2 3.13Å; E87-R111 PolarHBondContact OE2-NH2 3.04Å |
| 88 | G | 80.9 | Confident | 82.1 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | trans | 89.6 | -173.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q86 | Q86-G88 VanDerWaalsContact C-N 3.25Å; Q86-G88 PolarHBondContact O-N 2.77Å | ||
| 89 | C | 85.6 | Confident | 81.9 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.7 | 160.7 | -177.2 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | R45 S91 E106 | R45-C89 HydrophobicContact CG-CB 4.4Å; C89-S91 PolarHBondContact O-N 2.75Å; C89-E106 WeakPolarHBondContact O-CG 3.38Å; C89-E106 PolarHBondContact O-N 2.78Å |
| 90 | F | 88.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.4 | 170.1 | -68.2 | -56 | 0 | 0 | 0 | 111.6 | R45 C61 G64 V66 C82 T103 C104 | R45-F90 WeakPolarHBondContact CG-O 3.26Å; C61-F90 WeakPolarHBondContact O-CD2 3.45Å; C61-F90 WeakPolarHBondContact O-CE2 3.3Å; G64-F90 WeakPolarHBondContact O-CZ 3.34Å; V66-F90 HydrophobicContact CG2-CE2 4.08Å; V66-F90 HydrophobicContact CG2-CZ 4.13Å; C82-F90 HydrophobicContact CB-CZ 4.37Å; F90-T103 HydrophobicContact CE1-CG2 4.07Å; F90-T103 HydrophobicContact CZ-CG2 4.42Å; F90-C104 CarbonylContact C-O 3.57Å; F90-C104 WeakPolarHBondContact CA-O 3.45Å |
| 91 | S | 86.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -14 | 174.7 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | C89 C104 V130 R132 M133 | C89-S91 PolarHBondContact O-N 2.75Å; S91-C104 PolarHBondContact N-O 2.8Å; S91-C104 PolarHBondContact OG-O 3.32Å; S91-C104 PolarHBondContact OG-SG 3.38Å; S91-C104 VanDerWaalsContact OG-SG 3.33Å; S91-V130 WeakPolarHBondContact CB-O 3.46Å; S91-R132 WeakPolarHBondContact O-CA 3.28Å; S91-M133 PolarHBondContact O-N 3.13Å; S91-M133 VanDerWaalsContact O-N 3.17Å |
| 92 | G | 87.3 | Confident | 82.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 159.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | C104 | G92-C104 PolarHBondContact N-O 2.96Å; G92-C104 PolarHBondContact O-N 3.21Å; G92-C104 VanDerWaalsContact O-N 3.13Å |
| 93 | L | 91.7 | Very high | 83.1 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 135.5 | -179.9 | -175.4 | 68.3 | 0 | 0 | 0 | 108.5 | A46 C48 L58 V66 I101 I102 T103 | A46-L93 HydrophobicContact CB-CB 3.67Å; C48-L93 HydrophobicContact CB-CD2 4.48Å; C48-L93 HydrophobicContact CB-CG 4.37Å; L58-L93 HydrophobicContact CB-CD2 3.63Å; L58-L93 HydrophobicContact CB-CG 4.35Å; V66-L93 HydrophobicContact CG1-CD1 4.22Å; V66-L93 HydrophobicContact CG1-CD2 4.4Å; V66-L93 HydrophobicContact CG2-CD1 3.99Å; L93-I101 HydrophobicContact CD1-CG2 3.49Å; L93-I101 VanDerWaalsContact CD1-CG2 3.49Å; L93-I102 WeakPolarHBondContact CA-O 3.46Å; L93-T103 HydrophobicContact CD1-CG2 3.85Å |
| 94 | A | 90.5 | Very high | 84.1 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I102 M133 Q135 | A94-I102 HydrophobicContact CB-CB 4.31Å; A94-I102 HydrophobicContact CB-CD1 4.22Å; A94-I102 PolarHBondContact N-O 2.85Å; A94-I102 PolarHBondContact O-N 2.98Å; A94-M133 HydrophobicContact CB-CE 3.75Å; A94-Q135 HydrophobicContact CB-CB 3.79Å; A94-Q135 HydrophobicContact CB-CG 4.42Å |
| 95 | S | 88.6 | Confident | 84.9 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.1 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | A50 G98 A100 Q135 | A50-S95 WeakPolarHBondContact O-CB 3.34Å; A50-S95 PolarHBondContact O-OG 2.94Å; S95-G98 PolarHBondContact OG-N 2.87Å; S95-A100 CarbonylContact C-O 3.55Å; S95-A100 WeakPolarHBondContact CA-O 3.22Å; S95-Q135 PolarHBondContact O-NE2 3.05Å; S95-Q135 PolarHBondContact O-OE1 2.8Å; S95-Q135 VanDerWaalsContact O-OE1 3.05Å |
| 96 | L | 84 | Confident | 85.7 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 100.9 | 175.8 | -178.1 | 68.7 | 0 | 0 | 0 | 108.7 | G98 S99 A100 I102 V112 P140 L157 | L96-G98 PolarHBondContact O-N 3.24Å; L96-G98 VanDerWaalsContact O-N 3.12Å; L96-S99 PolarHBondContact O-N 3.31Å; L96-A100 HydrophobicContact CB-CB 4Å; L96-A100 HydrophobicContact CD2-CB 4.29Å; L96-A100 PolarHBondContact N-O 2.84Å; L96-A100 PolarHBondContact O-N 3.24Å; L96-I102 HydrophobicContact CB-CD1 4.01Å; L96-I102 HydrophobicContact CB-CG1 4.29Å; L96-V112 HydrophobicContact CD2-CG1 4.3Å; L96-P140 HydrophobicContact CD1-CB 3.94Å; L96-P140 WeakPolarHBondContact CD1-O 3.05Å; L96-L157 HydrophobicContact CD1-CD1 4.29Å; L96-L157 HydrophobicContact CD2-CD1 4.3Å |
| 97 | R | 76.8 | Confident | 86.4 | Confident | 177 Ų | 177 | 27.7 Ų | 27.7 | 67% | 0.668 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 33.6 | 176.8 | -55.6 | -173.5 | -179.2 | 168.6 | 3.9 | 113.6 | S99 P140 | R97-S99 PolarHBondContact O-N 3.02Å; R97-S99 VanDerWaalsContact O-N 3.07Å; R97-P140 HydrophobicContact CG-CB 4.37Å |
| 98 | G | 73.8 | Confident | 86.9 | Confident | 33 Ų | 33 | 26.6 Ų | 26.6 | 34% | 0.34 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -5.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S95 L96 | S95-G98 PolarHBondContact OG-N 2.87Å; L96-G98 PolarHBondContact O-N 3.24Å; L96-G98 VanDerWaalsContact O-N 3.12Å |
| 99 | S | 80.1 | Confident | 87.4 | Confident | 69 Ų | 69 | 28.6 Ų | 28.6 | 48% | 0.483 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -10.9 | -175.1 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | L96 R97 E115 | L96-S99 PolarHBondContact O-N 3.31Å; R97-S99 PolarHBondContact O-N 3.02Å; R97-S99 VanDerWaalsContact O-N 3.07Å; S99-E115 PolarHBondContact O-N 3Å |
| 100 | A | 87.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S95 L96 V112 W113 R114 | S95-A100 CarbonylContact C-O 3.55Å; S95-A100 WeakPolarHBondContact CA-O 3.22Å; L96-A100 HydrophobicContact CB-CB 4Å; L96-A100 HydrophobicContact CD2-CB 4.29Å; L96-A100 PolarHBondContact N-O 2.84Å; L96-A100 PolarHBondContact O-N 3.24Å; A100-V112 HydrophobicContact CB-CG1 4.2Å; A100-W113 CarbonylContact C-O 3.59Å; A100-W113 WeakPolarHBondContact CA-O 3.17Å; A100-W113 WeakPolarHBondContact CB-O 3.16Å; A100-R114 HydrophobicContact CB-CG 4.1Å |
| 101 | I | 90.3 | Very high | 87.7 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.2 | 175.7 | -60.2 | -173.1 | 0 | 0 | 0 | 108.8 | L58 V66 L93 T103 V112 W113 | L58-I101 HydrophobicContact CD1-CD1 3.73Å; L58-I101 HydrophobicContact CD1-CG1 3.85Å; L58-I101 HydrophobicContact CD1-CG2 4.44Å; L58-I101 HydrophobicContact CD2-CD1 3.68Å; L58-I101 HydrophobicContact CG-CD1 4.3Å; V66-I101 HydrophobicContact CG1-CD1 3.99Å; L93-I101 HydrophobicContact CD1-CG2 3.49Å; L93-I101 VanDerWaalsContact CD1-CG2 3.49Å; I101-T103 HydrophobicContact CG2-CG2 3.94Å; I101-V112 CarbonylContact O-C 3.57Å; I101-V112 WeakPolarHBondContact O-CA 3.41Å; I101-W113 HydrophobicContact CB-CB 4.49Å; I101-W113 PolarHBondContact N-O 2.8Å; I101-W113 PolarHBondContact O-N 3.18Å |
| 102 | I | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.5 | 171.1 | -56.7 | 153.4 | 0 | 0 | 0 | 107.6 | L93 A94 L96 L110 R111 V112 M133 V143 L157 | L93-I102 WeakPolarHBondContact CA-O 3.46Å; A94-I102 HydrophobicContact CB-CB 4.31Å; A94-I102 HydrophobicContact CB-CD1 4.22Å; A94-I102 PolarHBondContact N-O 2.85Å; A94-I102 PolarHBondContact O-N 2.98Å; L96-I102 HydrophobicContact CB-CD1 4.01Å; L96-I102 HydrophobicContact CB-CG1 4.29Å; I102-L110 HydrophobicContact CG2-CD1 4.36Å; I102-L110 HydrophobicContact CG2-CD2 3.76Å; I102-L110 HydrophobicContact CG2-CG 4.02Å; I102-R111 WeakPolarHBondContact CA-O 3.44Å; I102-V112 HydrophobicContact CG1-CG2 4.37Å; I102-M133 HydrophobicContact CG2-CE 4.14Å; I102-V143 HydrophobicContact CD1-CG2 4.13Å; I102-L157 HydrophobicContact CD1-CD1 3.43Å; I102-L157 VanDerWaalsContact CD1-CD1 3.43Å; I102-L157 HydrophobicContact CG1-CD1 3.92Å |
| 103 | T | 91.8 | Very high | 88 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.5 | 172.1 | 64.6 | 0 | 0 | 0 | 0 | 110 | V66 C82 F90 L93 I101 L110 R111 W113 | V66-T103 HydrophobicContact CG2-CG2 3.86Å; C82-T103 HydrophobicContact CB-CG2 3.89Å; C82-T103 PolarHBondContact O-OG1 3.08Å; F90-T103 HydrophobicContact CE1-CG2 4.07Å; F90-T103 HydrophobicContact CZ-CG2 4.42Å; L93-T103 HydrophobicContact CD1-CG2 3.85Å; I101-T103 HydrophobicContact CG2-CG2 3.94Å; T103-L110 CarbonylContact O-C 3.51Å; T103-L110 VanDerWaalsContact O-CA 3.32Å; T103-L110 WeakPolarHBondContact O-CA 3.36Å; T103-R111 PolarHBondContact N-O 3.23Å; T103-R111 PolarHBondContact O-N 2.79Å; T103-W113 PolarHBondContact OG1-NE1 3.09Å |
| 104 | C | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.6 | 171.6 | -172 | 0 | 0 | 0 | 0 | 109.4 | F90 S91 G92 L110 M133 | F90-C104 CarbonylContact C-O 3.57Å; F90-C104 WeakPolarHBondContact CA-O 3.45Å; S91-C104 PolarHBondContact N-O 2.8Å; S91-C104 PolarHBondContact OG-O 3.32Å; S91-C104 PolarHBondContact OG-SG 3.38Å; S91-C104 VanDerWaalsContact OG-SG 3.33Å; G92-C104 PolarHBondContact N-O 2.96Å; G92-C104 PolarHBondContact O-N 3.21Å; G92-C104 VanDerWaalsContact O-N 3.13Å; C104-L110 HydrophobicContact CB-CD1 4.48Å; C104-L110 HydrophobicContact CB-CG 4.45Å; C104-M133 HydrophobicContact CB-CB 3.58Å; C104-M133 HydrophobicContact CB-CG 3.86Å; C104-M133 HydrophobicContact CB-SD 4.47Å |
| 105 | A | 91.8 | Very high | 86.7 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 159.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E87 C107 G108 K109 | E87-A105 HydrophobicContact CB-CB 4.28Å; A105-C107 PolarHBondContact O-N 3.49Å; A105-G108 PolarHBondContact O-N 2.64Å; A105-G108 VanDerWaalsContact O-N 3.07Å; A105-K109 PolarHBondContact N-O 2.92Å |
| 106 | E | 90.3 | Very high | 85.7 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.9 | 175.9 | -79.7 | 173.2 | 176.6 | 0 | 0 | 113.1 | C89 G108 S129 V130 | C89-E106 WeakPolarHBondContact O-CG 3.38Å; C89-E106 PolarHBondContact O-N 2.78Å; E106-G108 PolarHBondContact O-N 2.77Å; E106-S129 CarbonylContact O-C 3.52Å; E106-S129 WeakPolarHBondContact O-CA 3.32Å; E106-S129 PolarHBondContact O-N 2.75Å; E106-V130 PolarHBondContact O-N 2.87Å |
| 107 | C | 89.1 | Confident | 84.6 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 34% | 0.338 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | 174.5 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | E87 A105 | E87-C107 HydrophobicContact CB-CB 4.42Å; E87-C107 VanDerWaalsContact O-CB 3.28Å; E87-C107 WeakPolarHBondContact O-CB 3.43Å; E87-C107 PolarHBondContact O-N 3.43Å; A105-C107 PolarHBondContact O-N 3.49Å |
| 108 | G | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 104.4 | -8.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A105 E106 L110 A126 G127 | A105-G108 PolarHBondContact O-N 2.64Å; A105-G108 VanDerWaalsContact O-N 3.07Å; E106-G108 PolarHBondContact O-N 2.77Å; G108-L110 PolarHBondContact O-N 2.92Å; G108-A126 WeakPolarHBondContact O-CB 3.05Å; G108-A126 PolarHBondContact O-N 3.1Å; G108-G127 WeakPolarHBondContact CA-O 3.29Å |
| 109 | K | 90.5 | Very high | 83.9 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121 | 176 | -67.5 | -178.1 | 179.5 | -174.7 | 0 | 110.4 | E87 A105 E123 | E87-K109 WeakPolarHBondContact OE1-CD 2.96Å; E87-K109 WeakPolarHBondContact OE1-CE 3.3Å; E87-K109 IonicContact OE1-NZ 3.24Å; E87-K109 PolarHBondContact OE1-NZ 3.2Å; A105-K109 PolarHBondContact N-O 2.92Å; K109-E123 WeakPolarHBondContact CD-OE1 3.06Å; K109-E123 IonicContact NZ-OE1 2.7Å |
| 110 | L | 90.4 | Very high | 84 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.1 | 172.6 | -173.5 | 154.1 | 0 | 0 | 0 | 108 | I102 T103 C104 G108 V112 E123 L124 M133 V143 T145 L157 | I102-L110 HydrophobicContact CG2-CD1 4.36Å; I102-L110 HydrophobicContact CG2-CD2 3.76Å; I102-L110 HydrophobicContact CG2-CG 4.02Å; T103-L110 CarbonylContact O-C 3.51Å; T103-L110 VanDerWaalsContact O-CA 3.32Å; T103-L110 WeakPolarHBondContact O-CA 3.36Å; C104-L110 HydrophobicContact CB-CD1 4.48Å; C104-L110 HydrophobicContact CB-CG 4.45Å; G108-L110 PolarHBondContact O-N 2.92Å; L110-V112 HydrophobicContact CD2-CG2 4.49Å; L110-E123 CarbonylContact O-C 3.47Å; L110-E123 WeakPolarHBondContact O-CA 3.48Å; L110-L124 HydrophobicContact CB-CB 4.3Å; L110-L124 HydrophobicContact CD2-CD1 3.83Å; L110-L124 PolarHBondContact N-O 2.89Å; L110-L124 PolarHBondContact O-N 3.09Å; L110-M133 HydrophobicContact CD1-CG 4.18Å; L110-V143 HydrophobicContact CD1-CB 4.44Å; L110-V143 HydrophobicContact CD1-CG1 3.67Å; L110-T145 HydrophobicContact CD1-CG2 3.96Å; L110-L157 HydrophobicContact CD2-CD2 3.81Å |
| 111 | R | 90.8 | Very high | 83.8 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.8 | -175.6 | -71.2 | -179.1 | 178.4 | 133.3 | 6.2 | 110.9 | E87 I102 T103 W113 P120 A122 E123 | E87-R111 IonicContact OE1-CZ 3.73Å; E87-R111 IonicContact OE1-NH1 3.48Å; E87-R111 IonicContact OE1-NH2 3.2Å; E87-R111 PolarHBondContact OE1-NH2 2.84Å; E87-R111 IonicContact OE2-CZ 2.84Å; E87-R111 VanDerWaalsContact OE2-CZ 3.31Å; E87-R111 IonicContact OE2-NH1 3.6Å; E87-R111 PolarHBondContact OE2-NH1 3.14Å; E87-R111 IonicContact OE2-NH2 3.13Å; E87-R111 PolarHBondContact OE2-NH2 3.04Å; I102-R111 WeakPolarHBondContact CA-O 3.44Å; T103-R111 PolarHBondContact N-O 3.23Å; T103-R111 PolarHBondContact O-N 2.79Å; R111-W113 HydrophobicContact CB-CZ2 4.06Å; R111-W113 VanDerWaalsContact CD-CZ2 3.42Å; R111-W113 HydrophobicContact CG-CZ2 4.4Å; R111-P120 HydrophobicContact CB-CB 4.04Å; R111-P120 HydrophobicContact CG-CB 4.09Å; R111-A122 WeakPolarHBondContact CA-O 3.5Å; R111-E123 HydrophobicContact CG-CB 4.37Å; R111-E123 HydrophobicContact CG-CG 4.11Å; R111-E123 IonicContact CZ-OE2 2.71Å; R111-E123 IonicContact NE-OE2 3.38Å; R111-E123 PolarHBondContact NE-OE2 3.34Å; R111-E123 IonicContact NH2-OE2 3.63Å; R111-E123 PolarHBondContact NH2-OE2 2.83Å |
| 112 | V | 90.8 | Very high | 83.6 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | 173.4 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | L96 A100 I101 I102 L110 P120 V121 A122 L157 | L96-V112 HydrophobicContact CD2-CG1 4.3Å; A100-V112 HydrophobicContact CB-CG1 4.2Å; I101-V112 CarbonylContact O-C 3.57Å; I101-V112 WeakPolarHBondContact O-CA 3.41Å; I102-V112 HydrophobicContact CG1-CG2 4.37Å; L110-V112 HydrophobicContact CD2-CG2 4.49Å; V112-P120 CarbonylContact O-C 3.51Å; V112-P120 WeakPolarHBondContact O-CA 3.43Å; V112-V121 PolarHBondContact O-N 2.83Å; V112-A122 HydrophobicContact CB-CB 4.19Å; V112-A122 HydrophobicContact CG2-CB 4.17Å; V112-A122 PolarHBondContact N-O 3.16Å; V112-L157 HydrophobicContact CG2-CD1 4.46Å; V112-L157 HydrophobicContact CG2-CD2 3.88Å |
| 113 | W | 88.6 | Confident | 83.4 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.2 | -177.3 | -55.7 | 86.7 | 0 | 0 | 0 | 108.8 | C82 A100 I101 T103 R111 P120 | C82-W113 VanDerWaalsContact CA-CZ2 3.47Å; C82-W113 HydrophobicContact CB-CD2 4.17Å; C82-W113 HydrophobicContact CB-CG 4.47Å; C82-W113 HydrophobicContact CB-CZ2 4Å; C82-W113 WeakPolarHBondContact O-CZ2 3.14Å; A100-W113 CarbonylContact C-O 3.59Å; A100-W113 WeakPolarHBondContact CA-O 3.17Å; A100-W113 WeakPolarHBondContact CB-O 3.16Å; I101-W113 HydrophobicContact CB-CB 4.49Å; I101-W113 PolarHBondContact N-O 2.8Å; I101-W113 PolarHBondContact O-N 3.18Å; T103-W113 PolarHBondContact OG1-NE1 3.09Å; R111-W113 HydrophobicContact CB-CZ2 4.06Å; R111-W113 VanDerWaalsContact CD-CZ2 3.42Å; R111-W113 HydrophobicContact CG-CZ2 4.4Å; W113-P120 HydrophobicContact CD2-CB 4.36Å; W113-P120 HydrophobicContact CE3-CB 4.35Å; W113-P120 HydrophobicContact CH2-CB 4.22Å; W113-P120 HydrophobicContact CH2-CG 4.25Å; W113-P120 HydrophobicContact CZ2-CB 4.21Å; W113-P120 HydrophobicContact CZ3-CB 4.29Å; W113-P120 HydrophobicContact CZ3-CG 4.46Å |
| 114 | R | 85.4 | Confident | 83.3 | Confident | 145 Ų | 145 | 54.4 Ų | 54.4 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 158.4 | 168.5 | -78 | -175.6 | -160.1 | 150.7 | 4 | 110.2 | A100 D116 V121 | A100-R114 HydrophobicContact CB-CG 4.1Å; R114-D116 VanDerWaalsContact C-N 3.27Å; R114-D116 PolarHBondContact O-N 2.82Å; R114-V121 HydrophobicContact CB-CG2 3.92Å; R114-V121 HydrophobicContact CG-CG2 3.79Å |
| 115 | E | 70.3 | Confident | 83.2 | Confident | 114 Ų | 114 | 59.8 Ų | 59.8 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.8 | 178.6 | -140.1 | 171 | 170.9 | 0 | 0 | 113.3 | S99 G117 | S99-E115 PolarHBondContact O-N 3Å; E115-G117 PolarHBondContact O-N 2.81Å |
| 116 | D | 66.8 | Low | 82.9 | Confident | 164 Ų | 164 | 59.5 Ų | 59.5 | 88% | 0.877 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.5 | -170.5 | -53 | -41.7 | 0 | 0 | 0 | 115.4 | R114 | R114-D116 VanDerWaalsContact C-N 3.27Å; R114-D116 PolarHBondContact O-N 2.82Å |
| 117 | G | 60.8 | Low | 82.7 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | trans | -118.5 | 137.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114 | E115 G119 | E115-G117 PolarHBondContact O-N 2.81Å; G117-G119 PolarHBondContact O-N 2.84Å | ||
| 118 | S | 62.7 | Low | 82.6 | Confident | 136 Ų | 136 | 58.6 Ų | 58.6 | 95% | 0.951 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -74.3 | -5.6 | 172.3 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 119 | G | 74.4 | Confident | 82.7 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -137.6 | 165.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G117 | G117-G119 PolarHBondContact O-N 2.84Š|
| 120 | P | 80.6 | Confident | 82.8 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 132.8 | 178 | 29.6 | -33.4 | 0 | 0 | 0 | 110.2 | R111 V112 W113 | R111-P120 HydrophobicContact CB-CB 4.04Å; R111-P120 HydrophobicContact CG-CB 4.09Å; V112-P120 CarbonylContact O-C 3.51Å; V112-P120 WeakPolarHBondContact O-CA 3.43Å; W113-P120 HydrophobicContact CD2-CB 4.36Å; W113-P120 HydrophobicContact CE3-CB 4.35Å; W113-P120 HydrophobicContact CH2-CB 4.22Å; W113-P120 HydrophobicContact CH2-CG 4.25Å; W113-P120 HydrophobicContact CZ2-CB 4.21Å; W113-P120 HydrophobicContact CZ3-CB 4.29Å; W113-P120 HydrophobicContact CZ3-CG 4.46Å |
| 121 | V | 84.7 | Confident | 82.9 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -31.5 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | V112 R114 | V112-V121 PolarHBondContact O-N 2.83Å; R114-V121 HydrophobicContact CB-CG2 3.92Å; R114-V121 HydrophobicContact CG-CG2 3.79Å |
| 122 | A | 84.5 | Confident | 83 | Confident | 26 Ų | 26 | 61 Ų | 61 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R111 V112 L124 | R111-A122 WeakPolarHBondContact CA-O 3.5Å; V112-A122 HydrophobicContact CB-CB 4.19Å; V112-A122 HydrophobicContact CG2-CB 4.17Å; V112-A122 PolarHBondContact N-O 3.16Å; A122-L124 HydrophobicContact CB-CD1 4.27Å |
| 123 | E | 88.4 | Confident | 83.2 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.7 | 170.9 | -175.5 | 165.9 | 138.3 | 0 | 0 | 108.4 | K109 L110 R111 | K109-E123 WeakPolarHBondContact CD-OE1 3.06Å; K109-E123 IonicContact NZ-OE1 2.7Å; L110-E123 CarbonylContact O-C 3.47Å; L110-E123 WeakPolarHBondContact O-CA 3.48Å; R111-E123 HydrophobicContact CG-CB 4.37Å; R111-E123 HydrophobicContact CG-CG 4.11Å; R111-E123 IonicContact CZ-OE2 2.71Å; R111-E123 IonicContact NE-OE2 3.38Å; R111-E123 PolarHBondContact NE-OE2 3.34Å; R111-E123 IonicContact NH2-OE2 3.63Å; R111-E123 PolarHBondContact NH2-OE2 2.83Å |
| 124 | L | 89.6 | Confident | 83.4 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.3 | 179 | -62.6 | 89.6 | 0 | 0 | 0 | 109.1 | L110 A122 W155 L157 P160 | L110-L124 HydrophobicContact CB-CB 4.3Å; L110-L124 HydrophobicContact CD2-CD1 3.83Å; L110-L124 PolarHBondContact N-O 2.89Å; L110-L124 PolarHBondContact O-N 3.09Å; A122-L124 HydrophobicContact CB-CD1 4.27Å; L124-W155 HydrophobicContact CD2-CB 4.42Å; L124-W155 HydrophobicContact CD2-CD2 4.39Å; L124-W155 HydrophobicContact CD2-CE3 3.9Å; L124-L157 HydrophobicContact CD1-CD2 4.21Å; L124-P160 HydrophobicContact CD1-CB 4.03Å; L124-P160 HydrophobicContact CD2-CB 3.49Å; L124-P160 VanDerWaalsContact CD2-CB 3.49Å; L124-P160 HydrophobicContact CG-CB 3.56Å |
| 125 | D | 90.1 | Very high | 83.7 | Confident | 112 Ų | 112 | 58.5 Ų | 58.5 | 60% | 0.599 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 104.2 | 174.5 | -172.5 | -3.8 | 0 | 0 | 0 | 110.6 | G127 W155 | D125-G127 PolarHBondContact O-N 3.09Å; D125-G127 WeakPolarHBondContact OD1-CA 3.4Å; D125-G127 PolarHBondContact OD1-N 2.86Å; D125-W155 WeakPolarHBondContact O-CH2 3.01Å; D125-W155 WeakPolarHBondContact O-CZ2 3.19Å |
| 126 | A | 85.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | trans | -78.3 | -3.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G108 V130 T145 N150 K153 W155 | G108-A126 WeakPolarHBondContact O-CB 3.05Å; G108-A126 PolarHBondContact O-N 3.1Å; A126-V130 HydrophobicContact CB-CG2 4.04Å; A126-T145 HydrophobicContact CB-CG2 3.89Å; A126-N150 PolarHBondContact O-ND2 3.19Å; A126-K153 PolarHBondContact O-NZ 3.43Å; A126-W155 HydrophobicContact CB-CZ2 4.39Å | ||
| 127 | G | 85.2 | Confident | 85.5 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | trans | 88.1 | 165.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G108 D125 V130 N150 | G108-G127 WeakPolarHBondContact CA-O 3.29Å; D125-G127 PolarHBondContact O-N 3.09Å; D125-G127 WeakPolarHBondContact OD1-CA 3.4Å; D125-G127 PolarHBondContact OD1-N 2.86Å; G127-V130 WeakPolarHBondContact O-CG2 3.1Å; G127-N150 PolarHBondContact O-ND2 2.83Å | ||
| 128 | S | 86.1 | Confident | 86.6 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -67.3 | 157.5 | -170.7 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | V130 N150 | S128-V130 PolarHBondContact O-N 2.64Å; S128-N150 PolarHBondContact O-ND2 3.43Å |
| 129 | S | 89.8 | Confident | 87.8 | Confident | 63 Ų | 63 | 49 Ų | 49 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | trans | 58.6 | 43.3 | 171.2 | -55.7 | 0 | 0 | 0 | 0 | 115.1 | E106 C131 G147 K148 | E106-S129 CarbonylContact O-C 3.52Å; E106-S129 WeakPolarHBondContact O-CA 3.32Å; E106-S129 PolarHBondContact O-N 2.75Å; S129-C131 PolarHBondContact O-N 3.4Å; S129-G147 WeakPolarHBondContact O-CA 3.29Å; S129-K148 PolarHBondContact O-N 3.46Å; S129-K148 VanDerWaalsContact O-N 3.09Å | ||
| 130 | V | 92.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 122.3 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | S91 E106 A126 G127 S128 | S91-V130 WeakPolarHBondContact CB-O 3.46Å; E106-V130 PolarHBondContact O-N 2.87Å; A126-V130 HydrophobicContact CB-CG2 4.04Å; G127-V130 WeakPolarHBondContact O-CG2 3.1Å; S128-V130 PolarHBondContact O-N 2.64Å |
| 131 | C | 92.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -31.1 | 178.8 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | S129 G146 W182 V183 | S129-C131 PolarHBondContact O-N 3.4Å; C131-G146 PolarHBondContact N-O 2.89Å; C131-W182 PolarHBondContact SG-NE1 3.23Å; C131-V183 VanDerWaalsContact CB-O 3.28Å; C131-V183 WeakPolarHBondContact CB-O 3.39Å |
| 132 | R | 93.4 | Very high | 89 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 141.1 | -178.9 | -157.6 | 78.1 | -179.3 | 173.9 | 1.9 | 112.3 | S91 R134 G146 D185 | S91-R132 WeakPolarHBondContact O-CA 3.28Å; R132-R134 HydrophobicContact CG-CG 4.34Å; R132-G146 PolarHBondContact N-O 3.48Å; R132-G146 PolarHBondContact O-N 3.36Å; R132-D185 WeakPolarHBondContact CG-OD1 3.07Å; R132-D185 IonicContact NE-OD1 2.8Å; R132-D185 PolarHBondContact NE-OD1 2.79Å |
| 133 | M | 94.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.3 | 164.3 | 167.7 | -85.8 | 155.8 | 0 | 0 | 110.3 | S91 A94 I102 C104 L110 Q135 V143 A144 T145 | S91-M133 PolarHBondContact O-N 3.13Å; S91-M133 VanDerWaalsContact O-N 3.17Å; A94-M133 HydrophobicContact CB-CE 3.75Å; I102-M133 HydrophobicContact CG2-CE 4.14Å; C104-M133 HydrophobicContact CB-CB 3.58Å; C104-M133 HydrophobicContact CB-CG 3.86Å; C104-M133 HydrophobicContact CB-SD 4.47Å; L110-M133 HydrophobicContact CD1-CG 4.18Å; M133-Q135 HydrophobicContact CE-CB 4.06Å; M133-V143 HydrophobicContact CE-CB 4.17Å; M133-V143 HydrophobicContact CE-CG1 3.32Å; M133-V143 HydrophobicContact CE-CG2 3.79Å; M133-V143 HydrophobicContact CG-CG1 3.42Å; M133-V143 VanDerWaalsContact CG-CG1 3.42Å; M133-V143 HydrophobicContact SD-CG1 4.18Å; M133-A144 CarbonylContact C-O 3.56Å; M133-A144 VanDerWaalsContact CA-O 3.29Å; M133-A144 WeakPolarHBondContact CA-O 3.48Å; M133-T145 HydrophobicContact CB-CG2 4.24Å; M133-T145 HydrophobicContact CG-CG2 4.23Å |
| 134 | R | 93.5 | Very high | 89.7 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.5 | 176.7 | -66.8 | -76.5 | -167.1 | 170.7 | 4.3 | 109.8 | R132 A144 D185 I186 F188 | R132-R134 HydrophobicContact CG-CG 4.34Å; R134-A144 PolarHBondContact N-O 3.09Å; R134-A144 PolarHBondContact O-N 2.72Å; R134-D185 IonicContact CZ-OD1 3.36Å; R134-D185 IonicContact NE-OD1 3.15Å; R134-D185 PolarHBondContact NE-OD1 3.32Å; R134-D185 VanDerWaalsContact NE-OD1 3.16Å; R134-D185 IonicContact NH2-OD1 2.75Å; R134-D185 PolarHBondContact NH2-OD1 3.33Å; R134-D185 VanDerWaalsContact NH2-OD1 3.13Å; R134-D185 IonicContact NH2-OD2 2.68Å; R134-D185 PolarHBondContact NH2-OD2 3.47Å; R134-I186 HydrophobicContact CG-CB 4.12Å; R134-I186 WeakPolarHBondContact CG-O 3.27Å; R134-I186 PolarHBondContact NE-O 2.57Å; R134-F188 HydrophobicContact CB-CD2 4.47Å; R134-F188 HydrophobicContact CB-CE2 4.26Å; R134-F188 WeakPolarHBondContact O-CE2 3.1Å |
| 135 | Q | 92.4 | Very high | 90 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 149.8 | 172.5 | -170.5 | -176.6 | 30.1 | 0 | 0 | 109.7 | A94 S95 M133 P140 F188 | A94-Q135 HydrophobicContact CB-CB 3.79Å; A94-Q135 HydrophobicContact CB-CG 4.42Å; S95-Q135 PolarHBondContact O-NE2 3.05Å; S95-Q135 PolarHBondContact O-OE1 2.8Å; S95-Q135 VanDerWaalsContact O-OE1 3.05Å; M133-Q135 HydrophobicContact CE-CB 4.06Å; Q135-P140 PolarHBondContact NE2-O 3.27Å; Q135-F188 WeakPolarHBondContact O-CD2 3.32Å |
| 136 | S | 90 | Very high | 90.1 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | trans | -70.1 | 131.7 | 171.2 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | V138 D139 R142 | S136-V138 PolarHBondContact O-N 3Å; S136-V138 PolarHBondContact OG-N 3.14Å; S136-D139 WeakPolarHBondContact CB-O 3.19Å; S136-D139 PolarHBondContact OG-N 3.22Å; S136-R142 PolarHBondContact N-O 2.77Å | ||
| 137 | P | 84.5 | Confident | 90.5 | Very high | 93 Ų | 93 | 36.7 Ų | 36.7 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -71.7 | -21.1 | 175.1 | 29.7 | -33.8 | 0 | 0 | 0 | 112.5 | F188 | P137-F188 VanDerWaalsContact CD-CB 3.44Å; P137-F188 HydrophobicContact CG-CB 4.2Å |
| 138 | V | 84.6 | Confident | 90.8 | Very high | 90 Ų | 90 | 41 Ų | 41 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -88 | -43.5 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | S136 | S136-V138 PolarHBondContact O-N 3Å; S136-V138 PolarHBondContact OG-N 3.14Å |
| 139 | D | 86.6 | Confident | 91 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | trans | -121.1 | 101 | -176.8 | -70.9 | -33.3 | 0 | 0 | 0 | 110.4 | S136 N141 R142 | S136-D139 WeakPolarHBondContact CB-O 3.19Å; S136-D139 PolarHBondContact OG-N 3.22Å; D139-N141 PolarHBondContact O-N 3.16Å; D139-R142 HydrophobicContact CB-CB 4.13Å; D139-R142 HydrophobicContact CB-CG 3.91Å; D139-R142 PolarHBondContact O-N 3.35Å; D139-R142 IonicContact OD2-CZ 3.77Å; D139-R142 IonicContact OD2-NE 3.53Å; D139-R142 PolarHBondContact OD2-NE 3.18Å; D139-R142 IonicContact OD2-NH2 3.83Å | ||
| 140 | P | 85.9 | Confident | 90.9 | Very high | 46 Ų | 46 | 38 Ų | 38 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.7 | -177.8 | -26.5 | 34.7 | 0 | 0 | 0 | 114.2 | L96 R97 Q135 R142 | L96-P140 HydrophobicContact CD1-CB 3.94Å; L96-P140 WeakPolarHBondContact CD1-O 3.05Å; R97-P140 HydrophobicContact CG-CB 4.37Å; Q135-P140 PolarHBondContact NE2-O 3.27Å; P140-R142 VanDerWaalsContact C-N 3.31Å |
| 141 | N | 88.3 | Confident | 90.8 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.7 | 179 | -64 | -19.3 | 0 | 0 | 0 | 113.1 | D139 L157 E158 | D139-N141 PolarHBondContact O-N 3.16Å; N141-L157 WeakPolarHBondContact O-CB 3.19Å; N141-L157 VanDerWaalsContact O-CG 3.26Å; N141-L157 WeakPolarHBondContact O-CG 3.2Å; N141-L157 PolarHBondContact O-N 2.61Å; N141-E158 HydrophobicContact CB-CG 4.47Å; N141-E158 PolarHBondContact ND2-OE1 3.29Å |
| 142 | R | 91.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 37.4 Ų | 37.4 | 25% | 0.253 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.4 | -178.5 | -67.2 | -171.5 | -174.6 | -176.1 | 14.5 | 111.1 | S136 D139 P140 W155 L164 E193 | S136-R142 PolarHBondContact N-O 2.77Å; D139-R142 HydrophobicContact CB-CB 4.13Å; D139-R142 HydrophobicContact CB-CG 3.91Å; D139-R142 PolarHBondContact O-N 3.35Å; D139-R142 IonicContact OD2-CZ 3.77Å; D139-R142 IonicContact OD2-NE 3.53Å; D139-R142 PolarHBondContact OD2-NE 3.18Å; D139-R142 IonicContact OD2-NH2 3.83Å; P140-R142 VanDerWaalsContact C-N 3.31Å; R142-W155 WeakPolarHBondContact CA-O 3.13Å; R142-L164 HydrophobicContact CG-CD1 4.43Å; R142-E193 IonicContact CZ-OE1 3.24Å; R142-E193 IonicContact NH1-OE1 3.88Å; R142-E193 PolarHBondContact NH1-OE1 3Å; R142-E193 IonicContact NH2-OE1 2.85Å; R142-E193 PolarHBondContact NH2-OE1 2.78Å; R142-E193 VanDerWaalsContact NH2-OE1 3.15Å |
| 143 | V | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.5 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | I102 L110 M133 T145 I154 W155 L157 | I102-V143 HydrophobicContact CD1-CG2 4.13Å; L110-V143 HydrophobicContact CD1-CB 4.44Å; L110-V143 HydrophobicContact CD1-CG1 3.67Å; M133-V143 HydrophobicContact CE-CB 4.17Å; M133-V143 HydrophobicContact CE-CG1 3.32Å; M133-V143 HydrophobicContact CE-CG2 3.79Å; M133-V143 HydrophobicContact CG-CG1 3.42Å; M133-V143 VanDerWaalsContact CG-CG1 3.42Å; M133-V143 HydrophobicContact SD-CG1 4.18Å; V143-T145 HydrophobicContact CG1-CG2 4.3Å; V143-I154 CarbonylContact O-C 3.57Å; V143-I154 WeakPolarHBondContact O-CA 3.48Å; V143-W155 PolarHBondContact N-O 3.05Å; V143-W155 PolarHBondContact O-N 2.94Å; V143-L157 HydrophobicContact CG2-CD1 3.96Å; V143-L157 HydrophobicContact CG2-CD2 4.34Å; V143-L157 HydrophobicContact CG2-CG 4.2Å |
| 144 | A | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M133 R134 L152 K153 I186 F188 | M133-A144 CarbonylContact C-O 3.56Å; M133-A144 VanDerWaalsContact CA-O 3.29Å; M133-A144 WeakPolarHBondContact CA-O 3.48Å; R134-A144 PolarHBondContact N-O 3.09Å; R134-A144 PolarHBondContact O-N 2.72Å; A144-L152 HydrophobicContact CB-CD1 3.83Å; A144-K153 CarbonylContact C-O 3.59Å; A144-K153 VanDerWaalsContact CA-O 3.3Å; A144-K153 WeakPolarHBondContact CA-O 3.32Å; A144-I186 HydrophobicContact CB-CD1 4.34Å; A144-I186 HydrophobicContact CB-CG2 3.83Å; A144-F188 HydrophobicContact CB-CE1 4.34Å; A144-F188 HydrophobicContact CB-CE2 3.55Å; A144-F188 HydrophobicContact CB-CZ 3.33Å |
| 145 | T | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.9 | 175.9 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | L110 A126 M133 V143 K153 W155 I186 | L110-T145 HydrophobicContact CD1-CG2 3.96Å; A126-T145 HydrophobicContact CB-CG2 3.89Å; M133-T145 HydrophobicContact CB-CG2 4.24Å; M133-T145 HydrophobicContact CG-CG2 4.23Å; V143-T145 HydrophobicContact CG1-CG2 4.3Å; T145-K153 PolarHBondContact N-O 3.2Å; T145-K153 PolarHBondContact O-N 3.3Å; T145-W155 PolarHBondContact OG1-NE1 3.26Å; T145-W155 VanDerWaalsContact OG1-NE1 3.08Å; T145-I186 VanDerWaalsContact C-CD1 3.47Å |
| 146 | G | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 154.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C131 R132 | C131-G146 PolarHBondContact N-O 2.89Å; R132-G146 PolarHBondContact N-O 3.48Å; R132-G146 PolarHBondContact O-N 3.36Å |
| 147 | G | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | -164.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S129 N150 W182 V183 | S129-G147 WeakPolarHBondContact O-CA 3.29Å; G147-N150 CarbonylContact C-O 3.58Å; G147-N150 PolarHBondContact N-O 3.2Å; G147-N150 VanDerWaalsContact O-O 3.11Å; G147-W182 WeakPolarHBondContact O-CA 3.49Å; G147-V183 PolarHBondContact O-N 3.33Å |
| 148 | K | 92.4 | Very high | 90.6 | Very high | 106 Ų | 106 | 34.7 Ų | 34.7 | 46% | 0.461 | 17% | 0.174 | S | C | . | . | B | Isolated β-bridge | trans | -80.2 | 122.5 | 174.9 | -172.1 | 179 | 178.6 | -177.1 | 0 | 108.8 | S129 N150 W182 | S129-K148 PolarHBondContact O-N 3.46Å; S129-K148 VanDerWaalsContact O-N 3.09Å; K148-N150 PolarHBondContact O-N 2.74Å; K148-W182 HydrophobicContact CB-CD2 4.45Å; K148-W182 HydrophobicContact CB-CG 4.12Å; K148-W182 HydrophobicContact CD-CD2 4.49Å; K148-W182 HydrophobicContact CG-CD2 4.21Å; K148-W182 HydrophobicContact CG-CG 4.1Å |
| 149 | E | 88.8 | Confident | 90.7 | Very high | 80 Ų | 80 | 39 Ų | 39 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 56.7 | 15.8 | -172.3 | -62.5 | -58.3 | 133.5 | 0 | 0 | 114.6 | R178 H181 | E149-R178 IonicContact OE2-CZ 3.35Å; E149-R178 VanDerWaalsContact OE2-CZ 3.24Å; E149-R178 IonicContact OE2-NH1 3.26Å; E149-R178 PolarHBondContact OE2-NH1 2.96Å; E149-R178 IonicContact OE2-NH2 3.49Å; E149-R178 PolarHBondContact OE2-NH2 2.79Å; E149-H181 WeakPolarHBondContact CA-CE1 3.42Å; E149-H181 WeakPolarHBondContact CA-O 3.35Å; E149-H181 PolarHBondContact N-O 3.07Å; E149-H181 PolarHBondContact O-CE1 2.84Å; E149-H181 VanDerWaalsContact O-CE1 3.24Å; E149-H181 PolarHBondContact O-NE2 3.1Å; E149-H181 PolarHBondContact OE1-N 2.87Å; E149-H181 IonicContact OE1-ND1 3.79Å; E149-H181 IonicContact OE2-CE1 3.54Å; E149-H181 PolarHBondContact OE2-CE1 2.86Å; E149-H181 IonicContact OE2-ND1 3.53Å; E149-H181 PolarHBondContact OE2-ND1 3.03Å |
| 150 | N | 88.6 | Confident | 90.3 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | trans | -126.3 | 103.4 | 175.7 | -167.5 | 7 | 0 | 0 | 0 | 108.3 | A126 G127 S128 G147 K148 K153 H181 | A126-N150 PolarHBondContact O-ND2 3.19Å; G127-N150 PolarHBondContact O-ND2 2.83Å; S128-N150 PolarHBondContact O-ND2 3.43Å; G147-N150 CarbonylContact C-O 3.58Å; G147-N150 PolarHBondContact N-O 3.2Å; G147-N150 VanDerWaalsContact O-O 3.11Å; K148-N150 PolarHBondContact O-N 2.74Å; N150-K153 WeakPolarHBondContact OD1-CE 2.92Å; N150-K153 PolarHBondContact OD1-NZ 3.12Å; N150-H181 PolarHBondContact N-NE2 3.25Å | ||
| 151 | G | 90.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | trans | -63.3 | 174.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K153 H181 | G151-K153 PolarHBondContact O-N 3.31Å; G151-H181 PolarHBondContact N-CD2 3.33Å; G151-H181 PolarHBondContact N-NE2 2.92Å | ||
| 152 | L | 93.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -58.6 | 122.2 | 174.1 | 176.9 | 67.9 | 0 | 0 | 0 | 110.2 | A144 F165 A167 I186 V195 T197 F207 | A144-L152 HydrophobicContact CB-CD1 3.83Å; L152-F165 HydrophobicContact CD2-CE1 4.43Å; L152-A167 HydrophobicContact CB-CB 3.91Å; L152-A167 WeakPolarHBondContact O-CB 3.4Å; L152-A167 PolarHBondContact O-N 2.79Å; L152-I186 HydrophobicContact CD1-CD1 3.98Å; L152-I186 HydrophobicContact CD1-CG1 4.43Å; L152-I186 HydrophobicContact CD1-CG2 4.01Å; L152-V195 HydrophobicContact CD1-CG1 3.99Å; L152-V195 HydrophobicContact CD2-CB 3.85Å; L152-V195 HydrophobicContact CD2-CG1 3.67Å; L152-V195 HydrophobicContact CG-CG1 4.5Å; L152-T197 HydrophobicContact CB-CG2 4.11Å; L152-T197 HydrophobicContact CD1-CG2 4.03Å; L152-T197 HydrophobicContact CD2-CG2 3.98Å; L152-T197 HydrophobicContact CG-CG2 4.26Å; L152-F207 HydrophobicContact CD2-CB 3.97Å; L152-F207 HydrophobicContact CD2-CD2 3.62Å; L152-F207 HydrophobicContact CD2-CE2 4.34Å; L152-F207 HydrophobicContact CD2-CG 3.91Å | ||
| 153 | K | 93.6 | Very high | 89.6 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138 | 168.2 | -63.5 | 176 | -171.1 | 166 | 0 | 109.3 | A126 A144 T145 N150 G151 W155 P163 F165 T166 | A126-K153 PolarHBondContact O-NZ 3.43Å; A144-K153 CarbonylContact C-O 3.59Å; A144-K153 VanDerWaalsContact CA-O 3.3Å; A144-K153 WeakPolarHBondContact CA-O 3.32Å; T145-K153 PolarHBondContact N-O 3.2Å; T145-K153 PolarHBondContact O-N 3.3Å; N150-K153 WeakPolarHBondContact OD1-CE 2.92Å; N150-K153 PolarHBondContact OD1-NZ 3.12Å; G151-K153 PolarHBondContact O-N 3.31Å; K153-W155 HydrophobicContact CB-CZ2 4.38Å; K153-W155 HydrophobicContact CD-CZ2 3.85Å; K153-P163 HydrophobicContact CB-CB 4.47Å; K153-F165 CarbonylContact C-O 3.42Å; K153-F165 VanDerWaalsContact CA-O 3.25Å; K153-F165 WeakPolarHBondContact CA-O 3.47Å; K153-T166 HydrophobicContact CG-CG2 4.18Å |
| 154 | I | 93.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.3 | 173.7 | -53.8 | 176.6 | 0 | 0 | 0 | 107.6 | V143 P163 L164 F165 V195 P209 | V143-I154 CarbonylContact O-C 3.57Å; V143-I154 WeakPolarHBondContact O-CA 3.48Å; I154-P163 CarbonylContact O-C 3.55Å; I154-P163 WeakPolarHBondContact O-CA 3.42Å; I154-P163 WeakPolarHBondContact O-CB 3.38Å; I154-L164 PolarHBondContact O-N 2.79Å; I154-F165 HydrophobicContact CB-CB 4.04Å; I154-F165 HydrophobicContact CD1-CB 4.05Å; I154-F165 HydrophobicContact CD1-CD1 4.2Å; I154-F165 HydrophobicContact CD1-CG 4.39Å; I154-F165 HydrophobicContact CG1-CB 4.14Å; I154-F165 HydrophobicContact CG1-CD1 4.35Å; I154-F165 PolarHBondContact N-O 2.75Å; I154-F165 PolarHBondContact O-N 3.37Å; I154-V195 HydrophobicContact CD1-CG2 3.8Å; I154-P209 HydrophobicContact CD1-CB 3.79Å; I154-P209 HydrophobicContact CD1-CG 4.04Å |
| 155 | W | 92.6 | Very high | 89.2 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.7 | -177.1 | -60.7 | 93.2 | 0 | 0 | 0 | 109.8 | L124 D125 A126 R142 V143 T145 K153 P163 | L124-W155 HydrophobicContact CD2-CB 4.42Å; L124-W155 HydrophobicContact CD2-CD2 4.39Å; L124-W155 HydrophobicContact CD2-CE3 3.9Å; D125-W155 WeakPolarHBondContact O-CH2 3.01Å; D125-W155 WeakPolarHBondContact O-CZ2 3.19Å; A126-W155 HydrophobicContact CB-CZ2 4.39Å; R142-W155 WeakPolarHBondContact CA-O 3.13Å; V143-W155 PolarHBondContact N-O 3.05Å; V143-W155 PolarHBondContact O-N 2.94Å; T145-W155 PolarHBondContact OG1-NE1 3.26Å; T145-W155 VanDerWaalsContact OG1-NE1 3.08Å; K153-W155 HydrophobicContact CB-CZ2 4.38Å; K153-W155 HydrophobicContact CD-CZ2 3.85Å; W155-P163 HydrophobicContact CD2-CB 4.03Å; W155-P163 HydrophobicContact CE3-CB 3.96Å; W155-P163 HydrophobicContact CH2-CB 3.96Å; W155-P163 HydrophobicContact CH2-CG 4Å; W155-P163 HydrophobicContact CZ2-CB 3.97Å; W155-P163 HydrophobicContact CZ2-CG 4.3Å; W155-P163 HydrophobicContact CZ3-CB 3.96Å; W155-P163 HydrophobicContact CZ3-CG 4.21Å |
| 156 | D | 90.8 | Very high | 89.1 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.6 | 165.8 | -169.3 | -9.5 | 0 | 0 | 0 | 108.2 | E158 R159 L164 | D156-E158 PolarHBondContact O-N 3.38Å; D156-E158 PolarHBondContact OD1-N 3.28Å; D156-R159 HydrophobicContact CB-CB 4.37Å; D156-R159 CarbonylContact O-C 3.54Å; D156-R159 PolarHBondContact O-N 3.07Å; D156-R159 VanDerWaalsContact O-N 3.14Å; D156-L164 HydrophobicContact CB-CD1 3.76Å; D156-L164 HydrophobicContact CB-CD2 4.2Å; D156-L164 HydrophobicContact CB-CG 3.86Å |
| 157 | L | 86.6 | Confident | 89 | Confident | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.1 | 179.5 | -63.2 | 175.2 | 0 | 0 | 0 | 112.3 | L96 I102 L110 V112 L124 N141 V143 R159 | L96-L157 HydrophobicContact CD1-CD1 4.29Å; L96-L157 HydrophobicContact CD2-CD1 4.3Å; I102-L157 HydrophobicContact CD1-CD1 3.43Å; I102-L157 VanDerWaalsContact CD1-CD1 3.43Å; I102-L157 HydrophobicContact CG1-CD1 3.92Å; L110-L157 HydrophobicContact CD2-CD2 3.81Å; V112-L157 HydrophobicContact CG2-CD1 4.46Å; V112-L157 HydrophobicContact CG2-CD2 3.88Å; L124-L157 HydrophobicContact CD1-CD2 4.21Å; N141-L157 WeakPolarHBondContact O-CB 3.19Å; N141-L157 VanDerWaalsContact O-CG 3.26Å; N141-L157 WeakPolarHBondContact O-CG 3.2Å; N141-L157 PolarHBondContact O-N 2.61Å; V143-L157 HydrophobicContact CG2-CD1 3.96Å; V143-L157 HydrophobicContact CG2-CD2 4.34Å; V143-L157 HydrophobicContact CG2-CG 4.2Å; L157-R159 VanDerWaalsContact C-N 3.31Å |
| 158 | E | 85.9 | Confident | 88.7 | Confident | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -24 | 173 | -64.3 | -173.7 | 173.6 | 0 | 0 | 112.1 | N141 D156 | N141-E158 HydrophobicContact CB-CG 4.47Å; N141-E158 PolarHBondContact ND2-OE1 3.29Å; D156-E158 PolarHBondContact O-N 3.38Å; D156-E158 PolarHBondContact OD1-N 3.28Å |
| 159 | R | 85.2 | Confident | 88.3 | Confident | 180 Ų | 180 | 60.7 Ų | 60.7 | 68% | 0.679 | 29% | 0.292 | S | S | * | . | trans | -131.3 | 72.3 | -176.5 | -61 | -177.4 | -174.2 | -166.8 | 1.7 | 110.6 | D156 L157 E161 | D156-R159 HydrophobicContact CB-CB 4.37Å; D156-R159 CarbonylContact O-C 3.54Å; D156-R159 PolarHBondContact O-N 3.07Å; D156-R159 VanDerWaalsContact O-N 3.14Å; L157-R159 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.46Å; R159-E161 VanDerWaalsContact O-N 3.14Å | ||
| 160 | P | 79.3 | Confident | 88.1 | Confident | 50 Ų | 50 | 58 Ų | 58 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.2 | -170 | 27.6 | -35.7 | 0 | 0 | 0 | 114.9 | L124 K162 | L124-P160 HydrophobicContact CD1-CB 4.03Å; L124-P160 HydrophobicContact CD2-CB 3.49Å; L124-P160 VanDerWaalsContact CD2-CB 3.49Å; L124-P160 HydrophobicContact CG-CB 3.56Å; P160-K162 PolarHBondContact O-N 2.8Å |
| 161 | E | 78.1 | Confident | 87.9 | Confident | 182 Ų | 182 | 66.5 Ų | 66.5 | 85% | 0.85 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.4 | -171.9 | -62.2 | -170.8 | 166.2 | 0 | 0 | 114.1 | R159 | R159-E161 PolarHBondContact O-N 3.46Å; R159-E161 VanDerWaalsContact O-N 3.14Å |
| 162 | K | 85.5 | Confident | 87.7 | Confident | 162 Ų | 162 | 70.1 Ų | 70.1 | 70% | 0.704 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -143.4 | 142.7 | -176.7 | -69.2 | -178.6 | -176.9 | 168.5 | 0 | 111.4 | P160 L164 | P160-K162 PolarHBondContact O-N 2.8Å; K162-L164 PolarHBondContact O-N 3.46Å |
| 163 | P | 87.5 | Confident | 87.3 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 26% | 0.26 | 34% | 0.34 | S | S | . | . | trans | -66.2 | 135.8 | 171.9 | 28.3 | -32.3 | 0 | 0 | 0 | 109.4 | K153 I154 W155 F165 T166 | K153-P163 HydrophobicContact CB-CB 4.47Å; I154-P163 CarbonylContact O-C 3.55Å; I154-P163 WeakPolarHBondContact O-CA 3.42Å; I154-P163 WeakPolarHBondContact O-CB 3.38Å; W155-P163 HydrophobicContact CD2-CB 4.03Å; W155-P163 HydrophobicContact CE3-CB 3.96Å; W155-P163 HydrophobicContact CH2-CB 3.96Å; W155-P163 HydrophobicContact CH2-CG 4Å; W155-P163 HydrophobicContact CZ2-CB 3.97Å; W155-P163 HydrophobicContact CZ2-CG 4.3Å; W155-P163 HydrophobicContact CZ3-CB 3.96Å; W155-P163 HydrophobicContact CZ3-CG 4.21Å; P163-F165 PolarHBondContact O-N 3.28Å; P163-T166 WeakPolarHBondContact CG-OG1 3.21Å | ||
| 164 | L | 88.9 | Confident | 86.8 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -59.6 | -40 | 172.2 | -70.3 | 178.8 | 0 | 0 | 0 | 111 | R142 I154 D156 K162 | R142-L164 HydrophobicContact CG-CD1 4.43Å; I154-L164 PolarHBondContact O-N 2.79Å; D156-L164 HydrophobicContact CB-CD1 3.76Å; D156-L164 HydrophobicContact CB-CD2 4.2Å; D156-L164 HydrophobicContact CB-CG 3.86Å; K162-L164 PolarHBondContact O-N 3.46Å |
| 165 | F | 90.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 84.7 Ų | 84.7 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 136.5 | -178.3 | -177.4 | -96.3 | 0 | 0 | 0 | 110.5 | L152 K153 I154 P163 A167 F207 P209 R214 | L152-F165 HydrophobicContact CD2-CE1 4.43Å; K153-F165 CarbonylContact C-O 3.42Å; K153-F165 VanDerWaalsContact CA-O 3.25Å; K153-F165 WeakPolarHBondContact CA-O 3.47Å; I154-F165 HydrophobicContact CB-CB 4.04Å; I154-F165 HydrophobicContact CD1-CB 4.05Å; I154-F165 HydrophobicContact CD1-CD1 4.2Å; I154-F165 HydrophobicContact CD1-CG 4.39Å; I154-F165 HydrophobicContact CG1-CB 4.14Å; I154-F165 HydrophobicContact CG1-CD1 4.35Å; I154-F165 PolarHBondContact N-O 2.75Å; I154-F165 PolarHBondContact O-N 3.37Å; P163-F165 PolarHBondContact O-N 3.28Å; F165-A167 HydrophobicContact CE1-CB 3.97Å; F165-F207 HydrophobicContact CE1-CB 4.26Å; F165-F207 HydrophobicContact CE1-CD1 4.21Å; F165-F207 HydrophobicContact CE1-CG 4.42Å; F165-F207 HydrophobicContact CZ-CB 4.39Å; F165-F207 HydrophobicContact CZ-CD1 4.19Å; F165-P209 HydrophobicContact CB-CB 4.31Å; F165-P209 HydrophobicContact CD2-CB 4.17Å; F165-P209 HydrophobicContact CG-CB 4.19Å; F165-R214 HydrophobicContact CE2-CG 4.3Å |
| 166 | T | 92.1 | Very high | 86.3 | Confident | 43 Ų | 43 | 90.9 Ų | 90.9 | 26% | 0.264 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 114.8 | 171.2 | -58.9 | 0 | 0 | 0 | 0 | 108.1 | K153 P163 K168 R214 | K153-T166 HydrophobicContact CG-CG2 4.18Å; P163-T166 WeakPolarHBondContact CG-OG1 3.21Å; T166-K168 PolarHBondContact O-N 3.32Å; T166-R214 WeakPolarHBondContact O-CD 3.42Å |
| 167 | A | 90.8 | Very high | 86.2 | Confident | 14 Ų | 14 | 95.1 Ų | 95.1 | 12% | 0.116 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -63 | 134.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | L152 F165 F207 R214 | L152-A167 HydrophobicContact CB-CB 3.91Å; L152-A167 WeakPolarHBondContact O-CB 3.4Å; L152-A167 PolarHBondContact O-N 2.79Å; F165-A167 HydrophobicContact CE1-CB 3.97Å; A167-F207 HydrophobicContact CB-CD1 4.15Å; A167-F207 HydrophobicContact CB-CE1 3.68Å; A167-F207 HydrophobicContact CB-CZ 4Å; A167-R214 CarbonylContact C-O 3.6Å; A167-R214 WeakPolarHBondContact CA-O 3.39Å |
| 168 | K | 87.9 | Confident | 86.1 | Confident | 126 Ų | 126 | 101 Ų | 101 | 55% | 0.548 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 144.7 | 165.9 | -76.6 | -172.8 | 175.4 | -175.6 | 0 | 108.2 | T166 R214 R215 | T166-K168 PolarHBondContact O-N 3.32Å; K168-R214 HydrophobicContact CB-CB 4Å; K168-R214 HydrophobicContact CD-CB 4.25Å; K168-R214 HydrophobicContact CG-CB 3.83Å; K168-R214 PolarHBondContact N-O 3.05Å; K168-R215 HydrophobicContact CB-CG 4.41Å |
| 169 | N | 84.1 | Confident | 86.1 | Confident | 36 Ų | 36 | 98.6 Ų | 98.6 | 19% | 0.193 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 160.9 | 173.5 | -160.4 | 15.1 | 0 | 0 | 0 | 111.5 | R179 | N169-R179 PolarHBondContact ND2-O 3.45Š|
| 170 | L | 84.4 | Confident | 86.1 | Confident | 24 Ų | 24 | 93 Ų | 93 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 168.4 | 172.6 | -76.3 | 83.6 | 0 | 0 | 0 | 110.7 | P216 E219 | L170-P216 HydrophobicContact CD1-CG 4.05Å; L170-P216 HydrophobicContact CD2-CG 4.44Å; L170-P216 HydrophobicContact CG-CG 4.06Å; L170-E219 WeakPolarHBondContact CD2-OE1 3.47Å; L170-E219 VanDerWaalsContact CD2-OE2 3.25Å; L170-E219 WeakPolarHBondContact CD2-OE2 3.3Å |
| 171 | R | 84.4 | Confident | 86.4 | Confident | 188 Ų | 188 | 92 Ų | 92 | 71% | 0.709 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 151.6 | 171.1 | -70.1 | -170.4 | 173.2 | 159 | 6 | 109.3 | R179 | R171-R179 WeakPolarHBondContact O-CD 3.44Š|
| 172 | D | 86.4 | Confident | 87.1 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 152.6 | 170.5 | -57.3 | -33.4 | 0 | 0 | 0 | 109.3 | L177 R178 | D172-L177 WeakPolarHBondContact CA-O 3.47Å; D172-L177 WeakPolarHBondContact CB-O 3.36Å; D172-R178 WeakPolarHBondContact OD1-CA 3.39Å |
| 173 | D | 84.9 | Confident | 87.5 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | trans | -69.6 | 175.1 | -177.2 | -158.7 | 18.2 | 0 | 0 | 0 | 111.8 | L175 D176 L177 R179 | D173-L175 PolarHBondContact O-N 3.38Å; D173-D176 WeakPolarHBondContact O-CA 3.28Å; D173-D176 PolarHBondContact O-N 2.9Å; D173-L177 PolarHBondContact N-O 3.21Å; D173-R179 HydrophobicContact CB-CG 4.21Å; D173-R179 IonicContact OD1-CZ 3.97Å; D173-R179 IonicContact OD1-NE 3.64Å; D173-R179 IonicContact OD1-NH2 3.18Å; D173-R179 PolarHBondContact OD1-NH2 3.22Å | ||
| 174 | W | 83.8 | Confident | 87.9 | Confident | 206 Ų | 206 | 80.9 Ų | 80.9 | 78% | 0.78 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -13.3 | 177 | 64.1 | -83.5 | 0 | 0 | 0 | 114.4 | ||
| 175 | L | 90.1 | Very high | 88.1 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 11.3 | 172.6 | -71.8 | 167.6 | 0 | 0 | 0 | 113.6 | D173 L177 | D173-L175 PolarHBondContact O-N 3.38Å; L175-L177 HydrophobicContact CB-CD1 4.01Å; L175-L177 HydrophobicContact CB-CG 4.12Å; L175-L177 HydrophobicContact CD1-CD1 4.35Å; L175-L177 PolarHBondContact O-N 2.82Å; L175-L177 VanDerWaalsContact O-N 3.12Å |
| 176 | D | 85.1 | Confident | 88.4 | Confident | 144 Ų | 144 | 76 Ų | 76 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 55.1 | 26.3 | -173 | -63.1 | -44.1 | 0 | 0 | 0 | 113.6 | D173 | D173-D176 WeakPolarHBondContact O-CA 3.28Å; D173-D176 PolarHBondContact O-N 2.9Å |
| 177 | L | 88.6 | Confident | 88.4 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 59% | 0.586 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 135.2 | 176.7 | -70.2 | 171.9 | 0 | 0 | 0 | 110.6 | D172 D173 L175 R179 | D172-L177 WeakPolarHBondContact CA-O 3.47Å; D172-L177 WeakPolarHBondContact CB-O 3.36Å; D173-L177 PolarHBondContact N-O 3.21Å; L175-L177 HydrophobicContact CB-CD1 4.01Å; L175-L177 HydrophobicContact CB-CG 4.12Å; L175-L177 HydrophobicContact CD1-CD1 4.35Å; L175-L177 PolarHBondContact O-N 2.82Å; L175-L177 VanDerWaalsContact O-N 3.12Å; L177-R179 PolarHBondContact O-N 2.91Å; L177-R179 VanDerWaalsContact O-N 3.15Å |
| 178 | R | 85.3 | Confident | 88.5 | Confident | 142 Ų | 142 | 74.7 Ų | 74.7 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 118 | 173.2 | -179.2 | 173.9 | 173.7 | -90 | 1.6 | 110 | E149 D172 H181 | E149-R178 IonicContact OE2-CZ 3.35Å; E149-R178 VanDerWaalsContact OE2-CZ 3.24Å; E149-R178 IonicContact OE2-NH1 3.26Å; E149-R178 PolarHBondContact OE2-NH1 2.96Å; E149-R178 IonicContact OE2-NH2 3.49Å; E149-R178 PolarHBondContact OE2-NH2 2.79Å; D172-R178 WeakPolarHBondContact OD1-CA 3.39Å; R178-H181 PolarHBondContact NH2-CE1 3.26Å; R178-H181 PolarHBondContact NH2-ND1 3.26Å |
| 179 | R | 85.6 | Confident | 88.7 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -64 | 127.4 | 175 | -67.5 | -173.5 | 173.4 | -146.9 | -2.5 | 109.7 | N169 R171 D173 L177 | N169-R179 PolarHBondContact ND2-O 3.45Å; R171-R179 WeakPolarHBondContact O-CD 3.44Å; D173-R179 HydrophobicContact CB-CG 4.21Å; D173-R179 IonicContact OD1-CZ 3.97Å; D173-R179 IonicContact OD1-NE 3.64Å; D173-R179 IonicContact OD1-NH2 3.18Å; D173-R179 PolarHBondContact OD1-NH2 3.22Å; L177-R179 PolarHBondContact O-N 2.91Å; L177-R179 VanDerWaalsContact O-N 3.15Å |
| 180 | P | 84.8 | Confident | 88.4 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 148.5 | 174.4 | 30.5 | -35.4 | 0 | 0 | 0 | 109.5 | Y201 | P180-Y201 HydrophobicContact CB-CE2 3.7Å; P180-Y201 VanDerWaalsContact CB-OH 3.31Å; P180-Y201 WeakPolarHBondContact CB-OH 3.37Å; P180-Y201 HydrophobicContact CG-CD2 4.4Å; P180-Y201 HydrophobicContact CG-CE1 3.89Å; P180-Y201 HydrophobicContact CG-CE2 3.73Å; P180-Y201 VanDerWaalsContact CG-CZ 3.44Å |
| 181 | H | 86.2 | Confident | 88.1 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | trans | -131.2 | 129.3 | -179.7 | 71.4 | -65.7 | 0 | 0 | 0 | 110 | E149 N150 G151 R178 | E149-H181 WeakPolarHBondContact CA-CE1 3.42Å; E149-H181 WeakPolarHBondContact CA-O 3.35Å; E149-H181 PolarHBondContact N-O 3.07Å; E149-H181 PolarHBondContact O-CE1 2.84Å; E149-H181 VanDerWaalsContact O-CE1 3.24Å; E149-H181 PolarHBondContact O-NE2 3.1Å; E149-H181 PolarHBondContact OE1-N 2.87Å; E149-H181 IonicContact OE1-ND1 3.79Å; E149-H181 IonicContact OE2-CE1 3.54Å; E149-H181 PolarHBondContact OE2-CE1 2.86Å; E149-H181 IonicContact OE2-ND1 3.53Å; E149-H181 PolarHBondContact OE2-ND1 3.03Å; N150-H181 PolarHBondContact N-NE2 3.25Å; G151-H181 PolarHBondContact N-CD2 3.33Å; G151-H181 PolarHBondContact N-NE2 2.92Å; R178-H181 PolarHBondContact NH2-CE1 3.26Å; R178-H181 PolarHBondContact NH2-ND1 3.26Å | ||
| 182 | W | 92.8 | Very high | 87.8 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 30% | 0.303 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -142.6 | 95.7 | -176.7 | -173.8 | 3.1 | 0 | 0 | 0 | 109.9 | C131 G147 K148 T199 G200 Y201 | C131-W182 PolarHBondContact SG-NE1 3.23Å; G147-W182 WeakPolarHBondContact O-CA 3.49Å; K148-W182 HydrophobicContact CB-CD2 4.45Å; K148-W182 HydrophobicContact CB-CG 4.12Å; K148-W182 HydrophobicContact CD-CD2 4.49Å; K148-W182 HydrophobicContact CG-CD2 4.21Å; K148-W182 HydrophobicContact CG-CG 4.1Å; W182-T199 CarbonylContact O-C 3.57Å; W182-T199 WeakPolarHBondContact O-CA 3.28Å; W182-T199 WeakPolarHBondContact O-CB 3.33Å; W182-G200 PolarHBondContact O-N 3.26Å; W182-Y201 HydrophobicContact CB-CD2 4.29Å; W182-Y201 HydrophobicContact CB-CE2 3.86Å |
| 183 | V | 94.4 | Very high | 87.6 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.1 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 109 | C131 G147 I186 T197 | C131-V183 VanDerWaalsContact CB-O 3.28Å; C131-V183 WeakPolarHBondContact CB-O 3.39Å; G147-V183 PolarHBondContact O-N 3.33Å; V183-I186 HydrophobicContact CG1-CD1 4.16Å; V183-I186 HydrophobicContact CG1-CG1 3.71Å; V183-T197 HydrophobicContact CG1-CG2 4.3Å |
| 184 | R | 94.3 | Very high | 87.8 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 24% | 0.242 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -37.8 | -177 | -72.1 | -64.8 | -55.1 | 135.4 | 8.2 | 113.1 | C198 L227 | R184-C198 PolarHBondContact N-O 3.14Å; R184-L227 WeakPolarHBondContact CB-O 3.44Å; R184-L227 WeakPolarHBondContact CG-O 3.39Å |
| 185 | D | 94.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 159.9 | 174.2 | -157.5 | -2.2 | 0 | 0 | 0 | 109.9 | R132 R134 T197 C198 L230 | R132-D185 WeakPolarHBondContact CG-OD1 3.07Å; R132-D185 IonicContact NE-OD1 2.8Å; R132-D185 PolarHBondContact NE-OD1 2.79Å; R134-D185 IonicContact CZ-OD1 3.36Å; R134-D185 IonicContact NE-OD1 3.15Å; R134-D185 PolarHBondContact NE-OD1 3.32Å; R134-D185 VanDerWaalsContact NE-OD1 3.16Å; R134-D185 IonicContact NH2-OD1 2.75Å; R134-D185 PolarHBondContact NH2-OD1 3.33Å; R134-D185 VanDerWaalsContact NH2-OD1 3.13Å; R134-D185 IonicContact NH2-OD2 2.68Å; R134-D185 PolarHBondContact NH2-OD2 3.47Å; D185-T197 WeakPolarHBondContact O-CA 3.36Å; D185-C198 PolarHBondContact O-N 2.79Å; D185-L230 HydrophobicContact CB-CB 3.9Å; D185-L230 PolarHBondContact OD2-N 3.39Å |
| 186 | I | 95.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.2 | -173.1 | -55.8 | 169.5 | 0 | 0 | 0 | 108 | R134 A144 T145 L152 V183 V195 V196 T197 | R134-I186 HydrophobicContact CG-CB 4.12Å; R134-I186 WeakPolarHBondContact CG-O 3.27Å; R134-I186 PolarHBondContact NE-O 2.57Å; A144-I186 HydrophobicContact CB-CD1 4.34Å; A144-I186 HydrophobicContact CB-CG2 3.83Å; T145-I186 VanDerWaalsContact C-CD1 3.47Å; L152-I186 HydrophobicContact CD1-CD1 3.98Å; L152-I186 HydrophobicContact CD1-CG1 4.43Å; L152-I186 HydrophobicContact CD1-CG2 4.01Å; V183-I186 HydrophobicContact CG1-CD1 4.16Å; V183-I186 HydrophobicContact CG1-CG1 3.71Å; I186-V195 HydrophobicContact CG2-CG1 3.56Å; I186-V196 CarbonylContact C-O 3.39Å; I186-V196 WeakPolarHBondContact CA-O 3.41Å; I186-T197 HydrophobicContact CG1-CG2 4.29Å; I186-T197 HydrophobicContact CG2-CG2 4.44Å |
| 187 | G | 93.8 | Very high | 89 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 136.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V196 | G187-V196 PolarHBondContact N-O 2.77Å; G187-V196 PolarHBondContact O-N 3.1Å |
| 188 | F | 92.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 126.5 | 170.3 | -71.5 | -90.3 | 0 | 0 | 0 | 109.4 | R134 Q135 P137 A144 P190 V195 L232 | R134-F188 HydrophobicContact CB-CD2 4.47Å; R134-F188 HydrophobicContact CB-CE2 4.26Å; R134-F188 WeakPolarHBondContact O-CE2 3.1Å; Q135-F188 WeakPolarHBondContact O-CD2 3.32Å; P137-F188 VanDerWaalsContact CD-CB 3.44Å; P137-F188 HydrophobicContact CG-CB 4.2Å; A144-F188 HydrophobicContact CB-CE1 4.34Å; A144-F188 HydrophobicContact CB-CE2 3.55Å; A144-F188 HydrophobicContact CB-CZ 3.33Å; F188-P190 WeakPolarHBondContact O-CD 3.32Å; F188-V195 HydrophobicContact CD1-CG2 3.65Å; F188-V195 HydrophobicContact CE1-CG2 3.66Å; F188-L232 WeakPolarHBondContact O-CD1 3.34Å |
| 189 | I | 90.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 120.3 | 178.7 | -60.1 | -177.6 | 0 | 0 | 0 | 108.3 | S192 K194 V196 V206 L232 G236 L253 | I189-S192 WeakPolarHBondContact CB-OG 3.47Å; I189-S192 VanDerWaalsContact CG2-OG 3.28Å; I189-S192 WeakPolarHBondContact CG2-OG 3.5Å; I189-S192 PolarHBondContact O-N 3.32Å; I189-K194 HydrophobicContact CD1-CB 3.84Å; I189-K194 HydrophobicContact CG1-CB 4.4Å; I189-K194 PolarHBondContact N-O 2.88Å; I189-V196 HydrophobicContact CD1-CG2 3.6Å; I189-V196 HydrophobicContact CG1-CG2 3.59Å; I189-V206 HydrophobicContact CD1-CG1 4.31Å; I189-L232 HydrophobicContact CG1-CD1 4.24Å; I189-L232 HydrophobicContact CG1-CD2 4.21Å; I189-G236 WeakPolarHBondContact CG2-O 3.35Å; I189-L253 HydrophobicContact CD1-CD1 3.71Å; I189-L253 HydrophobicContact CG1-CD1 4.22Å |
| 190 | P | 79.3 | Confident | 90 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 142.8 | 172 | 26.3 | -32.3 | 0 | 0 | 0 | 109.3 | F188 S192 | F188-P190 WeakPolarHBondContact O-CD 3.32Å; P190-S192 VanDerWaalsContact C-N 3.28Å; P190-S192 PolarHBondContact O-N 3.25Å |
| 191 | D | 77.2 | Confident | 90.3 | Very high | 154 Ų | 154 | 34.5 Ų | 34.5 | 82% | 0.824 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -4.4 | -176.4 | -49 | -28.2 | 0 | 0 | 0 | 117.1 | ||
| 192 | S | 77.5 | Confident | 90.6 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 29% | 0.287 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -137.6 | 150.6 | 172.9 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | I189 P190 K194 | I189-S192 WeakPolarHBondContact CB-OG 3.47Å; I189-S192 VanDerWaalsContact CG2-OG 3.28Å; I189-S192 WeakPolarHBondContact CG2-OG 3.5Å; I189-S192 PolarHBondContact O-N 3.32Å; P190-S192 VanDerWaalsContact C-N 3.28Å; P190-S192 PolarHBondContact O-N 3.25Å; S192-K194 PolarHBondContact O-N 2.8Å; S192-K194 WeakPolarHBondContact OG-CB 3.22Å |
| 193 | E | 82.3 | Confident | 90.5 | Very high | 88 Ų | 88 | 33 Ų | 33 | 41% | 0.411 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -69.5 | 1 | 173.1 | -69.5 | -163.4 | 131.1 | 0 | 0 | 113 | R142 P209 | R142-E193 IonicContact CZ-OE1 3.24Å; R142-E193 IonicContact NH1-OE1 3.88Å; R142-E193 PolarHBondContact NH1-OE1 3Å; R142-E193 IonicContact NH2-OE1 2.85Å; R142-E193 PolarHBondContact NH2-OE1 2.78Å; R142-E193 VanDerWaalsContact NH2-OE1 3.15Å; E193-P209 HydrophobicContact CB-CG 4.11Å; E193-P209 WeakPolarHBondContact O-CD 3.42Å; E193-P209 WeakPolarHBondContact O-CG 3.32Å |
| 194 | K | 90.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 32.8 Ų | 32.8 | 34% | 0.335 | 16% | 0.164 | S | C | . | . | trans | -71.3 | 148.1 | -176.4 | -65.1 | 178.2 | -177.6 | 177.6 | 0 | 112.3 | I189 S192 V206 F207 D208 | I189-K194 HydrophobicContact CD1-CB 3.84Å; I189-K194 HydrophobicContact CG1-CB 4.4Å; I189-K194 PolarHBondContact N-O 2.88Å; S192-K194 PolarHBondContact O-N 2.8Å; S192-K194 WeakPolarHBondContact OG-CB 3.22Å; K194-V206 HydrophobicContact CB-CG1 4.33Å; K194-V206 HydrophobicContact CD-CG1 4.44Å; K194-F207 CarbonylContact C-O 3.59Å; K194-F207 VanDerWaalsContact CA-O 3.27Å; K194-F207 WeakPolarHBondContact CA-O 3.46Å; K194-F207 WeakPolarHBondContact CB-O 3.26Å; K194-D208 WeakPolarHBondContact CE-OD2 3.38Å; K194-D208 HydrophobicContact CG-CB 4.1Å | ||
| 195 | V | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.6 | -178.4 | -174.1 | 0 | 0 | 0 | 0 | 110 | L152 I154 I186 F188 V206 F207 | L152-V195 HydrophobicContact CD1-CG1 3.99Å; L152-V195 HydrophobicContact CD2-CB 3.85Å; L152-V195 HydrophobicContact CD2-CG1 3.67Å; L152-V195 HydrophobicContact CG-CG1 4.5Å; I154-V195 HydrophobicContact CD1-CG2 3.8Å; I186-V195 HydrophobicContact CG2-CG1 3.56Å; F188-V195 HydrophobicContact CD1-CG2 3.65Å; F188-V195 HydrophobicContact CE1-CG2 3.66Å; V195-V206 CarbonylContact O-C 3.54Å; V195-V206 WeakPolarHBondContact O-CA 3.34Å; V195-F207 PolarHBondContact N-O 3.47Å; V195-F207 PolarHBondContact O-N 3.16Å |
| 196 | V | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138 | 174.1 | -167.5 | 0 | 0 | 0 | 0 | 109.4 | I186 G187 I189 V204 H205 V206 L230 L232 V239 L253 | I186-V196 CarbonylContact C-O 3.39Å; I186-V196 WeakPolarHBondContact CA-O 3.41Å; G187-V196 PolarHBondContact N-O 2.77Å; G187-V196 PolarHBondContact O-N 3.1Å; I189-V196 HydrophobicContact CD1-CG2 3.6Å; I189-V196 HydrophobicContact CG1-CG2 3.59Å; V196-V204 HydrophobicContact CG1-CG1 3.47Å; V196-V204 VanDerWaalsContact CG1-CG1 3.47Å; V196-H205 CarbonylContact C-O 3.57Å; V196-H205 WeakPolarHBondContact CA-O 3.39Å; V196-V206 HydrophobicContact CG1-CG2 4.4Å; V196-V206 HydrophobicContact CG2-CG2 4.2Å; V196-L230 HydrophobicContact CB-CD1 4.17Å; V196-L230 HydrophobicContact CG1-CD1 3.67Å; V196-L232 HydrophobicContact CG2-CD2 4Å; V196-V239 HydrophobicContact CG1-CG2 4.4Å; V196-L253 HydrophobicContact CG1-CD2 4.27Å; V196-L253 HydrophobicContact CG2-CD1 3.98Å; V196-L253 HydrophobicContact CG2-CD2 4.03Å |
| 197 | T | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.6 | 174.7 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | L152 V183 D185 I186 V204 H205 F207 | L152-T197 HydrophobicContact CB-CG2 4.11Å; L152-T197 HydrophobicContact CD1-CG2 4.03Å; L152-T197 HydrophobicContact CD2-CG2 3.98Å; L152-T197 HydrophobicContact CG-CG2 4.26Å; V183-T197 HydrophobicContact CG1-CG2 4.3Å; D185-T197 WeakPolarHBondContact O-CA 3.36Å; I186-T197 HydrophobicContact CG1-CG2 4.29Å; I186-T197 HydrophobicContact CG2-CG2 4.44Å; T197-V204 WeakPolarHBondContact O-CA 3.39Å; T197-H205 PolarHBondContact N-O 3.2Å; T197-H205 PolarHBondContact O-N 2.88Å; T197-F207 HydrophobicContact CG2-CD2 4.19Å; T197-F207 HydrophobicContact CG2-CE2 4.12Å |
| 198 | C | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.7 | 168.3 | -85.6 | 0 | 0 | 0 | 0 | 110.3 | R184 D185 L227 L230 V241 | R184-C198 PolarHBondContact N-O 3.14Å; D185-C198 PolarHBondContact O-N 2.79Å; C198-L227 HydrophobicContact CB-CB 3.99Å; C198-L227 HydrophobicContact CB-CD1 4.23Å; C198-L230 HydrophobicContact CB-CB 4.31Å; C198-L230 HydrophobicContact CB-CD1 4.23Å; C198-L230 WeakPolarHBondContact SG-CD1 3.39Å; C198-V241 WeakPolarHBondContact SG-CG1 3.17Å |
| 199 | T | 93.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.9 | 176.9 | 80 | 0 | 0 | 0 | 0 | 112.8 | W182 Y201 Q203 L227 | W182-T199 CarbonylContact O-C 3.57Å; W182-T199 WeakPolarHBondContact O-CA 3.28Å; W182-T199 WeakPolarHBondContact O-CB 3.33Å; T199-Y201 PolarHBondContact O-N 2.75Å; T199-Y201 PolarHBondContact OG1-N 3.34Å; T199-Q203 HydrophobicContact CG2-CB 4.28Å; T199-Q203 PolarHBondContact N-O 2.85Å; T199-Q203 WeakPolarHBondContact OG1-CB 3.44Å; T199-Q203 PolarHBondContact OG1-N 2.76Å; T199-Q203 PolarHBondContact OG1-O 2.89Å; T199-L227 WeakPolarHBondContact O-CB 3.32Å; T199-L227 PolarHBondContact O-N 2.84Å |
| 200 | G | 92.5 | Very high | 89.7 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -4.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W182 P226 | W182-G200 PolarHBondContact O-N 3.26Å; G200-P226 WeakPolarHBondContact O-CA 3.29Å; G200-P226 WeakPolarHBondContact O-CB 3.32Å; G200-P226 WeakPolarHBondContact O-CG 3.5Å |
| 201 | Y | 91.9 | Very high | 89.9 | Confident | 86 Ų | 86 | 35.3 Ų | 35.3 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 44.5 | 177.7 | -59.5 | -73.6 | 0 | 0 | 0 | 110.6 | P180 W182 T199 Q203 | P180-Y201 HydrophobicContact CB-CE2 3.7Å; P180-Y201 VanDerWaalsContact CB-OH 3.31Å; P180-Y201 WeakPolarHBondContact CB-OH 3.37Å; P180-Y201 HydrophobicContact CG-CD2 4.4Å; P180-Y201 HydrophobicContact CG-CE1 3.89Å; P180-Y201 HydrophobicContact CG-CE2 3.73Å; P180-Y201 VanDerWaalsContact CG-CZ 3.44Å; W182-Y201 HydrophobicContact CB-CD2 4.29Å; W182-Y201 HydrophobicContact CB-CE2 3.86Å; T199-Y201 PolarHBondContact O-N 2.75Å; T199-Y201 PolarHBondContact OG1-N 3.34Å; Y201-Q203 WeakPolarHBondContact O-CG 3.4Å; Y201-Q203 PolarHBondContact O-N 2.79Å |
| 202 | H | 90.9 | Very high | 90.1 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 55.9 | 8.9 | 173 | 59.7 | -90.5 | 0 | 0 | 0 | 117.2 | F222 G223 Y225 | H202-F222 PolarHBondContact O-N 3Å; H202-G223 WeakPolarHBondContact CB-O 3.31Å; H202-Y225 WeakPolarHBondContact CB-O 3.48Å |
| 203 | Q | 92.1 | Very high | 90.5 | Very high | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.2 | -177.1 | -69.9 | 173 | -20.6 | 0 | 0 | 111.7 | T199 Y201 H205 E219 A220 E221 | T199-Q203 HydrophobicContact CG2-CB 4.28Å; T199-Q203 PolarHBondContact N-O 2.85Å; T199-Q203 WeakPolarHBondContact OG1-CB 3.44Å; T199-Q203 PolarHBondContact OG1-N 2.76Å; T199-Q203 PolarHBondContact OG1-O 2.89Å; Y201-Q203 WeakPolarHBondContact O-CG 3.4Å; Y201-Q203 PolarHBondContact O-N 2.79Å; Q203-H205 PolarHBondContact OE1-NE2 3.13Å; Q203-E219 VanDerWaalsContact CD-OE1 3.29Å; Q203-E219 PolarHBondContact NE2-OE1 2.78Å; Q203-A220 CarbonylContact C-O 3.53Å; Q203-A220 WeakPolarHBondContact CA-O 3.49Å; Q203-E221 HydrophobicContact CG-CG 3.69Å; Q203-E221 PolarHBondContact NE2-OE1 3.4Å |
| 204 | V | 94.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.4 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | V196 T197 A220 L227 V241 L251 | V196-V204 HydrophobicContact CG1-CG1 3.47Å; V196-V204 VanDerWaalsContact CG1-CG1 3.47Å; T197-V204 WeakPolarHBondContact O-CA 3.39Å; V204-A220 HydrophobicContact CB-CB 4.46Å; V204-A220 PolarHBondContact N-O 2.84Å; V204-A220 PolarHBondContact O-N 3.21Å; V204-L227 HydrophobicContact CG2-CD1 3.55Å; V204-V241 HydrophobicContact CG2-CG1 3.92Å; V204-L251 HydrophobicContact CB-CD2 4.46Å; V204-L251 HydrophobicContact CG2-CD2 4.16Å |
| 205 | H | 93.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.046 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.7 | -179.6 | -63 | -44.5 | 0 | 0 | 0 | 110.4 | V196 T197 Q203 F207 P216 L218 E219 | V196-H205 CarbonylContact C-O 3.57Å; V196-H205 WeakPolarHBondContact CA-O 3.39Å; T197-H205 PolarHBondContact N-O 3.2Å; T197-H205 PolarHBondContact O-N 2.88Å; Q203-H205 PolarHBondContact OE1-NE2 3.13Å; H205-F207 HydrophobicContact CB-CD2 4.3Å; H205-F207 HydrophobicContact CB-CE2 3.55Å; H205-F207 HydrophobicContact CB-CZ 3.97Å; H205-P216 HydrophobicContact CB-CB 3.91Å; H205-L218 WeakPolarHBondContact CA-O 3.43Å; H205-E219 IonicContact CE1-OE1 3.16Å |
| 206 | V | 93.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.5 | 171.6 | -172.8 | 0 | 0 | 0 | 0 | 109 | I189 K194 V195 V196 P216 V217 L218 L253 | I189-V206 HydrophobicContact CD1-CG1 4.31Å; K194-V206 HydrophobicContact CB-CG1 4.33Å; K194-V206 HydrophobicContact CD-CG1 4.44Å; V195-V206 CarbonylContact O-C 3.54Å; V195-V206 WeakPolarHBondContact O-CA 3.34Å; V196-V206 HydrophobicContact CG1-CG2 4.4Å; V196-V206 HydrophobicContact CG2-CG2 4.2Å; V206-P216 CarbonylContact O-C 3.43Å; V206-P216 WeakPolarHBondContact O-CA 3.33Å; V206-V217 PolarHBondContact O-N 3.49Å; V206-L218 HydrophobicContact CB-CB 3.98Å; V206-L218 HydrophobicContact CG2-CB 3.97Å; V206-L218 HydrophobicContact CG2-CD2 3.94Å; V206-L218 HydrophobicContact CG2-CG 4.47Å; V206-L218 PolarHBondContact N-O 3.48Å; V206-L253 HydrophobicContact CG2-CD2 3.86Å |
| 207 | F | 93.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.8 | 177.2 | -64.1 | -85.6 | 0 | 0 | 0 | 110.1 | L152 F165 A167 K194 V195 T197 H205 P216 | L152-F207 HydrophobicContact CD2-CB 3.97Å; L152-F207 HydrophobicContact CD2-CD2 3.62Å; L152-F207 HydrophobicContact CD2-CE2 4.34Å; L152-F207 HydrophobicContact CD2-CG 3.91Å; F165-F207 HydrophobicContact CE1-CB 4.26Å; F165-F207 HydrophobicContact CE1-CD1 4.21Å; F165-F207 HydrophobicContact CE1-CG 4.42Å; F165-F207 HydrophobicContact CZ-CB 4.39Å; F165-F207 HydrophobicContact CZ-CD1 4.19Å; A167-F207 HydrophobicContact CB-CD1 4.15Å; A167-F207 HydrophobicContact CB-CE1 3.68Å; A167-F207 HydrophobicContact CB-CZ 4Å; K194-F207 CarbonylContact C-O 3.59Å; K194-F207 VanDerWaalsContact CA-O 3.27Å; K194-F207 WeakPolarHBondContact CA-O 3.46Å; K194-F207 WeakPolarHBondContact CB-O 3.26Å; V195-F207 PolarHBondContact N-O 3.47Å; V195-F207 PolarHBondContact O-N 3.16Å; T197-F207 HydrophobicContact CG2-CD2 4.19Å; T197-F207 HydrophobicContact CG2-CE2 4.12Å; H205-F207 HydrophobicContact CB-CD2 4.3Å; H205-F207 HydrophobicContact CB-CE2 3.55Å; H205-F207 HydrophobicContact CB-CZ 3.97Å; F207-P216 HydrophobicContact CD1-CB 4.49Å; F207-P216 HydrophobicContact CE1-CB 4.03Å; F207-P216 HydrophobicContact CE1-CG 4.46Å; F207-P216 HydrophobicContact CZ-CB 4.12Å |
| 208 | D | 91.1 | Very high | 90 | Very high | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -116.9 | 100.5 | 174.7 | -168.8 | -21.1 | 0 | 0 | 0 | 109.2 | K194 A210 T211 V217 | K194-D208 WeakPolarHBondContact CE-OD2 3.38Å; K194-D208 HydrophobicContact CG-CB 4.1Å; D208-A210 PolarHBondContact O-N 2.9Å; D208-A210 WeakPolarHBondContact OD1-CB 3.35Å; D208-A210 PolarHBondContact OD1-N 3Å; D208-A210 VanDerWaalsContact OD1-N 3.12Å; D208-T211 HydrophobicContact CB-CG2 4.2Å; D208-T211 PolarHBondContact O-N 2.94Å; D208-T211 PolarHBondContact O-OG1 3.13Å; D208-V217 HydrophobicContact CB-CG2 3.9Å | ||
| 209 | P | 86.6 | Confident | 89.9 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16 | -176.8 | 31.3 | -34.8 | 0 | 0 | 0 | 113.2 | I154 F165 E193 T211 | I154-P209 HydrophobicContact CD1-CB 3.79Å; I154-P209 HydrophobicContact CD1-CG 4.04Å; F165-P209 HydrophobicContact CB-CB 4.31Å; F165-P209 HydrophobicContact CD2-CB 4.17Å; F165-P209 HydrophobicContact CG-CB 4.19Å; E193-P209 HydrophobicContact CB-CG 4.11Å; E193-P209 WeakPolarHBondContact O-CD 3.42Å; E193-P209 WeakPolarHBondContact O-CG 3.32Å; P209-T211 PolarHBondContact O-N 3.39Å |
| 210 | A | 86 | Confident | 89.7 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 57% | 0.57 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -25.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D208 | D208-A210 PolarHBondContact O-N 2.9Å; D208-A210 WeakPolarHBondContact OD1-CB 3.35Å; D208-A210 PolarHBondContact OD1-N 3Å; D208-A210 VanDerWaalsContact OD1-N 3.12Å |
| 211 | T | 84.3 | Confident | 89.6 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -88 | 144.7 | 175.4 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | D208 P209 Q213 | D208-T211 HydrophobicContact CB-CG2 4.2Å; D208-T211 PolarHBondContact O-N 2.94Å; D208-T211 PolarHBondContact O-OG1 3.13Å; P209-T211 PolarHBondContact O-N 3.39Å; T211-Q213 PolarHBondContact O-N 2.87Å |
| 212 | P | 80.3 | Confident | 89.5 | Confident | 129 Ų | 129 | 52.7 Ų | 52.7 | 84% | 0.838 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -68.4 | -3.5 | 172.8 | 28.3 | -34.1 | 0 | 0 | 0 | 112.8 | R214 | P212-R214 PolarHBondContact O-N 2.88Š|
| 213 | Q | 86.3 | Confident | 89.3 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | trans | -71.8 | 111.8 | 176.1 | -64.9 | -167 | -0.4 | 0 | 0 | 109.9 | T211 R215 | T211-Q213 PolarHBondContact O-N 2.87Å; Q213-R215 PolarHBondContact O-N 3.2Å | ||
| 214 | R | 87.9 | Confident | 89.1 | Confident | 128 Ų | 128 | 58.5 Ų | 58.5 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | trans | -83.3 | 2.3 | 178.5 | -63.3 | -177.7 | 178 | -163.7 | 0.7 | 113.8 | F165 T166 A167 K168 P212 | F165-R214 HydrophobicContact CE2-CG 4.3Å; T166-R214 WeakPolarHBondContact O-CD 3.42Å; A167-R214 CarbonylContact C-O 3.6Å; A167-R214 WeakPolarHBondContact CA-O 3.39Å; K168-R214 HydrophobicContact CB-CB 4Å; K168-R214 HydrophobicContact CD-CB 4.25Å; K168-R214 HydrophobicContact CG-CB 3.83Å; K168-R214 PolarHBondContact N-O 3.05Å; P212-R214 PolarHBondContact O-N 2.88Å | ||
| 215 | R | 89.1 | Confident | 89 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -103.6 | 158.8 | -177.4 | -77.3 | -177.5 | 173.4 | -172.4 | -3 | 110 | K168 Q213 V217 | K168-R215 HydrophobicContact CB-CG 4.41Å; Q213-R215 PolarHBondContact O-N 3.2Å; R215-V217 PolarHBondContact O-N 3.37Å |
| 216 | P | 89.2 | Confident | 89 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | trans | -62.3 | 134.7 | 178.2 | 27.1 | -35.3 | 0 | 0 | 0 | 110.7 | L170 H205 V206 F207 | L170-P216 HydrophobicContact CD1-CG 4.05Å; L170-P216 HydrophobicContact CD2-CG 4.44Å; L170-P216 HydrophobicContact CG-CG 4.06Å; H205-P216 HydrophobicContact CB-CB 3.91Å; V206-P216 CarbonylContact O-C 3.43Å; V206-P216 WeakPolarHBondContact O-CA 3.33Å; F207-P216 HydrophobicContact CD1-CB 4.49Å; F207-P216 HydrophobicContact CE1-CB 4.03Å; F207-P216 HydrophobicContact CE1-CG 4.46Å; F207-P216 HydrophobicContact CZ-CB 4.12Å | ||
| 217 | V | 89.3 | Confident | 89 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -76.4 | -33 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | V206 D208 R215 | V206-V217 PolarHBondContact O-N 3.49Å; D208-V217 HydrophobicContact CB-CG2 3.9Å; R215-V217 PolarHBondContact O-N 3.37Å |
| 218 | L | 90 | Very high | 89 | Confident | 42 Ų | 42 | 66 Ų | 66 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.2 | 176.2 | -176.8 | 73.4 | 0 | 0 | 0 | 109.7 | H205 V206 L253 | H205-L218 WeakPolarHBondContact CA-O 3.43Å; V206-L218 HydrophobicContact CB-CB 3.98Å; V206-L218 HydrophobicContact CG2-CB 3.97Å; V206-L218 HydrophobicContact CG2-CD2 3.94Å; V206-L218 HydrophobicContact CG2-CG 4.47Å; V206-L218 PolarHBondContact N-O 3.48Å; L218-L253 WeakPolarHBondContact CD2-O 3.43Å |
| 219 | E | 91.3 | Very high | 89.1 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.6 | 169.6 | -179.1 | 172.3 | -165.1 | 0 | 0 | 107.7 | L170 Q203 H205 | L170-E219 WeakPolarHBondContact CD2-OE1 3.47Å; L170-E219 VanDerWaalsContact CD2-OE2 3.25Å; L170-E219 WeakPolarHBondContact CD2-OE2 3.3Å; Q203-E219 VanDerWaalsContact CD-OE1 3.29Å; Q203-E219 PolarHBondContact NE2-OE1 2.78Å; H205-E219 IonicContact CE1-OE1 3.16Å |
| 220 | A | 90.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q203 V204 L251 G256 | Q203-A220 CarbonylContact C-O 3.53Å; Q203-A220 WeakPolarHBondContact CA-O 3.49Å; V204-A220 HydrophobicContact CB-CB 4.46Å; V204-A220 PolarHBondContact N-O 2.84Å; V204-A220 PolarHBondContact O-N 3.21Å; A220-L251 HydrophobicContact CB-CD2 3.74Å; A220-G256 WeakPolarHBondContact CB-O 3.11Å |
| 221 | E | 90.8 | Very high | 89.9 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.5 | -178.1 | -75.9 | 175.5 | 178.2 | 0 | 0 | 110.4 | Q203 | Q203-E221 HydrophobicContact CG-CG 3.69Å; Q203-E221 PolarHBondContact NE2-OE1 3.4Å |
| 222 | F | 89.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | trans | -133.6 | 102 | 176.9 | 178.3 | -109.9 | 0 | 0 | 0 | 112.4 | H202 L227 V241 D247 A249 L251 V258 R261 | H202-F222 PolarHBondContact O-N 3Å; F222-L227 HydrophobicContact CD1-CD2 3.91Å; F222-V241 HydrophobicContact CB-CG2 4.35Å; F222-V241 HydrophobicContact CD1-CG2 3.87Å; F222-V241 HydrophobicContact CG-CG2 4.17Å; F222-D247 HydrophobicContact CE1-CB 4.13Å; F222-D247 HydrophobicContact CZ-CB 4.11Å; F222-A249 HydrophobicContact CD1-CB 4.09Å; F222-A249 HydrophobicContact CD2-CB 3.67Å; F222-A249 HydrophobicContact CE1-CB 3.69Å; F222-A249 HydrophobicContact CE2-CB 3.23Å; F222-A249 HydrophobicContact CG-CB 4.1Å; F222-A249 HydrophobicContact CZ-CB 3.26Å; F222-L251 HydrophobicContact CB-CD1 4.37Å; F222-L251 HydrophobicContact CD2-CD1 4.44Å; F222-L251 HydrophobicContact CG-CD1 4.47Å; F222-V258 HydrophobicContact CD2-CG1 4.29Å; F222-V258 HydrophobicContact CD2-CG2 3.92Å; F222-V258 HydrophobicContact CE2-CG1 4.31Å; F222-R261 HydrophobicContact CE2-CG 4.21Å; F222-R261 HydrophobicContact CZ-CG 4.36Å | ||
| 223 | G | 86.4 | Confident | 90.7 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 67 | -162.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H202 | H202-G223 WeakPolarHBondContact CB-O 3.31Š|
| 224 | E | 87.4 | Confident | 90.5 | Very high | 164 Ų | 164 | 50.8 Ų | 50.8 | 77% | 0.766 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -110.2 | -9.9 | -175.2 | -61.7 | 176.6 | 175.9 | 0 | 0 | 112.3 | ||
| 225 | Y | 92.8 | Very high | 90.1 | Very high | 108 Ų | 108 | 47.7 Ų | 47.7 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -96.2 | 149.3 | -173.8 | -60.2 | -66.7 | 0 | 0 | 0 | 112.3 | H202 L227 Q245 | H202-Y225 WeakPolarHBondContact CB-O 3.48Å; Y225-L227 PolarHBondContact O-N 2.77Å; Y225-Q245 HydrophobicContact CD1-CG 3.85Å; Y225-Q245 HydrophobicContact CD2-CB 4.31Å; Y225-Q245 HydrophobicContact CD2-CG 3.75Å; Y225-Q245 HydrophobicContact CE1-CG 3.95Å; Y225-Q245 HydrophobicContact CE2-CG 3.84Å; Y225-Q245 HydrophobicContact CG-CG 3.75Å |
| 226 | P | 92.6 | Very high | 89.7 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 136.3 | 176.7 | -27.6 | 35.6 | 0 | 0 | 0 | 113 | G200 N243 T244 | G200-P226 WeakPolarHBondContact O-CA 3.29Å; G200-P226 WeakPolarHBondContact O-CB 3.32Å; G200-P226 WeakPolarHBondContact O-CG 3.5Å; P226-N243 VanDerWaalsContact O-CA 3.32Å; P226-N243 WeakPolarHBondContact O-CA 3.47Å; P226-N243 WeakPolarHBondContact O-CB 3.27Å; P226-T244 PolarHBondContact O-N 2.91Å; P226-T244 PolarHBondContact O-OG1 2.79Å |
| 227 | L | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.5 | 170.7 | -53.4 | 178.5 | 0 | 0 | 0 | 109.3 | R184 C198 T199 V204 F222 Y225 V241 G242 N243 | R184-L227 WeakPolarHBondContact CB-O 3.44Å; R184-L227 WeakPolarHBondContact CG-O 3.39Å; C198-L227 HydrophobicContact CB-CB 3.99Å; C198-L227 HydrophobicContact CB-CD1 4.23Å; T199-L227 WeakPolarHBondContact O-CB 3.32Å; T199-L227 PolarHBondContact O-N 2.84Å; V204-L227 HydrophobicContact CG2-CD1 3.55Å; F222-L227 HydrophobicContact CD1-CD2 3.91Å; Y225-L227 PolarHBondContact O-N 2.77Å; L227-V241 HydrophobicContact CD1-CB 4.41Å; L227-V241 HydrophobicContact CD2-CB 4.46Å; L227-V241 HydrophobicContact CD2-CG2 4.4Å; L227-G242 WeakPolarHBondContact CA-O 3.03Å; L227-N243 HydrophobicContact CD2-CB 4.35Å |
| 228 | T | 93.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -33 | -172.8 | 49 | 0 | 0 | 0 | 0 | 113 | G242 T244 V269 | T228-G242 PolarHBondContact N-O 2.94Å; T228-G242 PolarHBondContact OG1-O 3.41Å; T228-T244 WeakPolarHBondContact CG2-OG1 3.41Å; T228-V269 VanDerWaalsContact CB-O 3.22Å; T228-V269 WeakPolarHBondContact CB-O 3.22Å; T228-V269 PolarHBondContact OG1-O 3.26Å |
| 229 | A | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 151.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G242 V269 L272 | A229-G242 PolarHBondContact O-N 2.73Å; A229-V269 HydrophobicContact CB-CG1 4.44Å; A229-L272 HydrophobicContact CB-CB 4.28Å; A229-L272 HydrophobicContact CB-CD1 4.08Å; A229-L272 HydrophobicContact CB-CG 4.1Å |
| 230 | L | 94.9 | Very high | 90 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.3 | 178.6 | -179.4 | 145.5 | 0 | 0 | 0 | 110.2 | D185 V196 C198 L232 V239 V240 | D185-L230 HydrophobicContact CB-CB 3.9Å; D185-L230 PolarHBondContact OD2-N 3.39Å; V196-L230 HydrophobicContact CB-CD1 4.17Å; V196-L230 HydrophobicContact CG1-CD1 3.67Å; C198-L230 HydrophobicContact CB-CB 4.31Å; C198-L230 HydrophobicContact CB-CD1 4.23Å; C198-L230 WeakPolarHBondContact SG-CD1 3.39Å; L230-L232 HydrophobicContact CD2-CG 4.18Å; L230-V239 HydrophobicContact CD1-CG2 3.58Å; L230-V239 HydrophobicContact CD2-CG2 3.97Å; L230-V239 HydrophobicContact CG-CG2 3.51Å; L230-V240 WeakPolarHBondContact CA-O 3.28Å |
| 231 | A | 93.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 34 Ų | 34 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V239 V240 L272 | A231-V239 WeakPolarHBondContact O-CG2 3.39Å; A231-V240 PolarHBondContact N-O 3.35Å; A231-V240 PolarHBondContact O-N 2.92Å; A231-L272 HydrophobicContact CB-CB 3.83Å |
| 232 | L | 92.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.8 | 177.9 | -73.5 | 162.8 | 0 | 0 | 0 | 110.9 | F188 I189 V196 L230 V239 L253 C274 | F188-L232 WeakPolarHBondContact O-CD1 3.34Å; I189-L232 HydrophobicContact CG1-CD1 4.24Å; I189-L232 HydrophobicContact CG1-CD2 4.21Å; V196-L232 HydrophobicContact CG2-CD2 4Å; L230-L232 HydrophobicContact CD2-CG 4.18Å; L232-V239 HydrophobicContact CD2-CB 3.89Å; L232-V239 HydrophobicContact CD2-CG2 3.86Å; L232-V239 HydrophobicContact CG-CG2 4.43Å; L232-L253 HydrophobicContact CD2-CD1 3.87Å; L232-C274 WeakPolarHBondContact O-CB 3.41Å; L232-C274 PolarHBondContact O-SG 3.25Å |
| 233 | T | 89.9 | Confident | 90.6 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | trans | -76.2 | 151.6 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 111 | G235 G236 A238 V240 L295 | T233-G235 PolarHBondContact O-N 3.38Å; T233-G236 PolarHBondContact O-N 3Å; T233-A238 HydrophobicContact CG2-CB 3.95Å; T233-A238 WeakPolarHBondContact CG2-O 3.42Å; T233-A238 PolarHBondContact N-O 3.03Å; T233-A238 VanDerWaalsContact N-O 3.1Å; T233-A238 PolarHBondContact OG1-N 3Å; T233-A238 PolarHBondContact OG1-O 2.59Å; T233-V240 HydrophobicContact CG2-CG2 4.36Å; T233-L295 HydrophobicContact CG2-CD1 3.67Å | ||
| 234 | A | 81.6 | Confident | 90.9 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 35% | 0.347 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -40.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G236 A276 | A234-G236 VanDerWaalsContact C-N 3.27Å; A234-G236 PolarHBondContact O-N 3.18Å; A234-A276 WeakPolarHBondContact CB-O 3.49Å |
| 235 | G | 79.4 | Confident | 91.1 | Very high | 63 Ų | 63 | 27.2 Ų | 27.2 | 65% | 0.649 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 8.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T233 G237 | T233-G235 PolarHBondContact O-N 3.38Å; G235-G237 PolarHBondContact O-N 3.18Å |
| 236 | G | 81.2 | Confident | 90.9 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 66.1 | -11.2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.9 | I189 T233 A234 | I189-G236 WeakPolarHBondContact CG2-O 3.35Å; T233-G236 PolarHBondContact O-N 3Å; A234-G236 VanDerWaalsContact C-N 3.27Å; A234-G236 PolarHBondContact O-N 3.18Å |
| 237 | G | 86.1 | Confident | 90.9 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -85.4 | -11.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G235 L253 | G235-G237 PolarHBondContact O-N 3.18Å; G237-L253 PolarHBondContact O-N 2.95Å |
| 238 | A | 91.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T233 V250 L251 | T233-A238 HydrophobicContact CG2-CB 3.95Å; T233-A238 WeakPolarHBondContact CG2-O 3.42Å; T233-A238 PolarHBondContact N-O 3.03Å; T233-A238 VanDerWaalsContact N-O 3.1Å; T233-A238 PolarHBondContact OG1-N 3Å; T233-A238 PolarHBondContact OG1-O 2.59Å; A238-V250 HydrophobicContact CB-CG1 4.15Å; A238-L251 CarbonylContact C-O 3.55Å; A238-L251 WeakPolarHBondContact CA-O 3.19Å; A238-L251 WeakPolarHBondContact CB-O 3.38Å |
| 239 | V | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.6 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | V196 L230 A231 L232 V241 V250 L251 L253 | V196-V239 HydrophobicContact CG1-CG2 4.4Å; L230-V239 HydrophobicContact CD1-CG2 3.58Å; L230-V239 HydrophobicContact CD2-CG2 3.97Å; L230-V239 HydrophobicContact CG-CG2 3.51Å; A231-V239 WeakPolarHBondContact O-CG2 3.39Å; L232-V239 HydrophobicContact CD2-CB 3.89Å; L232-V239 HydrophobicContact CD2-CG2 3.86Å; L232-V239 HydrophobicContact CG-CG2 4.43Å; V239-V241 HydrophobicContact CG1-CG1 4.34Å; V239-V241 HydrophobicContact CG2-CG1 4.23Å; V239-V250 CarbonylContact O-C 3.18Å; V239-V250 WeakPolarHBondContact O-CA 3.41Å; V239-L251 HydrophobicContact CG1-CB 3.72Å; V239-L251 PolarHBondContact N-O 3.32Å; V239-L251 PolarHBondContact O-N 2.82Å; V239-L253 HydrophobicContact CB-CD1 4.29Å; V239-L253 HydrophobicContact CB-CD2 4.07Å; V239-L253 HydrophobicContact CB-CG 4.27Å; V239-L253 HydrophobicContact CG1-CD2 3.65Å; V239-L253 HydrophobicContact CG1-CG 4.18Å |
| 240 | V | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.5 | 172.1 | -169 | 0 | 0 | 0 | 0 | 108.7 | L230 A231 T233 V248 A249 V250 L272 V281 L295 | L230-V240 WeakPolarHBondContact CA-O 3.28Å; A231-V240 PolarHBondContact N-O 3.35Å; A231-V240 PolarHBondContact O-N 2.92Å; T233-V240 HydrophobicContact CG2-CG2 4.36Å; V240-V248 HydrophobicContact CG1-CG1 3.38Å; V240-A249 CarbonylContact C-O 3.58Å; V240-A249 VanDerWaalsContact CA-O 3.28Å; V240-A249 WeakPolarHBondContact CA-O 3.49Å; V240-V250 HydrophobicContact CG2-CG2 4.25Å; V240-L272 HydrophobicContact CG1-CD1 4.3Å; V240-V281 HydrophobicContact CB-CG2 4.4Å; V240-V281 HydrophobicContact CG1-CG2 4.15Å; V240-V281 HydrophobicContact CG2-CG2 4.32Å; V240-L295 HydrophobicContact CG2-CD2 3.77Å |
| 241 | V | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143.4 | -179.1 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | C198 V204 F222 L227 V239 V248 A249 L251 | C198-V241 WeakPolarHBondContact SG-CG1 3.17Å; V204-V241 HydrophobicContact CG2-CG1 3.92Å; F222-V241 HydrophobicContact CB-CG2 4.35Å; F222-V241 HydrophobicContact CD1-CG2 3.87Å; F222-V241 HydrophobicContact CG-CG2 4.17Å; L227-V241 HydrophobicContact CD1-CB 4.41Å; L227-V241 HydrophobicContact CD2-CB 4.46Å; L227-V241 HydrophobicContact CD2-CG2 4.4Å; V239-V241 HydrophobicContact CG1-CG1 4.34Å; V239-V241 HydrophobicContact CG2-CG1 4.23Å; V241-V248 CarbonylContact O-C 3.58Å; V241-V248 VanDerWaalsContact O-CA 3.29Å; V241-V248 WeakPolarHBondContact O-CA 3.42Å; V241-A249 HydrophobicContact CG2-CB 4.27Å; V241-A249 PolarHBondContact N-O 2.79Å; V241-A249 PolarHBondContact O-N 2.83Å; V241-L251 HydrophobicContact CG2-CD1 4.01Å |
| 242 | G | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L227 T228 A229 D247 L272 | L227-G242 WeakPolarHBondContact CA-O 3.03Å; T228-G242 PolarHBondContact N-O 2.94Å; T228-G242 PolarHBondContact OG1-O 3.41Å; A229-G242 PolarHBondContact O-N 2.73Å; G242-D247 WeakPolarHBondContact CA-O 3.18Å; G242-L272 VanDerWaalsContact N-CD1 3.35Å |
| 243 | N | 94 | Very high | 90.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 176.5 | 179 | 77.7 | 7.9 | 0 | 0 | 0 | 113.3 | P226 L227 Q245 G246 D247 V269 | P226-N243 VanDerWaalsContact O-CA 3.32Å; P226-N243 WeakPolarHBondContact O-CA 3.47Å; P226-N243 WeakPolarHBondContact O-CB 3.27Å; L227-N243 HydrophobicContact CD2-CB 4.35Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.03Å; N243-Q245 WeakPolarHBondContact OD1-CA 2.95Å; N243-Q245 PolarHBondContact OD1-N 2.99Å; N243-G246 PolarHBondContact OD1-N 2.94Å; N243-D247 PolarHBondContact N-O 2.88Å; N243-D247 VanDerWaalsContact ND2-CB 3.32Å; N243-D247 WeakPolarHBondContact ND2-CB 3.4Å; N243-D247 PolarHBondContact ND2-OD2 3.49Å; N243-D247 PolarHBondContact OD1-N 2.9Å; N243-D247 PolarHBondContact OD1-O 3.28Å; N243-V269 PolarHBondContact O-N 3.07Å; N243-V269 VanDerWaalsContact O-N 3.07Å |
| 244 | T | 92.8 | Very high | 90.5 | Very high | 60 Ų | 60 | 30.4 Ų | 30.4 | 37% | 0.368 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.7 | 177.1 | -52.3 | 0 | 0 | 0 | 0 | 114.5 | P226 T228 G268 | P226-T244 PolarHBondContact O-N 2.91Å; P226-T244 PolarHBondContact O-OG1 2.79Å; T228-T244 WeakPolarHBondContact CG2-OG1 3.41Å; T244-G268 VanDerWaalsContact C-CA 3.44Å; T244-G268 WeakPolarHBondContact O-CA 3.46Å; T244-G268 PolarHBondContact O-N 3.33Å; T244-G268 VanDerWaalsContact O-N 3.14Å |
| 245 | Q | 90.4 | Very high | 90.7 | Very high | 107 Ų | 107 | 35.7 Ų | 35.7 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -12.6 | 179.8 | -65.5 | -58.3 | -31.5 | 0 | 0 | 113.7 | Y225 N243 G267 | Y225-Q245 HydrophobicContact CD1-CG 3.85Å; Y225-Q245 HydrophobicContact CD2-CB 4.31Å; Y225-Q245 HydrophobicContact CD2-CG 3.75Å; Y225-Q245 HydrophobicContact CE1-CG 3.95Å; Y225-Q245 HydrophobicContact CE2-CG 3.84Å; Y225-Q245 HydrophobicContact CG-CG 3.75Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.03Å; N243-Q245 WeakPolarHBondContact OD1-CA 2.95Å; N243-Q245 PolarHBondContact OD1-N 2.99Å; Q245-G267 PolarHBondContact O-N 2.87Å |
| 246 | G | 89.4 | Confident | 91 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 104 | 2.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N243 V248 A265 G267 | N243-G246 PolarHBondContact OD1-N 2.94Å; G246-V248 PolarHBondContact O-N 2.87Å; G246-A265 WeakPolarHBondContact O-CB 3.34Å; G246-G267 WeakPolarHBondContact CA-O 3.44Å; G246-G267 PolarHBondContact N-O 3.02Å |
| 247 | D | 92.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 32% | 0.316 | 19% | 0.192 | S | C | . | . | trans | -71.4 | 131.4 | 169.4 | -54.5 | -66.7 | 0 | 0 | 0 | 109.9 | F222 G242 N243 | F222-D247 HydrophobicContact CE1-CB 4.13Å; F222-D247 HydrophobicContact CZ-CB 4.11Å; G242-D247 WeakPolarHBondContact CA-O 3.18Å; N243-D247 PolarHBondContact N-O 2.88Å; N243-D247 VanDerWaalsContact ND2-CB 3.32Å; N243-D247 WeakPolarHBondContact ND2-CB 3.4Å; N243-D247 PolarHBondContact ND2-OD2 3.49Å; N243-D247 PolarHBondContact OD1-N 2.9Å; N243-D247 PolarHBondContact OD1-O 3.28Å | ||
| 248 | V | 94.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.7 | 170.9 | -179 | 0 | 0 | 0 | 0 | 107.9 | V240 V241 G246 R261 L262 V269 L272 | V240-V248 HydrophobicContact CG1-CG1 3.38Å; V241-V248 CarbonylContact O-C 3.58Å; V241-V248 VanDerWaalsContact O-CA 3.29Å; V241-V248 WeakPolarHBondContact O-CA 3.42Å; G246-V248 PolarHBondContact O-N 2.87Å; V248-R261 CarbonylContact O-C 3.59Å; V248-R261 WeakPolarHBondContact O-CA 3.2Å; V248-L262 HydrophobicContact CB-CB 4.14Å; V248-L262 HydrophobicContact CG1-CB 4.32Å; V248-L262 HydrophobicContact CG1-CD1 3.86Å; V248-L262 HydrophobicContact CG1-CG 4.42Å; V248-L262 PolarHBondContact O-N 3.05Å; V248-V269 HydrophobicContact CG2-CG2 3.72Å; V248-L272 HydrophobicContact CG1-CD1 4.38Å; V248-L272 HydrophobicContact CG1-CD2 4.14Å; V248-L272 HydrophobicContact CG2-CD2 4.35Å |
| 249 | A | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F222 V240 V241 L251 V258 G260 R261 | F222-A249 HydrophobicContact CD1-CB 4.09Å; F222-A249 HydrophobicContact CD2-CB 3.67Å; F222-A249 HydrophobicContact CE1-CB 3.69Å; F222-A249 HydrophobicContact CE2-CB 3.23Å; F222-A249 HydrophobicContact CG-CB 4.1Å; F222-A249 HydrophobicContact CZ-CB 3.26Å; V240-A249 CarbonylContact C-O 3.58Å; V240-A249 VanDerWaalsContact CA-O 3.28Å; V240-A249 WeakPolarHBondContact CA-O 3.49Å; V241-A249 HydrophobicContact CG2-CB 4.27Å; V241-A249 PolarHBondContact N-O 2.79Å; V241-A249 PolarHBondContact O-N 2.83Å; A249-L251 HydrophobicContact CB-CD1 4.21Å; A249-V258 HydrophobicContact CB-CG1 4.17Å; A249-G260 CarbonylContact C-O 3.43Å; A249-G260 WeakPolarHBondContact CA-O 3.49Å; A249-R261 HydrophobicContact CB-CG 4.3Å |
| 250 | V | 94.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.7 | 174.2 | -172.5 | 0 | 0 | 0 | 0 | 107.7 | A238 V239 V240 R259 G260 L262 L295 | A238-V250 HydrophobicContact CB-CG1 4.15Å; V239-V250 CarbonylContact O-C 3.18Å; V239-V250 WeakPolarHBondContact O-CA 3.41Å; V240-V250 HydrophobicContact CG2-CG2 4.25Å; V250-R259 PolarHBondContact O-N 2.83Å; V250-G260 PolarHBondContact N-O 2.84Å; V250-G260 PolarHBondContact O-N 3.32Å; V250-L262 HydrophobicContact CG2-CD1 4.45Å; V250-L262 HydrophobicContact CG2-CG 4.44Å; V250-L295 HydrophobicContact CG2-CD2 3.91Å |
| 251 | L | 93.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.4 | 175.1 | -91.1 | 68.6 | 0 | 0 | 0 | 110.3 | V204 A220 F222 A238 V239 V241 A249 L257 V258 | V204-L251 HydrophobicContact CB-CD2 4.46Å; V204-L251 HydrophobicContact CG2-CD2 4.16Å; A220-L251 HydrophobicContact CB-CD2 3.74Å; F222-L251 HydrophobicContact CB-CD1 4.37Å; F222-L251 HydrophobicContact CD2-CD1 4.44Å; F222-L251 HydrophobicContact CG-CD1 4.47Å; A238-L251 CarbonylContact C-O 3.55Å; A238-L251 WeakPolarHBondContact CA-O 3.19Å; A238-L251 WeakPolarHBondContact CB-O 3.38Å; V239-L251 HydrophobicContact CG1-CB 3.72Å; V239-L251 PolarHBondContact N-O 3.32Å; V239-L251 PolarHBondContact O-N 2.82Å; V241-L251 HydrophobicContact CG2-CD1 4.01Å; A249-L251 HydrophobicContact CB-CD1 4.21Å; L251-L257 WeakPolarHBondContact CA-O 3.28Å; L251-V258 HydrophobicContact CD1-CB 4.31Å; L251-V258 HydrophobicContact CD1-CG1 4.27Å; L251-V258 HydrophobicContact CD1-CG2 3.83Å; L251-V258 HydrophobicContact CG-CG2 4.16Å |
| 252 | D | 92.2 | Very high | 90.9 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.9 | 169.6 | -169.6 | -29.2 | 0 | 0 | 0 | 109.5 | R254 G256 L257 | D252-R254 VanDerWaalsContact C-N 3.28Å; D252-R254 PolarHBondContact O-N 3.06Å; D252-R254 WeakPolarHBondContact OD1-CB 3.47Å; D252-R254 PolarHBondContact OD1-N 3.17Å; D252-R254 IonicContact OD1-NE 2.72Å; D252-R254 IonicContact OD2-NH2 2.77Å; D252-G256 WeakPolarHBondContact O-CA 3.33Å; D252-G256 PolarHBondContact O-N 2.96Å; D252-L257 PolarHBondContact N-O 2.92Å; D252-L257 PolarHBondContact O-N 2.94Å |
| 253 | L | 88.3 | Confident | 90.5 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.3 | -176 | -66.7 | 172.7 | 0 | 0 | 0 | 113.1 | I189 V196 V206 L218 L232 G237 V239 | I189-L253 HydrophobicContact CD1-CD1 3.71Å; I189-L253 HydrophobicContact CG1-CD1 4.22Å; V196-L253 HydrophobicContact CG1-CD2 4.27Å; V196-L253 HydrophobicContact CG2-CD1 3.98Å; V196-L253 HydrophobicContact CG2-CD2 4.03Å; V206-L253 HydrophobicContact CG2-CD2 3.86Å; L218-L253 WeakPolarHBondContact CD2-O 3.43Å; L232-L253 HydrophobicContact CD2-CD1 3.87Å; G237-L253 PolarHBondContact O-N 2.95Å; V239-L253 HydrophobicContact CB-CD1 4.29Å; V239-L253 HydrophobicContact CB-CD2 4.07Å; V239-L253 HydrophobicContact CB-CG 4.27Å; V239-L253 HydrophobicContact CG1-CD2 3.65Å; V239-L253 HydrophobicContact CG1-CG 4.18Å |
| 254 | R | 87 | Confident | 90 | Very high | 196 Ų | 196 | 65.6 Ų | 65.6 | 74% | 0.74 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -34.8 | 177 | -69.2 | 176.2 | -69.9 | 172.6 | -6 | 112.3 | D252 | D252-R254 VanDerWaalsContact C-N 3.28Å; D252-R254 PolarHBondContact O-N 3.06Å; D252-R254 WeakPolarHBondContact OD1-CB 3.47Å; D252-R254 PolarHBondContact OD1-N 3.17Å; D252-R254 IonicContact OD1-NE 2.72Å; D252-R254 IonicContact OD2-NH2 2.77Å |
| 255 | K | 85.9 | Confident | 89.6 | Confident | 152 Ų | 152 | 63.9 Ų | 63.9 | 66% | 0.661 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -16.3 | -176.2 | -63 | -174.5 | 179.9 | -177.8 | 0 | 113.3 | L257 | K255-L257 HydrophobicContact CB-CB 4.28Å; K255-L257 HydrophobicContact CB-CD1 3.96Å; K255-L257 HydrophobicContact CB-CG 3.98Å; K255-L257 HydrophobicContact CD-CD1 4.22Å; K255-L257 PolarHBondContact O-N 2.86Å |
| 256 | G | 86.8 | Confident | 89.3 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 24.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A220 D252 | A220-G256 WeakPolarHBondContact CB-O 3.11Å; D252-G256 WeakPolarHBondContact O-CA 3.33Å; D252-G256 PolarHBondContact O-N 2.96Å |
| 257 | L | 89.6 | Confident | 89.3 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.5 | -175.3 | -67.6 | 174.8 | 0 | 0 | 0 | 111.6 | L251 D252 K255 R259 | L251-L257 WeakPolarHBondContact CA-O 3.28Å; D252-L257 PolarHBondContact N-O 2.92Å; D252-L257 PolarHBondContact O-N 2.94Å; K255-L257 HydrophobicContact CB-CB 4.28Å; K255-L257 HydrophobicContact CB-CD1 3.96Å; K255-L257 HydrophobicContact CB-CG 3.98Å; K255-L257 HydrophobicContact CD-CD1 4.22Å; K255-L257 PolarHBondContact O-N 2.86Å; L257-R259 PolarHBondContact O-N 2.81Å |
| 258 | V | 91.3 | Very high | 89.2 | Confident | 63 Ų | 63 | 61 Ų | 61 | 38% | 0.382 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 113.5 | 173.6 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | F222 A249 L251 | F222-V258 HydrophobicContact CD2-CG1 4.29Å; F222-V258 HydrophobicContact CD2-CG2 3.92Å; F222-V258 HydrophobicContact CE2-CG1 4.31Å; A249-V258 HydrophobicContact CB-CG1 4.17Å; L251-V258 HydrophobicContact CD1-CB 4.31Å; L251-V258 HydrophobicContact CD1-CG1 4.27Å; L251-V258 HydrophobicContact CD1-CG2 3.83Å; L251-V258 HydrophobicContact CG-CG2 4.16Å |
| 259 | R | 88.7 | Confident | 89.2 | Confident | 171 Ų | 171 | 61 Ų | 61 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -29.2 | 179.2 | -163.4 | 176.2 | 178.1 | 164.3 | -3.3 | 112.2 | V250 L257 R298 | V250-R259 PolarHBondContact O-N 2.83Å; L257-R259 PolarHBondContact O-N 2.81Å; R259-R298 PolarHBondContact O-NH1 3.18Å |
| 260 | G | 87.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 165.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A249 V250 | A249-G260 CarbonylContact C-O 3.43Å; A249-G260 WeakPolarHBondContact CA-O 3.49Å; V250-G260 PolarHBondContact N-O 2.84Å; V250-G260 PolarHBondContact O-N 3.32Å |
| 261 | R | 91.3 | Very high | 89.1 | Confident | 131 Ų | 131 | 65 Ų | 65 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140 | 173.5 | -63.2 | -174.9 | -176.1 | -146.6 | 1.1 | 110.2 | F222 V248 A249 | F222-R261 HydrophobicContact CE2-CG 4.21Å; F222-R261 HydrophobicContact CZ-CG 4.36Å; V248-R261 CarbonylContact O-C 3.59Å; V248-R261 WeakPolarHBondContact O-CA 3.2Å; A249-R261 HydrophobicContact CB-CG 4.3Å |
| 262 | L | 91 | Very high | 89.1 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.9 | 172.6 | -57.8 | 176.5 | 0 | 0 | 0 | 108.1 | V248 V250 V281 H293 R298 | V248-L262 HydrophobicContact CB-CB 4.14Å; V248-L262 HydrophobicContact CG1-CB 4.32Å; V248-L262 HydrophobicContact CG1-CD1 3.86Å; V248-L262 HydrophobicContact CG1-CG 4.42Å; V248-L262 PolarHBondContact O-N 3.05Å; V250-L262 HydrophobicContact CG2-CD1 4.45Å; V250-L262 HydrophobicContact CG2-CG 4.44Å; L262-V281 HydrophobicContact CD1-CG1 3.5Å; L262-V281 VanDerWaalsContact CD1-CG1 3.5Å; L262-H293 HydrophobicContact CD1-CB 4.09Å; L262-H293 HydrophobicContact CD2-CB 4.24Å; L262-R298 HydrophobicContact CD2-CB 3.68Å; L262-R298 HydrophobicContact CD2-CG 3.87Å |
| 263 | K | 86.4 | Confident | 89.2 | Confident | 182 Ų | 182 | 66.7 Ų | 66.7 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | trans | -89.2 | 158.3 | -178.2 | -65.8 | -175.6 | 178.4 | -178.1 | 0 | 111.4 | H293 | K263-H293 PolarHBondContact O-NE2 3.31Å; K263-H293 VanDerWaalsContact O-NE2 3.16Å | ||
| 264 | G | 82.1 | Confident | 89.3 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | trans | 114.5 | -9.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R291 | G264-R291 PolarHBondContact O-NE 2.93Å; G264-R291 PolarHBondContact O-NH2 3.08Å | ||
| 265 | A | 85.2 | Confident | 89.4 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | trans | -79.8 | 136.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G246 | G246-A265 WeakPolarHBondContact O-CB 3.34Š| ||
| 266 | A | 85.1 | Confident | 89.3 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 67% | 0.669 | 30% | 0.299 | S | S | * | . | trans | -130.8 | 67.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D287 | A266-D287 PolarHBondContact N-OD2 2.97Å; A266-D287 WeakPolarHBondContact O-CB 3.15Å | ||
| 267 | G | 87.9 | Confident | 89.1 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 142.3 | 161.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q245 G246 V269 | Q245-G267 PolarHBondContact O-N 2.87Å; G246-G267 WeakPolarHBondContact CA-O 3.44Å; G246-G267 PolarHBondContact N-O 3.02Å; G267-V269 PolarHBondContact O-N 3.29Å |
| 268 | G | 90.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | trans | -56.4 | 128.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | T244 G285 L286 | T244-G268 VanDerWaalsContact C-CA 3.44Å; T244-G268 WeakPolarHBondContact O-CA 3.46Å; T244-G268 PolarHBondContact O-N 3.33Å; T244-G268 VanDerWaalsContact O-N 3.14Å; G268-G285 WeakPolarHBondContact O-CA 3.25Å; G268-L286 PolarHBondContact O-N 3Å | ||
| 269 | V | 94.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 125.8 | 177.1 | -171.9 | 0 | 0 | 0 | 0 | 108 | T228 A229 N243 V248 G267 L272 | T228-V269 VanDerWaalsContact CB-O 3.22Å; T228-V269 WeakPolarHBondContact CB-O 3.22Å; T228-V269 PolarHBondContact OG1-O 3.26Å; A229-V269 HydrophobicContact CB-CG1 4.44Å; N243-V269 PolarHBondContact O-N 3.07Å; N243-V269 VanDerWaalsContact O-N 3.07Å; V248-V269 HydrophobicContact CG2-CG2 3.72Å; G267-V269 PolarHBondContact O-N 3.29Å; V269-L272 HydrophobicContact CG1-CD1 4.17Å; V269-L272 HydrophobicContact CG1-CD2 3.98Å; V269-L272 HydrophobicContact CG1-CG 3.73Å |
| 270 | R | 92.8 | Very high | 88.9 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -34.9 | -179.2 | -75.9 | -173.8 | 165.7 | -126.4 | 1.2 | 112.6 | C284 L286 L310 | R270-C284 PolarHBondContact N-O 3.37Å; R270-L286 VanDerWaalsContact NE-CD2 3.3Å; R270-L310 WeakPolarHBondContact CD-O 3.31Å |
| 271 | A | 92.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C284 L313 | A271-C284 PolarHBondContact N-O 2.82Å; A271-C284 PolarHBondContact O-N 3.14Å; A271-C284 VanDerWaalsContact O-N 3.09Å; A271-L313 HydrophobicContact CB-CB 4.15Å |
| 272 | L | 94.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.8 | 173.8 | -73.6 | 167.4 | 0 | 0 | 0 | 107.8 | A229 A231 V240 G242 V248 V269 V281 A282 S283 | A229-L272 HydrophobicContact CB-CB 4.28Å; A229-L272 HydrophobicContact CB-CD1 4.08Å; A229-L272 HydrophobicContact CB-CG 4.1Å; A231-L272 HydrophobicContact CB-CB 3.83Å; V240-L272 HydrophobicContact CG1-CD1 4.3Å; G242-L272 VanDerWaalsContact N-CD1 3.35Å; V248-L272 HydrophobicContact CG1-CD1 4.38Å; V248-L272 HydrophobicContact CG1-CD2 4.14Å; V248-L272 HydrophobicContact CG2-CD2 4.35Å; V269-L272 HydrophobicContact CG1-CD1 4.17Å; V269-L272 HydrophobicContact CG1-CD2 3.98Å; V269-L272 HydrophobicContact CG1-CG 3.73Å; L272-V281 HydrophobicContact CD2-CG2 4.25Å; L272-A282 WeakPolarHBondContact CA-O 3.38Å; L272-S283 VanDerWaalsContact CD2-CB 3.48Å |
| 273 | Q | 93.3 | Very high | 89.3 | Confident | 49 Ų | 49 | 38.2 Ų | 38.2 | 23% | 0.229 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 135 | 168.3 | -169.7 | 176.3 | -6.4 | 0 | 0 | 110 | A282 L313 L315 | Q273-A282 PolarHBondContact N-O 3.06Å; Q273-A282 PolarHBondContact O-N 2.96Å; Q273-L313 HydrophobicContact CB-CD2 3.57Å; Q273-L313 PolarHBondContact OE1-O 2.81Å; Q273-L315 HydrophobicContact CB-CD1 4.36Å; Q273-L315 HydrophobicContact CB-CG 4.49Å; Q273-L315 HydrophobicContact CG-CD1 4.36Å; Q273-L315 HydrophobicContact CG-CG 4.48Å |
| 274 | C | 91.6 | Very high | 89.6 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 151.2 | 169.7 | -60.1 | 0 | 0 | 0 | 0 | 110 | L232 L280 | L232-C274 WeakPolarHBondContact O-CB 3.41Å; L232-C274 PolarHBondContact O-SG 3.25Å; C274-L280 CarbonylContact C-O 3.54Å; C274-L280 VanDerWaalsContact CA-O 3.26Å; C274-L280 WeakPolarHBondContact CA-O 3.4Å |
| 275 | H | 89.6 | Confident | 90 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | trans | -67.8 | 146.7 | 171.4 | -167.5 | -98.3 | 0 | 0 | 0 | 110.3 | S277 Q278 L280 L315 A316 S317 R318 | H275-S277 PolarHBondContact CE1-OG 2.68Å; H275-S277 PolarHBondContact ND1-N 3.22Å; H275-S277 PolarHBondContact ND1-OG 3.47Å; H275-S277 PolarHBondContact O-N 3.26Å; H275-Q278 HydrophobicContact CB-CB 4.2Å; H275-Q278 WeakPolarHBondContact ND1-CB 3.42Å; H275-Q278 PolarHBondContact ND1-N 2.75Å; H275-L280 HydrophobicContact CB-CB 4.01Å; H275-L280 PolarHBondContact N-O 3.15Å; H275-L315 HydrophobicContact CB-CD1 4.44Å; H275-A316 PolarHBondContact CD2-O 3.41Å; H275-A316 PolarHBondContact NE2-O 3.37Å; H275-S317 PolarHBondContact CE1-O 3.45Å; H275-S317 PolarHBondContact NE2-O 3.49Å; H275-R318 PolarHBondContact NE2-O 2.79Å | ||
| 276 | A | 83.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 29.5 Ų | 29.5 | 63% | 0.628 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -69.3 | -32.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A234 | A234-A276 WeakPolarHBondContact CB-O 3.49Š|
| 277 | S | 83.4 | Confident | 90.6 | Very high | 76 Ų | 76 | 26.6 Ų | 26.6 | 53% | 0.531 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -118.5 | -20.9 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | H275 | H275-S277 PolarHBondContact CE1-OG 2.68Å; H275-S277 PolarHBondContact ND1-N 3.22Å; H275-S277 PolarHBondContact ND1-OG 3.47Å; H275-S277 PolarHBondContact O-N 3.26Å |
| 278 | Q | 85.4 | Confident | 90.8 | Very high | 41 Ų | 41 | 31 Ų | 31 | 19% | 0.192 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -110.8 | 151.2 | -171.7 | -65.4 | -177.2 | -4.3 | 0 | 0 | 109.5 | H275 L280 L320 | H275-Q278 HydrophobicContact CB-CB 4.2Å; H275-Q278 WeakPolarHBondContact ND1-CB 3.42Å; H275-Q278 PolarHBondContact ND1-N 2.75Å; Q278-L280 HydrophobicContact CB-CD1 4.34Å; Q278-L280 HydrophobicContact CB-CG 4.08Å; Q278-L280 PolarHBondContact O-N 2.8Å; Q278-L320 PolarHBondContact NE2-O 2.77Å; Q278-L320 PolarHBondContact OE1-O 3.04Å |
| 279 | P | 88.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 34% | 0.344 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -77.3 | 54.4 | 177.7 | 34.5 | -37.1 | 0 | 0 | 0 | 111 | L295 E296 | P279-L295 HydrophobicContact CB-CB 4.18Å; P279-L295 WeakPolarHBondContact O-CB 3.32Å; P279-L295 PolarHBondContact O-N 3.18Å; P279-E296 HydrophobicContact CB-CG 3.95Å; P279-E296 HydrophobicContact CG-CG 3.99Å |
| 280 | L | 90.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.4 | 179.4 | -62 | -176.6 | 0 | 0 | 0 | 110.3 | C274 H275 Q278 V292 H293 L301 L320 | C274-L280 CarbonylContact C-O 3.54Å; C274-L280 VanDerWaalsContact CA-O 3.26Å; C274-L280 WeakPolarHBondContact CA-O 3.4Å; H275-L280 HydrophobicContact CB-CB 4.01Å; H275-L280 PolarHBondContact N-O 3.15Å; Q278-L280 HydrophobicContact CB-CD1 4.34Å; Q278-L280 HydrophobicContact CB-CG 4.08Å; Q278-L280 PolarHBondContact O-N 2.8Å; L280-V292 HydrophobicContact CB-CG1 4.4Å; L280-H293 WeakPolarHBondContact CA-O 3.38Å; L280-L301 HydrophobicContact CD2-CD1 3.35Å; L280-L320 HydrophobicContact CD1-CB 3.92Å; L280-L320 HydrophobicContact CD1-CD1 3.79Å; L280-L320 HydrophobicContact CD1-CG 4.49Å |
| 281 | V | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132 | 169.7 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | V240 L262 L272 V292 H293 L295 | V240-V281 HydrophobicContact CB-CG2 4.4Å; V240-V281 HydrophobicContact CG1-CG2 4.15Å; V240-V281 HydrophobicContact CG2-CG2 4.32Å; L262-V281 HydrophobicContact CD1-CG1 3.5Å; L262-V281 VanDerWaalsContact CD1-CG1 3.5Å; L272-V281 HydrophobicContact CD2-CG2 4.25Å; V281-V292 CarbonylContact O-C 3.54Å; V281-V292 WeakPolarHBondContact O-CA 3.35Å; V281-H293 HydrophobicContact CG1-CB 3.94Å; V281-H293 PolarHBondContact N-O 2.87Å; V281-H293 PolarHBondContact O-N 2.98Å; V281-L295 HydrophobicContact CB-CD2 3.98Å; V281-L295 HydrophobicContact CB-CG 4.32Å; V281-L295 HydrophobicContact CG1-CD2 3.63Å; V281-L295 HydrophobicContact CG1-CG 4.21Å |
| 282 | A | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L272 Q273 L290 R291 V292 L313 L315 | L272-A282 WeakPolarHBondContact CA-O 3.38Å; Q273-A282 PolarHBondContact N-O 3.06Å; Q273-A282 PolarHBondContact O-N 2.96Å; A282-L290 HydrophobicContact CB-CD1 4.33Å; A282-R291 CarbonylContact C-O 3.51Å; A282-R291 VanDerWaalsContact CA-O 3.3Å; A282-R291 WeakPolarHBondContact CA-O 3.37Å; A282-V292 HydrophobicContact CB-CG2 4.16Å; A282-L313 HydrophobicContact CB-CD1 3.76Å; A282-L313 HydrophobicContact CB-CD2 3.77Å; A282-L313 HydrophobicContact CB-CG 4.43Å; A282-L315 HydrophobicContact CB-CD1 3.82Å; A282-L315 HydrophobicContact CB-CD2 3.8Å; A282-L315 HydrophobicContact CB-CG 4.05Å |
| 283 | S | 93.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 139 | -178 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | L272 R291 | L272-S283 VanDerWaalsContact CD2-CB 3.48Å; S283-R291 PolarHBondContact N-O 2.87Å; S283-R291 PolarHBondContact O-N 2.87Å; S283-R291 PolarHBondContact OG-O 2.74Å |
| 284 | C | 92.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.9 | 171.9 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | L12 R270 A271 L310 L313 | L12-C284 HydrophobicContact CD2-CB 4.34Å; R270-C284 PolarHBondContact N-O 3.37Å; A271-C284 PolarHBondContact N-O 2.82Å; A271-C284 PolarHBondContact O-N 3.14Å; A271-C284 VanDerWaalsContact O-N 3.09Å; C284-L310 HydrophobicContact CB-CB 3.9Å; C284-L310 HydrophobicContact CB-CD1 3.83Å; C284-L313 HydrophobicContact CB-CD1 4.01Å |
| 285 | G | 90.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -157.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | G268 D287 L310 | G268-G285 WeakPolarHBondContact O-CA 3.25Å; G285-D287 PolarHBondContact O-N 3.44Å; G285-L310 PolarHBondContact O-N 3.12Å |
| 286 | L | 91.6 | Very high | 90.1 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 37% | 0.366 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.4 | 178.9 | -71.5 | 174.7 | 0 | 0 | 0 | 113.7 | G268 R270 R288 | G268-L286 PolarHBondContact O-N 3Å; R270-L286 VanDerWaalsContact NE-CD2 3.3Å; L286-R288 PolarHBondContact O-N 2.84Å |
| 287 | D | 90.2 | Very high | 90.2 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.7 | -177.6 | 68.6 | 0.9 | 0 | 0 | 0 | 114 | A266 G285 F289 R291 | A266-D287 PolarHBondContact N-OD2 2.97Å; A266-D287 WeakPolarHBondContact O-CB 3.15Å; G285-D287 PolarHBondContact O-N 3.44Å; D287-F289 HydrophobicContact CB-CD2 4.44Å; D287-F289 WeakPolarHBondContact O-CD2 3.36Å; D287-F289 PolarHBondContact O-N 2.78Å; D287-F289 PolarHBondContact OD1-N 2.78Å; D287-R291 IonicContact OD1-NH1 3.09Å; D287-R291 PolarHBondContact OD1-NH1 2.93Å; D287-R291 IonicContact OD2-CZ 2.71Å; D287-R291 IonicContact OD2-NH1 3.98Å; D287-R291 PolarHBondContact OD2-NH1 2.91Å; D287-R291 IonicContact OD2-NH2 3.61Å; D287-R291 PolarHBondContact OD2-NH2 2.85Å |
| 288 | R | 91.6 | Very high | 90.3 | Very high | 114 Ų | 114 | 39 Ų | 39 | 43% | 0.43 | 19% | 0.185 | S | C | . | . | trans | 67.1 | 16.9 | 175.3 | -46.6 | 173.6 | -74.8 | -152.4 | -2.5 | 114 | L286 Y305 L306 S308 R309 | L286-R288 PolarHBondContact O-N 2.84Å; R288-Y305 HydrophobicContact CB-CD2 4.41Å; R288-Y305 HydrophobicContact CB-CE2 3.87Å; R288-L306 PolarHBondContact O-N 3.09Å; R288-S308 WeakPolarHBondContact CA-O 3.5Å; R288-S308 VanDerWaalsContact CB-O 3.31Å; R288-S308 WeakPolarHBondContact CB-O 3.37Å; R288-S308 WeakPolarHBondContact CG-O 3.4Å; R288-R309 HydrophobicContact CG-CG 4.08Å | ||
| 289 | F | 92 | Very high | 90.4 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140.2 | 174.7 | -73 | -89 | 0 | 0 | 0 | 110.5 | D287 R291 R303 V304 Y305 | D287-F289 HydrophobicContact CB-CD2 4.44Å; D287-F289 WeakPolarHBondContact O-CD2 3.36Å; D287-F289 PolarHBondContact O-N 2.78Å; D287-F289 PolarHBondContact OD1-N 2.78Å; F289-R291 VanDerWaalsContact CB-NH1 3.3Å; F289-R303 HydrophobicContact CD1-CG 3.85Å; F289-R303 HydrophobicContact CE1-CG 4.33Å; F289-V304 CarbonylContact C-O 3.53Å; F289-V304 WeakPolarHBondContact CA-O 3.33Å; F289-Y305 HydrophobicContact CD1-CD2 4.01Å; F289-Y305 HydrophobicContact CD1-CG 4.44Å; F289-Y305 HydrophobicContact CD2-CD2 4.11Å; F289-Y305 AromaticContact CE1-CD2 3.66Å; F289-Y305 HydrophobicContact CE1-CD2 3.66Å; F289-Y305 AromaticContact CE1-CG 3.97Å; F289-Y305 HydrophobicContact CE1-CG 3.97Å; F289-Y305 AromaticContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CE2 4.16Å; F289-Y305 HydrophobicContact CG-CD2 4.22Å; F289-Y305 AromaticContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CD2 3.48Å; F289-Y305 VanDerWaalsContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CE2 4.2Å; F289-Y305 HydrophobicContact CZ-CG 4.12Å |
| 290 | L | 92.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128 | 158.1 | 171.9 | 68.1 | 0 | 0 | 0 | 107.5 | V10 L12 V22 L24 A282 R303 V304 L306 L313 | V10-L290 HydrophobicContact CB-CD2 4.08Å; V10-L290 HydrophobicContact CG1-CD1 4.11Å; V10-L290 HydrophobicContact CG1-CD2 3.91Å; V10-L290 HydrophobicContact CG2-CD2 4.19Å; L12-L290 HydrophobicContact CD1-CB 4.17Å; L12-L290 HydrophobicContact CD1-CD1 4.37Å; L12-L290 HydrophobicContact CD1-CD2 4.16Å; L12-L290 HydrophobicContact CD1-CG 4.46Å; L12-L290 HydrophobicContact CD2-CD1 4.19Å; V22-L290 HydrophobicContact CB-CD2 4.06Å; V22-L290 HydrophobicContact CG1-CD2 4.01Å; V22-L290 HydrophobicContact CG2-CD2 4.05Å; L24-L290 HydrophobicContact CD2-CD2 4.42Å; A282-L290 HydrophobicContact CB-CD1 4.33Å; L290-R303 WeakPolarHBondContact O-CA 3.46Å; L290-V304 HydrophobicContact CB-CB 4.43Å; L290-V304 PolarHBondContact N-O 3.2Å; L290-V304 PolarHBondContact O-N 3.38Å; L290-L306 HydrophobicContact CB-CD1 3.68Å; L290-L313 HydrophobicContact CD1-CD1 3.48Å; L290-L313 VanDerWaalsContact CD1-CD1 3.48Å |
| 291 | R | 91.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 6% | 0.06 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.1 | 170.6 | -66 | 177.5 | -168.7 | 74.9 | -7.1 | 110.7 | G264 A282 S283 D287 F289 H302 R303 | G264-R291 PolarHBondContact O-NE 2.93Å; G264-R291 PolarHBondContact O-NH2 3.08Å; A282-R291 CarbonylContact C-O 3.51Å; A282-R291 VanDerWaalsContact CA-O 3.3Å; A282-R291 WeakPolarHBondContact CA-O 3.37Å; S283-R291 PolarHBondContact N-O 2.87Å; S283-R291 PolarHBondContact O-N 2.87Å; S283-R291 PolarHBondContact OG-O 2.74Å; D287-R291 IonicContact OD1-NH1 3.09Å; D287-R291 PolarHBondContact OD1-NH1 2.93Å; D287-R291 IonicContact OD2-CZ 2.71Å; D287-R291 IonicContact OD2-NH1 3.98Å; D287-R291 PolarHBondContact OD2-NH1 2.91Å; D287-R291 IonicContact OD2-NH2 3.61Å; D287-R291 PolarHBondContact OD2-NH2 2.85Å; F289-R291 VanDerWaalsContact CB-NH1 3.3Å; R291-H302 VanDerWaalsContact CA-O 3.31Å; R291-H302 WeakPolarHBondContact CA-O 3.08Å; R291-R303 HydrophobicContact CG-CG 4.3Å |
| 292 | V | 92.6 | Very high | 90 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.1 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | L24 L280 V281 A282 L301 H302 | L24-V292 HydrophobicContact CD1-CG2 4.04Å; L24-V292 HydrophobicContact CD2-CG2 4.09Å; L280-V292 HydrophobicContact CB-CG1 4.4Å; V281-V292 CarbonylContact O-C 3.54Å; V281-V292 WeakPolarHBondContact O-CA 3.35Å; A282-V292 HydrophobicContact CB-CG2 4.16Å; V292-L301 PolarHBondContact O-N 2.87Å; V292-H302 HydrophobicContact CB-CB 4.15Å; V292-H302 HydrophobicContact CG2-CB 4.33Å; V292-H302 PolarHBondContact N-O 2.84Å; V292-H302 PolarHBondContact O-N 2.8Å |
| 293 | H | 92.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145.2 | -179.3 | -61.7 | 81.9 | 0 | 0 | 0 | 110.2 | L262 K263 L280 V281 R299 | L262-H293 HydrophobicContact CD1-CB 4.09Å; L262-H293 HydrophobicContact CD2-CB 4.24Å; K263-H293 PolarHBondContact O-NE2 3.31Å; K263-H293 VanDerWaalsContact O-NE2 3.16Å; L280-H293 WeakPolarHBondContact CA-O 3.38Å; V281-H293 HydrophobicContact CG1-CB 3.94Å; V281-H293 PolarHBondContact N-O 2.87Å; V281-H293 PolarHBondContact O-N 2.98Å; H293-R299 WeakPolarHBondContact CA-O 3.39Å |
| 294 | S | 91.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.6 | 164.7 | 171.1 | 0 | 0 | 0 | 0 | 109.3 | E296 R298 R299 | S294-E296 PolarHBondContact OG-N 3.24Å; S294-R298 WeakPolarHBondContact O-CA 3.25Å; S294-R298 PolarHBondContact O-N 2.84Å; S294-R299 PolarHBondContact N-O 3.18Å |
| 295 | L | 87.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -25.3 | 178.6 | -68.4 | 172.6 | 0 | 0 | 0 | 112.5 | T233 V240 V250 P279 V281 | T233-L295 HydrophobicContact CG2-CD1 3.67Å; V240-L295 HydrophobicContact CG2-CD2 3.77Å; V250-L295 HydrophobicContact CG2-CD2 3.91Å; P279-L295 HydrophobicContact CB-CB 4.18Å; P279-L295 WeakPolarHBondContact O-CB 3.32Å; P279-L295 PolarHBondContact O-N 3.18Å; V281-L295 HydrophobicContact CB-CD2 3.98Å; V281-L295 HydrophobicContact CB-CG 4.32Å; V281-L295 HydrophobicContact CG1-CD2 3.63Å; V281-L295 HydrophobicContact CG1-CG 4.21Å |
| 296 | E | 86.5 | Confident | 89.6 | Confident | 146 Ų | 146 | 65.2 Ų | 65.2 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -55.5 | 178.2 | -65.6 | -179.4 | 169.6 | 0 | 0 | 110.4 | P279 S294 | P279-E296 HydrophobicContact CB-CG 3.95Å; P279-E296 HydrophobicContact CG-CG 3.99Å; S294-E296 PolarHBondContact OG-N 3.24Å |
| 297 | D | 83.8 | Confident | 89.4 | Confident | 102 Ų | 102 | 70 Ų | 70 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15.1 | -176.6 | -67.7 | -37 | 0 | 0 | 0 | 113.4 | R299 | D297-R299 HydrophobicContact CB-CB 4.26Å; D297-R299 HydrophobicContact CB-CG 3.96Å; D297-R299 PolarHBondContact O-N 2.85Å; D297-R299 VanDerWaalsContact O-N 3.14Å |
| 298 | R | 86.2 | Confident | 89.2 | Confident | 128 Ų | 128 | 70 Ų | 70 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | trans | 59.2 | 18.3 | -173.4 | -61.4 | 171.7 | -69.9 | -176.4 | 2.8 | 113.6 | R259 L262 S294 | R259-R298 PolarHBondContact O-NH1 3.18Å; L262-R298 HydrophobicContact CD2-CB 3.68Å; L262-R298 HydrophobicContact CD2-CG 3.87Å; S294-R298 WeakPolarHBondContact O-CA 3.25Å; S294-R298 PolarHBondContact O-N 2.84Å | ||
| 299 | R | 87.7 | Confident | 89.1 | Confident | 173 Ų | 173 | 69.4 Ų | 69.4 | 65% | 0.653 | 31% | 0.309 | S | S | * | . | trans | -87.9 | 142.3 | 179.8 | -68.3 | 177.4 | -177.2 | -171.1 | 0.9 | 110.7 | H293 S294 D297 L301 | H293-R299 WeakPolarHBondContact CA-O 3.39Å; S294-R299 PolarHBondContact N-O 3.18Å; D297-R299 HydrophobicContact CB-CB 4.26Å; D297-R299 HydrophobicContact CB-CG 3.96Å; D297-R299 PolarHBondContact O-N 2.85Å; D297-R299 VanDerWaalsContact O-N 3.14Å; R299-L301 PolarHBondContact O-N 3.3Å | ||
| 300 | P | 88.4 | Confident | 89.1 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.6 | 169.2 | 30.1 | -32 | 0 | 0 | 0 | 109.6 | ||
| 301 | L | 88.9 | Confident | 89 | Confident | 71 Ų | 71 | 67 Ų | 67 | 37% | 0.372 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -46.3 | 175.1 | -64.2 | 176.8 | 0 | 0 | 0 | 111.2 | L280 V292 R299 | L280-L301 HydrophobicContact CD2-CD1 3.35Å; V292-L301 PolarHBondContact O-N 2.87Å; R299-L301 PolarHBondContact O-N 3.3Å |
| 302 | H | 86.9 | Confident | 88.9 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141 | -177.8 | -60.2 | -92.5 | 0 | 0 | 0 | 110.9 | L24 R291 V292 | L24-H302 HydrophobicContact CD2-CB 3.88Å; L24-H302 PolarHBondContact O-CE1 3.48Å; R291-H302 VanDerWaalsContact CA-O 3.31Å; R291-H302 WeakPolarHBondContact CA-O 3.08Å; V292-H302 HydrophobicContact CB-CB 4.15Å; V292-H302 HydrophobicContact CG2-CB 4.33Å; V292-H302 PolarHBondContact N-O 2.84Å; V292-H302 PolarHBondContact O-N 2.8Å |
| 303 | R | 91.1 | Very high | 88.9 | Confident | 188 Ų | 188 | 67 Ų | 67 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 111.1 | 171.2 | -176.5 | 177.2 | 75.9 | 172.3 | 3.5 | 108.1 | F289 L290 R291 | F289-R303 HydrophobicContact CD1-CG 3.85Å; F289-R303 HydrophobicContact CE1-CG 4.33Å; L290-R303 WeakPolarHBondContact O-CA 3.46Å; R291-R303 HydrophobicContact CG-CG 4.3Å |
| 304 | V | 90.8 | Very high | 88.8 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.9 | -176.6 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V22 F289 L290 L306 | V22-V304 HydrophobicContact CG1-CG1 4.23Å; V22-V304 HydrophobicContact CG1-CG2 4.23Å; F289-V304 CarbonylContact C-O 3.53Å; F289-V304 WeakPolarHBondContact CA-O 3.33Å; L290-V304 HydrophobicContact CB-CB 4.43Å; L290-V304 PolarHBondContact N-O 3.2Å; L290-V304 PolarHBondContact O-N 3.38Å; V304-L306 HydrophobicContact CG1-CD2 4.11Å; V304-L306 HydrophobicContact CG1-CG 4.36Å |
| 305 | Y | 91.1 | Very high | 88.7 | Confident | 103 Ų | 103 | 67.2 Ų | 67.2 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.7 | 176.3 | -176.6 | -121.7 | 0 | 0 | 0 | 110.7 | R288 F289 K307 | R288-Y305 HydrophobicContact CB-CD2 4.41Å; R288-Y305 HydrophobicContact CB-CE2 3.87Å; F289-Y305 HydrophobicContact CD1-CD2 4.01Å; F289-Y305 HydrophobicContact CD1-CG 4.44Å; F289-Y305 HydrophobicContact CD2-CD2 4.11Å; F289-Y305 AromaticContact CE1-CD2 3.66Å; F289-Y305 HydrophobicContact CE1-CD2 3.66Å; F289-Y305 AromaticContact CE1-CG 3.97Å; F289-Y305 HydrophobicContact CE1-CG 3.97Å; F289-Y305 AromaticContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CD2 3.73Å; F289-Y305 HydrophobicContact CE2-CE2 4.16Å; F289-Y305 HydrophobicContact CG-CD2 4.22Å; F289-Y305 AromaticContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CD2 3.48Å; F289-Y305 VanDerWaalsContact CZ-CD2 3.48Å; F289-Y305 HydrophobicContact CZ-CE2 4.2Å; F289-Y305 HydrophobicContact CZ-CG 4.12Å; Y305-K307 HydrophobicContact CD1-CG 3.84Å; Y305-K307 HydrophobicContact CE1-CB 4.2Å; Y305-K307 HydrophobicContact CE1-CG 3.43Å; Y305-K307 VanDerWaalsContact CE1-CG 3.43Å |
| 306 | L | 87.3 | Confident | 88.7 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -115.8 | 5.8 | -171.1 | -67.8 | 167.5 | 0 | 0 | 0 | 113.7 | L12 K20 V22 A29 R288 L290 V304 S308 L310 | L12-L306 HydrophobicContact CD1-CD1 3.14Å; K20-L306 HydrophobicContact CD-CB 4.47Å; K20-L306 HydrophobicContact CD-CD2 4.4Å; K20-L306 PolarHBondContact NZ-O 3.44Å; V22-L306 HydrophobicContact CG2-CD1 4.27Å; V22-L306 HydrophobicContact CG2-CD2 3.83Å; A29-L306 HydrophobicContact CB-CD2 3.2Å; R288-L306 PolarHBondContact O-N 3.09Å; L290-L306 HydrophobicContact CB-CD1 3.68Å; V304-L306 HydrophobicContact CG1-CD2 4.11Å; V304-L306 HydrophobicContact CG1-CG 4.36Å; L306-S308 PolarHBondContact O-N 3.02Å; L306-S308 PolarHBondContact O-OG 3.19Å; L306-L310 HydrophobicContact CB-CD1 4.37Å; L306-L310 HydrophobicContact CB-CD2 4.42Å; L306-L310 HydrophobicContact CD1-CD1 3.53Å; L306-L310 HydrophobicContact CD1-CD2 4.25Å; L306-L310 HydrophobicContact CD1-CG 4.49Å | ||
| 307 | K | 87.1 | Confident | 88.2 | Confident | 171 Ų | 171 | 61.9 Ų | 61.9 | 74% | 0.743 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 59.6 | -11.8 | 176.3 | -61.2 | 179.1 | 178 | -174.4 | 0 | 116.4 | Y305 | Y305-K307 HydrophobicContact CD1-CG 3.84Å; Y305-K307 HydrophobicContact CE1-CB 4.2Å; Y305-K307 HydrophobicContact CE1-CG 3.43Å; Y305-K307 VanDerWaalsContact CE1-CG 3.43Å |
| 308 | S | 86.6 | Confident | 87.7 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -123.7 | 151.8 | -179.1 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | K20 R288 L306 | K20-S308 WeakPolarHBondContact CE-OG 3.44Å; K20-S308 PolarHBondContact NZ-OG 2.73Å; R288-S308 WeakPolarHBondContact CA-O 3.5Å; R288-S308 VanDerWaalsContact CB-O 3.31Å; R288-S308 WeakPolarHBondContact CB-O 3.37Å; R288-S308 WeakPolarHBondContact CG-O 3.4Å; L306-S308 PolarHBondContact O-N 3.02Å; L306-S308 PolarHBondContact O-OG 3.19Å |
| 309 | R | 89.8 | Confident | 86.5 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | trans | -70.1 | 130.8 | 171 | -64.9 | -176.8 | -63.4 | -163.3 | 3.3 | 109.3 | S14 E15 R288 | S14-R309 WeakPolarHBondContact CA-O 3.5Å; E15-R309 PolarHBondContact N-O 3.2Å; E15-R309 IonicContact OE1-CZ 2.64Å; E15-R309 IonicContact OE1-NH2 3.4Å; E15-R309 PolarHBondContact OE1-NH2 3.48Å; E15-R309 IonicContact OE2-CZ 2.81Å; E15-R309 IonicContact OE2-NE 3.72Å; E15-R309 PolarHBondContact OE2-NE 3.37Å; E15-R309 IonicContact OE2-NH2 3.25Å; E15-R309 PolarHBondContact OE2-NH2 3.25Å; R288-R309 HydrophobicContact CG-CG 4.08Å | ||
| 310 | L | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.6 | -173.4 | -56.6 | 169.2 | 0 | 0 | 0 | 109.4 | L12 G13 R270 C284 G285 L306 | L12-L310 HydrophobicContact CB-CD2 4.22Å; L12-L310 HydrophobicContact CD1-CD1 4.17Å; G13-L310 WeakPolarHBondContact O-CA 3.46Å; R270-L310 WeakPolarHBondContact CD-O 3.31Å; C284-L310 HydrophobicContact CB-CB 3.9Å; C284-L310 HydrophobicContact CB-CD1 3.83Å; G285-L310 PolarHBondContact O-N 3.12Å; L306-L310 HydrophobicContact CB-CD1 4.37Å; L306-L310 HydrophobicContact CB-CD2 4.42Å; L306-L310 HydrophobicContact CD1-CD1 3.53Å; L306-L310 HydrophobicContact CD1-CD2 4.25Å; L306-L310 HydrophobicContact CD1-CG 4.49Å |
| 311 | T | 90 | Very high | 83.4 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -41.6 | -171.4 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | G13 E15 E43 V44 | G13-T311 PolarHBondContact O-N 3.36Å; G13-T311 PolarHBondContact O-OG1 2.85Å; G13-T311 VanDerWaalsContact O-OG1 3.13Å; E15-T311 HydrophobicContact CB-CG2 4.14Å; E43-T311 HydrophobicContact CG-CG2 4.11Å; E43-T311 WeakPolarHBondContact OE1-CG2 3.36Å; V44-T311 WeakPolarHBondContact O-CB 3.39Å; V44-T311 PolarHBondContact O-OG1 3.43Å |
| 312 | C | 89.7 | Confident | 81.1 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 158.3 | -176.7 | 50.9 | 0 | 0 | 0 | 0 | 111 | G13 L47 | G13-C312 PolarHBondContact N-O 3.33Å; G13-C312 VanDerWaalsContact N-O 3.1Å; L47-C312 HydrophobicContact CD1-CB 4.24Å; L47-C312 WeakPolarHBondContact CD1-SG 3.44Å; L47-C312 HydrophobicContact CG-CB 4.33Å; L47-C312 VanDerWaalsContact CG-SG 3.51Å |
| 313 | L | 92.6 | Very high | 78.6 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.1 | -174.5 | -174.1 | 151.5 | 0 | 0 | 0 | 109.4 | V10 L12 A271 Q273 A282 C284 L290 L315 | V10-L313 HydrophobicContact CG1-CD1 4.48Å; V10-L313 HydrophobicContact CG1-CD2 4.44Å; V10-L313 HydrophobicContact CG1-CG 4.18Å; L12-L313 HydrophobicContact CD2-CB 3.76Å; L12-L313 HydrophobicContact CD2-CD1 3.62Å; L12-L313 HydrophobicContact CD2-CG 3.53Å; A271-L313 HydrophobicContact CB-CB 4.15Å; Q273-L313 HydrophobicContact CB-CD2 3.57Å; Q273-L313 PolarHBondContact OE1-O 2.81Å; A282-L313 HydrophobicContact CB-CD1 3.76Å; A282-L313 HydrophobicContact CB-CD2 3.77Å; A282-L313 HydrophobicContact CB-CG 4.43Å; C284-L313 HydrophobicContact CB-CD1 4.01Å; L290-L313 HydrophobicContact CD1-CD1 3.48Å; L290-L313 VanDerWaalsContact CD1-CD1 3.48Å; L313-L315 HydrophobicContact CD2-CD2 4.35Å; L313-L315 HydrophobicContact CD2-CG 3.92Å |
| 314 | L | 91.2 | Very high | 75.9 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 120 | 174.7 | -166.8 | 67.7 | 0 | 0 | 0 | 110.8 | W11 L47 W49 L57 | W11-L314 HydrophobicContact CB-CB 4.26Å; W11-L314 PolarHBondContact N-O 3.47Å; W11-L314 PolarHBondContact O-N 2.8Å; L47-L314 HydrophobicContact CB-CB 4.26Å; W49-L314 HydrophobicContact CD2-CD2 3.69Å; W49-L314 HydrophobicContact CD2-CG 4.37Å; W49-L314 VanDerWaalsContact CE2-CD2 3.48Å; W49-L314 HydrophobicContact CE3-CD2 4.39Å; W49-L314 HydrophobicContact CG-CD1 4.48Å; W49-L314 HydrophobicContact CG-CD2 3.87Å; W49-L314 HydrophobicContact CG-CG 4.45Å; W49-L314 HydrophobicContact CZ2-CD2 4Å; W49-L314 HydrophobicContact CZ2-CG 4.17Å; L57-L314 HydrophobicContact CD2-CD2 3.21Å |
| 315 | L | 89.6 | Confident | 73.1 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.4 | 171.5 | -68 | 175.1 | 0 | 0 | 0 | 110.6 | V10 W49 Q273 H275 A282 L313 | V10-L315 HydrophobicContact CB-CD2 4.11Å; V10-L315 HydrophobicContact CG1-CD2 3.86Å; V10-L315 HydrophobicContact CG2-CD2 3.46Å; V10-L315 VanDerWaalsContact CG2-CD2 3.46Å; W49-L315 PolarHBondContact NE1-O 3.14Å; W49-L315 VanDerWaalsContact NE1-O 3.09Å; Q273-L315 HydrophobicContact CB-CD1 4.36Å; Q273-L315 HydrophobicContact CB-CG 4.49Å; Q273-L315 HydrophobicContact CG-CD1 4.36Å; Q273-L315 HydrophobicContact CG-CG 4.48Å; H275-L315 HydrophobicContact CB-CD1 4.44Å; A282-L315 HydrophobicContact CB-CD1 3.82Å; A282-L315 HydrophobicContact CB-CD2 3.8Å; A282-L315 HydrophobicContact CB-CG 4.05Å; L313-L315 HydrophobicContact CD2-CD2 4.35Å; L313-L315 HydrophobicContact CD2-CG 3.92Å |
| 316 | A | 85.6 | Confident | 70.2 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | trans | -72.2 | 148.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S9 W49 E54 H275 R318 | S9-A316 WeakPolarHBondContact O-CB 3.13Å; S9-A316 PolarHBondContact O-N 2.78Å; W49-A316 HydrophobicContact CZ2-CB 4.03Å; E54-A316 VanDerWaalsContact OE2-CA 3.24Å; E54-A316 WeakPolarHBondContact OE2-CA 3.38Å; E54-A316 VanDerWaalsContact OE2-CB 3.28Å; E54-A316 WeakPolarHBondContact OE2-CB 3.39Å; H275-A316 PolarHBondContact CD2-O 3.41Å; H275-A316 PolarHBondContact NE2-O 3.37Å; A316-R318 VanDerWaalsContact C-N 3.28Å | ||
| 317 | S | 77.5 | Confident | 67.2 | Low | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -79.1 | -12 | 177.4 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | E54 H275 E319 | E54-S317 VanDerWaalsContact CD-N 3.29Å; E54-S317 WeakPolarHBondContact OE1-CA 3.32Å; E54-S317 WeakPolarHBondContact OE1-CB 3.45Å; E54-S317 PolarHBondContact OE1-N 2.83Å; E54-S317 PolarHBondContact OE1-OG 3.18Å; E54-S317 PolarHBondContact OE2-N 3.37Å; E54-S317 PolarHBondContact OE2-OG 3.07Å; H275-S317 PolarHBondContact CE1-O 3.45Å; H275-S317 PolarHBondContact NE2-O 3.49Å; S317-E319 PolarHBondContact O-N 3.41Å |
| 318 | R | 73 | Confident | 64.7 | Low | 186 Ų | 186 | 62.4 Ų | 62.4 | 70% | 0.702 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -54.9 | 129.6 | 174.8 | -170.1 | 175.8 | -174.8 | 178.1 | 2.2 | 109.4 | H275 A316 L320 | H275-R318 PolarHBondContact NE2-O 2.79Å; A316-R318 VanDerWaalsContact C-N 3.28Å; R318-L320 PolarHBondContact O-N 3.02Å |
| 319 | E | 60.8 | Low | 61.9 | Low | 149 Ų | 149 | 67.9 Ų | 67.9 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | trans | -50 | 114.3 | 179.1 | -70.7 | -175.2 | 173.8 | 0 | 0 | 110.6 | S317 Q321 | S317-E319 PolarHBondContact O-N 3.41Å; E319-Q321 PolarHBondContact O-N 3.28Å | ||
| 320 | L | 60.2 | Low | 59.5 | Low | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 46% | 0.461 | C | S | . | . | trans | -70.1 | 110.2 | 167.1 | -74.3 | 159.7 | 0 | 0 | 0 | 105.8 | S9 L24 Q278 L280 R318 A322 | S9-L320 WeakPolarHBondContact OG-CD2 3.37Å; L24-L320 HydrophobicContact CB-CD2 4.03Å; L24-L320 HydrophobicContact CD1-CD1 4.05Å; L24-L320 HydrophobicContact CD1-CD2 3.34Å; L24-L320 HydrophobicContact CD1-CG 4.34Å; L24-L320 HydrophobicContact CG-CD2 4.19Å; Q278-L320 PolarHBondContact NE2-O 2.77Å; Q278-L320 PolarHBondContact OE1-O 3.04Å; L280-L320 HydrophobicContact CD1-CB 3.92Å; L280-L320 HydrophobicContact CD1-CD1 3.79Å; L280-L320 HydrophobicContact CD1-CG 4.49Å; R318-L320 PolarHBondContact O-N 3.02Å; L320-A322 PolarHBondContact O-N 3.29Å | ||
| 321 | Q | 51.3 | Low | 56.8 | Low | 158 Ų | 158 | 75.6 Ų | 75.6 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | trans | -62.2 | 112.6 | 166.9 | -71.1 | -161.7 | -4.4 | 0 | 0 | 106.4 | E319 G323 | E319-Q321 PolarHBondContact O-N 3.28Å; Q321-G323 VanDerWaalsContact C-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.42Å | ||
| 322 | A | 39.8 | Very low | 53.8 | Low | 75 Ų | 75 | 79.8 Ų | 79.8 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | trans | -59.2 | 102.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | L320 | L320-A322 PolarHBondContact O-N 3.29Š| ||
| 323 | G | 35.2 | Very low | 50.8 | Low | 47 Ų | 47 | 88.2 Ų | 88.2 | 49% | 0.485 | 57% | 0.572 | S | S | . | * | trans | -51.5 | 142.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q321 G325 | Q321-G323 VanDerWaalsContact C-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.42Å; G323-G325 PolarHBondContact O-N 3.04Å | ||
| 324 | P | 34.5 | Very low | 47.9 | Very low | 130 Ų | 130 | 92.5 Ų | 92.5 | 84% | 0.844 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -58.1 | 138.6 | -177.7 | 25.7 | -32 | 0 | 0 | 0 | 109.1 | ||
| 325 | G | 31.8 | Very low | 45.1 | Very low | 73 Ų | 73 | 100.7 Ų | 100.7 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -9.4 | 124 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | G323 G327 | G323-G325 PolarHBondContact O-N 3.04Å; G325-G327 PolarHBondContact O-N 3.24Å | ||
| 326 | G | 29.9 | Very low | 42.7 | Very low | 89 Ų | 89 | 104.6 Ų | 104.6 | 92% | 0.918 | 66% | 0.663 | S | S | * | * | trans | -61.2 | 80.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 327 | G | 24.2 | Very low | 40.3 | Very low | 58 Ų | 58 | 111.8 Ų | 111.8 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | trans | -59.9 | 131.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | G325 T329 | G325-G327 PolarHBondContact O-N 3.24Å; G327-T329 PolarHBondContact O-N 2.87Å | ||
| 328 | A | 35.6 | Very low | 38.3 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -55 | 103.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E330 | A328-E330 PolarHBondContact O-N 3.41Š| ||
| 329 | T | 27.3 | Very low | 36.7 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | trans | -84.7 | 93.2 | 156.5 | 50.1 | 0 | 0 | 0 | 0 | 106.2 | G327 | G327-T329 PolarHBondContact O-N 2.87Š| ||
| 330 | E | 37.8 | Very low | 35.8 | Very low | 190 Ų | 190 | 113.6 Ų | 113.6 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | trans | -48.7 | 139.6 | 143.7 | -72.9 | 178.3 | 150.3 | 0 | 0 | 108.4 | A328 | A328-E330 PolarHBondContact O-N 3.41Š| ||
| 331 | G | 34.8 | Very low | 35.1 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | 114 | 69.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 332 | A | 26.9 | Very low | 35.1 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | -158.7 | 77.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 333 | E | 26.7 | Very low | 35.5 | Very low | 180 Ų | 180 | 117 Ų | 117 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | -60.6 | 130.8 | 164 | -68.5 | -173.8 | 150.5 | 0 | 0 | 108.5 | Q335 | E333-Q335 PolarHBondContact O-N 2.82Š| ||
| 334 | P | 32.2 | Very low | 36.3 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -71.6 | 119.5 | 167.3 | 27.3 | -27.6 | 0 | 0 | 0 | 108.3 | V336 | P334-V336 HydrophobicContact CB-CG2 4.31Å; P334-V336 PolarHBondContact O-N 2.85Å | ||
| 335 | Q | 33.6 | Very low | 37.2 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 57.7 | 169.6 | -71.7 | 179 | -39.9 | 0 | 0 | 111.9 | E333 | E333-Q335 PolarHBondContact O-N 2.82Š|
| 336 | V | 38.7 | Very low | 38 | Very low | 88 Ų | 88 | 131 Ų | 131 | 53% | 0.533 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.4 | -6.2 | 177.5 | -172.5 | 0 | 0 | 0 | 0 | 111 | P334 | P334-V336 HydrophobicContact CB-CG2 4.31Å; P334-V336 PolarHBondContact O-N 2.85Å |
| 337 | K | 34.1 | Very low | 38.6 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.5 | -33.4 | 178.3 | -81.9 | -173.9 | 170.7 | -175.4 | 0 | 114.4 | E339 E340 D341 | K337-E339 PolarHBondContact O-N 3.22Å; K337-E340 PolarHBondContact O-N 3.39Å; K337-D341 PolarHBondContact O-N 3.05Å |
| 338 | E | 35.5 | Very low | 39.6 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -70.3 | -31.9 | -174.6 | -67.5 | -177.3 | 163 | 0 | 0 | 112.8 | E342 | E338-E342 PolarHBondContact O-N 2.7Å |
| 339 | E | 39.1 | Very low | 39.8 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -79.1 | -27.1 | 178.2 | -66.9 | -172.7 | 172.1 | 0 | 0 | 113.3 | K337 V343 | K337-E339 PolarHBondContact O-N 3.22Å; E339-V343 VanDerWaalsContact O-CG2 3.31Å; E339-V343 WeakPolarHBondContact O-CG2 3.33Å |
| 340 | E | 42.1 | Very low | 40.3 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 55% | 0.551 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -75.2 | -43.6 | 175.6 | -75.5 | -174.4 | 161.3 | 0 | 0 | 110.5 | K337 E342 V343 W344 | K337-E340 PolarHBondContact O-N 3.39Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.22Å; E340-V343 PolarHBondContact O-N 3.22Å; E340-W344 PolarHBondContact O-N 2.78Å; E340-W344 VanDerWaalsContact O-N 3.15Å |
| 341 | D | 46.5 | Very low | 40.4 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -63.2 | -35.7 | -178.6 | -70.3 | -22 | 0 | 0 | 0 | 112.5 | K337 V343 W344 D345 | K337-D341 PolarHBondContact O-N 3.05Å; D341-V343 VanDerWaalsContact C-N 3.3Å; D341-V343 PolarHBondContact O-N 3.48Å; D341-W344 PolarHBondContact O-N 2.71Å; D341-D345 PolarHBondContact O-N 2.85Å; D341-D345 VanDerWaalsContact O-N 3.13Å |
| 342 | E | 50.1 | Low | 40.4 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -67.1 | -26.6 | 173.6 | -76.2 | -168.6 | 170.8 | 0 | 0 | 114 | E338 E340 R346 | E338-E342 PolarHBondContact O-N 2.7Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.22Å; E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.38Å |
| 343 | V | 49 | Very low | 40.8 | Very low | 90 Ų | 90 | 155.2 Ų | 155.2 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -80 | -35.6 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | E339 E340 D341 R346 | E339-V343 VanDerWaalsContact O-CG2 3.31Å; E339-V343 WeakPolarHBondContact O-CG2 3.33Å; E340-V343 PolarHBondContact O-N 3.22Å; D341-V343 VanDerWaalsContact C-N 3.3Å; D341-V343 PolarHBondContact O-N 3.48Å; V343-R346 PolarHBondContact O-N 3.42Å |
| 344 | W | 52.2 | Low | 41.1 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 71% | 0.705 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -70.4 | -33.7 | 174.8 | -71.4 | 99.6 | 0 | 0 | 0 | 112.6 | E340 D341 R346 M347 | E340-W344 PolarHBondContact O-N 2.78Å; E340-W344 VanDerWaalsContact O-N 3.15Å; D341-W344 PolarHBondContact O-N 2.71Å; W344-R346 VanDerWaalsContact C-N 3.29Å; W344-R346 PolarHBondContact O-N 3.24Å; W344-M347 PolarHBondContact O-N 3.15Å |
| 345 | D | 52.9 | Low | 41.1 | Very low | 151 Ų | 151 | 160.1 Ų | 160.1 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -15.8 | 175.8 | -89.2 | -10.1 | 0 | 0 | 0 | 113.7 | D341 | D341-D345 PolarHBondContact O-N 2.85Å; D341-D345 VanDerWaalsContact O-N 3.13Å |
| 346 | R | 47.8 | Very low | 41.1 | Very low | 207 Ų | 207 | 156.2 Ų | 156.2 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -2.2 | 175.5 | -77.1 | -178.1 | -176.2 | 175 | 8.4 | 114.5 | E342 V343 W344 | E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.38Å; V343-R346 PolarHBondContact O-N 3.42Å; W344-R346 VanDerWaalsContact C-N 3.29Å; W344-R346 PolarHBondContact O-N 3.24Å |
| 347 | M | 42.8 | Very low | 40.7 | Very low | 141 Ų | 141 | 158.5 Ų | 158.5 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -86.6 | 116.7 | 175.9 | -93.3 | -173.7 | 172.8 | 0 | 0 | 111.3 | W344 R349 | W344-M347 PolarHBondContact O-N 3.15Å; M347-R349 PolarHBondContact O-N 2.7Å |
| 348 | E | 45 | Very low | 40.9 | Very low | 189 Ų | 189 | 161 Ų | 161 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 125.1 | 174.4 | -127.9 | 174.1 | -172.1 | 0 | 0 | 110.5 | V350 | E348-V350 PolarHBondContact O-N 2.92Š| ||
| 349 | R | 40.2 | Very low | 40.6 | Very low | 240 Ų | 240 | 165.4 Ų | 165.4 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -76.2 | 112.5 | 178.4 | -127.4 | -177.9 | -175.2 | 111.7 | -1.4 | 108.5 | M347 E351 | M347-R349 PolarHBondContact O-N 2.7Å; R349-E351 PolarHBondContact O-N 2.96Å | ||
| 350 | V | 39.1 | Very low | 40.1 | Very low | 125 Ų | 125 | 167.5 Ų | 167.5 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -76.5 | 114.3 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | E348 | E348-V350 PolarHBondContact O-N 2.92Š| ||
| 351 | E | 38.1 | Very low | 39.6 | Very low | 185 Ų | 185 | 168 Ų | 168 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -79.2 | 112.6 | 166.2 | -67.4 | -172.7 | 159.1 | 0 | 0 | 108.1 | R349 | R349-E351 PolarHBondContact O-N 2.96Š| ||
| 352 | E | 35.9 | Very low | 38.8 | Very low | 181 Ų | 181 | 168 Ų | 168 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -82.9 | 118.6 | 170.1 | -75.1 | -173.7 | 157.1 | 0 | 0 | 109.3 | ||||
| 353 | E | 34.6 | Very low | 38 | Very low | 192 Ų | 192 | 167.2 Ų | 167.2 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -64.8 | 127.9 | 171.4 | -71.3 | -178.2 | 142.1 | 0 | 0 | 110.8 | E355 | E353-E355 PolarHBondContact O-N 2.82Š| ||
| 354 | E | 33.7 | Very low | 37.1 | Very low | 201 Ų | 201 | 166.3 Ų | 166.3 | 94% | 0.939 | 84% | 0.842 | S | S | * | * | trans | -74 | 102.8 | 174.2 | -70.6 | -172.4 | 152.4 | 0 | 0 | 111.4 | ||||
| 355 | E | 31.2 | Very low | 36.1 | Very low | 185 Ų | 185 | 166.5 Ų | 166.5 | 86% | 0.864 | 85% | 0.85 | S | S | * | * | trans | -89.2 | 109.7 | 162.4 | -94.4 | -162.1 | 152.4 | 0 | 0 | 111.6 | E353 T357 | E353-E355 PolarHBondContact O-N 2.82Å; E355-T357 PolarHBondContact O-N 3.12Å | ||
| 356 | A | 35 | Very low | 35.1 | Very low | 104 Ų | 104 | 168.5 Ų | 168.5 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -74.5 | 115.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 357 | T | 30.5 | Very low | 34.3 | Very low | 136 Ų | 136 | 162.3 Ų | 162.3 | 83% | 0.834 | 86% | 0.856 | S | S | * | * | trans | -117 | 114.2 | 164.8 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | E355 | E355-T357 PolarHBondContact O-N 3.12Š| ||
| 358 | K | 36.8 | Very low | 33.7 | Very low | 211 Ų | 211 | 162.3 Ų | 162.3 | 92% | 0.917 | 86% | 0.863 | S | S | * | * | trans | -68 | 127.8 | 174 | -77.7 | 173.3 | 175.1 | 168.9 | 0 | 111.4 | ||||
| 359 | R | 29.1 | Very low | 33.2 | Very low | 247 Ų | 247 | 163 Ų | 163 | 93% | 0.932 | 86% | 0.863 | S | S | * | * | trans | -136.8 | 131.9 | 152.1 | -74.2 | -170.8 | 172 | 179 | -1.6 | 111.4 | ||||
| 360 | K | 30 | Very low | 32.9 | Very low | 203 Ų | 203 | 161.3 Ų | 161.3 | 88% | 0.883 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 154.1 | -175.7 | -71.7 | 176.2 | 173.3 | 178.1 | 0 | 112.7 | ||
| 361 | P | 32 | Very low | 32.7 | Very low | 127 Ų | 127 | 165.1 Ų | 165.1 | 83% | 0.825 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 142.2 | 176.3 | 34 | -30.7 | 0 | 0 | 0 | 112.3 | ||
| 362 | A | 29.6 | Very low | 32.4 | Very low | 103 Ų | 103 | 165.4 Ų | 165.4 | 85% | 0.851 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 141.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 363 | A | 32.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 166.6 Ų | 166.6 | 89% | 0.893 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 151.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 364 | G | 29.4 | Very low | 32 | Very low | 71 Ų | 71 | 161.2 Ų | 161.2 | 73% | 0.732 | 87% | 0.865 | S | S | * | * | trans | 158.2 | 123.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 365 | E | 32.2 | Very low | 32 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 89% | 0.888 | 86% | 0.862 | S | S | * | * | trans | 88 | 83.4 | 153.8 | -58.2 | -171.3 | 161 | 0 | 0 | 119.7 | ||||
| 366 | E | 32.4 | Very low | 32.2 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 90% | 0.897 | 88% | 0.882 | S | S | * | * | 51 | 107.5 | 117.5 | -64.9 | -165.6 | 158.8 | 0 | 0 | 119.9 | |||||
| 367 | G | 29.9 | Very low | 32.1 | Very low | 78 Ų | 78 | 161 Ų | 161 | 80% | 0.804 | 88% | 0.883 | S | S | * | * | trans | -84.5 | 140 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 368 | V | 31.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 162.3 Ų | 162.3 | 86% | 0.855 | 89% | 0.885 | S | S | * | * | trans | -102.2 | 101.5 | 159.3 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 369 | K | 33.9 | Very low | 31.9 | Very low | 202 Ų | 202 | 159.6 Ų | 159.6 | 88% | 0.878 | 88% | 0.884 | S | S | * | * | trans | -84.4 | 108.3 | 171.8 | -83.8 | -178.9 | 176.6 | 173.4 | 0 | 110.5 | ||||
| 370 | K | 32.6 | Very low | 32.1 | Very low | 205 Ų | 205 | 154.4 Ų | 154.4 | 89% | 0.891 | 88% | 0.881 | S | S | * | * | trans | -81.7 | 108.7 | 156.7 | -90.5 | 178.6 | 176.4 | 169.4 | 0 | 109.1 | ||||
| 371 | K | 34.9 | Very low | 32.2 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 89% | 0.891 | 88% | 0.881 | S | S | * | * | trans | -79.2 | 127.8 | 164.8 | -96.7 | -179.3 | 172.8 | 178.7 | 0 | 109.5 | ||||
| 372 | K | 32.8 | Very low | 32.2 | Very low | 191 Ų | 191 | 153 Ų | 153 | 83% | 0.83 | 88% | 0.884 | S | S | * | * | trans | -139.7 | 123.8 | 159.9 | -119.5 | -175.5 | -177 | 177.3 | 0 | 109.6 | ||||
| 373 | K | 32.5 | Very low | 32.4 | Very low | 206 Ų | 206 | 156.6 Ų | 156.6 | 90% | 0.896 | 89% | 0.887 | S | S | * | * | trans | 64 | 143.1 | 156.8 | -62.6 | -177 | 172.5 | -172.5 | 0 | 116.9 | ||||
| 374 | G | 29.8 | Very low | 32.4 | Very low | 79 Ų | 79 | 160.3 Ų | 160.3 | 81% | 0.814 | 89% | 0.886 | S | S | * | * | cis | 173.8 | 175.9 | 4.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 375 | G | 34.1 | Very low | 32.6 | Very low | 83 Ų | 83 | 167.8 Ų | 167.8 | 86% | 0.856 | 90% | 0.899 | S | S | * | * | trans | 111.3 | 84.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 376 | N | 35.2 | Very low | 32.7 | Very low | 241 Ų | 241 | 165.7 Ų | 165.7 | 100% | 1.289 | 90% | 0.9 | S | S | * | * | -161.7 | 0 | 94.1 | -151.6 | 24.7 | 0 | 0 | 0 | 109 |
Retrieved 376 of 376 residues in 99 ms
(Link to these results)