| 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 | 81 | Confident | 92.7 | Very high | 106 Ų | 106 | 13 Ų | 13 | 52% | 0.522 | 7% | 0.07 | S | C | . | . | 0 | 130.9 | 0 | 174.6 | 173.6 | 84.3 | 0 | 0 | 107.6 | V45 R47 P123 | M1-V45 VanDerWaalsContact CG-O 3.3Å; M1-V45 WeakPolarHBondContact CG-O 3.39Å; M1-R47 HydrophobicContact SD-CG 4.23Å; M1-R47 PolarHBondContact SD-NE 3.49Å; M1-P123 WeakPolarHBondContact O-CG 3.39Å | |||
| 2 | T | 89.2 | Confident | 92.5 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | trans | -123.1 | 144.3 | 172.4 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | R39 D46 R47 P123 P232 | T2-R39 PolarHBondContact OG1-NH2 3.16Å; T2-R39 VanDerWaalsContact OG1-NH2 3.14Å; T2-D46 PolarHBondContact N-OD1 3.22Å; T2-D46 WeakPolarHBondContact O-CA 3.44Å; T2-D46 WeakPolarHBondContact O-CB 3.21Å; T2-D46 PolarHBondContact OG1-OD1 3.24Å; T2-D46 PolarHBondContact OG1-OD2 2.87Å; T2-D46 VanDerWaalsContact OG1-OD2 3.14Å; T2-R47 PolarHBondContact O-N 2.83Å; T2-P123 WeakPolarHBondContact CA-O 3.42Å; T2-P123 HydrophobicContact CG2-CB 4.15Å; T2-P123 HydrophobicContact CG2-CG 3.87Å; T2-P232 HydrophobicContact CG2-CB 4.41Å | ||
| 3 | V | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.2 | 173 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | V5 R47 F49 L100 E122 P123 S124 V125 | V3-V5 HydrophobicContact CG1-CG2 4.06Å; V3-R47 HydrophobicContact CG2-CB 4.48Å; V3-F49 HydrophobicContact CG1-CD2 3.79Å; V3-F49 HydrophobicContact CG1-CE2 3.71Å; V3-L100 HydrophobicContact CG1-CD2 3.96Å; V3-E122 HydrophobicContact CG2-CG 4.04Å; V3-P123 PolarHBondContact N-O 3.1Å; V3-S124 CarbonylContact O-C 3.53Å; V3-S124 VanDerWaalsContact O-CA 3.27Å; V3-S124 WeakPolarHBondContact O-CA 3.41Å; V3-V125 PolarHBondContact O-N 3.33Å |
| 4 | I | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117 | -178.4 | -57.4 | -178.5 | 0 | 0 | 0 | 108 | F6 F35 R39 D46 R47 Y48 F49 V125 I127 | I4-F6 HydrophobicContact CG2-CE2 4.07Å; I4-F6 HydrophobicContact CG2-CZ 4.13Å; I4-F35 HydrophobicContact CD1-CE1 3.93Å; I4-F35 HydrophobicContact CD1-CZ 4.32Å; I4-F35 HydrophobicContact CG2-CE1 4.02Å; I4-R39 HydrophobicContact CD1-CG 4.05Å; I4-D46 HydrophobicContact CD1-CB 4.33Å; I4-R47 PolarHBondContact N-O 3.12Å; I4-Y48 HydrophobicContact CB-CD1 3.85Å; I4-Y48 HydrophobicContact CB-CE1 4.02Å; I4-Y48 HydrophobicContact CD1-CD1 4.46Å; I4-Y48 HydrophobicContact CD1-CE1 3.76Å; I4-Y48 HydrophobicContact CG1-CE1 4.38Å; I4-Y48 HydrophobicContact CG2-CD1 4.08Å; I4-Y48 HydrophobicContact CG2-CE1 4.19Å; I4-Y48 CarbonylContact O-C 3.57Å; I4-Y48 VanDerWaalsContact O-CA 3.31Å; I4-Y48 WeakPolarHBondContact O-CA 3.45Å; I4-F49 PolarHBondContact O-N 3.19Å; I4-V125 CarbonylContact C-O 3.38Å; I4-V125 WeakPolarHBondContact CA-O 3.23Å; I4-I127 HydrophobicContact CG2-CD1 4.21Å |
| 5 | V | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.6 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | V3 F49 L51 T96 M99 L100 V125 I126 I127 | V3-V5 HydrophobicContact CG1-CG2 4.06Å; V5-F49 HydrophobicContact CB-CB 4.33Å; V5-F49 HydrophobicContact CG1-CB 4.02Å; V5-F49 HydrophobicContact CG2-CB 4.11Å; V5-F49 HydrophobicContact CG2-CD2 4.22Å; V5-F49 HydrophobicContact CG2-CG 4.43Å; V5-L51 HydrophobicContact CG1-CD1 3.6Å; V5-L51 HydrophobicContact CG1-CG 3.93Å; V5-T96 HydrophobicContact CB-CG2 4.38Å; V5-T96 HydrophobicContact CG1-CG2 3.76Å; V5-M99 HydrophobicContact CG2-CE 4.14Å; V5-L100 HydrophobicContact CG2-CD1 4.42Å; V5-L100 HydrophobicContact CG2-CD2 4.07Å; V5-V125 PolarHBondContact N-O 2.88Å; V5-I126 HydrophobicContact CB-CG1 4.37Å; V5-I126 CarbonylContact O-C 3.59Å; V5-I126 WeakPolarHBondContact O-CA 3.48Å; V5-I127 PolarHBondContact O-N 2.97Å |
| 6 | F | 96.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.2 | 169.1 | -63.3 | -78.3 | 0 | 0 | 0 | 109.3 | I4 V32 F35 Y48 F49 V50 L51 I127 | I4-F6 HydrophobicContact CG2-CE2 4.07Å; I4-F6 HydrophobicContact CG2-CZ 4.13Å; F6-V32 HydrophobicContact CB-CG2 4.29Å; F6-V32 HydrophobicContact CD1-CB 4.42Å; F6-V32 HydrophobicContact CD1-CG1 4.23Å; F6-V32 HydrophobicContact CD1-CG2 3.72Å; F6-V32 HydrophobicContact CD2-CG1 3.81Å; F6-V32 HydrophobicContact CE1-CB 4.39Å; F6-V32 HydrophobicContact CE1-CG1 4.19Å; F6-V32 HydrophobicContact CE1-CG2 4.1Å; F6-V32 HydrophobicContact CE2-CG1 3.76Å; F6-V32 HydrophobicContact CG-CG1 4.02Å; F6-V32 HydrophobicContact CG-CG2 3.96Å; F6-V32 HydrophobicContact CZ-CG1 3.94Å; F6-F35 HydrophobicContact CE1-CB 4.37Å; F6-F35 HydrophobicContact CE1-CD1 4.05Å; F6-F35 HydrophobicContact CE1-CG 4.24Å; F6-F35 HydrophobicContact CZ-CB 4.27Å; F6-F35 AromaticContact CZ-CD1 3.49Å; F6-F35 HydrophobicContact CZ-CD1 3.49Å; F6-F35 VanDerWaalsContact CZ-CD1 3.49Å; F6-F35 HydrophobicContact CZ-CE1 4.1Å; F6-F35 HydrophobicContact CZ-CG 4.07Å; F6-Y48 AromaticContact CE2-CD1 3.92Å; F6-Y48 HydrophobicContact CE2-CD1 3.92Å; F6-Y48 HydrophobicContact CE2-CE1 4.49Å; F6-F49 PolarHBondContact N-O 2.93Å; F6-V50 HydrophobicContact CB-CG2 4.49Å; F6-V50 HydrophobicContact CD2-CG2 4.31Å; F6-L51 PolarHBondContact O-N 3.23Å; F6-I127 WeakPolarHBondContact CA-O 3.48Å; F6-I127 HydrophobicContact CD1-CB 3.93Å; F6-I127 HydrophobicContact CD1-CD1 4.19Å; F6-I127 HydrophobicContact CD1-CG2 4.23Å; F6-I127 HydrophobicContact CE1-CB 4.24Å; F6-I127 HydrophobicContact CE1-CD1 3.64Å; F6-I127 HydrophobicContact CE1-CG2 4.42Å; F6-I127 HydrophobicContact CZ-CD1 4.31Å |
| 7 | L | 95.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 103.3 | 169.2 | 179.6 | 63.6 | 0 | 0 | 0 | 108 | L51 L53 L89 I93 I127 C128 I129 | L7-L51 HydrophobicContact CD1-CB 3.99Å; L7-L53 HydrophobicContact CD1-CD2 4.17Å; L7-L89 HydrophobicContact CD2-CD1 3.97Å; L7-L89 HydrophobicContact CG-CD1 4.4Å; L7-I93 HydrophobicContact CD2-CB 4.35Å; L7-I93 HydrophobicContact CD2-CG1 3.49Å; L7-I93 VanDerWaalsContact CD2-CG1 3.49Å; L7-I127 PolarHBondContact N-O 3.37Å; L7-C128 WeakPolarHBondContact O-CA 3.24Å; L7-I129 PolarHBondContact O-N 2.81Å |
| 8 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.5 | -178.5 | -59.7 | -178.6 | 0 | 0 | 0 | 110.1 | N10 A28 V32 V50 L51 T52 L78 I81 I129 | L8-N10 PolarHBondContact O-N 3.45Å; L8-A28 HydrophobicContact CD2-CB 4.45Å; L8-V32 HydrophobicContact CD1-CG2 4.16Å; L8-V32 HydrophobicContact CD2-CG2 3.74Å; L8-V32 HydrophobicContact CG-CG2 4.44Å; L8-V50 HydrophobicContact CD1-CG1 3.88Å; L8-V50 HydrophobicContact CG-CG1 4.43Å; L8-L51 PolarHBondContact N-O 3.43Å; L8-T52 WeakPolarHBondContact O-CA 3.37Å; L8-L78 HydrophobicContact CD1-CD2 3.95Å; L8-I81 HydrophobicContact CD1-CD1 3.7Å; L8-I129 HydrophobicContact CD2-CB 3.88Å; L8-I129 HydrophobicContact CD2-CD1 3.62Å; L8-I129 HydrophobicContact CD2-CG1 3.8Å |
| 9 | D | 93.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -62.2 | 115.9 | 162.8 | -171.7 | -12 | 0 | 0 | 0 | 108.5 | S11 M14 L53 I129 T130 | D9-S11 WeakPolarHBondContact OD1-CB 3.23Å; D9-S11 PolarHBondContact OD1-N 3.17Å; D9-S11 PolarHBondContact OD1-OG 3.32Å; D9-M14 HydrophobicContact CB-CE 4.48Å; D9-M14 HydrophobicContact CB-CG 4.08Å; D9-M14 HydrophobicContact CB-SD 4.46Å; D9-M14 WeakPolarHBondContact O-CE 3.28Å; D9-M14 WeakPolarHBondContact O-CG 3.46Å; D9-L53 HydrophobicContact CB-CD1 4.25Å; D9-I129 WeakPolarHBondContact CB-O 3.25Å; D9-I129 PolarHBondContact N-O 2.93Å; D9-T130 PolarHBondContact OD2-OG1 3.31Å | ||
| 10 | N | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -117.4 | 24.4 | 173.6 | 75.5 | -49.8 | 0 | 0 | 0 | 111.1 | L8 L25 L53 N54 I81 K82 P83 D84 G85 | L8-N10 PolarHBondContact O-N 3.45Å; N10-L25 HydrophobicContact CB-CD1 4.33Å; N10-L53 WeakPolarHBondContact OD1-CA 3.46Å; N10-L53 WeakPolarHBondContact OD1-CB 3.46Å; N10-L53 PolarHBondContact OD1-N 3.49Å; N10-N54 PolarHBondContact ND2-ND2 2.95Å; N10-N54 PolarHBondContact ND2-OD1 3.48Å; N10-I81 HydrophobicContact CB-CG2 3.93Å; N10-K82 WeakPolarHBondContact CB-O 3.44Å; N10-K82 PolarHBondContact ND2-O 3.41Å; N10-P83 CarbonylContact O-C 3.52Å; N10-P83 WeakPolarHBondContact O-CA 3.05Å; N10-D84 PolarHBondContact ND2-OD1 2.75Å; N10-D84 PolarHBondContact O-N 3.43Å; N10-D84 VanDerWaalsContact O-N 3.1Å; N10-G85 PolarHBondContact ND2-N 3.48Å; N10-G85 PolarHBondContact O-N 2.97Å; N10-G85 WeakPolarHBondContact OD1-CA 3.33Å | ||
| 11 | S | 91.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 164.6 | 173.3 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | D9 A13 M14 | D9-S11 WeakPolarHBondContact OD1-CB 3.23Å; D9-S11 PolarHBondContact OD1-N 3.17Å; D9-S11 PolarHBondContact OD1-OG 3.32Å; S11-A13 PolarHBondContact O-N 3.3Å; S11-A13 VanDerWaalsContact O-N 3.13Å; S11-M14 WeakPolarHBondContact O-CB 3.07Å; S11-M14 PolarHBondContact O-N 3.05Å; S11-M14 VanDerWaalsContact O-N 3.08Å |
| 12 | A | 90.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 61% | 0.612 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -58.2 | -26.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M14 N15 | A12-M14 VanDerWaalsContact C-N 3.26Å; A12-M14 PolarHBondContact O-N 3.23Å; A12-N15 WeakPolarHBondContact O-CB 3.03Å; A12-N15 PolarHBondContact O-N 3.5Å |
| 13 | A | 88.9 | Confident | 92 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -64.7 | -29.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S11 N15 Q16 C131 | S11-A13 PolarHBondContact O-N 3.3Å; S11-A13 VanDerWaalsContact O-N 3.13Å; A13-N15 PolarHBondContact O-N 3.34Å; A13-N15 VanDerWaalsContact O-N 3.12Å; A13-Q16 WeakPolarHBondContact O-CG 3.45Å; A13-Q16 PolarHBondContact O-N 3.44Å; A13-Q16 VanDerWaalsContact O-N 3.17Å; A13-C131 VanDerWaalsContact CB-SG 3.6Å |
| 14 | M | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -71.2 | -5 | 178.6 | -70.2 | -76.5 | -77.6 | 0 | 0 | 113.6 | D9 S11 A12 Q16 L24 L25 A28 C131 L176 | D9-M14 HydrophobicContact CB-CE 4.48Å; D9-M14 HydrophobicContact CB-CG 4.08Å; D9-M14 HydrophobicContact CB-SD 4.46Å; D9-M14 WeakPolarHBondContact O-CE 3.28Å; D9-M14 WeakPolarHBondContact O-CG 3.46Å; S11-M14 WeakPolarHBondContact O-CB 3.07Å; S11-M14 PolarHBondContact O-N 3.05Å; S11-M14 VanDerWaalsContact O-N 3.08Å; A12-M14 VanDerWaalsContact C-N 3.26Å; A12-M14 PolarHBondContact O-N 3.23Å; M14-Q16 VanDerWaalsContact C-N 3.29Å; M14-L24 HydrophobicContact CE-CB 4.34Å; M14-L24 PolarHBondContact O-N 3.04Å; M14-L24 HydrophobicContact SD-CB 3.86Å; M14-L25 HydrophobicContact CB-CB 4.1Å; M14-L25 PolarHBondContact O-N 2.73Å; M14-A28 HydrophobicContact CE-CB 3.76Å; M14-C131 HydrophobicContact SD-CB 3.62Å; M14-L176 HydrophobicContact CE-CD1 4.18Å |
| 15 | N | 92.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -80 | -4.5 | 170.5 | -81.7 | -30 | 0 | 0 | 0 | 114.7 | A12 A13 R17 P83 | A12-N15 WeakPolarHBondContact O-CB 3.03Å; A12-N15 PolarHBondContact O-N 3.5Å; A13-N15 PolarHBondContact O-N 3.34Å; A13-N15 VanDerWaalsContact O-N 3.12Å; N15-R17 PolarHBondContact O-N 3.04Å; N15-P83 VanDerWaalsContact CG-CG 3.5Å; N15-P83 WeakPolarHBondContact ND2-CB 3.35Å; N15-P83 WeakPolarHBondContact ND2-CG 3.43Å; N15-P83 WeakPolarHBondContact OD1-CB 3.31Å; N15-P83 WeakPolarHBondContact OD1-CG 3.48Å |
| 16 | Q | 90.8 | Very high | 92.1 | Very high | 119 Ų | 119 | 42 Ų | 42 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | P | Polyproline II helix | trans | -57.9 | 136.3 | 174.7 | -70.4 | 172.2 | 16.9 | 0 | 0 | 110.2 | A13 M14 T23 L24 | A13-Q16 WeakPolarHBondContact O-CG 3.45Å; A13-Q16 PolarHBondContact O-N 3.44Å; A13-Q16 VanDerWaalsContact O-N 3.17Å; M14-Q16 VanDerWaalsContact C-N 3.29Å; Q16-T23 CarbonylContact O-C 3.5Å; Q16-T23 VanDerWaalsContact O-CA 3.3Å; Q16-T23 WeakPolarHBondContact O-CA 3.38Å; Q16-L24 HydrophobicContact CB-CD1 3.99Å; Q16-L24 HydrophobicContact CB-CG 4.41Å; Q16-L24 PolarHBondContact O-N 2.85Å |
| 17 | R | 91 | Very high | 92 | Very high | 181 Ų | 181 | 42.4 Ų | 42.4 | 68% | 0.683 | 23% | 0.234 | S | C | * | . | B | Isolated β-bridge | trans | -86.4 | 133.2 | 178.8 | -70.1 | -178.9 | -179.6 | -110.5 | 5.1 | 109.9 | N15 G21 T22 | N15-R17 PolarHBondContact O-N 3.04Å; R17-G21 PolarHBondContact NH1-O 3.35Å; R17-G21 VanDerWaalsContact NH1-O 3.17Å; R17-T22 WeakPolarHBondContact CA-O 3.23Å |
| 18 | T | 90 | Very high | 92 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 168.2 | 171 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | Q20 G21 T22 L24 V27 F178 | T18-Q20 PolarHBondContact O-N 3.05Å; T18-Q20 PolarHBondContact OG1-N 3.35Å; T18-G21 PolarHBondContact O-N 3.32Å; T18-T22 PolarHBondContact N-O 2.9Å; T18-T22 PolarHBondContact OG1-O 3.02Å; T18-T22 PolarHBondContact OG1-OG1 3.02Å; T18-L24 HydrophobicContact CG2-CD2 3.66Å; T18-L24 HydrophobicContact CG2-CG 4.35Å; T18-V27 HydrophobicContact CG2-CG2 4.17Å; T18-F178 HydrophobicContact CG2-CB 3.55Å; T18-F178 HydrophobicContact CG2-CD1 3.98Å; T18-F178 HydrophobicContact CG2-CG 3.97Å |
| 19 | F | 86.8 | Confident | 92 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 25% | 0.25 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -18 | 171.7 | 75.1 | -90.2 | 0 | 0 | 0 | 114.1 | G21 F178 P179 A180 V182 I185 | F19-G21 VanDerWaalsContact C-N 3.3Å; F19-F178 HydrophobicContact CE1-CD1 4.37Å; F19-P179 HydrophobicContact CD1-CG 4.13Å; F19-P179 WeakPolarHBondContact CD1-O 3.34Å; F19-P179 PolarHBondContact N-O 2.84Å; F19-A180 WeakPolarHBondContact CA-O 3.32Å; F19-V182 HydrophobicContact CB-CG2 3.98Å; F19-V182 HydrophobicContact CD2-CG2 3.81Å; F19-V182 HydrophobicContact CG-CG2 4.19Å; F19-I185 HydrophobicContact CD1-CD1 4.23Å; F19-I185 HydrophobicContact CD2-CD1 4.27Å; F19-I185 HydrophobicContact CE1-CD1 3.99Å; F19-I185 HydrophobicContact CE2-CD1 4.02Å; F19-I185 HydrophobicContact CG-CD1 4.37Å; F19-I185 HydrophobicContact CZ-CD1 3.87Å |
| 20 | Q | 86.1 | Confident | 92.1 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.5 | 177 | -58.9 | -177.2 | -13.7 | 0 | 0 | 112.9 | T18 T22 | T18-Q20 PolarHBondContact O-N 3.05Å; T18-Q20 PolarHBondContact OG1-N 3.35Å; Q20-T22 VanDerWaalsContact C-N 3.29Å; Q20-T22 PolarHBondContact O-N 3.29Å |
| 21 | G | 87.9 | Confident | 92.2 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 85.6 | -8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R17 T18 F19 | R17-G21 PolarHBondContact NH1-O 3.35Å; R17-G21 VanDerWaalsContact NH1-O 3.17Å; T18-G21 PolarHBondContact O-N 3.32Å; F19-G21 VanDerWaalsContact C-N 3.3Å |
| 22 | T | 92 | Very high | 92.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -83.2 | 156.3 | 171.7 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | R17 T18 Q20 | R17-T22 WeakPolarHBondContact CA-O 3.23Å; T18-T22 PolarHBondContact N-O 2.9Å; T18-T22 PolarHBondContact OG1-O 3.02Å; T18-T22 PolarHBondContact OG1-OG1 3.02Å; Q20-T22 VanDerWaalsContact C-N 3.29Å; Q20-T22 PolarHBondContact O-N 3.29Å |
| 23 | T | 93.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -79.1 | 158.6 | 172.4 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | Q16 L25 D26 V27 | Q16-T23 CarbonylContact O-C 3.5Å; Q16-T23 VanDerWaalsContact O-CA 3.3Å; Q16-T23 WeakPolarHBondContact O-CA 3.38Å; T23-L25 PolarHBondContact O-N 3.4Å; T23-D26 WeakPolarHBondContact CB-OD2 3.43Å; T23-D26 PolarHBondContact N-OD2 3.45Å; T23-D26 WeakPolarHBondContact O-CB 3.25Å; T23-D26 PolarHBondContact O-N 3.23Å; T23-D26 PolarHBondContact OG1-N 3.46Å; T23-D26 VanDerWaalsContact OG1-N 3.15Å; T23-D26 PolarHBondContact OG1-OD2 3.07Å; T23-V27 PolarHBondContact O-N 3.49Å; T23-V27 VanDerWaalsContact O-N 3.08Å |
| 24 | L | 94.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -34.6 | 171.9 | -66 | 173.7 | 0 | 0 | 0 | 111.7 | M14 Q16 T18 V27 A28 C131 L176 F178 | M14-L24 HydrophobicContact CE-CB 4.34Å; M14-L24 PolarHBondContact O-N 3.04Å; M14-L24 HydrophobicContact SD-CB 3.86Å; Q16-L24 HydrophobicContact CB-CD1 3.99Å; Q16-L24 HydrophobicContact CB-CG 4.41Å; Q16-L24 PolarHBondContact O-N 2.85Å; T18-L24 HydrophobicContact CG2-CD2 3.66Å; T18-L24 HydrophobicContact CG2-CG 4.35Å; L24-V27 WeakPolarHBondContact O-CB 3.46Å; L24-V27 PolarHBondContact O-N 3.21Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.14Å; L24-C131 HydrophobicContact CD1-CB 3.64Å; L24-L176 HydrophobicContact CD2-CB 4.13Å; L24-F178 HydrophobicContact CD2-CB 3.91Å; L24-F178 HydrophobicContact CD2-CD2 4.49Å; L24-F178 HydrophobicContact CD2-CG 4.41Å |
| 25 | L | 95 | Very high | 92.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 173.4 | -175.1 | 60.8 | 0 | 0 | 0 | 112.4 | N10 M14 T23 V27 A28 K29 I81 P83 | N10-L25 HydrophobicContact CB-CD1 4.33Å; M14-L25 HydrophobicContact CB-CB 4.1Å; M14-L25 PolarHBondContact O-N 2.73Å; T23-L25 PolarHBondContact O-N 3.4Å; L25-V27 VanDerWaalsContact C-N 3.35Å; L25-A28 PolarHBondContact O-N 2.84Å; L25-K29 VanDerWaalsContact O-CG 3.3Å; L25-K29 WeakPolarHBondContact O-CG 3.48Å; L25-K29 PolarHBondContact O-N 2.76Å; L25-I81 HydrophobicContact CD1-CG2 4.19Å; L25-I81 HydrophobicContact CD2-CG2 4.43Å; L25-P83 HydrophobicContact CD2-CB 3.97Å |
| 26 | D | 95.1 | Very high | 93 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.1 | -39.3 | 175.4 | -59.6 | -43 | 0 | 0 | 0 | 111.3 | T23 K29 S30 | T23-D26 WeakPolarHBondContact CB-OD2 3.43Å; T23-D26 PolarHBondContact N-OD2 3.45Å; T23-D26 WeakPolarHBondContact O-CB 3.25Å; T23-D26 PolarHBondContact O-N 3.23Å; T23-D26 PolarHBondContact OG1-N 3.46Å; T23-D26 VanDerWaalsContact OG1-N 3.15Å; T23-D26 PolarHBondContact OG1-OD2 3.07Å; D26-K29 PolarHBondContact O-N 3.39Å; D26-S30 WeakPolarHBondContact O-CB 3.18Å; D26-S30 PolarHBondContact O-N 2.87Å |
| 27 | V | 95.2 | Very high | 93 | Very high | 10 Ų | 10 | 40 Ų | 40 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.6 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | T18 T23 L24 L25 K29 S30 A31 L176 F178 L219 | T18-V27 HydrophobicContact CG2-CG2 4.17Å; T23-V27 PolarHBondContact O-N 3.49Å; T23-V27 VanDerWaalsContact O-N 3.08Å; L24-V27 WeakPolarHBondContact O-CB 3.46Å; L24-V27 PolarHBondContact O-N 3.21Å; L25-V27 VanDerWaalsContact C-N 3.35Å; V27-K29 PolarHBondContact O-N 3.14Å; V27-S30 PolarHBondContact O-N 2.95Å; V27-A31 PolarHBondContact O-N 3.5Å; V27-L176 HydrophobicContact CB-CD1 4.44Å; V27-L176 HydrophobicContact CG1-CD1 4.25Å; V27-L176 HydrophobicContact CG1-CD2 4.41Å; V27-F178 HydrophobicContact CG1-CE1 4.21Å; V27-F178 HydrophobicContact CG1-CE2 3.9Å; V27-F178 HydrophobicContact CG1-CZ 3.7Å; V27-F178 HydrophobicContact CG2-CE1 4.5Å; V27-L219 HydrophobicContact CG1-CD2 3.9Å |
| 28 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 M14 L24 L25 S30 A31 V32 I129 L176 | L8-A28 HydrophobicContact CD2-CB 4.45Å; M14-A28 HydrophobicContact CE-CB 3.76Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 2.84Å; A28-S30 VanDerWaalsContact C-N 3.35Å; A28-S30 PolarHBondContact O-N 3.46Å; A28-A31 WeakPolarHBondContact O-CB 3.44Å; A28-A31 PolarHBondContact O-N 2.85Å; A28-V32 WeakPolarHBondContact O-CG2 3.07Å; A28-V32 PolarHBondContact O-N 2.96Å; A28-V32 VanDerWaalsContact O-N 3.15Å; A28-I129 HydrophobicContact CB-CB 4.37Å; A28-I129 HydrophobicContact CB-CG2 3.66Å; A28-L176 HydrophobicContact CB-CD1 4.06Å |
| 29 | K | 95.7 | Very high | 93.1 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.7 | -70.8 | 171.7 | -178.4 | -172.7 | 0 | 111.7 | L25 D26 V27 A31 V32 E33 L78 I81 | L25-K29 VanDerWaalsContact O-CG 3.3Å; L25-K29 WeakPolarHBondContact O-CG 3.48Å; L25-K29 PolarHBondContact O-N 2.76Å; D26-K29 PolarHBondContact O-N 3.39Å; V27-K29 PolarHBondContact O-N 3.14Å; K29-A31 VanDerWaalsContact C-N 3.33Å; K29-A31 PolarHBondContact O-N 3.23Å; K29-V32 PolarHBondContact O-N 2.85Å; K29-E33 PolarHBondContact O-N 3.41Å; K29-E33 VanDerWaalsContact O-N 3.15Å; K29-L78 WeakPolarHBondContact CE-O 3.37Å; K29-L78 HydrophobicContact CG-CB 4.38Å; K29-L78 HydrophobicContact CG-CD2 4.33Å; K29-L78 PolarHBondContact NZ-O 3.12Å; K29-I81 PolarHBondContact NZ-O 3.05Å |
| 30 | S | 94.7 | Very high | 93.2 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 37% | 0.371 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | D26 V27 A28 V32 E33 I34 | D26-S30 WeakPolarHBondContact O-CB 3.18Å; D26-S30 PolarHBondContact O-N 2.87Å; V27-S30 PolarHBondContact O-N 2.95Å; A28-S30 VanDerWaalsContact C-N 3.35Å; A28-S30 PolarHBondContact O-N 3.46Å; S30-V32 VanDerWaalsContact C-N 3.34Å; S30-V32 PolarHBondContact O-N 3.37Å; S30-E33 PolarHBondContact O-N 3.42Å; S30-I34 WeakPolarHBondContact O-CB 3.28Å; S30-I34 VanDerWaalsContact O-CG1 3.26Å; S30-I34 WeakPolarHBondContact O-CG1 3.36Å; S30-I34 PolarHBondContact O-N 3.05Å |
| 31 | A | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V27 A28 K29 I34 F35 I129 L219 L223 | V27-A31 PolarHBondContact O-N 3.5Å; A28-A31 WeakPolarHBondContact O-CB 3.44Å; A28-A31 PolarHBondContact O-N 2.85Å; K29-A31 VanDerWaalsContact C-N 3.33Å; K29-A31 PolarHBondContact O-N 3.23Å; A31-I34 PolarHBondContact O-N 3.46Å; A31-F35 WeakPolarHBondContact O-CB 3.27Å; A31-F35 PolarHBondContact O-N 2.9Å; A31-I129 HydrophobicContact CB-CD1 4.12Å; A31-L219 HydrophobicContact CB-CD1 4.01Å; A31-L219 HydrophobicContact CB-CD2 4.12Å; A31-L219 HydrophobicContact CB-CG 4.45Å; A31-L223 HydrophobicContact CB-CD1 4.16Å; A31-L223 WeakPolarHBondContact O-CD1 3.43Å |
| 32 | V | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | F6 L8 A28 K29 S30 F35 F36 L74 L78 I129 | F6-V32 HydrophobicContact CB-CG2 4.29Å; F6-V32 HydrophobicContact CD1-CB 4.42Å; F6-V32 HydrophobicContact CD1-CG1 4.23Å; F6-V32 HydrophobicContact CD1-CG2 3.72Å; F6-V32 HydrophobicContact CD2-CG1 3.81Å; F6-V32 HydrophobicContact CE1-CB 4.39Å; F6-V32 HydrophobicContact CE1-CG1 4.19Å; F6-V32 HydrophobicContact CE1-CG2 4.1Å; F6-V32 HydrophobicContact CE2-CG1 3.76Å; F6-V32 HydrophobicContact CG-CG1 4.02Å; F6-V32 HydrophobicContact CG-CG2 3.96Å; F6-V32 HydrophobicContact CZ-CG1 3.94Å; L8-V32 HydrophobicContact CD1-CG2 4.16Å; L8-V32 HydrophobicContact CD2-CG2 3.74Å; L8-V32 HydrophobicContact CG-CG2 4.44Å; A28-V32 WeakPolarHBondContact O-CG2 3.07Å; A28-V32 PolarHBondContact O-N 2.96Å; A28-V32 VanDerWaalsContact O-N 3.15Å; K29-V32 PolarHBondContact O-N 2.85Å; S30-V32 VanDerWaalsContact C-N 3.34Å; S30-V32 PolarHBondContact O-N 3.37Å; V32-F35 PolarHBondContact O-N 3.38Å; V32-F36 WeakPolarHBondContact O-CB 3.36Å; V32-F36 PolarHBondContact O-N 3.39Å; V32-L74 HydrophobicContact CG1-CD1 4.14Å; V32-L74 HydrophobicContact CG1-CD2 4.45Å; V32-L78 HydrophobicContact CB-CD1 4.24Å; V32-L78 HydrophobicContact CB-CD2 4.34Å; V32-L78 HydrophobicContact CG1-CD1 4.09Å; V32-L78 HydrophobicContact CG1-CD2 4.16Å; V32-I129 HydrophobicContact CG2-CD1 4.06Å |
| 33 | E | 93.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 36.5 Ų | 36.5 | 23% | 0.234 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 179.2 | -173.1 | -172.8 | 156.1 | 0 | 0 | 111.9 | K29 S30 F36 K37 L71 H75 | K29-E33 PolarHBondContact O-N 3.41Å; K29-E33 VanDerWaalsContact O-N 3.15Å; S30-E33 PolarHBondContact O-N 3.42Å; E33-F36 PolarHBondContact O-N 3.41Å; E33-K37 HydrophobicContact CG-CD 4.33Å; E33-K37 WeakPolarHBondContact O-CG 3.42Å; E33-K37 PolarHBondContact O-N 3Å; E33-K37 WeakPolarHBondContact OE1-CE 3.5Å; E33-K37 IonicContact OE1-NZ 2.73Å; E33-K37 PolarHBondContact OE1-NZ 3.38Å; E33-L71 HydrophobicContact CG-CD1 4.35Å; E33-H75 WeakPolarHBondContact CG-NE2 3.24Å; E33-H75 IonicContact OE1-CE1 2.67Å; E33-H75 PolarHBondContact OE1-CE1 3.44Å; E33-H75 IonicContact OE1-NE2 3.69Å; E33-H75 PolarHBondContact OE1-NE2 2.96Å; E33-H75 IonicContact OE2-CE1 3.83Å; E33-H75 IonicContact OE2-NE2 3.71Å |
| 34 | I | 94.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -50 | 177.1 | -71.2 | 167.3 | 0 | 0 | 0 | 110.2 | S30 A31 F36 K37 I38 H220 L223 | S30-I34 WeakPolarHBondContact O-CB 3.28Å; S30-I34 VanDerWaalsContact O-CG1 3.26Å; S30-I34 WeakPolarHBondContact O-CG1 3.36Å; S30-I34 PolarHBondContact O-N 3.05Å; A31-I34 PolarHBondContact O-N 3.46Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 2.82Å; I34-K37 PolarHBondContact O-N 2.85Å; I34-I38 HydrophobicContact CG2-CD1 3.65Å; I34-I38 HydrophobicContact CG2-CG1 4.44Å; I34-I38 VanDerWaalsContact O-CG1 3.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.45Å; I34-I38 PolarHBondContact O-N 2.8Å; I34-H220 VanDerWaalsContact CG2-CE1 3.46Å; I34-H220 WeakPolarHBondContact CG2-CE1 3.39Å; I34-H220 WeakPolarHBondContact CG2-ND1 3.44Å; I34-L223 HydrophobicContact CB-CD1 3.99Å; I34-L223 HydrophobicContact CG2-CD1 3.67Å |
| 35 | F | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 178.3 | -178.8 | -82.5 | 0 | 0 | 0 | 111.3 | I4 F6 A31 V32 K37 I38 R39 I127 L223 L226 V227 | I4-F35 HydrophobicContact CD1-CE1 3.93Å; I4-F35 HydrophobicContact CD1-CZ 4.32Å; I4-F35 HydrophobicContact CG2-CE1 4.02Å; F6-F35 HydrophobicContact CE1-CB 4.37Å; F6-F35 HydrophobicContact CE1-CD1 4.05Å; F6-F35 HydrophobicContact CE1-CG 4.24Å; F6-F35 HydrophobicContact CZ-CB 4.27Å; F6-F35 AromaticContact CZ-CD1 3.49Å; F6-F35 HydrophobicContact CZ-CD1 3.49Å; F6-F35 VanDerWaalsContact CZ-CD1 3.49Å; F6-F35 HydrophobicContact CZ-CE1 4.1Å; F6-F35 HydrophobicContact CZ-CG 4.07Å; A31-F35 WeakPolarHBondContact O-CB 3.27Å; A31-F35 PolarHBondContact O-N 2.9Å; V32-F35 PolarHBondContact O-N 3.38Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 3.06Å; F35-I38 PolarHBondContact O-N 2.85Å; F35-R39 HydrophobicContact CD1-CB 4.34Å; F35-R39 HydrophobicContact CE1-CB 4.03Å; F35-R39 HydrophobicContact CE1-CG 4.3Å; F35-R39 WeakPolarHBondContact O-CB 3.31Å; F35-R39 PolarHBondContact O-N 3.44Å; F35-I127 HydrophobicContact CD1-CD1 4.38Å; F35-I127 HydrophobicContact CD2-CD1 4.11Å; F35-I127 HydrophobicContact CE1-CD1 4.05Å; F35-I127 HydrophobicContact CE2-CD1 3.81Å; F35-I127 HydrophobicContact CG-CD1 4.38Å; F35-I127 HydrophobicContact CZ-CD1 3.74Å; F35-L223 HydrophobicContact CB-CD2 4.22Å; F35-L223 HydrophobicContact CD2-CD2 4.18Å; F35-L226 HydrophobicContact CD2-CD2 4.13Å; F35-L226 HydrophobicContact CE2-CB 4.49Å; F35-L226 HydrophobicContact CE2-CD2 3.33Å; F35-L226 HydrophobicContact CE2-CG 4.47Å; F35-L226 HydrophobicContact CZ-CD2 4Å; F35-V227 HydrophobicContact CD2-CG2 3.59Å; F35-V227 HydrophobicContact CE2-CB 4.31Å; F35-V227 HydrophobicContact CE2-CG2 3.33Å; F35-V227 HydrophobicContact CG-CG2 4.38Å; F35-V227 HydrophobicContact CZ-CG2 3.98Å |
| 36 | F | 93 | Very high | 91 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 179.4 | -179.3 | -91.4 | 0 | 0 | 0 | 111.3 | V32 E33 I34 R39 M40 Y48 V69 L71 L74 | V32-F36 WeakPolarHBondContact O-CB 3.36Å; V32-F36 PolarHBondContact O-N 3.39Å; E33-F36 PolarHBondContact O-N 3.41Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 2.82Å; F36-R39 PolarHBondContact O-N 2.88Å; F36-M40 HydrophobicContact CE1-SD 3.79Å; F36-M40 HydrophobicContact CZ-SD 4.31Å; F36-M40 VanDerWaalsContact O-CB 3.23Å; F36-M40 WeakPolarHBondContact O-CB 3.31Å; F36-M40 PolarHBondContact O-N 3.08Å; F36-Y48 AromaticContact CD2-CD1 3.91Å; F36-Y48 HydrophobicContact CD2-CD1 3.91Å; F36-Y48 AromaticContact CD2-CD2 3.95Å; F36-Y48 HydrophobicContact CD2-CD2 3.95Å; F36-Y48 AromaticContact CD2-CE1 3.71Å; F36-Y48 HydrophobicContact CD2-CE1 3.71Å; F36-Y48 AromaticContact CD2-CE2 3.77Å; F36-Y48 HydrophobicContact CD2-CE2 3.77Å; F36-Y48 HydrophobicContact CD2-CG 4.01Å; F36-Y48 AromaticContact CD2-CZ 3.63Å; F36-Y48 HydrophobicContact CE2-CD1 4.35Å; F36-Y48 AromaticContact CE2-CD2 3.54Å; F36-Y48 HydrophobicContact CE2-CD2 3.54Å; F36-Y48 HydrophobicContact CE2-CE1 4.26Å; F36-Y48 AromaticContact CE2-CE2 3.45Å; F36-Y48 HydrophobicContact CE2-CE2 3.45Å; F36-Y48 VanDerWaalsContact CE2-CE2 3.45Å; F36-Y48 AromaticContact CE2-CG 3.99Å; F36-Y48 HydrophobicContact CE2-CG 3.99Å; F36-Y48 AromaticContact CE2-CZ 3.82Å; F36-V69 HydrophobicContact CE2-CG1 4.2Å; F36-V69 HydrophobicContact CZ-CG1 4.48Å; F36-V69 WeakPolarHBondContact CZ-O 3.44Å; F36-L71 HydrophobicContact CD1-CD1 3.81Å; F36-L71 HydrophobicContact CE1-CB 4.23Å; F36-L71 HydrophobicContact CE1-CD1 4.02Å; F36-L74 HydrophobicContact CB-CD2 3.69Å; F36-L74 HydrophobicContact CD1-CD2 3.89Å; F36-L74 HydrophobicContact CD2-CD2 3.94Å; F36-L74 HydrophobicContact CG-CD2 3.57Å |
| 37 | K | 92.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -46.1 | 176.8 | -75.5 | 171.4 | 172.9 | 172.5 | 0 | 112.4 | E33 I34 F35 L71 | E33-K37 HydrophobicContact CG-CD 4.33Å; E33-K37 WeakPolarHBondContact O-CG 3.42Å; E33-K37 PolarHBondContact O-N 3Å; E33-K37 WeakPolarHBondContact OE1-CE 3.5Å; E33-K37 IonicContact OE1-NZ 2.73Å; E33-K37 PolarHBondContact OE1-NZ 3.38Å; I34-K37 PolarHBondContact O-N 2.85Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 3.06Å; K37-L71 HydrophobicContact CG-CD1 4.48Å |
| 38 | I | 92.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.1 | -59.8 | 160.5 | 0 | 0 | 0 | 109.8 | I34 F35 S41 D224 V227 | I34-I38 HydrophobicContact CG2-CD1 3.65Å; I34-I38 HydrophobicContact CG2-CG1 4.44Å; I34-I38 VanDerWaalsContact O-CG1 3.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.45Å; I34-I38 PolarHBondContact O-N 2.8Å; F35-I38 PolarHBondContact O-N 2.85Å; I38-S41 PolarHBondContact O-N 3.29Å; I38-S41 PolarHBondContact O-OG 2.9Å; I38-D224 WeakPolarHBondContact CD1-OD1 3.43Å; I38-V227 HydrophobicContact CB-CG2 4.21Å; I38-V227 HydrophobicContact CG2-CB 4.3Å; I38-V227 HydrophobicContact CG2-CG1 4.1Å; I38-V227 HydrophobicContact CG2-CG2 3.9Å |
| 39 | R | 91.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.7 | -37.2 | -177.6 | -173.2 | 62.2 | 179.1 | -161.8 | -6.4 | 113.2 | T2 I4 F35 F36 S41 K42 S43 D46 Y48 V227 C230 | T2-R39 PolarHBondContact OG1-NH2 3.16Å; T2-R39 VanDerWaalsContact OG1-NH2 3.14Å; I4-R39 HydrophobicContact CD1-CG 4.05Å; F35-R39 HydrophobicContact CD1-CB 4.34Å; F35-R39 HydrophobicContact CE1-CB 4.03Å; F35-R39 HydrophobicContact CE1-CG 4.3Å; F35-R39 WeakPolarHBondContact O-CB 3.31Å; F35-R39 PolarHBondContact O-N 3.44Å; F36-R39 PolarHBondContact O-N 2.88Å; R39-S41 PolarHBondContact O-N 3.35Å; R39-S41 VanDerWaalsContact O-N 3.17Å; R39-K42 PolarHBondContact O-N 3.22Å; R39-S43 PolarHBondContact O-N 3.48Å; R39-D46 IonicContact CZ-OD2 3Å; R39-D46 IonicContact NE-OD2 3.26Å; R39-D46 PolarHBondContact NE-OD2 3.25Å; R39-D46 IonicContact NH2-OD2 2.87Å; R39-D46 PolarHBondContact NH2-OD2 3.2Å; R39-Y48 WeakPolarHBondContact CG-OH 3.27Å; R39-V227 PolarHBondContact NH1-O 3.42Å; R39-C230 PolarHBondContact NH1-O 3.11Å; R39-C230 PolarHBondContact NH2-O 3.01Å |
| 40 | M | 87.7 | Confident | 90.4 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 39% | 0.389 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.4 | -27.2 | 177.8 | -169.1 | 178.1 | -168.8 | 0 | 0 | 112.3 | F36 | F36-M40 HydrophobicContact CE1-SD 3.79Å; F36-M40 HydrophobicContact CZ-SD 4.31Å; F36-M40 VanDerWaalsContact O-CB 3.23Å; F36-M40 WeakPolarHBondContact O-CB 3.31Å; F36-M40 PolarHBondContact O-N 3.08Å |
| 41 | S | 84.8 | Confident | 90.4 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 64% | 0.643 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.3 | -28.2 | 172.7 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | I38 R39 | I38-S41 PolarHBondContact O-N 3.29Å; I38-S41 PolarHBondContact O-OG 2.9Å; R39-S41 PolarHBondContact O-N 3.35Å; R39-S41 VanDerWaalsContact O-N 3.17Å |
| 42 | K | 84.8 | Confident | 90.3 | Very high | 119 Ų | 119 | 45.8 Ų | 45.8 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -98.1 | -37.8 | -176.6 | -65.6 | -177.2 | -177.5 | 175.4 | 0 | 113.3 | R39 V227 | R39-K42 PolarHBondContact O-N 3.22Å; K42-V227 HydrophobicContact CD-CG1 3.67Å |
| 43 | S | 81.1 | Confident | 90.1 | Very high | 27 Ų | 27 | 46 Ų | 46 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | trans | -142.4 | 122.1 | -178.6 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | R39 D46 | R39-S43 PolarHBondContact O-N 3.48Å; S43-D46 WeakPolarHBondContact CB-OD2 3.5Å; S43-D46 PolarHBondContact OG-OD1 2.93Å; S43-D46 PolarHBondContact OG-OD2 3.41Å; S43-D46 VanDerWaalsContact OG-OD2 3.11Å | ||
| 44 | R | 80.1 | Confident | 89.9 | Confident | 213 Ų | 213 | 43.9 Ų | 43.9 | 80% | 0.804 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -94.9 | -4.1 | 176.2 | -64.2 | -170.1 | 179.7 | 108.7 | 1 | 113.9 | ||
| 45 | V | 84.3 | Confident | 89.2 | Confident | 94 Ų | 94 | 44.2 Ų | 44.2 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -107 | 1.9 | -170.1 | -151.3 | 0 | 0 | 0 | 0 | 111.8 | M1 | M1-V45 VanDerWaalsContact CG-O 3.3Å; M1-V45 WeakPolarHBondContact CG-O 3.39Å |
| 46 | D | 88.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | trans | -74.8 | 146.5 | -178.4 | -68.6 | -20.2 | 0 | 0 | 0 | 111.4 | T2 I4 R39 S43 Y48 | T2-D46 PolarHBondContact N-OD1 3.22Å; T2-D46 WeakPolarHBondContact O-CA 3.44Å; T2-D46 WeakPolarHBondContact O-CB 3.21Å; T2-D46 PolarHBondContact OG1-OD1 3.24Å; T2-D46 PolarHBondContact OG1-OD2 2.87Å; T2-D46 VanDerWaalsContact OG1-OD2 3.14Å; I4-D46 HydrophobicContact CD1-CB 4.33Å; R39-D46 IonicContact CZ-OD2 3Å; R39-D46 IonicContact NE-OD2 3.26Å; R39-D46 PolarHBondContact NE-OD2 3.25Å; R39-D46 IonicContact NH2-OD2 2.87Å; R39-D46 PolarHBondContact NH2-OD2 3.2Å; S43-D46 WeakPolarHBondContact CB-OD2 3.5Å; S43-D46 PolarHBondContact OG-OD1 2.93Å; S43-D46 PolarHBondContact OG-OD2 3.41Å; S43-D46 VanDerWaalsContact OG-OD2 3.11Å; D46-Y48 HydrophobicContact CB-CE2 4.03Å | ||
| 47 | R | 90.1 | Very high | 87.4 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.6 | 177.1 | -64.5 | 179.9 | -177.9 | 162.3 | -2.2 | 109.2 | M1 T2 V3 I4 F49 E122 | M1-R47 HydrophobicContact SD-CG 4.23Å; M1-R47 PolarHBondContact SD-NE 3.49Å; T2-R47 PolarHBondContact O-N 2.83Å; V3-R47 HydrophobicContact CG2-CB 4.48Å; I4-R47 PolarHBondContact N-O 3.12Å; R47-F49 HydrophobicContact CB-CE2 4.16Å; R47-E122 IonicContact NH1-OE1 3.1Å |
| 48 | Y | 92.8 | Very high | 86.7 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.1 | -177.8 | -62.7 | -89.8 | 0 | 0 | 0 | 111.6 | I4 F6 F36 R39 D46 L62 G64 V69 | I4-Y48 HydrophobicContact CB-CD1 3.85Å; I4-Y48 HydrophobicContact CB-CE1 4.02Å; I4-Y48 HydrophobicContact CD1-CD1 4.46Å; I4-Y48 HydrophobicContact CD1-CE1 3.76Å; I4-Y48 HydrophobicContact CG1-CE1 4.38Å; I4-Y48 HydrophobicContact CG2-CD1 4.08Å; I4-Y48 HydrophobicContact CG2-CE1 4.19Å; I4-Y48 CarbonylContact O-C 3.57Å; I4-Y48 VanDerWaalsContact O-CA 3.31Å; I4-Y48 WeakPolarHBondContact O-CA 3.45Å; F6-Y48 AromaticContact CE2-CD1 3.92Å; F6-Y48 HydrophobicContact CE2-CD1 3.92Å; F6-Y48 HydrophobicContact CE2-CE1 4.49Å; F36-Y48 AromaticContact CD2-CD1 3.91Å; F36-Y48 HydrophobicContact CD2-CD1 3.91Å; F36-Y48 AromaticContact CD2-CD2 3.95Å; F36-Y48 HydrophobicContact CD2-CD2 3.95Å; F36-Y48 AromaticContact CD2-CE1 3.71Å; F36-Y48 HydrophobicContact CD2-CE1 3.71Å; F36-Y48 AromaticContact CD2-CE2 3.77Å; F36-Y48 HydrophobicContact CD2-CE2 3.77Å; F36-Y48 HydrophobicContact CD2-CG 4.01Å; F36-Y48 AromaticContact CD2-CZ 3.63Å; F36-Y48 HydrophobicContact CE2-CD1 4.35Å; F36-Y48 AromaticContact CE2-CD2 3.54Å; F36-Y48 HydrophobicContact CE2-CD2 3.54Å; F36-Y48 HydrophobicContact CE2-CE1 4.26Å; F36-Y48 AromaticContact CE2-CE2 3.45Å; F36-Y48 HydrophobicContact CE2-CE2 3.45Å; F36-Y48 VanDerWaalsContact CE2-CE2 3.45Å; F36-Y48 AromaticContact CE2-CG 3.99Å; F36-Y48 HydrophobicContact CE2-CG 3.99Å; F36-Y48 AromaticContact CE2-CZ 3.82Å; R39-Y48 WeakPolarHBondContact CG-OH 3.27Å; D46-Y48 HydrophobicContact CB-CE2 4.03Å; Y48-L62 WeakPolarHBondContact O-CD2 3.42Å; Y48-G64 WeakPolarHBondContact O-CA 3.19Å; Y48-G64 PolarHBondContact O-N 2.98Å; Y48-V69 HydrophobicContact CD2-CB 4.33Å |
| 49 | F | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.3 | 173.3 | -66.2 | -92.6 | 0 | 0 | 0 | 109.3 | V3 I4 V5 F6 R47 L62 T63 G64 W65 M99 | V3-F49 HydrophobicContact CG1-CD2 3.79Å; V3-F49 HydrophobicContact CG1-CE2 3.71Å; I4-F49 PolarHBondContact O-N 3.19Å; V5-F49 HydrophobicContact CB-CB 4.33Å; V5-F49 HydrophobicContact CG1-CB 4.02Å; V5-F49 HydrophobicContact CG2-CB 4.11Å; V5-F49 HydrophobicContact CG2-CD2 4.22Å; V5-F49 HydrophobicContact CG2-CG 4.43Å; F6-F49 PolarHBondContact N-O 2.93Å; R47-F49 HydrophobicContact CB-CE2 4.16Å; F49-L62 WeakPolarHBondContact CA-O 3.48Å; F49-T63 HydrophobicContact CD1-CG2 4.48Å; F49-T63 HydrophobicContact CE1-CG2 4.44Å; F49-G64 VanDerWaalsContact CE1-N 3.26Å; F49-W65 AromaticContact CE1-CD1 3.41Å; F49-W65 VanDerWaalsContact CE1-CD1 3.41Å; F49-W65 AromaticContact CE1-CD2 3.92Å; F49-W65 HydrophobicContact CE1-CD2 3.92Å; F49-W65 AromaticContact CE1-CE2 3.56Å; F49-W65 AromaticContact CE1-CG 3.79Å; F49-W65 HydrophobicContact CE1-CG 3.79Å; F49-W65 HydrophobicContact CE1-CZ2 4.21Å; F49-W65 AromaticContact CE1-NE1 3.25Å; F49-W65 VanDerWaalsContact CE1-NE1 3.25Å; F49-W65 HydrophobicContact CE2-CD2 4.35Å; F49-W65 HydrophobicContact CE2-CH2 4.49Å; F49-W65 HydrophobicContact CE2-CZ2 4.34Å; F49-W65 HydrophobicContact CZ-CB 4.37Å; F49-W65 AromaticContact CZ-CD1 3.68Å; F49-W65 AromaticContact CZ-CD2 3.35Å; F49-W65 HydrophobicContact CZ-CD2 3.35Å; F49-W65 AromaticContact CZ-CE2 3.3Å; F49-W65 AromaticContact CZ-CE3 3.9Å; F49-W65 HydrophobicContact CZ-CE3 3.9Å; F49-W65 AromaticContact CZ-CG 3.56Å; F49-W65 HydrophobicContact CZ-CG 3.56Å; F49-W65 HydrophobicContact CZ-CH2 4.25Å; F49-W65 AromaticContact CZ-CZ2 3.8Å; F49-W65 HydrophobicContact CZ-CZ2 3.8Å; F49-W65 HydrophobicContact CZ-CZ3 4.29Å; F49-W65 AromaticContact CZ-NE1 3.52Å; F49-M99 HydrophobicContact CD1-CE 4.14Å; F49-M99 HydrophobicContact CD1-SD 4.19Å; F49-M99 HydrophobicContact CG-CE 4.16Å |
| 50 | V | 94.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.8 | 172.2 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | F6 L8 K61 L62 L74 L78 I81 | F6-V50 HydrophobicContact CB-CG2 4.49Å; F6-V50 HydrophobicContact CD2-CG2 4.31Å; L8-V50 HydrophobicContact CD1-CG1 3.88Å; L8-V50 HydrophobicContact CG-CG1 4.43Å; V50-K61 HydrophobicContact CB-CB 4.41Å; V50-K61 HydrophobicContact CG1-CB 4.33Å; V50-K61 PolarHBondContact O-N 3.19Å; V50-L62 HydrophobicContact CB-CB 3.92Å; V50-L62 HydrophobicContact CG2-CB 4.02Å; V50-L62 PolarHBondContact N-O 2.81Å; V50-L62 VanDerWaalsContact N-O 3.13Å; V50-L62 PolarHBondContact O-N 2.95Å; V50-L74 HydrophobicContact CG2-CD1 3.95Å; V50-L78 HydrophobicContact CG1-CD2 4.24Å; V50-I81 HydrophobicContact CG1-CD1 3.86Å |
| 51 | L | 94 | Very high | 86 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 150.9 | -179.6 | -55.7 | -177.7 | 0 | 0 | 0 | 109.8 | V5 F6 L7 L8 Y59 V60 T96 M99 | V5-L51 HydrophobicContact CG1-CD1 3.6Å; V5-L51 HydrophobicContact CG1-CG 3.93Å; F6-L51 PolarHBondContact O-N 3.23Å; L7-L51 HydrophobicContact CD1-CB 3.99Å; L8-L51 PolarHBondContact N-O 3.43Å; L51-Y59 CarbonylContact C-O 3.37Å; L51-Y59 WeakPolarHBondContact CA-O 3.32Å; L51-Y59 HydrophobicContact CB-CD2 4.48Å; L51-Y59 HydrophobicContact CD1-CE2 4.46Å; L51-Y59 HydrophobicContact CD2-CD2 4.09Å; L51-Y59 HydrophobicContact CD2-CE2 4.08Å; L51-V60 HydrophobicContact CD2-CB 4.18Å; L51-V60 HydrophobicContact CD2-CG1 4.05Å; L51-V60 HydrophobicContact CD2-CG2 3.92Å; L51-T96 HydrophobicContact CD1-CG2 3.95Å; L51-T96 WeakPolarHBondContact CD1-OG1 3.4Å; L51-M99 HydrophobicContact CD1-CE 4.29Å; L51-M99 HydrophobicContact CD1-SD 4.45Å; L51-M99 HydrophobicContact CD2-SD 4.45Å |
| 52 | T | 94 | Very high | 85.7 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 174.9 | -179.1 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | L8 N54 Y59 K61 I81 | L8-T52 WeakPolarHBondContact O-CA 3.37Å; T52-N54 VanDerWaalsContact C-N 3.31Å; T52-N54 PolarHBondContact O-N 3.38Å; T52-N54 PolarHBondContact OG1-ND2 3.09Å; T52-Y59 PolarHBondContact N-O 3.08Å; T52-Y59 WeakPolarHBondContact O-CB 3.09Å; T52-Y59 WeakPolarHBondContact OG1-CA 3.49Å; T52-Y59 PolarHBondContact OG1-O 2.87Å; T52-K61 HydrophobicContact CG2-CD 4.5Å; T52-K61 HydrophobicContact CG2-CG 3.7Å; T52-K61 WeakPolarHBondContact OG1-CE 3.37Å; T52-I81 HydrophobicContact CG2-CD1 3.91Å; T52-I81 HydrophobicContact CG2-CG1 4.06Å; T52-I81 HydrophobicContact CG2-CG2 3.93Å |
| 53 | L | 91.6 | Very high | 85.4 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -95.5 | 39.1 | -179.8 | -57.2 | -177.6 | 0 | 0 | 0 | 112.8 | L7 D9 N10 G85 L86 I87 L89 | L7-L53 HydrophobicContact CD1-CD2 4.17Å; D9-L53 HydrophobicContact CB-CD1 4.25Å; N10-L53 WeakPolarHBondContact OD1-CA 3.46Å; N10-L53 WeakPolarHBondContact OD1-CB 3.46Å; N10-L53 PolarHBondContact OD1-N 3.49Å; L53-G85 CarbonylContact O-C 3.6Å; L53-G85 VanDerWaalsContact O-CA 3.24Å; L53-G85 WeakPolarHBondContact O-CA 3.08Å; L53-L86 PolarHBondContact O-N 3.39Å; L53-I87 WeakPolarHBondContact CB-O 3.46Å; L53-I87 PolarHBondContact O-N 3.33Å; L53-L89 HydrophobicContact CD1-CB 4.32Å; L53-L89 HydrophobicContact CD1-CD1 4.17Å; L53-L89 HydrophobicContact CD2-CD1 4.11Å |
| 54 | N | 88.3 | Confident | 85 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | trans | -91.4 | 156.4 | 178.8 | -62.5 | -39 | 0 | 0 | 0 | 111.9 | N10 T52 S58 Y59 K61 D84 I87 R95 | N10-N54 PolarHBondContact ND2-ND2 2.95Å; N10-N54 PolarHBondContact ND2-OD1 3.48Å; T52-N54 VanDerWaalsContact C-N 3.31Å; T52-N54 PolarHBondContact O-N 3.38Å; T52-N54 PolarHBondContact OG1-ND2 3.09Å; N54-S58 VanDerWaalsContact CB-OG 3.26Å; N54-S58 WeakPolarHBondContact CB-OG 3.41Å; N54-Y59 WeakPolarHBondContact O-CB 3.44Å; N54-K61 WeakPolarHBondContact ND2-CE 3.41Å; N54-K61 PolarHBondContact ND2-NZ 3.35Å; N54-K61 VanDerWaalsContact ND2-NZ 3.15Å; N54-D84 PolarHBondContact OD1-O 3.43Å; N54-D84 PolarHBondContact OD1-OD1 3.39Å; N54-I87 WeakPolarHBondContact O-CD1 3.36Å; N54-R95 PolarHBondContact O-NH1 3.2Å | ||
| 55 | S | 80.7 | Confident | 84.7 | Confident | 47 Ų | 47 | 30 Ų | 30 | 33% | 0.329 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -70.7 | 161.1 | 172.4 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | S58 | S55-S58 PolarHBondContact O-OG 3.49Š|
| 56 | D | 74.7 | Confident | 83.8 | Confident | 99 Ų | 99 | 32.7 Ų | 32.7 | 53% | 0.529 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | 55.1 | -155.2 | 176.7 | -47.8 | -48.6 | 0 | 0 | 0 | 112.8 | S58 Y59 | D56-S58 PolarHBondContact O-N 2.91Å; D56-Y59 WeakPolarHBondContact O-CD1 3.15Å |
| 57 | I | 76 | Confident | 82.7 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 30% | 0.297 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -66.3 | -19.1 | -179.3 | -56.4 | 147.6 | 0 | 0 | 0 | 112 | Y59 V60 M459 T460 | I57-Y59 PolarHBondContact O-N 2.9Å; I57-V60 PolarHBondContact O-N 3.44Å; I57-V60 VanDerWaalsContact O-N 3.09Å; I57-M459 HydrophobicContact CD1-CB 3.81Å; I57-M459 HydrophobicContact CD1-CE 3.4Å; I57-M459 VanDerWaalsContact CD1-CE 3.4Å; I57-M459 HydrophobicContact CD1-CG 3.9Å; I57-M459 HydrophobicContact CD1-SD 4.32Å; I57-M459 HydrophobicContact CG1-CB 4.03Å; I57-M459 HydrophobicContact CG1-CE 3.54Å; I57-M459 HydrophobicContact CG1-CG 4.36Å; I57-M459 HydrophobicContact CG1-SD 4.36Å; I57-M459 HydrophobicContact CG2-CB 4Å; I57-T460 HydrophobicContact CG2-CG2 4.41Å |
| 58 | S | 77.6 | Confident | 81.8 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -64.3 | -11.5 | -173.3 | 80.5 | 0 | 0 | 0 | 0 | 114.1 | N54 S55 D56 V60 K61 | N54-S58 VanDerWaalsContact CB-OG 3.26Å; N54-S58 WeakPolarHBondContact CB-OG 3.41Å; S55-S58 PolarHBondContact O-OG 3.49Å; D56-S58 PolarHBondContact O-N 2.91Å; S58-V60 PolarHBondContact O-N 3.17Å; S58-K61 VanDerWaalsContact O-CE 3.27Å; S58-K61 WeakPolarHBondContact O-CE 3.07Å; S58-K61 PolarHBondContact O-NZ 3.5Å |
| 59 | Y | 85.2 | Confident | 81 | Confident | 28 Ų | 28 | 42 Ų | 42 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -63.3 | -29.5 | 173.3 | 82.5 | -75.9 | 0 | 0 | 0 | 113.2 | L51 T52 N54 D56 I57 R95 F456 | L51-Y59 CarbonylContact C-O 3.37Å; L51-Y59 WeakPolarHBondContact CA-O 3.32Å; L51-Y59 HydrophobicContact CB-CD2 4.48Å; L51-Y59 HydrophobicContact CD1-CE2 4.46Å; L51-Y59 HydrophobicContact CD2-CD2 4.09Å; L51-Y59 HydrophobicContact CD2-CE2 4.08Å; T52-Y59 PolarHBondContact N-O 3.08Å; T52-Y59 WeakPolarHBondContact O-CB 3.09Å; T52-Y59 WeakPolarHBondContact OG1-CA 3.49Å; T52-Y59 PolarHBondContact OG1-O 2.87Å; N54-Y59 WeakPolarHBondContact O-CB 3.44Å; D56-Y59 WeakPolarHBondContact O-CD1 3.15Å; I57-Y59 PolarHBondContact O-N 2.9Å; Y59-R95 HydrophobicContact CE2-CB 4.08Å; Y59-F456 HydrophobicContact CE1-CE2 4.46Å; Y59-F456 WeakPolarHBondContact OH-CE2 3.48Å |
| 60 | V | 86.4 | Confident | 80.4 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.8 | 178.8 | -170.6 | 0 | 0 | 0 | 0 | 109.2 | L51 I57 S58 T63 F456 T460 | L51-V60 HydrophobicContact CD2-CB 4.18Å; L51-V60 HydrophobicContact CD2-CG1 4.05Å; L51-V60 HydrophobicContact CD2-CG2 3.92Å; I57-V60 PolarHBondContact O-N 3.44Å; I57-V60 VanDerWaalsContact O-N 3.09Å; S58-V60 PolarHBondContact O-N 3.17Å; V60-T63 HydrophobicContact CG1-CG2 3.24Å; V60-F456 HydrophobicContact CG1-CZ 4.37Å; V60-F456 HydrophobicContact CG2-CE2 3.78Å; V60-F456 HydrophobicContact CG2-CZ 3.58Å; V60-T460 HydrophobicContact CB-CG2 4.09Å; V60-T460 HydrophobicContact CG1-CG2 3.91Å; V60-T460 HydrophobicContact CG2-CG2 4.27Å |
| 61 | K | 83 | Confident | 79.9 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -27 | -178.9 | -57.8 | -60.6 | -169.2 | -160.7 | 0 | 112.9 | V50 T52 N54 S58 A77 I81 | V50-K61 HydrophobicContact CB-CB 4.41Å; V50-K61 HydrophobicContact CG1-CB 4.33Å; V50-K61 PolarHBondContact O-N 3.19Å; T52-K61 HydrophobicContact CG2-CD 4.5Å; T52-K61 HydrophobicContact CG2-CG 3.7Å; T52-K61 WeakPolarHBondContact OG1-CE 3.37Å; N54-K61 WeakPolarHBondContact ND2-CE 3.41Å; N54-K61 PolarHBondContact ND2-NZ 3.35Å; N54-K61 VanDerWaalsContact ND2-NZ 3.15Å; S58-K61 VanDerWaalsContact O-CE 3.27Å; S58-K61 WeakPolarHBondContact O-CE 3.07Å; S58-K61 PolarHBondContact O-NZ 3.5Å; K61-A77 WeakPolarHBondContact O-CB 3.1Å; K61-I81 HydrophobicContact CB-CG1 4.48Å; K61-I81 HydrophobicContact CD-CG1 4.45Å; K61-I81 HydrophobicContact CG-CD1 4.32Å; K61-I81 HydrophobicContact CG-CG1 3.96Å |
| 62 | L | 80.1 | Confident | 79.4 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 132.5 | 177.7 | -173.2 | 146.8 | 0 | 0 | 0 | 109.6 | Y48 F49 V50 V69 L73 L74 A77 | Y48-L62 WeakPolarHBondContact O-CD2 3.42Å; F49-L62 WeakPolarHBondContact CA-O 3.48Å; V50-L62 HydrophobicContact CB-CB 3.92Å; V50-L62 HydrophobicContact CG2-CB 4.02Å; V50-L62 PolarHBondContact N-O 2.81Å; V50-L62 VanDerWaalsContact N-O 3.13Å; V50-L62 PolarHBondContact O-N 2.95Å; L62-V69 HydrophobicContact CD1-CG1 3.86Å; L62-V69 HydrophobicContact CD2-CG1 4.11Å; L62-V69 HydrophobicContact CD2-CG2 3.73Å; L62-L73 HydrophobicContact CD1-CG 4.19Å; L62-L74 HydrophobicContact CD1-CB 4.41Å; L62-L74 HydrophobicContact CD1-CD1 4.11Å; L62-A77 HydrophobicContact CB-CB 3.83Å; L62-A77 HydrophobicContact CD1-CB 3.82Å; L62-A77 HydrophobicContact CG-CB 4.4Å |
| 63 | T | 78.3 | Confident | 79 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | trans | -121.2 | 124.4 | 176.1 | 59 | 0 | 0 | 0 | 0 | 111.6 | F49 V60 T460 | F49-T63 HydrophobicContact CD1-CG2 4.48Å; F49-T63 HydrophobicContact CE1-CG2 4.44Å; V60-T63 HydrophobicContact CG1-CG2 3.24Å; T63-T460 HydrophobicContact CG2-CG2 3.86Å | ||
| 64 | G | 72.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -98.3 | 15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y48 F49 | Y48-G64 WeakPolarHBondContact O-CA 3.19Å; Y48-G64 PolarHBondContact O-N 2.98Å; F49-G64 VanDerWaalsContact CE1-N 3.26Å | ||
| 65 | W | 72 | Confident | 78.8 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 6% | 0.057 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -65.7 | -40.9 | -174.2 | -71.5 | 123.1 | 0 | 0 | 0 | 113.6 | F49 M99 N103 Y453 F456 | F49-W65 AromaticContact CE1-CD1 3.41Å; F49-W65 VanDerWaalsContact CE1-CD1 3.41Å; F49-W65 AromaticContact CE1-CD2 3.92Å; F49-W65 HydrophobicContact CE1-CD2 3.92Å; F49-W65 AromaticContact CE1-CE2 3.56Å; F49-W65 AromaticContact CE1-CG 3.79Å; F49-W65 HydrophobicContact CE1-CG 3.79Å; F49-W65 HydrophobicContact CE1-CZ2 4.21Å; F49-W65 AromaticContact CE1-NE1 3.25Å; F49-W65 VanDerWaalsContact CE1-NE1 3.25Å; F49-W65 HydrophobicContact CE2-CD2 4.35Å; F49-W65 HydrophobicContact CE2-CH2 4.49Å; F49-W65 HydrophobicContact CE2-CZ2 4.34Å; F49-W65 HydrophobicContact CZ-CB 4.37Å; F49-W65 AromaticContact CZ-CD1 3.68Å; F49-W65 AromaticContact CZ-CD2 3.35Å; F49-W65 HydrophobicContact CZ-CD2 3.35Å; F49-W65 AromaticContact CZ-CE2 3.3Å; F49-W65 AromaticContact CZ-CE3 3.9Å; F49-W65 HydrophobicContact CZ-CE3 3.9Å; F49-W65 AromaticContact CZ-CG 3.56Å; F49-W65 HydrophobicContact CZ-CG 3.56Å; F49-W65 HydrophobicContact CZ-CH2 4.25Å; F49-W65 AromaticContact CZ-CZ2 3.8Å; F49-W65 HydrophobicContact CZ-CZ2 3.8Å; F49-W65 HydrophobicContact CZ-CZ3 4.29Å; F49-W65 AromaticContact CZ-NE1 3.52Å; W65-M99 HydrophobicContact CZ2-CE 4.43Å; W65-M99 HydrophobicContact CZ2-CG 4.36Å; W65-N103 HydrophobicContact CH2-CB 3.33Å; W65-N103 VanDerWaalsContact CH2-ND2 3.34Å; W65-N103 WeakPolarHBondContact CH2-ND2 3.39Å; W65-N103 HydrophobicContact CZ2-CB 3.78Å; W65-N103 HydrophobicContact CZ3-CB 3.85Å; W65-N103 WeakPolarHBondContact CZ3-ND2 3.42Å; W65-N103 WeakPolarHBondContact CZ3-OD1 3.49Å; W65-Y453 AromaticContact CD2-CE2 3.94Å; W65-Y453 HydrophobicContact CD2-CE2 3.94Å; W65-Y453 HydrophobicContact CE3-CE2 4.33Å; W65-Y453 HydrophobicContact CG-CE2 4.14Å; W65-F456 AromaticContact NE1-CE1 3.95Å |
| 66 | K | 66.2 | Low | 79.1 | Confident | 150 Ų | 150 | 61.9 Ų | 61.9 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -112.6 | -23 | -174.6 | -69.5 | -176.1 | 174.5 | 176.5 | 0 | 114.3 | V457 | K66-V457 HydrophobicContact CD-CG1 4.24Š|
| 67 | Q | 65.1 | Low | 79.7 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -122.2 | 135.3 | -170.9 | -167.1 | 168.7 | 14.3 | 0 | 0 | 110.7 | V69 | Q67-V69 PolarHBondContact O-N 3.24Š|
| 68 | N | 71.6 | Confident | 80.4 | Confident | 133 Ų | 133 | 55 Ų | 55 | 71% | 0.711 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 128 | 168.3 | -73.1 | -27.7 | 0 | 0 | 0 | 108.8 | D70 | N68-D70 PolarHBondContact O-N 2.99Š|
| 69 | V | 76.3 | Confident | 81 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 118.1 | -177 | -180 | 0 | 0 | 0 | 0 | 108.3 | F36 Y48 L62 Q67 L74 | F36-V69 HydrophobicContact CE2-CG1 4.2Å; F36-V69 HydrophobicContact CZ-CG1 4.48Å; F36-V69 WeakPolarHBondContact CZ-O 3.44Å; Y48-V69 HydrophobicContact CD2-CB 4.33Å; L62-V69 HydrophobicContact CD1-CG1 3.86Å; L62-V69 HydrophobicContact CD2-CG1 4.11Å; L62-V69 HydrophobicContact CD2-CG2 3.73Å; Q67-V69 PolarHBondContact O-N 3.24Å; V69-L74 HydrophobicContact CG1-CB 4.34Å |
| 70 | D | 81.3 | Confident | 81.1 | Confident | 80 Ų | 80 | 62 Ų | 62 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 160.1 | 169.3 | -168.7 | 23.6 | 0 | 0 | 0 | 110.8 | N68 Q72 L73 L74 | N68-D70 PolarHBondContact O-N 2.99Å; D70-Q72 PolarHBondContact O-N 2.98Å; D70-L73 PolarHBondContact O-N 3.16Å; D70-L73 VanDerWaalsContact O-N 3.09Å; D70-L74 PolarHBondContact O-N 3.32Å; D70-L74 VanDerWaalsContact O-N 3.08Å |
| 71 | L | 83.6 | Confident | 81.3 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.5 | -35.8 | -179.1 | -172.9 | 66 | 0 | 0 | 0 | 111.9 | E33 F36 K37 L74 H75 | E33-L71 HydrophobicContact CG-CD1 4.35Å; F36-L71 HydrophobicContact CD1-CD1 3.81Å; F36-L71 HydrophobicContact CE1-CB 4.23Å; F36-L71 HydrophobicContact CE1-CD1 4.02Å; K37-L71 HydrophobicContact CG-CD1 4.48Å; L71-L74 HydrophobicContact CD1-CD2 4.4Å; L71-L74 PolarHBondContact O-N 2.71Å; L71-H75 WeakPolarHBondContact CD1-NE2 3.43Å; L71-H75 WeakPolarHBondContact O-CB 3.16Å; L71-H75 PolarHBondContact O-CD2 3.41Å; L71-H75 PolarHBondContact O-N 3.41Å |
| 72 | Q | 83.5 | Confident | 81.7 | Confident | 153 Ų | 153 | 64.4 Ų | 64.4 | 72% | 0.715 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 177.3 | -63.4 | -175.2 | -2.3 | 0 | 0 | 112.4 | D70 H75 S76 | D70-Q72 PolarHBondContact O-N 2.98Å; Q72-H75 PolarHBondContact O-N 3.06Å; Q72-S76 PolarHBondContact O-N 2.93Å |
| 73 | L | 84.9 | Confident | 82.1 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 178.2 | -174.2 | 67.9 | 0 | 0 | 0 | 110.7 | L62 D70 S76 A77 | L62-L73 HydrophobicContact CD1-CG 4.19Å; D70-L73 PolarHBondContact O-N 3.16Å; D70-L73 VanDerWaalsContact O-N 3.09Å; L73-S76 PolarHBondContact O-N 2.89Å; L73-A77 PolarHBondContact O-N 2.65Å |
| 74 | L | 88.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174.4 | -175.4 | 71.3 | 0 | 0 | 0 | 111.4 | V32 F36 V50 L62 V69 D70 L71 S76 A77 L78 | V32-L74 HydrophobicContact CG1-CD1 4.14Å; V32-L74 HydrophobicContact CG1-CD2 4.45Å; F36-L74 HydrophobicContact CB-CD2 3.69Å; F36-L74 HydrophobicContact CD1-CD2 3.89Å; F36-L74 HydrophobicContact CD2-CD2 3.94Å; F36-L74 HydrophobicContact CG-CD2 3.57Å; V50-L74 HydrophobicContact CG2-CD1 3.95Å; L62-L74 HydrophobicContact CD1-CB 4.41Å; L62-L74 HydrophobicContact CD1-CD1 4.11Å; V69-L74 HydrophobicContact CG1-CB 4.34Å; D70-L74 PolarHBondContact O-N 3.32Å; D70-L74 VanDerWaalsContact O-N 3.08Å; L71-L74 HydrophobicContact CD1-CD2 4.4Å; L71-L74 PolarHBondContact O-N 2.71Å; L74-S76 VanDerWaalsContact C-N 3.35Å; L74-S76 PolarHBondContact O-N 2.52Å; L74-A77 PolarHBondContact O-N 3.39Å; L74-L78 HydrophobicContact CD1-CD1 4.44Å; L74-L78 HydrophobicContact CD1-CG 4.47Å; L74-L78 HydrophobicContact CD2-CD1 4.5Å; L74-L78 HydrophobicContact CG-CD1 4.03Å; L74-L78 HydrophobicContact CG-CG 4.39Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-L78 PolarHBondContact O-N 3.01Å |
| 75 | H | 87.4 | Confident | 83.2 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 178.6 | -77.9 | -148.7 | 0 | 0 | 0 | 111.7 | E33 L71 Q72 A77 L78 N79 | E33-H75 WeakPolarHBondContact CG-NE2 3.24Å; E33-H75 IonicContact OE1-CE1 2.67Å; E33-H75 PolarHBondContact OE1-CE1 3.44Å; E33-H75 IonicContact OE1-NE2 3.69Å; E33-H75 PolarHBondContact OE1-NE2 2.96Å; E33-H75 IonicContact OE2-CE1 3.83Å; E33-H75 IonicContact OE2-NE2 3.71Å; L71-H75 WeakPolarHBondContact CD1-NE2 3.43Å; L71-H75 WeakPolarHBondContact O-CB 3.16Å; L71-H75 PolarHBondContact O-CD2 3.41Å; L71-H75 PolarHBondContact O-N 3.41Å; Q72-H75 PolarHBondContact O-N 3.06Å; H75-A77 VanDerWaalsContact C-N 3.35Å; H75-A77 PolarHBondContact O-N 2.73Å; H75-L78 PolarHBondContact O-N 3.18Å; H75-N79 VanDerWaalsContact O-CB 3.27Å; H75-N79 WeakPolarHBondContact O-CB 3.28Å; H75-N79 PolarHBondContact O-N 3.3Å; H75-N79 PolarHBondContact O-ND2 2.69Å; H75-N79 VanDerWaalsContact O-ND2 3.14Å |
| 76 | S | 86 | Confident | 83.8 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | Q72 L73 L74 N79 N80 | Q72-S76 PolarHBondContact O-N 2.93Å; L73-S76 PolarHBondContact O-N 2.89Å; L74-S76 VanDerWaalsContact C-N 3.35Å; L74-S76 PolarHBondContact O-N 2.52Å; S76-N79 PolarHBondContact O-N 3.38Å; S76-N80 VanDerWaalsContact O-CG 3.29Å; S76-N80 PolarHBondContact O-N 3.46Å; S76-N80 PolarHBondContact O-ND2 2.97Å; S76-N80 VanDerWaalsContact O-ND2 3.16Å |
| 77 | A | 87.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 69 Ų | 69 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | K61 L62 L73 L74 H75 N79 N80 I81 | K61-A77 WeakPolarHBondContact O-CB 3.1Å; L62-A77 HydrophobicContact CB-CB 3.83Å; L62-A77 HydrophobicContact CD1-CB 3.82Å; L62-A77 HydrophobicContact CG-CB 4.4Å; L73-A77 PolarHBondContact O-N 2.65Å; L74-A77 PolarHBondContact O-N 3.39Å; H75-A77 VanDerWaalsContact C-N 3.35Å; H75-A77 PolarHBondContact O-N 2.73Å; A77-N79 PolarHBondContact O-N 3.04Å; A77-N80 PolarHBondContact O-N 3.23Å; A77-I81 WeakPolarHBondContact O-CG1 3.25Å |
| 78 | L | 92.1 | Very high | 85.7 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.9 | -68.6 | 177.6 | 0 | 0 | 0 | 112.5 | L8 K29 V32 V50 L74 H75 N80 I81 | L8-L78 HydrophobicContact CD1-CD2 3.95Å; K29-L78 WeakPolarHBondContact CE-O 3.37Å; K29-L78 HydrophobicContact CG-CB 4.38Å; K29-L78 HydrophobicContact CG-CD2 4.33Å; K29-L78 PolarHBondContact NZ-O 3.12Å; V32-L78 HydrophobicContact CB-CD1 4.24Å; V32-L78 HydrophobicContact CB-CD2 4.34Å; V32-L78 HydrophobicContact CG1-CD1 4.09Å; V32-L78 HydrophobicContact CG1-CD2 4.16Å; V50-L78 HydrophobicContact CG1-CD2 4.24Å; L74-L78 HydrophobicContact CD1-CD1 4.44Å; L74-L78 HydrophobicContact CD1-CG 4.47Å; L74-L78 HydrophobicContact CD2-CD1 4.5Å; L74-L78 HydrophobicContact CG-CD1 4.03Å; L74-L78 HydrophobicContact CG-CG 4.39Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-L78 PolarHBondContact O-N 3.01Å; H75-L78 PolarHBondContact O-N 3.18Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.25Å; L78-I81 HydrophobicContact CD2-CD1 4.01Å; L78-I81 PolarHBondContact O-N 3.1Å |
| 79 | N | 89.3 | Confident | 86.4 | Confident | 125 Ų | 125 | 61.8 Ų | 61.8 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.6 | -28.8 | 177.2 | -75 | -24.9 | 0 | 0 | 0 | 112.6 | H75 S76 A77 I81 | H75-N79 VanDerWaalsContact O-CB 3.27Å; H75-N79 WeakPolarHBondContact O-CB 3.28Å; H75-N79 PolarHBondContact O-N 3.3Å; H75-N79 PolarHBondContact O-ND2 2.69Å; H75-N79 VanDerWaalsContact O-ND2 3.14Å; S76-N79 PolarHBondContact O-N 3.38Å; A77-N79 PolarHBondContact O-N 3.04Å; N79-I81 VanDerWaalsContact C-N 3.32Å |
| 80 | N | 86.9 | Confident | 86.8 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.3 | 178 | -71 | -27.3 | 0 | 0 | 0 | 113.9 | S76 A77 L78 K82 | S76-N80 VanDerWaalsContact O-CG 3.29Å; S76-N80 PolarHBondContact O-N 3.46Å; S76-N80 PolarHBondContact O-ND2 2.97Å; S76-N80 VanDerWaalsContact O-ND2 3.16Å; A77-N80 PolarHBondContact O-N 3.23Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.25Å; N80-K82 PolarHBondContact O-N 3.32Å |
| 81 | I | 91.3 | Very high | 86.9 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | trans | -74.4 | 123.6 | 178.1 | -58.5 | 176.3 | 0 | 0 | 0 | 110 | L8 N10 L25 K29 V50 T52 K61 A77 L78 N79 | L8-I81 HydrophobicContact CD1-CD1 3.7Å; N10-I81 HydrophobicContact CB-CG2 3.93Å; L25-I81 HydrophobicContact CD1-CG2 4.19Å; L25-I81 HydrophobicContact CD2-CG2 4.43Å; K29-I81 PolarHBondContact NZ-O 3.05Å; V50-I81 HydrophobicContact CG1-CD1 3.86Å; T52-I81 HydrophobicContact CG2-CD1 3.91Å; T52-I81 HydrophobicContact CG2-CG1 4.06Å; T52-I81 HydrophobicContact CG2-CG2 3.93Å; K61-I81 HydrophobicContact CB-CG1 4.48Å; K61-I81 HydrophobicContact CD-CG1 4.45Å; K61-I81 HydrophobicContact CG-CD1 4.32Å; K61-I81 HydrophobicContact CG-CG1 3.96Å; A77-I81 WeakPolarHBondContact O-CG1 3.25Å; L78-I81 HydrophobicContact CD2-CD1 4.01Å; L78-I81 PolarHBondContact O-N 3.1Å; N79-I81 VanDerWaalsContact C-N 3.32Å | ||
| 82 | K | 90.3 | Very high | 87.1 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 55% | 0.548 | 31% | 0.311 | S | S | . | . | trans | -110.1 | 157.7 | 175.2 | -68.1 | -179.9 | -173.4 | 175.4 | 0 | 109.9 | N10 N80 D84 | N10-K82 WeakPolarHBondContact CB-O 3.44Å; N10-K82 PolarHBondContact ND2-O 3.41Å; N80-K82 PolarHBondContact O-N 3.32Å; K82-D84 WeakPolarHBondContact CB-OD1 3.46Å; K82-D84 PolarHBondContact O-N 3.45Å | ||
| 83 | P | 89.5 | Confident | 87.4 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -81.5 | 58.7 | 177.7 | 36.9 | -40.4 | 0 | 0 | 0 | 111 | N10 N15 L25 | N10-P83 CarbonylContact O-C 3.52Å; N10-P83 WeakPolarHBondContact O-CA 3.05Å; N15-P83 VanDerWaalsContact CG-CG 3.5Å; N15-P83 WeakPolarHBondContact ND2-CB 3.35Å; N15-P83 WeakPolarHBondContact ND2-CG 3.43Å; N15-P83 WeakPolarHBondContact OD1-CB 3.31Å; N15-P83 WeakPolarHBondContact OD1-CG 3.48Å; L25-P83 HydrophobicContact CD2-CB 3.97Å |
| 84 | D | 89 | Confident | 87.5 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | trans | -123.5 | 23 | -175.3 | 58.1 | -11.1 | 0 | 0 | 0 | 113.1 | N10 N54 K82 L86 | N10-D84 PolarHBondContact ND2-OD1 2.75Å; N10-D84 PolarHBondContact O-N 3.43Å; N10-D84 VanDerWaalsContact O-N 3.1Å; N54-D84 PolarHBondContact OD1-O 3.43Å; N54-D84 PolarHBondContact OD1-OD1 3.39Å; K82-D84 WeakPolarHBondContact CB-OD1 3.46Å; K82-D84 PolarHBondContact O-N 3.45Å; D84-L86 PolarHBondContact O-N 3.23Å | ||
| 85 | G | 86 | Confident | 87.4 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -63 | 122.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N10 L53 | N10-G85 PolarHBondContact ND2-N 3.48Å; N10-G85 PolarHBondContact O-N 2.97Å; N10-G85 WeakPolarHBondContact OD1-CA 3.33Å; L53-G85 CarbonylContact O-C 3.6Å; L53-G85 VanDerWaalsContact O-CA 3.24Å; L53-G85 WeakPolarHBondContact O-CA 3.08Å |
| 86 | L | 84.3 | Confident | 87.5 | Confident | 145 Ų | 145 | 51 Ų | 51 | 76% | 0.759 | 27% | 0.274 | S | S | * | . | trans | -108.4 | -16.1 | -177.8 | -65.3 | 176.8 | 0 | 0 | 0 | 112.9 | L53 D84 | L53-L86 PolarHBondContact O-N 3.39Å; D84-L86 PolarHBondContact O-N 3.23Å | ||
| 87 | I | 84.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -98.6 | 146.5 | -173.4 | -67.5 | -173.4 | 0 | 0 | 0 | 110 | L53 N54 T91 | L53-I87 WeakPolarHBondContact CB-O 3.46Å; L53-I87 PolarHBondContact O-N 3.33Å; N54-I87 WeakPolarHBondContact O-CD1 3.36Å; I87-T91 VanDerWaalsContact CG2-CB 3.49Å; I87-T91 HydrophobicContact CG2-CG2 3.77Å |
| 88 | D | 85.6 | Confident | 87.8 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | trans | -65.9 | 147.9 | 176.7 | -59 | -33.7 | 0 | 0 | 0 | 111.8 | S90 T91 G92 | D88-S90 PolarHBondContact O-N 3.28Å; D88-T91 PolarHBondContact O-N 2.85Å; D88-T91 VanDerWaalsContact O-N 3.16Å; D88-G92 PolarHBondContact O-N 2.8Å; D88-G92 VanDerWaalsContact O-N 3.1Å | ||
| 89 | L | 87.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -35.9 | -179.2 | -178.7 | 61.8 | 0 | 0 | 0 | 112.1 | L7 L53 G92 I93 T130 L199 | L7-L89 HydrophobicContact CD2-CD1 3.97Å; L7-L89 HydrophobicContact CG-CD1 4.4Å; L53-L89 HydrophobicContact CD1-CB 4.32Å; L53-L89 HydrophobicContact CD1-CD1 4.17Å; L53-L89 HydrophobicContact CD2-CD1 4.11Å; L89-G92 PolarHBondContact O-N 2.89Å; L89-I93 HydrophobicContact CG-CD1 4.09Å; L89-I93 WeakPolarHBondContact O-CG1 3.24Å; L89-I93 PolarHBondContact O-N 3.22Å; L89-T130 HydrophobicContact CD2-CG2 4.07Å; L89-L199 HydrophobicContact CD2-CD1 4.31Å; L89-L199 HydrophobicContact CD2-CD2 4.34Å |
| 90 | S | 83.8 | Confident | 87.7 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 176 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | D88 G92 I93 Q94 | D88-S90 PolarHBondContact O-N 3.28Å; S90-G92 VanDerWaalsContact C-N 3.29Å; S90-G92 PolarHBondContact O-N 3.4Å; S90-I93 WeakPolarHBondContact O-CB 3.39Å; S90-I93 PolarHBondContact O-N 3.17Å; S90-I93 VanDerWaalsContact O-N 3.16Å; S90-Q94 WeakPolarHBondContact O-CG 3.47Å; S90-Q94 PolarHBondContact O-N 3.13Å |
| 91 | T | 85 | Confident | 87.9 | Confident | 48 Ų | 48 | 41 Ų | 41 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.9 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | I87 D88 Q94 R95 | I87-T91 VanDerWaalsContact CG2-CB 3.49Å; I87-T91 HydrophobicContact CG2-CG2 3.77Å; D88-T91 PolarHBondContact O-N 2.85Å; D88-T91 VanDerWaalsContact O-N 3.16Å; T91-Q94 PolarHBondContact O-N 3.24Å; T91-R95 VanDerWaalsContact O-CG 3.3Å; T91-R95 WeakPolarHBondContact O-CG 3.35Å; T91-R95 PolarHBondContact O-N 3.49Å |
| 92 | G | 87.6 | Confident | 87.7 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D88 L89 S90 T96 | D88-G92 PolarHBondContact O-N 2.8Å; D88-G92 VanDerWaalsContact O-N 3.1Å; L89-G92 PolarHBondContact O-N 2.89Å; S90-G92 VanDerWaalsContact C-N 3.29Å; S90-G92 PolarHBondContact O-N 3.4Å; G92-T96 PolarHBondContact O-N 3.17Å; G92-T96 VanDerWaalsContact O-N 3.08Å; G92-T96 PolarHBondContact O-OG1 3.22Å |
| 93 | I | 89 | Confident | 87.6 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 174.9 | -68.2 | 164.4 | 0 | 0 | 0 | 110.7 | L7 L89 S90 R95 T96 F97 M171 L199 L202 | L7-I93 HydrophobicContact CD2-CB 4.35Å; L7-I93 HydrophobicContact CD2-CG1 3.49Å; L7-I93 VanDerWaalsContact CD2-CG1 3.49Å; L89-I93 HydrophobicContact CG-CD1 4.09Å; L89-I93 WeakPolarHBondContact O-CG1 3.24Å; L89-I93 PolarHBondContact O-N 3.22Å; S90-I93 WeakPolarHBondContact O-CB 3.39Å; S90-I93 PolarHBondContact O-N 3.17Å; S90-I93 VanDerWaalsContact O-N 3.16Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 3.3Å; I93-T96 WeakPolarHBondContact O-CA 3.47Å; I93-T96 VanDerWaalsContact O-CB 3.28Å; I93-T96 WeakPolarHBondContact O-CB 3.38Å; I93-T96 PolarHBondContact O-N 3.36Å; I93-F97 HydrophobicContact CG2-CD2 3.74Å; I93-F97 HydrophobicContact CG2-CE2 3.37Å; I93-F97 HydrophobicContact CG2-CZ 4.23Å; I93-F97 PolarHBondContact O-N 3.45Å; I93-M171 HydrophobicContact CD1-CE 3.89Å; I93-M171 HydrophobicContact CG1-CE 4.36Å; I93-L199 HydrophobicContact CD1-CD1 3.85Å; I93-L202 HydrophobicContact CD1-CD2 4.12Å; I93-L202 HydrophobicContact CG2-CD2 3.88Å |
| 94 | Q | 86.2 | Confident | 87.7 | Confident | 65 Ų | 65 | 33.2 Ų | 33.2 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.2 | -44 | 177.4 | -71.9 | 174.8 | -16.3 | 0 | 0 | 112.1 | S90 T91 T96 F97 R98 | S90-Q94 WeakPolarHBondContact O-CG 3.47Å; S90-Q94 PolarHBondContact O-N 3.13Å; T91-Q94 PolarHBondContact O-N 3.24Å; Q94-T96 VanDerWaalsContact C-N 3.28Å; Q94-T96 PolarHBondContact O-N 2.83Å; Q94-F97 PolarHBondContact O-N 3.5Å; Q94-R98 WeakPolarHBondContact O-CB 3.16Å; Q94-R98 PolarHBondContact O-N 3.04Å |
| 95 | R | 86.8 | Confident | 87.6 | Confident | 62 Ų | 62 | 30 Ų | 30 | 23% | 0.234 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 174.4 | -74 | 173.6 | 177.1 | -168 | -1 | 112.6 | N54 Y59 T91 I93 R98 M99 | N54-R95 PolarHBondContact O-NH1 3.2Å; Y59-R95 HydrophobicContact CE2-CB 4.08Å; T91-R95 VanDerWaalsContact O-CG 3.3Å; T91-R95 WeakPolarHBondContact O-CG 3.35Å; T91-R95 PolarHBondContact O-N 3.49Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 3.3Å; R95-R98 PolarHBondContact O-N 3.3Å; R95-M99 WeakPolarHBondContact O-CB 3.14Å; R95-M99 PolarHBondContact O-N 3.04Å |
| 96 | T | 90.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -48.5 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | V5 L51 G92 I93 Q94 M99 L100 I126 | V5-T96 HydrophobicContact CB-CG2 4.38Å; V5-T96 HydrophobicContact CG1-CG2 3.76Å; L51-T96 HydrophobicContact CD1-CG2 3.95Å; L51-T96 WeakPolarHBondContact CD1-OG1 3.4Å; G92-T96 PolarHBondContact O-N 3.17Å; G92-T96 VanDerWaalsContact O-N 3.08Å; G92-T96 PolarHBondContact O-OG1 3.22Å; I93-T96 WeakPolarHBondContact O-CA 3.47Å; I93-T96 VanDerWaalsContact O-CB 3.28Å; I93-T96 WeakPolarHBondContact O-CB 3.38Å; I93-T96 PolarHBondContact O-N 3.36Å; Q94-T96 VanDerWaalsContact C-N 3.28Å; Q94-T96 PolarHBondContact O-N 2.83Å; T96-M99 PolarHBondContact O-N 2.86Å; T96-L100 HydrophobicContact CG2-CD1 4.45Å; T96-L100 WeakPolarHBondContact O-CG 3.08Å; T96-L100 PolarHBondContact O-N 2.83Å; T96-L100 VanDerWaalsContact O-N 3.17Å; T96-I126 HydrophobicContact CG2-CD1 4.19Å; T96-I126 HydrophobicContact CG2-CG1 4.09Å; T96-I126 HydrophobicContact CG2-CG2 4.28Å |
| 97 | F | 90.9 | Very high | 88 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 175.7 | -71.3 | -49 | 0 | 0 | 0 | 112.5 | I93 Q94 M99 L100 N101 I126 F165 Y169 T206 | I93-F97 HydrophobicContact CG2-CD2 3.74Å; I93-F97 HydrophobicContact CG2-CE2 3.37Å; I93-F97 HydrophobicContact CG2-CZ 4.23Å; I93-F97 PolarHBondContact O-N 3.45Å; Q94-F97 PolarHBondContact O-N 3.5Å; F97-M99 PolarHBondContact O-N 3.35Å; F97-L100 PolarHBondContact O-N 3.29Å; F97-N101 WeakPolarHBondContact O-CB 3.49Å; F97-N101 PolarHBondContact O-N 3.38Å; F97-N101 PolarHBondContact O-ND2 3.16Å; F97-I126 HydrophobicContact CD1-CD1 3.83Å; F97-I126 HydrophobicContact CE1-CD1 3.3Å; F97-I126 HydrophobicContact CZ-CD1 4.04Å; F97-F165 HydrophobicContact CD1-CB 4.03Å; F97-F165 HydrophobicContact CE1-CB 3.64Å; F97-F165 HydrophobicContact CZ-CB 3.96Å; F97-Y169 AromaticContact CD1-CD2 3.92Å; F97-Y169 HydrophobicContact CD1-CD2 3.92Å; F97-Y169 HydrophobicContact CD1-CE2 4.42Å; F97-Y169 HydrophobicContact CE1-CD2 4.17Å; F97-T206 HydrophobicContact CZ-CG2 4.31Å |
| 98 | R | 87 | Confident | 88.1 | Confident | 74 Ų | 74 | 27.8 Ų | 27.8 | 28% | 0.279 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -54.3 | -51.1 | 174 | 175.2 | 173.3 | 177.6 | 162.6 | 1.5 | 111.3 | Q94 R95 L100 N101 V102 E152 V155 E452 | Q94-R98 WeakPolarHBondContact O-CB 3.16Å; Q94-R98 PolarHBondContact O-N 3.04Å; R95-R98 PolarHBondContact O-N 3.3Å; R98-L100 VanDerWaalsContact C-N 3.3Å; R98-L100 PolarHBondContact O-N 3.06Å; R98-N101 PolarHBondContact O-N 2.9Å; R98-V102 HydrophobicContact CG-CG2 4.32Å; R98-V102 WeakPolarHBondContact O-CB 3.42Å; R98-V102 WeakPolarHBondContact O-CG2 3.43Å; R98-V102 PolarHBondContact O-N 3.18Å; R98-E152 IonicContact CZ-OE2 2.87Å; R98-E152 IonicContact NH1-OE2 3.02Å; R98-E152 PolarHBondContact NH1-OE2 3.17Å; R98-E152 IonicContact NH2-OE2 3.23Å; R98-E152 PolarHBondContact NH2-OE2 3.13Å; R98-V155 HydrophobicContact CG-CG1 3.72Å; R98-E452 IonicContact CZ-OE1 2.89Å; R98-E452 VanDerWaalsContact CZ-OE1 3.25Å; R98-E452 IonicContact NE-OE1 2.8Å; R98-E452 PolarHBondContact NE-OE1 2.86Å; R98-E452 IonicContact NH2-OE1 3.99Å; R98-E452 PolarHBondContact NH2-OE1 3.07Å; R98-E452 IonicContact NH2-OE2 3.98Å |
| 99 | M | 88.5 | Confident | 88.2 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 5% | 0.054 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 179.1 | -177.3 | -165.8 | 72.7 | 0 | 0 | 112 | V5 F49 L51 W65 R95 T96 F97 N103 F456 | V5-M99 HydrophobicContact CG2-CE 4.14Å; F49-M99 HydrophobicContact CD1-CE 4.14Å; F49-M99 HydrophobicContact CD1-SD 4.19Å; F49-M99 HydrophobicContact CG-CE 4.16Å; L51-M99 HydrophobicContact CD1-CE 4.29Å; L51-M99 HydrophobicContact CD1-SD 4.45Å; L51-M99 HydrophobicContact CD2-SD 4.45Å; W65-M99 HydrophobicContact CZ2-CE 4.43Å; W65-M99 HydrophobicContact CZ2-CG 4.36Å; R95-M99 WeakPolarHBondContact O-CB 3.14Å; R95-M99 PolarHBondContact O-N 3.04Å; T96-M99 PolarHBondContact O-N 2.86Å; F97-M99 PolarHBondContact O-N 3.35Å; M99-N103 PolarHBondContact O-N 3.28Å; M99-F456 HydrophobicContact CG-CE1 3.97Å; M99-F456 HydrophobicContact CG-CZ 3.9Å; M99-F456 HydrophobicContact SD-CE1 3.98Å; M99-F456 HydrophobicContact SD-CZ 3.77Å |
| 100 | L | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.2 | -42.7 | 179.8 | -65.8 | 174.2 | 0 | 0 | 0 | 112.2 | V3 V5 T96 F97 R98 V102 N103 R104 I126 Y169 | V3-L100 HydrophobicContact CG1-CD2 3.96Å; V5-L100 HydrophobicContact CG2-CD1 4.42Å; V5-L100 HydrophobicContact CG2-CD2 4.07Å; T96-L100 HydrophobicContact CG2-CD1 4.45Å; T96-L100 WeakPolarHBondContact O-CG 3.08Å; T96-L100 PolarHBondContact O-N 2.83Å; T96-L100 VanDerWaalsContact O-N 3.17Å; F97-L100 PolarHBondContact O-N 3.29Å; R98-L100 VanDerWaalsContact C-N 3.3Å; R98-L100 PolarHBondContact O-N 3.06Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 PolarHBondContact O-N 3.03Å; L100-N103 PolarHBondContact O-N 3.38Å; L100-R104 PolarHBondContact O-N 3.26Å; L100-I126 HydrophobicContact CD1-CD1 3.95Å; L100-I126 HydrophobicContact CD1-CG1 4.11Å; L100-Y169 HydrophobicContact CB-CE1 4.34Å; L100-Y169 HydrophobicContact CB-CE2 3.79Å; L100-Y169 WeakPolarHBondContact CB-OH 3.26Å; L100-Y169 HydrophobicContact CD1-CD2 4.43Å; L100-Y169 HydrophobicContact CD1-CE2 4.27Å; L100-Y169 PolarHBondContact O-OH 3Å |
| 101 | N | 90.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 178.2 | -71.4 | -19.8 | 0 | 0 | 0 | 111.5 | F97 R98 N103 R104 L105 T164 Y169 | F97-N101 WeakPolarHBondContact O-CB 3.49Å; F97-N101 PolarHBondContact O-N 3.38Å; F97-N101 PolarHBondContact O-ND2 3.16Å; R98-N101 PolarHBondContact O-N 2.9Å; N101-N103 VanDerWaalsContact C-N 3.33Å; N101-N103 PolarHBondContact O-N 3.44Å; N101-R104 PolarHBondContact O-N 3.31Å; N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 PolarHBondContact O-N 3.12Å; N101-T164 PolarHBondContact ND2-O 3.11Å; N101-Y169 PolarHBondContact N-OH 2.88Å; N101-Y169 VanDerWaalsContact OD1-CE2 3.29Å; N101-Y169 WeakPolarHBondContact OD1-CE2 3.27Å; N101-Y169 PolarHBondContact OD1-OH 3.33Å |
| 102 | V | 87.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.1 | -48 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | R98 L100 Q106 L156 E452 | R98-V102 HydrophobicContact CG-CG2 4.32Å; R98-V102 WeakPolarHBondContact O-CB 3.42Å; R98-V102 WeakPolarHBondContact O-CG2 3.43Å; R98-V102 PolarHBondContact O-N 3.18Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 PolarHBondContact O-N 3.03Å; V102-Q106 VanDerWaalsContact O-CG 3.3Å; V102-Q106 WeakPolarHBondContact O-CG 3.47Å; V102-Q106 PolarHBondContact O-N 3.44Å; V102-Q106 VanDerWaalsContact O-N 3.08Å; V102-L156 HydrophobicContact CB-CD2 3.71Å; V102-L156 HydrophobicContact CG1-CD2 4.02Å; V102-L156 HydrophobicContact CG2-CD1 3.96Å; V102-L156 HydrophobicContact CG2-CD2 3.41Å; V102-L156 VanDerWaalsContact CG2-CD2 3.41Å; V102-L156 HydrophobicContact CG2-CG 4.26Å; V102-E452 HydrophobicContact CG1-CB 4.33Å; V102-E452 HydrophobicContact CG1-CG 4.37Å; V102-E452 HydrophobicContact CG2-CG 4.27Å |
| 103 | N | 89.3 | Confident | 88.4 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 177.3 | -169.9 | 65.5 | 0 | 0 | 0 | 112.6 | W65 M99 L100 N101 L105 Q106 L107 E122 Y453 | W65-N103 HydrophobicContact CH2-CB 3.33Å; W65-N103 VanDerWaalsContact CH2-ND2 3.34Å; W65-N103 WeakPolarHBondContact CH2-ND2 3.39Å; W65-N103 HydrophobicContact CZ2-CB 3.78Å; W65-N103 HydrophobicContact CZ3-CB 3.85Å; W65-N103 WeakPolarHBondContact CZ3-ND2 3.42Å; W65-N103 WeakPolarHBondContact CZ3-OD1 3.49Å; M99-N103 PolarHBondContact O-N 3.28Å; L100-N103 PolarHBondContact O-N 3.38Å; N101-N103 VanDerWaalsContact C-N 3.33Å; N101-N103 PolarHBondContact O-N 3.44Å; N103-L105 VanDerWaalsContact C-N 3.33Å; N103-L105 PolarHBondContact O-N 3.07Å; N103-Q106 VanDerWaalsContact O-CG 3.29Å; N103-Q106 WeakPolarHBondContact O-CG 3.47Å; N103-Q106 PolarHBondContact OD1-NE2 3.06Å; N103-L107 WeakPolarHBondContact ND2-CD1 3.35Å; N103-L107 WeakPolarHBondContact O-CB 3.35Å; N103-L107 VanDerWaalsContact O-CG 3.24Å; N103-L107 WeakPolarHBondContact O-CG 3.48Å; N103-L107 PolarHBondContact O-N 2.85Å; N103-L107 VanDerWaalsContact O-N 3.16Å; N103-E122 PolarHBondContact ND2-OE1 3.19Å; N103-E122 PolarHBondContact ND2-OE2 2.99Å; N103-Y453 HydrophobicContact CB-CD2 4.45Å; N103-Y453 HydrophobicContact CB-CE2 4.43Å; N103-Y453 VanDerWaalsContact OD1-CE2 3.27Å; N103-Y453 WeakPolarHBondContact OD1-CE2 3.49Å |
| 104 | R | 90.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 179.1 | -169.7 | 178.3 | 175.5 | 74.8 | 8.3 | 112.3 | L100 N101 G108 L109 E110 C120 W167 D168 | L100-R104 PolarHBondContact O-N 3.26Å; N101-R104 PolarHBondContact O-N 3.31Å; R104-G108 PolarHBondContact O-N 3.49Å; R104-L109 HydrophobicContact CG-CB 3.8Å; R104-L109 HydrophobicContact CG-CD1 4.11Å; R104-L109 HydrophobicContact CG-CG 4.49Å; R104-L109 PolarHBondContact O-N 3.48Å; R104-E110 WeakPolarHBondContact CD-OE1 3.09Å; R104-E110 HydrophobicContact CG-CG 4.37Å; R104-E110 IonicContact CZ-OE1 2.68Å; R104-E110 IonicContact NE-OE1 3.34Å; R104-E110 PolarHBondContact NE-OE1 3.35Å; R104-C120 PolarHBondContact NH2-O 3.1Å; R104-W167 VanDerWaalsContact NH2-NE1 3.14Å; R104-D168 IonicContact CZ-OD1 2.73Å; R104-D168 IonicContact CZ-OD2 4Å; R104-D168 VanDerWaalsContact NH1-CG 3.32Å; R104-D168 IonicContact NH1-OD1 2.6Å; R104-D168 PolarHBondContact NH1-OD1 2.9Å; R104-D168 IonicContact NH1-OD2 3.04Å; R104-D168 PolarHBondContact NH1-OD2 2.99Å |
| 105 | L | 88 | Confident | 88.6 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 6% | 0.063 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.8 | -40.9 | -177.8 | -171.5 | 56.5 | 0 | 0 | 0 | 112.2 | N101 N103 L107 G108 E110 L156 L445 A449 | N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 PolarHBondContact O-N 3.12Å; N103-L105 VanDerWaalsContact C-N 3.33Å; N103-L105 PolarHBondContact O-N 3.07Å; L105-L107 VanDerWaalsContact C-N 3.32Å; L105-L107 PolarHBondContact O-N 3.41Å; L105-G108 PolarHBondContact O-N 2.85Å; L105-E110 HydrophobicContact CD1-CB 4.25Å; L105-E110 HydrophobicContact CD1-CG 4.46Å; L105-L156 HydrophobicContact CB-CD2 4.15Å; L105-L156 HydrophobicContact CD2-CB 3.7Å; L105-L156 HydrophobicContact CD2-CD2 3.7Å; L105-L156 HydrophobicContact CD2-CG 3.7Å; L105-L156 HydrophobicContact CG-CD2 4.44Å; L105-L445 HydrophobicContact CD1-CD2 4.11Å; L105-L445 HydrophobicContact CD1-CG 4.18Å; L105-L445 HydrophobicContact CD2-CD1 3.82Å; L105-L445 HydrophobicContact CD2-CD2 3.96Å; L105-L445 HydrophobicContact CD2-CG 3.51Å; L105-L445 HydrophobicContact CG-CG 4.28Å; L105-A449 HydrophobicContact CB-CB 3.85Å; L105-A449 HydrophobicContact CD2-CB 3.85Å; L105-A449 HydrophobicContact CG-CB 3.73Å |
| 106 | Q | 88.7 | Confident | 88.9 | Confident | 29 Ų | 29 | 21 Ų | 21 | 14% | 0.136 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 177.2 | 67.3 | 121.9 | -0.9 | 0 | 0 | 112.5 | V102 N103 G108 R446 A449 K450 Y453 | V102-Q106 VanDerWaalsContact O-CG 3.3Å; V102-Q106 WeakPolarHBondContact O-CG 3.47Å; V102-Q106 PolarHBondContact O-N 3.44Å; V102-Q106 VanDerWaalsContact O-N 3.08Å; N103-Q106 VanDerWaalsContact O-CG 3.29Å; N103-Q106 WeakPolarHBondContact O-CG 3.47Å; N103-Q106 PolarHBondContact OD1-NE2 3.06Å; Q106-G108 PolarHBondContact O-N 2.8Å; Q106-R446 PolarHBondContact O-NE 3.43Å; Q106-R446 PolarHBondContact O-NH2 2.99Å; Q106-A449 HydrophobicContact CB-CB 4.15Å; Q106-K450 HydrophobicContact CB-CB 4.2Å; Q106-Y453 HydrophobicContact CG-CD2 4.33Å; Q106-Y453 HydrophobicContact CG-CG 4.13Å; Q106-Y453 VanDerWaalsContact NE2-CZ 3.35Å |
| 107 | L | 88.6 | Confident | 88.9 | Confident | 81 Ų | 81 | 23 Ų | 23 | 42% | 0.424 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -66.7 | -18 | 172.9 | -70.1 | 177.4 | 0 | 0 | 0 | 112.6 | N103 L105 L109 | N103-L107 WeakPolarHBondContact ND2-CD1 3.35Å; N103-L107 WeakPolarHBondContact O-CB 3.35Å; N103-L107 VanDerWaalsContact O-CG 3.24Å; N103-L107 WeakPolarHBondContact O-CG 3.48Å; N103-L107 PolarHBondContact O-N 2.85Å; N103-L107 VanDerWaalsContact O-N 3.16Å; L105-L107 VanDerWaalsContact C-N 3.32Å; L105-L107 PolarHBondContact O-N 3.41Å; L107-L109 HydrophobicContact CB-CD1 4.23Å; L107-L109 HydrophobicContact CB-CG 3.92Å; L107-L109 HydrophobicContact CD1-CD1 4.09Å |
| 108 | G | 86.8 | Confident | 88.9 | Confident | 33 Ų | 33 | 22.8 Ų | 22.8 | 34% | 0.34 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 32.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R104 L105 Q106 E110 | R104-G108 PolarHBondContact O-N 3.49Å; L105-G108 PolarHBondContact O-N 2.85Å; Q106-G108 PolarHBondContact O-N 2.8Å; G108-E110 VanDerWaalsContact C-N 3.3Å |
| 109 | L | 88.9 | Confident | 89 | Confident | 32 Ų | 32 | 20.4 Ų | 20.4 | 17% | 0.168 | 11% | 0.112 | C | C | . | . | trans | -79.6 | -15.5 | 177.2 | -61 | 176.9 | 0 | 0 | 0 | 112.7 | R104 L107 C120 E122 | R104-L109 HydrophobicContact CG-CB 3.8Å; R104-L109 HydrophobicContact CG-CD1 4.11Å; R104-L109 HydrophobicContact CG-CG 4.49Å; R104-L109 PolarHBondContact O-N 3.48Å; L107-L109 HydrophobicContact CB-CD1 4.23Å; L107-L109 HydrophobicContact CB-CG 3.92Å; L107-L109 HydrophobicContact CD1-CD1 4.09Å; L109-C120 HydrophobicContact CD2-CB 4.49Å; L109-E122 HydrophobicContact CD1-CB 3.7Å | ||
| 110 | E | 85.8 | Confident | 89 | Confident | 34 Ų | 34 | 21.4 Ų | 21.4 | 16% | 0.159 | 12% | 0.12 | C | C | . | . | trans | -88.8 | 121.2 | 174 | -66.4 | -63.2 | 167.5 | 0 | 0 | 110.8 | R104 L105 G108 Y112 R166 | R104-E110 WeakPolarHBondContact CD-OE1 3.09Å; R104-E110 HydrophobicContact CG-CG 4.37Å; R104-E110 IonicContact CZ-OE1 2.68Å; R104-E110 IonicContact NE-OE1 3.34Å; R104-E110 PolarHBondContact NE-OE1 3.35Å; L105-E110 HydrophobicContact CD1-CB 4.25Å; L105-E110 HydrophobicContact CD1-CG 4.46Å; G108-E110 VanDerWaalsContact C-N 3.3Å; E110-Y112 HydrophobicContact CB-CD2 4.06Å; E110-Y112 HydrophobicContact CB-CE2 3.56Å; E110-Y112 HydrophobicContact CG-CE2 4.02Å; E110-R166 WeakPolarHBondContact OE1-CD 3.4Å; E110-R166 IonicContact OE1-NE 2.96Å; E110-R166 PolarHBondContact OE1-NE 2.96Å | ||
| 111 | N | 86.9 | Confident | 89 | Confident | 30 Ų | 30 | 22.2 Ų | 22.2 | 16% | 0.16 | 12% | 0.124 | C | C | . | . | trans | -122.5 | 47.8 | -172 | 65.5 | -21.4 | 0 | 0 | 0 | 111.8 | G113 M114 G115 Y117 R289 | N111-G113 PolarHBondContact O-N 2.98Å; N111-M114 HydrophobicContact CB-CB 4.48Å; N111-M114 WeakPolarHBondContact O-CB 3.21Å; N111-M114 PolarHBondContact O-N 3.13Å; N111-G115 PolarHBondContact ND2-O 3.06Å; N111-G115 PolarHBondContact OD1-O 2.97Å; N111-Y117 WeakPolarHBondContact ND2-CD2 3.48Å; N111-R289 PolarHBondContact O-NH2 3.25Å; N111-R289 PolarHBondContact OD1-NH1 3.02Å | ||
| 112 | Y | 88.3 | Confident | 88.9 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 130.3 | -178.9 | -59.6 | -68.6 | 0 | 0 | 0 | 112.8 | E110 M114 L160 T161 R289 L442 | E110-Y112 HydrophobicContact CB-CD2 4.06Å; E110-Y112 HydrophobicContact CB-CE2 3.56Å; E110-Y112 HydrophobicContact CG-CE2 4.02Å; Y112-M114 VanDerWaalsContact C-N 3.27Å; Y112-M114 PolarHBondContact O-N 3.01Å; Y112-L160 HydrophobicContact CD1-CB 3.88Å; Y112-L160 HydrophobicContact CD1-CD1 4.5Å; Y112-L160 HydrophobicContact CD2-CB 4.16Å; Y112-L160 HydrophobicContact CD2-CD1 3.5Å; Y112-L160 HydrophobicContact CD2-CG 4.47Å; Y112-L160 HydrophobicContact CE1-CB 3.7Å; Y112-L160 WeakPolarHBondContact CE1-O 3Å; Y112-L160 HydrophobicContact CE2-CB 3.96Å; Y112-L160 HydrophobicContact CE2-CD1 3.81Å; Y112-L160 HydrophobicContact CG-CB 4.12Å; Y112-L160 HydrophobicContact CG-CD1 3.88Å; Y112-T161 WeakPolarHBondContact CE1-OG1 3.4Å; Y112-T161 PolarHBondContact OH-OG1 3.12Å; Y112-R289 VanDerWaalsContact CA-CZ 3.5Å; Y112-R289 VanDerWaalsContact CA-NH2 3.35Å; Y112-R289 HydrophobicContact CD1-CG 4.17Å; Y112-R289 HydrophobicContact CE1-CG 4.39Å; Y112-L442 HydrophobicContact CD2-CD2 4Å |
| 113 | G | 85.7 | Confident | 89.2 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N111 E273 Y407 | N111-G113 PolarHBondContact O-N 2.98Å; G113-E273 WeakPolarHBondContact CA-OE1 3.28Å; G113-E273 PolarHBondContact N-OE1 2.87Å; G113-Y407 VanDerWaalsContact O-CD1 3.29Å; G113-Y407 WeakPolarHBondContact O-CD1 3.41Å |
| 114 | M | 88.7 | Confident | 89.4 | Confident | 51 Ų | 51 | 22.2 Ų | 22.2 | 25% | 0.251 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -116.2 | 26.7 | -177.1 | -61.1 | -62.5 | -66.1 | 0 | 0 | 113.2 | N111 Y112 A433 L434 | N111-M114 HydrophobicContact CB-CB 4.48Å; N111-M114 WeakPolarHBondContact O-CB 3.21Å; N111-M114 PolarHBondContact O-N 3.13Å; Y112-M114 VanDerWaalsContact C-N 3.27Å; Y112-M114 PolarHBondContact O-N 3.01Å; M114-A433 HydrophobicContact CE-CB 4.46Å; M114-L434 HydrophobicContact CG-CD1 4.49Å; M114-L434 HydrophobicContact SD-CB 3.95Å; M114-L434 HydrophobicContact SD-CD1 4.09Å; M114-L434 HydrophobicContact SD-CG 4.42Å |
| 115 | G | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | 69 | -173.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N111 R289 | N111-G115 PolarHBondContact ND2-O 3.06Å; N111-G115 PolarHBondContact OD1-O 2.97Å; G115-R289 PolarHBondContact O-NH2 3.29Å | ||
| 116 | I | 92.5 | Very high | 90 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 10% | 0.097 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -120.7 | 111.5 | -177.7 | -58.6 | 169.4 | 0 | 0 | 0 | 109.1 | P118 W167 P270 I271 P293 | I116-P118 WeakPolarHBondContact O-CD 3.33Å; I116-W167 HydrophobicContact CG2-CE3 4.42Å; I116-W167 HydrophobicContact CG2-CH2 3.43Å; I116-W167 VanDerWaalsContact CG2-CH2 3.43Å; I116-W167 HydrophobicContact CG2-CZ2 3.71Å; I116-W167 HydrophobicContact CG2-CZ3 3.88Å; I116-P270 CarbonylContact O-C 3.51Å; I116-P270 WeakPolarHBondContact O-CA 3.45Å; I116-I271 HydrophobicContact CB-CB 4.28Å; I116-I271 PolarHBondContact N-O 3.48Å; I116-I271 PolarHBondContact O-N 3.38Å; I116-P293 HydrophobicContact CD1-CB 4.26Å |
| 117 | Y | 92.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 20.2 Ų | 20.2 | 17% | 0.165 | 11% | 0.114 | C | C | . | . | trans | -88.5 | 119.7 | 178.9 | -74.8 | -74.7 | 0 | 0 | 0 | 111.4 | N111 S119 C120 S267 P270 P411 | N111-Y117 WeakPolarHBondContact ND2-CD2 3.48Å; Y117-S119 PolarHBondContact O-N 3.32Å; Y117-S119 VanDerWaalsContact O-N 3.09Å; Y117-C120 WeakPolarHBondContact O-CB 3.08Å; Y117-C120 PolarHBondContact O-N 2.85Å; Y117-S267 WeakPolarHBondContact CB-OG 3.45Å; Y117-S267 VanDerWaalsContact CD1-OG 3.29Å; Y117-S267 WeakPolarHBondContact CD1-OG 3.49Å; Y117-P270 HydrophobicContact CD1-CB 4.01Å; Y117-P270 HydrophobicContact CD2-CB 4.39Å; Y117-P270 HydrophobicContact CE1-CB 3.81Å; Y117-P270 HydrophobicContact CE1-CG 4.01Å; Y117-P270 HydrophobicContact CE2-CB 4.12Å; Y117-P270 HydrophobicContact CG-CB 4.3Å; Y117-P411 HydrophobicContact CE1-CG 4.5Å; Y117-P411 WeakPolarHBondContact OH-CG 3.49Å | ||
| 118 | P | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.9 | 175.1 | -22.7 | 34.5 | 0 | 0 | 0 | 115.2 | I116 I121 W167 M258 V260 I271 Y316 I368 | I116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-I121 VanDerWaalsContact O-CG2 3.22Å; P118-I121 WeakPolarHBondContact O-CG2 3.39Å; P118-W167 VanDerWaalsContact CA-CH2 3.42Å; P118-W167 HydrophobicContact CB-CH2 4.13Å; P118-W167 HydrophobicContact CG-CH2 4.29Å; P118-M258 HydrophobicContact CB-CE 4.01Å; P118-M258 HydrophobicContact CG-CE 4.14Å; P118-V260 VanDerWaalsContact O-CG1 3.27Å; P118-V260 WeakPolarHBondContact O-CG1 3.49Å; P118-I271 HydrophobicContact CG-CD1 4.17Å; P118-I271 HydrophobicContact CG-CG1 4.33Å; P118-Y316 HydrophobicContact CB-CE1 3.96Å; P118-Y316 HydrophobicContact CB-CE2 3.96Å; P118-Y316 HydrophobicContact CG-CE2 3.85Å; P118-I368 HydrophobicContact CG-CD1 3.83Å |
| 119 | S | 87.5 | Confident | 91.1 | Very high | 23 Ų | 23 | 14.8 Ų | 14.8 | 16% | 0.161 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -18.4 | 171.7 | 63.9 | 0 | 0 | 0 | 0 | 114.9 | Y117 I121 S267 | Y117-S119 PolarHBondContact O-N 3.32Å; Y117-S119 VanDerWaalsContact O-N 3.09Å; S119-I121 PolarHBondContact O-N 3.34Å; S119-S267 VanDerWaalsContact CB-N 3.26Å; S119-S267 WeakPolarHBondContact CB-OG 3.17Å; S119-S267 PolarHBondContact N-OG 3.28Å; S119-S267 PolarHBondContact OG-N 3.02Å; S119-S267 PolarHBondContact OG-OG 3.48Å |
| 120 | C | 89.3 | Confident | 91.3 | Very high | 33 Ų | 33 | 13.3 Ų | 13.3 | 22% | 0.223 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -82.9 | 67.2 | -178.8 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | R104 L109 Y117 | R104-C120 PolarHBondContact NH2-O 3.1Å; L109-C120 HydrophobicContact CD2-CB 4.49Å; Y117-C120 WeakPolarHBondContact O-CB 3.08Å; Y117-C120 PolarHBondContact O-N 2.85Å |
| 121 | I | 90.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 12.8 Ų | 12.8 | 9% | 0.092 | 7% | 0.07 | C | C | . | . | trans | -126.1 | 146.7 | -174.1 | 62.3 | 159.7 | 0 | 0 | 0 | 112.5 | P118 S119 W167 D168 V234 V260 L262 | P118-I121 VanDerWaalsContact O-CG2 3.22Å; P118-I121 WeakPolarHBondContact O-CG2 3.39Å; S119-I121 PolarHBondContact O-N 3.34Å; I121-W167 HydrophobicContact CG2-CZ2 3.91Å; I121-D168 WeakPolarHBondContact CA-OD2 3.34Å; I121-D168 HydrophobicContact CB-CB 4.44Å; I121-D168 HydrophobicContact CG2-CB 4.5Å; I121-V234 HydrophobicContact CB-CG1 4.48Å; I121-V234 HydrophobicContact CG2-CG1 3.4Å; I121-V260 HydrophobicContact CD1-CB 3.7Å; I121-V260 HydrophobicContact CD1-CG1 3.77Å; I121-V260 HydrophobicContact CD1-CG2 4.33Å; I121-V260 HydrophobicContact CG1-CG1 4.45Å; I121-L262 HydrophobicContact CD1-CD1 4.15Å; I121-L262 HydrophobicContact CG1-CD1 3.83Å | ||
| 122 | E | 90 | Very high | 90.6 | Very high | 10 Ų | 10 | 13 Ų | 13 | 5% | 0.047 | 7% | 0.074 | C | C | . | . | trans | -134.4 | 82.1 | 165.7 | -172.5 | 175.9 | -148.5 | 0 | 0 | 107.5 | V3 R47 N103 L109 S124 D168 | V3-E122 HydrophobicContact CG2-CG 4.04Å; R47-E122 IonicContact NH1-OE1 3.1Å; N103-E122 PolarHBondContact ND2-OE1 3.19Å; N103-E122 PolarHBondContact ND2-OE2 2.99Å; L109-E122 HydrophobicContact CD1-CB 3.7Å; E122-S124 PolarHBondContact O-N 2.69Å; E122-S124 VanDerWaalsContact O-N 3.09Å; E122-S124 PolarHBondContact O-OG 3.38Å; E122-D168 PolarHBondContact N-OD2 3.32Å | ||
| 123 | P | 92.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 13.5 Ų | 13.5 | 5% | 0.052 | 8% | 0.077 | C | C | . | . | trans | -59.5 | 119.7 | -171.3 | 22.9 | -32.7 | 0 | 0 | 0 | 110.5 | M1 T2 V3 P232 | M1-P123 WeakPolarHBondContact O-CG 3.39Å; T2-P123 WeakPolarHBondContact CA-O 3.42Å; T2-P123 HydrophobicContact CG2-CB 4.15Å; T2-P123 HydrophobicContact CG2-CG 3.87Å; V3-P123 PolarHBondContact N-O 3.1Å; P123-P232 HydrophobicContact CB-CB 4.39Å; P123-P232 HydrophobicContact CG-CB 3.94Å | ||
| 124 | S | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.4 | -175.8 | -59 | 0 | 0 | 0 | 0 | 110.3 | V3 E122 D168 Y169 R170 | V3-S124 CarbonylContact O-C 3.53Å; V3-S124 VanDerWaalsContact O-CA 3.27Å; V3-S124 WeakPolarHBondContact O-CA 3.41Å; E122-S124 PolarHBondContact O-N 2.69Å; E122-S124 VanDerWaalsContact O-N 3.09Å; E122-S124 PolarHBondContact O-OG 3.38Å; S124-D168 PolarHBondContact N-O 3.08Å; S124-Y169 WeakPolarHBondContact O-CA 3.48Å; S124-R170 PolarHBondContact O-N 3.34Å |
| 125 | V | 95.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.8 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | V3 I4 V5 I127 R170 Y172 C230 | V3-V125 PolarHBondContact O-N 3.33Å; I4-V125 CarbonylContact C-O 3.38Å; I4-V125 WeakPolarHBondContact CA-O 3.23Å; V5-V125 PolarHBondContact N-O 2.88Å; V125-I127 HydrophobicContact CG1-CG1 4.26Å; V125-R170 CarbonylContact C-O 3.51Å; V125-R170 WeakPolarHBondContact CA-O 3.47Å; V125-Y172 HydrophobicContact CG1-CD2 3.59Å; V125-Y172 HydrophobicContact CG1-CE2 3.68Å; V125-C230 HydrophobicContact CG2-CB 4.41Å |
| 126 | I | 96.3 | Very high | 83.9 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.6 | 179 | -59.7 | 154.7 | 0 | 0 | 0 | 107.6 | V5 T96 F97 L100 R170 M171 Y172 | V5-I126 HydrophobicContact CB-CG1 4.37Å; V5-I126 CarbonylContact O-C 3.59Å; V5-I126 WeakPolarHBondContact O-CA 3.48Å; T96-I126 HydrophobicContact CG2-CD1 4.19Å; T96-I126 HydrophobicContact CG2-CG1 4.09Å; T96-I126 HydrophobicContact CG2-CG2 4.28Å; F97-I126 HydrophobicContact CD1-CD1 3.83Å; F97-I126 HydrophobicContact CE1-CD1 3.3Å; F97-I126 HydrophobicContact CZ-CD1 4.04Å; L100-I126 HydrophobicContact CD1-CD1 3.95Å; L100-I126 HydrophobicContact CD1-CG1 4.11Å; I126-R170 PolarHBondContact N-O 3.24Å; I126-M171 HydrophobicContact CB-CB 4.38Å; I126-M171 HydrophobicContact CB-CG 4.33Å; I126-M171 HydrophobicContact CG2-CG 4.3Å; I126-M171 CarbonylContact O-C 3.42Å; I126-M171 WeakPolarHBondContact O-CA 3.46Å; I126-Y172 PolarHBondContact O-N 3.3Å |
| 127 | I | 96.7 | Very high | 81.4 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 103.8 | 175.7 | -57.6 | 169.9 | 0 | 0 | 0 | 106.9 | I4 V5 F6 L7 F35 V125 I129 Y172 L174 L226 | I4-I127 HydrophobicContact CG2-CD1 4.21Å; V5-I127 PolarHBondContact O-N 2.97Å; F6-I127 WeakPolarHBondContact CA-O 3.48Å; F6-I127 HydrophobicContact CD1-CB 3.93Å; F6-I127 HydrophobicContact CD1-CD1 4.19Å; F6-I127 HydrophobicContact CD1-CG2 4.23Å; F6-I127 HydrophobicContact CE1-CB 4.24Å; F6-I127 HydrophobicContact CE1-CD1 3.64Å; F6-I127 HydrophobicContact CE1-CG2 4.42Å; F6-I127 HydrophobicContact CZ-CD1 4.31Å; L7-I127 PolarHBondContact N-O 3.37Å; F35-I127 HydrophobicContact CD1-CD1 4.38Å; F35-I127 HydrophobicContact CD2-CD1 4.11Å; F35-I127 HydrophobicContact CE1-CD1 4.05Å; F35-I127 HydrophobicContact CE2-CD1 3.81Å; F35-I127 HydrophobicContact CG-CD1 4.38Å; F35-I127 HydrophobicContact CZ-CD1 3.74Å; V125-I127 HydrophobicContact CG1-CG1 4.26Å; I127-I129 HydrophobicContact CG2-CG1 4.23Å; I127-Y172 WeakPolarHBondContact CA-O 3.4Å; I127-L174 HydrophobicContact CG2-CD1 3.9Å; I127-L174 HydrophobicContact CG2-CG 4.27Å; I127-L226 HydrophobicContact CD1-CD2 3.52Å; I127-L226 HydrophobicContact CG1-CD1 4.44Å; I127-L226 HydrophobicContact CG1-CD2 3.92Å; I127-L226 HydrophobicContact CG2-CD1 4.46Å |
| 128 | C | 95.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | L7 M171 Y172 S173 L174 | L7-C128 WeakPolarHBondContact O-CA 3.24Å; C128-M171 HydrophobicContact CB-CE 3.86Å; C128-Y172 PolarHBondContact N-O 2.96Å; C128-S173 CarbonylContact O-C 3.51Å; C128-S173 WeakPolarHBondContact O-CA 3.36Å; C128-L174 PolarHBondContact O-N 2.83Å |
| 129 | I | 95.3 | Very high | 76.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.8 | 177.9 | -47.1 | -171.3 | 0 | 0 | 0 | 108.6 | L7 L8 D9 A28 A31 V32 I127 L174 L176 | L7-I129 PolarHBondContact O-N 2.81Å; L8-I129 HydrophobicContact CD2-CB 3.88Å; L8-I129 HydrophobicContact CD2-CD1 3.62Å; L8-I129 HydrophobicContact CD2-CG1 3.8Å; D9-I129 WeakPolarHBondContact CB-O 3.25Å; D9-I129 PolarHBondContact N-O 2.93Å; A28-I129 HydrophobicContact CB-CB 4.37Å; A28-I129 HydrophobicContact CB-CG2 3.66Å; A31-I129 HydrophobicContact CB-CD1 4.12Å; V32-I129 HydrophobicContact CG2-CD1 4.06Å; I127-I129 HydrophobicContact CG2-CG1 4.23Å; I129-L174 WeakPolarHBondContact CA-O 3.44Å; I129-L174 HydrophobicContact CD1-CD1 4.14Å; I129-L174 HydrophobicContact CG1-CB 4.26Å; I129-L174 HydrophobicContact CG1-CD1 4.12Å; I129-L174 HydrophobicContact CG2-CB 4.36Å; I129-L176 HydrophobicContact CG2-CD1 3.72Å; I129-L176 HydrophobicContact CG2-CD2 4.26Å; I129-L176 HydrophobicContact CG2-CG 3.89Å |
| 130 | T | 92.7 | Very high | 74.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160.6 | -178 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | D9 L89 S132 L174 V175 L176 L199 | D9-T130 PolarHBondContact OD2-OG1 3.31Å; L89-T130 HydrophobicContact CD2-CG2 4.07Å; T130-S132 PolarHBondContact OG1-N 3.43Å; T130-L174 PolarHBondContact N-O 3.45Å; T130-V175 HydrophobicContact CG2-CG2 4.47Å; T130-V175 CarbonylContact O-C 3.59Å; T130-V175 WeakPolarHBondContact O-CA 3.34Å; T130-L176 PolarHBondContact O-N 2.93Å; T130-L199 HydrophobicContact CG2-CD2 3.71Å |
| 131 | C | 87.5 | Confident | 72.2 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -90 | -25 | 172.8 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | A13 M14 L24 | A13-C131 VanDerWaalsContact CB-SG 3.6Å; M14-C131 HydrophobicContact SD-CB 3.62Å; L24-C131 HydrophobicContact CD1-CB 3.64Å |
| 132 | S | 70.3 | Confident | 69.9 | Low | 36 Ų | 36 | 34.4 Ų | 34.4 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | trans | -128.5 | 139.4 | -167.3 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | T130 S135 | T130-S132 PolarHBondContact OG1-N 3.43Å; S132-S135 PolarHBondContact OG-OG 3.37Å | ||
| 133 | I | 61.9 | Low | 67.6 | Low | 15 Ų | 15 | 37.5 Ų | 37.5 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86.5 | -31.4 | 170.7 | -81.5 | 155.8 | 0 | 0 | 0 | 111.9 | V175 E194 | I133-V175 HydrophobicContact CD1-CG1 4.03Å; I133-V175 HydrophobicContact CD1-CG2 4.27Å; I133-V175 HydrophobicContact CG1-CG1 4.18Å; I133-V175 HydrophobicContact CG1-CG2 4.13Å; I133-E194 VanDerWaalsContact CG2-OE2 3.27Å; I133-E194 WeakPolarHBondContact CG2-OE2 3.47Å |
| 134 | G | 50.8 | Low | 65.1 | Low | 71 Ų | 71 | 42.9 Ų | 42.9 | 73% | 0.732 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | C136 | G134-C136 VanDerWaalsContact C-N 3.32Š|
| 135 | S | 48.6 | Very low | 62.2 | Low | 69 Ų | 69 | 45.1 Ų | 45.1 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.9 | 177.6 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | S132 S137 | S132-S135 PolarHBondContact OG-OG 3.37Å; S135-S137 PolarHBondContact O-N 3.11Å |
| 136 | C | 50.9 | Low | 59.3 | Low | 15 Ų | 15 | 46.6 Ų | 46.6 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | trans | -88.3 | 92.1 | 173.8 | -62.3 | 0 | 0 | 0 | 0 | 109 | G134 F138 P198 | G134-C136 VanDerWaalsContact C-N 3.32Å; C136-F138 HydrophobicContact CB-CD2 3.85Å; C136-F138 HydrophobicContact CB-CE2 4.29Å; C136-F138 PolarHBondContact O-N 3.37Å; C136-P198 HydrophobicContact CB-CG 3.99Å | ||
| 137 | S | 40 | Very low | 56.3 | Low | 99 Ų | 99 | 49.5 Ų | 49.5 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | trans | -69.1 | 75.8 | 158.7 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | S135 D139 | S135-S137 PolarHBondContact O-N 3.11Å; S137-D139 PolarHBondContact O-N 3.44Å | ||
| 138 | F | 49.6 | Very low | 53 | Low | 37 Ų | 37 | 53.3 Ų | 53.3 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | trans | -73.2 | 83.8 | 155.7 | -90 | -91 | 0 | 0 | 0 | 105.4 | C136 G140 V142 F143 P198 L202 | C136-F138 HydrophobicContact CB-CD2 3.85Å; C136-F138 HydrophobicContact CB-CE2 4.29Å; C136-F138 PolarHBondContact O-N 3.37Å; F138-G140 PolarHBondContact O-N 3.49Å; F138-V142 HydrophobicContact CD1-CB 4.14Å; F138-V142 HydrophobicContact CD1-CG1 4.3Å; F138-V142 HydrophobicContact CE1-CG1 4.22Å; F138-F143 HydrophobicContact CD1-CD2 4.03Å; F138-F143 AromaticContact CD1-CE2 3.55Å; F138-F143 HydrophobicContact CD1-CE2 3.55Å; F138-F143 HydrophobicContact CD1-CZ 4.03Å; F138-F143 HydrophobicContact CE1-CE2 4.04Å; F138-F143 HydrophobicContact CE1-CZ 4.07Å; F138-F143 HydrophobicContact CG-CE2 4.32Å; F138-P198 HydrophobicContact CB-CB 3.58Å; F138-P198 HydrophobicContact CB-CG 4.2Å; F138-P198 HydrophobicContact CD2-CB 3.62Å; F138-P198 HydrophobicContact CD2-CG 4Å; F138-P198 HydrophobicContact CG-CB 3.81Å; F138-L202 HydrophobicContact CZ-CD2 4.36Å | ||
| 139 | D | 38 | Very low | 49.9 | Very low | 110 Ų | 110 | 58.2 Ų | 58.2 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | trans | -53.2 | 133.7 | 152.6 | -88 | -30.6 | 0 | 0 | 0 | 105.9 | S137 Q141 V142 | S137-D139 PolarHBondContact O-N 3.44Å; D139-Q141 HydrophobicContact CB-CB 4.35Å; D139-Q141 CarbonylContact O-C 3.58Å; D139-Q141 PolarHBondContact O-N 3.22Å; D139-V142 PolarHBondContact O-N 3.41Å | ||
| 140 | G | 40 | Very low | 46.9 | Very low | 62 Ų | 62 | 63.1 Ų | 63.1 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -10.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F138 | F138-G140 PolarHBondContact O-N 3.49Š|
| 141 | Q | 39.1 | Very low | 44.3 | Very low | 128 Ų | 128 | 70.3 Ų | 70.3 | 60% | 0.598 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -30.7 | 167.8 | -68.4 | -172.3 | -15.8 | 0 | 0 | 114.3 | D139 F143 N144 D145 | D139-Q141 HydrophobicContact CB-CB 4.35Å; D139-Q141 CarbonylContact O-C 3.58Å; D139-Q141 PolarHBondContact O-N 3.22Å; Q141-F143 PolarHBondContact O-N 3.08Å; Q141-N144 CarbonylContact O-C 3.56Å; Q141-N144 WeakPolarHBondContact O-CA 3.44Å; Q141-N144 WeakPolarHBondContact O-CB 3.42Å; Q141-N144 PolarHBondContact O-N 3.19Å; Q141-D145 WeakPolarHBondContact O-CB 3.39Å; Q141-D145 PolarHBondContact O-N 3.44Å |
| 142 | V | 42.5 | Very low | 41.8 | Very low | 35 Ų | 35 | 75.3 Ų | 75.3 | 21% | 0.212 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.3 | -22.7 | -178.1 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | F138 D139 N144 D145 A146 | F138-V142 HydrophobicContact CD1-CB 4.14Å; F138-V142 HydrophobicContact CD1-CG1 4.3Å; F138-V142 HydrophobicContact CE1-CG1 4.22Å; D139-V142 PolarHBondContact O-N 3.41Å; V142-N144 PolarHBondContact O-N 3.17Å; V142-D145 PolarHBondContact O-N 2.73Å; V142-A146 WeakPolarHBondContact O-CB 3.04Å; V142-A146 PolarHBondContact O-N 3.39Å |
| 143 | F | 43 | Very low | 40.4 | Very low | 75 Ų | 75 | 77.8 Ų | 77.8 | 33% | 0.329 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -23.4 | 169 | -75.9 | -82.1 | 0 | 0 | 0 | 112.6 | F138 Q141 L202 E205 | F138-F143 HydrophobicContact CD1-CD2 4.03Å; F138-F143 AromaticContact CD1-CE2 3.55Å; F138-F143 HydrophobicContact CD1-CE2 3.55Å; F138-F143 HydrophobicContact CD1-CZ 4.03Å; F138-F143 HydrophobicContact CE1-CE2 4.04Å; F138-F143 HydrophobicContact CE1-CZ 4.07Å; F138-F143 HydrophobicContact CG-CE2 4.32Å; Q141-F143 PolarHBondContact O-N 3.08Å; F143-L202 HydrophobicContact CE1-CD1 3.81Å; F143-L202 HydrophobicContact CZ-CD1 4.28Å; F143-E205 VanDerWaalsContact CE1-OE2 3.23Å; F143-E205 WeakPolarHBondContact CE1-OE2 3.18Å |
| 144 | N | 38.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 81.7 Ų | 81.7 | 65% | 0.647 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -102 | -28.1 | 171.5 | -71.1 | -21.1 | 0 | 0 | 0 | 113.1 | Q141 V142 S147 | Q141-N144 CarbonylContact O-C 3.56Å; Q141-N144 WeakPolarHBondContact O-CA 3.44Å; Q141-N144 WeakPolarHBondContact O-CB 3.42Å; Q141-N144 PolarHBondContact O-N 3.19Å; V142-N144 PolarHBondContact O-N 3.17Å; N144-S147 WeakPolarHBondContact O-CB 3.48Å; N144-S147 PolarHBondContact O-N 3.12Å; N144-S147 PolarHBondContact O-OG 3.27Å |
| 145 | D | 32.9 | Very low | 39.2 | Very low | 48 Ų | 48 | 79.6 Ų | 79.6 | 26% | 0.257 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -98.1 | -0.5 | -174.2 | -79.9 | -30.9 | 0 | 0 | 0 | 114.3 | Q141 V142 S147 T148 T149 | Q141-D145 WeakPolarHBondContact O-CB 3.39Å; Q141-D145 PolarHBondContact O-N 3.44Å; V142-D145 PolarHBondContact O-N 2.73Å; D145-S147 PolarHBondContact O-N 3.28Å; D145-S147 VanDerWaalsContact O-N 3.08Å; D145-T148 CarbonylContact O-C 3.39Å; D145-T148 PolarHBondContact O-N 2.88Å; D145-T148 PolarHBondContact OD1-OG1 3.45Å; D145-T149 PolarHBondContact O-N 3.04Å |
| 146 | A | 35.5 | Very low | 39.5 | Very low | 30 Ų | 30 | 76.7 Ų | 76.7 | 25% | 0.248 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -9.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 112 | V142 T164 | V142-A146 WeakPolarHBondContact O-CB 3.04Å; V142-A146 PolarHBondContact O-N 3.39Å; A146-T164 HydrophobicContact CB-CG2 3.72Å |
| 147 | S | 33.2 | Very low | 39.5 | Very low | 63 Ų | 63 | 76.4 Ų | 76.4 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -23.8 | 166.7 | -33.5 | 0 | 0 | 0 | 0 | 113.8 | N144 D145 S153 | N144-S147 WeakPolarHBondContact O-CB 3.48Å; N144-S147 PolarHBondContact O-N 3.12Å; N144-S147 PolarHBondContact O-OG 3.27Å; D145-S147 PolarHBondContact O-N 3.28Å; D145-S147 VanDerWaalsContact O-N 3.08Å; S147-S153 PolarHBondContact O-OG 3.37Å |
| 148 | T | 27.5 | Very low | 40.5 | Very low | 82 Ų | 82 | 74.6 Ų | 74.6 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -157.9 | 54.2 | -157.5 | 33.3 | 0 | 0 | 0 | 0 | 113.8 | D145 | D145-T148 CarbonylContact O-C 3.39Å; D145-T148 PolarHBondContact O-N 2.88Å; D145-T148 PolarHBondContact OD1-OG1 3.45Å |
| 149 | T | 30.3 | Very low | 41.6 | Very low | 102 Ų | 102 | 77.6 Ų | 77.6 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -158.1 | 106.5 | 150.6 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | D145 | D145-T149 PolarHBondContact O-N 3.04Š|
| 150 | S | 31.1 | Very low | 43.8 | Very low | 105 Ų | 105 | 73.3 Ų | 73.3 | 73% | 0.734 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 31.7 | 91.7 | 154.7 | 56 | 0 | 0 | 0 | 0 | 116.2 | ||
| 151 | I | 38 | Very low | 46 | Very low | 150 Ų | 150 | 70.7 Ų | 70.7 | 77% | 0.769 | 42% | 0.417 | S | S | * | . | S | Bend | -152.6 | 108.8 | 74.2 | -77.3 | 150.7 | 0 | 0 | 0 | 107.6 | |||
| 152 | E | 35.6 | Very low | 48.2 | Very low | 128 Ų | 128 | 70.7 Ų | 70.7 | 60% | 0.598 | 42% | 0.415 | S | S | * | . | trans | 77.4 | 65.9 | 176.3 | -58.1 | 177.3 | 171.8 | 0 | 0 | 118.3 | R98 A154 V155 | R98-E152 IonicContact CZ-OE2 2.87Å; R98-E152 IonicContact NH1-OE2 3.02Å; R98-E152 PolarHBondContact NH1-OE2 3.17Å; R98-E152 IonicContact NH2-OE2 3.23Å; R98-E152 PolarHBondContact NH2-OE2 3.13Å; E152-A154 PolarHBondContact O-N 3.26Å; E152-V155 HydrophobicContact CB-CG2 4.03Å; E152-V155 WeakPolarHBondContact O-CG2 3.16Å | ||
| 153 | S | 40.3 | Very low | 50.3 | Low | 88 Ų | 88 | 71.4 Ų | 71.4 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 24.5 | 167.8 | -87 | 0 | 0 | 0 | 0 | 116.5 | S147 | S147-S153 PolarHBondContact O-OG 3.37Š|
| 154 | A | 41.2 | Very low | 52.2 | Low | 97 Ų | 97 | 69.6 Ų | 69.6 | 80% | 0.802 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 5.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | E152 L156 | E152-A154 PolarHBondContact O-N 3.26Å; A154-L156 PolarHBondContact O-N 2.64Å |
| 155 | V | 47.2 | Very low | 54.6 | Low | 28 Ų | 28 | 64.3 Ų | 64.3 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | trans | -94.4 | 102.8 | -157.5 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | R98 E152 | R98-V155 HydrophobicContact CG-CG1 3.72Å; E152-V155 HydrophobicContact CB-CG2 4.03Å; E152-V155 WeakPolarHBondContact O-CG2 3.16Å | ||
| 156 | L | 54.9 | Low | 57.4 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 65 | 152.8 | -78.5 | 91.1 | 0 | 0 | 0 | 118.2 | V102 L105 A154 N158 A449 E452 | V102-L156 HydrophobicContact CB-CD2 3.71Å; V102-L156 HydrophobicContact CG1-CD2 4.02Å; V102-L156 HydrophobicContact CG2-CD1 3.96Å; V102-L156 HydrophobicContact CG2-CD2 3.41Å; V102-L156 VanDerWaalsContact CG2-CD2 3.41Å; V102-L156 HydrophobicContact CG2-CG 4.26Å; L105-L156 HydrophobicContact CB-CD2 4.15Å; L105-L156 HydrophobicContact CD2-CB 3.7Å; L105-L156 HydrophobicContact CD2-CD2 3.7Å; L105-L156 HydrophobicContact CD2-CG 3.7Å; L105-L156 HydrophobicContact CG-CD2 4.44Å; A154-L156 PolarHBondContact O-N 2.64Å; L156-N158 PolarHBondContact O-N 3.11Å; L156-A449 HydrophobicContact CD2-CB 3.22Å; L156-A449 HydrophobicContact CG-CB 3.93Å; L156-E452 HydrophobicContact CD1-CB 4.45Å; L156-E452 WeakPolarHBondContact CD1-OE2 3.49Å |
| 157 | G | 50.9 | Low | 60.1 | Low | 10 Ų | 10 | 61.6 Ų | 61.6 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 6.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116 | V159 L160 T161 | G157-V159 PolarHBondContact O-N 3.36Å; G157-V159 VanDerWaalsContact O-N 3.11Å; G157-L160 PolarHBondContact O-N 2.87Å; G157-T161 PolarHBondContact O-N 3.2Å |
| 158 | N | 60.2 | Low | 63 | Low | 61 Ų | 61 | 58.6 Ų | 58.6 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -58.4 | -21.4 | 172.7 | -74.5 | 2.1 | 0 | 0 | 0 | 113.2 | L156 L160 | L156-N158 PolarHBondContact O-N 3.11Å; N158-L160 PolarHBondContact O-N 3.34Å |
| 159 | V | 74 | Confident | 66.2 | Low | 99 Ų | 99 | 54.8 Ų | 54.8 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -66 | -24.3 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | G157 | G157-V159 PolarHBondContact O-N 3.36Å; G157-V159 VanDerWaalsContact O-N 3.11Å |
| 160 | L | 83.8 | Confident | 69.3 | Low | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -104.4 | -3.7 | -175.1 | -61 | 175.7 | 0 | 0 | 0 | 113.3 | Y112 G157 N158 L286 R289 L442 L445 | Y112-L160 HydrophobicContact CD1-CB 3.88Å; Y112-L160 HydrophobicContact CD1-CD1 4.5Å; Y112-L160 HydrophobicContact CD2-CB 4.16Å; Y112-L160 HydrophobicContact CD2-CD1 3.5Å; Y112-L160 HydrophobicContact CD2-CG 4.47Å; Y112-L160 HydrophobicContact CE1-CB 3.7Å; Y112-L160 WeakPolarHBondContact CE1-O 3Å; Y112-L160 HydrophobicContact CE2-CB 3.96Å; Y112-L160 HydrophobicContact CE2-CD1 3.81Å; Y112-L160 HydrophobicContact CG-CB 4.12Å; Y112-L160 HydrophobicContact CG-CD1 3.88Å; G157-L160 PolarHBondContact O-N 2.87Å; N158-L160 PolarHBondContact O-N 3.34Å; L160-L286 HydrophobicContact CD2-CB 3.92Å; L160-L286 HydrophobicContact CD2-CD1 4.44Å; L160-R289 PolarHBondContact O-N 3.27Å; L160-L442 HydrophobicContact CD1-CD2 3.76Å; L160-L445 HydrophobicContact CD1-CD2 4.21Å |
| 161 | T | 86.2 | Confident | 72.3 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -140.4 | 127.2 | 176.5 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | Y112 G157 E163 R166 R289 A291 | Y112-T161 WeakPolarHBondContact CE1-OG1 3.4Å; Y112-T161 PolarHBondContact OH-OG1 3.12Å; G157-T161 PolarHBondContact O-N 3.2Å; T161-E163 VanDerWaalsContact C-N 3.35Å; T161-E163 PolarHBondContact O-N 3.44Å; T161-R166 VanDerWaalsContact CG2-NH1 3.25Å; T161-R289 CarbonylContact C-O 3.58Å; T161-R289 WeakPolarHBondContact CA-O 3.46Å; T161-A291 HydrophobicContact CG2-CB 4.37Å |
| 162 | K | 85.6 | Confident | 75.1 | Confident | 129 Ų | 129 | 38.1 Ų | 38.1 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -62.8 | -42.1 | -173 | -63.5 | 178.3 | -179.3 | 176.1 | 0 | 111.7 | P288 R289 | K162-P288 VanDerWaalsContact CE-O 3.28Å; K162-P288 WeakPolarHBondContact CE-O 3.39Å; K162-P288 HydrophobicContact CG-CB 3.76Å; K162-P288 HydrophobicContact CG-CG 3.9Å; K162-R289 PolarHBondContact N-O 2.63Å |
| 163 | E | 85 | Confident | 77.8 | Confident | 50 Ų | 50 | 32 Ų | 32 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -98.5 | 157.2 | -177.4 | -52.7 | 87.6 | 158.2 | 0 | 0 | 112.9 | T161 F165 R166 A291 | T161-E163 VanDerWaalsContact C-N 3.35Å; T161-E163 PolarHBondContact O-N 3.44Å; E163-F165 VanDerWaalsContact C-N 3.3Å; E163-F165 HydrophobicContact CB-CD1 3.97Å; E163-F165 HydrophobicContact CB-CE1 3.7Å; E163-F165 HydrophobicContact CB-CZ 4.01Å; E163-F165 HydrophobicContact CG-CE1 4.04Å; E163-F165 HydrophobicContact CG-CZ 4.05Å; E163-F165 PolarHBondContact O-N 3.21Å; E163-R166 PolarHBondContact O-NH1 3.32Å; E163-A291 HydrophobicContact CB-CB 3.93Å; E163-A291 HydrophobicContact CG-CB 4.26Å; E163-A291 WeakPolarHBondContact OE2-CB 3.45Å; E163-A291 PolarHBondContact OE2-N 3.04Å |
| 164 | T | 84 | Confident | 80.4 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 22% | 0.221 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -74 | -19.3 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | N101 A146 | N101-T164 PolarHBondContact ND2-O 3.11Å; A146-T164 HydrophobicContact CB-CG2 3.72Å |
| 165 | F | 89.9 | Confident | 82.8 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 4% | 0.044 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -101.2 | 178.3 | 178.9 | 62.5 | -92.3 | 0 | 0 | 0 | 111.4 | F97 E163 Y169 E205 T206 A291 H292 | F97-F165 HydrophobicContact CD1-CB 4.03Å; F97-F165 HydrophobicContact CE1-CB 3.64Å; F97-F165 HydrophobicContact CZ-CB 3.96Å; E163-F165 VanDerWaalsContact C-N 3.3Å; E163-F165 HydrophobicContact CB-CD1 3.97Å; E163-F165 HydrophobicContact CB-CE1 3.7Å; E163-F165 HydrophobicContact CB-CZ 4.01Å; E163-F165 HydrophobicContact CG-CE1 4.04Å; E163-F165 HydrophobicContact CG-CZ 4.05Å; E163-F165 PolarHBondContact O-N 3.21Å; F165-Y169 HydrophobicContact CB-CD2 4.03Å; F165-E205 HydrophobicContact CZ-CB 4.43Å; F165-T206 HydrophobicContact CB-CG2 4.27Å; F165-T206 HydrophobicContact CD1-CG2 3.98Å; F165-T206 HydrophobicContact CD2-CG2 4.08Å; F165-T206 HydrophobicContact CE1-CG2 4.32Å; F165-T206 HydrophobicContact CE2-CG2 4.43Å; F165-T206 HydrophobicContact CG-CG2 3.85Å; F165-A291 HydrophobicContact CD2-CB 3.94Å; F165-A291 HydrophobicContact CE2-CB 3.73Å; F165-A291 HydrophobicContact CZ-CB 4.38Å; F165-A291 WeakPolarHBondContact O-CB 3.26Å; F165-H292 AromaticContact CE2-CE1 3.8Å; F165-H292 AromaticContact CE2-NE2 3.49Å; F165-H292 WeakPolarHBondContact CE2-NE2 3.39Å |
| 166 | R | 91.8 | Very high | 85 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | trans | -127.3 | 160.2 | 178.6 | -60.6 | -64.3 | -179.2 | -99.5 | 2.9 | 109.8 | E110 T161 E163 D168 Y169 | E110-R166 WeakPolarHBondContact OE1-CD 3.4Å; E110-R166 IonicContact OE1-NE 2.96Å; E110-R166 PolarHBondContact OE1-NE 2.96Å; T161-R166 VanDerWaalsContact CG2-NH1 3.25Å; E163-R166 PolarHBondContact O-NH1 3.32Å; R166-D168 PolarHBondContact O-N 2.87Å; R166-Y169 HydrophobicContact CB-CD1 4.27Å; R166-Y169 HydrophobicContact CB-CD2 4.13Å; R166-Y169 HydrophobicContact CB-CE1 4.23Å; R166-Y169 HydrophobicContact CB-CE2 4.08Å; R166-Y169 HydrophobicContact CB-CG 4.21Å; R166-Y169 HydrophobicContact CG-CD2 4.43Å; R166-Y169 HydrophobicContact CG-CE2 3.96Å; R166-Y169 WeakPolarHBondContact O-CB 3.27Å; R166-Y169 PolarHBondContact O-N 3.34Å | ||
| 167 | W | 92 | Very high | 86.6 | Confident | 13 Ų | 13 | 24.4 Ų | 24.4 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -22.5 | -179.4 | 60.8 | -26 | 0 | 0 | 0 | 117.5 | R104 I116 P118 I121 V234 V235 I271 A291 P293 | R104-W167 VanDerWaalsContact NH2-NE1 3.14Å; I116-W167 HydrophobicContact CG2-CE3 4.42Å; I116-W167 HydrophobicContact CG2-CH2 3.43Å; I116-W167 VanDerWaalsContact CG2-CH2 3.43Å; I116-W167 HydrophobicContact CG2-CZ2 3.71Å; I116-W167 HydrophobicContact CG2-CZ3 3.88Å; P118-W167 VanDerWaalsContact CA-CH2 3.42Å; P118-W167 HydrophobicContact CB-CH2 4.13Å; P118-W167 HydrophobicContact CG-CH2 4.29Å; I121-W167 HydrophobicContact CG2-CZ2 3.91Å; W167-V234 HydrophobicContact CD2-CB 3.79Å; W167-V234 HydrophobicContact CD2-CG1 3.69Å; W167-V234 HydrophobicContact CE3-CB 3.41Å; W167-V234 VanDerWaalsContact CE3-CB 3.41Å; W167-V234 HydrophobicContact CE3-CG1 3.68Å; W167-V234 HydrophobicContact CE3-CG2 3.74Å; W167-V234 HydrophobicContact CG-CB 4.34Å; W167-V234 HydrophobicContact CG-CG1 4.32Å; W167-V234 HydrophobicContact CH2-CG1 4.14Å; W167-V234 HydrophobicContact CZ2-CG1 4.09Å; W167-V234 HydrophobicContact CZ3-CB 3.84Å; W167-V234 HydrophobicContact CZ3-CG1 3.9Å; W167-V234 HydrophobicContact CZ3-CG2 3.7Å; W167-V234 CarbonylContact O-C 3.54Å; W167-V234 WeakPolarHBondContact O-CA 3.13Å; W167-V235 PolarHBondContact O-N 2.8Å; W167-I271 HydrophobicContact CZ3-CD1 4.43Å; W167-A291 WeakPolarHBondContact CA-O 3.46Å; W167-A291 WeakPolarHBondContact CB-O 3.34Å; W167-A291 PolarHBondContact N-O 2.63Å; W167-P293 HydrophobicContact CE3-CG 4.2Å; W167-P293 HydrophobicContact CZ3-CG 4.5Å |
| 168 | D | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7.7 | 178.2 | 53.3 | -13.2 | 0 | 0 | 0 | 112.9 | R104 I121 E122 S124 R166 V234 | R104-D168 IonicContact CZ-OD1 2.73Å; R104-D168 IonicContact CZ-OD2 4Å; R104-D168 VanDerWaalsContact NH1-CG 3.32Å; R104-D168 IonicContact NH1-OD1 2.6Å; R104-D168 PolarHBondContact NH1-OD1 2.9Å; R104-D168 IonicContact NH1-OD2 3.04Å; R104-D168 PolarHBondContact NH1-OD2 2.99Å; I121-D168 WeakPolarHBondContact CA-OD2 3.34Å; I121-D168 HydrophobicContact CB-CB 4.44Å; I121-D168 HydrophobicContact CG2-CB 4.5Å; E122-D168 PolarHBondContact N-OD2 3.32Å; S124-D168 PolarHBondContact N-O 3.08Å; R166-D168 PolarHBondContact O-N 2.87Å; D168-V234 HydrophobicContact CB-CG1 4.17Å |
| 169 | Y | 94.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129 | 173.7 | -63.2 | -1.6 | 0 | 0 | 0 | 109.5 | F97 L100 N101 S124 F165 R166 T206 | F97-Y169 AromaticContact CD1-CD2 3.92Å; F97-Y169 HydrophobicContact CD1-CD2 3.92Å; F97-Y169 HydrophobicContact CD1-CE2 4.42Å; F97-Y169 HydrophobicContact CE1-CD2 4.17Å; L100-Y169 HydrophobicContact CB-CE1 4.34Å; L100-Y169 HydrophobicContact CB-CE2 3.79Å; L100-Y169 WeakPolarHBondContact CB-OH 3.26Å; L100-Y169 HydrophobicContact CD1-CD2 4.43Å; L100-Y169 HydrophobicContact CD1-CE2 4.27Å; L100-Y169 PolarHBondContact O-OH 3Å; N101-Y169 PolarHBondContact N-OH 2.88Å; N101-Y169 VanDerWaalsContact OD1-CE2 3.29Å; N101-Y169 WeakPolarHBondContact OD1-CE2 3.27Å; N101-Y169 PolarHBondContact OD1-OH 3.33Å; S124-Y169 WeakPolarHBondContact O-CA 3.48Å; F165-Y169 HydrophobicContact CB-CD2 4.03Å; R166-Y169 HydrophobicContact CB-CD1 4.27Å; R166-Y169 HydrophobicContact CB-CD2 4.13Å; R166-Y169 HydrophobicContact CB-CE1 4.23Å; R166-Y169 HydrophobicContact CB-CE2 4.08Å; R166-Y169 HydrophobicContact CB-CG 4.21Å; R166-Y169 HydrophobicContact CG-CD2 4.43Å; R166-Y169 HydrophobicContact CG-CE2 3.96Å; R166-Y169 WeakPolarHBondContact O-CB 3.27Å; R166-Y169 PolarHBondContact O-N 3.34Å; Y169-T206 VanDerWaalsContact O-O 3.04Å |
| 170 | R | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.8 | 174 | -70.6 | 171.9 | -63.6 | 160 | 10.1 | 109.8 | S124 V125 I126 Y172 T206 K229 Q231 V235 | S124-R170 PolarHBondContact O-N 3.34Å; V125-R170 CarbonylContact C-O 3.51Å; V125-R170 WeakPolarHBondContact CA-O 3.47Å; I126-R170 PolarHBondContact N-O 3.24Å; R170-Y172 HydrophobicContact CB-CE2 4.28Å; R170-T206 WeakPolarHBondContact CG-O 3.49Å; R170-K229 PolarHBondContact NH1-O 3.42Å; R170-Q231 PolarHBondContact NH2-O 3.25Å; R170-V235 HydrophobicContact CG-CG2 4.23Å |
| 171 | M | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.6 | -179.1 | -179.2 | 173.4 | 160.6 | 0 | 0 | 110.4 | I93 I126 C128 L199 L202 A203 T206 G208 E209 | I93-M171 HydrophobicContact CD1-CE 3.89Å; I93-M171 HydrophobicContact CG1-CE 4.36Å; I126-M171 HydrophobicContact CB-CB 4.38Å; I126-M171 HydrophobicContact CB-CG 4.33Å; I126-M171 HydrophobicContact CG2-CG 4.3Å; I126-M171 CarbonylContact O-C 3.42Å; I126-M171 WeakPolarHBondContact O-CA 3.46Å; C128-M171 HydrophobicContact CB-CE 3.86Å; M171-L199 HydrophobicContact CE-CD1 3.27Å; M171-L199 HydrophobicContact CE-CG 4.26Å; M171-L202 HydrophobicContact CE-CD2 4.11Å; M171-L202 HydrophobicContact SD-CD2 3.73Å; M171-L202 HydrophobicContact SD-CG 4.07Å; M171-A203 WeakPolarHBondContact O-CB 3.35Å; M171-T206 HydrophobicContact CB-CG2 4.2Å; M171-T206 WeakPolarHBondContact CB-OG1 3.47Å; M171-T206 PolarHBondContact N-OG1 3.31Å; M171-G208 WeakPolarHBondContact O-CA 3.49Å; M171-E209 PolarHBondContact O-N 3.43Å |
| 172 | Y | 95.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.2 | 169.8 | -60.8 | -82.6 | 0 | 0 | 0 | 109.5 | V125 I126 I127 C128 R170 E209 F211 L226 K229 | V125-Y172 HydrophobicContact CG1-CD2 3.59Å; V125-Y172 HydrophobicContact CG1-CE2 3.68Å; I126-Y172 PolarHBondContact O-N 3.3Å; I127-Y172 WeakPolarHBondContact CA-O 3.4Å; C128-Y172 PolarHBondContact N-O 2.96Å; R170-Y172 HydrophobicContact CB-CE2 4.28Å; Y172-E209 WeakPolarHBondContact CA-O 3.46Å; Y172-E209 HydrophobicContact CD1-CB 4.16Å; Y172-E209 HydrophobicContact CE1-CB 4.32Å; Y172-F211 AromaticContact CD1-CE2 3.88Å; Y172-F211 HydrophobicContact CD1-CE2 3.88Å; Y172-L226 HydrophobicContact CD1-CD1 4.5Å; Y172-L226 HydrophobicContact CD1-CG 4.44Å; Y172-L226 HydrophobicContact CD2-CD1 4.49Å; Y172-L226 HydrophobicContact CD2-CD2 4.26Å; Y172-L226 HydrophobicContact CD2-CG 4.26Å; Y172-L226 HydrophobicContact CG-CD1 3.98Å; Y172-L226 HydrophobicContact CG-CG 4.08Å; Y172-K229 HydrophobicContact CE1-CB 4.39Å; Y172-K229 HydrophobicContact CE1-CD 4.04Å; Y172-K229 VanDerWaalsContact OH-CB 3.3Å; Y172-K229 WeakPolarHBondContact OH-CB 3.32Å |
| 173 | S | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.4 | 177 | 154.1 | 0 | 0 | 0 | 0 | 109.2 | C128 L199 E209 S210 F211 | C128-S173 CarbonylContact O-C 3.51Å; C128-S173 WeakPolarHBondContact O-CA 3.36Å; S173-L199 WeakPolarHBondContact OG-CD2 3.16Å; S173-E209 PolarHBondContact N-O 3.27Å; S173-S210 WeakPolarHBondContact CB-OG 3.49Å; S173-S210 CarbonylContact O-C 3.1Å; S173-S210 WeakPolarHBondContact O-CA 3.38Å; S173-S210 PolarHBondContact OG-OG 3.05Å; S173-F211 PolarHBondContact O-N 3.32Å |
| 174 | L | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 103 | 171.6 | -64.8 | -178.8 | 0 | 0 | 0 | 107.7 | I127 C128 I129 T130 F211 V213 C222 L223 L226 | I127-L174 HydrophobicContact CG2-CD1 3.9Å; I127-L174 HydrophobicContact CG2-CG 4.27Å; C128-L174 PolarHBondContact O-N 2.83Å; I129-L174 WeakPolarHBondContact CA-O 3.44Å; I129-L174 HydrophobicContact CD1-CD1 4.14Å; I129-L174 HydrophobicContact CG1-CB 4.26Å; I129-L174 HydrophobicContact CG1-CD1 4.12Å; I129-L174 HydrophobicContact CG2-CB 4.36Å; T130-L174 PolarHBondContact N-O 3.45Å; L174-F211 HydrophobicContact CD2-CB 3.86Å; L174-F211 HydrophobicContact CD2-CD2 3.86Å; L174-F211 HydrophobicContact CD2-CG 4.2Å; L174-V213 HydrophobicContact CD2-CG2 4.49Å; L174-C222 WeakPolarHBondContact CD2-SG 3.48Å; L174-L223 HydrophobicContact CD1-CD2 3.94Å; L174-L226 HydrophobicContact CD2-CD1 4.37Å |
| 175 | V | 92.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 110.9 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | T130 I133 R177 L199 F211 V213 | T130-V175 HydrophobicContact CG2-CG2 4.47Å; T130-V175 CarbonylContact O-C 3.59Å; T130-V175 WeakPolarHBondContact O-CA 3.34Å; I133-V175 HydrophobicContact CD1-CG1 4.03Å; I133-V175 HydrophobicContact CD1-CG2 4.27Å; I133-V175 HydrophobicContact CG1-CG1 4.18Å; I133-V175 HydrophobicContact CG1-CG2 4.13Å; V175-R177 HydrophobicContact CG1-CG 4.03Å; V175-R177 PolarHBondContact O-N 3.23Å; V175-L199 HydrophobicContact CG2-CD2 4.49Å; V175-F211 PolarHBondContact N-O 2.79Å; V175-V213 PolarHBondContact O-N 3.43Å |
| 176 | L | 92.7 | Very high | 85.4 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 99.4 | -178.1 | -56.5 | -178.3 | 0 | 0 | 0 | 110.3 | M14 L24 V27 A28 I129 T130 F178 V213 L219 | M14-L176 HydrophobicContact CE-CD1 4.18Å; L24-L176 HydrophobicContact CD2-CB 4.13Å; V27-L176 HydrophobicContact CB-CD1 4.44Å; V27-L176 HydrophobicContact CG1-CD1 4.25Å; V27-L176 HydrophobicContact CG1-CD2 4.41Å; A28-L176 HydrophobicContact CB-CD1 4.06Å; I129-L176 HydrophobicContact CG2-CD1 3.72Å; I129-L176 HydrophobicContact CG2-CD2 4.26Å; I129-L176 HydrophobicContact CG2-CG 3.89Å; T130-L176 PolarHBondContact O-N 2.93Å; L176-F178 HydrophobicContact CB-CD2 4.21Å; L176-F178 HydrophobicContact CD2-CE2 4.09Å; L176-V213 HydrophobicContact CD2-CB 4.47Å; L176-L219 HydrophobicContact CD2-CD1 4.48Å |
| 177 | R | 89 | Confident | 83.5 | Confident | 55 Ų | 55 | 37.3 Ų | 37.3 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | trans | -103.1 | 44 | 177.2 | -60.8 | -155.1 | -170.7 | 116.1 | 9.4 | 112.4 | V175 D212 V213 Y214 | V175-R177 HydrophobicContact CG1-CG 4.03Å; V175-R177 PolarHBondContact O-N 3.23Å; R177-D212 IonicContact CZ-OD1 3.15Å; R177-D212 VanDerWaalsContact CZ-OD1 3.23Å; R177-D212 IonicContact CZ-OD2 3.18Å; R177-D212 VanDerWaalsContact CZ-OD2 3.26Å; R177-D212 IonicContact NE-OD1 3.35Å; R177-D212 IonicContact NH1-OD1 3.2Å; R177-D212 PolarHBondContact NH1-OD1 3.25Å; R177-D212 IonicContact NH1-OD2 3.56Å; R177-D212 PolarHBondContact NH1-OD2 3.16Å; R177-D212 IonicContact NH2-OD1 2.73Å; R177-D212 PolarHBondContact NH2-OD1 3.2Å; R177-D212 IonicContact NH2-OD2 3.84Å; R177-D212 PolarHBondContact NH2-OD2 3.1Å; R177-V213 PolarHBondContact N-O 3.4Å; R177-Y214 HydrophobicContact CB-CD1 3.68Å; R177-Y214 HydrophobicContact CB-CE1 3.61Å; R177-Y214 HydrophobicContact CB-CG 4.37Å; R177-Y214 HydrophobicContact CG-CE1 4.33Å; R177-Y214 PolarHBondContact NH1-OH 2.96Å; R177-Y214 WeakPolarHBondContact O-CD1 2.89Å | ||
| 178 | F | 89.8 | Confident | 81.6 | Confident | 20 Ų | 20 | 38 Ų | 38 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | trans | -68 | 125.3 | -179.9 | -79.1 | -117.9 | 0 | 0 | 0 | 110.2 | T18 F19 L24 V27 L176 V213 D215 | T18-F178 HydrophobicContact CG2-CB 3.55Å; T18-F178 HydrophobicContact CG2-CD1 3.98Å; T18-F178 HydrophobicContact CG2-CG 3.97Å; F19-F178 HydrophobicContact CE1-CD1 4.37Å; L24-F178 HydrophobicContact CD2-CB 3.91Å; L24-F178 HydrophobicContact CD2-CD2 4.49Å; L24-F178 HydrophobicContact CD2-CG 4.41Å; V27-F178 HydrophobicContact CG1-CE1 4.21Å; V27-F178 HydrophobicContact CG1-CE2 3.9Å; V27-F178 HydrophobicContact CG1-CZ 3.7Å; V27-F178 HydrophobicContact CG2-CE1 4.5Å; L176-F178 HydrophobicContact CB-CD2 4.21Å; L176-F178 HydrophobicContact CD2-CE2 4.09Å; F178-V213 HydrophobicContact CE2-CG1 3.87Å; F178-V213 HydrophobicContact CZ-CG1 4.34Å; F178-D215 VanDerWaalsContact CZ-C 3.46Å | ||
| 179 | P | 85.7 | Confident | 79.4 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | trans | -70.4 | 150.3 | 178.7 | 27.8 | -32.5 | 0 | 0 | 0 | 111.5 | F19 N184 I185 Y214 | F19-P179 HydrophobicContact CD1-CG 4.13Å; F19-P179 WeakPolarHBondContact CD1-O 3.34Å; F19-P179 PolarHBondContact N-O 2.84Å; P179-N184 HydrophobicContact CB-CB 3.88Å; P179-I185 HydrophobicContact CG-CG1 3.72Å; P179-Y214 VanDerWaalsContact CD-O 3.3Å; P179-Y214 WeakPolarHBondContact CD-O 3.35Å | ||
| 180 | A | 83.1 | Confident | 77.2 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 49% | 0.488 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72.3 | -32.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | F19 | F19-A180 WeakPolarHBondContact CA-O 3.32Š|
| 181 | F | 79.4 | Confident | 75.1 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 55% | 0.548 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -119.3 | 139.8 | -177.1 | -58.5 | -77.7 | 0 | 0 | 0 | 111.4 | S183 N184 | F181-S183 PolarHBondContact O-N 2.67Å; F181-N184 PolarHBondContact O-N 3.12Å; F181-N184 VanDerWaalsContact O-N 3.12Å |
| 182 | V | 76.9 | Confident | 73.2 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 24% | 0.242 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -59.5 | -30.6 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | F19 N184 I185 L763 | F19-V182 HydrophobicContact CB-CG2 3.98Å; F19-V182 HydrophobicContact CD2-CG2 3.81Å; F19-V182 HydrophobicContact CG-CG2 4.19Å; V182-N184 PolarHBondContact O-N 3.08Å; V182-N184 VanDerWaalsContact O-N 3.14Å; V182-I185 HydrophobicContact CB-CD1 4.29Å; V182-I185 HydrophobicContact CG1-CD1 3.92Å; V182-I185 WeakPolarHBondContact O-CB 3.45Å; V182-I185 WeakPolarHBondContact O-CG1 3.37Å; V182-I185 PolarHBondContact O-N 3.23Å; V182-L763 HydrophobicContact CB-CD1 4.47Å; V182-L763 HydrophobicContact CG2-CD1 3.64Å |
| 183 | S | 66.6 | Low | 71.1 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -56.3 | -29.6 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | F181 I185 | F181-S183 PolarHBondContact O-N 2.67Å; S183-I185 VanDerWaalsContact C-N 3.33Å; S183-I185 PolarHBondContact O-N 3.36Å |
| 184 | N | 68.4 | Low | 69.3 | Low | 98 Ų | 98 | 72.6 Ų | 72.6 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -86.5 | -6.6 | -173.7 | -62.9 | 7.4 | 0 | 0 | 0 | 112.9 | P179 F181 V182 H186 G187 | P179-N184 HydrophobicContact CB-CB 3.88Å; F181-N184 PolarHBondContact O-N 3.12Å; F181-N184 VanDerWaalsContact O-N 3.12Å; V182-N184 PolarHBondContact O-N 3.08Å; V182-N184 VanDerWaalsContact O-N 3.14Å; N184-H186 VanDerWaalsContact C-N 3.26Å; N184-H186 PolarHBondContact O-N 3.17Å; N184-G187 PolarHBondContact O-N 3.13Å |
| 185 | I | 65.2 | Low | 67.5 | Low | 49 Ų | 49 | 76.7 Ų | 76.7 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -64.7 | -33.9 | -179.8 | -61.6 | 173.8 | 0 | 0 | 0 | 111 | F19 P179 V182 S183 | F19-I185 HydrophobicContact CD1-CD1 4.23Å; F19-I185 HydrophobicContact CD2-CD1 4.27Å; F19-I185 HydrophobicContact CE1-CD1 3.99Å; F19-I185 HydrophobicContact CE2-CD1 4.02Å; F19-I185 HydrophobicContact CG-CD1 4.37Å; F19-I185 HydrophobicContact CZ-CD1 3.87Å; P179-I185 HydrophobicContact CG-CG1 3.72Å; V182-I185 HydrophobicContact CB-CD1 4.29Å; V182-I185 HydrophobicContact CG1-CD1 3.92Å; V182-I185 WeakPolarHBondContact O-CB 3.45Å; V182-I185 WeakPolarHBondContact O-CG1 3.37Å; V182-I185 PolarHBondContact O-N 3.23Å; S183-I185 VanDerWaalsContact C-N 3.33Å; S183-I185 PolarHBondContact O-N 3.36Å |
| 186 | H | 58.7 | Low | 66.2 | Low | 169 Ų | 169 | 82.9 Ų | 82.9 | 78% | 0.782 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -91 | -9 | -174.8 | -61.4 | 80.7 | 0 | 0 | 0 | 113.6 | N184 G188 | N184-H186 VanDerWaalsContact C-N 3.26Å; N184-H186 PolarHBondContact O-N 3.17Å; H186-G188 PolarHBondContact O-N 3.26Å |
| 187 | G | 53.3 | Low | 65.3 | Low | 52 Ų | 52 | 82.9 Ų | 82.9 | 54% | 0.536 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -78.3 | 6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N184 N189 | N184-G187 PolarHBondContact O-N 3.13Å; G187-N189 VanDerWaalsContact C-N 3.28Å; G187-N189 PolarHBondContact O-N 3.41Å |
| 188 | G | 50.9 | Low | 64.9 | Low | 26 Ų | 26 | 81.4 Ų | 81.4 | 27% | 0.268 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 8.4 | -158.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | H186 R192 | H186-G188 PolarHBondContact O-N 3.26Å; G188-R192 WeakPolarHBondContact O-CD 3.5Å; G188-R192 WeakPolarHBondContact O-CG 3.34Å; G188-R192 PolarHBondContact O-NE 2.93Å |
| 189 | N | 48.5 | Very low | 64.7 | Low | 133 Ų | 133 | 80.6 Ų | 80.6 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -20 | 176.3 | -83.5 | -4.7 | 0 | 0 | 0 | 114.4 | G187 | G187-N189 VanDerWaalsContact C-N 3.28Å; G187-N189 PolarHBondContact O-N 3.41Å |
| 190 | S | 47.3 | Very low | 64.7 | Low | 115 Ų | 115 | 83 Ų | 83 | 80% | 0.804 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -95 | -8.9 | -170.5 | -162.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 191 | I | 51.8 | Low | 64.8 | Low | 142 Ų | 142 | 83.5 Ų | 83.5 | 73% | 0.728 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -115.3 | 18 | -177.7 | -47.5 | 172.9 | 0 | 0 | 0 | 110.9 | S193 | I191-S193 PolarHBondContact O-N 3.17Š|
| 192 | R | 54.6 | Low | 65.2 | Low | 136 Ų | 136 | 77.8 Ų | 77.8 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | trans | -83.1 | 52.8 | 179.7 | -66 | -176.6 | 172.9 | -164 | -9.1 | 112 | G188 | G188-R192 WeakPolarHBondContact O-CD 3.5Å; G188-R192 WeakPolarHBondContact O-CG 3.34Å; G188-R192 PolarHBondContact O-NE 2.93Å | ||
| 193 | S | 51.8 | Low | 65.9 | Low | 87 Ų | 87 | 75.9 Ų | 75.9 | 61% | 0.608 | 42% | 0.424 | S | S | * | . | trans | -173.3 | 89 | 168.7 | -132.3 | 0 | 0 | 0 | 0 | 113.4 | I191 T195 | I191-S193 PolarHBondContact O-N 3.17Å; S193-T195 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 194 | E | 54.3 | Low | 66.9 | Low | 123 Ų | 123 | 77 Ų | 77 | 58% | 0.575 | 42% | 0.422 | S | S | * | . | trans | -92.7 | 93.3 | 141.5 | -76.5 | -175.9 | 174.8 | 0 | 0 | 105.3 | I133 N196 | I133-E194 VanDerWaalsContact CG2-OE2 3.27Å; I133-E194 WeakPolarHBondContact CG2-OE2 3.47Å; E194-N196 PolarHBondContact O-N 2.73Å; E194-N196 VanDerWaalsContact O-N 3.12Å | ||
| 195 | T | 56.4 | Low | 67.9 | Low | 86 Ų | 86 | 75.2 Ų | 75.2 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.5 | -168.2 | 40 | 0 | 0 | 0 | 0 | 114 | S193 | S193-T195 WeakPolarHBondContact OG-CG2 3.39Š|
| 196 | N | 65.3 | Low | 69.1 | Low | 130 Ų | 130 | 72.9 Ų | 72.9 | 70% | 0.695 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | 59.9 | -170.4 | -66.8 | -22.4 | 0 | 0 | 0 | 112.6 | E194 | E194-N196 PolarHBondContact O-N 2.73Å; E194-N196 VanDerWaalsContact O-N 3.12Å |
| 197 | S | 74.6 | Confident | 70.6 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.028 | 38% | 0.375 | C | S | . | . | trans | -74.2 | 134.8 | 166.6 | 70.8 | 0 | 0 | 0 | 0 | 110.3 | L199 K200 I201 | S197-L199 PolarHBondContact O-N 3.15Å; S197-K200 PolarHBondContact O-N 3.31Å; S197-K200 WeakPolarHBondContact OG-CB 3.37Å; S197-K200 PolarHBondContact OG-N 3.17Å; S197-K200 VanDerWaalsContact OG-N 3.16Å; S197-I201 PolarHBondContact O-N 3.07Å; S197-I201 VanDerWaalsContact O-N 3.1Å | ||
| 198 | P | 81.3 | Confident | 72.4 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -30.1 | 178.5 | 25.1 | -34 | 0 | 0 | 0 | 111.9 | C136 F138 I201 L202 | C136-P198 HydrophobicContact CB-CG 3.99Å; F138-P198 HydrophobicContact CB-CB 3.58Å; F138-P198 HydrophobicContact CB-CG 4.2Å; F138-P198 HydrophobicContact CD2-CB 3.62Å; F138-P198 HydrophobicContact CD2-CG 4Å; F138-P198 HydrophobicContact CG-CB 3.81Å; P198-I201 PolarHBondContact O-N 3.48Å; P198-L202 WeakPolarHBondContact O-CB 3.47Å; P198-L202 PolarHBondContact O-N 2.8Å |
| 199 | L | 84 | Confident | 74.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 174.7 | -168.7 | 66.9 | 0 | 0 | 0 | 112.4 | L89 I93 T130 M171 S173 V175 S197 A203 | L89-L199 HydrophobicContact CD2-CD1 4.31Å; L89-L199 HydrophobicContact CD2-CD2 4.34Å; I93-L199 HydrophobicContact CD1-CD1 3.85Å; T130-L199 HydrophobicContact CG2-CD2 3.71Å; M171-L199 HydrophobicContact CE-CD1 3.27Å; M171-L199 HydrophobicContact CE-CG 4.26Å; S173-L199 WeakPolarHBondContact OG-CD2 3.16Å; V175-L199 HydrophobicContact CG2-CD2 4.49Å; S197-L199 PolarHBondContact O-N 3.15Å; L199-A203 WeakPolarHBondContact O-CB 3.3Å; L199-A203 PolarHBondContact O-N 2.96Å |
| 200 | K | 86.2 | Confident | 76.4 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 175.5 | 178.1 | 178.6 | 176.8 | -171.7 | 0 | 111.3 | S197 L202 A203 E204 | S197-K200 PolarHBondContact O-N 3.31Å; S197-K200 WeakPolarHBondContact OG-CB 3.37Å; S197-K200 PolarHBondContact OG-N 3.17Å; S197-K200 VanDerWaalsContact OG-N 3.16Å; K200-L202 VanDerWaalsContact C-N 3.33Å; K200-L202 PolarHBondContact O-N 3.17Å; K200-A203 PolarHBondContact O-N 3.26Å; K200-E204 WeakPolarHBondContact CE-OE1 3.48Å; K200-E204 WeakPolarHBondContact CG-OE1 3.34Å; K200-E204 WeakPolarHBondContact O-CB 3.43Å; K200-E204 WeakPolarHBondContact O-CG 3.46Å; K200-E204 PolarHBondContact O-N 3.14Å |
| 201 | I | 86.3 | Confident | 78.5 | Confident | 69 Ų | 69 | 58 Ų | 58 | 35% | 0.354 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 175.4 | -63.3 | 170.9 | 0 | 0 | 0 | 109.9 | S197 P198 A203 E204 E205 | S197-I201 PolarHBondContact O-N 3.07Å; S197-I201 VanDerWaalsContact O-N 3.1Å; P198-I201 PolarHBondContact O-N 3.48Å; I201-A203 PolarHBondContact O-N 3.38Å; I201-E204 PolarHBondContact O-N 3.41Å; I201-E205 HydrophobicContact CG2-CG 4.4Å; I201-E205 WeakPolarHBondContact O-CB 3.34Å; I201-E205 WeakPolarHBondContact O-CG 3.3Å; I201-E205 PolarHBondContact O-N 2.92Å |
| 202 | L | 87.1 | Confident | 80.3 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 178.1 | -175.9 | 68.8 | 0 | 0 | 0 | 112.6 | I93 F138 F143 M171 P198 K200 E204 E205 T206 | I93-L202 HydrophobicContact CD1-CD2 4.12Å; I93-L202 HydrophobicContact CG2-CD2 3.88Å; F138-L202 HydrophobicContact CZ-CD2 4.36Å; F143-L202 HydrophobicContact CE1-CD1 3.81Å; F143-L202 HydrophobicContact CZ-CD1 4.28Å; M171-L202 HydrophobicContact CE-CD2 4.11Å; M171-L202 HydrophobicContact SD-CD2 3.73Å; M171-L202 HydrophobicContact SD-CG 4.07Å; P198-L202 WeakPolarHBondContact O-CB 3.47Å; P198-L202 PolarHBondContact O-N 2.8Å; K200-L202 VanDerWaalsContact C-N 3.33Å; K200-L202 PolarHBondContact O-N 3.17Å; L202-E204 PolarHBondContact O-N 3.15Å; L202-E205 WeakPolarHBondContact O-CB 3.17Å; L202-E205 PolarHBondContact O-N 2.67Å; L202-T206 PolarHBondContact O-N 3.2Å; L202-T206 VanDerWaalsContact O-N 3.14Å |
| 203 | A | 90.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | M171 L199 K200 I201 E205 T206 G207 G208 | M171-A203 WeakPolarHBondContact O-CB 3.35Å; L199-A203 WeakPolarHBondContact O-CB 3.3Å; L199-A203 PolarHBondContact O-N 2.96Å; K200-A203 PolarHBondContact O-N 3.26Å; I201-A203 PolarHBondContact O-N 3.38Å; A203-E205 VanDerWaalsContact C-N 3.34Å; A203-E205 PolarHBondContact O-N 3.02Å; A203-T206 PolarHBondContact O-N 2.96Å; A203-T206 PolarHBondContact O-OG1 2.86Å; A203-G207 PolarHBondContact O-N 3.15Å; A203-G208 CarbonylContact O-C 3.55Å; A203-G208 WeakPolarHBondContact O-CA 3.39Å; A203-G208 PolarHBondContact O-N 2.92Å |
| 204 | E | 89.5 | Confident | 83.8 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 176.2 | -71.5 | 176 | -169.5 | 0 | 0 | 112.1 | K200 I201 L202 G207 K255 | K200-E204 WeakPolarHBondContact CE-OE1 3.48Å; K200-E204 WeakPolarHBondContact CG-OE1 3.34Å; K200-E204 WeakPolarHBondContact O-CB 3.43Å; K200-E204 WeakPolarHBondContact O-CG 3.46Å; K200-E204 PolarHBondContact O-N 3.14Å; I201-E204 PolarHBondContact O-N 3.41Å; L202-E204 PolarHBondContact O-N 3.15Å; E204-G207 PolarHBondContact O-N 2.87Å; E204-G207 VanDerWaalsContact O-N 3.08Å; E204-K255 VanDerWaalsContact C-NZ 3.31Å; E204-K255 WeakPolarHBondContact O-CD 3.41Å; E204-K255 WeakPolarHBondContact O-CE 3.3Å; E204-K255 PolarHBondContact O-NZ 3.37Å |
| 205 | E | 88 | Confident | 85.4 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 29% | 0.29 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58 | -45.5 | 176 | -83.2 | -175.2 | -178.7 | 0 | 0 | 113.4 | F143 F165 I201 L202 A203 G207 K255 H292 | F143-E205 VanDerWaalsContact CE1-OE2 3.23Å; F143-E205 WeakPolarHBondContact CE1-OE2 3.18Å; F165-E205 HydrophobicContact CZ-CB 4.43Å; I201-E205 HydrophobicContact CG2-CG 4.4Å; I201-E205 WeakPolarHBondContact O-CB 3.34Å; I201-E205 WeakPolarHBondContact O-CG 3.3Å; I201-E205 PolarHBondContact O-N 2.92Å; L202-E205 WeakPolarHBondContact O-CB 3.17Å; L202-E205 PolarHBondContact O-N 2.67Å; A203-E205 VanDerWaalsContact C-N 3.34Å; A203-E205 PolarHBondContact O-N 3.02Å; E205-G207 PolarHBondContact O-N 3.25Å; E205-K255 VanDerWaalsContact CA-NZ 3.26Å; E205-K255 VanDerWaalsContact O-CE 3.31Å; E205-K255 WeakPolarHBondContact O-CE 3.46Å; E205-H292 PolarHBondContact O-CE1 3.38Å |
| 206 | T | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -4.2 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | F97 F165 Y169 R170 M171 L202 A203 | F97-T206 HydrophobicContact CZ-CG2 4.31Å; F165-T206 HydrophobicContact CB-CG2 4.27Å; F165-T206 HydrophobicContact CD1-CG2 3.98Å; F165-T206 HydrophobicContact CD2-CG2 4.08Å; F165-T206 HydrophobicContact CE1-CG2 4.32Å; F165-T206 HydrophobicContact CE2-CG2 4.43Å; F165-T206 HydrophobicContact CG-CG2 3.85Å; Y169-T206 VanDerWaalsContact O-O 3.04Å; R170-T206 WeakPolarHBondContact CG-O 3.49Å; M171-T206 HydrophobicContact CB-CG2 4.2Å; M171-T206 WeakPolarHBondContact CB-OG1 3.47Å; M171-T206 PolarHBondContact N-OG1 3.31Å; L202-T206 PolarHBondContact O-N 3.2Å; L202-T206 VanDerWaalsContact O-N 3.14Å; A203-T206 PolarHBondContact O-N 2.96Å; A203-T206 PolarHBondContact O-OG1 2.86Å |
| 207 | G | 89.8 | Confident | 88.2 | Confident | 29 Ų | 29 | 40.9 Ų | 40.9 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 20.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A203 E204 E205 | A203-G207 PolarHBondContact O-N 3.15Å; E204-G207 PolarHBondContact O-N 2.87Å; E204-G207 VanDerWaalsContact O-N 3.08Å; E205-G207 PolarHBondContact O-N 3.25Å |
| 208 | G | 91.8 | Very high | 89 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | trans | -102.1 | -158.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M171 A203 | M171-G208 WeakPolarHBondContact O-CA 3.49Å; A203-G208 CarbonylContact O-C 3.55Å; A203-G208 WeakPolarHBondContact O-CA 3.39Å; A203-G208 PolarHBondContact O-N 2.92Å | ||
| 209 | E | 90.9 | Very high | 89.6 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | trans | -146.5 | 155.8 | -173.4 | -69.3 | 176 | -164.4 | 0 | 0 | 111.5 | M171 Y172 S173 F211 K229 | M171-E209 PolarHBondContact O-N 3.43Å; Y172-E209 WeakPolarHBondContact CA-O 3.46Å; Y172-E209 HydrophobicContact CD1-CB 4.16Å; Y172-E209 HydrophobicContact CE1-CB 4.32Å; S173-E209 PolarHBondContact N-O 3.27Å; E209-F211 HydrophobicContact CB-CE2 4.28Å; E209-F211 HydrophobicContact CB-CZ 4.25Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.36Å; E209-K229 IonicContact OE1-NZ 2.84Å; E209-K229 PolarHBondContact OE1-NZ 2.81Å; E209-K229 IonicContact OE2-NZ 3.76Å; E209-K229 PolarHBondContact OE2-NZ 3.23Å | ||
| 210 | S | 90.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 47 Ų | 47 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.7 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | S173 | S173-S210 WeakPolarHBondContact CB-OG 3.49Å; S173-S210 CarbonylContact O-C 3.1Å; S173-S210 WeakPolarHBondContact O-CA 3.38Å; S173-S210 PolarHBondContact OG-OG 3.05Å |
| 211 | F | 91.6 | Very high | 90.5 | Very high | 37 Ų | 37 | 50 Ų | 50 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.4 | 179.1 | -56.5 | -86.6 | 0 | 0 | 0 | 109.8 | Y172 S173 L174 V175 E209 V213 C222 L226 | Y172-F211 AromaticContact CD1-CE2 3.88Å; Y172-F211 HydrophobicContact CD1-CE2 3.88Å; S173-F211 PolarHBondContact O-N 3.32Å; L174-F211 HydrophobicContact CD2-CB 3.86Å; L174-F211 HydrophobicContact CD2-CD2 3.86Å; L174-F211 HydrophobicContact CD2-CG 4.2Å; V175-F211 PolarHBondContact N-O 2.79Å; E209-F211 HydrophobicContact CB-CE2 4.28Å; E209-F211 HydrophobicContact CB-CZ 4.25Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.36Å; F211-V213 HydrophobicContact CB-CG2 4.47Å; F211-C222 VanDerWaalsContact CB-SG 3.52Å; F211-C222 VanDerWaalsContact CD1-SG 3.58Å; F211-C222 VanDerWaalsContact CD2-SG 3.59Å; F211-C222 WeakPolarHBondContact CG-SG 3.33Å; F211-L226 HydrophobicContact CD2-CD1 4.48Å; F211-L226 HydrophobicContact CE2-CD1 4.1Å |
| 212 | D | 89.9 | Confident | 90.9 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.5 | 171.2 | -66.2 | -36.8 | 0 | 0 | 0 | 108.9 | R177 Y214 | R177-D212 IonicContact CZ-OD1 3.15Å; R177-D212 VanDerWaalsContact CZ-OD1 3.23Å; R177-D212 IonicContact CZ-OD2 3.18Å; R177-D212 VanDerWaalsContact CZ-OD2 3.26Å; R177-D212 IonicContact NE-OD1 3.35Å; R177-D212 IonicContact NH1-OD1 3.2Å; R177-D212 PolarHBondContact NH1-OD1 3.25Å; R177-D212 IonicContact NH1-OD2 3.56Å; R177-D212 PolarHBondContact NH1-OD2 3.16Å; R177-D212 IonicContact NH2-OD1 2.73Å; R177-D212 PolarHBondContact NH2-OD1 3.2Å; R177-D212 IonicContact NH2-OD2 3.84Å; R177-D212 PolarHBondContact NH2-OD2 3.1Å; D212-Y214 HydrophobicContact CB-CE2 4Å |
| 213 | V | 91.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | -172.2 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | L174 V175 L176 R177 F178 F211 D215 E218 L219 | L174-V213 HydrophobicContact CD2-CG2 4.49Å; V175-V213 PolarHBondContact O-N 3.43Å; L176-V213 HydrophobicContact CD2-CB 4.47Å; R177-V213 PolarHBondContact N-O 3.4Å; F178-V213 HydrophobicContact CE2-CG1 3.87Å; F178-V213 HydrophobicContact CZ-CG1 4.34Å; F211-V213 HydrophobicContact CB-CG2 4.47Å; V213-D215 WeakPolarHBondContact CG1-O 3.36Å; V213-E218 HydrophobicContact CG1-CB 4.27Å; V213-L219 HydrophobicContact CG1-CB 3.63Å; V213-L219 HydrophobicContact CG1-CD1 4.08Å; V213-L219 HydrophobicContact CG1-CG 4.43Å; V213-L219 HydrophobicContact CG2-CD1 4.48Å |
| 214 | Y | 88.8 | Confident | 91.4 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | -108.1 | -26 | -175 | -62.4 | -93.5 | 0 | 0 | 0 | 114.2 | R177 P179 D212 E218 | R177-Y214 HydrophobicContact CB-CD1 3.68Å; R177-Y214 HydrophobicContact CB-CE1 3.61Å; R177-Y214 HydrophobicContact CB-CG 4.37Å; R177-Y214 HydrophobicContact CG-CE1 4.33Å; R177-Y214 PolarHBondContact NH1-OH 2.96Å; R177-Y214 WeakPolarHBondContact O-CD1 2.89Å; P179-Y214 VanDerWaalsContact CD-O 3.3Å; P179-Y214 WeakPolarHBondContact CD-O 3.35Å; D212-Y214 HydrophobicContact CB-CE2 4Å; Y214-E218 WeakPolarHBondContact CB-OE2 3.07Å; Y214-E218 WeakPolarHBondContact CD2-OE2 3.16Å; Y214-E218 PolarHBondContact N-OE2 3.09Å | ||
| 215 | D | 88.4 | Confident | 91.5 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -137.2 | 170.5 | 177.6 | 86.6 | 3 | 0 | 0 | 0 | 112.7 | F178 V213 R217 E218 L219 | F178-D215 VanDerWaalsContact CZ-C 3.46Å; V213-D215 WeakPolarHBondContact CG1-O 3.36Å; D215-R217 PolarHBondContact O-N 2.75Å; D215-R217 WeakPolarHBondContact OD1-CA 3.35Å; D215-R217 WeakPolarHBondContact OD1-CB 3.17Å; D215-R217 PolarHBondContact OD1-N 3.36Å; D215-R217 IonicContact OD2-CZ 2.75Å; D215-R217 IonicContact OD2-NE 2.57Å; D215-R217 PolarHBondContact OD2-NE 3.4Å; D215-R217 VanDerWaalsContact OD2-NE 3.1Å; D215-R217 IonicContact OD2-NH2 3.58Å; D215-R217 PolarHBondContact OD2-NH2 3.25Å; D215-E218 PolarHBondContact OD1-N 3.44Å; D215-L219 PolarHBondContact O-N 3.26Å; D215-L219 VanDerWaalsContact O-N 3.08Å |
| 216 | G | 89.8 | Confident | 91.8 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.1 | -19.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H220 | G216-H220 PolarHBondContact O-N 3.24Å |
| 217 | R | 90.5 | Very high | 91.9 | Very high | 179 Ų | 179 | 45.6 Ų | 45.6 | 68% | 0.675 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -81.8 | -45.8 | 179 | -65.7 | 177.7 | -65.7 | 173.9 | 0.7 | 110.6 | D215 L219 H220 Q221 | D215-R217 PolarHBondContact O-N 2.75Å; D215-R217 WeakPolarHBondContact OD1-CA 3.35Å; D215-R217 WeakPolarHBondContact OD1-CB 3.17Å; D215-R217 PolarHBondContact OD1-N 3.36Å; D215-R217 IonicContact OD2-CZ 2.75Å; D215-R217 IonicContact OD2-NE 2.57Å; D215-R217 PolarHBondContact OD2-NE 3.4Å; D215-R217 VanDerWaalsContact OD2-NE 3.1Å; D215-R217 IonicContact OD2-NH2 3.58Å; D215-R217 PolarHBondContact OD2-NH2 3.25Å; R217-L219 PolarHBondContact O-N 3.33Å; R217-H220 PolarHBondContact O-N 3.23Å; R217-H220 VanDerWaalsContact O-N 3.12Å; R217-Q221 WeakPolarHBondContact O-CG 3.46Å; R217-Q221 PolarHBondContact O-N 2.9Å |
| 218 | E | 91.4 | Very high | 91.9 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.5 | -40.2 | 170.7 | -72.5 | -175.4 | 169.3 | 0 | 0 | 110.6 | V213 Y214 D215 H220 Q221 C222 | V213-E218 HydrophobicContact CG1-CB 4.27Å; Y214-E218 WeakPolarHBondContact CB-OE2 3.07Å; Y214-E218 WeakPolarHBondContact CD2-OE2 3.16Å; Y214-E218 PolarHBondContact N-OE2 3.09Å; D215-E218 PolarHBondContact OD1-N 3.44Å; E218-H220 VanDerWaalsContact C-N 3.33Å; E218-H220 PolarHBondContact O-N 2.93Å; E218-Q221 PolarHBondContact O-N 3.21Å; E218-C222 WeakPolarHBondContact O-CB 3.37Å; E218-C222 PolarHBondContact O-N 3.07Å |
| 219 | L | 94.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 173.7 | -176.7 | 61.7 | 0 | 0 | 0 | 111 | V27 A31 L176 V213 D215 R217 C222 L223 | V27-L219 HydrophobicContact CG1-CD2 3.9Å; A31-L219 HydrophobicContact CB-CD1 4.01Å; A31-L219 HydrophobicContact CB-CD2 4.12Å; A31-L219 HydrophobicContact CB-CG 4.45Å; L176-L219 HydrophobicContact CD2-CD1 4.48Å; V213-L219 HydrophobicContact CG1-CB 3.63Å; V213-L219 HydrophobicContact CG1-CD1 4.08Å; V213-L219 HydrophobicContact CG1-CG 4.43Å; V213-L219 HydrophobicContact CG2-CD1 4.48Å; D215-L219 PolarHBondContact O-N 3.26Å; D215-L219 VanDerWaalsContact O-N 3.08Å; R217-L219 PolarHBondContact O-N 3.33Å; L219-C222 PolarHBondContact O-N 3.3Å; L219-L223 HydrophobicContact CD1-CD1 4.37Å; L219-L223 HydrophobicContact CD1-CG 4.41Å; L219-L223 HydrophobicContact CG-CD1 4.22Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 2.95Å |
| 220 | H | 94.1 | Very high | 91.6 | Very high | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -46.1 | -177.7 | -148.5 | 49.7 | 0 | 0 | 0 | 112.1 | I34 G216 R217 E218 C222 L223 D224 | I34-H220 VanDerWaalsContact CG2-CE1 3.46Å; I34-H220 WeakPolarHBondContact CG2-CE1 3.39Å; I34-H220 WeakPolarHBondContact CG2-ND1 3.44Å; G216-H220 PolarHBondContact O-N 3.24Å; R217-H220 PolarHBondContact O-N 3.23Å; R217-H220 VanDerWaalsContact O-N 3.12Å; E218-H220 VanDerWaalsContact C-N 3.33Å; E218-H220 PolarHBondContact O-N 2.93Å; H220-C222 VanDerWaalsContact C-N 3.32Å; H220-C222 PolarHBondContact O-N 3.28Å; H220-L223 PolarHBondContact O-N 3.27Å; H220-D224 PolarHBondContact O-N 3.23Å |
| 221 | Q | 93.5 | Very high | 91.4 | Very high | 137 Ų | 137 | 48.2 Ų | 48.2 | 64% | 0.64 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.1 | -40.8 | 176.3 | -68.9 | 176.6 | -3 | 0 | 0 | 112.2 | R217 E218 D224 S225 | R217-Q221 WeakPolarHBondContact O-CG 3.46Å; R217-Q221 PolarHBondContact O-N 2.9Å; E218-Q221 PolarHBondContact O-N 3.21Å; Q221-D224 PolarHBondContact O-N 3.05Å; Q221-S225 PolarHBondContact O-N 3.39Å; Q221-S225 VanDerWaalsContact O-N 3.07Å |
| 222 | C | 94.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L174 F211 E218 L219 H220 D224 S225 L226 | L174-C222 WeakPolarHBondContact CD2-SG 3.48Å; F211-C222 VanDerWaalsContact CB-SG 3.52Å; F211-C222 VanDerWaalsContact CD1-SG 3.58Å; F211-C222 VanDerWaalsContact CD2-SG 3.59Å; F211-C222 WeakPolarHBondContact CG-SG 3.33Å; E218-C222 WeakPolarHBondContact O-CB 3.37Å; E218-C222 PolarHBondContact O-N 3.07Å; L219-C222 PolarHBondContact O-N 3.3Å; H220-C222 VanDerWaalsContact C-N 3.32Å; H220-C222 PolarHBondContact O-N 3.28Å; C222-D224 PolarHBondContact O-N 3.42Å; C222-S225 PolarHBondContact O-N 3.16Å; C222-L226 WeakPolarHBondContact O-CB 3.44Å; C222-L226 PolarHBondContact O-N 2.66Å |
| 223 | L | 95.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.8 | -67.5 | 176.5 | 0 | 0 | 0 | 112.2 | A31 I34 F35 L174 L219 H220 S225 L226 V227 | A31-L223 HydrophobicContact CB-CD1 4.16Å; A31-L223 WeakPolarHBondContact O-CD1 3.43Å; I34-L223 HydrophobicContact CB-CD1 3.99Å; I34-L223 HydrophobicContact CG2-CD1 3.67Å; F35-L223 HydrophobicContact CB-CD2 4.22Å; F35-L223 HydrophobicContact CD2-CD2 4.18Å; L174-L223 HydrophobicContact CD1-CD2 3.94Å; L219-L223 HydrophobicContact CD1-CD1 4.37Å; L219-L223 HydrophobicContact CD1-CG 4.41Å; L219-L223 HydrophobicContact CG-CD1 4.22Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 2.95Å; H220-L223 PolarHBondContact O-N 3.27Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 3Å; L223-L226 PolarHBondContact O-N 3.12Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.37Å; L223-V227 PolarHBondContact O-N 3.13Å |
| 224 | D | 93.5 | Very high | 91.3 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 39% | 0.39 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 174.9 | -80.9 | -31.5 | 0 | 0 | 0 | 112.1 | I38 H220 Q221 C222 | I38-D224 WeakPolarHBondContact CD1-OD1 3.43Å; H220-D224 PolarHBondContact O-N 3.23Å; Q221-D224 PolarHBondContact O-N 3.05Å; C222-D224 PolarHBondContact O-N 3.42Å |
| 225 | S | 92.8 | Very high | 91.6 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.7 | -173.4 | 0 | 0 | 0 | 0 | 112 | Q221 C222 L223 V227 T228 K229 | Q221-S225 PolarHBondContact O-N 3.39Å; Q221-S225 VanDerWaalsContact O-N 3.07Å; C222-S225 PolarHBondContact O-N 3.16Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 3Å; S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 3.15Å; S225-T228 PolarHBondContact O-N 3.33Å; S225-T228 PolarHBondContact O-OG1 3.37Å; S225-K229 PolarHBondContact O-N 3Å |
| 226 | L | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -40 | -179.7 | -161.6 | 155.2 | 0 | 0 | 0 | 111.2 | F35 I127 Y172 L174 F211 C222 L223 T228 K229 C230 | F35-L226 HydrophobicContact CD2-CD2 4.13Å; F35-L226 HydrophobicContact CE2-CB 4.49Å; F35-L226 HydrophobicContact CE2-CD2 3.33Å; F35-L226 HydrophobicContact CE2-CG 4.47Å; F35-L226 HydrophobicContact CZ-CD2 4Å; I127-L226 HydrophobicContact CD1-CD2 3.52Å; I127-L226 HydrophobicContact CG1-CD1 4.44Å; I127-L226 HydrophobicContact CG1-CD2 3.92Å; I127-L226 HydrophobicContact CG2-CD1 4.46Å; Y172-L226 HydrophobicContact CD1-CD1 4.5Å; Y172-L226 HydrophobicContact CD1-CG 4.44Å; Y172-L226 HydrophobicContact CD2-CD1 4.49Å; Y172-L226 HydrophobicContact CD2-CD2 4.26Å; Y172-L226 HydrophobicContact CD2-CG 4.26Å; Y172-L226 HydrophobicContact CG-CD1 3.98Å; Y172-L226 HydrophobicContact CG-CG 4.08Å; L174-L226 HydrophobicContact CD2-CD1 4.37Å; F211-L226 HydrophobicContact CD2-CD1 4.48Å; F211-L226 HydrophobicContact CE2-CD1 4.1Å; C222-L226 WeakPolarHBondContact O-CB 3.44Å; C222-L226 PolarHBondContact O-N 2.66Å; L223-L226 PolarHBondContact O-N 3.12Å; L226-T228 VanDerWaalsContact C-N 3.29Å; L226-T228 PolarHBondContact O-N 2.91Å; L226-K229 PolarHBondContact O-N 3.48Å; L226-K229 VanDerWaalsContact O-N 3.08Å; L226-C230 PolarHBondContact O-N 3.39Å; L226-C230 PolarHBondContact O-SG 2.65Å |
| 227 | V | 92.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -35.2 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | F35 I38 R39 K42 L223 S225 K229 C230 | F35-V227 HydrophobicContact CD2-CG2 3.59Å; F35-V227 HydrophobicContact CE2-CB 4.31Å; F35-V227 HydrophobicContact CE2-CG2 3.33Å; F35-V227 HydrophobicContact CG-CG2 4.38Å; F35-V227 HydrophobicContact CZ-CG2 3.98Å; I38-V227 HydrophobicContact CB-CG2 4.21Å; I38-V227 HydrophobicContact CG2-CB 4.3Å; I38-V227 HydrophobicContact CG2-CG1 4.1Å; I38-V227 HydrophobicContact CG2-CG2 3.9Å; R39-V227 PolarHBondContact NH1-O 3.42Å; K42-V227 HydrophobicContact CD-CG1 3.67Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.37Å; L223-V227 PolarHBondContact O-N 3.13Å; S225-V227 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 3.15Å; V227-K229 VanDerWaalsContact C-N 3.34Å; V227-C230 PolarHBondContact O-N 3.44Å |
| 228 | T | 89.5 | Confident | 92.2 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72 | -30.4 | 177.4 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | S225 L226 C230 | S225-T228 PolarHBondContact O-N 3.33Å; S225-T228 PolarHBondContact O-OG1 3.37Å; L226-T228 VanDerWaalsContact C-N 3.29Å; L226-T228 PolarHBondContact O-N 2.91Å; T228-C230 VanDerWaalsContact C-N 3.33Å; T228-C230 PolarHBondContact O-N 3.33Å |
| 229 | K | 90.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 34 Ų | 34 | 22% | 0.217 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.7 | -18.7 | 177 | -57.9 | -176.9 | -174.6 | -164.9 | 0 | 113.4 | R170 Y172 E209 S225 L226 V227 Q231 | R170-K229 PolarHBondContact NH1-O 3.42Å; Y172-K229 HydrophobicContact CE1-CB 4.39Å; Y172-K229 HydrophobicContact CE1-CD 4.04Å; Y172-K229 VanDerWaalsContact OH-CB 3.3Å; Y172-K229 WeakPolarHBondContact OH-CB 3.32Å; E209-K229 IonicContact OE1-NZ 2.84Å; E209-K229 PolarHBondContact OE1-NZ 2.81Å; E209-K229 IonicContact OE2-NZ 3.76Å; E209-K229 PolarHBondContact OE2-NZ 3.23Å; S225-K229 PolarHBondContact O-N 3Å; L226-K229 PolarHBondContact O-N 3.48Å; L226-K229 VanDerWaalsContact O-N 3.08Å; V227-K229 VanDerWaalsContact C-N 3.34Å; K229-Q231 PolarHBondContact O-N 3.33Å |
| 230 | C | 87.9 | Confident | 91.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -73.9 | 38.1 | 176.9 | -67.1 | 0 | 0 | 0 | 0 | 114.7 | R39 V125 L226 V227 T228 | R39-C230 PolarHBondContact NH1-O 3.11Å; R39-C230 PolarHBondContact NH2-O 3.01Å; V125-C230 HydrophobicContact CG2-CB 4.41Å; L226-C230 PolarHBondContact O-N 3.39Å; L226-C230 PolarHBondContact O-SG 2.65Å; V227-C230 PolarHBondContact O-N 3.44Å; T228-C230 VanDerWaalsContact C-N 3.33Å; T228-C230 PolarHBondContact O-N 3.33Å | ||
| 231 | Q | 86.8 | Confident | 90.9 | Very high | 70 Ų | 70 | 33.2 Ų | 33.2 | 33% | 0.327 | 17% | 0.172 | S | C | . | . | trans | -83.2 | 147 | 174.7 | 63.9 | -168.2 | 1.2 | 0 | 0 | 111.6 | R170 K229 G233 L257 | R170-Q231 PolarHBondContact NH2-O 3.25Å; K229-Q231 PolarHBondContact O-N 3.33Å; Q231-G233 PolarHBondContact O-N 3.04Å; Q231-L257 HydrophobicContact CG-CD2 4.31Å | ||
| 232 | P | 87.7 | Confident | 89.5 | Confident | 50 Ų | 50 | 29.6 Ų | 29.6 | 33% | 0.325 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -64.4 | 124.6 | 175.4 | 28.2 | -34.3 | 0 | 0 | 0 | 110.4 | T2 P123 V260 | T2-P232 HydrophobicContact CG2-CB 4.41Å; P123-P232 HydrophobicContact CB-CB 4.39Å; P123-P232 HydrophobicContact CG-CB 3.94Å; P232-V260 PolarHBondContact O-N 2.66Å |
| 233 | G | 89.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q231 M258 | Q231-G233 PolarHBondContact O-N 3.04Å; G233-M258 CarbonylContact C-O 3.54Å; G233-M258 WeakPolarHBondContact CA-O 3.3Å |
| 234 | V | 93.5 | Very high | 85 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.9 | 179.3 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | I121 W167 D168 M258 V260 | I121-V234 HydrophobicContact CB-CG1 4.48Å; I121-V234 HydrophobicContact CG2-CG1 3.4Å; W167-V234 HydrophobicContact CD2-CB 3.79Å; W167-V234 HydrophobicContact CD2-CG1 3.69Å; W167-V234 HydrophobicContact CE3-CB 3.41Å; W167-V234 VanDerWaalsContact CE3-CB 3.41Å; W167-V234 HydrophobicContact CE3-CG1 3.68Å; W167-V234 HydrophobicContact CE3-CG2 3.74Å; W167-V234 HydrophobicContact CG-CB 4.34Å; W167-V234 HydrophobicContact CG-CG1 4.32Å; W167-V234 HydrophobicContact CH2-CG1 4.14Å; W167-V234 HydrophobicContact CZ2-CG1 4.09Å; W167-V234 HydrophobicContact CZ3-CB 3.84Å; W167-V234 HydrophobicContact CZ3-CG1 3.9Å; W167-V234 HydrophobicContact CZ3-CG2 3.7Å; W167-V234 CarbonylContact O-C 3.54Å; W167-V234 WeakPolarHBondContact O-CA 3.13Å; D168-V234 HydrophobicContact CB-CG1 4.17Å; V234-M258 HydrophobicContact CG2-CB 3.97Å; V234-M258 HydrophobicContact CG2-CE 3.29Å; V234-M258 HydrophobicContact CG2-CG 4.41Å; V234-M258 PolarHBondContact N-O 3.49Å; V234-M258 PolarHBondContact O-N 3.1Å; V234-V260 HydrophobicContact CG1-CG2 4.09Å; V234-V260 HydrophobicContact CG2-CG2 3.89Å |
| 235 | V | 94.3 | Very high | 82.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.7 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | W167 R170 K255 L257 H292 | W167-V235 PolarHBondContact O-N 2.8Å; R170-V235 HydrophobicContact CG-CG2 4.23Å; V235-K255 HydrophobicContact CG1-CB 4.07Å; V235-K255 HydrophobicContact CG1-CG 4.39Å; V235-L257 HydrophobicContact CG2-CD1 4.18Å; V235-H292 VanDerWaalsContact CG1-CE1 3.49Å; V235-H292 WeakPolarHBondContact CG1-CE1 3.49Å |
| 236 | L | 94.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.8 | 173 | 61.9 | 88.8 | 0 | 0 | 0 | 109.5 | L238 K255 Q256 M258 P293 L366 | L236-L238 HydrophobicContact CD1-CD1 4.03Å; L236-L238 HydrophobicContact CD1-CD2 3.22Å; L236-L238 HydrophobicContact CD1-CG 3.33Å; L236-K255 CarbonylContact O-C 3.5Å; L236-K255 WeakPolarHBondContact O-CA 3.33Å; L236-Q256 HydrophobicContact CD1-CB 4.08Å; L236-Q256 PolarHBondContact N-O 2.77Å; L236-Q256 PolarHBondContact O-N 3.29Å; L236-M258 HydrophobicContact CD2-CB 3.78Å; L236-M258 HydrophobicContact CD2-CE 4.06Å; L236-M258 HydrophobicContact CD2-CG 4.3Å; L236-M258 HydrophobicContact CD2-SD 3.64Å; L236-P293 HydrophobicContact CB-CG 3.94Å; L236-L366 HydrophobicContact CD2-CD2 4.13Å |
| 237 | K | 94.1 | Very high | 77 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 17% | 0.174 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116 | 179.1 | -76.7 | 176 | -173 | 172.1 | 0 | 108.9 | F253 V254 K255 H292 P293 E294 V295 | K237-F253 HydrophobicContact CB-CB 4.07Å; K237-F253 HydrophobicContact CB-CD1 3.86Å; K237-F253 HydrophobicContact CB-CG 4.26Å; K237-F253 HydrophobicContact CD-CB 4.34Å; K237-F253 HydrophobicContact CG-CB 4.39Å; K237-V254 WeakPolarHBondContact CA-O 3.46Å; K237-K255 HydrophobicContact CG-CG 4.3Å; K237-H292 HydrophobicContact CD-CB 4.14Å; K237-H292 HydrophobicContact CG-CB 4.01Å; K237-P293 PolarHBondContact N-O 3.36Å; K237-E294 HydrophobicContact CB-CB 4.47Å; K237-E294 HydrophobicContact CB-CG 3.76Å; K237-E294 HydrophobicContact CD-CG 3.66Å; K237-E294 WeakPolarHBondContact CD-OE1 3.36Å; K237-E294 HydrophobicContact CG-CG 4.36Å; K237-E294 IonicContact NZ-OE1 2.77Å; K237-E294 PolarHBondContact NZ-OE1 3.07Å; K237-E294 VanDerWaalsContact NZ-OE1 3.1Å; K237-E294 WeakPolarHBondContact O-CA 3.47Å; K237-V295 PolarHBondContact O-N 3.12Å |
| 238 | L | 92.9 | Very high | 74.5 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 141 | 175.9 | -63.1 | -178.9 | 0 | 0 | 0 | 110.6 | L236 F253 V254 Q256 V295 V297 L318 L323 L355 | L236-L238 HydrophobicContact CD1-CD1 4.03Å; L236-L238 HydrophobicContact CD1-CD2 3.22Å; L236-L238 HydrophobicContact CD1-CG 3.33Å; L238-F253 WeakPolarHBondContact O-CA 3.41Å; L238-V254 PolarHBondContact N-O 3.31Å; L238-V254 PolarHBondContact O-N 2.93Å; L238-Q256 HydrophobicContact CD1-CB 4.02Å; L238-Q256 HydrophobicContact CD1-CG 3.95Å; L238-Q256 HydrophobicContact CG-CB 4.19Å; L238-V295 HydrophobicContact CD2-CB 3.88Å; L238-V295 HydrophobicContact CD2-CG1 4.22Å; L238-V297 HydrophobicContact CD2-CG2 4.11Å; L238-L318 HydrophobicContact CD1-CD1 4.13Å; L238-L323 HydrophobicContact CB-CD2 3.54Å; L238-L323 HydrophobicContact CD1-CD2 3.59Å; L238-L323 HydrophobicContact CG-CD2 4.15Å; L238-L355 HydrophobicContact CD1-CD1 4.41Å |
| 239 | R | 90.1 | Very high | 72.2 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 18% | 0.177 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.2 | 170.7 | 179 | 179.4 | -171.9 | 174.8 | 5.7 | 109.7 | E251 F253 V295 L296 V297 | R239-E251 VanDerWaalsContact CZ-O 3.26Å; R239-E251 PolarHBondContact NE-O 3.03Å; R239-E251 PolarHBondContact NH2-O 3Å; R239-F253 HydrophobicContact CB-CD1 3.39Å; R239-F253 HydrophobicContact CB-CE1 3.4Å; R239-F253 HydrophobicContact CB-CG 4Å; R239-F253 HydrophobicContact CB-CZ 4.02Å; R239-F253 HydrophobicContact CG-CD1 4.44Å; R239-F253 HydrophobicContact CG-CE1 4.36Å; R239-V295 PolarHBondContact N-O 3.24Å; R239-V295 VanDerWaalsContact N-O 3.08Å; R239-L296 HydrophobicContact CB-CD2 4.2Å; R239-L296 HydrophobicContact CG-CD2 4.37Å; R239-L296 CarbonylContact O-C 3.58Å; R239-L296 WeakPolarHBondContact O-CA 3.42Å; R239-V297 PolarHBondContact O-N 3.45Å |
| 240 | R | 85.9 | Confident | 70.1 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 139 | 171.4 | -67.6 | -170.3 | 169.8 | 135.3 | 6.1 | 111 | T242 E251 V297 K299 E326 | R240-T242 PolarHBondContact O-N 3.07Å; R240-E251 WeakPolarHBondContact CB-OE2 3.27Å; R240-V297 CarbonylContact C-O 3.45Å; R240-V297 WeakPolarHBondContact CA-O 3.41Å; R240-K299 HydrophobicContact CB-CG 4.41Å; R240-E326 IonicContact CZ-OE2 2.78Å; R240-E326 IonicContact NH1-OE2 3.98Å; R240-E326 PolarHBondContact NH1-OE2 2.89Å; R240-E326 IonicContact NH2-OE2 2.69Å; R240-E326 PolarHBondContact NH2-OE2 3.36Å |
| 241 | S | 76.7 | Confident | 68.8 | Low | 28 Ų | 28 | 70.4 Ų | 70.4 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | trans | -62.5 | 132.8 | 174.1 | -168.5 | 0 | 0 | 0 | 0 | 109.8 | D243 V297 K299 | S241-D243 PolarHBondContact OG-OD1 2.91Å; S241-V297 PolarHBondContact N-O 3.4Å; S241-K299 WeakPolarHBondContact O-CD 3.3Å; S241-K299 WeakPolarHBondContact O-CE 3.29Å; S241-K299 WeakPolarHBondContact O-CG 3.15Å | ||
| 242 | T | 63.9 | Low | 68.4 | Low | 61 Ų | 61 | 75.9 Ų | 75.9 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | trans | -105.4 | 106.5 | 172.7 | 43.1 | 0 | 0 | 0 | 0 | 108 | R240 C244 | R240-T242 PolarHBondContact O-N 3.07Å; T242-C244 VanDerWaalsContact C-N 3.32Å | ||
| 243 | D | 54.5 | Low | 68.2 | Low | 116 Ų | 116 | 75.9 Ų | 75.9 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | trans | -92 | 8.8 | 176 | -63.8 | -36.8 | 0 | 0 | 0 | 112.6 | S241 | S241-D243 PolarHBondContact OG-OD1 2.91Š| ||
| 244 | C | 40.7 | Very low | 68.1 | Low | 93 Ų | 93 | 78.9 Ų | 78.9 | 63% | 0.628 | 43% | 0.428 | S | S | * | . | trans | -106.8 | 136.7 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | T242 D246 | T242-C244 VanDerWaalsContact C-N 3.32Å; C244-D246 PolarHBondContact O-N 3.06Å | ||
| 245 | V | 42.2 | Very low | 68 | Low | 140 Ų | 140 | 82.9 Ų | 82.9 | 85% | 0.848 | 45% | 0.446 | S | S | * | . | trans | -72.6 | -3.8 | -179.9 | -176 | 0 | 0 | 0 | 0 | 112.4 | T247 | V245-T247 PolarHBondContact O-N 3.47Š| ||
| 246 | D | 36.8 | Very low | 67.9 | Low | 144 Ų | 144 | 82.9 Ų | 82.9 | 77% | 0.77 | 45% | 0.446 | S | S | * | . | trans | -81.9 | 95.2 | -175.9 | -62.3 | -35.2 | 0 | 0 | 0 | 112.4 | C244 V248 | C244-D246 PolarHBondContact O-N 3.06Å; D246-V248 PolarHBondContact O-N 3.42Å; D246-V248 VanDerWaalsContact O-N 3.16Å | ||
| 247 | T | 33.7 | Very low | 67.9 | Low | 131 Ų | 131 | 84.4 Ų | 84.4 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.4 | 108 | 155.3 | 32.7 | 0 | 0 | 0 | 0 | 111.2 | V245 | V245-T247 PolarHBondContact O-N 3.47Š|
| 248 | V | 39.9 | Very low | 67.8 | Low | 147 Ų | 147 | 82.5 Ų | 82.5 | 89% | 0.891 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -172 | -26.3 | 140.2 | 165.1 | 0 | 0 | 0 | 0 | 111.7 | D246 | D246-V248 PolarHBondContact O-N 3.42Å; D246-V248 VanDerWaalsContact O-N 3.16Å |
| 249 | C | 41 | Very low | 67.7 | Low | 109 Ų | 109 | 83.1 Ų | 83.1 | 74% | 0.736 | 45% | 0.45 | S | S | * | . | trans | -118.1 | 80.9 | -179.2 | -129.3 | 0 | 0 | 0 | 0 | 112.5 | E251 | C249-E251 VanDerWaalsContact C-N 3.32Å; C249-E251 PolarHBondContact O-N 2.91Å | ||
| 250 | Q | 46 | Very low | 67.5 | Low | 168 Ų | 168 | 81.1 Ų | 81.1 | 79% | 0.785 | 44% | 0.443 | S | S | * | . | trans | -68.7 | 92.8 | 166.6 | -69.4 | -172.7 | 5.9 | 0 | 0 | 108.5 | K252 | Q250-K252 PolarHBondContact O-N 3.33Š| ||
| 251 | E | 60.6 | Low | 67.1 | Low | 76 Ų | 76 | 85.2 Ų | 85.2 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 118.4 | 171.2 | -78.1 | -176.2 | -169.4 | 0 | 0 | 108.9 | R239 R240 C249 | R239-E251 VanDerWaalsContact CZ-O 3.26Å; R239-E251 PolarHBondContact NE-O 3.03Å; R239-E251 PolarHBondContact NH2-O 3Å; R240-E251 WeakPolarHBondContact CB-OE2 3.27Å; C249-E251 VanDerWaalsContact C-N 3.32Å; C249-E251 PolarHBondContact O-N 2.91Å |
| 252 | K | 78.8 | Confident | 66.5 | Low | 185 Ų | 185 | 88.1 Ų | 88.1 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 147.4 | 179 | -68 | -177.4 | 178.2 | -179.4 | 0 | 109.3 | Q250 V254 | Q250-K252 PolarHBondContact O-N 3.33Å; K252-V254 PolarHBondContact O-N 3.43Å |
| 253 | F | 82.5 | Confident | 66.1 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 22% | 0.219 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 130 | 169.6 | -79.6 | -83.1 | 0 | 0 | 0 | 110.4 | K237 L238 R239 E294 L296 Y342 | K237-F253 HydrophobicContact CB-CB 4.07Å; K237-F253 HydrophobicContact CB-CD1 3.86Å; K237-F253 HydrophobicContact CB-CG 4.26Å; K237-F253 HydrophobicContact CD-CB 4.34Å; K237-F253 HydrophobicContact CG-CB 4.39Å; L238-F253 WeakPolarHBondContact O-CA 3.41Å; R239-F253 HydrophobicContact CB-CD1 3.39Å; R239-F253 HydrophobicContact CB-CE1 3.4Å; R239-F253 HydrophobicContact CB-CG 4Å; R239-F253 HydrophobicContact CB-CZ 4.02Å; R239-F253 HydrophobicContact CG-CD1 4.44Å; R239-F253 HydrophobicContact CG-CE1 4.36Å; F253-E294 HydrophobicContact CD1-CB 4.32Å; F253-E294 HydrophobicContact CD1-CG 4.23Å; F253-E294 HydrophobicContact CE1-CB 3.71Å; F253-E294 HydrophobicContact CE1-CG 4.05Å; F253-E294 HydrophobicContact CZ-CB 4.01Å; F253-E294 HydrophobicContact CZ-CG 4.28Å; F253-L296 HydrophobicContact CE1-CD2 4.49Å; F253-L296 HydrophobicContact CZ-CD2 4.4Å; F253-Y342 HydrophobicContact CE2-CE2 4.48Å; F253-Y342 HydrophobicContact CZ-CD1 4.29Å; F253-Y342 AromaticContact CZ-CD2 3.84Å; F253-Y342 HydrophobicContact CZ-CD2 3.84Å; F253-Y342 HydrophobicContact CZ-CE2 4.11Å; F253-Y342 AromaticContact CZ-CG 3.93Å; F253-Y342 HydrophobicContact CZ-CG 3.93Å |
| 254 | V | 88.8 | Confident | 66.2 | Low | 63 Ų | 63 | 91.9 Ų | 91.9 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.5 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | K237 L238 K252 Q256 L323 | K237-V254 WeakPolarHBondContact CA-O 3.46Å; L238-V254 PolarHBondContact N-O 3.31Å; L238-V254 PolarHBondContact O-N 2.93Å; K252-V254 PolarHBondContact O-N 3.43Å; V254-Q256 PolarHBondContact O-N 2.79Å; V254-L323 HydrophobicContact CB-CD2 4.44Å |
| 255 | K | 91.5 | Very high | 67.2 | Low | 84 Ų | 84 | 97.8 Ų | 97.8 | 37% | 0.365 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 129.9 | 173.1 | -66.3 | 174.7 | -169.6 | 134.7 | 0 | 109 | E204 E205 V235 L236 K237 | E204-K255 VanDerWaalsContact C-NZ 3.31Å; E204-K255 WeakPolarHBondContact O-CD 3.41Å; E204-K255 WeakPolarHBondContact O-CE 3.3Å; E204-K255 PolarHBondContact O-NZ 3.37Å; E205-K255 VanDerWaalsContact CA-NZ 3.26Å; E205-K255 VanDerWaalsContact O-CE 3.31Å; E205-K255 WeakPolarHBondContact O-CE 3.46Å; V235-K255 HydrophobicContact CG1-CB 4.07Å; V235-K255 HydrophobicContact CG1-CG 4.39Å; L236-K255 CarbonylContact O-C 3.5Å; L236-K255 WeakPolarHBondContact O-CA 3.33Å; K237-K255 HydrophobicContact CG-CG 4.3Å |
| 256 | Q | 92.2 | Very high | 68.8 | Low | 4 Ų | 4 | 95 Ų | 95 | 2% | 0.019 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.5 | -176.6 | -176.5 | 56.9 | 61.5 | 0 | 0 | 109 | L236 L238 V254 L318 T319 S321 | L236-Q256 HydrophobicContact CD1-CB 4.08Å; L236-Q256 PolarHBondContact N-O 2.77Å; L236-Q256 PolarHBondContact O-N 3.29Å; L238-Q256 HydrophobicContact CD1-CB 4.02Å; L238-Q256 HydrophobicContact CD1-CG 3.95Å; L238-Q256 HydrophobicContact CG-CB 4.19Å; V254-Q256 PolarHBondContact O-N 2.79Å; Q256-L318 HydrophobicContact CG-CB 4.23Å; Q256-L318 HydrophobicContact CG-CD1 4.21Å; Q256-L318 HydrophobicContact CG-CD2 4.02Å; Q256-L318 HydrophobicContact CG-CG 4.38Å; Q256-T319 PolarHBondContact NE2-O 3.29Å; Q256-S321 VanDerWaalsContact OE1-CB 3.3Å; Q256-S321 PolarHBondContact OE1-OG 2.83Å |
| 257 | L | 92.8 | Very high | 71 | Confident | 31 Ų | 31 | 88.5 Ų | 88.5 | 16% | 0.162 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.1 | 174.3 | -179.3 | 67.7 | 0 | 0 | 0 | 109.2 | Q231 V235 T319 | Q231-L257 HydrophobicContact CG-CD2 4.31Å; V235-L257 HydrophobicContact CG2-CD1 4.18Å; L257-T319 WeakPolarHBondContact CB-OG1 2.99Å; L257-T319 WeakPolarHBondContact CG-OG1 3.48Å; L257-T319 WeakPolarHBondContact O-CB 3.38Å; L257-T319 PolarHBondContact O-N 2.82Å; L257-T319 PolarHBondContact O-OG1 2.87Å |
| 258 | M | 93.3 | Very high | 73.6 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122 | 176.5 | -179.9 | 174 | 75.5 | 0 | 0 | 109.4 | P118 G233 V234 L236 Y316 L318 L366 | P118-M258 HydrophobicContact CB-CE 4.01Å; P118-M258 HydrophobicContact CG-CE 4.14Å; G233-M258 CarbonylContact C-O 3.54Å; G233-M258 WeakPolarHBondContact CA-O 3.3Å; V234-M258 HydrophobicContact CG2-CB 3.97Å; V234-M258 HydrophobicContact CG2-CE 3.29Å; V234-M258 HydrophobicContact CG2-CG 4.41Å; V234-M258 PolarHBondContact N-O 3.49Å; V234-M258 PolarHBondContact O-N 3.1Å; L236-M258 HydrophobicContact CD2-CB 3.78Å; L236-M258 HydrophobicContact CD2-CE 4.06Å; L236-M258 HydrophobicContact CD2-CG 4.3Å; L236-M258 HydrophobicContact CD2-SD 3.64Å; M258-Y316 HydrophobicContact CE-CD2 4.25Å; M258-Y316 HydrophobicContact CE-CG 4.13Å; M258-Y316 VanDerWaalsContact CG-CB 3.4Å; M258-Y316 HydrophobicContact CG-CG 4.17Å; M258-Y316 WeakPolarHBondContact SD-CB 3Å; M258-Y316 HydrophobicContact SD-CD2 3.96Å; M258-Y316 HydrophobicContact SD-CG 3.73Å; M258-L318 HydrophobicContact CB-CD2 3.85Å; M258-L318 HydrophobicContact CG-CD2 3.96Å; M258-L318 HydrophobicContact SD-CD2 4.46Å; M258-L366 HydrophobicContact SD-CB 4.33Å; M258-L366 HydrophobicContact SD-CD2 3.74Å |
| 259 | S | 90.3 | Very high | 76.2 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.6 | -179.5 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | E317 | S259-E317 WeakPolarHBondContact CB-O 3.23Å; S259-E317 PolarHBondContact N-O 3.21Å |
| 260 | V | 85.5 | Confident | 78.7 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | trans | -114.4 | 96.1 | 178.9 | -174 | 0 | 0 | 0 | 0 | 108.3 | P118 I121 P232 V234 L262 Y316 | P118-V260 VanDerWaalsContact O-CG1 3.27Å; P118-V260 WeakPolarHBondContact O-CG1 3.49Å; I121-V260 HydrophobicContact CD1-CB 3.7Å; I121-V260 HydrophobicContact CD1-CG1 3.77Å; I121-V260 HydrophobicContact CD1-CG2 4.33Å; I121-V260 HydrophobicContact CG1-CG1 4.45Å; P232-V260 PolarHBondContact O-N 2.66Å; V234-V260 HydrophobicContact CG1-CG2 4.09Å; V234-V260 HydrophobicContact CG2-CG2 3.89Å; V260-L262 HydrophobicContact CG1-CD2 4.38Å; V260-L262 HydrophobicContact CG1-CG 4.14Å; V260-L262 PolarHBondContact O-N 2.82Å; V260-Y316 HydrophobicContact CG1-CE1 4.12Å; V260-Y316 HydrophobicContact CG2-CD1 4.32Å; V260-Y316 HydrophobicContact CG2-CE1 4.49Å | ||
| 261 | K | 77.6 | Confident | 81 | Confident | 140 Ų | 140 | 63.4 Ų | 63.4 | 61% | 0.609 | 33% | 0.327 | S | S | * | . | trans | -88.2 | 92.8 | 175.5 | -67.5 | 169.9 | -178.4 | 157.7 | 0 | 108.9 | M263 E317 | K261-M263 PolarHBondContact O-N 3.16Å; K261-E317 IonicContact NZ-OE2 3.07Å; K261-E317 PolarHBondContact NZ-OE2 3Å | ||
| 262 | L | 63.9 | Low | 82.6 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | trans | -73.5 | 72.1 | 174.6 | -71.5 | 168.9 | 0 | 0 | 0 | 111 | I121 V260 G264 | I121-L262 HydrophobicContact CD1-CD1 4.15Å; I121-L262 HydrophobicContact CG1-CD1 3.83Å; V260-L262 HydrophobicContact CG1-CD2 4.38Å; V260-L262 HydrophobicContact CG1-CG 4.14Å; V260-L262 PolarHBondContact O-N 2.82Å; L262-G264 PolarHBondContact O-N 3.34Å | ||
| 263 | M | 56.2 | Low | 83.2 | Confident | 172 Ų | 172 | 51.2 Ų | 51.2 | 85% | 0.847 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -80.9 | 59.9 | 172.2 | -66 | -160.8 | 76.8 | 0 | 0 | 111.1 | K261 R265 | K261-M263 PolarHBondContact O-N 3.16Å; M263-R265 PolarHBondContact O-N 3.04Å; M263-R265 VanDerWaalsContact O-N 3.1Å |
| 264 | G | 57.2 | Low | 83.5 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 87% | 0.866 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 70 | 3.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L262 | L262-G264 PolarHBondContact O-N 3.34Š|
| 265 | R | 60.4 | Low | 83.5 | Confident | 217 Ų | 217 | 48.9 Ų | 48.9 | 82% | 0.819 | 26% | 0.258 | S | S | * | . | trans | -105 | 127.5 | 175.3 | -64.5 | -174.9 | 178.7 | -175.3 | -0.8 | 110 | M263 | M263-R265 PolarHBondContact O-N 3.04Å; M263-R265 VanDerWaalsContact O-N 3.1Å | ||
| 266 | S | 75.7 | Confident | 83.3 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 57% | 0.566 | 25% | 0.247 | S | C | * | . | trans | -71.4 | 149.3 | 163.7 | 55.7 | 0 | 0 | 0 | 0 | 109.5 | S268 | S266-S268 PolarHBondContact O-N 3.08Š| ||
| 267 | S | 83.1 | Confident | 83 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | trans | -61.4 | 134.6 | 170.5 | 54 | 0 | 0 | 0 | 0 | 109 | Y117 S119 D314 Y316 | Y117-S267 WeakPolarHBondContact CB-OG 3.45Å; Y117-S267 VanDerWaalsContact CD1-OG 3.29Å; Y117-S267 WeakPolarHBondContact CD1-OG 3.49Å; S119-S267 VanDerWaalsContact CB-N 3.26Å; S119-S267 WeakPolarHBondContact CB-OG 3.17Å; S119-S267 PolarHBondContact N-OG 3.28Å; S119-S267 PolarHBondContact OG-N 3.02Å; S119-S267 PolarHBondContact OG-OG 3.48Å; S267-D314 WeakPolarHBondContact CA-OD2 3.14Å; S267-Y316 WeakPolarHBondContact CB-OH 3.36Å | ||
| 268 | S | 88.4 | Confident | 82.5 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -79.1 | -37.9 | 177.6 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | S266 D314 P411 | S266-S268 PolarHBondContact O-N 3.08Å; S268-D314 WeakPolarHBondContact CA-OD2 3.35Å; S268-D314 VanDerWaalsContact N-CG 3.28Å; S268-D314 PolarHBondContact N-OD1 3.06Å; S268-D314 VanDerWaalsContact N-OD1 3.08Å; S268-D314 PolarHBondContact N-OD2 2.95Å; S268-D314 PolarHBondContact OG-OD1 3.35Å; S268-P411 WeakPolarHBondContact O-CB 3.19Å |
| 269 | W | 93.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -119.4 | 134.5 | -171.4 | -55.1 | 109.9 | 0 | 0 | 0 | 111.8 | F311 P312 D314 I368 P370 Y408 P411 L412 S415 | W269-F311 HydrophobicContact CH2-CZ 4.34Å; W269-F311 HydrophobicContact CZ2-CE1 4.25Å; W269-F311 HydrophobicContact CZ2-CE2 4.03Å; W269-F311 AromaticContact CZ2-CZ 3.48Å; W269-F311 HydrophobicContact CZ2-CZ 3.48Å; W269-F311 VanDerWaalsContact CZ2-CZ 3.48Å; W269-P312 HydrophobicContact CZ2-CG 4.04Å; W269-P312 PolarHBondContact NE1-O 3.28Å; W269-D314 PolarHBondContact N-OD2 3.31Å; W269-I368 HydrophobicContact CB-CB 4.49Å; W269-I368 HydrophobicContact CB-CG2 3.72Å; W269-P370 HydrophobicContact CD2-CG 4.18Å; W269-P370 HydrophobicContact CE3-CB 4.35Å; W269-P370 HydrophobicContact CE3-CG 4.03Å; W269-P370 HydrophobicContact CH2-CB 4.4Å; W269-P370 HydrophobicContact CH2-CG 3.54Å; W269-P370 HydrophobicContact CZ2-CG 3.66Å; W269-P370 HydrophobicContact CZ3-CB 4.13Å; W269-P370 HydrophobicContact CZ3-CG 3.71Å; W269-Y408 HydrophobicContact CE3-CD1 4.37Å; W269-P411 HydrophobicContact CE3-CB 3.62Å; W269-P411 HydrophobicContact CH2-CB 4.44Å; W269-P411 HydrophobicContact CZ3-CB 3.51Å; W269-L412 HydrophobicContact CH2-CD2 3.95Å; W269-L412 HydrophobicContact CH2-CG 4.49Å; W269-L412 HydrophobicContact CZ3-CD2 3.91Å; W269-L412 HydrophobicContact CZ3-CG 4.09Å; W269-S415 WeakPolarHBondContact CH2-OG 3.36Å |
| 270 | P | 93.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 149.7 | 171.5 | 31.1 | -30.6 | 0 | 0 | 0 | 111.2 | I116 Y117 Y407 Y408 | I116-P270 CarbonylContact O-C 3.51Å; I116-P270 WeakPolarHBondContact O-CA 3.45Å; Y117-P270 HydrophobicContact CD1-CB 4.01Å; Y117-P270 HydrophobicContact CD2-CB 4.39Å; Y117-P270 HydrophobicContact CE1-CB 3.81Å; Y117-P270 HydrophobicContact CE1-CG 4.01Å; Y117-P270 HydrophobicContact CE2-CB 4.12Å; Y117-P270 HydrophobicContact CG-CB 4.3Å; P270-Y407 HydrophobicContact CG-CD2 4.29Å; P270-Y407 HydrophobicContact CG-CE2 4.26Å; P270-Y408 HydrophobicContact CG-CD1 4.28Å; P270-Y408 HydrophobicContact CG-CE1 3.83Å; P270-Y408 HydrophobicContact CG-CE2 4.43Å; P270-Y408 PolarHBondContact O-OH 3.36Å |
| 271 | I | 94.6 | Very high | 81.1 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -67.8 | 131.6 | 157.7 | -61 | 173.4 | 0 | 0 | 0 | 107 | I116 P118 W167 P293 F352 I368 | I116-I271 HydrophobicContact CB-CB 4.28Å; I116-I271 PolarHBondContact N-O 3.48Å; I116-I271 PolarHBondContact O-N 3.38Å; P118-I271 HydrophobicContact CG-CD1 4.17Å; P118-I271 HydrophobicContact CG-CG1 4.33Å; W167-I271 HydrophobicContact CZ3-CD1 4.43Å; I271-P293 HydrophobicContact CD1-CG 4.41Å; I271-P293 HydrophobicContact CG2-CB 4.3Å; I271-F352 HydrophobicContact CG1-CE2 4.38Å; I271-F352 HydrophobicContact CG2-CE2 4.21Å; I271-F352 HydrophobicContact CG2-CZ 4.21Å; I271-I368 HydrophobicContact CD1-CD1 4.21Å; I271-I368 HydrophobicContact CG1-CD1 3.71Å |
| 272 | P | 94 | Very high | 81.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 155.7 | -178.7 | 27 | -35.4 | 0 | 0 | 0 | 112.1 | F352 Y371 Y407 Y408 | P272-F352 VanDerWaalsContact CD-CG 3.45Å; P272-F352 HydrophobicContact CG-CB 4.08Å; P272-F352 HydrophobicContact CG-CD1 3.55Å; P272-F352 HydrophobicContact CG-CD2 4.29Å; P272-F352 HydrophobicContact CG-CE1 4.01Å; P272-F352 HydrophobicContact CG-CG 3.71Å; P272-Y371 HydrophobicContact CB-CD2 3.97Å; P272-Y371 HydrophobicContact CB-CE2 4.02Å; P272-Y371 HydrophobicContact CG-CD2 4.2Å; P272-Y371 HydrophobicContact CG-CE2 4.21Å; P272-Y407 WeakPolarHBondContact CA-OH 3.48Å; P272-Y408 HydrophobicContact CB-CE2 4.43Å; P272-Y408 WeakPolarHBondContact CD-OH 3.36Å |
| 273 | E | 91.8 | Very high | 81.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 160.2 | 170.9 | -65.1 | -78.4 | -157.3 | 0 | 0 | 111.1 | G113 F275 R289 S341 Y407 | G113-E273 WeakPolarHBondContact CA-OE1 3.28Å; G113-E273 PolarHBondContact N-OE1 2.87Å; E273-F275 HydrophobicContact CB-CD1 4.24Å; E273-F275 HydrophobicContact CB-CD2 4.2Å; E273-F275 HydrophobicContact CB-CE1 4.16Å; E273-F275 HydrophobicContact CB-CE2 4.16Å; E273-F275 HydrophobicContact CB-CG 4.28Å; E273-F275 HydrophobicContact CB-CZ 4.13Å; E273-F275 WeakPolarHBondContact CB-O 3.37Å; E273-F275 HydrophobicContact CG-CE1 4.31Å; E273-F275 HydrophobicContact CG-CE2 4.15Å; E273-F275 HydrophobicContact CG-CZ 3.94Å; E273-F275 PolarHBondContact O-N 3.27Å; E273-R289 VanDerWaalsContact CD-NE 3.34Å; E273-R289 VanDerWaalsContact CD-NH2 3.35Å; E273-R289 IonicContact OE1-CZ 3.85Å; E273-R289 IonicContact OE1-NE 2.87Å; E273-R289 PolarHBondContact OE1-NE 3.26Å; E273-R289 IonicContact OE1-NH2 2.61Å; E273-R289 PolarHBondContact OE1-NH2 3.15Å; E273-R289 IonicContact OE2-CZ 3.25Å; E273-R289 IonicContact OE2-NE 2.79Å; E273-R289 PolarHBondContact OE2-NE 2.94Å; E273-R289 IonicContact OE2-NH2 3.96Å; E273-S341 PolarHBondContact O-OG 2.85Å; E273-Y407 HydrophobicContact CG-CE1 4.1Å; E273-Y407 PolarHBondContact N-OH 3.31Å; E273-Y407 VanDerWaalsContact N-OH 3.11Å |
| 274 | Q | 89.9 | Confident | 82.6 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -81.4 | 4.4 | 173.6 | -65.7 | 178.7 | -29.6 | 0 | 0 | 113.1 | E294 Y342 G343 | Q274-E294 VanDerWaalsContact NE2-CB 3.33Å; Q274-E294 VanDerWaalsContact NE2-N 3.13Å; Q274-Y342 VanDerWaalsContact CA-O 3.26Å; Q274-Y342 WeakPolarHBondContact CA-O 3.42Å; Q274-Y342 WeakPolarHBondContact CB-O 3.49Å; Q274-G343 CarbonylContact O-C 3.5Å; Q274-G343 WeakPolarHBondContact O-CA 3.46Å |
| 275 | F | 88.8 | Confident | 83.7 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -134.5 | 158.1 | 177.6 | 59.1 | -103.4 | 0 | 0 | 0 | 109.3 | E273 P277 M281 L286 P287 | E273-F275 HydrophobicContact CB-CD1 4.24Å; E273-F275 HydrophobicContact CB-CD2 4.2Å; E273-F275 HydrophobicContact CB-CE1 4.16Å; E273-F275 HydrophobicContact CB-CE2 4.16Å; E273-F275 HydrophobicContact CB-CG 4.28Å; E273-F275 HydrophobicContact CB-CZ 4.13Å; E273-F275 WeakPolarHBondContact CB-O 3.37Å; E273-F275 HydrophobicContact CG-CE1 4.31Å; E273-F275 HydrophobicContact CG-CE2 4.15Å; E273-F275 HydrophobicContact CG-CZ 3.94Å; E273-F275 PolarHBondContact O-N 3.27Å; F275-P277 HydrophobicContact CE2-CB 4.3Å; F275-M281 HydrophobicContact CB-CE 4.17Å; F275-M281 HydrophobicContact CD2-CE 3.15Å; F275-M281 HydrophobicContact CD2-SD 4.35Å; F275-M281 HydrophobicContact CE2-CE 3.68Å; F275-M281 HydrophobicContact CG-CE 3.88Å; F275-L286 HydrophobicContact CE2-CD2 4.37Å; F275-L286 HydrophobicContact CZ-CD2 4.11Å; F275-P287 HydrophobicContact CB-CG 4.48Å; F275-P287 HydrophobicContact CD1-CB 4Å; F275-P287 HydrophobicContact CD1-CG 3.95Å; F275-P287 HydrophobicContact CE1-CB 4.32Å; F275-P287 HydrophobicContact CE1-CG 4.32Å; F275-P287 HydrophobicContact CG-CG 4.13Å |
| 276 | W | 87 | Confident | 84.8 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | trans | -89.1 | 118.8 | 174.2 | -171.7 | -92.4 | 0 | 0 | 0 | 109.9 | D278 M281 I344 Q348 Y371 T403 P405 | W276-D278 VanDerWaalsContact C-N 3.31Å; W276-D278 PolarHBondContact NE1-OD1 3.08Å; W276-D278 PolarHBondContact O-N 2.87Å; W276-M281 WeakPolarHBondContact O-CE 3.45Å; W276-I344 HydrophobicContact CE3-CG2 4.21Å; W276-Q348 HydrophobicContact CD2-CB 4.39Å; W276-Q348 HydrophobicContact CD2-CG 4.48Å; W276-Q348 HydrophobicContact CE3-CB 3.95Å; W276-Q348 HydrophobicContact CZ3-CB 4.16Å; W276-Y371 HydrophobicContact CH2-CE1 4.44Å; W276-Y371 AromaticContact CZ3-CE1 3.93Å; W276-Y371 HydrophobicContact CZ3-CE1 3.93Å; W276-T403 VanDerWaalsContact CH2-O 3.3Å; W276-T403 WeakPolarHBondContact CH2-O 3.27Å; W276-P405 HydrophobicContact CE3-CG 4.37Å; W276-P405 HydrophobicContact CH2-CG 4.13Å; W276-P405 HydrophobicContact CZ3-CG 3.91Å | ||
| 277 | P | 84.3 | Confident | 85.3 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | trans | -76.7 | 77.5 | -173.2 | 35 | -39.8 | 0 | 0 | 0 | 111.9 | F275 L282 P405 Y407 | F275-P277 HydrophobicContact CE2-CB 4.3Å; P277-L282 HydrophobicContact CB-CD1 4.15Å; P277-L282 HydrophobicContact CB-CD2 3.97Å; P277-L282 HydrophobicContact CB-CG 4.2Å; P277-P405 HydrophobicContact CG-CB 3.84Å; P277-Y407 HydrophobicContact CG-CD1 4.12Å; P277-Y407 HydrophobicContact CG-CE1 3.78Å | ||
| 278 | D | 82.3 | Confident | 85.5 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | trans | -69.6 | 146.4 | 171.6 | -70.5 | -41 | 0 | 0 | 0 | 111.3 | W276 E280 M281 L282 | W276-D278 VanDerWaalsContact C-N 3.31Å; W276-D278 PolarHBondContact NE1-OD1 3.08Å; W276-D278 PolarHBondContact O-N 2.87Å; D278-E280 PolarHBondContact O-N 2.92Å; D278-M281 HydrophobicContact CB-CB 4.48Å; D278-M281 PolarHBondContact O-N 3.49Å; D278-L282 WeakPolarHBondContact O-CG 3.36Å; D278-L282 PolarHBondContact O-N 2.91Å | ||
| 279 | D | 79.8 | Confident | 85.5 | Confident | 91 Ų | 91 | 44 Ų | 44 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.3 | -35.7 | -176.6 | -73.2 | -31.1 | 0 | 0 | 0 | 112.4 | A283 K406 | D279-A283 WeakPolarHBondContact O-CB 3.45Å; D279-A283 PolarHBondContact O-N 3.37Å; D279-A283 VanDerWaalsContact O-N 3.12Å; D279-K406 IonicContact OD1-NZ 3.41Å; D279-K406 PolarHBondContact OD1-NZ 3.49Å; D279-K406 IonicContact OD2-NZ 3.31Å; D279-K406 PolarHBondContact OD2-NZ 3.31Å |
| 280 | E | 80.5 | Confident | 85.4 | Confident | 173 Ų | 173 | 44.5 Ų | 44.5 | 81% | 0.808 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.8 | -39 | 175.5 | -63.2 | -176.2 | 174 | 0 | 0 | 112.5 | D278 A283 S284 | D278-E280 PolarHBondContact O-N 2.92Å; E280-A283 PolarHBondContact O-N 3.19Å; E280-S284 PolarHBondContact O-N 2.87Å; E280-S284 PolarHBondContact O-OG 3.24Å; E280-S284 VanDerWaalsContact O-OG 3.12Å |
| 281 | M | 79.4 | Confident | 85.2 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 21% | 0.207 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.5 | -38.6 | 179.4 | -173.8 | 173.5 | 62.9 | 0 | 0 | 111.2 | F275 W276 D278 A283 S284 P287 | F275-M281 HydrophobicContact CB-CE 4.17Å; F275-M281 HydrophobicContact CD2-CE 3.15Å; F275-M281 HydrophobicContact CD2-SD 4.35Å; F275-M281 HydrophobicContact CE2-CE 3.68Å; F275-M281 HydrophobicContact CG-CE 3.88Å; W276-M281 WeakPolarHBondContact O-CE 3.45Å; D278-M281 HydrophobicContact CB-CB 4.48Å; D278-M281 PolarHBondContact O-N 3.49Å; M281-A283 PolarHBondContact O-N 2.7Å; M281-S284 PolarHBondContact O-N 2.98Å; M281-S284 PolarHBondContact O-OG 2.88Å; M281-P287 HydrophobicContact CE-CG 4.45Å; M281-P287 HydrophobicContact CG-CG 4.41Å; M281-P287 HydrophobicContact SD-CG 3.53Å; M281-P287 VanDerWaalsContact SD-CG 3.53Å |
| 282 | L | 78.2 | Confident | 85.1 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -25 | 175.4 | -63.6 | 176.9 | 0 | 0 | 0 | 112.6 | P277 D278 L286 P435 L438 | P277-L282 HydrophobicContact CB-CD1 4.15Å; P277-L282 HydrophobicContact CB-CD2 3.97Å; P277-L282 HydrophobicContact CB-CG 4.2Å; D278-L282 WeakPolarHBondContact O-CG 3.36Å; D278-L282 PolarHBondContact O-N 2.91Å; L282-L286 HydrophobicContact CD2-CD2 3.61Å; L282-P435 HydrophobicContact CB-CG 3.57Å; L282-P435 HydrophobicContact CD1-CG 4.25Å; L282-L438 HydrophobicContact CB-CD2 4.47Å; L282-L438 HydrophobicContact CD2-CD2 4.11Å |
| 283 | A | 75.1 | Confident | 85.1 | Confident | 54 Ų | 54 | 45 Ų | 45 | 45% | 0.446 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -82.1 | -25.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D279 E280 M281 | D279-A283 WeakPolarHBondContact O-CB 3.45Å; D279-A283 PolarHBondContact O-N 3.37Å; D279-A283 VanDerWaalsContact O-N 3.12Å; E280-A283 PolarHBondContact O-N 3.19Å; M281-A283 PolarHBondContact O-N 2.7Å |
| 284 | S | 77 | Confident | 85.2 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 66% | 0.664 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -92.1 | -82.8 | -176.1 | 51 | 0 | 0 | 0 | 0 | 112.1 | E280 M281 | E280-S284 PolarHBondContact O-N 2.87Å; E280-S284 PolarHBondContact O-OG 3.24Å; E280-S284 VanDerWaalsContact O-OG 3.12Å; M281-S284 PolarHBondContact O-N 2.98Å; M281-S284 PolarHBondContact O-OG 2.88Å |
| 285 | Q | 79.5 | Confident | 85.4 | Confident | 127 Ų | 127 | 44.7 Ų | 44.7 | 59% | 0.593 | 25% | 0.245 | S | C | * | . | trans | -155.3 | 131.7 | 177.9 | -174.3 | 176.3 | 4.4 | 0 | 0 | 109.1 | ||||
| 286 | L | 84.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 137.5 | 176.7 | -70.7 | 179.2 | 0 | 0 | 0 | 111.2 | L160 F275 L282 L438 | L160-L286 HydrophobicContact CD2-CB 3.92Å; L160-L286 HydrophobicContact CD2-CD1 4.44Å; F275-L286 HydrophobicContact CE2-CD2 4.37Å; F275-L286 HydrophobicContact CZ-CD2 4.11Å; L282-L286 HydrophobicContact CD2-CD2 3.61Å; L286-L438 HydrophobicContact CD1-CD1 3.81Å; L286-L438 HydrophobicContact CD1-CD2 3.89Å; L286-L438 HydrophobicContact CD1-CG 4.4Å; L286-L438 HydrophobicContact CD2-CD2 3.92Å; L286-L438 HydrophobicContact CG-CD1 4.02Å; L286-L438 HydrophobicContact CG-CD2 3.9Å |
| 287 | P | 86.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 43 Ų | 43 | 29% | 0.286 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 142.1 | 167.9 | -21.5 | 32.3 | 0 | 0 | 0 | 111 | F275 M281 R289 | F275-P287 HydrophobicContact CB-CG 4.48Å; F275-P287 HydrophobicContact CD1-CB 4Å; F275-P287 HydrophobicContact CD1-CG 3.95Å; F275-P287 HydrophobicContact CE1-CB 4.32Å; F275-P287 HydrophobicContact CE1-CG 4.32Å; F275-P287 HydrophobicContact CG-CG 4.13Å; M281-P287 HydrophobicContact CE-CG 4.45Å; M281-P287 HydrophobicContact CG-CG 4.41Å; M281-P287 HydrophobicContact SD-CG 3.53Å; M281-P287 VanDerWaalsContact SD-CG 3.53Å; P287-R289 PolarHBondContact O-N 3.46Å |
| 288 | P | 87 | Confident | 86.2 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 129.3 | 178 | 27.9 | -34.4 | 0 | 0 | 0 | 110.5 | K162 | K162-P288 VanDerWaalsContact CE-O 3.28Å; K162-P288 WeakPolarHBondContact CE-O 3.39Å; K162-P288 HydrophobicContact CG-CB 3.76Å; K162-P288 HydrophobicContact CG-CG 3.9Å |
| 289 | R | 89.2 | Confident | 86.4 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -68.4 | 145.4 | 175.3 | -70.8 | -175.5 | 175.8 | 172.3 | -9.2 | 110.8 | N111 Y112 G115 L160 T161 K162 E273 P287 | N111-R289 PolarHBondContact O-NH2 3.25Å; N111-R289 PolarHBondContact OD1-NH1 3.02Å; Y112-R289 VanDerWaalsContact CA-CZ 3.5Å; Y112-R289 VanDerWaalsContact CA-NH2 3.35Å; Y112-R289 HydrophobicContact CD1-CG 4.17Å; Y112-R289 HydrophobicContact CE1-CG 4.39Å; G115-R289 PolarHBondContact O-NH2 3.29Å; L160-R289 PolarHBondContact O-N 3.27Å; T161-R289 CarbonylContact C-O 3.58Å; T161-R289 WeakPolarHBondContact CA-O 3.46Å; K162-R289 PolarHBondContact N-O 2.63Å; E273-R289 VanDerWaalsContact CD-NE 3.34Å; E273-R289 VanDerWaalsContact CD-NH2 3.35Å; E273-R289 IonicContact OE1-CZ 3.85Å; E273-R289 IonicContact OE1-NE 2.87Å; E273-R289 PolarHBondContact OE1-NE 3.26Å; E273-R289 IonicContact OE1-NH2 2.61Å; E273-R289 PolarHBondContact OE1-NH2 3.15Å; E273-R289 IonicContact OE2-CZ 3.25Å; E273-R289 IonicContact OE2-NE 2.79Å; E273-R289 PolarHBondContact OE2-NE 2.94Å; E273-R289 IonicContact OE2-NH2 3.96Å; P287-R289 PolarHBondContact O-N 3.46Å |
| 290 | S | 90.2 | Very high | 86.7 | Confident | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 138.1 | 159.6 | 170.4 | 0 | 0 | 0 | 0 | 109 | H292 | S290-H292 WeakPolarHBondContact CB-O 3.42Å; S290-H292 PolarHBondContact O-N 3.26Å; S290-H292 PolarHBondContact OG-N 2.87Å; S290-H292 PolarHBondContact OG-O 3.2Å |
| 291 | A | 90.1 | Very high | 87.2 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -59.3 | -33.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T161 E163 F165 W167 | T161-A291 HydrophobicContact CG2-CB 4.37Å; E163-A291 HydrophobicContact CB-CB 3.93Å; E163-A291 HydrophobicContact CG-CB 4.26Å; E163-A291 WeakPolarHBondContact OE2-CB 3.45Å; E163-A291 PolarHBondContact OE2-N 3.04Å; F165-A291 HydrophobicContact CD2-CB 3.94Å; F165-A291 HydrophobicContact CE2-CB 3.73Å; F165-A291 HydrophobicContact CZ-CB 4.38Å; F165-A291 WeakPolarHBondContact O-CB 3.26Å; W167-A291 WeakPolarHBondContact CA-O 3.46Å; W167-A291 WeakPolarHBondContact CB-O 3.34Å; W167-A291 PolarHBondContact N-O 2.63Å |
| 292 | H | 93.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -107.1 | 122.8 | 174.2 | -63.5 | 169.7 | 0 | 0 | 0 | 110.4 | F165 E205 V235 K237 S290 E294 | F165-H292 AromaticContact CE2-CE1 3.8Å; F165-H292 AromaticContact CE2-NE2 3.49Å; F165-H292 WeakPolarHBondContact CE2-NE2 3.39Å; E205-H292 PolarHBondContact O-CE1 3.38Å; V235-H292 VanDerWaalsContact CG1-CE1 3.49Å; V235-H292 WeakPolarHBondContact CG1-CE1 3.49Å; K237-H292 HydrophobicContact CD-CB 4.14Å; K237-H292 HydrophobicContact CG-CB 4.01Å; S290-H292 WeakPolarHBondContact CB-O 3.42Å; S290-H292 PolarHBondContact O-N 3.26Å; S290-H292 PolarHBondContact OG-N 2.87Å; S290-H292 PolarHBondContact OG-O 3.2Å; H292-E294 PolarHBondContact O-N 2.68Å |
| 293 | P | 93.8 | Very high | 88.4 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | trans | -65 | 133.6 | 175.3 | 26.2 | -32.2 | 0 | 0 | 0 | 110.2 | I116 W167 L236 K237 I271 | I116-P293 HydrophobicContact CD1-CB 4.26Å; W167-P293 HydrophobicContact CE3-CG 4.2Å; W167-P293 HydrophobicContact CZ3-CG 4.5Å; L236-P293 HydrophobicContact CB-CG 3.94Å; K237-P293 PolarHBondContact N-O 3.36Å; I271-P293 HydrophobicContact CD1-CG 4.41Å; I271-P293 HydrophobicContact CG2-CB 4.3Å | ||
| 294 | E | 93.4 | Very high | 89.1 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.6 | 179.7 | -69.4 | 169.9 | 178.5 | 0 | 0 | 109.8 | K237 F253 Q274 H292 Y342 | K237-E294 HydrophobicContact CB-CB 4.47Å; K237-E294 HydrophobicContact CB-CG 3.76Å; K237-E294 HydrophobicContact CD-CG 3.66Å; K237-E294 WeakPolarHBondContact CD-OE1 3.36Å; K237-E294 HydrophobicContact CG-CG 4.36Å; K237-E294 IonicContact NZ-OE1 2.77Å; K237-E294 PolarHBondContact NZ-OE1 3.07Å; K237-E294 VanDerWaalsContact NZ-OE1 3.1Å; K237-E294 WeakPolarHBondContact O-CA 3.47Å; F253-E294 HydrophobicContact CD1-CB 4.32Å; F253-E294 HydrophobicContact CD1-CG 4.23Å; F253-E294 HydrophobicContact CE1-CB 3.71Å; F253-E294 HydrophobicContact CE1-CG 4.05Å; F253-E294 HydrophobicContact CZ-CB 4.01Å; F253-E294 HydrophobicContact CZ-CG 4.28Å; Q274-E294 VanDerWaalsContact NE2-CB 3.33Å; Q274-E294 VanDerWaalsContact NE2-N 3.13Å; H292-E294 PolarHBondContact O-N 2.68Å; E294-Y342 HydrophobicContact CB-CD1 4.22Å; E294-Y342 HydrophobicContact CB-CG 4.22Å; E294-Y342 WeakPolarHBondContact O-CB 3.37Å; E294-Y342 PolarHBondContact O-N 3.28Å; E294-Y342 WeakPolarHBondContact OE2-CD1 3.4Å; E294-Y342 WeakPolarHBondContact OE2-CE1 3.36Å |
| 295 | V | 93.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.9 | -175 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | K237 L238 R239 C339 F352 | K237-V295 PolarHBondContact O-N 3.12Å; L238-V295 HydrophobicContact CD2-CB 3.88Å; L238-V295 HydrophobicContact CD2-CG1 4.22Å; R239-V295 PolarHBondContact N-O 3.24Å; R239-V295 VanDerWaalsContact N-O 3.08Å; V295-C339 HydrophobicContact CG1-CB 3.72Å; V295-F352 HydrophobicContact CB-CZ 4.49Å; V295-F352 HydrophobicContact CG1-CE1 4.06Å; V295-F352 HydrophobicContact CG1-CZ 3.78Å; V295-F352 HydrophobicContact CG2-CZ 3.9Å |
| 296 | L | 93.5 | Very high | 90 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.2 | 172.9 | -64.8 | 176.6 | 0 | 0 | 0 | 109.5 | R239 F253 C339 F340 Y342 | R239-L296 HydrophobicContact CB-CD2 4.2Å; R239-L296 HydrophobicContact CG-CD2 4.37Å; R239-L296 CarbonylContact O-C 3.58Å; R239-L296 WeakPolarHBondContact O-CA 3.42Å; F253-L296 HydrophobicContact CE1-CD2 4.49Å; F253-L296 HydrophobicContact CZ-CD2 4.4Å; L296-C339 CarbonylContact O-C 3.57Å; L296-C339 WeakPolarHBondContact O-CA 3.39Å; L296-F340 HydrophobicContact CB-CB 4.23Å; L296-F340 PolarHBondContact N-O 3.02Å; L296-F340 PolarHBondContact O-N 3.39Å; L296-Y342 HydrophobicContact CD1-CD2 4.04Å; L296-Y342 HydrophobicContact CD2-CD2 3.98Å; L296-Y342 HydrophobicContact CG-CD2 4.07Å |
| 297 | V | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.4 | 177.2 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | L238 R239 R240 S241 F327 W337 L355 | L238-V297 HydrophobicContact CD2-CG2 4.11Å; R239-V297 PolarHBondContact O-N 3.45Å; R240-V297 CarbonylContact C-O 3.45Å; R240-V297 WeakPolarHBondContact CA-O 3.41Å; S241-V297 PolarHBondContact N-O 3.4Å; V297-F327 HydrophobicContact CB-CZ 4.41Å; V297-F327 HydrophobicContact CG1-CE1 4.09Å; V297-F327 HydrophobicContact CG1-CZ 3.76Å; V297-W337 HydrophobicContact CG1-CB 3.66Å; V297-W337 HydrophobicContact CG1-CG 4.48Å; V297-L355 HydrophobicContact CG1-CD1 3.96Å; V297-L355 HydrophobicContact CG2-CD1 3.94Å |
| 298 | S | 91.3 | Very high | 89.9 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | trans | -58.2 | 145 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 112 | R338 | S298-R338 PolarHBondContact N-O 3.39Å; S298-R338 WeakPolarHBondContact OG-CA 3.45Å; S298-R338 PolarHBondContact OG-N 2.95Å; S298-R338 PolarHBondContact OG-O 2.96Å; S298-R338 VanDerWaalsContact OG-O 3.06Å | ||
| 299 | K | 84.8 | Confident | 89.4 | Confident | 92 Ų | 92 | 48 Ų | 48 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -74.7 | -37.6 | 172.8 | -79.3 | 178.9 | 170.4 | -176.3 | 0 | 112.1 | R240 S241 P301 | R240-K299 HydrophobicContact CB-CG 4.41Å; S241-K299 WeakPolarHBondContact O-CD 3.3Å; S241-K299 WeakPolarHBondContact O-CE 3.29Å; S241-K299 WeakPolarHBondContact O-CG 3.15Å; K299-P301 WeakPolarHBondContact O-CD 3.35Å |
| 300 | V | 87.1 | Confident | 88.9 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 61% | 0.606 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -86 | 119.2 | -175 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 301 | P | 90.2 | Very high | 88.7 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 34% | 0.338 | 29% | 0.289 | S | S | . | . | trans | -66 | 146.8 | 170.7 | 26.8 | -31 | 0 | 0 | 0 | 110.4 | K299 M335 V336 | K299-P301 WeakPolarHBondContact O-CD 3.35Å; P301-M335 HydrophobicContact CB-CB 3.99Å; P301-M335 HydrophobicContact CB-CG 4.45Å; P301-V336 WeakPolarHBondContact CA-O 3.27Å | ||
| 302 | V | 91.4 | Very high | 88.5 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.4 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | E304 V336 | V302-E304 PolarHBondContact O-N 2.93Å; V302-V336 PolarHBondContact N-O 3.37Å; V302-V336 WeakPolarHBondContact O-CG2 3.45Å; V302-V336 PolarHBondContact O-N 3.08Å |
| 303 | A | 91.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 137.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 304 | E | 90.6 | Very high | 88.1 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 131.3 | 175.1 | -173.2 | 172.1 | -169.9 | 0 | 0 | 110.4 | V302 N334 V336 K356 | V302-E304 PolarHBondContact O-N 2.93Å; E304-N334 PolarHBondContact N-O 3.14Å; E304-V336 HydrophobicContact CB-CG1 3.95Å; E304-V336 HydrophobicContact CG-CG1 4.07Å; E304-K356 WeakPolarHBondContact OE1-CD 3.31Å; E304-K356 IonicContact OE1-NZ 2.76Å; E304-K356 PolarHBondContact OE1-NZ 3.16Å; E304-K356 WeakPolarHBondContact OE2-CE 3.5Å; E304-K356 IonicContact OE2-NZ 2.69Å; E304-K356 PolarHBondContact OE2-NZ 2.82Å |
| 305 | P | 89.3 | Confident | 88.1 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.2 | 178.2 | 28.4 | -35.3 | 0 | 0 | 0 | 111.5 | L307 Y354 Y373 L377 | P305-L307 PolarHBondContact O-N 3.08Å; P305-Y354 HydrophobicContact CG-CD1 4.26Å; P305-Y354 HydrophobicContact CG-CE1 3.5Å; P305-Y354 VanDerWaalsContact CG-CE1 3.5Å; P305-Y373 HydrophobicContact CB-CD2 4.5Å; P305-Y373 HydrophobicContact CB-CE2 4.07Å; P305-Y373 HydrophobicContact CG-CD2 4.36Å; P305-Y373 HydrophobicContact CG-CE2 3.78Å; P305-L377 HydrophobicContact CB-CD1 3.65Å; P305-L377 HydrophobicContact CG-CD1 4.36Å |
| 306 | E | 86.5 | Confident | 88 | Confident | 185 Ų | 185 | 65 Ų | 65 | 86% | 0.864 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 122.9 | 172 | -63.7 | -177 | 175.6 | 0 | 0 | 109.9 | ||
| 307 | L | 85.8 | Confident | 88 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | trans | -116.6 | 135.2 | -175.9 | -64 | 174.1 | 0 | 0 | 0 | 110.3 | P305 F311 V313 L369 L377 | P305-L307 PolarHBondContact O-N 3.08Å; L307-F311 HydrophobicContact CD2-CD1 4.19Å; L307-V313 HydrophobicContact CD1-CG2 3.61Å; L307-L369 HydrophobicContact CD1-CD2 4.33Å; L307-L369 HydrophobicContact CD2-CD2 4.33Å; L307-L377 HydrophobicContact CD2-CD1 3.52Å; L307-L377 HydrophobicContact CD2-CD2 3.54Å; L307-L377 HydrophobicContact CD2-CG 4.18Å | ||
| 308 | P | 82.9 | Confident | 88.1 | Confident | 48 Ų | 48 | 67 Ų | 67 | 31% | 0.312 | 34% | 0.335 | S | S | . | . | trans | -59.4 | 148.8 | 174.9 | -24.4 | 33.9 | 0 | 0 | 0 | 113 | Y310 F311 L380 | P308-Y310 PolarHBondContact O-N 3.38Å; P308-F311 HydrophobicContact CB-CB 4.29Å; P308-F311 WeakPolarHBondContact O-CB 3.33Å; P308-F311 PolarHBondContact O-N 2.92Å; P308-L380 HydrophobicContact CG-CD2 3.84Å; P308-L380 HydrophobicContact CG-CG 4.42Å | ||
| 309 | E | 75.8 | Confident | 88.1 | Confident | 173 Ų | 173 | 68.1 Ų | 68.1 | 81% | 0.808 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.4 | -171.8 | -166.7 | 175.2 | 175.8 | 0 | 0 | 114.3 | ||
| 310 | Y | 78.8 | Confident | 88.3 | Confident | 173 Ų | 173 | 68.5 Ų | 68.5 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 6.7 | -179.9 | -54.3 | -65.4 | 0 | 0 | 0 | 114.2 | P308 | P308-Y310 PolarHBondContact O-N 3.38Š|
| 311 | F | 86.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | trans | -69.2 | 127.7 | -179.5 | -172.5 | -98.5 | 0 | 0 | 0 | 110.7 | W269 L307 P308 V313 L369 P370 F376 L380 I419 | W269-F311 HydrophobicContact CH2-CZ 4.34Å; W269-F311 HydrophobicContact CZ2-CE1 4.25Å; W269-F311 HydrophobicContact CZ2-CE2 4.03Å; W269-F311 AromaticContact CZ2-CZ 3.48Å; W269-F311 HydrophobicContact CZ2-CZ 3.48Å; W269-F311 VanDerWaalsContact CZ2-CZ 3.48Å; L307-F311 HydrophobicContact CD2-CD1 4.19Å; P308-F311 HydrophobicContact CB-CB 4.29Å; P308-F311 WeakPolarHBondContact O-CB 3.33Å; P308-F311 PolarHBondContact O-N 2.92Å; F311-V313 HydrophobicContact CD1-CG2 3.81Å; F311-V313 HydrophobicContact CE1-CG2 4.39Å; F311-V313 PolarHBondContact O-N 3.08Å; F311-L369 HydrophobicContact CD1-CD2 4.31Å; F311-L369 HydrophobicContact CE1-CD2 3.63Å; F311-P370 HydrophobicContact CZ-CG 3.75Å; F311-F376 AromaticContact CE2-CE1 3.68Å; F311-F376 HydrophobicContact CE2-CE1 3.68Å; F311-F376 HydrophobicContact CE2-CZ 4.42Å; F311-F376 HydrophobicContact CZ-CE1 4.02Å; F311-L380 HydrophobicContact CD2-CD2 3.91Å; F311-L380 HydrophobicContact CE2-CD2 4.25Å; F311-I419 HydrophobicContact CD2-CD1 4.03Å | ||
| 312 | P | 86.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | trans | -71.2 | 117 | -179.8 | 28.1 | -33.1 | 0 | 0 | 0 | 110.7 | W269 | W269-P312 HydrophobicContact CZ2-CG 4.04Å; W269-P312 PolarHBondContact NE1-O 3.28Å | ||
| 313 | V | 87.8 | Confident | 87.9 | Confident | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -118.5 | 122.3 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | L307 F311 R315 H367 L369 | L307-V313 HydrophobicContact CD1-CG2 3.61Å; F311-V313 HydrophobicContact CD1-CG2 3.81Å; F311-V313 HydrophobicContact CE1-CG2 4.39Å; F311-V313 PolarHBondContact O-N 3.08Å; V313-R315 HydrophobicContact CG1-CG 4.06Å; V313-H367 HydrophobicContact CG1-CB 4.34Å; V313-L369 HydrophobicContact CG1-CD2 4.25Å; V313-L369 HydrophobicContact CG2-CD2 4.16Å | ||
| 314 | D | 90.7 | Very high | 87.8 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.9 | 173.1 | -62.6 | -26.8 | 0 | 0 | 0 | 108.8 | S267 S268 W269 Y316 H367 I368 | S267-D314 WeakPolarHBondContact CA-OD2 3.14Å; S268-D314 WeakPolarHBondContact CA-OD2 3.35Å; S268-D314 VanDerWaalsContact N-CG 3.28Å; S268-D314 PolarHBondContact N-OD1 3.06Å; S268-D314 VanDerWaalsContact N-OD1 3.08Å; S268-D314 PolarHBondContact N-OD2 2.95Å; S268-D314 PolarHBondContact OG-OD1 3.35Å; W269-D314 PolarHBondContact N-OD2 3.31Å; D314-Y316 HydrophobicContact CB-CE2 3.62Å; D314-H367 WeakPolarHBondContact O-CA 3.37Å; D314-I368 HydrophobicContact CB-CB 4.36Å; D314-I368 PolarHBondContact O-N 3.12Å |
| 315 | R | 92 | Very high | 87.7 | Confident | 168 Ų | 168 | 69.2 Ų | 69.2 | 63% | 0.634 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.1 | -177.2 | -56.1 | 179.8 | -171.9 | 167.3 | 0.3 | 109.3 | V313 | V313-R315 HydrophobicContact CG1-CG 4.06Å |
| 316 | Y | 93.4 | Very high | 87.5 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.4 | -179.3 | -58.3 | -73.4 | 0 | 0 | 0 | 111.7 | P118 M258 V260 S267 D314 H365 L366 I368 | P118-Y316 HydrophobicContact CB-CE1 3.96Å; P118-Y316 HydrophobicContact CB-CE2 3.96Å; P118-Y316 HydrophobicContact CG-CE2 3.85Å; M258-Y316 HydrophobicContact CE-CD2 4.25Å; M258-Y316 HydrophobicContact CE-CG 4.13Å; M258-Y316 VanDerWaalsContact CG-CB 3.4Å; M258-Y316 HydrophobicContact CG-CG 4.17Å; M258-Y316 WeakPolarHBondContact SD-CB 3Å; M258-Y316 HydrophobicContact SD-CD2 3.96Å; M258-Y316 HydrophobicContact SD-CG 3.73Å; V260-Y316 HydrophobicContact CG1-CE1 4.12Å; V260-Y316 HydrophobicContact CG2-CD1 4.32Å; V260-Y316 HydrophobicContact CG2-CE1 4.49Å; S267-Y316 WeakPolarHBondContact CB-OH 3.36Å; D314-Y316 HydrophobicContact CB-CE2 3.62Å; Y316-H365 CarbonylContact O-C 3.55Å; Y316-H365 VanDerWaalsContact O-CA 3.27Å; Y316-H365 WeakPolarHBondContact O-CA 2.95Å; Y316-L366 PolarHBondContact N-O 3.36Å; Y316-L366 PolarHBondContact O-N 2.87Å; Y316-I368 HydrophobicContact CD2-CD1 3.81Å; Y316-I368 HydrophobicContact CD2-CG1 4.06Å; Y316-I368 HydrophobicContact CE2-CD1 3.58Å; Y316-I368 HydrophobicContact CE2-CG1 4.04Å |
| 317 | E | 93.4 | Very high | 87.5 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.8 | -178.3 | -173.2 | -174.3 | 167.8 | 0 | 0 | 110.6 | S259 K261 | S259-E317 WeakPolarHBondContact CB-O 3.23Å; S259-E317 PolarHBondContact N-O 3.21Å; K261-E317 IonicContact NZ-OE2 3.07Å; K261-E317 PolarHBondContact NZ-OE2 3Å |
| 318 | L | 93.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.4 | 175.1 | -57.4 | -177.6 | 0 | 0 | 0 | 110.4 | L238 Q256 M258 T324 L355 V364 L366 | L238-L318 HydrophobicContact CD1-CD1 4.13Å; Q256-L318 HydrophobicContact CG-CB 4.23Å; Q256-L318 HydrophobicContact CG-CD1 4.21Å; Q256-L318 HydrophobicContact CG-CD2 4.02Å; Q256-L318 HydrophobicContact CG-CG 4.38Å; M258-L318 HydrophobicContact CB-CD2 3.85Å; M258-L318 HydrophobicContact CG-CD2 3.96Å; M258-L318 HydrophobicContact SD-CD2 4.46Å; L318-T324 HydrophobicContact CB-CG2 4.04Å; L318-T324 HydrophobicContact CD1-CG2 4.49Å; L318-L355 HydrophobicContact CD1-CD2 3.73Å; L318-V364 WeakPolarHBondContact CB-O 3.41Å; L318-V364 HydrophobicContact CD1-CB 4.47Å; L318-V364 HydrophobicContact CD1-CG1 4.13Å; L318-V364 PolarHBondContact N-O 3.42Å; L318-L366 HydrophobicContact CD2-CB 4.35Å |
| 319 | T | 91.1 | Very high | 87.6 | Confident | 39 Ų | 39 | 67 Ų | 67 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 140.8 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | Q256 L257 S321 | Q256-T319 PolarHBondContact NE2-O 3.29Å; L257-T319 WeakPolarHBondContact CB-OG1 2.99Å; L257-T319 WeakPolarHBondContact CG-OG1 3.48Å; L257-T319 WeakPolarHBondContact O-CB 3.38Å; L257-T319 PolarHBondContact O-N 2.82Å; L257-T319 PolarHBondContact O-OG1 2.87Å; T319-S321 PolarHBondContact O-N 2.88Å |
| 320 | P | 89.8 | Confident | 87.8 | Confident | 101 Ų | 101 | 62 Ų | 62 | 66% | 0.656 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 125.8 | 178 | -27.3 | 35.3 | 0 | 0 | 0 | 113 | ||
| 321 | S | 87.1 | Confident | 87.5 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -142.9 | 173.9 | 176.5 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | Q256 T319 L323 T324 K325 | Q256-S321 VanDerWaalsContact OE1-CB 3.3Å; Q256-S321 PolarHBondContact OE1-OG 2.83Å; T319-S321 PolarHBondContact O-N 2.88Å; S321-L323 PolarHBondContact O-N 2.87Å; S321-L323 PolarHBondContact OG-N 3.31Å; S321-T324 PolarHBondContact N-OG1 3.31Å; S321-T324 PolarHBondContact O-N 3.39Å; S321-T324 PolarHBondContact O-OG1 3.48Å; S321-T324 PolarHBondContact OG-N 2.8Å; S321-K325 WeakPolarHBondContact O-CG 3.43Å; S321-K325 PolarHBondContact O-N 3Å | ||
| 322 | H | 86.9 | Confident | 86.8 | Confident | 154 Ų | 154 | 60.7 Ų | 60.7 | 71% | 0.713 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.9 | -40.5 | 173 | -75.9 | -85.1 | 0 | 0 | 0 | 111.6 | K325 E326 | H322-K325 WeakPolarHBondContact O-CB 3.43Å; H322-K325 PolarHBondContact O-N 2.89Å; H322-E326 PolarHBondContact O-N 3.3Å; H322-E326 VanDerWaalsContact O-N 3.14Å |
| 323 | L | 86.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 178.3 | -177.5 | 72.2 | 0 | 0 | 0 | 111.9 | L238 V254 S321 K325 E326 F327 | L238-L323 HydrophobicContact CB-CD2 3.54Å; L238-L323 HydrophobicContact CD1-CD2 3.59Å; L238-L323 HydrophobicContact CG-CD2 4.15Å; V254-L323 HydrophobicContact CB-CD2 4.44Å; S321-L323 PolarHBondContact O-N 2.87Å; S321-L323 PolarHBondContact OG-N 3.31Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 3.43Å; L323-E326 PolarHBondContact O-N 3.05Å; L323-F327 HydrophobicContact CD1-CE2 3.81Å; L323-F327 HydrophobicContact CD1-CZ 4.36Å; L323-F327 HydrophobicContact CD2-CE2 4.25Å; L323-F327 HydrophobicContact CG-CD2 4.23Å; L323-F327 HydrophobicContact CG-CE2 3.7Å; L323-F327 WeakPolarHBondContact O-CD2 3.44Å; L323-F327 PolarHBondContact O-N 3.39Å |
| 324 | T | 88.5 | Confident | 85.9 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 178 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | L318 S321 E326 F327 L328 V364 | L318-T324 HydrophobicContact CB-CG2 4.04Å; L318-T324 HydrophobicContact CD1-CG2 4.49Å; S321-T324 PolarHBondContact N-OG1 3.31Å; S321-T324 PolarHBondContact O-N 3.39Å; S321-T324 PolarHBondContact O-OG1 3.48Å; S321-T324 PolarHBondContact OG-N 2.8Å; T324-E326 VanDerWaalsContact C-N 3.31Å; T324-E326 PolarHBondContact O-N 3.38Å; T324-F327 PolarHBondContact O-N 3.43Å; T324-L328 VanDerWaalsContact O-CG 3.31Å; T324-L328 WeakPolarHBondContact O-CG 3.5Å; T324-L328 PolarHBondContact O-N 2.9Å; T324-V364 HydrophobicContact CG2-CB 4.29Å; T324-V364 HydrophobicContact CG2-CG2 4.36Å |
| 325 | K | 88.1 | Confident | 85.8 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.6 | -72.9 | 176.5 | -178.9 | -177 | 0 | 112 | S321 H322 L323 F327 L328 N329 | S321-K325 WeakPolarHBondContact O-CG 3.43Å; S321-K325 PolarHBondContact O-N 3Å; H322-K325 WeakPolarHBondContact O-CB 3.43Å; H322-K325 PolarHBondContact O-N 2.89Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 3.43Å; K325-F327 VanDerWaalsContact C-N 3.34Å; K325-F327 PolarHBondContact O-N 3.48Å; K325-L328 PolarHBondContact O-N 2.94Å; K325-N329 WeakPolarHBondContact O-CB 3.44Å; K325-N329 PolarHBondContact O-N 3.47Å; K325-N329 PolarHBondContact O-ND2 3.37Å; K325-N329 PolarHBondContact O-OD1 3.45Å |
| 326 | E | 85.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.6 | -68.6 | 178 | -164.3 | 0 | 0 | 112.4 | R240 H322 L323 T324 N329 S330 | R240-E326 IonicContact CZ-OE2 2.78Å; R240-E326 IonicContact NH1-OE2 3.98Å; R240-E326 PolarHBondContact NH1-OE2 2.89Å; R240-E326 IonicContact NH2-OE2 2.69Å; R240-E326 PolarHBondContact NH2-OE2 3.36Å; H322-E326 PolarHBondContact O-N 3.3Å; H322-E326 VanDerWaalsContact O-N 3.14Å; L323-E326 PolarHBondContact O-N 3.05Å; T324-E326 VanDerWaalsContact C-N 3.31Å; T324-E326 PolarHBondContact O-N 3.38Å; E326-N329 PolarHBondContact O-N 2.89Å; E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 2.99Å; E326-S330 VanDerWaalsContact O-N 3.07Å |
| 327 | F | 86 | Confident | 85.9 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.7 | -69.5 | -62.1 | 0 | 0 | 0 | 112.7 | V297 L323 T324 K325 N329 S330 S331 W337 L355 V364 | V297-F327 HydrophobicContact CB-CZ 4.41Å; V297-F327 HydrophobicContact CG1-CE1 4.09Å; V297-F327 HydrophobicContact CG1-CZ 3.76Å; L323-F327 HydrophobicContact CD1-CE2 3.81Å; L323-F327 HydrophobicContact CD1-CZ 4.36Å; L323-F327 HydrophobicContact CD2-CE2 4.25Å; L323-F327 HydrophobicContact CG-CD2 4.23Å; L323-F327 HydrophobicContact CG-CE2 3.7Å; L323-F327 WeakPolarHBondContact O-CD2 3.44Å; L323-F327 PolarHBondContact O-N 3.39Å; T324-F327 PolarHBondContact O-N 3.43Å; K325-F327 VanDerWaalsContact C-N 3.34Å; K325-F327 PolarHBondContact O-N 3.48Å; F327-N329 VanDerWaalsContact C-N 3.3Å; F327-N329 PolarHBondContact O-N 2.96Å; F327-S330 PolarHBondContact O-N 3.49Å; F327-S331 WeakPolarHBondContact O-CB 3.37Å; F327-S331 PolarHBondContact O-N 3.33Å; F327-S331 PolarHBondContact O-OG 2.95Å; F327-W337 HydrophobicContact CB-CH2 4.32Å; F327-W337 HydrophobicContact CB-CZ3 4.23Å; F327-W337 AromaticContact CD1-CD2 3.66Å; F327-W337 HydrophobicContact CD1-CD2 3.66Å; F327-W337 AromaticContact CD1-CE2 3.77Å; F327-W337 AromaticContact CD1-CE3 3.84Å; F327-W337 HydrophobicContact CD1-CE3 3.84Å; F327-W337 HydrophobicContact CD1-CG 4.15Å; F327-W337 HydrophobicContact CD1-CH2 4.18Å; F327-W337 HydrophobicContact CD1-CZ2 4.04Å; F327-W337 HydrophobicContact CD1-CZ3 4.1Å; F327-W337 HydrophobicContact CE1-CB 4.44Å; F327-W337 AromaticContact CE1-CD2 3.94Å; F327-W337 HydrophobicContact CE1-CD2 3.94Å; F327-W337 HydrophobicContact CE1-CE3 4.44Å; F327-W337 AromaticContact CE1-CG 3.92Å; F327-W337 HydrophobicContact CE1-CG 3.92Å; F327-W337 WeakPolarHBondContact O-CH2 3.45Å; F327-L355 HydrophobicContact CD2-CD1 4.09Å; F327-L355 HydrophobicContact CE2-CD1 3.64Å; F327-L355 HydrophobicContact CZ-CD1 3.9Å; F327-V364 HydrophobicContact CB-CG2 4.22Å |
| 328 | L | 88.1 | Confident | 86 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65 | -32.9 | 175.1 | -68 | 173 | 0 | 0 | 0 | 112.6 | T324 K325 S331 A357 L361 V364 | T324-L328 VanDerWaalsContact O-CG 3.31Å; T324-L328 WeakPolarHBondContact O-CG 3.5Å; T324-L328 PolarHBondContact O-N 2.9Å; K325-L328 PolarHBondContact O-N 2.94Å; L328-S331 PolarHBondContact O-OG 3.24Å; L328-A357 HydrophobicContact CD2-CB 3.97Å; L328-L361 HydrophobicContact CD2-CB 4.49Å; L328-L361 WeakPolarHBondContact CD2-O 3.46Å; L328-V364 HydrophobicContact CD1-CG2 4.45Å; L328-V364 HydrophobicContact CD2-CG2 3.77Å; L328-V364 HydrophobicContact CG-CG2 3.77Å |
| 329 | N | 84.3 | Confident | 86 | Confident | 144 Ų | 144 | 65.1 Ų | 65.1 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -78.5 | -28.6 | 177.9 | -68.2 | -13.8 | 0 | 0 | 0 | 112.9 | K325 E326 F327 | K325-N329 WeakPolarHBondContact O-CB 3.44Å; K325-N329 PolarHBondContact O-N 3.47Å; K325-N329 PolarHBondContact O-ND2 3.37Å; K325-N329 PolarHBondContact O-OD1 3.45Å; E326-N329 PolarHBondContact O-N 2.89Å; F327-N329 VanDerWaalsContact C-N 3.3Å; F327-N329 PolarHBondContact O-N 2.96Å |
| 330 | S | 79.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -93.5 | -4.5 | -179 | -175.8 | 0 | 0 | 0 | 0 | 113.3 | E326 F327 E332 | E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 2.99Å; E326-S330 VanDerWaalsContact O-N 3.07Å; F327-S330 PolarHBondContact O-N 3.49Å; S330-E332 PolarHBondContact O-N 3.46Å |
| 331 | S | 71.9 | Confident | 86.3 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | trans | -78.4 | 107.8 | -173.6 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | F327 L328 L361 | F327-S331 WeakPolarHBondContact O-CB 3.37Å; F327-S331 PolarHBondContact O-N 3.33Å; F327-S331 PolarHBondContact O-OG 2.95Å; L328-S331 PolarHBondContact O-OG 3.24Å; S331-L361 VanDerWaalsContact OG-CD2 3.26Å; S331-L361 WeakPolarHBondContact OG-CD2 3.33Å | ||
| 332 | E | 73.2 | Confident | 86.4 | Confident | 138 Ų | 138 | 64.1 Ų | 64.1 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | trans | -75.5 | 149.3 | 155.8 | -64.5 | 179.9 | 176.3 | 0 | 0 | 109.5 | S330 N334 M335 | S330-E332 PolarHBondContact O-N 3.46Å; E332-N334 PolarHBondContact O-N 3.34Å; E332-M335 HydrophobicContact CB-CB 4.44Å; E332-M335 HydrophobicContact CB-CG 4.01Å; E332-M335 PolarHBondContact O-N 2.98Å | ||
| 333 | H | 72.6 | Confident | 86.2 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 137.9 | 174.6 | -63.1 | -19.4 | 0 | 0 | 0 | 110 | M335 | H333-M335 VanDerWaalsContact C-N 3.33Å; H333-M335 PolarHBondContact O-N 3.38Å |
| 334 | N | 81.8 | Confident | 86.2 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 11.9 | -178.3 | -50.8 | -23.6 | 0 | 0 | 0 | 116.7 | E304 E332 | E304-N334 PolarHBondContact N-O 3.14Å; E332-N334 PolarHBondContact O-N 3.34Å |
| 335 | M | 89.7 | Confident | 85.9 | Confident | 59 Ų | 59 | 66 Ų | 66 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140.4 | 174.6 | -69.1 | -61.7 | 167.2 | 0 | 0 | 112 | P301 E332 H333 | P301-M335 HydrophobicContact CB-CB 3.99Å; P301-M335 HydrophobicContact CB-CG 4.45Å; E332-M335 HydrophobicContact CB-CB 4.44Å; E332-M335 HydrophobicContact CB-CG 4.01Å; E332-M335 PolarHBondContact O-N 2.98Å; H333-M335 VanDerWaalsContact C-N 3.33Å; H333-M335 PolarHBondContact O-N 3.38Å |
| 336 | V | 93 | Very high | 85.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.1 | -179.5 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | P301 V302 E304 Y354 L355 K356 | P301-V336 WeakPolarHBondContact CA-O 3.27Å; V302-V336 PolarHBondContact N-O 3.37Å; V302-V336 WeakPolarHBondContact O-CG2 3.45Å; V302-V336 PolarHBondContact O-N 3.08Å; E304-V336 HydrophobicContact CB-CG1 3.95Å; E304-V336 HydrophobicContact CG-CG1 4.07Å; V336-Y354 HydrophobicContact CB-CD2 3.58Å; V336-Y354 HydrophobicContact CB-CE2 4.22Å; V336-Y354 HydrophobicContact CB-CG 3.93Å; V336-Y354 HydrophobicContact CG1-CD2 3.62Å; V336-Y354 HydrophobicContact CG1-CE2 3.76Å; V336-Y354 HydrophobicContact CG1-CG 4.39Å; V336-Y354 HydrophobicContact CG2-CD1 4.33Å; V336-Y354 HydrophobicContact CG2-CD2 3.94Å; V336-Y354 HydrophobicContact CG2-CE2 4.48Å; V336-Y354 HydrophobicContact CG2-CG 3.85Å; V336-L355 WeakPolarHBondContact CA-O 3.26Å; V336-L355 WeakPolarHBondContact CB-O 3.45Å; V336-K356 HydrophobicContact CG1-CB 4.03Å; V336-K356 HydrophobicContact CG1-CD 4.43Å; V336-K356 HydrophobicContact CG1-CG 4.24Å |
| 337 | W | 93.7 | Very high | 84.9 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.3 | 178 | -61.2 | -93.1 | 0 | 0 | 0 | 110.7 | V297 F327 Y354 L355 | V297-W337 HydrophobicContact CG1-CB 3.66Å; V297-W337 HydrophobicContact CG1-CG 4.48Å; F327-W337 HydrophobicContact CB-CH2 4.32Å; F327-W337 HydrophobicContact CB-CZ3 4.23Å; F327-W337 AromaticContact CD1-CD2 3.66Å; F327-W337 HydrophobicContact CD1-CD2 3.66Å; F327-W337 AromaticContact CD1-CE2 3.77Å; F327-W337 AromaticContact CD1-CE3 3.84Å; F327-W337 HydrophobicContact CD1-CE3 3.84Å; F327-W337 HydrophobicContact CD1-CG 4.15Å; F327-W337 HydrophobicContact CD1-CH2 4.18Å; F327-W337 HydrophobicContact CD1-CZ2 4.04Å; F327-W337 HydrophobicContact CD1-CZ3 4.1Å; F327-W337 HydrophobicContact CE1-CB 4.44Å; F327-W337 AromaticContact CE1-CD2 3.94Å; F327-W337 HydrophobicContact CE1-CD2 3.94Å; F327-W337 HydrophobicContact CE1-CE3 4.44Å; F327-W337 AromaticContact CE1-CG 3.92Å; F327-W337 HydrophobicContact CE1-CG 3.92Å; F327-W337 WeakPolarHBondContact O-CH2 3.45Å; W337-Y354 CarbonylContact O-C 3.59Å; W337-Y354 WeakPolarHBondContact O-CA 3.42Å; W337-Y354 VanDerWaalsContact O-CB 3.29Å; W337-Y354 WeakPolarHBondContact O-CB 3.37Å; W337-L355 HydrophobicContact CB-CB 4.46Å; W337-L355 HydrophobicContact CE3-CB 4.43Å; W337-L355 PolarHBondContact N-O 3.49Å; W337-L355 PolarHBondContact O-N 3.05Å |
| 338 | R | 95 | Very high | 84.7 | Confident | 82 Ų | 82 | 73 Ų | 73 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 141.4 | 178.5 | -65.9 | 178.7 | 172.5 | 151.5 | -4.9 | 112.2 | S298 F340 P351 | S298-R338 PolarHBondContact N-O 3.39Å; S298-R338 WeakPolarHBondContact OG-CA 3.45Å; S298-R338 PolarHBondContact OG-N 2.95Å; S298-R338 PolarHBondContact OG-O 2.96Å; S298-R338 VanDerWaalsContact OG-O 3.06Å; R338-F340 HydrophobicContact CB-CE2 3.68Å; R338-F340 HydrophobicContact CB-CZ 4.05Å; R338-P351 HydrophobicContact CB-CB 4.15Å; R338-P351 HydrophobicContact CG-CB 4.41Å |
| 339 | C | 95 | Very high | 84.6 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.5 | 177.9 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | V295 L296 P351 F352 G353 L366 | V295-C339 HydrophobicContact CG1-CB 3.72Å; L296-C339 CarbonylContact O-C 3.57Å; L296-C339 WeakPolarHBondContact O-CA 3.39Å; C339-P351 VanDerWaalsContact O-CA 3.28Å; C339-P351 WeakPolarHBondContact O-CA 3.36Å; C339-F352 HydrophobicContact CB-CE1 4.18Å; C339-F352 HydrophobicContact CB-CZ 4.14Å; C339-F352 WeakPolarHBondContact O-CD1 3.29Å; C339-F352 PolarHBondContact O-N 2.85Å; C339-G353 PolarHBondContact N-O 3.22Å; C339-L366 HydrophobicContact CB-CD1 4.49Å |
| 340 | F | 94.4 | Very high | 85 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 21% | 0.211 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151 | -177.4 | -59.6 | -95.1 | 0 | 0 | 0 | 110.6 | L296 R338 P351 F352 | L296-F340 HydrophobicContact CB-CB 4.23Å; L296-F340 PolarHBondContact N-O 3.02Å; L296-F340 PolarHBondContact O-N 3.39Å; R338-F340 HydrophobicContact CB-CE2 3.68Å; R338-F340 HydrophobicContact CB-CZ 4.05Å; F340-P351 HydrophobicContact CD1-CB 4.27Å; F340-P351 HydrophobicContact CE1-CB 3.83Å; F340-P351 HydrophobicContact CE1-CG 4.22Å; F340-P351 HydrophobicContact CZ-CB 4Å; F340-P351 HydrophobicContact CZ-CG 4.5Å; F340-F352 VanDerWaalsContact C-CE1 3.45Å |
| 341 | S | 92.2 | Very high | 85.7 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 139.6 | 175.7 | -160.6 | 0 | 0 | 0 | 0 | 109.9 | E273 N349 | E273-S341 PolarHBondContact O-OG 2.85Å; S341-N349 PolarHBondContact N-OD1 3.33Å; S341-N349 PolarHBondContact O-ND2 3.16Å |
| 342 | Y | 89.1 | Confident | 86.8 | Confident | 95 Ų | 95 | 63.1 Ų | 63.1 | 37% | 0.373 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -79 | 146.1 | 168.8 | -175.2 | -106.2 | 0 | 0 | 0 | 110.9 | F253 Q274 E294 L296 I344 | F253-Y342 HydrophobicContact CE2-CE2 4.48Å; F253-Y342 HydrophobicContact CZ-CD1 4.29Å; F253-Y342 AromaticContact CZ-CD2 3.84Å; F253-Y342 HydrophobicContact CZ-CD2 3.84Å; F253-Y342 HydrophobicContact CZ-CE2 4.11Å; F253-Y342 AromaticContact CZ-CG 3.93Å; F253-Y342 HydrophobicContact CZ-CG 3.93Å; Q274-Y342 VanDerWaalsContact CA-O 3.26Å; Q274-Y342 WeakPolarHBondContact CA-O 3.42Å; Q274-Y342 WeakPolarHBondContact CB-O 3.49Å; E294-Y342 HydrophobicContact CB-CD1 4.22Å; E294-Y342 HydrophobicContact CB-CG 4.22Å; E294-Y342 WeakPolarHBondContact O-CB 3.37Å; E294-Y342 PolarHBondContact O-N 3.28Å; E294-Y342 WeakPolarHBondContact OE2-CD1 3.4Å; E294-Y342 WeakPolarHBondContact OE2-CE1 3.36Å; L296-Y342 HydrophobicContact CD1-CD2 4.04Å; L296-Y342 HydrophobicContact CD2-CD2 3.98Å; L296-Y342 HydrophobicContact CG-CD2 4.07Å; Y342-I344 PolarHBondContact O-N 3.05Å |
| 343 | G | 83.5 | Confident | 87.9 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 92.3 | -20.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q274 | Q274-G343 CarbonylContact O-C 3.5Å; Q274-G343 WeakPolarHBondContact O-CA 3.46Å |
| 344 | I | 84.6 | Confident | 89 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -74.3 | 138.1 | 174.4 | -56.6 | -178.1 | 0 | 0 | 0 | 110.1 | W276 Y342 K346 Q348 N349 Y371 | W276-I344 HydrophobicContact CE3-CG2 4.21Å; Y342-I344 PolarHBondContact O-N 3.05Å; I344-K346 PolarHBondContact O-N 3.33Å; I344-Q348 HydrophobicContact CG2-CB 3.77Å; I344-N349 HydrophobicContact CB-CB 4.27Å; I344-N349 HydrophobicContact CG2-CB 4.12Å; I344-Y371 HydrophobicContact CD1-CE2 4.36Å |
| 345 | K | 82.3 | Confident | 89.6 | Confident | 152 Ų | 152 | 44 Ų | 44 | 66% | 0.661 | 23% | 0.225 | S | C | * | . | trans | -54.3 | 137.6 | 175.4 | -67.9 | 178.3 | -177.7 | 171.7 | 0 | 110 | S347 Q348 N349 | K345-S347 PolarHBondContact O-N 3.2Å; K345-Q348 PolarHBondContact O-N 2.71Å; K345-N349 PolarHBondContact O-N 3.28Å | ||
| 346 | K | 76.3 | Confident | 89.8 | Confident | 184 Ų | 184 | 43.3 Ų | 43.3 | 80% | 0.8 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.1 | -178 | -72.1 | -171.4 | 175.8 | -171.7 | 0 | 113.6 | I344 Q348 | I344-K346 PolarHBondContact O-N 3.33Å; K346-Q348 VanDerWaalsContact C-N 3.32Å; K346-Q348 PolarHBondContact O-N 3.32Å |
| 347 | S | 78.1 | Confident | 89.7 | Confident | 112 Ų | 112 | 43.9 Ų | 43.9 | 78% | 0.783 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.4 | 178.1 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | K345 | K345-S347 PolarHBondContact O-N 3.2Š|
| 348 | Q | 80.2 | Confident | 89.6 | Confident | 60 Ų | 60 | 45 Ų | 45 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -13.4 | -179.3 | -69.3 | 172.4 | -29.2 | 0 | 0 | 112.2 | W276 I344 K345 K346 A350 Y371 | W276-Q348 HydrophobicContact CD2-CB 4.39Å; W276-Q348 HydrophobicContact CD2-CG 4.48Å; W276-Q348 HydrophobicContact CE3-CB 3.95Å; W276-Q348 HydrophobicContact CZ3-CB 4.16Å; I344-Q348 HydrophobicContact CG2-CB 3.77Å; K345-Q348 PolarHBondContact O-N 2.71Å; K346-Q348 VanDerWaalsContact C-N 3.32Å; K346-Q348 PolarHBondContact O-N 3.32Å; Q348-A350 PolarHBondContact O-N 3.01Å; Q348-Y371 PolarHBondContact O-OH 3.14Å |
| 349 | N | 87 | Confident | 89.2 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 17% | 0.171 | 26% | 0.255 | C | S | . | . | trans | -77.4 | 117 | -174.3 | -159 | -2.3 | 0 | 0 | 0 | 110.3 | S341 I344 K345 Y371 | S341-N349 PolarHBondContact N-OD1 3.33Å; S341-N349 PolarHBondContact O-ND2 3.16Å; I344-N349 HydrophobicContact CB-CB 4.27Å; I344-N349 HydrophobicContact CG2-CB 4.12Å; K345-N349 PolarHBondContact O-N 3.28Å; N349-Y371 WeakPolarHBondContact CA-OH 3.28Å | ||
| 350 | A | 92.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 52 Ų | 52 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | trans | -127.2 | 155.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q348 F352 Y371 N372 | Q348-A350 PolarHBondContact O-N 3.01Å; A350-F352 PolarHBondContact O-N 2.92Å; A350-Y371 HydrophobicContact CB-CD1 4.16Å; A350-Y371 HydrophobicContact CB-CE1 3.63Å; A350-Y371 PolarHBondContact N-OH 3.17Å; A350-Y371 VanDerWaalsContact N-OH 3.13Å; A350-N372 HydrophobicContact CB-CB 3.52Å | ||
| 351 | P | 94.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 8% | 0.078 | 29% | 0.285 | C | S | . | . | trans | -71.7 | 133.1 | -176.5 | 31.7 | -35.1 | 0 | 0 | 0 | 110 | R338 C339 F340 N372 Y373 P374 | R338-P351 HydrophobicContact CB-CB 4.15Å; R338-P351 HydrophobicContact CG-CB 4.41Å; C339-P351 VanDerWaalsContact O-CA 3.28Å; C339-P351 WeakPolarHBondContact O-CA 3.36Å; F340-P351 HydrophobicContact CD1-CB 4.27Å; F340-P351 HydrophobicContact CE1-CB 3.83Å; F340-P351 HydrophobicContact CE1-CG 4.22Å; F340-P351 HydrophobicContact CZ-CB 4Å; F340-P351 HydrophobicContact CZ-CG 4.5Å; P351-N372 WeakPolarHBondContact O-CA 3.5Å; P351-N372 PolarHBondContact O-N 3.09Å; P351-Y373 HydrophobicContact CB-CD1 4.34Å; P351-Y373 HydrophobicContact CB-CE1 3.77Å; P351-Y373 HydrophobicContact CG-CD1 4.38Å; P351-Y373 HydrophobicContact CG-CE1 4.02Å; P351-Y373 WeakPolarHBondContact O-CD1 3.49Å; P351-Y373 PolarHBondContact O-N 3.41Å; P351-P374 HydrophobicContact CG-CG 3.76Å | ||
| 352 | F | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -109 | -2.7 | 179.2 | 72.3 | -92.8 | 0 | 0 | 0 | 112.5 | I271 P272 V295 C339 F340 A350 I368 L369 Y371 | I271-F352 HydrophobicContact CG1-CE2 4.38Å; I271-F352 HydrophobicContact CG2-CE2 4.21Å; I271-F352 HydrophobicContact CG2-CZ 4.21Å; P272-F352 VanDerWaalsContact CD-CG 3.45Å; P272-F352 HydrophobicContact CG-CB 4.08Å; P272-F352 HydrophobicContact CG-CD1 3.55Å; P272-F352 HydrophobicContact CG-CD2 4.29Å; P272-F352 HydrophobicContact CG-CE1 4.01Å; P272-F352 HydrophobicContact CG-CG 3.71Å; V295-F352 HydrophobicContact CB-CZ 4.49Å; V295-F352 HydrophobicContact CG1-CE1 4.06Å; V295-F352 HydrophobicContact CG1-CZ 3.78Å; V295-F352 HydrophobicContact CG2-CZ 3.9Å; C339-F352 HydrophobicContact CB-CE1 4.18Å; C339-F352 HydrophobicContact CB-CZ 4.14Å; C339-F352 WeakPolarHBondContact O-CD1 3.29Å; C339-F352 PolarHBondContact O-N 2.85Å; F340-F352 VanDerWaalsContact C-CE1 3.45Å; A350-F352 PolarHBondContact O-N 2.92Å; F352-I368 HydrophobicContact CD2-CG2 4.28Å; F352-L369 CarbonylContact O-C 3.57Å; F352-L369 WeakPolarHBondContact O-CA 3.18Å; F352-L369 PolarHBondContact O-N 2.93Å; F352-Y371 HydrophobicContact CB-CD2 4.13Å | ||
| 353 | G | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -174 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C339 H367 | C339-G353 PolarHBondContact N-O 3.22Å; G353-H367 CarbonylContact C-O 3.42Å; G353-H367 WeakPolarHBondContact CA-O 3.36Å |
| 354 | Y | 95.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.8 | 176 | 55.5 | -100.7 | 0 | 0 | 0 | 112.2 | P305 V336 W337 K356 H367 L369 Y373 | P305-Y354 HydrophobicContact CG-CD1 4.26Å; P305-Y354 HydrophobicContact CG-CE1 3.5Å; P305-Y354 VanDerWaalsContact CG-CE1 3.5Å; V336-Y354 HydrophobicContact CB-CD2 3.58Å; V336-Y354 HydrophobicContact CB-CE2 4.22Å; V336-Y354 HydrophobicContact CB-CG 3.93Å; V336-Y354 HydrophobicContact CG1-CD2 3.62Å; V336-Y354 HydrophobicContact CG1-CE2 3.76Å; V336-Y354 HydrophobicContact CG1-CG 4.39Å; V336-Y354 HydrophobicContact CG2-CD1 4.33Å; V336-Y354 HydrophobicContact CG2-CD2 3.94Å; V336-Y354 HydrophobicContact CG2-CE2 4.48Å; V336-Y354 HydrophobicContact CG2-CG 3.85Å; W337-Y354 CarbonylContact O-C 3.59Å; W337-Y354 WeakPolarHBondContact O-CA 3.42Å; W337-Y354 VanDerWaalsContact O-CB 3.29Å; W337-Y354 WeakPolarHBondContact O-CB 3.37Å; Y354-K356 HydrophobicContact CD2-CB 4.12Å; Y354-K356 HydrophobicContact CE2-CB 4.03Å; Y354-K356 HydrophobicContact CE2-CD 4.45Å; Y354-H367 HydrophobicContact CD2-CB 3.94Å; Y354-H367 HydrophobicContact CE1-CB 4.34Å; Y354-H367 HydrophobicContact CE2-CB 3.63Å; Y354-H367 AromaticContact CE2-CG 3.66Å; Y354-H367 AromaticContact CE2-ND1 3.85Å; Y354-H367 HydrophobicContact CG-CB 4.42Å; Y354-H367 AromaticContact CZ-ND1 3.98Å; Y354-H367 PolarHBondContact N-O 3.32Å; Y354-H367 PolarHBondContact O-N 2.79Å; Y354-L369 HydrophobicContact CD1-CD1 3.9Å; Y354-L369 HydrophobicContact CE1-CD1 3.43Å; Y354-L369 VanDerWaalsContact CE1-CD1 3.43Å; Y354-L369 HydrophobicContact CE1-CG 4.49Å; Y354-Y373 HydrophobicContact CD1-CE1 4.4Å |
| 355 | L | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.5 | 166.8 | -63.1 | -176.9 | 0 | 0 | 0 | 109.7 | L238 V297 L318 F327 V336 W337 V364 H365 L366 | L238-L355 HydrophobicContact CD1-CD1 4.41Å; V297-L355 HydrophobicContact CG1-CD1 3.96Å; V297-L355 HydrophobicContact CG2-CD1 3.94Å; L318-L355 HydrophobicContact CD1-CD2 3.73Å; F327-L355 HydrophobicContact CD2-CD1 4.09Å; F327-L355 HydrophobicContact CE2-CD1 3.64Å; F327-L355 HydrophobicContact CZ-CD1 3.9Å; V336-L355 WeakPolarHBondContact CA-O 3.26Å; V336-L355 WeakPolarHBondContact CB-O 3.45Å; W337-L355 HydrophobicContact CB-CB 4.46Å; W337-L355 HydrophobicContact CE3-CB 4.43Å; W337-L355 PolarHBondContact N-O 3.49Å; W337-L355 PolarHBondContact O-N 3.05Å; L355-V364 HydrophobicContact CB-CG1 4.2Å; L355-V364 HydrophobicContact CD2-CG1 4.43Å; L355-H365 WeakPolarHBondContact CA-O 3.36Å; L355-L366 HydrophobicContact CD2-CB 3.91Å; L355-L366 HydrophobicContact CD2-CD1 3.7Å; L355-L366 HydrophobicContact CD2-CG 4.4Å |
| 356 | K | 93.1 | Very high | 89.8 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.4 | 175.8 | 176 | 170.9 | 178.2 | 171.6 | 0 | 109.7 | E304 V336 Y354 H365 | E304-K356 WeakPolarHBondContact OE1-CD 3.31Å; E304-K356 IonicContact OE1-NZ 2.76Å; E304-K356 PolarHBondContact OE1-NZ 3.16Å; E304-K356 WeakPolarHBondContact OE2-CE 3.5Å; E304-K356 IonicContact OE2-NZ 2.69Å; E304-K356 PolarHBondContact OE2-NZ 2.82Å; V336-K356 HydrophobicContact CG1-CB 4.03Å; V336-K356 HydrophobicContact CG1-CD 4.43Å; V336-K356 HydrophobicContact CG1-CG 4.24Å; Y354-K356 HydrophobicContact CD2-CB 4.12Å; Y354-K356 HydrophobicContact CE2-CB 4.03Å; Y354-K356 HydrophobicContact CE2-CD 4.45Å; K356-H365 PolarHBondContact N-O 3.42Å; K356-H365 PolarHBondContact O-N 2.96Å |
| 357 | A | 92.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 138.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L328 L361 | L328-A357 HydrophobicContact CD2-CB 3.97Å; A357-L361 HydrophobicContact CB-CD2 4.04Å |
| 358 | S | 89.9 | Confident | 91.4 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 21% | 0.21 | 18% | 0.181 | C | C | . | . | trans | -62.8 | 151.6 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | D360 L361 S363 | S358-D360 WeakPolarHBondContact CB-OD1 3.34Å; S358-D360 PolarHBondContact O-N 3.5Å; S358-D360 VanDerWaalsContact O-N 3.16Å; S358-D360 PolarHBondContact OG-OD1 3.39Å; S358-L361 WeakPolarHBondContact O-CA 3.31Å; S358-L361 PolarHBondContact O-N 2.65Å; S358-S363 VanDerWaalsContact CB-O 3.32Å; S358-S363 WeakPolarHBondContact CB-O 3.27Å; S358-S363 WeakPolarHBondContact CB-OG 3.32Å; S358-S363 PolarHBondContact N-O 3.32Å | ||
| 359 | N | 86.6 | Confident | 92.1 | Very high | 143 Ų | 143 | 31.7 Ų | 31.7 | 77% | 0.765 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.6 | -178.1 | -66.5 | -1.9 | 0 | 0 | 0 | 112.7 | L361 | N359-L361 VanDerWaalsContact C-N 3.29Š|
| 360 | D | 87.2 | Confident | 92.4 | Very high | 86 Ų | 86 | 30.2 Ų | 30.2 | 46% | 0.46 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.1 | 174.3 | 64.8 | -4.6 | 0 | 0 | 0 | 113.6 | S358 Q362 | S358-D360 WeakPolarHBondContact CB-OD1 3.34Å; S358-D360 PolarHBondContact O-N 3.5Å; S358-D360 VanDerWaalsContact O-N 3.16Å; S358-D360 PolarHBondContact OG-OD1 3.39Å; D360-Q362 HydrophobicContact CB-CG 4.12Å; D360-Q362 PolarHBondContact O-N 3.38Å; D360-Q362 VanDerWaalsContact O-N 3.16Å; D360-Q362 PolarHBondContact OD1-N 3.1Å; D360-Q362 VanDerWaalsContact OD1-N 3.1Å |
| 361 | L | 85.6 | Confident | 92.5 | Very high | 73 Ų | 73 | 29.7 Ų | 29.7 | 38% | 0.382 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 53.9 | 27 | -175.5 | -58.5 | 176.1 | 0 | 0 | 0 | 114 | L328 S331 A357 S358 N359 | L328-L361 HydrophobicContact CD2-CB 4.49Å; L328-L361 WeakPolarHBondContact CD2-O 3.46Å; S331-L361 VanDerWaalsContact OG-CD2 3.26Å; S331-L361 WeakPolarHBondContact OG-CD2 3.33Å; A357-L361 HydrophobicContact CB-CD2 4.04Å; S358-L361 WeakPolarHBondContact O-CA 3.31Å; S358-L361 PolarHBondContact O-N 2.65Å; N359-L361 VanDerWaalsContact C-N 3.29Å |
| 362 | Q | 87.7 | Confident | 92.5 | Very high | 146 Ų | 146 | 30.6 Ų | 30.6 | 68% | 0.682 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -95.2 | -26.8 | 179.2 | -62.8 | -169.7 | -0.4 | 0 | 0 | 113.4 | D360 | D360-Q362 HydrophobicContact CB-CG 4.12Å; D360-Q362 PolarHBondContact O-N 3.38Å; D360-Q362 VanDerWaalsContact O-N 3.16Å; D360-Q362 PolarHBondContact OD1-N 3.1Å; D360-Q362 VanDerWaalsContact OD1-N 3.1Å |
| 363 | S | 91.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | trans | -141.1 | 154.2 | -173.4 | 58 | 0 | 0 | 0 | 0 | 111.5 | S358 H365 | S358-S363 VanDerWaalsContact CB-O 3.32Å; S358-S363 WeakPolarHBondContact CB-O 3.27Å; S358-S363 WeakPolarHBondContact CB-OG 3.32Å; S358-S363 PolarHBondContact N-O 3.32Å; S363-H365 PolarHBondContact OG-NE2 3.08Å | ||
| 364 | V | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.7 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | L318 T324 F327 L328 L355 | L318-V364 WeakPolarHBondContact CB-O 3.41Å; L318-V364 HydrophobicContact CD1-CB 4.47Å; L318-V364 HydrophobicContact CD1-CG1 4.13Å; L318-V364 PolarHBondContact N-O 3.42Å; T324-V364 HydrophobicContact CG2-CB 4.29Å; T324-V364 HydrophobicContact CG2-CG2 4.36Å; F327-V364 HydrophobicContact CB-CG2 4.22Å; L328-V364 HydrophobicContact CD1-CG2 4.45Å; L328-V364 HydrophobicContact CD2-CG2 3.77Å; L328-V364 HydrophobicContact CG-CG2 3.77Å; L355-V364 HydrophobicContact CB-CG1 4.2Å; L355-V364 HydrophobicContact CD2-CG1 4.43Å |
| 365 | H | 93.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 20% | 0.204 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.2 | -175.9 | -67.2 | -126.4 | 0 | 0 | 0 | 109.3 | Y316 L355 K356 S363 | Y316-H365 CarbonylContact O-C 3.55Å; Y316-H365 VanDerWaalsContact O-CA 3.27Å; Y316-H365 WeakPolarHBondContact O-CA 2.95Å; L355-H365 WeakPolarHBondContact CA-O 3.36Å; K356-H365 PolarHBondContact N-O 3.42Å; K356-H365 PolarHBondContact O-N 2.96Å; S363-H365 PolarHBondContact OG-NE2 3.08Å |
| 366 | L | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.4 | 165.7 | 178.3 | 63.6 | 0 | 0 | 0 | 108.5 | L236 M258 Y316 L318 C339 L355 I368 | L236-L366 HydrophobicContact CD2-CD2 4.13Å; M258-L366 HydrophobicContact SD-CB 4.33Å; M258-L366 HydrophobicContact SD-CD2 3.74Å; Y316-L366 PolarHBondContact N-O 3.36Å; Y316-L366 PolarHBondContact O-N 2.87Å; L318-L366 HydrophobicContact CD2-CB 4.35Å; C339-L366 HydrophobicContact CB-CD1 4.49Å; L355-L366 HydrophobicContact CD2-CB 3.91Å; L355-L366 HydrophobicContact CD2-CD1 3.7Å; L355-L366 HydrophobicContact CD2-CG 4.4Å; L366-I368 HydrophobicContact CD2-CD1 4.39Å; L366-I368 HydrophobicContact CD2-CG1 4.31Å; L366-I368 HydrophobicContact CG-CG1 4.12Å |
| 367 | H | 94.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.8 | 173.4 | -74.1 | -129.5 | 0 | 0 | 0 | 108.5 | V313 D314 G353 Y354 | V313-H367 HydrophobicContact CG1-CB 4.34Å; D314-H367 WeakPolarHBondContact O-CA 3.37Å; G353-H367 CarbonylContact C-O 3.42Å; G353-H367 WeakPolarHBondContact CA-O 3.36Å; Y354-H367 HydrophobicContact CD2-CB 3.94Å; Y354-H367 HydrophobicContact CE1-CB 4.34Å; Y354-H367 HydrophobicContact CE2-CB 3.63Å; Y354-H367 AromaticContact CE2-CG 3.66Å; Y354-H367 AromaticContact CE2-ND1 3.85Å; Y354-H367 HydrophobicContact CG-CB 4.42Å; Y354-H367 AromaticContact CZ-ND1 3.98Å; Y354-H367 PolarHBondContact N-O 3.32Å; Y354-H367 PolarHBondContact O-N 2.79Å |
| 368 | I | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.2 | 177.8 | -50.3 | -173.3 | 0 | 0 | 0 | 109.1 | P118 W269 I271 D314 Y316 F352 L366 | P118-I368 HydrophobicContact CG-CD1 3.83Å; W269-I368 HydrophobicContact CB-CB 4.49Å; W269-I368 HydrophobicContact CB-CG2 3.72Å; I271-I368 HydrophobicContact CD1-CD1 4.21Å; I271-I368 HydrophobicContact CG1-CD1 3.71Å; D314-I368 HydrophobicContact CB-CB 4.36Å; D314-I368 PolarHBondContact O-N 3.12Å; Y316-I368 HydrophobicContact CD2-CD1 3.81Å; Y316-I368 HydrophobicContact CD2-CG1 4.06Å; Y316-I368 HydrophobicContact CE2-CD1 3.58Å; Y316-I368 HydrophobicContact CE2-CG1 4.04Å; F352-I368 HydrophobicContact CD2-CG2 4.28Å; L366-I368 HydrophobicContact CD2-CD1 4.39Å; L366-I368 HydrophobicContact CD2-CG1 4.31Å; L366-I368 HydrophobicContact CG-CG1 4.12Å |
| 369 | L | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -131.4 | 175.4 | -174 | -73.4 | 177.3 | 0 | 0 | 0 | 110.1 | L307 F311 V313 F352 Y354 Y373 | L307-L369 HydrophobicContact CD1-CD2 4.33Å; L307-L369 HydrophobicContact CD2-CD2 4.33Å; F311-L369 HydrophobicContact CD1-CD2 4.31Å; F311-L369 HydrophobicContact CE1-CD2 3.63Å; V313-L369 HydrophobicContact CG1-CD2 4.25Å; V313-L369 HydrophobicContact CG2-CD2 4.16Å; F352-L369 CarbonylContact O-C 3.57Å; F352-L369 WeakPolarHBondContact O-CA 3.18Å; F352-L369 PolarHBondContact O-N 2.93Å; Y354-L369 HydrophobicContact CD1-CD1 3.9Å; Y354-L369 HydrophobicContact CE1-CD1 3.43Å; Y354-L369 VanDerWaalsContact CE1-CD1 3.43Å; Y354-L369 HydrophobicContact CE1-CG 4.49Å; L369-Y373 HydrophobicContact CB-CD1 4.07Å; L369-Y373 HydrophobicContact CB-CG 4.06Å; L369-Y373 HydrophobicContact CD1-CD1 3.92Å; L369-Y373 HydrophobicContact CD1-CD2 3.8Å; L369-Y373 HydrophobicContact CD1-CE1 4.28Å; L369-Y373 HydrophobicContact CD1-CE2 4.2Å; L369-Y373 HydrophobicContact CD1-CG 3.67Å | ||
| 370 | P | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -53.8 | 150.7 | 168.7 | -24.9 | 32.3 | 0 | 0 | 0 | 112.3 | W269 F311 N372 Y373 F376 L412 | W269-P370 HydrophobicContact CD2-CG 4.18Å; W269-P370 HydrophobicContact CE3-CB 4.35Å; W269-P370 HydrophobicContact CE3-CG 4.03Å; W269-P370 HydrophobicContact CH2-CB 4.4Å; W269-P370 HydrophobicContact CH2-CG 3.54Å; W269-P370 HydrophobicContact CZ2-CG 3.66Å; W269-P370 HydrophobicContact CZ3-CB 4.13Å; W269-P370 HydrophobicContact CZ3-CG 3.71Å; F311-P370 HydrophobicContact CZ-CG 3.75Å; P370-N372 PolarHBondContact O-N 3.3Å; P370-Y373 WeakPolarHBondContact O-CB 3.45Å; P370-Y373 PolarHBondContact O-N 3.15Å; P370-Y373 VanDerWaalsContact O-N 3.16Å; P370-F376 HydrophobicContact CB-CD1 4.21Å; P370-F376 HydrophobicContact CB-CG 4.37Å; P370-F376 HydrophobicContact CG-CD1 3.77Å; P370-F376 HydrophobicContact CG-CE1 3.92Å; P370-F376 HydrophobicContact CG-CG 4.4Å; P370-L412 HydrophobicContact CB-CD2 4.1Å; P370-L412 HydrophobicContact CG-CD2 4.24Å | ||
| 371 | Y | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 130.1 | 171.4 | -165.4 | -93.4 | 0 | 0 | 0 | 110.2 | P272 W276 I344 Q348 N349 A350 F352 Y400 I404 Y408 | P272-Y371 HydrophobicContact CB-CD2 3.97Å; P272-Y371 HydrophobicContact CB-CE2 4.02Å; P272-Y371 HydrophobicContact CG-CD2 4.2Å; P272-Y371 HydrophobicContact CG-CE2 4.21Å; W276-Y371 HydrophobicContact CH2-CE1 4.44Å; W276-Y371 AromaticContact CZ3-CE1 3.93Å; W276-Y371 HydrophobicContact CZ3-CE1 3.93Å; I344-Y371 HydrophobicContact CD1-CE2 4.36Å; Q348-Y371 PolarHBondContact O-OH 3.14Å; N349-Y371 WeakPolarHBondContact CA-OH 3.28Å; A350-Y371 HydrophobicContact CB-CD1 4.16Å; A350-Y371 HydrophobicContact CB-CE1 3.63Å; A350-Y371 PolarHBondContact N-OH 3.17Å; A350-Y371 VanDerWaalsContact N-OH 3.13Å; F352-Y371 HydrophobicContact CB-CD2 4.13Å; Y371-Y400 PolarHBondContact O-OH 3.21Å; Y371-I404 HydrophobicContact CD1-CB 4.25Å; Y371-I404 HydrophobicContact CD1-CG2 4Å; Y371-Y408 HydrophobicContact CD2-CE2 4.23Å; Y371-Y408 HydrophobicContact CG-CE2 4.25Å |
| 372 | N | 94.8 | Very high | 92 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 46 | -172.1 | -161.5 | 8.6 | 0 | 0 | 0 | 113.3 | A350 P351 P370 P374 V375 F376 Y400 | A350-N372 HydrophobicContact CB-CB 3.52Å; P351-N372 WeakPolarHBondContact O-CA 3.5Å; P351-N372 PolarHBondContact O-N 3.09Å; P370-N372 PolarHBondContact O-N 3.3Å; N372-P374 VanDerWaalsContact C-N 3.27Å; N372-P374 VanDerWaalsContact O-N 3.16Å; N372-V375 PolarHBondContact O-N 3.18Å; N372-F376 PolarHBondContact O-N 3.07Å; N372-Y400 HydrophobicContact CB-CE2 4.17Å |
| 373 | Y | 94.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.8 | -31.3 | 179.1 | 74.8 | -95.8 | 0 | 0 | 0 | 115.3 | P305 P351 Y354 L369 P370 V375 F376 L377 | P305-Y373 HydrophobicContact CB-CD2 4.5Å; P305-Y373 HydrophobicContact CB-CE2 4.07Å; P305-Y373 HydrophobicContact CG-CD2 4.36Å; P305-Y373 HydrophobicContact CG-CE2 3.78Å; P351-Y373 HydrophobicContact CB-CD1 4.34Å; P351-Y373 HydrophobicContact CB-CE1 3.77Å; P351-Y373 HydrophobicContact CG-CD1 4.38Å; P351-Y373 HydrophobicContact CG-CE1 4.02Å; P351-Y373 WeakPolarHBondContact O-CD1 3.49Å; P351-Y373 PolarHBondContact O-N 3.41Å; Y354-Y373 HydrophobicContact CD1-CE1 4.4Å; L369-Y373 HydrophobicContact CB-CD1 4.07Å; L369-Y373 HydrophobicContact CB-CG 4.06Å; L369-Y373 HydrophobicContact CD1-CD1 3.92Å; L369-Y373 HydrophobicContact CD1-CD2 3.8Å; L369-Y373 HydrophobicContact CD1-CE1 4.28Å; L369-Y373 HydrophobicContact CD1-CE2 4.2Å; L369-Y373 HydrophobicContact CD1-CG 3.67Å; P370-Y373 WeakPolarHBondContact O-CB 3.45Å; P370-Y373 PolarHBondContact O-N 3.15Å; P370-Y373 VanDerWaalsContact O-N 3.16Å; Y373-V375 PolarHBondContact O-N 3.26Å; Y373-F376 PolarHBondContact O-N 3.39Å; Y373-L377 HydrophobicContact CD2-CD1 3.81Å; Y373-L377 WeakPolarHBondContact O-CB 3.41Å; Y373-L377 WeakPolarHBondContact O-CG 3.24Å; Y373-L377 PolarHBondContact O-N 3.36Å |
| 374 | P | 93.5 | Very high | 91.1 | Very high | 33 Ų | 33 | 23.2 Ų | 23.2 | 21% | 0.214 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | -179.8 | -25.5 | 36.4 | 0 | 0 | 0 | 113.1 | P351 N372 Q378 | P351-P374 HydrophobicContact CG-CG 3.76Å; N372-P374 VanDerWaalsContact C-N 3.27Å; N372-P374 VanDerWaalsContact O-N 3.16Å; P374-Q378 WeakPolarHBondContact O-CG 3.06Å; P374-Q378 PolarHBondContact O-N 3.23Å |
| 375 | V | 93 | Very high | 90.3 | Very high | 54 Ų | 54 | 29.5 Ų | 29.5 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -71 | -41.1 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | N372 Y373 L377 Q378 L379 Y400 | N372-V375 PolarHBondContact O-N 3.18Å; Y373-V375 PolarHBondContact O-N 3.26Å; V375-L377 PolarHBondContact O-N 2.79Å; V375-Q378 WeakPolarHBondContact O-CB 3.34Å; V375-Q378 PolarHBondContact O-N 3.31Å; V375-L379 HydrophobicContact CG1-CD1 4.34Å; V375-L379 WeakPolarHBondContact O-CG 3.02Å; V375-L379 PolarHBondContact O-N 3.32Å; V375-L379 VanDerWaalsContact O-N 3.11Å; V375-Y400 HydrophobicContact CB-CD2 4.23Å; V375-Y400 HydrophobicContact CB-CE2 4.48Å; V375-Y400 HydrophobicContact CG1-CD2 3.86Å |
| 376 | F | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 178.3 | 179.6 | -103.7 | 0 | 0 | 0 | 113 | F311 P370 N372 Y373 Q378 L379 L380 Y400 L412 F416 | F311-F376 AromaticContact CE2-CE1 3.68Å; F311-F376 HydrophobicContact CE2-CE1 3.68Å; F311-F376 HydrophobicContact CE2-CZ 4.42Å; F311-F376 HydrophobicContact CZ-CE1 4.02Å; P370-F376 HydrophobicContact CB-CD1 4.21Å; P370-F376 HydrophobicContact CB-CG 4.37Å; P370-F376 HydrophobicContact CG-CD1 3.77Å; P370-F376 HydrophobicContact CG-CE1 3.92Å; P370-F376 HydrophobicContact CG-CG 4.4Å; N372-F376 PolarHBondContact O-N 3.07Å; Y373-F376 PolarHBondContact O-N 3.39Å; F376-Q378 VanDerWaalsContact C-N 3.34Å; F376-L379 PolarHBondContact O-N 3.46Å; F376-L380 HydrophobicContact CE1-CD2 4.12Å; F376-L380 WeakPolarHBondContact O-CB 3.49Å; F376-L380 PolarHBondContact O-N 2.64Å; F376-Y400 HydrophobicContact CB-CE1 4.41Å; F376-Y400 HydrophobicContact CB-CE2 3.98Å; F376-Y400 WeakPolarHBondContact CB-OH 3.32Å; F376-Y400 AromaticContact CD2-CE1 3.73Å; F376-Y400 HydrophobicContact CD2-CE1 3.73Å; F376-Y400 AromaticContact CD2-CZ 3.87Å; F376-Y400 HydrophobicContact CG-CE1 4.48Å; F376-L412 HydrophobicContact CD2-CD2 3.98Å; F376-L412 HydrophobicContact CE1-CD2 4.45Å; F376-L412 HydrophobicContact CE2-CD2 3.5Å; F376-L412 HydrophobicContact CZ-CD2 3.77Å; F376-F416 HydrophobicContact CE2-CE1 4.49Å; F376-F416 AromaticContact CE2-CE2 3.69Å; F376-F416 HydrophobicContact CE2-CE2 3.69Å; F376-F416 AromaticContact CE2-CZ 3.53Å; F376-F416 HydrophobicContact CE2-CZ 3.53Å; F376-F416 HydrophobicContact CZ-CE2 4.08Å; F376-F416 AromaticContact CZ-CZ 3.9Å; F376-F416 HydrophobicContact CZ-CZ 3.9Å |
| 377 | L | 91.6 | Very high | 88 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.6 | -32.8 | -179.9 | -69.5 | 177.3 | 0 | 0 | 0 | 112.2 | P305 L307 Y373 V375 L380 G381 | P305-L377 HydrophobicContact CB-CD1 3.65Å; P305-L377 HydrophobicContact CG-CD1 4.36Å; L307-L377 HydrophobicContact CD2-CD1 3.52Å; L307-L377 HydrophobicContact CD2-CD2 3.54Å; L307-L377 HydrophobicContact CD2-CG 4.18Å; Y373-L377 HydrophobicContact CD2-CD1 3.81Å; Y373-L377 WeakPolarHBondContact O-CB 3.41Å; Y373-L377 WeakPolarHBondContact O-CG 3.24Å; Y373-L377 PolarHBondContact O-N 3.36Å; V375-L377 PolarHBondContact O-N 2.79Å; L377-L380 HydrophobicContact CD2-CD2 4.29Å; L377-L380 PolarHBondContact O-N 3.05Å; L377-G381 PolarHBondContact O-N 2.86Å |
| 378 | Q | 90.2 | Very high | 86.8 | Confident | 133 Ų | 133 | 51 Ų | 51 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.6 | -51.5 | 170.1 | -71.9 | 172.8 | -16.2 | 0 | 0 | 110.6 | P374 V375 F376 L380 G381 D382 | P374-Q378 WeakPolarHBondContact O-CG 3.06Å; P374-Q378 PolarHBondContact O-N 3.23Å; V375-Q378 WeakPolarHBondContact O-CB 3.34Å; V375-Q378 PolarHBondContact O-N 3.31Å; F376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-L380 PolarHBondContact O-N 2.97Å; Q378-G381 PolarHBondContact O-N 3.27Å; Q378-G381 VanDerWaalsContact O-N 3.17Å; Q378-D382 PolarHBondContact O-N 3.31Å; Q378-D382 VanDerWaalsContact O-N 3.1Å |
| 379 | L | 89.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -33.9 | 176.9 | -67.1 | 172.8 | 0 | 0 | 0 | 112.9 | V375 F376 I383 W393 Q396 F397 Y400 | V375-L379 HydrophobicContact CG1-CD1 4.34Å; V375-L379 WeakPolarHBondContact O-CG 3.02Å; V375-L379 PolarHBondContact O-N 3.32Å; V375-L379 VanDerWaalsContact O-N 3.11Å; F376-L379 PolarHBondContact O-N 3.46Å; L379-I383 WeakPolarHBondContact O-CG1 3.37Å; L379-W393 PolarHBondContact O-NE1 3.15Å; L379-Q396 HydrophobicContact CD2-CB 3.73Å; L379-F397 HydrophobicContact CD1-CD2 4.38Å; L379-Y400 HydrophobicContact CD1-CD1 4.38Å; L379-Y400 HydrophobicContact CD1-CG 3.97Å |
| 380 | L | 87.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.7 | -40.1 | 177.8 | -172.6 | 63.9 | 0 | 0 | 0 | 111.8 | P308 F311 F376 L377 Q378 I383 C384 F416 I419 | P308-L380 HydrophobicContact CG-CD2 3.84Å; P308-L380 HydrophobicContact CG-CG 4.42Å; F311-L380 HydrophobicContact CD2-CD2 3.91Å; F311-L380 HydrophobicContact CE2-CD2 4.25Å; F376-L380 HydrophobicContact CE1-CD2 4.12Å; F376-L380 WeakPolarHBondContact O-CB 3.49Å; F376-L380 PolarHBondContact O-N 2.64Å; L377-L380 HydrophobicContact CD2-CD2 4.29Å; L377-L380 PolarHBondContact O-N 3.05Å; Q378-L380 PolarHBondContact O-N 2.97Å; L380-I383 PolarHBondContact O-N 3.26Å; L380-C384 WeakPolarHBondContact O-CB 3.47Å; L380-C384 PolarHBondContact O-N 2.96Å; L380-C384 PolarHBondContact O-SG 3.05Å; L380-F416 HydrophobicContact CD1-CD1 4.48Å; L380-F416 HydrophobicContact CD1-CE1 3.99Å; L380-I419 HydrophobicContact CD1-CD1 3.83Å; L380-I419 HydrophobicContact CD2-CD1 4.05Å |
| 381 | G | 85.9 | Confident | 84.9 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L377 Q378 I383 C384 D385 | L377-G381 PolarHBondContact O-N 2.86Å; Q378-G381 PolarHBondContact O-N 3.27Å; Q378-G381 VanDerWaalsContact O-N 3.17Å; G381-I383 VanDerWaalsContact C-N 3.27Å; G381-I383 PolarHBondContact O-N 3.5Å; G381-C384 PolarHBondContact O-N 2.92Å; G381-C384 VanDerWaalsContact O-N 3.1Å; G381-D385 PolarHBondContact O-N 2.9Å |
| 382 | D | 84.9 | Confident | 84.6 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.2 | -39.3 | 179.3 | -65.4 | -15.6 | 0 | 0 | 0 | 112.6 | Q378 H386 | Q378-D382 PolarHBondContact O-N 3.31Å; Q378-D382 VanDerWaalsContact O-N 3.1Å; D382-H386 WeakPolarHBondContact O-CB 3.39Å; D382-H386 PolarHBondContact O-CD2 3.37Å; D382-H386 PolarHBondContact O-N 2.88Å |
| 383 | I | 83.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.9 | -46.2 | 177.1 | -63.8 | 165.8 | 0 | 0 | 0 | 111.5 | L379 L380 G381 D385 K387 W393 F416 F421 | L379-I383 WeakPolarHBondContact O-CG1 3.37Å; L380-I383 PolarHBondContact O-N 3.26Å; G381-I383 VanDerWaalsContact C-N 3.27Å; G381-I383 PolarHBondContact O-N 3.5Å; I383-D385 PolarHBondContact O-N 3.11Å; I383-K387 WeakPolarHBondContact O-CA 3.35Å; I383-K387 PolarHBondContact O-N 3.47Å; I383-W393 HydrophobicContact CD1-CD2 4.18Å; I383-W393 HydrophobicContact CD1-CH2 3.58Å; I383-W393 HydrophobicContact CD1-CZ2 2.98Å; I383-W393 HydrophobicContact CD1-CZ3 4.37Å; I383-W393 HydrophobicContact CG1-CD2 4.01Å; I383-W393 VanDerWaalsContact CG1-CE2 3.41Å; I383-W393 HydrophobicContact CG1-CG 4.44Å; I383-W393 HydrophobicContact CG1-CH2 4.44Å; I383-W393 HydrophobicContact CG1-CZ2 3.72Å; I383-F416 HydrophobicContact CD1-CE1 4.12Å; I383-F421 HydrophobicContact CG2-CD1 4.35Å; I383-F421 HydrophobicContact CG2-CD2 4.25Å; I383-F421 HydrophobicContact CG2-CE1 3.62Å; I383-F421 HydrophobicContact CG2-CE2 3.49Å; I383-F421 VanDerWaalsContact CG2-CE2 3.49Å; I383-F421 HydrophobicContact CG2-CZ 3.14Å |
| 384 | C | 78.5 | Confident | 84.1 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | -176 | -75 | 0 | 0 | 0 | 0 | 111.3 | L380 G381 | L380-C384 WeakPolarHBondContact O-CB 3.47Å; L380-C384 PolarHBondContact O-N 2.96Å; L380-C384 PolarHBondContact O-SG 3.05Å; G381-C384 PolarHBondContact O-N 2.92Å; G381-C384 VanDerWaalsContact O-N 3.1Å |
| 385 | D | 75.9 | Confident | 84 | Confident | 132 Ų | 132 | 73.4 Ų | 73.4 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -77.9 | -43.4 | -179.2 | -69.7 | -14.7 | 0 | 0 | 0 | 112.5 | G381 I383 | G381-D385 PolarHBondContact O-N 2.9Å; I383-D385 PolarHBondContact O-N 3.11Å |
| 386 | H | 69.7 | Low | 84 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 60% | 0.597 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -89.4 | -18.3 | -173.8 | -60.8 | -45.8 | 0 | 0 | 0 | 114.2 | D382 R388 | D382-H386 WeakPolarHBondContact O-CB 3.39Å; D382-H386 PolarHBondContact O-CD2 3.37Å; D382-H386 PolarHBondContact O-N 2.88Å; H386-R388 PolarHBondContact O-N 2.84Å |
| 387 | K | 69.9 | Low | 83.9 | Confident | 174 Ų | 174 | 75.9 Ų | 75.9 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | trans | 48.1 | 18.5 | -171.9 | -63.5 | -175.7 | 179.2 | 178.6 | 0 | 114.3 | I383 | I383-K387 WeakPolarHBondContact O-CA 3.35Å; I383-K387 PolarHBondContact O-N 3.47Å | ||
| 388 | R | 69.1 | Low | 84 | Confident | 204 Ų | 204 | 79.2 Ų | 79.2 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -136.9 | 125.9 | -178 | -75.1 | -173.3 | 177.4 | 166.6 | 0.5 | 109.2 | H386 T390 | H386-R388 PolarHBondContact O-N 2.84Å; R388-T390 PolarHBondContact O-N 3.21Å |
| 389 | M | 76.9 | Confident | 84.1 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | trans | -83.3 | 103.5 | 174.9 | -59.4 | 169.7 | 75.2 | 0 | 0 | 108.1 | W393 M424 | M389-W393 HydrophobicContact CB-CE3 4.29Å; M389-W393 HydrophobicContact CE-CE3 3.98Å; M389-W393 HydrophobicContact CE-CH2 4.13Å; M389-W393 HydrophobicContact CE-CZ3 3.35Å; M389-W393 HydrophobicContact CG-CE3 4.41Å; M389-M424 HydrophobicContact CE-CE 3.94Å; M389-M424 HydrophobicContact CE-SD 3.27Å; M389-M424 WeakPolarHBondContact CE-SD 3.46Å; M389-M424 HydrophobicContact SD-CE 3.83Å; M389-M424 HydrophobicContact SD-SD 3.82Å | ||
| 390 | T | 82.2 | Confident | 84.4 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | trans | -75.2 | 157.3 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | R388 A392 W393 G394 | R388-T390 PolarHBondContact O-N 3.21Å; T390-A392 PolarHBondContact O-N 3.17Å; T390-W393 PolarHBondContact O-N 3.35Å; T390-W393 VanDerWaalsContact O-N 3.17Å; T390-W393 WeakPolarHBondContact OG1-CB 3.48Å; T390-W393 PolarHBondContact OG1-N 2.83Å; T390-W393 VanDerWaalsContact OG1-N 3.14Å; T390-G394 PolarHBondContact O-N 3.43Å | ||
| 391 | E | 84.6 | Confident | 84.6 | Confident | 159 Ų | 159 | 79.5 Ų | 79.5 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | 173.8 | -174.6 | 173.6 | -164.9 | 0 | 0 | 111.2 | W393 G394 H395 | E391-W393 PolarHBondContact O-N 3.42Å; E391-G394 PolarHBondContact O-N 3.31Å; E391-G394 VanDerWaalsContact O-N 3.15Å; E391-H395 PolarHBondContact O-CD2 3.15Å; E391-H395 PolarHBondContact O-N 3.49Å; E391-H395 IonicContact OE1-NE2 3.23Å |
| 392 | A | 87.7 | Confident | 84.8 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | T390 G394 H395 Q396 | T390-A392 PolarHBondContact O-N 3.17Å; A392-G394 VanDerWaalsContact C-N 3.32Å; A392-G394 PolarHBondContact O-N 3.27Å; A392-H395 PolarHBondContact O-N 3.48Å; A392-Q396 WeakPolarHBondContact O-CG 3.09Å; A392-Q396 PolarHBondContact O-N 3.41Å |
| 393 | W | 90.1 | Very high | 85.1 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 4% | 0.042 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 174.9 | -179.5 | 90.6 | 0 | 0 | 0 | 111.2 | L379 I383 M389 T390 E391 H395 Q396 F397 | L379-W393 PolarHBondContact O-NE1 3.15Å; I383-W393 HydrophobicContact CD1-CD2 4.18Å; I383-W393 HydrophobicContact CD1-CH2 3.58Å; I383-W393 HydrophobicContact CD1-CZ2 2.98Å; I383-W393 HydrophobicContact CD1-CZ3 4.37Å; I383-W393 HydrophobicContact CG1-CD2 4.01Å; I383-W393 VanDerWaalsContact CG1-CE2 3.41Å; I383-W393 HydrophobicContact CG1-CG 4.44Å; I383-W393 HydrophobicContact CG1-CH2 4.44Å; I383-W393 HydrophobicContact CG1-CZ2 3.72Å; M389-W393 HydrophobicContact CB-CE3 4.29Å; M389-W393 HydrophobicContact CE-CE3 3.98Å; M389-W393 HydrophobicContact CE-CH2 4.13Å; M389-W393 HydrophobicContact CE-CZ3 3.35Å; M389-W393 HydrophobicContact CG-CE3 4.41Å; T390-W393 PolarHBondContact O-N 3.35Å; T390-W393 VanDerWaalsContact O-N 3.17Å; T390-W393 WeakPolarHBondContact OG1-CB 3.48Å; T390-W393 PolarHBondContact OG1-N 2.83Å; T390-W393 VanDerWaalsContact OG1-N 3.14Å; E391-W393 PolarHBondContact O-N 3.42Å; W393-H395 VanDerWaalsContact C-N 3.34Å; W393-H395 PolarHBondContact O-N 2.95Å; W393-Q396 PolarHBondContact O-N 3.43Å; W393-F397 HydrophobicContact CD2-CB 4.45Å; W393-F397 HydrophobicContact CE3-CB 4.27Å; W393-F397 HydrophobicContact CH2-CB 3.61Å; W393-F397 AromaticContact CH2-CD1 3.73Å; W393-F397 HydrophobicContact CH2-CD1 3.73Å; W393-F397 AromaticContact CH2-CD2 3.86Å; W393-F397 HydrophobicContact CH2-CD2 3.86Å; W393-F397 HydrophobicContact CH2-CE1 4.36Å; W393-F397 HydrophobicContact CH2-CE2 4.48Å; W393-F397 AromaticContact CH2-CG 3.44Å; W393-F397 HydrophobicContact CH2-CG 3.44Å; W393-F397 VanDerWaalsContact CH2-CG 3.44Å; W393-F397 HydrophobicContact CZ2-CB 3.77Å; W393-F397 AromaticContact CZ2-CD2 3.89Å; W393-F397 HydrophobicContact CZ2-CD2 3.89Å; W393-F397 AromaticContact CZ2-CG 3.82Å; W393-F397 HydrophobicContact CZ2-CG 3.82Å; W393-F397 HydrophobicContact CZ3-CB 3.86Å; W393-F397 HydrophobicContact CZ3-CD1 4.12Å; W393-F397 HydrophobicContact CZ3-CG 4.04Å; W393-F397 WeakPolarHBondContact O-CB 3.41Å; W393-F397 PolarHBondContact O-N 2.92Å |
| 394 | G | 88.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 81.6 Ų | 81.6 | 26% | 0.258 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T390 E391 A392 F397 V398 | T390-G394 PolarHBondContact O-N 3.43Å; E391-G394 PolarHBondContact O-N 3.31Å; E391-G394 VanDerWaalsContact O-N 3.15Å; A392-G394 VanDerWaalsContact C-N 3.32Å; A392-G394 PolarHBondContact O-N 3.27Å; G394-F397 PolarHBondContact O-N 2.92Å; G394-V398 WeakPolarHBondContact O-CB 3.48Å; G394-V398 VanDerWaalsContact O-CG2 3.26Å; G394-V398 WeakPolarHBondContact O-CG2 3.28Å; G394-V398 PolarHBondContact O-N 3.27Å |
| 395 | H | 91.6 | Very high | 86.2 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 175 | -72.5 | -64.8 | 0 | 0 | 0 | 112.8 | E391 A392 W393 V398 N399 | E391-H395 PolarHBondContact O-CD2 3.15Å; E391-H395 PolarHBondContact O-N 3.49Å; E391-H395 IonicContact OE1-NE2 3.23Å; A392-H395 PolarHBondContact O-N 3.48Å; W393-H395 VanDerWaalsContact C-N 3.34Å; W393-H395 PolarHBondContact O-N 2.95Å; H395-V398 PolarHBondContact O-N 3.47Å; H395-N399 WeakPolarHBondContact O-CB 3.31Å; H395-N399 PolarHBondContact O-N 3.42Å; H395-N399 PolarHBondContact O-ND2 2.61Å |
| 396 | Q | 92.7 | Very high | 87 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 46% | 0.458 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 177 | -67.7 | 177.9 | 4.6 | 0 | 0 | 112 | L379 A392 W393 N399 Y400 | L379-Q396 HydrophobicContact CD2-CB 3.73Å; A392-Q396 WeakPolarHBondContact O-CG 3.09Å; A392-Q396 PolarHBondContact O-N 3.41Å; W393-Q396 PolarHBondContact O-N 3.43Å; Q396-N399 WeakPolarHBondContact O-CB 3.39Å; Q396-N399 PolarHBondContact O-N 3.34Å; Q396-Y400 WeakPolarHBondContact O-CB 3.4Å; Q396-Y400 PolarHBondContact O-N 3.31Å |
| 397 | F | 92.5 | Very high | 88 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 176.8 | -177.6 | -114.8 | 0 | 0 | 0 | 112 | L379 W393 G394 N399 Y400 L401 F416 I425 | L379-F397 HydrophobicContact CD1-CD2 4.38Å; W393-F397 HydrophobicContact CD2-CB 4.45Å; W393-F397 HydrophobicContact CE3-CB 4.27Å; W393-F397 HydrophobicContact CH2-CB 3.61Å; W393-F397 AromaticContact CH2-CD1 3.73Å; W393-F397 HydrophobicContact CH2-CD1 3.73Å; W393-F397 AromaticContact CH2-CD2 3.86Å; W393-F397 HydrophobicContact CH2-CD2 3.86Å; W393-F397 HydrophobicContact CH2-CE1 4.36Å; W393-F397 HydrophobicContact CH2-CE2 4.48Å; W393-F397 AromaticContact CH2-CG 3.44Å; W393-F397 HydrophobicContact CH2-CG 3.44Å; W393-F397 VanDerWaalsContact CH2-CG 3.44Å; W393-F397 HydrophobicContact CZ2-CB 3.77Å; W393-F397 AromaticContact CZ2-CD2 3.89Å; W393-F397 HydrophobicContact CZ2-CD2 3.89Å; W393-F397 AromaticContact CZ2-CG 3.82Å; W393-F397 HydrophobicContact CZ2-CG 3.82Å; W393-F397 HydrophobicContact CZ3-CB 3.86Å; W393-F397 HydrophobicContact CZ3-CD1 4.12Å; W393-F397 HydrophobicContact CZ3-CG 4.04Å; W393-F397 WeakPolarHBondContact O-CB 3.41Å; W393-F397 PolarHBondContact O-N 2.92Å; G394-F397 PolarHBondContact O-N 2.92Å; F397-N399 VanDerWaalsContact C-N 3.31Å; F397-N399 PolarHBondContact O-N 3.33Å; F397-Y400 HydrophobicContact CD2-CD1 4.26Å; F397-Y400 HydrophobicContact CE2-CD1 4.26Å; F397-Y400 WeakPolarHBondContact O-CB 3.21Å; F397-Y400 PolarHBondContact O-N 3.41Å; F397-L401 HydrophobicContact CD1-CD1 4.12Å; F397-L401 HydrophobicContact CD1-CG 4.45Å; F397-L401 HydrophobicContact CE1-CD1 3.67Å; F397-L401 HydrophobicContact CE1-CD2 4.44Å; F397-L401 HydrophobicContact CE1-CG 4.12Å; F397-L401 HydrophobicContact CE2-CD2 4.23Å; F397-L401 HydrophobicContact CE2-CG 4.36Å; F397-L401 HydrophobicContact CZ-CD1 4.02Å; F397-L401 HydrophobicContact CZ-CD2 3.94Å; F397-L401 HydrophobicContact CZ-CG 4.06Å; F397-L401 WeakPolarHBondContact O-CG 3.49Å; F397-L401 PolarHBondContact O-N 3.28Å; F397-F416 AromaticContact CE2-CE2 3.69Å; F397-F416 HydrophobicContact CE2-CE2 3.69Å; F397-F416 AromaticContact CE2-CZ 3.77Å; F397-F416 HydrophobicContact CE2-CZ 3.77Å; F397-F416 AromaticContact CZ-CE2 3.68Å; F397-F416 HydrophobicContact CZ-CE2 3.68Å; F397-F416 HydrophobicContact CZ-CZ 4.1Å; F397-I425 HydrophobicContact CE1-CG1 4.31Å; F397-I425 HydrophobicContact CZ-CD1 4.39Å; F397-I425 HydrophobicContact CZ-CG1 4.22Å |
| 398 | V | 92.5 | Very high | 89.2 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | G394 H395 L401 G402 | G394-V398 WeakPolarHBondContact O-CB 3.48Å; G394-V398 VanDerWaalsContact O-CG2 3.26Å; G394-V398 WeakPolarHBondContact O-CG2 3.28Å; G394-V398 PolarHBondContact O-N 3.27Å; H395-V398 PolarHBondContact O-N 3.47Å; V398-L401 PolarHBondContact O-N 3.29Å; V398-G402 PolarHBondContact O-N 2.98Å |
| 399 | N | 93.7 | Very high | 90.4 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 174 | -71.2 | -17.5 | 0 | 0 | 0 | 111.4 | H395 Q396 F397 L401 G402 T403 | H395-N399 WeakPolarHBondContact O-CB 3.31Å; H395-N399 PolarHBondContact O-N 3.42Å; H395-N399 PolarHBondContact O-ND2 2.61Å; Q396-N399 WeakPolarHBondContact O-CB 3.39Å; Q396-N399 PolarHBondContact O-N 3.34Å; F397-N399 VanDerWaalsContact C-N 3.31Å; F397-N399 PolarHBondContact O-N 3.33Å; N399-L401 PolarHBondContact O-N 2.88Å; N399-G402 WeakPolarHBondContact O-CA 3.35Å; N399-G402 PolarHBondContact O-N 3.13Å; N399-G402 VanDerWaalsContact O-N 3.07Å; N399-T403 PolarHBondContact O-N 2.96Å |
| 400 | Y | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 175.2 | 167.4 | -99.1 | 0 | 0 | 0 | 112 | Y371 N372 V375 F376 L379 Q396 F397 G402 T403 I404 L412 | Y371-Y400 PolarHBondContact O-OH 3.21Å; N372-Y400 HydrophobicContact CB-CE2 4.17Å; V375-Y400 HydrophobicContact CB-CD2 4.23Å; V375-Y400 HydrophobicContact CB-CE2 4.48Å; V375-Y400 HydrophobicContact CG1-CD2 3.86Å; F376-Y400 HydrophobicContact CB-CE1 4.41Å; F376-Y400 HydrophobicContact CB-CE2 3.98Å; F376-Y400 WeakPolarHBondContact CB-OH 3.32Å; F376-Y400 AromaticContact CD2-CE1 3.73Å; F376-Y400 HydrophobicContact CD2-CE1 3.73Å; F376-Y400 AromaticContact CD2-CZ 3.87Å; F376-Y400 HydrophobicContact CG-CE1 4.48Å; L379-Y400 HydrophobicContact CD1-CD1 4.38Å; L379-Y400 HydrophobicContact CD1-CG 3.97Å; Q396-Y400 WeakPolarHBondContact O-CB 3.4Å; Q396-Y400 PolarHBondContact O-N 3.31Å; F397-Y400 HydrophobicContact CD2-CD1 4.26Å; F397-Y400 HydrophobicContact CE2-CD1 4.26Å; F397-Y400 WeakPolarHBondContact O-CB 3.21Å; F397-Y400 PolarHBondContact O-N 3.41Å; Y400-G402 PolarHBondContact O-N 3.34Å; Y400-T403 WeakPolarHBondContact O-CA 3.48Å; Y400-T403 PolarHBondContact O-N 3.49Å; Y400-T403 PolarHBondContact O-OG1 2.97Å; Y400-I404 HydrophobicContact CD1-CD1 4.49Å; Y400-I404 HydrophobicContact CD2-CG2 4.29Å; Y400-I404 HydrophobicContact CE1-CD1 3.81Å; Y400-I404 HydrophobicContact CE1-CG2 4.28Å; Y400-I404 HydrophobicContact CE2-CG2 3.73Å; Y400-L412 HydrophobicContact CE1-CD1 4.25Å |
| 401 | L | 92.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -28.9 | 175.8 | -69 | -178.9 | 0 | 0 | 0 | 112.8 | F397 V398 N399 T403 I404 F409 L412 I425 | F397-L401 HydrophobicContact CD1-CD1 4.12Å; F397-L401 HydrophobicContact CD1-CG 4.45Å; F397-L401 HydrophobicContact CE1-CD1 3.67Å; F397-L401 HydrophobicContact CE1-CD2 4.44Å; F397-L401 HydrophobicContact CE1-CG 4.12Å; F397-L401 HydrophobicContact CE2-CD2 4.23Å; F397-L401 HydrophobicContact CE2-CG 4.36Å; F397-L401 HydrophobicContact CZ-CD1 4.02Å; F397-L401 HydrophobicContact CZ-CD2 3.94Å; F397-L401 HydrophobicContact CZ-CG 4.06Å; F397-L401 WeakPolarHBondContact O-CG 3.49Å; F397-L401 PolarHBondContact O-N 3.28Å; V398-L401 PolarHBondContact O-N 3.29Å; N399-L401 PolarHBondContact O-N 2.88Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-I404 HydrophobicContact CD2-CD1 4.02Å; L401-F409 HydrophobicContact CB-CE1 4.09Å; L401-F409 HydrophobicContact CB-CZ 4.2Å; L401-F409 HydrophobicContact CD2-CD1 3.94Å; L401-F409 HydrophobicContact CD2-CE1 3.75Å; L401-F409 HydrophobicContact CG-CE1 4.43Å; L401-L412 HydrophobicContact CD2-CD1 4.3Å; L401-I425 HydrophobicContact CD1-CG1 4.4Å; L401-I425 HydrophobicContact CD2-CD1 4.13Å |
| 402 | G | 90.5 | Very high | 92 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -73.1 | -16.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V398 N399 Y400 | V398-G402 PolarHBondContact O-N 2.98Å; N399-G402 WeakPolarHBondContact O-CA 3.35Å; N399-G402 PolarHBondContact O-N 3.13Å; N399-G402 VanDerWaalsContact O-N 3.07Å; Y400-G402 PolarHBondContact O-N 3.34Å |
| 403 | T | 91.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.4 | -178.6 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | W276 N399 Y400 L401 | W276-T403 VanDerWaalsContact CH2-O 3.3Å; W276-T403 WeakPolarHBondContact CH2-O 3.27Å; N399-T403 PolarHBondContact O-N 2.96Å; Y400-T403 WeakPolarHBondContact O-CA 3.48Å; Y400-T403 PolarHBondContact O-N 3.49Å; Y400-T403 PolarHBondContact O-OG1 2.97Å; L401-T403 VanDerWaalsContact C-N 3.3Å |
| 404 | I | 92.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -123.5 | 156.5 | -178.1 | 67.4 | 172.2 | 0 | 0 | 0 | 111.2 | Y371 Y400 L401 K406 F409 L412 | Y371-I404 HydrophobicContact CD1-CB 4.25Å; Y371-I404 HydrophobicContact CD1-CG2 4Å; Y400-I404 HydrophobicContact CD1-CD1 4.49Å; Y400-I404 HydrophobicContact CD2-CG2 4.29Å; Y400-I404 HydrophobicContact CE1-CD1 3.81Å; Y400-I404 HydrophobicContact CE1-CG2 4.28Å; Y400-I404 HydrophobicContact CE2-CG2 3.73Å; L401-I404 HydrophobicContact CD2-CD1 4.02Å; I404-K406 PolarHBondContact O-N 3.4Å; I404-F409 HydrophobicContact CD1-CD1 4.22Å; I404-F409 HydrophobicContact CD1-CE1 4.08Å; I404-F409 HydrophobicContact CG1-CE1 4Å; I404-L412 HydrophobicContact CD1-CD1 3.32Å |
| 405 | P | 91.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -63.6 | 133.6 | 173.6 | -21.5 | 33 | 0 | 0 | 0 | 112.2 | W276 P277 Y407 Y408 | W276-P405 HydrophobicContact CE3-CG 4.37Å; W276-P405 HydrophobicContact CH2-CG 4.13Å; W276-P405 HydrophobicContact CZ3-CG 3.91Å; P277-P405 HydrophobicContact CG-CB 3.84Å; P405-Y407 HydrophobicContact CB-CD1 3.8Å; P405-Y407 HydrophobicContact CB-CD2 4.46Å; P405-Y407 HydrophobicContact CB-CE1 3.34Å; P405-Y407 HydrophobicContact CB-CE2 4.07Å; P405-Y407 HydrophobicContact CB-CG 4.33Å; P405-Y407 VanDerWaalsContact CB-CZ 3.45Å; P405-Y407 HydrophobicContact CG-CE1 4.2Å; P405-Y407 PolarHBondContact O-N 2.92Å; P405-Y408 HydrophobicContact CB-CD2 4.05Å; P405-Y408 HydrophobicContact CB-CE2 4.47Å; P405-Y408 HydrophobicContact CG-CD2 4.14Å; P405-Y408 HydrophobicContact CG-CE2 4.22Å; P405-Y408 WeakPolarHBondContact O-CB 3.36Å; P405-Y408 PolarHBondContact O-N 3.48Å | ||
| 406 | K | 91.4 | Very high | 91.9 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -55.9 | -29.1 | -175.7 | -62.1 | 179.2 | -174.9 | 172.7 | 0 | 113.8 | D279 I404 Y408 F409 A433 | D279-K406 IonicContact OD1-NZ 3.41Å; D279-K406 PolarHBondContact OD1-NZ 3.49Å; D279-K406 IonicContact OD2-NZ 3.31Å; D279-K406 PolarHBondContact OD2-NZ 3.31Å; I404-K406 PolarHBondContact O-N 3.4Å; K406-Y408 PolarHBondContact O-N 3.36Å; K406-F409 HydrophobicContact CB-CD2 4.43Å; K406-F409 HydrophobicContact CB-CE2 4.18Å; K406-F409 HydrophobicContact CB-CZ 4.33Å; K406-F409 HydrophobicContact CG-CE2 4.16Å; K406-F409 HydrophobicContact CG-CZ 4.13Å; K406-F409 WeakPolarHBondContact O-CB 3.41Å; K406-F409 WeakPolarHBondContact O-CG 3.18Å; K406-F409 PolarHBondContact O-N 3.23Å; K406-A433 HydrophobicContact CB-CB 4.2Å |
| 407 | Y | 92.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -66.3 | -14.3 | 177.8 | 61.3 | -108.6 | 0 | 0 | 0 | 114.1 | G113 P270 P272 E273 P277 P405 F409 P411 | G113-Y407 VanDerWaalsContact O-CD1 3.29Å; G113-Y407 WeakPolarHBondContact O-CD1 3.41Å; P270-Y407 HydrophobicContact CG-CD2 4.29Å; P270-Y407 HydrophobicContact CG-CE2 4.26Å; P272-Y407 WeakPolarHBondContact CA-OH 3.48Å; E273-Y407 HydrophobicContact CG-CE1 4.1Å; E273-Y407 PolarHBondContact N-OH 3.31Å; E273-Y407 VanDerWaalsContact N-OH 3.11Å; P277-Y407 HydrophobicContact CG-CD1 4.12Å; P277-Y407 HydrophobicContact CG-CE1 3.78Å; P405-Y407 HydrophobicContact CB-CD1 3.8Å; P405-Y407 HydrophobicContact CB-CD2 4.46Å; P405-Y407 HydrophobicContact CB-CE1 3.34Å; P405-Y407 HydrophobicContact CB-CE2 4.07Å; P405-Y407 HydrophobicContact CB-CG 4.33Å; P405-Y407 VanDerWaalsContact CB-CZ 3.45Å; P405-Y407 HydrophobicContact CG-CE1 4.2Å; P405-Y407 PolarHBondContact O-N 2.92Å; Y407-F409 VanDerWaalsContact C-N 3.29Å; Y407-P411 WeakPolarHBondContact O-CD 3.34Å |
| 408 | Y | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -75.2 | -14 | 170.2 | -82.6 | -90.6 | 0 | 0 | 0 | 113.4 | W269 P270 P272 Y371 P405 K406 M410 P411 L412 | W269-Y408 HydrophobicContact CE3-CD1 4.37Å; P270-Y408 HydrophobicContact CG-CD1 4.28Å; P270-Y408 HydrophobicContact CG-CE1 3.83Å; P270-Y408 HydrophobicContact CG-CE2 4.43Å; P270-Y408 PolarHBondContact O-OH 3.36Å; P272-Y408 HydrophobicContact CB-CE2 4.43Å; P272-Y408 WeakPolarHBondContact CD-OH 3.36Å; Y371-Y408 HydrophobicContact CD2-CE2 4.23Å; Y371-Y408 HydrophobicContact CG-CE2 4.25Å; P405-Y408 HydrophobicContact CB-CD2 4.05Å; P405-Y408 HydrophobicContact CB-CE2 4.47Å; P405-Y408 HydrophobicContact CG-CD2 4.14Å; P405-Y408 HydrophobicContact CG-CE2 4.22Å; P405-Y408 WeakPolarHBondContact O-CB 3.36Å; P405-Y408 PolarHBondContact O-N 3.48Å; K406-Y408 PolarHBondContact O-N 3.36Å; Y408-M410 VanDerWaalsContact C-N 3.31Å; Y408-M410 PolarHBondContact O-N 2.97Å; Y408-P411 WeakPolarHBondContact O-CD 3.49Å; Y408-L412 WeakPolarHBondContact O-CB 3.49Å; Y408-L412 VanDerWaalsContact O-CG 3.26Å; Y408-L412 WeakPolarHBondContact O-CG 3.44Å; Y408-L412 PolarHBondContact O-N 2.98Å |
| 409 | F | 93.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | -177.1 | -68.4 | 0.6 | 0 | 0 | 0 | 112.4 | L401 I404 K406 Y407 L412 A413 I425 A429 I430 | L401-F409 HydrophobicContact CB-CE1 4.09Å; L401-F409 HydrophobicContact CB-CZ 4.2Å; L401-F409 HydrophobicContact CD2-CD1 3.94Å; L401-F409 HydrophobicContact CD2-CE1 3.75Å; L401-F409 HydrophobicContact CG-CE1 4.43Å; I404-F409 HydrophobicContact CD1-CD1 4.22Å; I404-F409 HydrophobicContact CD1-CE1 4.08Å; I404-F409 HydrophobicContact CG1-CE1 4Å; K406-F409 HydrophobicContact CB-CD2 4.43Å; K406-F409 HydrophobicContact CB-CE2 4.18Å; K406-F409 HydrophobicContact CB-CZ 4.33Å; K406-F409 HydrophobicContact CG-CE2 4.16Å; K406-F409 HydrophobicContact CG-CZ 4.13Å; K406-F409 WeakPolarHBondContact O-CB 3.41Å; K406-F409 WeakPolarHBondContact O-CG 3.18Å; K406-F409 PolarHBondContact O-N 3.23Å; Y407-F409 VanDerWaalsContact C-N 3.29Å; F409-L412 PolarHBondContact O-N 3.49Å; F409-A413 WeakPolarHBondContact O-CB 3.39Å; F409-A413 PolarHBondContact O-N 3.02Å; F409-I425 HydrophobicContact CB-CD1 4.22Å; F409-I425 HydrophobicContact CB-CG2 4.28Å; F409-I425 HydrophobicContact CD2-CG2 4.48Å; F409-I425 WeakPolarHBondContact O-CD1 3.49Å; F409-A429 HydrophobicContact CD2-CB 4.3Å; F409-I430 HydrophobicContact CB-CG1 4.23Å |
| 410 | M | 92 | Very high | 90.4 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 39% | 0.389 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.9 | -52.8 | 177.9 | 174.8 | 70.3 | 83.8 | 0 | 0 | 112.4 | Y408 L412 A413 K414 I430 | Y408-M410 VanDerWaalsContact C-N 3.31Å; Y408-M410 PolarHBondContact O-N 2.97Å; M410-L412 VanDerWaalsContact C-N 3.3Å; M410-L412 PolarHBondContact O-N 3.01Å; M410-A413 PolarHBondContact O-N 2.92Å; M410-K414 WeakPolarHBondContact O-CG 3.26Å; M410-K414 PolarHBondContact O-N 3.08Å; M410-K414 VanDerWaalsContact O-N 3.14Å; M410-K414 HydrophobicContact SD-CD 4.5Å; M410-I430 HydrophobicContact CB-CG2 3.83Å; M410-I430 HydrophobicContact CE-CG2 3.36Å; M410-I430 HydrophobicContact CG-CG2 4.46Å; M410-I430 HydrophobicContact SD-CG2 4.07Å |
| 411 | P | 92.6 | Very high | 89.8 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53 | -43.5 | 170.5 | -32.3 | 37.1 | 0 | 0 | 0 | 114.3 | Y117 S268 W269 Y407 Y408 K414 S415 | Y117-P411 HydrophobicContact CE1-CG 4.5Å; Y117-P411 WeakPolarHBondContact OH-CG 3.49Å; S268-P411 WeakPolarHBondContact O-CB 3.19Å; W269-P411 HydrophobicContact CE3-CB 3.62Å; W269-P411 HydrophobicContact CH2-CB 4.44Å; W269-P411 HydrophobicContact CZ3-CB 3.51Å; Y407-P411 WeakPolarHBondContact O-CD 3.34Å; Y408-P411 WeakPolarHBondContact O-CD 3.49Å; P411-K414 PolarHBondContact O-N 3.14Å; P411-S415 PolarHBondContact O-N 3.08Å |
| 412 | L | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -49 | 179.6 | -76.2 | 170.2 | 0 | 0 | 0 | 111.5 | W269 P370 F376 Y400 L401 I404 Y408 F409 M410 K414 S415 F416 I425 | W269-L412 HydrophobicContact CH2-CD2 3.95Å; W269-L412 HydrophobicContact CH2-CG 4.49Å; W269-L412 HydrophobicContact CZ3-CD2 3.91Å; W269-L412 HydrophobicContact CZ3-CG 4.09Å; P370-L412 HydrophobicContact CB-CD2 4.1Å; P370-L412 HydrophobicContact CG-CD2 4.24Å; F376-L412 HydrophobicContact CD2-CD2 3.98Å; F376-L412 HydrophobicContact CE1-CD2 4.45Å; F376-L412 HydrophobicContact CE2-CD2 3.5Å; F376-L412 HydrophobicContact CZ-CD2 3.77Å; Y400-L412 HydrophobicContact CE1-CD1 4.25Å; L401-L412 HydrophobicContact CD2-CD1 4.3Å; I404-L412 HydrophobicContact CD1-CD1 3.32Å; Y408-L412 WeakPolarHBondContact O-CB 3.49Å; Y408-L412 VanDerWaalsContact O-CG 3.26Å; Y408-L412 WeakPolarHBondContact O-CG 3.44Å; Y408-L412 PolarHBondContact O-N 2.98Å; F409-L412 PolarHBondContact O-N 3.49Å; M410-L412 VanDerWaalsContact C-N 3.3Å; M410-L412 PolarHBondContact O-N 3.01Å; L412-K414 VanDerWaalsContact C-N 3.32Å; L412-K414 PolarHBondContact O-N 3.39Å; L412-S415 WeakPolarHBondContact O-CB 3.44Å; L412-S415 PolarHBondContact O-N 3.22Å; L412-S415 PolarHBondContact O-OG 3.14Å; L412-F416 VanDerWaalsContact O-CD2 3.26Å; L412-F416 WeakPolarHBondContact O-CD2 3.41Å; L412-F416 PolarHBondContact O-N 3.08Å; L412-I425 HydrophobicContact CB-CD1 3.97Å |
| 413 | A | 91.6 | Very high | 89 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.6 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F409 M410 S415 F416 E417 I425 I430 | F409-A413 WeakPolarHBondContact O-CB 3.39Å; F409-A413 PolarHBondContact O-N 3.02Å; M410-A413 PolarHBondContact O-N 2.92Å; A413-S415 VanDerWaalsContact C-N 3.3Å; A413-S415 PolarHBondContact O-N 3.1Å; A413-F416 PolarHBondContact O-N 2.83Å; A413-E417 WeakPolarHBondContact O-CG 3.34Å; A413-E417 PolarHBondContact O-N 3.23Å; A413-I425 HydrophobicContact CB-CB 4.39Å; A413-I425 HydrophobicContact CB-CD1 4.45Å; A413-I430 HydrophobicContact CB-CD1 3.91Å |
| 414 | K | 89.8 | Confident | 88.7 | Confident | 100 Ų | 100 | 42.2 Ų | 42.2 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -34.7 | 175.8 | -71.4 | -178.9 | 176.5 | -178.1 | 0 | 113 | M410 P411 L412 R418 | M410-K414 WeakPolarHBondContact O-CG 3.26Å; M410-K414 PolarHBondContact O-N 3.08Å; M410-K414 VanDerWaalsContact O-N 3.14Å; M410-K414 HydrophobicContact SD-CD 4.5Å; P411-K414 PolarHBondContact O-N 3.14Å; L412-K414 VanDerWaalsContact C-N 3.32Å; L412-K414 PolarHBondContact O-N 3.39Å; K414-R418 WeakPolarHBondContact O-CG 3.37Å; K414-R418 PolarHBondContact O-N 3.09Å |
| 415 | S | 88.2 | Confident | 88.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 176.8 | 75.9 | 0 | 0 | 0 | 0 | 111.9 | W269 P411 L412 A413 R418 I419 | W269-S415 WeakPolarHBondContact CH2-OG 3.36Å; P411-S415 PolarHBondContact O-N 3.08Å; L412-S415 WeakPolarHBondContact O-CB 3.44Å; L412-S415 PolarHBondContact O-N 3.22Å; L412-S415 PolarHBondContact O-OG 3.14Å; A413-S415 VanDerWaalsContact C-N 3.3Å; A413-S415 PolarHBondContact O-N 3.1Å; S415-R418 PolarHBondContact O-N 3.37Å; S415-I419 WeakPolarHBondContact O-CG1 3.36Å; S415-I419 PolarHBondContact O-N 3.44Å |
| 416 | F | 88 | Confident | 88.2 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.3 | -81.5 | -67.7 | 0 | 0 | 0 | 111.7 | F376 L380 I383 F397 L412 A413 R418 I419 G420 F421 M424 | F376-F416 HydrophobicContact CE2-CE1 4.49Å; F376-F416 AromaticContact CE2-CE2 3.69Å; F376-F416 HydrophobicContact CE2-CE2 3.69Å; F376-F416 AromaticContact CE2-CZ 3.53Å; F376-F416 HydrophobicContact CE2-CZ 3.53Å; F376-F416 HydrophobicContact CZ-CE2 4.08Å; F376-F416 AromaticContact CZ-CZ 3.9Å; F376-F416 HydrophobicContact CZ-CZ 3.9Å; L380-F416 HydrophobicContact CD1-CD1 4.48Å; L380-F416 HydrophobicContact CD1-CE1 3.99Å; I383-F416 HydrophobicContact CD1-CE1 4.12Å; F397-F416 AromaticContact CE2-CE2 3.69Å; F397-F416 HydrophobicContact CE2-CE2 3.69Å; F397-F416 AromaticContact CE2-CZ 3.77Å; F397-F416 HydrophobicContact CE2-CZ 3.77Å; F397-F416 AromaticContact CZ-CE2 3.68Å; F397-F416 HydrophobicContact CZ-CE2 3.68Å; F397-F416 HydrophobicContact CZ-CZ 4.1Å; L412-F416 VanDerWaalsContact O-CD2 3.26Å; L412-F416 WeakPolarHBondContact O-CD2 3.41Å; L412-F416 PolarHBondContact O-N 3.08Å; A413-F416 PolarHBondContact O-N 2.83Å; F416-R418 VanDerWaalsContact C-N 3.28Å; F416-R418 PolarHBondContact O-N 2.78Å; F416-I419 CarbonylContact O-C 3.55Å; F416-I419 PolarHBondContact O-N 3.05Å; F416-G420 PolarHBondContact O-N 2.83Å; F416-F421 CarbonylContact C-O 3.2Å; F416-F421 HydrophobicContact CB-CB 4.14Å; F416-F421 WeakPolarHBondContact CB-O 3.28Å; F416-F421 HydrophobicContact CD1-CB 4.21Å; F416-F421 PolarHBondContact O-N 2.91Å; F416-M424 HydrophobicContact CB-CB 4.44Å; F416-M424 HydrophobicContact CB-CG 3.91Å; F416-M424 HydrophobicContact CD1-CG 4.21Å; F416-M424 HydrophobicContact CD2-CB 4.3Å; F416-M424 HydrophobicContact CD2-CG 4.39Å; F416-M424 HydrophobicContact CG-CB 4.35Å; F416-M424 HydrophobicContact CG-CG 3.95Å |
| 417 | E | 86.9 | Confident | 88 | Confident | 112 Ų | 112 | 50.8 Ų | 50.8 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.5 | -40.1 | 174.2 | -77.4 | 174.1 | -177.5 | 0 | 0 | 112.4 | A413 I419 G420 F421 A422 | A413-E417 WeakPolarHBondContact O-CG 3.34Å; A413-E417 PolarHBondContact O-N 3.23Å; E417-I419 VanDerWaalsContact C-N 3.29Å; E417-I419 PolarHBondContact O-N 2.9Å; E417-G420 PolarHBondContact O-N 2.92Å; E417-F421 PolarHBondContact N-O 3.1Å; E417-A422 HydrophobicContact CG-CB 4.22Å |
| 418 | R | 83.9 | Confident | 87.8 | Confident | 147 Ų | 147 | 56.6 Ų | 56.6 | 56% | 0.555 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.6 | -28.7 | 176.7 | -72.5 | 179.6 | -175.5 | 174.2 | 5.1 | 113.6 | K414 S415 F416 G420 | K414-R418 WeakPolarHBondContact O-CG 3.37Å; K414-R418 PolarHBondContact O-N 3.09Å; S415-R418 PolarHBondContact O-N 3.37Å; F416-R418 VanDerWaalsContact C-N 3.28Å; F416-R418 PolarHBondContact O-N 2.78Å; R418-G420 VanDerWaalsContact C-N 3.32Å |
| 419 | I | 84 | Confident | 87.5 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -84.6 | -13.2 | 178.1 | -59.5 | 167.8 | 0 | 0 | 0 | 110.7 | F311 L380 S415 F416 E417 F421 | F311-I419 HydrophobicContact CD2-CD1 4.03Å; L380-I419 HydrophobicContact CD1-CD1 3.83Å; L380-I419 HydrophobicContact CD2-CD1 4.05Å; S415-I419 WeakPolarHBondContact O-CG1 3.36Å; S415-I419 PolarHBondContact O-N 3.44Å; F416-I419 CarbonylContact O-C 3.55Å; F416-I419 PolarHBondContact O-N 3.05Å; E417-I419 VanDerWaalsContact C-N 3.29Å; E417-I419 PolarHBondContact O-N 2.9Å; I419-F421 HydrophobicContact CB-CD2 4.4Å; I419-F421 HydrophobicContact CG2-CD2 3.98Å; I419-F421 HydrophobicContact CG2-CE2 4Å |
| 420 | G | 83.8 | Confident | 87.2 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.9 | 4.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F416 E417 R418 | F416-G420 PolarHBondContact O-N 2.83Å; E417-G420 PolarHBondContact O-N 2.92Å; R418-G420 VanDerWaalsContact C-N 3.32Å |
| 421 | F | 83 | Confident | 86.8 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 19% | 0.193 | 34% | 0.339 | C | S | . | . | trans | -105.3 | 86.4 | -179.5 | -63.6 | -73.8 | 0 | 0 | 0 | 110.3 | I383 F416 E417 I419 M424 | I383-F421 HydrophobicContact CG2-CD1 4.35Å; I383-F421 HydrophobicContact CG2-CD2 4.25Å; I383-F421 HydrophobicContact CG2-CE1 3.62Å; I383-F421 HydrophobicContact CG2-CE2 3.49Å; I383-F421 VanDerWaalsContact CG2-CE2 3.49Å; I383-F421 HydrophobicContact CG2-CZ 3.14Å; F416-F421 CarbonylContact C-O 3.2Å; F416-F421 HydrophobicContact CB-CB 4.14Å; F416-F421 WeakPolarHBondContact CB-O 3.28Å; F416-F421 HydrophobicContact CD1-CB 4.21Å; F416-F421 PolarHBondContact O-N 2.91Å; E417-F421 PolarHBondContact N-O 3.1Å; I419-F421 HydrophobicContact CB-CD2 4.4Å; I419-F421 HydrophobicContact CG2-CD2 3.98Å; I419-F421 HydrophobicContact CG2-CE2 4Å; F421-M424 HydrophobicContact CB-CE 3.87Å; F421-M424 HydrophobicContact CB-CG 3.74Å; F421-M424 HydrophobicContact CB-SD 3.89Å; F421-M424 HydrophobicContact CD1-CE 4.32Å; F421-M424 WeakPolarHBondContact O-CG 3.3Å | ||
| 422 | A | 83.3 | Confident | 86.4 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 149 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E417 M424 | E417-A422 HydrophobicContact CG-CB 4.22Å; A422-M424 VanDerWaalsContact C-N 3.3Å; A422-M424 WeakPolarHBondContact O-CE 3.46Å; A422-M424 PolarHBondContact O-N 2.94Å |
| 423 | G | 82.1 | Confident | 86 | Confident | 59 Ų | 59 | 69 Ų | 69 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 15.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116 | I425 | G423-I425 PolarHBondContact O-N 3.35Š|
| 424 | M | 84 | Confident | 85.6 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -59.2 | -32.9 | 178.3 | -63.6 | -64.3 | 110.4 | 0 | 0 | 113 | M389 F416 F421 A422 | M389-M424 HydrophobicContact CE-CE 3.94Å; M389-M424 HydrophobicContact CE-SD 3.27Å; M389-M424 WeakPolarHBondContact CE-SD 3.46Å; M389-M424 HydrophobicContact SD-CE 3.83Å; M389-M424 HydrophobicContact SD-SD 3.82Å; F416-M424 HydrophobicContact CB-CB 4.44Å; F416-M424 HydrophobicContact CB-CG 3.91Å; F416-M424 HydrophobicContact CD1-CG 4.21Å; F416-M424 HydrophobicContact CD2-CB 4.3Å; F416-M424 HydrophobicContact CD2-CG 4.39Å; F416-M424 HydrophobicContact CG-CB 4.35Å; F416-M424 HydrophobicContact CG-CG 3.95Å; F421-M424 HydrophobicContact CB-CE 3.87Å; F421-M424 HydrophobicContact CB-CG 3.74Å; F421-M424 HydrophobicContact CB-SD 3.89Å; F421-M424 HydrophobicContact CD1-CE 4.32Å; F421-M424 WeakPolarHBondContact O-CG 3.3Å; A422-M424 VanDerWaalsContact C-N 3.3Å; A422-M424 WeakPolarHBondContact O-CE 3.46Å; A422-M424 PolarHBondContact O-N 2.94Å |
| 425 | I | 88.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 5% | 0.046 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -117.6 | 124.3 | 176.1 | -58 | 173.6 | 0 | 0 | 0 | 107.3 | F397 L401 F409 L412 A413 G423 A429 I430 | F397-I425 HydrophobicContact CE1-CG1 4.31Å; F397-I425 HydrophobicContact CZ-CD1 4.39Å; F397-I425 HydrophobicContact CZ-CG1 4.22Å; L401-I425 HydrophobicContact CD1-CG1 4.4Å; L401-I425 HydrophobicContact CD2-CD1 4.13Å; F409-I425 HydrophobicContact CB-CD1 4.22Å; F409-I425 HydrophobicContact CB-CG2 4.28Å; F409-I425 HydrophobicContact CD2-CG2 4.48Å; F409-I425 WeakPolarHBondContact O-CD1 3.49Å; L412-I425 HydrophobicContact CB-CD1 3.97Å; A413-I425 HydrophobicContact CB-CB 4.39Å; A413-I425 HydrophobicContact CB-CD1 4.45Å; G423-I425 PolarHBondContact O-N 3.35Å; I425-A429 HydrophobicContact CG2-CB 4.11Å; I425-I430 HydrophobicContact CG2-CD1 4.34Å; I425-I430 HydrophobicContact CG2-CG1 3.93Å |
| 426 | K | 87.3 | Confident | 85.3 | Confident | 154 Ų | 154 | 75.1 Ų | 75.1 | 67% | 0.67 | 40% | 0.397 | S | S | * | . | trans | -61.2 | 137.7 | 179.7 | -64.3 | -176.7 | -178.9 | -179.7 | 0 | 110.4 | E428 A429 | K426-E428 PolarHBondContact O-N 3.42Å; K426-E428 VanDerWaalsContact O-N 3.13Å; K426-A429 WeakPolarHBondContact O-CB 3.33Å; K426-A429 PolarHBondContact O-N 3.04Å | ||
| 427 | P | 87.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -53.4 | -34.9 | 177.4 | -28.1 | 35.1 | 0 | 0 | 0 | 113.7 | A429 I430 D431 | P427-A429 VanDerWaalsContact C-N 3.28Å; P427-A429 PolarHBondContact O-N 3Å; P427-I430 WeakPolarHBondContact O-CB 3.17Å; P427-I430 PolarHBondContact O-N 3.27Å; P427-D431 PolarHBondContact O-N 3.45Å |
| 428 | E | 87.2 | Confident | 85.1 | Confident | 127 Ų | 127 | 76.8 Ų | 76.8 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.9 | -36 | 176.7 | -62.6 | 176.9 | -168.6 | 0 | 0 | 113.4 | K426 I430 R432 | K426-E428 PolarHBondContact O-N 3.42Å; K426-E428 VanDerWaalsContact O-N 3.13Å; E428-I430 VanDerWaalsContact C-N 3.32Å; E428-R432 WeakPolarHBondContact O-CB 3.43Å; E428-R432 VanDerWaalsContact O-CG 3.23Å; E428-R432 WeakPolarHBondContact O-CG 3.18Å; E428-R432 PolarHBondContact O-N 3.12Å; E428-R432 VanDerWaalsContact O-N 3.17Å |
| 429 | A | 87.5 | Confident | 85.3 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 31% | 0.306 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F409 I425 K426 P427 A433 | F409-A429 HydrophobicContact CD2-CB 4.3Å; I425-A429 HydrophobicContact CG2-CB 4.11Å; K426-A429 WeakPolarHBondContact O-CB 3.33Å; K426-A429 PolarHBondContact O-N 3.04Å; P427-A429 VanDerWaalsContact C-N 3.28Å; P427-A429 PolarHBondContact O-N 3Å; A429-A433 PolarHBondContact O-N 2.84Å |
| 430 | I | 87.3 | Confident | 85.5 | Confident | 26 Ų | 26 | 76 Ų | 76 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.2 | -43.7 | 177.1 | -60.6 | 173.6 | 0 | 0 | 0 | 110.5 | F409 M410 A413 I425 P427 E428 R432 A433 | F409-I430 HydrophobicContact CB-CG1 4.23Å; M410-I430 HydrophobicContact CB-CG2 3.83Å; M410-I430 HydrophobicContact CE-CG2 3.36Å; M410-I430 HydrophobicContact CG-CG2 4.46Å; M410-I430 HydrophobicContact SD-CG2 4.07Å; A413-I430 HydrophobicContact CB-CD1 3.91Å; I425-I430 HydrophobicContact CG2-CD1 4.34Å; I425-I430 HydrophobicContact CG2-CG1 3.93Å; P427-I430 WeakPolarHBondContact O-CB 3.17Å; P427-I430 PolarHBondContact O-N 3.27Å; E428-I430 VanDerWaalsContact C-N 3.32Å; I430-R432 VanDerWaalsContact C-N 3.25Å; I430-R432 PolarHBondContact O-N 3Å; I430-A433 WeakPolarHBondContact O-CB 3.33Å; I430-A433 PolarHBondContact O-N 2.72Å; I430-A433 VanDerWaalsContact O-N 3.1Å |
| 431 | D | 84.9 | Confident | 85.5 | Confident | 116 Ų | 116 | 75.8 Ų | 75.8 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.4 | -30.4 | 178.4 | -77.9 | -26.4 | 0 | 0 | 0 | 112.7 | P427 A433 | P427-D431 PolarHBondContact O-N 3.45Å; D431-A433 VanDerWaalsContact C-N 3.29Å |
| 432 | R | 82.8 | Confident | 85.7 | Confident | 183 Ų | 183 | 75.3 Ų | 75.3 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.4 | 175.3 | -68 | 177.5 | -172.3 | -175.4 | 6.3 | 114 | E428 I430 L434 | E428-R432 WeakPolarHBondContact O-CB 3.43Å; E428-R432 VanDerWaalsContact O-CG 3.23Å; E428-R432 WeakPolarHBondContact O-CG 3.18Å; E428-R432 PolarHBondContact O-N 3.12Å; E428-R432 VanDerWaalsContact O-N 3.17Å; I430-R432 VanDerWaalsContact C-N 3.25Å; I430-R432 PolarHBondContact O-N 3Å; R432-L434 PolarHBondContact O-N 2.87Å |
| 433 | A | 83.7 | Confident | 86 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 5% | 0.05 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M114 K406 A429 I430 D431 | M114-A433 HydrophobicContact CE-CB 4.46Å; K406-A433 HydrophobicContact CB-CB 4.2Å; A429-A433 PolarHBondContact O-N 2.84Å; I430-A433 WeakPolarHBondContact O-CB 3.33Å; I430-A433 PolarHBondContact O-N 2.72Å; I430-A433 VanDerWaalsContact O-N 3.1Å; D431-A433 VanDerWaalsContact C-N 3.29Å |
| 434 | L | 84.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -124.7 | 126.6 | 175.3 | -164.9 | 72.6 | 0 | 0 | 0 | 109.9 | M114 R432 L438 K439 L442 | M114-L434 HydrophobicContact CG-CD1 4.49Å; M114-L434 HydrophobicContact SD-CB 3.95Å; M114-L434 HydrophobicContact SD-CD1 4.09Å; M114-L434 HydrophobicContact SD-CG 4.42Å; R432-L434 PolarHBondContact O-N 2.87Å; L434-L438 HydrophobicContact CD1-CD2 3.45Å; L434-L438 VanDerWaalsContact CD1-CD2 3.45Å; L434-L438 HydrophobicContact CD1-CG 4.04Å; L434-L438 HydrophobicContact CD2-CG 4.47Å; L434-L438 HydrophobicContact CG-CB 4.48Å; L434-L438 HydrophobicContact CG-CD2 4.15Å; L434-L438 HydrophobicContact CG-CG 4.27Å; L434-K439 HydrophobicContact CD2-CB 4.05Å; L434-L442 HydrophobicContact CD2-CD1 4.25Å |
| 435 | P | 85 | Confident | 86.4 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | trans | -57 | 143.6 | 176.8 | -28.4 | 36.9 | 0 | 0 | 0 | 112.9 | L282 Q437 L438 K439 | L282-P435 HydrophobicContact CB-CG 3.57Å; L282-P435 HydrophobicContact CD1-CG 4.25Å; P435-Q437 VanDerWaalsContact C-N 3.3Å; P435-Q437 PolarHBondContact O-N 2.93Å; P435-L438 PolarHBondContact O-N 3.45Å; P435-K439 PolarHBondContact O-N 3.16Å | ||
| 436 | Y | 85.6 | Confident | 86.4 | Confident | 184 Ų | 184 | 85.8 Ų | 85.8 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55.7 | -42.5 | -177.7 | 174.9 | -96.8 | 0 | 0 | 0 | 113 | L438 K439 H440 | Y436-L438 VanDerWaalsContact C-N 3.34Å; Y436-L438 PolarHBondContact O-N 3.4Å; Y436-K439 PolarHBondContact O-N 3.41Å; Y436-H440 WeakPolarHBondContact O-CB 3.44Å; Y436-H440 PolarHBondContact O-N 3.38Å |
| 437 | Q | 86.4 | Confident | 86.6 | Confident | 132 Ų | 132 | 84.6 Ų | 84.6 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 179.7 | -69.3 | 176.2 | -24.3 | 0 | 0 | 112 | P435 H440 S441 | P435-Q437 VanDerWaalsContact C-N 3.3Å; P435-Q437 PolarHBondContact O-N 2.93Å; Q437-H440 PolarHBondContact O-N 3.01Å; Q437-S441 PolarHBondContact O-N 2.86Å |
| 438 | L | 85.4 | Confident | 86.7 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 178 | -179.7 | 56.9 | 0 | 0 | 0 | 111.6 | L282 L286 L434 P435 Y436 H440 S441 L442 | L282-L438 HydrophobicContact CB-CD2 4.47Å; L282-L438 HydrophobicContact CD2-CD2 4.11Å; L286-L438 HydrophobicContact CD1-CD1 3.81Å; L286-L438 HydrophobicContact CD1-CD2 3.89Å; L286-L438 HydrophobicContact CD1-CG 4.4Å; L286-L438 HydrophobicContact CD2-CD2 3.92Å; L286-L438 HydrophobicContact CG-CD1 4.02Å; L286-L438 HydrophobicContact CG-CD2 3.9Å; L434-L438 HydrophobicContact CD1-CD2 3.45Å; L434-L438 VanDerWaalsContact CD1-CD2 3.45Å; L434-L438 HydrophobicContact CD1-CG 4.04Å; L434-L438 HydrophobicContact CD2-CG 4.47Å; L434-L438 HydrophobicContact CG-CB 4.48Å; L434-L438 HydrophobicContact CG-CD2 4.15Å; L434-L438 HydrophobicContact CG-CG 4.27Å; P435-L438 PolarHBondContact O-N 3.45Å; Y436-L438 VanDerWaalsContact C-N 3.34Å; Y436-L438 PolarHBondContact O-N 3.4Å; L438-H440 VanDerWaalsContact C-N 3.28Å; L438-H440 PolarHBondContact O-N 2.91Å; L438-S441 PolarHBondContact O-N 2.96Å; L438-S441 PolarHBondContact O-OG 3.25Å; L438-L442 HydrophobicContact CD1-CD1 4.29Å; L438-L442 HydrophobicContact CD1-CG 4.19Å; L438-L442 HydrophobicContact CG-CD1 4.29Å; L438-L442 VanDerWaalsContact O-CG 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.3Å; L438-L442 PolarHBondContact O-N 3.1Å |
| 439 | K | 86.9 | Confident | 86.7 | Confident | 97 Ų | 97 | 77 Ų | 77 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.4 | -44.4 | 173.8 | -172.6 | 176 | -180 | 176.1 | 0 | 111.4 | L434 P435 Y436 Q443 | L434-K439 HydrophobicContact CD2-CB 4.05Å; P435-K439 PolarHBondContact O-N 3.16Å; Y436-K439 PolarHBondContact O-N 3.41Å; K439-Q443 WeakPolarHBondContact O-CB 3.23Å; K439-Q443 VanDerWaalsContact O-CG 3.28Å; K439-Q443 WeakPolarHBondContact O-CG 3.36Å; K439-Q443 PolarHBondContact O-N 3.06Å |
| 440 | H | 88.1 | Confident | 86.8 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.1 | -39.2 | 178.9 | 176.7 | -113.8 | 0 | 0 | 0 | 112.9 | Y436 Q437 L438 Q443 K444 | Y436-H440 WeakPolarHBondContact O-CB 3.44Å; Y436-H440 PolarHBondContact O-N 3.38Å; Q437-H440 PolarHBondContact O-N 3.01Å; L438-H440 VanDerWaalsContact C-N 3.28Å; L438-H440 PolarHBondContact O-N 2.91Å; H440-Q443 PolarHBondContact O-N 2.96Å; H440-K444 WeakPolarHBondContact CE1-CE 3.17Å; H440-K444 PolarHBondContact CE1-NZ 3.08Å; H440-K444 WeakPolarHBondContact NE2-CE 3.49Å; H440-K444 PolarHBondContact O-N 2.88Å |
| 441 | S | 85.5 | Confident | 86.9 | Confident | 57 Ų | 57 | 81.8 Ų | 81.8 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 176.5 | 69.4 | 0 | 0 | 0 | 0 | 112 | Q437 L438 Q443 K444 L445 | Q437-S441 PolarHBondContact O-N 2.86Å; L438-S441 PolarHBondContact O-N 2.96Å; L438-S441 PolarHBondContact O-OG 3.25Å; S441-Q443 VanDerWaalsContact C-N 3.35Å; S441-Q443 PolarHBondContact O-N 3.14Å; S441-K444 PolarHBondContact O-N 2.86Å; S441-L445 WeakPolarHBondContact O-CB 3.44Å; S441-L445 PolarHBondContact O-N 3.33Å |
| 442 | L | 87.5 | Confident | 87 | Confident | 34 Ų | 34 | 78.3 Ų | 78.3 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 174.6 | -66 | 177.4 | 0 | 0 | 0 | 112.2 | Y112 L160 L434 L438 L445 R446 | Y112-L442 HydrophobicContact CD2-CD2 4Å; L160-L442 HydrophobicContact CD1-CD2 3.76Å; L434-L442 HydrophobicContact CD2-CD1 4.25Å; L438-L442 HydrophobicContact CD1-CD1 4.29Å; L438-L442 HydrophobicContact CD1-CG 4.19Å; L438-L442 HydrophobicContact CG-CD1 4.29Å; L438-L442 VanDerWaalsContact O-CG 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.3Å; L438-L442 PolarHBondContact O-N 3.1Å; L442-L445 PolarHBondContact O-N 3.24Å; L442-R446 PolarHBondContact O-N 2.87Å |
| 443 | Q | 88.5 | Confident | 87.2 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 174 | -77.4 | 176 | -12.6 | 0 | 0 | 112.5 | K439 H440 S441 L445 R446 H447 | K439-Q443 WeakPolarHBondContact O-CB 3.23Å; K439-Q443 VanDerWaalsContact O-CG 3.28Å; K439-Q443 WeakPolarHBondContact O-CG 3.36Å; K439-Q443 PolarHBondContact O-N 3.06Å; H440-Q443 PolarHBondContact O-N 2.96Å; S441-Q443 VanDerWaalsContact C-N 3.35Å; S441-Q443 PolarHBondContact O-N 3.14Å; Q443-L445 VanDerWaalsContact C-N 3.32Å; Q443-L445 PolarHBondContact O-N 3.12Å; Q443-R446 PolarHBondContact O-N 3.5Å; Q443-H447 PolarHBondContact O-N 3.05Å |
| 444 | K | 89.1 | Confident | 87.4 | Confident | 130 Ų | 130 | 73.6 Ų | 73.6 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 173.6 | -79.8 | -178.8 | 165.9 | 179.2 | 0 | 111.6 | H440 S441 R446 H447 S448 | H440-K444 WeakPolarHBondContact CE1-CE 3.17Å; H440-K444 PolarHBondContact CE1-NZ 3.08Å; H440-K444 WeakPolarHBondContact NE2-CE 3.49Å; H440-K444 PolarHBondContact O-N 2.88Å; S441-K444 PolarHBondContact O-N 2.86Å; K444-R446 PolarHBondContact O-N 2.76Å; K444-H447 PolarHBondContact O-N 2.76Å; K444-S448 PolarHBondContact O-N 2.84Å |
| 445 | L | 86 | Confident | 87.5 | Confident | 39 Ų | 39 | 75.5 Ų | 75.5 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 177.2 | -178.4 | 64.1 | 0 | 0 | 0 | 111.4 | L105 L160 S441 L442 Q443 H447 S448 A449 | L105-L445 HydrophobicContact CD1-CD2 4.11Å; L105-L445 HydrophobicContact CD1-CG 4.18Å; L105-L445 HydrophobicContact CD2-CD1 3.82Å; L105-L445 HydrophobicContact CD2-CD2 3.96Å; L105-L445 HydrophobicContact CD2-CG 3.51Å; L105-L445 HydrophobicContact CG-CG 4.28Å; L160-L445 HydrophobicContact CD1-CD2 4.21Å; S441-L445 WeakPolarHBondContact O-CB 3.44Å; S441-L445 PolarHBondContact O-N 3.33Å; L442-L445 PolarHBondContact O-N 3.24Å; Q443-L445 VanDerWaalsContact C-N 3.32Å; Q443-L445 PolarHBondContact O-N 3.12Å; L445-H447 PolarHBondContact O-N 3.43Å; L445-S448 PolarHBondContact O-N 2.77Å; L445-A449 PolarHBondContact O-N 2.86Å |
| 446 | R | 88.8 | Confident | 87.4 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 48% | 0.475 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.5 | 179.9 | 174.8 | -177.6 | -172.7 | 1 | 112.6 | Q106 L442 Q443 K444 A449 K450 | Q106-R446 PolarHBondContact O-NE 3.43Å; Q106-R446 PolarHBondContact O-NH2 2.99Å; L442-R446 PolarHBondContact O-N 2.87Å; Q443-R446 PolarHBondContact O-N 3.5Å; K444-R446 PolarHBondContact O-N 2.76Å; R446-A449 WeakPolarHBondContact O-CB 3.1Å; R446-A449 PolarHBondContact O-N 2.74Å; R446-K450 PolarHBondContact O-N 3.44Å |
| 447 | H | 90.6 | Very high | 87.3 | Confident | 129 Ų | 129 | 67 Ų | 67 | 60% | 0.597 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 177.2 | -177.9 | 74.2 | 0 | 0 | 0 | 111.5 | Q443 K444 L445 A449 K450 V451 | Q443-H447 PolarHBondContact O-N 3.05Å; K444-H447 PolarHBondContact O-N 2.76Å; L445-H447 PolarHBondContact O-N 3.43Å; H447-A449 VanDerWaalsContact C-N 3.27Å; H447-A449 PolarHBondContact O-N 3.04Å; H447-K450 WeakPolarHBondContact O-CB 3.42Å; H447-K450 PolarHBondContact O-N 3.39Å; H447-K450 VanDerWaalsContact O-N 3.14Å; H447-V451 PolarHBondContact O-N 2.84Å; H447-V451 VanDerWaalsContact O-N 3.08Å |
| 448 | S | 88.8 | Confident | 87 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 174.2 | -169 | 0 | 0 | 0 | 0 | 111.5 | K444 L445 K450 V451 E452 | K444-S448 PolarHBondContact O-N 2.84Å; L445-S448 PolarHBondContact O-N 2.77Å; S448-K450 VanDerWaalsContact C-N 3.34Å; S448-K450 PolarHBondContact O-N 3.32Å; S448-V451 PolarHBondContact O-N 3.41Å; S448-E452 PolarHBondContact O-N 3.31Å |
| 449 | A | 87.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L105 Q106 L156 L445 R446 H447 E452 Y453 | L105-A449 HydrophobicContact CB-CB 3.85Å; L105-A449 HydrophobicContact CD2-CB 3.85Å; L105-A449 HydrophobicContact CG-CB 3.73Å; Q106-A449 HydrophobicContact CB-CB 4.15Å; L156-A449 HydrophobicContact CD2-CB 3.22Å; L156-A449 HydrophobicContact CG-CB 3.93Å; L445-A449 PolarHBondContact O-N 2.86Å; R446-A449 WeakPolarHBondContact O-CB 3.1Å; R446-A449 PolarHBondContact O-N 2.74Å; H447-A449 VanDerWaalsContact C-N 3.27Å; H447-A449 PolarHBondContact O-N 3.04Å; A449-E452 PolarHBondContact O-N 2.92Å; A449-Y453 WeakPolarHBondContact O-CB 2.9Å; A449-Y453 PolarHBondContact O-N 3.47Å |
| 450 | K | 90.2 | Very high | 86.1 | Confident | 97 Ų | 97 | 68 Ų | 68 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.8 | -173.8 | 179.5 | 178 | -178.4 | 0 | 111.6 | Q106 R446 H447 S448 Y453 D454 | Q106-K450 HydrophobicContact CB-CB 4.2Å; R446-K450 PolarHBondContact O-N 3.44Å; H447-K450 WeakPolarHBondContact O-CB 3.42Å; H447-K450 PolarHBondContact O-N 3.39Å; H447-K450 VanDerWaalsContact O-N 3.14Å; S448-K450 VanDerWaalsContact C-N 3.34Å; S448-K450 PolarHBondContact O-N 3.32Å; K450-Y453 WeakPolarHBondContact O-CB 3.3Å; K450-Y453 PolarHBondContact O-N 2.93Å; K450-D454 PolarHBondContact O-N 2.8Å |
| 451 | V | 89.8 | Confident | 85.3 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 39% | 0.394 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | H447 S448 D454 N455 | H447-V451 PolarHBondContact O-N 2.84Å; H447-V451 VanDerWaalsContact O-N 3.08Å; S448-V451 PolarHBondContact O-N 3.41Å; V451-D454 PolarHBondContact O-N 2.84Å; V451-N455 WeakPolarHBondContact O-CB 3.29Å; V451-N455 PolarHBondContact O-N 3.43Å; V451-N455 PolarHBondContact O-ND2 2.91Å |
| 452 | E | 86.5 | Confident | 84.1 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.9 | -174.5 | 168.6 | 164.4 | 0 | 0 | 112.2 | R98 V102 L156 S448 A449 N455 F456 | R98-E452 IonicContact CZ-OE1 2.89Å; R98-E452 VanDerWaalsContact CZ-OE1 3.25Å; R98-E452 IonicContact NE-OE1 2.8Å; R98-E452 PolarHBondContact NE-OE1 2.86Å; R98-E452 IonicContact NH2-OE1 3.99Å; R98-E452 PolarHBondContact NH2-OE1 3.07Å; R98-E452 IonicContact NH2-OE2 3.98Å; V102-E452 HydrophobicContact CG1-CB 4.33Å; V102-E452 HydrophobicContact CG1-CG 4.37Å; V102-E452 HydrophobicContact CG2-CG 4.27Å; L156-E452 HydrophobicContact CD1-CB 4.45Å; L156-E452 WeakPolarHBondContact CD1-OE2 3.49Å; S448-E452 PolarHBondContact O-N 3.31Å; A449-E452 PolarHBondContact O-N 2.92Å; E452-N455 WeakPolarHBondContact O-CB 3.21Å; E452-N455 PolarHBondContact O-N 3.45Å; E452-F456 WeakPolarHBondContact O-CB 3.22Å; E452-F456 PolarHBondContact O-N 3.2Å |
| 453 | Y | 87.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 174.1 | 177.4 | -96.1 | 0 | 0 | 0 | 111.8 | W65 N103 Q106 A449 K450 N455 F456 V457 | W65-Y453 AromaticContact CD2-CE2 3.94Å; W65-Y453 HydrophobicContact CD2-CE2 3.94Å; W65-Y453 HydrophobicContact CE3-CE2 4.33Å; W65-Y453 HydrophobicContact CG-CE2 4.14Å; N103-Y453 HydrophobicContact CB-CD2 4.45Å; N103-Y453 HydrophobicContact CB-CE2 4.43Å; N103-Y453 VanDerWaalsContact OD1-CE2 3.27Å; N103-Y453 WeakPolarHBondContact OD1-CE2 3.49Å; Q106-Y453 HydrophobicContact CG-CD2 4.33Å; Q106-Y453 HydrophobicContact CG-CG 4.13Å; Q106-Y453 VanDerWaalsContact NE2-CZ 3.35Å; A449-Y453 WeakPolarHBondContact O-CB 2.9Å; A449-Y453 PolarHBondContact O-N 3.47Å; K450-Y453 WeakPolarHBondContact O-CB 3.3Å; K450-Y453 PolarHBondContact O-N 2.93Å; Y453-N455 VanDerWaalsContact C-N 3.32Å; Y453-N455 PolarHBondContact O-N 3.27Å; Y453-F456 PolarHBondContact O-N 3.02Å; Y453-V457 HydrophobicContact CD1-CG2 4.3Å; Y453-V457 HydrophobicContact CE1-CG2 3.89Å; Y453-V457 HydrophobicContact CE2-CG2 4.23Å; Y453-V457 WeakPolarHBondContact O-CG2 3.36Å; Y453-V457 PolarHBondContact O-N 3.17Å |
| 454 | D | 87.9 | Confident | 80.4 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 35% | 0.348 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 179.2 | -72.6 | -27.5 | 0 | 0 | 0 | 111.5 | K450 V451 R458 | K450-D454 PolarHBondContact O-N 2.8Å; V451-D454 PolarHBondContact O-N 2.84Å; D454-R458 VanDerWaalsContact O-CG 3.32Å; D454-R458 WeakPolarHBondContact O-CG 3.42Å; D454-R458 PolarHBondContact O-N 2.99Å |
| 455 | N | 85.9 | Confident | 78.6 | Confident | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 171.8 | -73.5 | -20.7 | 0 | 0 | 0 | 111.7 | V451 E452 Y453 V457 R458 M459 | V451-N455 WeakPolarHBondContact O-CB 3.29Å; V451-N455 PolarHBondContact O-N 3.43Å; V451-N455 PolarHBondContact O-ND2 2.91Å; E452-N455 WeakPolarHBondContact O-CB 3.21Å; E452-N455 PolarHBondContact O-N 3.45Å; Y453-N455 VanDerWaalsContact C-N 3.32Å; Y453-N455 PolarHBondContact O-N 3.27Å; N455-V457 PolarHBondContact O-N 2.9Å; N455-R458 PolarHBondContact O-N 3.4Å; N455-R458 PolarHBondContact OD1-NH2 3.31Å; N455-M459 WeakPolarHBondContact O-CB 3.47Å; N455-M459 VanDerWaalsContact O-CG 3.26Å; N455-M459 WeakPolarHBondContact O-CG 3.16Å; N455-M459 PolarHBondContact O-N 3.15Å |
| 456 | F | 83 | Confident | 76.8 | Confident | 31 Ų | 31 | 76 Ų | 76 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 179.5 | -179.2 | -98.4 | 0 | 0 | 0 | 111.6 | Y59 V60 W65 M99 E452 Y453 R458 M459 T460 | Y59-F456 HydrophobicContact CE1-CE2 4.46Å; Y59-F456 WeakPolarHBondContact OH-CE2 3.48Å; V60-F456 HydrophobicContact CG1-CZ 4.37Å; V60-F456 HydrophobicContact CG2-CE2 3.78Å; V60-F456 HydrophobicContact CG2-CZ 3.58Å; W65-F456 AromaticContact NE1-CE1 3.95Å; M99-F456 HydrophobicContact CG-CE1 3.97Å; M99-F456 HydrophobicContact CG-CZ 3.9Å; M99-F456 HydrophobicContact SD-CE1 3.98Å; M99-F456 HydrophobicContact SD-CZ 3.77Å; E452-F456 WeakPolarHBondContact O-CB 3.22Å; E452-F456 PolarHBondContact O-N 3.2Å; Y453-F456 PolarHBondContact O-N 3.02Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-R458 PolarHBondContact O-N 2.78Å; F456-M459 PolarHBondContact O-N 2.93Å; F456-T460 HydrophobicContact CD1-CG2 4.47Å; F456-T460 HydrophobicContact CE1-CG2 4.13Å; F456-T460 HydrophobicContact CE2-CG2 4.39Å; F456-T460 HydrophobicContact CZ-CG2 4.1Å; F456-T460 WeakPolarHBondContact O-CG2 3.49Å; F456-T460 PolarHBondContact O-N 3.44Å; F456-T460 PolarHBondContact O-OG1 3.4Å |
| 457 | V | 82.7 | Confident | 74.8 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | K66 Y453 N455 T460 Q461 | K66-V457 HydrophobicContact CD-CG1 4.24Å; Y453-V457 HydrophobicContact CD1-CG2 4.3Å; Y453-V457 HydrophobicContact CE1-CG2 3.89Å; Y453-V457 HydrophobicContact CE2-CG2 4.23Å; Y453-V457 WeakPolarHBondContact O-CG2 3.36Å; Y453-V457 PolarHBondContact O-N 3.17Å; N455-V457 PolarHBondContact O-N 2.9Å; V457-T460 PolarHBondContact O-OG1 2.97Å; V457-Q461 WeakPolarHBondContact O-CG 3.23Å; V457-Q461 PolarHBondContact O-N 3.39Å |
| 458 | R | 81.5 | Confident | 72.8 | Confident | 153 Ų | 153 | 73.4 Ų | 73.4 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.6 | -46.6 | 175.8 | -75.4 | -172.4 | -66.9 | -159.6 | 3.5 | 111.7 | D454 N455 F456 T460 Q461 T462 | D454-R458 VanDerWaalsContact O-CG 3.32Å; D454-R458 WeakPolarHBondContact O-CG 3.42Å; D454-R458 PolarHBondContact O-N 2.99Å; N455-R458 PolarHBondContact O-N 3.4Å; N455-R458 PolarHBondContact OD1-NH2 3.31Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-R458 PolarHBondContact O-N 2.78Å; R458-T460 VanDerWaalsContact C-N 3.28Å; R458-T460 PolarHBondContact O-N 3.06Å; R458-Q461 PolarHBondContact O-N 3.27Å; R458-Q461 VanDerWaalsContact O-N 3.13Å; R458-T462 PolarHBondContact O-N 2.93Å; R458-T462 PolarHBondContact O-OG1 3.01Å |
| 459 | M | 77.3 | Confident | 71 | Confident | 87 Ų | 87 | 74 Ų | 74 | 43% | 0.429 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 179.9 | -74 | 164.7 | 104.2 | 0 | 0 | 112.4 | I57 N455 F456 Q461 T462 | I57-M459 HydrophobicContact CD1-CB 3.81Å; I57-M459 HydrophobicContact CD1-CE 3.4Å; I57-M459 VanDerWaalsContact CD1-CE 3.4Å; I57-M459 HydrophobicContact CD1-CG 3.9Å; I57-M459 HydrophobicContact CD1-SD 4.32Å; I57-M459 HydrophobicContact CG1-CB 4.03Å; I57-M459 HydrophobicContact CG1-CE 3.54Å; I57-M459 HydrophobicContact CG1-CG 4.36Å; I57-M459 HydrophobicContact CG1-SD 4.36Å; I57-M459 HydrophobicContact CG2-CB 4Å; N455-M459 WeakPolarHBondContact O-CB 3.47Å; N455-M459 VanDerWaalsContact O-CG 3.26Å; N455-M459 WeakPolarHBondContact O-CG 3.16Å; N455-M459 PolarHBondContact O-N 3.15Å; F456-M459 PolarHBondContact O-N 2.93Å; M459-Q461 VanDerWaalsContact C-N 3.33Å; M459-T462 PolarHBondContact O-OG1 3.35Å |
| 460 | T | 75.9 | Confident | 69.4 | Low | 29 Ų | 29 | 77.8 Ų | 77.8 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -76.7 | -16.9 | 179.1 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | I57 V60 T63 F456 V457 R458 | I57-T460 HydrophobicContact CG2-CG2 4.41Å; V60-T460 HydrophobicContact CB-CG2 4.09Å; V60-T460 HydrophobicContact CG1-CG2 3.91Å; V60-T460 HydrophobicContact CG2-CG2 4.27Å; T63-T460 HydrophobicContact CG2-CG2 3.86Å; F456-T460 HydrophobicContact CD1-CG2 4.47Å; F456-T460 HydrophobicContact CE1-CG2 4.13Å; F456-T460 HydrophobicContact CE2-CG2 4.39Å; F456-T460 HydrophobicContact CZ-CG2 4.1Å; F456-T460 WeakPolarHBondContact O-CG2 3.49Å; F456-T460 PolarHBondContact O-N 3.44Å; F456-T460 PolarHBondContact O-OG1 3.4Å; V457-T460 PolarHBondContact O-OG1 2.97Å; R458-T460 VanDerWaalsContact C-N 3.28Å; R458-T460 PolarHBondContact O-N 3.06Å |
| 461 | Q | 70.8 | Confident | 67.8 | Low | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -90.2 | -25.9 | 178.1 | -72 | 179 | -14.3 | 0 | 0 | 112.6 | V457 R458 M459 D463 | V457-Q461 WeakPolarHBondContact O-CG 3.23Å; V457-Q461 PolarHBondContact O-N 3.39Å; R458-Q461 PolarHBondContact O-N 3.27Å; R458-Q461 VanDerWaalsContact O-N 3.13Å; M459-Q461 VanDerWaalsContact C-N 3.33Å; Q461-D463 PolarHBondContact O-N 3.02Å |
| 462 | T | 60.5 | Low | 66.3 | Low | 84 Ų | 84 | 77.5 Ų | 77.5 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | trans | -86.3 | 95.9 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | R458 M459 S464 | R458-T462 PolarHBondContact O-N 2.93Å; R458-T462 PolarHBondContact O-OG1 3.01Å; M459-T462 PolarHBondContact O-OG1 3.35Å; T462-S464 PolarHBondContact O-N 3.34Å | ||
| 463 | D | 53.7 | Low | 65 | Low | 154 Ų | 154 | 79.2 Ų | 79.2 | 82% | 0.824 | 45% | 0.445 | S | S | * | . | trans | -64.2 | 20.8 | 176.6 | -93.1 | -20.6 | 0 | 0 | 0 | 115 | Q461 P465 | Q461-D463 PolarHBondContact O-N 3.02Å; D463-P465 WeakPolarHBondContact O-CD 3.39Å | ||
| 464 | S | 44.9 | Very low | 63.8 | Low | 90 Ų | 90 | 81.5 Ų | 81.5 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | trans | -79.6 | 110.4 | 176.2 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | T462 S466 | T462-S464 PolarHBondContact O-N 3.34Å; S464-S466 PolarHBondContact O-N 3.27Å; S464-S466 VanDerWaalsContact O-N 3.13Å | ||
| 465 | P | 51 | Low | 63 | Low | 79 Ų | 79 | 83.1 Ų | 83.1 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | trans | -59.4 | 120.8 | 166.4 | 26.3 | -32.5 | 0 | 0 | 0 | 107.5 | D463 N467 | D463-P465 WeakPolarHBondContact O-CD 3.39Å; P465-N467 PolarHBondContact O-N 3.44Å | ||
| 466 | S | 48.8 | Very low | 62.2 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 56% | 0.559 | 50% | 0.503 | S | S | * | . | trans | -57.8 | 115 | 167.5 | 40.7 | 0 | 0 | 0 | 0 | 107.3 | S464 S468 | S464-S466 PolarHBondContact O-N 3.27Å; S464-S466 VanDerWaalsContact O-N 3.13Å; S466-S468 PolarHBondContact O-N 3.16Å; S466-S468 VanDerWaalsContact O-N 3.16Å | ||
| 467 | N | 45.7 | Very low | 61.2 | Low | 119 Ų | 119 | 86.2 Ų | 86.2 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | trans | -62.2 | 118.7 | 169.4 | -69.1 | -35 | 0 | 0 | 0 | 106.6 | P465 T469 | P465-N467 PolarHBondContact O-N 3.44Å; N467-T469 PolarHBondContact O-N 3.17Å | ||
| 468 | S | 49.7 | Very low | 60.8 | Low | 81 Ų | 81 | 90 Ų | 90 | 57% | 0.566 | 53% | 0.529 | S | S | * | . | trans | -61.6 | 107 | 172.1 | 37.3 | 0 | 0 | 0 | 0 | 108.8 | S466 V470 S489 | S466-S468 PolarHBondContact O-N 3.16Å; S466-S468 VanDerWaalsContact O-N 3.16Å; S468-V470 PolarHBondContact O-N 2.67Å; S468-S489 WeakPolarHBondContact O-CB 3.14Å | ||
| 469 | T | 49.6 | Very low | 60.2 | Low | 77 Ų | 77 | 88.9 Ų | 88.9 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115 | 165.2 | 29.9 | 0 | 0 | 0 | 0 | 107.5 | N467 T471 K488 | N467-T469 PolarHBondContact O-N 3.17Å; T469-T471 PolarHBondContact O-N 2.9Å; T469-K488 HydrophobicContact CG2-CG 3.81Å |
| 470 | V | 54.7 | Low | 60 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 109.8 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | S468 F487 | S468-V470 PolarHBondContact O-N 2.67Å; V470-F487 PolarHBondContact N-O 2.87Å; V470-F487 PolarHBondContact O-N 3.28Å |
| 471 | T | 56.1 | Low | 59.8 | Low | 95 Ų | 95 | 92.1 Ų | 92.1 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.2 | 170.7 | 27.5 | 0 | 0 | 0 | 0 | 109.6 | T469 R485 E486 | T469-T471 PolarHBondContact O-N 2.9Å; T471-R485 VanDerWaalsContact CA-O 3.23Å; T471-R485 WeakPolarHBondContact CA-O 3.37Å; T471-E486 HydrophobicContact CG2-CG 3.95Å |
| 472 | L | 57.9 | Low | 59.7 | Low | 62 Ų | 62 | 92.7 Ų | 92.7 | 33% | 0.325 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -81.2 | 128.9 | 175.4 | -72.2 | 170.2 | 0 | 0 | 0 | 109.5 | S474 L477 R485 F487 | L472-S474 PolarHBondContact O-N 3.03Å; L472-L477 HydrophobicContact CB-CD1 3.71Å; L472-L477 HydrophobicContact CD1-CD1 3.89Å; L472-L477 HydrophobicContact CG-CD1 4.47Å; L472-R485 PolarHBondContact N-O 2.81Å; L472-F487 HydrophobicContact CD1-CD2 4.1Å; L472-F487 HydrophobicContact CD1-CE2 4.03Å |
| 473 | P | 60.9 | Low | 60.1 | Low | 79 Ų | 79 | 94 Ų | 94 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 139.6 | 178.1 | -25.4 | 31.2 | 0 | 0 | 0 | 112.4 | A475 L476 | P473-A475 PolarHBondContact O-N 3.05Å; P473-L476 HydrophobicContact CB-CD1 4.27Å; P473-L476 HydrophobicContact CG-CD1 4.1Å; P473-L476 PolarHBondContact O-N 3.47Å |
| 474 | S | 61.3 | Low | 60.5 | Low | 73 Ų | 73 | 90.3 Ų | 90.3 | 51% | 0.51 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -52.6 | -32.9 | -176.1 | -49.9 | 0 | 0 | 0 | 0 | 115.4 | L472 L476 R485 | L472-S474 PolarHBondContact O-N 3.03Å; S474-L476 VanDerWaalsContact C-N 3.29Å; S474-L476 PolarHBondContact O-N 3.11Å; S474-R485 PolarHBondContact O-NH2 3.29Å; S474-R485 PolarHBondContact OG-NH1 3.48Å |
| 475 | A | 71.7 | Confident | 61.3 | Low | 100 Ų | 100 | 87.8 Ų | 87.8 | 83% | 0.826 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -74 | -16.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P473 | P473-A475 PolarHBondContact O-N 3.05Š|
| 476 | L | 67.9 | Low | 61.6 | Low | 129 Ų | 129 | 90.6 Ų | 90.6 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -97.6 | -3.5 | -174.3 | -65 | 172.1 | 0 | 0 | 0 | 113.7 | P473 S474 | P473-L476 HydrophobicContact CB-CD1 4.27Å; P473-L476 HydrophobicContact CG-CD1 4.1Å; P473-L476 PolarHBondContact O-N 3.47Å; S474-L476 VanDerWaalsContact C-N 3.29Å; S474-L476 PolarHBondContact O-N 3.11Å |
| 477 | L | 63.7 | Low | 62 | Low | 31 Ų | 31 | 91.5 Ų | 91.5 | 16% | 0.162 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -125.9 | 121.6 | -176.7 | -72.4 | 168.6 | 0 | 0 | 0 | 111.1 | L472 L481 R485 | L472-L477 HydrophobicContact CB-CD1 3.71Å; L472-L477 HydrophobicContact CD1-CD1 3.89Å; L472-L477 HydrophobicContact CG-CD1 4.47Å; L477-L481 HydrophobicContact CB-CB 4.29Å; L477-L481 HydrophobicContact CD2-CB 3.82Å; L477-L481 HydrophobicContact CD2-CD1 3.96Å; L477-R485 HydrophobicContact CD1-CG 3.74Å |
| 478 | P | 73 | Confident | 62.5 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | trans | -52.3 | 147 | 164.8 | -24.9 | 33.9 | 0 | 0 | 0 | 111.3 | P480 L481 | P478-P480 VanDerWaalsContact C-N 3.29Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å; P478-L481 PolarHBondContact O-N 3.31Å | ||
| 479 | L | 69.6 | Low | 62.4 | Low | 128 Ų | 128 | 90.9 Ų | 90.9 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -44.8 | -38.7 | -176.7 | -71.7 | 167.8 | 0 | 0 | 0 | 115.7 | L481 W482 | L479-L481 PolarHBondContact O-N 3.38Å; L479-W482 HydrophobicContact CD2-CE3 3.56Å; L479-W482 HydrophobicContact CD2-CZ3 3.65Å; L479-W482 WeakPolarHBondContact O-CB 3.26Å; L479-W482 PolarHBondContact O-N 3.21Å; L479-W482 VanDerWaalsContact O-N 3.16Å |
| 480 | P | 73.6 | Confident | 62.2 | Low | 109 Ų | 109 | 94.9 Ų | 94.9 | 71% | 0.708 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -64 | -24.6 | 178.2 | -21.2 | 32.8 | 0 | 0 | 0 | 114.2 | P478 P483 | P478-P480 VanDerWaalsContact C-N 3.29Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å; P480-P483 WeakPolarHBondContact O-CD 3.34Å |
| 481 | L | 70.7 | Confident | 61.8 | Low | 75 Ų | 75 | 100.9 Ų | 100.9 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -94.7 | 5.2 | -179.6 | -55 | -178.2 | 0 | 0 | 0 | 112.3 | L477 P478 L479 P483 L484 | L477-L481 HydrophobicContact CB-CB 4.29Å; L477-L481 HydrophobicContact CD2-CB 3.82Å; L477-L481 HydrophobicContact CD2-CD1 3.96Å; P478-L481 PolarHBondContact O-N 3.31Å; L479-L481 PolarHBondContact O-N 3.38Å; L481-P483 VanDerWaalsContact C-N 3.31Å; L481-L484 HydrophobicContact CB-CD1 4.37Å; L481-L484 HydrophobicContact CD2-CD1 3.94Å; L481-L484 WeakPolarHBondContact O-CA 3.42Å; L481-L484 VanDerWaalsContact O-CB 3.28Å; L481-L484 WeakPolarHBondContact O-CB 3.45Å; L481-L484 PolarHBondContact O-N 2.84Å |
| 482 | W | 69 | Low | 61.3 | Low | 136 Ų | 136 | 102.6 Ų | 102.6 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -56.7 | -36.2 | 176.6 | -154.5 | -18.1 | 0 | 0 | 0 | 113.4 | L479 L484 R485 | L479-W482 HydrophobicContact CD2-CE3 3.56Å; L479-W482 HydrophobicContact CD2-CZ3 3.65Å; L479-W482 WeakPolarHBondContact O-CB 3.26Å; L479-W482 PolarHBondContact O-N 3.21Å; L479-W482 VanDerWaalsContact O-N 3.16Å; W482-L484 PolarHBondContact O-N 2.73Å; W482-L484 VanDerWaalsContact O-N 3.12Å; W482-R485 VanDerWaalsContact CE2-NH2 3.34Å; W482-R485 VanDerWaalsContact CZ2-NH1 3.31Å; W482-R485 VanDerWaalsContact NE1-CD 3.33Å; W482-R485 VanDerWaalsContact NE1-NE 3.16Å; W482-R485 VanDerWaalsContact O-CB 3.25Å; W482-R485 WeakPolarHBondContact O-CB 3.46Å; W482-R485 WeakPolarHBondContact O-CG 3.49Å; W482-R485 PolarHBondContact O-N 3.25Å |
| 483 | P | 68.2 | Low | 60.7 | Low | 111 Ų | 111 | 107.5 Ų | 107.5 | 72% | 0.721 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -60.7 | -21.4 | 172.5 | -23.4 | 34.8 | 0 | 0 | 0 | 114.2 | P480 L481 R485 | P480-P483 WeakPolarHBondContact O-CD 3.34Å; L481-P483 VanDerWaalsContact C-N 3.31Å; P483-R485 VanDerWaalsContact C-N 3.27Å |
| 484 | L | 63.4 | Low | 59.7 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 40% | 0.403 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -85.8 | 6.2 | 175.1 | -56.2 | 178.9 | 0 | 0 | 0 | 112.7 | L481 W482 E486 F487 | L481-L484 HydrophobicContact CB-CD1 4.37Å; L481-L484 HydrophobicContact CD2-CD1 3.94Å; L481-L484 WeakPolarHBondContact O-CA 3.42Å; L481-L484 VanDerWaalsContact O-CB 3.28Å; L481-L484 WeakPolarHBondContact O-CB 3.45Å; L481-L484 PolarHBondContact O-N 2.84Å; W482-L484 PolarHBondContact O-N 2.73Å; W482-L484 VanDerWaalsContact O-N 3.12Å; L484-E486 PolarHBondContact O-N 3.48Å; L484-F487 HydrophobicContact CB-CE2 3.69Å; L484-F487 HydrophobicContact CB-CZ 3.75Å; L484-F487 HydrophobicContact CD1-CZ 4.28Å; L484-F487 HydrophobicContact CD2-CE1 4.28Å; L484-F487 HydrophobicContact CD2-CZ 3.86Å; L484-F487 HydrophobicContact CG-CZ 4.18Å; L484-F487 WeakPolarHBondContact O-CD2 3.44Å; L484-F487 WeakPolarHBondContact O-CE2 3.4Å |
| 485 | R | 60.3 | Low | 58.8 | Low | 37 Ų | 37 | 112 Ų | 112 | 14% | 0.14 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -65.4 | -26.4 | 177.9 | -81.8 | -163.1 | -162.8 | 168.1 | 7.7 | 113.2 | T471 L472 S474 L477 W482 P483 | T471-R485 VanDerWaalsContact CA-O 3.23Å; T471-R485 WeakPolarHBondContact CA-O 3.37Å; L472-R485 PolarHBondContact N-O 2.81Å; S474-R485 PolarHBondContact O-NH2 3.29Å; S474-R485 PolarHBondContact OG-NH1 3.48Å; L477-R485 HydrophobicContact CD1-CG 3.74Å; W482-R485 VanDerWaalsContact CE2-NH2 3.34Å; W482-R485 VanDerWaalsContact CZ2-NH1 3.31Å; W482-R485 VanDerWaalsContact NE1-CD 3.33Å; W482-R485 VanDerWaalsContact NE1-NE 3.16Å; W482-R485 VanDerWaalsContact O-CB 3.25Å; W482-R485 WeakPolarHBondContact O-CB 3.46Å; W482-R485 WeakPolarHBondContact O-CG 3.49Å; W482-R485 PolarHBondContact O-N 3.25Å; P483-R485 VanDerWaalsContact C-N 3.27Å |
| 486 | E | 58.8 | Low | 57.4 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 90.5 | 176.6 | -68.9 | -174.1 | -175 | 0 | 0 | 110.2 | T471 L484 K488 | T471-E486 HydrophobicContact CG2-CG 3.95Å; L484-E486 PolarHBondContact O-N 3.48Å; E486-K488 PolarHBondContact O-N 2.91Å |
| 487 | F | 56.7 | Low | 56.1 | Low | 100 Ų | 100 | 117.9 Ų | 117.9 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 103.4 | 165.6 | -78.3 | -78.5 | 0 | 0 | 0 | 108.6 | V470 L472 L484 S489 | V470-F487 PolarHBondContact N-O 2.87Å; V470-F487 PolarHBondContact O-N 3.28Å; L472-F487 HydrophobicContact CD1-CD2 4.1Å; L472-F487 HydrophobicContact CD1-CE2 4.03Å; L484-F487 HydrophobicContact CB-CE2 3.69Å; L484-F487 HydrophobicContact CB-CZ 3.75Å; L484-F487 HydrophobicContact CD1-CZ 4.28Å; L484-F487 HydrophobicContact CD2-CE1 4.28Å; L484-F487 HydrophobicContact CD2-CZ 3.86Å; L484-F487 HydrophobicContact CG-CZ 4.18Å; L484-F487 WeakPolarHBondContact O-CD2 3.44Å; L484-F487 WeakPolarHBondContact O-CE2 3.4Å; F487-S489 PolarHBondContact O-N 3.1Å |
| 488 | K | 55 | Low | 55.2 | Low | 158 Ų | 158 | 123 Ų | 123 | 69% | 0.687 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64 | 108.8 | 157.8 | -78 | -179.4 | -179 | 174.2 | 0 | 106.8 | T469 E486 M490 | T469-K488 HydrophobicContact CG2-CG 3.81Å; E486-K488 PolarHBondContact O-N 2.91Å; K488-M490 PolarHBondContact O-N 3.37Å |
| 489 | S | 49.3 | Very low | 53.9 | Low | 28 Ų | 28 | 123.1 Ų | 123.1 | 20% | 0.196 | 60% | 0.598 | C | S | . | * | trans | -48.1 | 105.4 | 171.1 | 167.9 | 0 | 0 | 0 | 0 | 109.9 | S468 F487 Y491 | S468-S489 WeakPolarHBondContact O-CB 3.14Å; F487-S489 PolarHBondContact O-N 3.1Å; S489-Y491 PolarHBondContact O-N 3Å; S489-Y491 WeakPolarHBondContact OG-CB 3.45Å; S489-Y491 WeakPolarHBondContact OG-CD2 3.43Å; S489-Y491 PolarHBondContact OG-N 2.74Å | ||
| 490 | M | 45 | Very low | 52.9 | Low | 162 Ų | 162 | 122.6 Ų | 122.6 | 80% | 0.798 | 60% | 0.596 | S | S | * | * | trans | -78.1 | 46.1 | 163.1 | -81.7 | -172.4 | 69.6 | 0 | 0 | 109.5 | K488 I492 | K488-M490 PolarHBondContact O-N 3.37Å; M490-I492 HydrophobicContact CE-CD1 4.04Å; M490-I492 PolarHBondContact O-N 3.28Å | ||
| 491 | Y | 45.9 | Very low | 51.7 | Low | 204 Ų | 204 | 119.9 Ų | 119.9 | 80% | 0.8 | 58% | 0.58 | S | S | * | * | trans | -74.5 | 80.3 | 165.1 | -90.3 | -90 | 0 | 0 | 0 | 108.8 | S489 K493 | S489-Y491 PolarHBondContact O-N 3Å; S489-Y491 WeakPolarHBondContact OG-CB 3.45Å; S489-Y491 WeakPolarHBondContact OG-CD2 3.43Å; S489-Y491 PolarHBondContact OG-N 2.74Å; Y491-K493 PolarHBondContact O-N 3.06Å | ||
| 492 | I | 45.5 | Very low | 51.2 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 67% | 0.667 | 58% | 0.578 | S | S | * | * | trans | -70.1 | 77.7 | 159.3 | -52.3 | 169.8 | 0 | 0 | 0 | 105.7 | M490 P494 | M490-I492 HydrophobicContact CE-CD1 4.04Å; M490-I492 PolarHBondContact O-N 3.28Å; I492-P494 VanDerWaalsContact O-CD 3.24Å; I492-P494 WeakPolarHBondContact O-CD 3.39Å | ||
| 493 | K | 46.1 | Very low | 51.1 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | trans | -62 | 120.6 | 146.9 | -83.6 | -177.5 | 179.9 | 170.5 | 0 | 103.5 | Y491 K495 | Y491-K493 PolarHBondContact O-N 3.06Å; K493-K495 PolarHBondContact O-N 3.08Å | ||
| 494 | P | 39.4 | Very low | 51.2 | Low | 106 Ų | 106 | 120.4 Ų | 120.4 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | trans | -59.9 | 100.9 | 161.7 | 26.4 | -28.8 | 0 | 0 | 0 | 103.9 | I492 R496 | I492-P494 VanDerWaalsContact O-CD 3.24Å; I492-P494 WeakPolarHBondContact O-CD 3.39Å; P494-R496 PolarHBondContact O-N 2.88Å | ||
| 495 | K | 41.8 | Very low | 51.9 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 61% | 0.613 | 60% | 0.596 | S | S | * | * | trans | -42.8 | 142.7 | 144.9 | -78.3 | -174.7 | 175.2 | -176.5 | 0 | 103.5 | K493 L497 | K493-K495 PolarHBondContact O-N 3.08Å; K495-L497 PolarHBondContact O-N 3.41Å | ||
| 496 | R | 42.5 | Very low | 52.6 | Low | 239 Ų | 239 | 124.4 Ų | 124.4 | 90% | 0.902 | 61% | 0.613 | S | S | * | * | trans | -53.1 | 89.5 | 162.1 | -70.3 | -176.7 | -178.1 | 173 | 0.5 | 104.6 | P494 H498 | P494-R496 PolarHBondContact O-N 2.88Å; R496-H498 PolarHBondContact O-N 3.42Å | ||
| 497 | L | 40.1 | Very low | 53.5 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | trans | -59.8 | 106.1 | 164.7 | -99.5 | 102.3 | 0 | 0 | 0 | 97.8 | K495 S499 | K495-L497 PolarHBondContact O-N 3.41Å; L497-S499 PolarHBondContact O-N 3.45Å | ||
| 498 | H | 44.7 | Very low | 54.7 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | trans | -40.9 | 119.9 | 155.3 | -70 | -17.4 | 0 | 0 | 0 | 104 | R496 N500 | R496-H498 PolarHBondContact O-N 3.42Å; H498-N500 PolarHBondContact O-N 2.9Å | ||
| 499 | S | 45.9 | Very low | 56.2 | Low | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -66.9 | 34.7 | -168.4 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | L497 S501 | L497-S499 PolarHBondContact O-N 3.45Å; S499-S501 VanDerWaalsContact C-N 3.31Å |
| 500 | N | 48.1 | Very low | 58 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | trans | -88.4 | -4.1 | -169.9 | -60.5 | 6.2 | 0 | 0 | 0 | 110.9 | H498 | H498-N500 PolarHBondContact O-N 2.9Š| ||
| 501 | S | 50.1 | Low | 59.9 | Low | 53 Ų | 53 | 122 Ų | 122 | 37% | 0.371 | 61% | 0.608 | S | S | . | * | trans | -129.6 | 93.2 | 169.8 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | S499 R503 N506 | S499-S501 VanDerWaalsContact C-N 3.31Å; S501-R503 PolarHBondContact O-N 3.45Å; S501-R503 VanDerWaalsContact OG-CG 3.28Å; S501-R503 WeakPolarHBondContact OG-CG 3.4Å; S501-N506 PolarHBondContact O-ND2 2.75Å | ||
| 502 | L | 59.1 | Low | 61.7 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 36% | 0.356 | 59% | 0.589 | S | S | . | * | trans | -68 | 69 | 164.7 | -79.3 | 161.7 | 0 | 0 | 0 | 109 | V515 M519 R534 | L502-V515 HydrophobicContact CD2-CG1 4.38Å; L502-M519 HydrophobicContact CB-CE 3.51Å; L502-M519 HydrophobicContact CD1-CE 3.7Å; L502-M519 HydrophobicContact CD1-CG 4.25Å; L502-M519 HydrophobicContact CD2-CE 3.24Å; L502-M519 HydrophobicContact CG-CE 3.62Å; L502-R534 VanDerWaalsContact CD1-CZ 3.41Å; L502-R534 VanDerWaalsContact CG-NH1 3.31Å | ||
| 503 | R | 66.4 | Low | 63.5 | Low | 152 Ų | 152 | 120.6 Ų | 120.6 | 57% | 0.574 | 60% | 0.599 | S | S | * | * | trans | -65.8 | 136.7 | 164.2 | -58.5 | -168.4 | -172 | -173.3 | 0.2 | 107.2 | S501 C505 N506 | S501-R503 PolarHBondContact O-N 3.45Å; S501-R503 VanDerWaalsContact OG-CG 3.28Å; S501-R503 WeakPolarHBondContact OG-CG 3.4Å; R503-C505 WeakPolarHBondContact CB-SG 3.27Å; R503-C505 PolarHBondContact O-N 2.87Å; R503-N506 WeakPolarHBondContact O-CB 3.43Å; R503-N506 PolarHBondContact O-N 3.43Å | ||
| 504 | P | 71.2 | Confident | 65.3 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -50.3 | -32.9 | 177 | -29.7 | 35.5 | 0 | 0 | 0 | 113.1 | N506 I507 | P504-N506 VanDerWaalsContact C-N 3.27Å; P504-N506 PolarHBondContact O-N 3.42Å; P504-I507 PolarHBondContact O-N 3.42Å |
| 505 | C | 78.4 | Confident | 67.3 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -67.7 | -16.7 | 178.2 | 63.1 | 0 | 0 | 0 | 0 | 115.4 | R503 | R503-C505 WeakPolarHBondContact CB-SG 3.27Å; R503-C505 PolarHBondContact O-N 2.87Å |
| 506 | N | 73.8 | Confident | 69.3 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -92 | -5.1 | -176.9 | -65.5 | -12.4 | 0 | 0 | 0 | 113 | S501 R503 P504 | S501-N506 PolarHBondContact O-ND2 2.75Å; R503-N506 WeakPolarHBondContact O-CB 3.43Å; R503-N506 PolarHBondContact O-N 3.43Å; P504-N506 VanDerWaalsContact C-N 3.27Å; P504-N506 PolarHBondContact O-N 3.42Å |
| 507 | I | 78.7 | Confident | 71.2 | Confident | 33 Ų | 33 | 102.2 Ų | 102.2 | 17% | 0.169 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -86.5 | 118.5 | -177.1 | -51.1 | 168.9 | 0 | 0 | 0 | 108.6 | P504 L512 V515 M519 | P504-I507 PolarHBondContact O-N 3.42Å; I507-L512 HydrophobicContact CG2-CB 4.35Å; I507-L512 HydrophobicContact CG2-CD1 4.35Å; I507-V515 HydrophobicContact CD1-CG1 4.18Å; I507-V515 HydrophobicContact CG1-CG1 4.26Å; I507-V515 HydrophobicContact CG2-CB 3.95Å; I507-V515 HydrophobicContact CG2-CG1 4Å; I507-V515 HydrophobicContact CG2-CG2 4.29Å; I507-M519 HydrophobicContact CD1-CE 3.26Å; I507-M519 HydrophobicContact CD1-SD 3.76Å; I507-M519 HydrophobicContact CG1-CE 3.91Å |
| 508 | S | 82 | Confident | 73.1 | Confident | 51 Ų | 51 | 102.5 Ų | 102.5 | 36% | 0.357 | 54% | 0.537 | S | S | . | . | trans | -63.1 | 142.6 | 175 | 83.5 | 0 | 0 | 0 | 0 | 110.6 | T510 N511 L512 | S508-T510 PolarHBondContact O-N 3.36Å; S508-T510 PolarHBondContact OG-OG1 3.28Å; S508-N511 PolarHBondContact O-N 2.87Å; S508-N511 PolarHBondContact OG-N 3.25Å; S508-N511 PolarHBondContact OG-ND2 3.03Å; S508-L512 PolarHBondContact O-N 2.87Å | ||
| 509 | R | 85.8 | Confident | 74.7 | Confident | 235 Ų | 235 | 98 Ų | 98 | 89% | 0.887 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35.6 | 178.8 | -172.5 | 174.2 | 179.6 | 141.6 | -1.2 | 112.7 | N511 L512 | R509-N511 VanDerWaalsContact C-N 3.32Å; R509-N511 PolarHBondContact O-N 3.12Å; R509-L512 WeakPolarHBondContact O-CB 3.22Å; R509-L512 PolarHBondContact O-N 2.85Å |
| 510 | T | 87.4 | Confident | 76.4 | Confident | 124 Ų | 124 | 102.3 Ų | 102.3 | 76% | 0.761 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -33 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | S508 | S508-T510 PolarHBondContact O-N 3.36Å; S508-T510 PolarHBondContact OG-OG1 3.28Å |
| 511 | N | 84.3 | Confident | 77.8 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -3.5 | -178 | -67.5 | -22.9 | 0 | 0 | 0 | 112.7 | S508 R509 R513 V514 V515 | S508-N511 PolarHBondContact O-N 2.87Å; S508-N511 PolarHBondContact OG-N 3.25Å; S508-N511 PolarHBondContact OG-ND2 3.03Å; R509-N511 VanDerWaalsContact C-N 3.32Å; R509-N511 PolarHBondContact O-N 3.12Å; N511-R513 PolarHBondContact O-N 3.22Å; N511-V514 PolarHBondContact O-N 2.73Å; N511-V514 VanDerWaalsContact O-N 3.14Å; N511-V515 HydrophobicContact CB-CG2 4Å; N511-V515 WeakPolarHBondContact O-CB 3.12Å; N511-V515 WeakPolarHBondContact O-CG2 3.42Å; N511-V515 PolarHBondContact O-N 2.88Å |
| 512 | L | 84.3 | Confident | 78.9 | Confident | 76 Ų | 76 | 101 Ų | 101 | 40% | 0.398 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.1 | -48.2 | -169.6 | -169.2 | 121 | 0 | 0 | 0 | 112.6 | I507 S508 R509 V514 V515 L516 | I507-L512 HydrophobicContact CG2-CB 4.35Å; I507-L512 HydrophobicContact CG2-CD1 4.35Å; S508-L512 PolarHBondContact O-N 2.87Å; R509-L512 WeakPolarHBondContact O-CB 3.22Å; R509-L512 PolarHBondContact O-N 2.85Å; L512-V514 PolarHBondContact O-N 2.96Å; L512-V515 PolarHBondContact O-N 3.28Å; L512-L516 HydrophobicContact CD2-CD1 4.4Å; L512-L516 WeakPolarHBondContact O-CB 3.48Å; L512-L516 PolarHBondContact O-N 3.38Å |
| 513 | R | 84.1 | Confident | 79.8 | Confident | 230 Ų | 230 | 102.7 Ų | 102.7 | 87% | 0.868 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 179.2 | -71.1 | -172.7 | 176.5 | -170.4 | -0.8 | 112.9 | N511 G517 | N511-R513 PolarHBondContact O-N 3.22Å; R513-G517 PolarHBondContact O-N 2.97Å |
| 514 | V | 83.1 | Confident | 80.3 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.6 | -46.3 | -179.2 | 178 | 0 | 0 | 0 | 0 | 110.7 | N511 L512 G517 K518 | N511-V514 PolarHBondContact O-N 2.73Å; N511-V514 VanDerWaalsContact O-N 3.14Å; L512-V514 PolarHBondContact O-N 2.96Å; V514-G517 PolarHBondContact O-N 3.22Å; V514-K518 WeakPolarHBondContact O-CG 3.32Å; V514-K518 PolarHBondContact O-N 2.83Å; V514-K518 VanDerWaalsContact O-N 3.14Å |
| 515 | V | 81.3 | Confident | 80.3 | Confident | 29 Ų | 29 | 94.6 Ų | 94.6 | 18% | 0.176 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.9 | -38 | -179.4 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | L502 I507 N511 L512 K518 M519 | L502-V515 HydrophobicContact CD2-CG1 4.38Å; I507-V515 HydrophobicContact CD1-CG1 4.18Å; I507-V515 HydrophobicContact CG1-CG1 4.26Å; I507-V515 HydrophobicContact CG2-CB 3.95Å; I507-V515 HydrophobicContact CG2-CG1 4Å; I507-V515 HydrophobicContact CG2-CG2 4.29Å; N511-V515 HydrophobicContact CB-CG2 4Å; N511-V515 WeakPolarHBondContact O-CB 3.12Å; N511-V515 WeakPolarHBondContact O-CG2 3.42Å; N511-V515 PolarHBondContact O-N 2.88Å; L512-V515 PolarHBondContact O-N 3.28Å; V515-K518 CarbonylContact O-C 3.6Å; V515-K518 PolarHBondContact O-N 3.49Å; V515-M519 HydrophobicContact CG1-CE 3.64Å; V515-M519 HydrophobicContact CG1-CG 4.08Å; V515-M519 HydrophobicContact CG1-SD 3.94Å; V515-M519 WeakPolarHBondContact O-CB 3.15Å; V515-M519 VanDerWaalsContact O-CG 3.23Å; V515-M519 WeakPolarHBondContact O-CG 3.29Å; V515-M519 PolarHBondContact O-N 3.42Å |
| 516 | L | 83.6 | Confident | 79.9 | Confident | 102 Ų | 102 | 94.1 Ų | 94.1 | 53% | 0.534 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 179.1 | -164.4 | 149 | 0 | 0 | 0 | 111.7 | L512 M519 R520 | L512-L516 HydrophobicContact CD2-CD1 4.4Å; L512-L516 WeakPolarHBondContact O-CB 3.48Å; L512-L516 PolarHBondContact O-N 3.38Å; L516-M519 PolarHBondContact O-N 2.95Å; L516-R520 WeakPolarHBondContact O-CB 3.4Å; L516-R520 PolarHBondContact O-N 2.87Å |
| 517 | G | 83.4 | Confident | 79.8 | Confident | 42 Ų | 42 | 93.7 Ų | 93.7 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R513 V514 R520 H521 | R513-G517 PolarHBondContact O-N 2.97Å; V514-G517 PolarHBondContact O-N 3.22Å; G517-R520 PolarHBondContact O-N 3.02Å; G517-H521 PolarHBondContact O-N 3.12Å; G517-H521 VanDerWaalsContact O-N 3.12Å |
| 518 | K | 79.1 | Confident | 79.3 | Confident | 121 Ų | 121 | 97.9 Ų | 97.9 | 53% | 0.526 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 175 | -70.2 | 179.9 | -179.8 | -172.5 | 0 | 112.7 | V514 V515 R520 H521 E522 | V514-K518 WeakPolarHBondContact O-CG 3.32Å; V514-K518 PolarHBondContact O-N 2.83Å; V514-K518 VanDerWaalsContact O-N 3.14Å; V515-K518 CarbonylContact O-C 3.6Å; V515-K518 PolarHBondContact O-N 3.49Å; K518-R520 VanDerWaalsContact C-N 3.32Å; K518-R520 PolarHBondContact O-N 2.92Å; K518-H521 PolarHBondContact O-N 3.36Å; K518-E522 WeakPolarHBondContact O-CB 3.35Å; K518-E522 WeakPolarHBondContact O-CG 3.37Å; K518-E522 PolarHBondContact O-N 3.41Å |
| 519 | M | 78.3 | Confident | 78.4 | Confident | 44 Ų | 44 | 96.8 Ų | 96.8 | 22% | 0.217 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.8 | -78 | 176.1 | 166.9 | 0 | 0 | 111.6 | L502 I507 V515 L516 E522 L523 | L502-M519 HydrophobicContact CB-CE 3.51Å; L502-M519 HydrophobicContact CD1-CE 3.7Å; L502-M519 HydrophobicContact CD1-CG 4.25Å; L502-M519 HydrophobicContact CD2-CE 3.24Å; L502-M519 HydrophobicContact CG-CE 3.62Å; I507-M519 HydrophobicContact CD1-CE 3.26Å; I507-M519 HydrophobicContact CD1-SD 3.76Å; I507-M519 HydrophobicContact CG1-CE 3.91Å; V515-M519 HydrophobicContact CG1-CE 3.64Å; V515-M519 HydrophobicContact CG1-CG 4.08Å; V515-M519 HydrophobicContact CG1-SD 3.94Å; V515-M519 WeakPolarHBondContact O-CB 3.15Å; V515-M519 VanDerWaalsContact O-CG 3.23Å; V515-M519 WeakPolarHBondContact O-CG 3.29Å; V515-M519 PolarHBondContact O-N 3.42Å; L516-M519 PolarHBondContact O-N 2.95Å; M519-E522 PolarHBondContact O-N 3Å; M519-L523 VanDerWaalsContact O-CB 3.3Å; M519-L523 WeakPolarHBondContact O-CB 3.4Å; M519-L523 PolarHBondContact O-N 3.01Å |
| 520 | R | 82.8 | Confident | 77.2 | Confident | 180 Ų | 180 | 88.8 Ų | 88.8 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.9 | -48.8 | 174.7 | -176.3 | 176.9 | 179.5 | 174.4 | 1.4 | 110.8 | L516 G517 K518 E522 L523 D524 | L516-R520 WeakPolarHBondContact O-CB 3.4Å; L516-R520 PolarHBondContact O-N 2.87Å; G517-R520 PolarHBondContact O-N 3.02Å; K518-R520 VanDerWaalsContact C-N 3.32Å; K518-R520 PolarHBondContact O-N 2.92Å; R520-E522 PolarHBondContact O-N 3.23Å; R520-L523 WeakPolarHBondContact O-CB 3.33Å; R520-L523 PolarHBondContact O-N 3.05Å; R520-D524 VanDerWaalsContact O-CG 3.24Å; R520-D524 PolarHBondContact O-N 3Å |
| 521 | H | 77.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 177.6 | -170.4 | 62 | 0 | 0 | 0 | 112.9 | G517 K518 D524 N525 | G517-H521 PolarHBondContact O-N 3.12Å; G517-H521 VanDerWaalsContact O-N 3.12Å; K518-H521 PolarHBondContact O-N 3.36Å; H521-D524 PolarHBondContact O-N 3.4Å; H521-N525 PolarHBondContact CD2-ND2 2.75Å; H521-N525 VanDerWaalsContact CD2-ND2 3.35Å; H521-N525 PolarHBondContact NE2-ND2 2.67Å; H521-N525 WeakPolarHBondContact O-CB 3.36Å; H521-N525 PolarHBondContact O-N 2.97Å; H521-N525 PolarHBondContact O-ND2 2.99Å |
| 522 | E | 73.5 | Confident | 74.5 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 16% | 0.159 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 173.4 | -79.6 | 168.9 | -164.1 | 0 | 0 | 111.8 | K518 M519 R520 N525 L526 R534 | K518-E522 WeakPolarHBondContact O-CB 3.35Å; K518-E522 WeakPolarHBondContact O-CG 3.37Å; K518-E522 PolarHBondContact O-N 3.41Å; M519-E522 PolarHBondContact O-N 3Å; R520-E522 PolarHBondContact O-N 3.23Å; E522-N525 PolarHBondContact O-N 2.79Å; E522-L526 VanDerWaalsContact O-CB 3.27Å; E522-L526 WeakPolarHBondContact O-CB 3.35Å; E522-L526 PolarHBondContact O-N 3.27Å; E522-R534 IonicContact OE1-CZ 3.2Å; E522-R534 IonicContact OE1-NE 2.73Å; E522-R534 PolarHBondContact OE1-NE 3.11Å; E522-R534 IonicContact OE1-NH2 2.85Å; E522-R534 PolarHBondContact OE1-NH2 3.19Å; E522-R534 IonicContact OE2-CZ 3.42Å; E522-R534 IonicContact OE2-NE 3.39Å; E522-R534 PolarHBondContact OE2-NE 3.38Å; E522-R534 IonicContact OE2-NH2 3.08Å; E522-R534 PolarHBondContact OE2-NH2 3.2Å; E522-R534 VanDerWaalsContact OE2-NH2 3.08Å |
| 523 | L | 76.5 | Confident | 73.1 | Confident | 104 Ų | 104 | 85.8 Ų | 85.8 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 174.6 | -176.1 | 121.1 | 0 | 0 | 0 | 111 | M519 R520 N525 L526 L527 | M519-L523 VanDerWaalsContact O-CB 3.3Å; M519-L523 WeakPolarHBondContact O-CB 3.4Å; M519-L523 PolarHBondContact O-N 3.01Å; R520-L523 WeakPolarHBondContact O-CB 3.33Å; R520-L523 PolarHBondContact O-N 3.05Å; L523-N525 VanDerWaalsContact C-N 3.32Å; L523-N525 PolarHBondContact O-N 3Å; L523-L526 PolarHBondContact O-N 3.09Å; L523-L527 HydrophobicContact CD2-CD1 3.71Å; L523-L527 HydrophobicContact CG-CD1 4.18Å; L523-L527 WeakPolarHBondContact O-CB 3.3Å; L523-L527 VanDerWaalsContact O-CG 3.25Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.14Å |
| 524 | D | 77.6 | Confident | 71.5 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 35% | 0.348 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.4 | -66.3 | -26.5 | 0 | 0 | 0 | 110.9 | R520 H521 L526 L527 N528 | R520-D524 VanDerWaalsContact O-CG 3.24Å; R520-D524 PolarHBondContact O-N 3Å; H521-D524 PolarHBondContact O-N 3.4Å; D524-L526 PolarHBondContact O-N 2.87Å; D524-L527 PolarHBondContact O-N 3.33Å; D524-N528 VanDerWaalsContact O-CB 3.31Å; D524-N528 WeakPolarHBondContact O-CB 3.27Å; D524-N528 PolarHBondContact O-N 2.83Å; D524-N528 PolarHBondContact O-ND2 3.4Å; D524-N528 VanDerWaalsContact O-ND2 3.08Å |
| 525 | N | 71 | Confident | 70.1 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 17% | 0.166 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.7 | -71.6 | -20.2 | 0 | 0 | 0 | 112 | H521 E522 L523 N528 G529 S530 | H521-N525 PolarHBondContact CD2-ND2 2.75Å; H521-N525 VanDerWaalsContact CD2-ND2 3.35Å; H521-N525 PolarHBondContact NE2-ND2 2.67Å; H521-N525 WeakPolarHBondContact O-CB 3.36Å; H521-N525 PolarHBondContact O-N 2.97Å; H521-N525 PolarHBondContact O-ND2 2.99Å; E522-N525 PolarHBondContact O-N 2.79Å; L523-N525 VanDerWaalsContact C-N 3.32Å; L523-N525 PolarHBondContact O-N 3Å; N525-N528 CarbonylContact O-C 3.41Å; N525-N528 PolarHBondContact O-N 3.3Å; N525-G529 PolarHBondContact O-N 2.73Å; N525-S530 CarbonylContact C-O 3.54Å; N525-S530 WeakPolarHBondContact O-CA 3.42Å; N525-S530 WeakPolarHBondContact O-CB 3.39Å; N525-S530 PolarHBondContact O-N 2.85Å |
| 526 | L | 70.2 | Confident | 68.8 | Low | 93 Ų | 93 | 78 Ų | 78 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 178.7 | -162 | 149 | 0 | 0 | 0 | 111.5 | E522 L523 D524 N528 G529 | E522-L526 VanDerWaalsContact O-CB 3.27Å; E522-L526 WeakPolarHBondContact O-CB 3.35Å; E522-L526 PolarHBondContact O-N 3.27Å; L523-L526 PolarHBondContact O-N 3.09Å; D524-L526 PolarHBondContact O-N 2.87Å; L526-N528 VanDerWaalsContact C-N 3.28Å; L526-N528 PolarHBondContact O-N 2.77Å; L526-G529 PolarHBondContact O-N 3.14Å |
| 527 | L | 71.1 | Confident | 67.6 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 45% | 0.45 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -34 | 171.8 | -69.9 | 172.4 | 0 | 0 | 0 | 111.9 | L523 D524 G529 P562 | L523-L527 HydrophobicContact CD2-CD1 3.71Å; L523-L527 HydrophobicContact CG-CD1 4.18Å; L523-L527 WeakPolarHBondContact O-CB 3.3Å; L523-L527 VanDerWaalsContact O-CG 3.25Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.14Å; D524-L527 PolarHBondContact O-N 3.33Å; L527-G529 VanDerWaalsContact C-N 3.25Å; L527-G529 PolarHBondContact O-N 2.86Å; L527-P562 HydrophobicContact CD2-CG 4.27Å |
| 528 | N | 68.7 | Low | 66.4 | Low | 120 Ų | 120 | 81.2 Ų | 81.2 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 11.3 | 175.6 | -66.8 | -27.4 | 0 | 0 | 0 | 113.9 | D524 N525 L526 S530 | D524-N528 VanDerWaalsContact O-CB 3.31Å; D524-N528 WeakPolarHBondContact O-CB 3.27Å; D524-N528 PolarHBondContact O-N 2.83Å; D524-N528 PolarHBondContact O-ND2 3.4Å; D524-N528 VanDerWaalsContact O-ND2 3.08Å; N525-N528 CarbonylContact O-C 3.41Å; N525-N528 PolarHBondContact O-N 3.3Å; L526-N528 VanDerWaalsContact C-N 3.28Å; L526-N528 PolarHBondContact O-N 2.77Å; N528-S530 VanDerWaalsContact C-N 3.26Å; N528-S530 PolarHBondContact O-N 3.43Å |
| 529 | G | 62.2 | Low | 65.5 | Low | 28 Ų | 28 | 78.9 Ų | 78.9 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 10.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N525 L526 L527 | N525-G529 PolarHBondContact O-N 2.73Å; L526-G529 PolarHBondContact O-N 3.14Å; L527-G529 VanDerWaalsContact C-N 3.25Å; L527-G529 PolarHBondContact O-N 2.86Å |
| 530 | S | 61.2 | Low | 64.7 | Low | 67 Ų | 67 | 83.7 Ų | 83.7 | 47% | 0.469 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 123.4 | 173.8 | -74.6 | 0 | 0 | 0 | 0 | 110.9 | N525 N528 | N525-S530 CarbonylContact C-O 3.54Å; N525-S530 WeakPolarHBondContact O-CA 3.42Å; N525-S530 WeakPolarHBondContact O-CB 3.39Å; N525-S530 PolarHBondContact O-N 2.85Å; N528-S530 VanDerWaalsContact C-N 3.26Å; N528-S530 PolarHBondContact O-N 3.43Å |
| 531 | S | 59.1 | Low | 63.8 | Low | 58 Ų | 58 | 82.7 Ų | 82.7 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 144.1 | 178.6 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | I533 | S531-I533 PolarHBondContact O-N 3.24Š|
| 532 | N | 56.3 | Low | 63.3 | Low | 80 Ų | 80 | 81.2 Ų | 81.2 | 43% | 0.428 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 116.4 | 178.6 | -171.2 | -19 | 0 | 0 | 0 | 112.3 | R534 A535 | N532-R534 PolarHBondContact O-N 2.87Å; N532-R534 WeakPolarHBondContact OD1-CB 3.33Å; N532-R534 PolarHBondContact OD1-N 3Å; N532-A535 WeakPolarHBondContact O-CB 3.49Å; N532-A535 PolarHBondContact O-N 3.02Å |
| 533 | I | 53.7 | Low | 63.3 | Low | 91 Ų | 91 | 83.3 Ų | 83.3 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -57 | -21.9 | -179.7 | -63.3 | 172.2 | 0 | 0 | 0 | 111.9 | S531 A535 V536 | S531-I533 PolarHBondContact O-N 3.24Å; I533-A535 PolarHBondContact O-N 3.1Å; I533-V536 WeakPolarHBondContact O-CB 3.19Å; I533-V536 WeakPolarHBondContact O-CG2 3.48Å; I533-V536 PolarHBondContact O-N 2.75Å |
| 534 | R | 52.5 | Low | 63.3 | Low | 76 Ų | 76 | 84.3 Ų | 84.3 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -81.6 | -9.5 | 179.9 | -59.6 | -169.2 | -170.6 | 175.7 | 15.2 | 115 | L502 E522 N532 V536 | L502-R534 VanDerWaalsContact CD1-CZ 3.41Å; L502-R534 VanDerWaalsContact CG-NH1 3.31Å; E522-R534 IonicContact OE1-CZ 3.2Å; E522-R534 IonicContact OE1-NE 2.73Å; E522-R534 PolarHBondContact OE1-NE 3.11Å; E522-R534 IonicContact OE1-NH2 2.85Å; E522-R534 PolarHBondContact OE1-NH2 3.19Å; E522-R534 IonicContact OE2-CZ 3.42Å; E522-R534 IonicContact OE2-NE 3.39Å; E522-R534 PolarHBondContact OE2-NE 3.38Å; E522-R534 IonicContact OE2-NH2 3.08Å; E522-R534 PolarHBondContact OE2-NH2 3.2Å; E522-R534 VanDerWaalsContact OE2-NH2 3.08Å; N532-R534 PolarHBondContact O-N 2.87Å; N532-R534 WeakPolarHBondContact OD1-CB 3.33Å; N532-R534 PolarHBondContact OD1-N 3Å; R534-V536 PolarHBondContact O-N 3.02Å |
| 535 | A | 53.8 | Low | 63.1 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -66.1 | -16.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | N532 I533 D537 L538 I539 | N532-A535 WeakPolarHBondContact O-CB 3.49Å; N532-A535 PolarHBondContact O-N 3.02Å; I533-A535 PolarHBondContact O-N 3.1Å; A535-D537 PolarHBondContact O-N 2.57Å; A535-L538 PolarHBondContact O-N 3.45Å; A535-I539 WeakPolarHBondContact O-CG1 3.49Å; A535-I539 PolarHBondContact O-N 2.8Å |
| 536 | V | 53.4 | Low | 63.2 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -33.5 | -175.4 | -179.9 | 0 | 0 | 0 | 0 | 113.2 | I533 R534 L538 I539 H540 | I533-V536 WeakPolarHBondContact O-CB 3.19Å; I533-V536 WeakPolarHBondContact O-CG2 3.48Å; I533-V536 PolarHBondContact O-N 2.75Å; R534-V536 PolarHBondContact O-N 3.02Å; V536-L538 VanDerWaalsContact C-N 3.31Å; V536-L538 PolarHBondContact O-N 2.87Å; V536-I539 WeakPolarHBondContact O-CB 3.47Å; V536-I539 PolarHBondContact O-N 3.41Å; V536-H540 VanDerWaalsContact CG1-NE2 3.34Å; V536-H540 WeakPolarHBondContact CG1-NE2 3.26Å; V536-H540 PolarHBondContact O-CD2 3.26Å; V536-H540 PolarHBondContact O-N 3.25Å |
| 537 | D | 57.5 | Low | 63 | Low | 116 Ų | 116 | 90 Ų | 90 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -30 | 179.8 | -77.9 | -17.1 | 0 | 0 | 0 | 112.9 | A535 H540 | A535-D537 PolarHBondContact O-N 2.57Å; D537-H540 PolarHBondContact O-N 3.38Å |
| 538 | L | 59.5 | Low | 62.9 | Low | 95 Ų | 95 | 89.2 Ų | 89.2 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.4 | -34.2 | 174 | -81.3 | 145.2 | 0 | 0 | 0 | 111.6 | A535 V536 H540 Q541 Q542 | A535-L538 PolarHBondContact O-N 3.45Å; V536-L538 VanDerWaalsContact C-N 3.31Å; V536-L538 PolarHBondContact O-N 2.87Å; L538-H540 PolarHBondContact O-N 3.37Å; L538-Q541 PolarHBondContact O-N 3.43Å; L538-Q541 VanDerWaalsContact O-N 3.11Å; L538-Q542 PolarHBondContact O-N 2.8Å |
| 539 | I | 60.1 | Low | 62.9 | Low | 73 Ų | 73 | 86.6 Ų | 86.6 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -33.7 | 174.7 | -62.4 | 170.2 | 0 | 0 | 0 | 110.4 | A535 V536 Q541 Q542 | A535-I539 WeakPolarHBondContact O-CG1 3.49Å; A535-I539 PolarHBondContact O-N 2.8Å; V536-I539 WeakPolarHBondContact O-CB 3.47Å; V536-I539 PolarHBondContact O-N 3.41Å; I539-Q541 VanDerWaalsContact C-N 3.26Å; I539-Q541 PolarHBondContact O-N 3.46Å; I539-Q542 WeakPolarHBondContact O-CB 3.35Å; I539-Q542 PolarHBondContact O-N 3.07Å |
| 540 | H | 60.3 | Low | 62.8 | Low | 144 Ų | 144 | 92.9 Ų | 92.9 | 67% | 0.667 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.2 | 176.6 | -65.4 | -50.4 | 0 | 0 | 0 | 114.8 | V536 D537 L538 | V536-H540 VanDerWaalsContact CG1-NE2 3.34Å; V536-H540 WeakPolarHBondContact CG1-NE2 3.26Å; V536-H540 PolarHBondContact O-CD2 3.26Å; V536-H540 PolarHBondContact O-N 3.25Å; D537-H540 PolarHBondContact O-N 3.38Å; L538-H540 PolarHBondContact O-N 3.37Å |
| 541 | Q | 64.9 | Low | 62.9 | Low | 159 Ų | 159 | 94.1 Ų | 94.1 | 74% | 0.743 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 1 | 174.2 | -64.1 | -179.5 | 15.4 | 0 | 0 | 112.6 | L538 I539 | L538-Q541 PolarHBondContact O-N 3.43Å; L538-Q541 VanDerWaalsContact O-N 3.11Å; I539-Q541 VanDerWaalsContact C-N 3.26Å; I539-Q541 PolarHBondContact O-N 3.46Å |
| 542 | Q | 67.2 | Low | 63.1 | Low | 76 Ų | 76 | 96.2 Ų | 96.2 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -74.5 | 131.7 | -177.9 | -171.3 | 167.1 | -8.8 | 0 | 0 | 111.1 | L538 I539 L546 | L538-Q542 PolarHBondContact O-N 2.8Å; I539-Q542 WeakPolarHBondContact O-CB 3.35Å; I539-Q542 PolarHBondContact O-N 3.07Å; Q542-L546 HydrophobicContact CG-CB 3.76Å; Q542-L546 VanDerWaalsContact NE2-CB 3.31Å; Q542-L546 PolarHBondContact NE2-O 3.45Å |
| 543 | P | 71.9 | Confident | 63.2 | Low | 77 Ų | 77 | 97.5 Ų | 97.5 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | trans | -55 | 140.7 | 173 | -24.8 | 31.7 | 0 | 0 | 0 | 111.9 | A545 L546 M547 | P543-A545 PolarHBondContact O-N 2.6Å; P543-L546 HydrophobicContact CG-CD1 4.28Å; P543-L546 PolarHBondContact O-N 2.86Å; P543-M547 PolarHBondContact O-N 2.8Å | ||
| 544 | V | 76.7 | Confident | 63.5 | Low | 125 Ų | 125 | 98.2 Ų | 98.2 | 76% | 0.758 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -52.2 | -35 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | L546 M547 | V544-L546 PolarHBondContact O-N 2.98Å; V544-M547 HydrophobicContact CG2-SD 4.31Å; V544-M547 PolarHBondContact O-N 2.66Å |
| 545 | A | 74.3 | Confident | 63.8 | Low | 96 Ų | 96 | 99.2 Ų | 99.2 | 79% | 0.793 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -27.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P543 | P543-A545 PolarHBondContact O-N 2.6Å |
| 546 | L | 71.6 | Confident | 63.9 | Low | 92 Ų | 92 | 100.4 Ų | 100.4 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -95.3 | -14 | 178.9 | -60.7 | 177.7 | 0 | 0 | 0 | 112.6 | Q542 P543 V544 G548 D549 | Q542-L546 HydrophobicContact CG-CB 3.76Å; Q542-L546 VanDerWaalsContact NE2-CB 3.31Å; Q542-L546 PolarHBondContact NE2-O 3.45Å; P543-L546 HydrophobicContact CG-CD1 4.28Å; P543-L546 PolarHBondContact O-N 2.86Å; V544-L546 PolarHBondContact O-N 2.98Å; L546-G548 PolarHBondContact O-N 2.88Å; L546-D549 PolarHBondContact O-N 3.3Å |
| 547 | M | 67.5 | Low | 64 | Low | 121 Ų | 121 | 104.9 Ų | 104.9 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -20.3 | 179.7 | -64.5 | 179.5 | 73.1 | 0 | 0 | 113.1 | P543 V544 D549 | P543-M547 PolarHBondContact O-N 2.8Å; V544-M547 HydrophobicContact CG2-SD 4.31Å; V544-M547 PolarHBondContact O-N 2.66Å; M547-D549 VanDerWaalsContact C-N 3.34Å |
| 548 | G | 68.7 | Low | 63.7 | Low | 69 Ų | 69 | 105.9 Ų | 105.9 | 71% | 0.711 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 0.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L546 Y550 | L546-G548 PolarHBondContact O-N 2.88Å; G548-Y550 VanDerWaalsContact C-N 3.33Å; G548-Y550 PolarHBondContact O-N 2.88Å |
| 549 | D | 67.8 | Low | 63.4 | Low | 65 Ų | 65 | 105.9 Ų | 105.9 | 35% | 0.348 | 56% | 0.558 | S | S | . | * | trans | -80.8 | 78.3 | -179.8 | -167.6 | -11.7 | 0 | 0 | 0 | 111.2 | L546 M547 V551 N552 Y553 | L546-D549 PolarHBondContact O-N 3.3Å; M547-D549 VanDerWaalsContact C-N 3.34Å; D549-V551 PolarHBondContact O-N 2.75Å; D549-N552 PolarHBondContact OD1-N 3.21Å; D549-N552 PolarHBondContact OD2-ND2 3.5Å; D549-Y553 PolarHBondContact O-N 3.08Å | ||
| 550 | Y | 60.6 | Low | 63.1 | Low | 161 Ų | 161 | 108.7 Ų | 108.7 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.3 | -28.9 | -176.7 | -173 | -101 | 0 | 0 | 0 | 113.2 | G548 Y553 R554 | G548-Y550 VanDerWaalsContact C-N 3.33Å; G548-Y550 PolarHBondContact O-N 2.88Å; Y550-Y553 PolarHBondContact O-N 3.3Å; Y550-R554 WeakPolarHBondContact O-CB 3.35Å; Y550-R554 PolarHBondContact O-N 2.73Å |
| 551 | V | 63.9 | Low | 62.8 | Low | 93 Ų | 93 | 104.4 Ų | 104.4 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.3 | -47.8 | -177.4 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | D549 Y553 R554 N555 | D549-V551 PolarHBondContact O-N 2.75Å; V551-Y553 VanDerWaalsContact C-N 3.33Å; V551-Y553 PolarHBondContact O-N 3.28Å; V551-R554 PolarHBondContact O-N 2.68Å; V551-N555 VanDerWaalsContact O-CG 3.24Å; V551-N555 PolarHBondContact O-N 2.98Å; V551-N555 VanDerWaalsContact O-N 3.12Å; V551-N555 PolarHBondContact O-ND2 3.49Å |
| 552 | N | 61.9 | Low | 62.5 | Low | 101 Ų | 101 | 100.9 Ų | 100.9 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 175.3 | -79.1 | -30.4 | 0 | 0 | 0 | 112.4 | D549 S556 | D549-N552 PolarHBondContact OD1-N 3.21Å; D549-N552 PolarHBondContact OD2-ND2 3.5Å; N552-S556 WeakPolarHBondContact O-CB 3.46Å; N552-S556 PolarHBondContact O-N 2.7Å; N552-S556 VanDerWaalsContact O-N 3.12Å; N552-S556 PolarHBondContact O-OG 2.97Å |
| 553 | Y | 60.2 | Low | 62 | Low | 108 Ų | 108 | 104.7 Ų | 104.7 | 42% | 0.424 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -45.7 | 174.8 | -179.6 | -99.5 | 0 | 0 | 0 | 112.6 | D549 Y550 V551 S556 | D549-Y553 PolarHBondContact O-N 3.08Å; Y550-Y553 PolarHBondContact O-N 3.3Å; V551-Y553 VanDerWaalsContact C-N 3.33Å; V551-Y553 PolarHBondContact O-N 3.28Å; Y553-S556 PolarHBondContact O-N 3.09Å; Y553-S556 PolarHBondContact O-OG 2.84Å |
| 554 | R | 58.8 | Low | 61.3 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.1 | -47.8 | 178.4 | -176.9 | 177.6 | 173.5 | 159.8 | -2.9 | 111.6 | Y550 V551 S556 R557 S573 | Y550-R554 WeakPolarHBondContact O-CB 3.35Å; Y550-R554 PolarHBondContact O-N 2.73Å; V551-R554 PolarHBondContact O-N 2.68Å; R554-S556 PolarHBondContact O-N 2.96Å; R554-R557 PolarHBondContact O-N 3.05Å; R554-S573 PolarHBondContact NH2-O 2.88Å |
| 555 | N | 59 | Low | 60.5 | Low | 97 Ų | 97 | 109.1 Ų | 109.1 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -27.3 | -179 | -65.4 | -8.6 | 0 | 0 | 0 | 112.6 | V551 R557 | V551-N555 VanDerWaalsContact O-CG 3.24Å; V551-N555 PolarHBondContact O-N 2.98Å; V551-N555 VanDerWaalsContact O-N 3.12Å; V551-N555 PolarHBondContact O-ND2 3.49Å; N555-R557 VanDerWaalsContact C-N 3.28Å; N555-R557 PolarHBondContact O-N 3.04Å |
| 556 | S | 56.6 | Low | 59.9 | Low | 75 Ų | 75 | 112.5 Ų | 112.5 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -13.9 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 114.9 | N552 Y553 R554 | N552-S556 WeakPolarHBondContact O-CB 3.46Å; N552-S556 PolarHBondContact O-N 2.7Å; N552-S556 VanDerWaalsContact O-N 3.12Å; N552-S556 PolarHBondContact O-OG 2.97Å; Y553-S556 PolarHBondContact O-N 3.09Å; Y553-S556 PolarHBondContact O-OG 2.84Å; R554-S556 PolarHBondContact O-N 2.96Å |
| 557 | R | 54.9 | Low | 59 | Low | 155 Ų | 155 | 114.8 Ų | 114.8 | 59% | 0.585 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -19.1 | -178.9 | -95.9 | -172.7 | 166.8 | -164.1 | -4 | 114.3 | R554 N555 V559 | R554-R557 PolarHBondContact O-N 3.05Å; N555-R557 VanDerWaalsContact C-N 3.28Å; N555-R557 PolarHBondContact O-N 3.04Å; R557-V559 VanDerWaalsContact C-N 3.31Å; R557-V559 PolarHBondContact O-N 2.77Å |
| 558 | E | 51.8 | Low | 58.6 | Low | 137 Ų | 137 | 113 Ų | 113 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | trans | -84.1 | 74.6 | 179.6 | -69.9 | 177.6 | -167.7 | 0 | 0 | 109.8 | ||||
| 559 | V | 53.5 | Low | 58.1 | Low | 94 Ų | 94 | 116 Ų | 116 | 57% | 0.57 | 59% | 0.585 | S | S | * | * | trans | -93.8 | 116 | 164.5 | -179 | 0 | 0 | 0 | 0 | 107.2 | R557 T561 | R557-V559 VanDerWaalsContact C-N 3.31Å; R557-V559 PolarHBondContact O-N 2.77Å; V559-T561 PolarHBondContact O-N 3.42Å | ||
| 560 | E | 53 | Low | 57.5 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | trans | -56.7 | 130.1 | 177.3 | -59.2 | -170.9 | 133.6 | 0 | 0 | 110.4 | R564 | E560-R564 VanDerWaalsContact CD-NH1 3.28Å; E560-R564 IonicContact OE1-CZ 3.75Å; E560-R564 IonicContact OE1-NH1 2.69Å; E560-R564 PolarHBondContact OE1-NH1 3.1Å | ||
| 561 | T | 54.8 | Low | 57.4 | Low | 54 Ų | 54 | 120.6 Ų | 120.6 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | trans | -59.3 | 130.7 | 173.4 | 43.2 | 0 | 0 | 0 | 0 | 108.9 | V559 L563 R564 | V559-T561 PolarHBondContact O-N 3.42Å; T561-L563 PolarHBondContact O-N 3.45Å; T561-R564 PolarHBondContact O-N 2.64Å | ||
| 562 | P | 57.6 | Low | 57 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | 1.3 | -171.4 | 24 | -32.6 | 0 | 0 | 0 | 114.8 | L527 | L527-P562 HydrophobicContact CD2-CG 4.27Š|
| 563 | L | 57.9 | Low | 56.8 | Low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 54.6 | -178.6 | -65.8 | 171.4 | 0 | 0 | 0 | 111 | T561 | T561-L563 PolarHBondContact O-N 3.45Š|
| 564 | R | 56.9 | Low | 56.5 | Low | 132 Ų | 132 | 125.2 Ų | 125.2 | 50% | 0.498 | 64% | 0.643 | S | S | . | * | trans | -73.7 | 148.8 | 174.3 | -91.6 | -170.2 | -173.2 | 154 | 4.4 | 112.5 | E560 T561 | E560-R564 VanDerWaalsContact CD-NH1 3.28Å; E560-R564 IonicContact OE1-CZ 3.75Å; E560-R564 IonicContact OE1-NH1 2.69Å; E560-R564 PolarHBondContact OE1-NH1 3.1Å; T561-R564 PolarHBondContact O-N 2.64Å | ||
| 565 | E | 59.3 | Low | 56.5 | Low | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | trans | -60.7 | 140.9 | 162 | -64.4 | -178.5 | 174.9 | 0 | 0 | 109.9 | N567 | E565-N567 PolarHBondContact O-N 3.32Š| ||
| 566 | I | 60.5 | Low | 56.1 | Low | 166 Ų | 166 | 132 Ų | 132 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -61.7 | -9.1 | -174.9 | -72.3 | 157.5 | 0 | 0 | 0 | 113.3 | ||
| 567 | N | 53.4 | Low | 56.2 | Low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -145.6 | 86.4 | 175 | -77.8 | -58 | 0 | 0 | 0 | 112.4 | E565 | E565-N567 PolarHBondContact O-N 3.32Š|
| 568 | P | 60.4 | Low | 56.1 | Low | 85 Ų | 85 | 128.7 Ų | 128.7 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.2 | 173.2 | 29.6 | -31.5 | 0 | 0 | 0 | 111.5 | ||
| 569 | T | 56.9 | Low | 56.2 | Low | 131 Ų | 131 | 125.9 Ų | 125.9 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 138.7 | 174.4 | -9.7 | 0 | 0 | 0 | 0 | 110.7 | E571 | T569-E571 PolarHBondContact O-N 3.17Š|
| 570 | P | 56.1 | Low | 56 | Low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.2 | -177.7 | -5.7 | 13.2 | 0 | 0 | 0 | 112 | ||
| 571 | E | 57.1 | Low | 55.5 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 141.7 | -179.6 | -151.7 | 173.9 | -169.9 | 0 | 0 | 111.6 | T569 S573 | T569-E571 PolarHBondContact O-N 3.17Å; E571-S573 PolarHBondContact O-N 3.36Å |
| 572 | R | 55.8 | Low | 55.1 | Low | 193 Ų | 193 | 142 Ų | 142 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.3 | -175.1 | -94.5 | 177.6 | 165.2 | 152.1 | -3.8 | 111.5 | ||
| 573 | S | 58.7 | Low | 54.3 | Low | 95 Ų | 95 | 146.2 Ų | 146.2 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | -80.6 | -12.6 | -173.8 | 56.6 | 0 | 0 | 0 | 0 | 116.1 | R554 E571 | R554-S573 PolarHBondContact NH2-O 2.88Å; E571-S573 PolarHBondContact O-N 3.36Å | ||
| 574 | D | 54.1 | Low | 53.2 | Low | 111 Ų | 111 | 144.2 Ų | 144.2 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | trans | -148.8 | 125.1 | -175 | -140.8 | -21.8 | 0 | 0 | 0 | 113.7 | ||||
| 575 | T | 57.7 | Low | 52.1 | Low | 149 Ų | 149 | 141.9 Ų | 141.9 | 91% | 0.914 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -88 | 1.5 | 179.6 | 33.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 576 | F | 51.4 | Low | 50.7 | Low | 195 Ų | 195 | 138.5 Ų | 138.5 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -128.6 | 105.3 | 177.3 | -121.7 | -95.4 | 0 | 0 | 0 | 111.1 | ||
| 577 | G | 58.6 | Low | 49.7 | Very low | 62 Ų | 62 | 140.5 Ų | 140.5 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 125.9 | 155.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P579 | G577-P579 WeakPolarHBondContact O-CD 3.49Å; G577-P579 VanDerWaalsContact O-N 3.16Å |
| 578 | N | 53.3 | Low | 48.8 | Very low | 100 Ų | 100 | 139 Ų | 139 | 54% | 0.535 | 73% | 0.726 | S | S | . | * | trans | -57.6 | 116 | -173.1 | -177.3 | -13.9 | 0 | 0 | 0 | 111.7 | F580 R581 | N578-F580 PolarHBondContact O-N 2.88Å; N578-F580 PolarHBondContact OD1-N 2.91Å; N578-F580 VanDerWaalsContact OD1-N 3.11Å; N578-R581 PolarHBondContact O-N 3.17Å | ||
| 579 | P | 54.2 | Low | 47.9 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 51% | 0.506 | 74% | 0.736 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -2.5 | -172.7 | 28.1 | -34.1 | 0 | 0 | 0 | 114.5 | G577 | G577-P579 WeakPolarHBondContact O-CD 3.49Å; G577-P579 VanDerWaalsContact O-N 3.16Å |
| 580 | F | 48.2 | Very low | 46.8 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -2.5 | 178.1 | -62.1 | -76.3 | 0 | 0 | 0 | 114.1 | N578 R582 | N578-F580 PolarHBondContact O-N 2.88Å; N578-F580 PolarHBondContact OD1-N 2.91Å; N578-F580 VanDerWaalsContact OD1-N 3.11Å; F580-R582 PolarHBondContact O-N 3.13Å |
| 581 | R | 43.5 | Very low | 46.1 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -94.9 | 94.9 | 171.7 | -87.7 | -169.1 | 166.9 | -172.4 | -3.6 | 109.8 | N578 K583 | N578-R581 PolarHBondContact O-N 3.17Å; R581-K583 VanDerWaalsContact C-N 3.31Å; R581-K583 PolarHBondContact O-N 3.06Å | ||
| 582 | R | 46 | Very low | 45 | Very low | 248 Ų | 248 | 136.1 Ų | 136.1 | 94% | 0.936 | 72% | 0.722 | S | S | * | * | trans | -61.4 | 97.6 | 156.2 | -67.6 | -175 | -175.5 | 172.5 | 1.4 | 107 | F580 S584 | F580-R582 PolarHBondContact O-N 3.13Å; R582-S584 PolarHBondContact O-N 2.85Å | ||
| 583 | K | 40.9 | Very low | 43.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -68.8 | 94.5 | 165.2 | -77.7 | -174.1 | 179.7 | -179.9 | 0 | 107 | R581 T585 | R581-K583 VanDerWaalsContact C-N 3.31Å; R581-K583 PolarHBondContact O-N 3.06Å; K583-T585 PolarHBondContact O-N 3.35Å | ||
| 584 | S | 34.6 | Very low | 42.6 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -59.4 | 78.3 | 155.7 | 163.3 | 0 | 0 | 0 | 0 | 108.2 | R582 | R582-S584 PolarHBondContact O-N 2.85Š| ||
| 585 | T | 33.9 | Very low | 41.8 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 51% | 0.509 | 74% | 0.736 | S | S | . | * | trans | -154.9 | 93.2 | 170.8 | 54 | 0 | 0 | 0 | 0 | 105.6 | K583 F587 | K583-T585 PolarHBondContact O-N 3.35Å; T585-F587 PolarHBondContact O-N 3.06Å | ||
| 586 | S | 30.5 | Very low | 40.7 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | 25.8 | 82.2 | 82.4 | 77.8 | 0 | 0 | 0 | 0 | 110.6 | V588 | S586-V588 PolarHBondContact O-N 3.33Š| |||
| 587 | F | 38.2 | Very low | 39.7 | Very low | 208 Ų | 208 | 137.9 Ų | 137.9 | 91% | 0.912 | 73% | 0.728 | S | S | * | * | trans | -71.4 | 66.8 | 143.7 | -101.1 | -86.7 | 0 | 0 | 0 | 106.7 | T585 A589 | T585-F587 PolarHBondContact O-N 3.06Å; F587-A589 VanDerWaalsContact C-N 3.25Å; F587-A589 PolarHBondContact O-N 2.84Å | ||
| 588 | V | 34.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | trans | -78.7 | 92.1 | 151.4 | 168.8 | 0 | 0 | 0 | 0 | 102.3 | S586 D590 | S586-V588 PolarHBondContact O-N 3.33Å; V588-D590 HydrophobicContact CG1-CB 4.14Å; V588-D590 PolarHBondContact O-N 3.49Å | ||
| 589 | A | 41.5 | Very low | 36.9 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -73.6 | 93.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | F587 E591 | F587-A589 VanDerWaalsContact C-N 3.25Å; F587-A589 PolarHBondContact O-N 2.84Å; A589-E591 PolarHBondContact O-N 3.47Å | ||
| 590 | D | 34.7 | Very low | 35.9 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -60.9 | 106.5 | 166.7 | -171.7 | 20.1 | 0 | 0 | 0 | 108.1 | V588 | V588-D590 HydrophobicContact CG1-CB 4.14Å; V588-D590 PolarHBondContact O-N 3.49Å | ||
| 591 | E | 41.3 | Very low | 34.9 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -155.6 | 101.8 | 149.2 | -87.4 | -69.1 | 152.4 | 0 | 0 | 104.3 | A589 | A589-E591 PolarHBondContact O-N 3.47Š| ||
| 592 | G | 32.5 | Very low | 34.1 | Very low | 63 Ų | 63 | 141.3 Ų | 141.3 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -68.2 | 145.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 593 | F | 33.2 | Very low | 33.3 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | -166.6 | 128.2 | 103.6 | -141.5 | -99.3 | 0 | 0 | 0 | 108.3 | |||||
| 594 | V | 32.1 | Very low | 32.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -90.1 | 135 | 175.5 | -163.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 595 | D | 36.7 | Very low | 32.2 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 175 | 108.7 | 138.2 | -88.4 | -13 | 0 | 0 | 0 | 107.5 | ||||
| 596 | E | 35 | Very low | 32 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 91.8 | 89.9 | 91.7 | -154.4 | 176.6 | -152.2 | 0 | 0 | 108.4 | |||||
| 597 | M | 30.9 | Very low | 32.1 | Very low | 162 Ų | 162 | 139 Ų | 139 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | 62.9 | 123.1 | 90.2 | -157.1 | 150.2 | 114.1 | 0 | 0 | 113.4 | |||||
| 598 | D | 27 | Very low | 31.8 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 70.2 | 122.3 | 157.4 | -81.8 | -26.6 | 0 | 0 | 0 | 121.6 | ||||
| 599 | S | 26.2 | Very low | 31.6 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | 67.4 | 91.8 | 136.5 | 64.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 600 | L | 31.6 | Very low | 31 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -140.7 | 91 | 150 | -68.2 | 176.3 | 0 | 0 | 0 | 108.4 | ||||
| 601 | Q | 29 | Very low | 30.6 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 45.6 | 100.4 | 91.1 | -71 | -165.2 | -2.9 | 0 | 0 | 113.2 | N603 | Q601-N603 PolarHBondContact O-N 2.86Å; Q601-N603 VanDerWaalsContact O-N 3.1Å | |||
| 602 | V | 25.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -13 | 102.6 | 140.4 | -177 | 0 | 0 | 0 | 0 | 112 | ||||
| 603 | N | 28.2 | Very low | 30 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -141.9 | 124.7 | 157.3 | -94.3 | -28.5 | 0 | 0 | 0 | 111.3 | Q601 | Q601-N603 PolarHBondContact O-N 2.86Å; Q601-N603 VanDerWaalsContact O-N 3.1Å | ||
| 604 | S | 26.4 | Very low | 30 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -57.3 | 126.8 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 605 | C | 27 | Very low | 29.8 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -147.6 | 133 | 167.5 | -83.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 606 | N | 30.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -51 | 148.9 | 174.1 | -73.4 | -27.7 | 0 | 0 | 0 | 113.9 | N608 | N606-N608 PolarHBondContact O-N 3.17Š| ||
| 607 | P | 31.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 90.5 | 165.4 | 34 | -24.6 | 0 | 0 | 0 | 109.8 | ||||
| 608 | N | 31.2 | Very low | 29.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -100 | 108.5 | 149.6 | -84.8 | -16.2 | 0 | 0 | 0 | 107.2 | N606 | N606-N608 PolarHBondContact O-N 3.17Š| ||
| 609 | T | 30.9 | Very low | 29.9 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | 32.8 | 96.4 | 147.1 | 50.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 610 | V | 30.5 | Very low | 30.1 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -140 | 108.6 | 142.9 | -172.9 | 0 | 0 | 0 | 0 | 109 | L612 | V610-L612 PolarHBondContact O-N 2.86Š| ||
| 611 | S | 26.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -61 | 122.1 | 164.9 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 612 | L | 31.5 | Very low | 30.3 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | trans | -114.9 | 93.9 | 161.5 | -80.6 | 165.3 | 0 | 0 | 0 | 108.9 | V610 F614 | V610-L612 PolarHBondContact O-N 2.86Å; L612-F614 PolarHBondContact O-N 2.87Å | ||
| 613 | N | 28.2 | Very low | 30.7 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -65.5 | 110 | 163.4 | -82.9 | -22.7 | 0 | 0 | 0 | 109.1 | ||||
| 614 | F | 33.2 | Very low | 30.9 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -103.1 | 81.9 | 156.4 | -82.3 | -78.6 | 0 | 0 | 0 | 109.3 | L612 R616 | L612-F614 PolarHBondContact O-N 2.87Å; F614-R616 PolarHBondContact O-N 2.88Å | ||
| 615 | G | 28.6 | Very low | 31.2 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -74.4 | 103.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 616 | R | 34.1 | Very low | 31.8 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -90.3 | 105.1 | 162.6 | -102.7 | -176.6 | -177.2 | 179.7 | 1.8 | 109.4 | F614 | F614-R616 PolarHBondContact O-N 2.88Š| ||
| 617 | K | 33.8 | Very low | 32.2 | Very low | 205 Ų | 205 | 152.2 Ų | 152.2 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -51.5 | 130.8 | 166.6 | -76.7 | 176.1 | 172.1 | 176.2 | 0 | 110.2 | S619 | K617-S619 PolarHBondContact O-N 3.49Š| ||
| 618 | K | 29.4 | Very low | 32.3 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | trans | -61 | 120.4 | 161.2 | -74.9 | 173.9 | 172.8 | 175.8 | 0 | 108.6 | ||||
| 619 | S | 34.8 | Very low | 32.6 | Very low | 114 Ų | 114 | 156 Ų | 156 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -109.7 | 114 | 149.7 | 66.5 | 0 | 0 | 0 | 0 | 107.8 | K617 Q621 | K617-S619 PolarHBondContact O-N 3.49Å; S619-Q621 PolarHBondContact O-N 2.78Å | ||
| 620 | A | 29.7 | Very low | 32.8 | Very low | 100 Ų | 100 | 156.3 Ų | 156.3 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -66.2 | 125.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 621 | Q | 35.4 | Very low | 33.4 | Very low | 184 Ų | 184 | 159.6 Ų | 159.6 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -130.7 | 110.1 | 152.7 | -91.2 | -174 | -19.3 | 0 | 0 | 108.7 | S619 T623 | S619-Q621 PolarHBondContact O-N 2.78Å; Q621-T623 PolarHBondContact O-N 2.84Å | ||
| 622 | N | 28.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 157 Ų | 157 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -51.8 | 117 | 164.2 | -84.7 | -32 | 0 | 0 | 0 | 110.6 | ||||
| 623 | T | 35.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -153.6 | 96.1 | 150 | 38.5 | 0 | 0 | 0 | 0 | 111.5 | Q621 | Q621-T623 PolarHBondContact O-N 2.84Š| ||
| 624 | K | 32.8 | Very low | 36.8 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | 39.9 | 111.8 | 131.4 | -59.3 | 178.9 | -179.6 | 178.7 | 0 | 119 | ||||
| 625 | N | 31.8 | Very low | 38.2 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 35.3 | 127.7 | 142.1 | -65.7 | -10.7 | 0 | 0 | 0 | 119.8 | Q627 | N625-Q627 PolarHBondContact O-N 3.03Š| ||
| 626 | P | 40.9 | Very low | 40.1 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -70.9 | 109.3 | 158.6 | 30.1 | -25.7 | 0 | 0 | 0 | 107.8 | A628 | P626-A628 PolarHBondContact O-N 3Å; P626-A628 VanDerWaalsContact O-N 3.13Å | ||
| 627 | Q | 37.9 | Very low | 42 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -51.1 | 117.6 | 172.6 | -73 | 179.6 | -39.4 | 0 | 0 | 109.8 | N625 R629 | N625-Q627 PolarHBondContact O-N 3.03Å; Q627-R629 PolarHBondContact O-N 2.86Å | ||
| 628 | A | 32.7 | Very low | 43.4 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | -54 | 120.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P626 V630 | P626-A628 PolarHBondContact O-N 3Å; P626-A628 VanDerWaalsContact O-N 3.13Å; A628-V630 PolarHBondContact O-N 2.84Å | ||
| 629 | R | 38.2 | Very low | 45.2 | Very low | 244 Ų | 244 | 132.6 Ų | 132.6 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -59.8 | 112.4 | 169.3 | -78.5 | -176.2 | -175.2 | 170.3 | 1.6 | 108 | Q627 K631 | Q627-R629 PolarHBondContact O-N 2.86Å; R629-K631 PolarHBondContact O-N 3.11Å | ||
| 630 | V | 35.5 | Very low | 46.1 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 116.7 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | A628 G632 | A628-V630 PolarHBondContact O-N 2.84Å; V630-G632 PolarHBondContact O-N 2.8Å |
| 631 | K | 43.1 | Very low | 47.5 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.1 | 170.2 | -74.4 | 178.2 | 176.6 | 177.1 | 0 | 107.5 | R629 | R629-K631 PolarHBondContact O-N 3.11Š|
| 632 | G | 50.5 | Low | 49.1 | Very low | 57 Ų | 57 | 129.7 Ų | 129.7 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 157.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V630 L634 | V630-G632 PolarHBondContact O-N 2.8Å; G632-L634 PolarHBondContact O-N 2.81Å |
| 633 | P | 53.7 | Low | 50.3 | Low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130.4 | -177 | 25 | -32.5 | 0 | 0 | 0 | 110.2 | ||
| 634 | L | 53 | Low | 51.1 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.1 | 168.9 | -80.9 | 158.4 | 0 | 0 | 0 | 108.5 | G632 I638 | G632-L634 PolarHBondContact O-N 2.81Å; L634-I638 HydrophobicContact CD2-CB 4.32Å; L634-I638 HydrophobicContact CD2-CD1 4.15Å; L634-I638 HydrophobicContact CD2-CG2 4.07Å |
| 635 | P | 63.5 | Low | 52.3 | Low | 51 Ų | 51 | 131.3 Ų | 131.3 | 33% | 0.331 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 139.3 | 170.1 | -25.3 | 31.9 | 0 | 0 | 0 | 111.1 | Y637 I638 | P635-Y637 HydrophobicContact CB-CD1 3.63Å; P635-Y637 HydrophobicContact CB-CE1 3.17Å; P635-Y637 HydrophobicContact CB-CE2 4.31Å; P635-Y637 HydrophobicContact CB-CG 4.38Å; P635-Y637 HydrophobicContact CG-CE1 4.07Å; P635-Y637 PolarHBondContact O-N 2.81Å; P635-I638 HydrophobicContact CB-CG1 4.5Å; P635-I638 HydrophobicContact CG-CD1 4.21Å; P635-I638 PolarHBondContact O-N 2.96Å |
| 636 | P | 66.6 | Low | 53.3 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -9 | -170.6 | 21.4 | -32 | 0 | 0 | 0 | 115 | ||
| 637 | Y | 75.2 | Confident | 53.3 | Low | 145 Ų | 145 | 127.7 Ų | 127.7 | 57% | 0.569 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 1.4 | 174.2 | 63.9 | -98 | 0 | 0 | 0 | 114 | P635 N639 N642 | P635-Y637 HydrophobicContact CB-CD1 3.63Å; P635-Y637 HydrophobicContact CB-CE1 3.17Å; P635-Y637 HydrophobicContact CB-CE2 4.31Å; P635-Y637 HydrophobicContact CB-CG 4.38Å; P635-Y637 HydrophobicContact CG-CE1 4.07Å; P635-Y637 PolarHBondContact O-N 2.81Å; Y637-N639 PolarHBondContact O-OD1 3.18Å; Y637-N642 PolarHBondContact O-ND2 3.49Å |
| 638 | I | 62.6 | Low | 53.5 | Low | 42 Ų | 42 | 124.3 Ų | 124.3 | 22% | 0.215 | 64% | 0.639 | C | S | . | * | trans | -107.8 | 111.5 | 178.2 | -53.6 | -176.5 | 0 | 0 | 0 | 110.2 | L634 P635 W643 | L634-I638 HydrophobicContact CD2-CB 4.32Å; L634-I638 HydrophobicContact CD2-CD1 4.15Å; L634-I638 HydrophobicContact CD2-CG2 4.07Å; P635-I638 HydrophobicContact CB-CG1 4.5Å; P635-I638 HydrophobicContact CG-CD1 4.21Å; P635-I638 PolarHBondContact O-N 2.96Å; I638-W643 HydrophobicContact CG2-CB 4.18Å | ||
| 639 | N | 66.5 | Low | 54.2 | Low | 78 Ų | 78 | 129.6 Ų | 129.6 | 42% | 0.417 | 65% | 0.645 | S | S | . | * | trans | -116.1 | 167.7 | -178.9 | -13.1 | 8.8 | 0 | 0 | 0 | 108.8 | Y637 L641 N642 W643 | Y637-N639 PolarHBondContact O-OD1 3.18Å; N639-L641 PolarHBondContact O-N 3.05Å; N639-L641 VanDerWaalsContact O-N 3.11Å; N639-N642 WeakPolarHBondContact CA-OD1 2.98Å; N639-N642 WeakPolarHBondContact CB-OD1 3.21Å; N639-N642 PolarHBondContact N-OD1 3.01Å; N639-N642 PolarHBondContact O-N 3.34Å; N639-N642 VanDerWaalsContact O-N 3.08Å; N639-N642 PolarHBondContact O-OD1 2.84Å; N639-N642 PolarHBondContact OD1-ND2 3.32Å; N639-N642 PolarHBondContact OD1-OD1 3.06Å; N639-N642 VanDerWaalsContact OD1-OD1 3.05Å; N639-W643 PolarHBondContact O-N 3.04Å; N639-W643 VanDerWaalsContact O-N 3.14Å | ||
| 640 | H | 55.1 | Low | 54 | Low | 165 Ų | 165 | 123.6 Ų | 123.6 | 76% | 0.764 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -17.1 | 179.2 | 38.1 | -90.1 | 0 | 0 | 0 | 113.7 | ||
| 641 | L | 58.8 | Low | 54.1 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -24.9 | 175.6 | -78.1 | 135.7 | 0 | 0 | 0 | 113.5 | N639 | N639-L641 PolarHBondContact O-N 3.05Å; N639-L641 VanDerWaalsContact O-N 3.11Å |
| 642 | N | 68.6 | Low | 53.9 | Low | 35 Ų | 35 | 118.3 Ų | 118.3 | 19% | 0.187 | 63% | 0.631 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -120.3 | -6.1 | -165.9 | 44.3 | -23.3 | 0 | 0 | 0 | 115 | Y637 N639 R644 F645 F646 | Y637-N642 PolarHBondContact O-ND2 3.49Å; N639-N642 WeakPolarHBondContact CA-OD1 2.98Å; N639-N642 WeakPolarHBondContact CB-OD1 3.21Å; N639-N642 PolarHBondContact N-OD1 3.01Å; N639-N642 PolarHBondContact O-N 3.34Å; N639-N642 VanDerWaalsContact O-N 3.08Å; N639-N642 PolarHBondContact O-OD1 2.84Å; N639-N642 PolarHBondContact OD1-ND2 3.32Å; N639-N642 PolarHBondContact OD1-OD1 3.06Å; N639-N642 VanDerWaalsContact OD1-OD1 3.05Å; N642-R644 PolarHBondContact O-N 3.35Å; N642-R644 VanDerWaalsContact O-N 3.16Å; N642-F645 HydrophobicContact CB-CD2 4.11Å; N642-F645 PolarHBondContact O-N 3.29Å; N642-F646 WeakPolarHBondContact O-CD2 3.09Å |
| 643 | W | 54.7 | Low | 53.3 | Low | 150 Ų | 150 | 121.7 Ų | 121.7 | 57% | 0.568 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -27.7 | 175.2 | 86.7 | -79.8 | 0 | 0 | 0 | 113.9 | I638 N639 F645 | I638-W643 HydrophobicContact CG2-CB 4.18Å; N639-W643 PolarHBondContact O-N 3.04Å; N639-W643 VanDerWaalsContact O-N 3.14Å; W643-F645 VanDerWaalsContact C-N 3.34Å |
| 644 | R | 52.2 | Low | 52.4 | Low | 200 Ų | 200 | 120.1 Ų | 120.1 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -21.7 | 176.2 | -72.1 | -167.8 | 179.5 | -169.2 | 2.5 | 113.9 | N642 | N642-R644 PolarHBondContact O-N 3.35Å; N642-R644 VanDerWaalsContact O-N 3.16Å |
| 645 | F | 57.7 | Low | 51.6 | Low | 172 Ų | 172 | 119.8 Ų | 119.8 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -24.2 | 177.5 | -69.2 | -75.1 | 0 | 0 | 0 | 112.8 | N642 W643 | N642-F645 HydrophobicContact CB-CD2 4.11Å; N642-F645 PolarHBondContact O-N 3.29Å; W643-F645 VanDerWaalsContact C-N 3.34Å |
| 646 | F | 53.2 | Low | 50.1 | Low | 135 Ų | 135 | 128.7 Ų | 128.7 | 59% | 0.592 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -103.2 | 3.6 | -176.5 | -64.9 | -76.1 | 0 | 0 | 0 | 114 | N642 | N642-F646 WeakPolarHBondContact O-CD2 3.09Š|
| 647 | S | 41.1 | Very low | 48.5 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 47% | 0.469 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -77.1 | 130.3 | 173 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | K649 | S647-K649 PolarHBondContact O-N 2.97Å; S647-K649 VanDerWaalsContact O-N 3.15Å |
| 648 | P | 40.9 | Very low | 46.5 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | trans | -60.5 | 119.1 | 178.2 | -17.9 | 29.2 | 0 | 0 | 0 | 110.3 | S650 | P648-S650 PolarHBondContact O-N 3.13Š| ||
| 649 | K | 47.2 | Very low | 45.2 | Very low | 201 Ų | 201 | 138.6 Ų | 138.6 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -65.8 | 102.8 | 173.6 | -68.4 | -178.6 | -179.1 | 177.5 | 0 | 108.9 | S647 S651 | S647-K649 PolarHBondContact O-N 2.97Å; S647-K649 VanDerWaalsContact O-N 3.15Å; K649-S651 VanDerWaalsContact C-N 3.29Å; K649-S651 PolarHBondContact O-N 3Å | ||
| 650 | S | 34 | Very low | 43.8 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -74.2 | 78.8 | 173.3 | 41.9 | 0 | 0 | 0 | 0 | 110.8 | P648 | P648-S650 PolarHBondContact O-N 3.13Š| ||
| 651 | S | 38.5 | Very low | 42.7 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -175.1 | 132.5 | 153.1 | 10.5 | 0 | 0 | 0 | 0 | 109.5 | K649 V653 | K649-S651 VanDerWaalsContact C-N 3.29Å; K649-S651 PolarHBondContact O-N 3Å; S651-V653 PolarHBondContact O-N 3.45Å |
| 652 | P | 38.6 | Very low | 41.5 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -71.7 | 117.8 | 171.7 | 29.2 | -29 | 0 | 0 | 0 | 108.5 | S654 | P652-S654 PolarHBondContact O-N 3.33Š| ||
| 653 | V | 37.9 | Very low | 39.7 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -67.3 | 127.5 | 167.6 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | S651 S655 | S651-V653 PolarHBondContact O-N 3.45Å; V653-S655 PolarHBondContact O-N 3.34Å | ||
| 654 | S | 35.1 | Very low | 38.7 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -35.2 | 128.3 | 166.7 | 36.6 | 0 | 0 | 0 | 0 | 112.8 | P652 R656 | P652-S654 PolarHBondContact O-N 3.33Å; S654-R656 PolarHBondContact O-N 3.34Å | ||
| 655 | S | 35.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -33.5 | 119 | 174.3 | 51.4 | 0 | 0 | 0 | 0 | 114 | V653 | V653-S655 PolarHBondContact O-N 3.34Š| ||
| 656 | R | 31.8 | Very low | 36.4 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 124 | 159.5 | -80.7 | -177.5 | 174.2 | -173.1 | -3.1 | 108.7 | S654 S658 | S654-R656 PolarHBondContact O-N 3.34Å; R656-S658 PolarHBondContact O-N 3.04Å | ||
| 657 | R | 32.3 | Very low | 35.5 | Very low | 255 Ų | 255 | 145.6 Ų | 145.6 | 96% | 0.962 | 79% | 0.788 | S | S | * | * | trans | -70.3 | 114.5 | 159 | -79.9 | -177.1 | -176.8 | -177.5 | 0.5 | 107.6 | ||||
| 658 | S | 33.2 | Very low | 35.1 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 127 | 160.3 | 51.3 | 0 | 0 | 0 | 0 | 108.4 | R656 | R656-S658 PolarHBondContact O-N 3.04Š| ||
| 659 | L | 35.3 | Very low | 34.8 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -156.9 | 117.9 | 134.1 | -127.3 | 100.5 | 0 | 0 | 0 | 107.7 | ||||
| 660 | D | 37.3 | Very low | 33.9 | Very low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 148.6 | -179.7 | -72.8 | -47.9 | 0 | 0 | 0 | 112.4 | ||||
| 661 | N | 33.1 | Very low | 34 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 72.4 | 120.7 | 135.4 | -75.2 | -8.4 | 0 | 0 | 0 | 123.1 | ||||
| 662 | N | 34.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 68% | 0.679 | 81% | 0.806 | S | S | * | * | trans | 97.8 | 111 | 132.6 | -64.9 | -13 | 0 | 0 | 0 | 119.4 | ||||
| 663 | F | 29 | Very low | 33.4 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 27.6 | 121.6 | 133.9 | -70.3 | -90.8 | 0 | 0 | 0 | 116 | ||||
| 664 | S | 34.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | -173.4 | 157.4 | 67.2 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 665 | E | 28.9 | Very low | 33.2 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -55 | 143.5 | 175.8 | -65.4 | 166.7 | 133.1 | 0 | 0 | 114.2 | ||||
| 666 | E | 33.4 | Very low | 33.2 | Very low | 193 Ų | 193 | 155.5 Ų | 155.5 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | -178.6 | 151 | 121.7 | -98.4 | 178.5 | -175.2 | 0 | 0 | 112 | |||||
| 667 | T | 32.6 | Very low | 33.5 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -88.1 | 172.2 | -158 | 22.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 668 | P | 33.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -96.8 | 164 | -148.5 | 38.4 | -35 | 0 | 0 | 0 | 114.5 | ||||
| 669 | N | 34.3 | Very low | 33.5 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -148.5 | 142.2 | 155.3 | -98.4 | -29.3 | 0 | 0 | 0 | 113.1 | ||||
| 670 | A | 29.1 | Very low | 33.2 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 161.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 671 | I | 36 | Very low | 33.2 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -175.9 | 112 | 135.7 | -87.1 | 147 | 0 | 0 | 0 | 109.7 | ||||
| 672 | S | 35.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 54.8 | 117.4 | 132.3 | -38.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 673 | S | 29.5 | Very low | 33.1 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -16.4 | 164.3 | 147.6 | -8.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 674 | P | 37.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | -147 | 169.6 | 62.6 | 36.3 | -13.7 | 0 | 0 | 0 | 119.4 | |||||
| 675 | M | 30.7 | Very low | 33.1 | Very low | 161 Ų | 161 | 143 Ų | 143 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -56.4 | 152.3 | -176.1 | -66.3 | 159.4 | 61.3 | 0 | 0 | 117 | ||||
| 676 | Y | 35.6 | Very low | 33.5 | Very low | 237 Ų | 237 | 142.6 Ų | 142.6 | 93% | 0.929 | 80% | 0.801 | S | S | * | * | trans | -139.3 | 146.9 | 141.8 | -98.2 | -83.5 | 0 | 0 | 0 | 110.2 | ||||
| 677 | T | 36.9 | Very low | 33.6 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 154.8 | -156 | 42.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 678 | D | 29.2 | Very low | 33.4 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -92.8 | 135.1 | 176.3 | -156.4 | 9.3 | 0 | 0 | 0 | 109.4 | ||||
| 679 | D | 37.6 | Very low | 33.5 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -134 | 116.2 | 173.5 | -104.3 | -23.8 | 0 | 0 | 0 | 109.4 | ||||
| 680 | S | 29.3 | Very low | 33.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -114 | 142.3 | 172.6 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 681 | P | 37.6 | Very low | 33.7 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -107.9 | 114.3 | 162.5 | 29.3 | -16.4 | 0 | 0 | 0 | 112.9 | ||||
| 682 | S | 34.9 | Very low | 33.5 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | 48.9 | 122.3 | 129.4 | 62.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 683 | L | 28.5 | Very low | 33.5 | Very low | 154 Ų | 154 | 149 Ų | 149 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -46.7 | 146.2 | 155.8 | -70 | 143.6 | 0 | 0 | 0 | 116.1 | ||||
| 684 | I | 36.2 | Very low | 33.7 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 86% | 0.862 | 81% | 0.813 | S | S | * | * | trans | -131.1 | 118 | 145.8 | -65.5 | -179.8 | 0 | 0 | 0 | 108.7 | ||||
| 685 | N | 28.6 | Very low | 33.5 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 68% | 0.679 | 81% | 0.81 | S | S | * | * | trans | -68.9 | 157.2 | 172.5 | -78 | -43 | 0 | 0 | 0 | 112.1 | ||||
| 686 | H | 36.9 | Very low | 33.7 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | -173.4 | 137.1 | 121.7 | -95 | -64.6 | 0 | 0 | 0 | 113.9 | |||||
| 687 | S | 34.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | 63.3 | 101.4 | 159.1 | 55.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 688 | R | 29.9 | Very low | 33.5 | Very low | 234 Ų | 234 | 151 Ų | 151 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | 52.1 | 107.9 | 74.6 | -77.8 | -170.6 | -175.2 | 167.2 | 3 | 115.2 | |||||
| 689 | F | 35.5 | Very low | 33.7 | Very low | 225 Ų | 225 | 149 Ų | 149 | 99% | 0.987 | 81% | 0.808 | S | S | * | * | -145.7 | 133 | 123 | -91.7 | -76.5 | 0 | 0 | 0 | 109.4 | |||||
| 690 | A | 32.1 | Very low | 33.4 | Very low | 78 Ų | 78 | 146 Ų | 146 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | trans | -97.8 | 154.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 691 | N | 36.1 | Very low | 33.6 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 109.5 | 141.1 | -93.3 | -24.2 | 0 | 0 | 0 | 108.4 | ||||
| 692 | Q | 31.7 | Very low | 33.3 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 140.7 | 172.5 | -74.9 | 173 | -10.2 | 0 | 0 | 109.9 | ||||
| 693 | A | 34.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -148.2 | 99.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 694 | V | 33.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 67.4 | 111.5 | 137.9 | -167.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 695 | I | 33 | Very low | 33.6 | Very low | 151 Ų | 151 | 154 Ų | 154 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 134.5 | 164.8 | -66.1 | 158.3 | 0 | 0 | 0 | 110.4 | ||||
| 696 | K | 35.1 | Very low | 34.6 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -147.9 | 114.4 | 136.9 | -78.1 | -165.4 | 178.9 | 174.4 | 0 | 110.3 | ||||
| 697 | K | 31.5 | Very low | 35.8 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -89.2 | -179 | 165.2 | -100.3 | -173.7 | 176.6 | 178.7 | 0 | 108.6 | ||||
| 698 | P | 38.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -139.5 | 168.2 | -47.7 | 38.6 | -22 | 0 | 0 | 0 | 112.2 | ||||
| 699 | S | 32.3 | Very low | 40.1 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 163.9 | 128 | 130.9 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 700 | S | 31.7 | Very low | 42.2 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | 53.6 | 107.7 | 151.2 | 60.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 701 | F | 34 | Very low | 44.5 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | 175 | 110.5 | 119 | -101.7 | -79 | 0 | 0 | 0 | 109.9 | |||||
| 702 | D | 30.8 | Very low | 46.8 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | trans | 46.2 | 132.4 | 142.2 | -66.4 | -34.1 | 0 | 0 | 0 | 124.5 | ||||
| 703 | T | 32.9 | Very low | 49.4 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | trans | 88.5 | 110.6 | 146.8 | 50.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 704 | R | 35.7 | Very low | 52 | Low | 204 Ų | 204 | 125.4 Ų | 125.4 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | 76.4 | 76.6 | 147.7 | -60 | -179.9 | -172.1 | -176.5 | 4.3 | 119.4 | ||||
| 705 | N | 38 | Very low | 54.7 | Low | 171 Ų | 171 | 119 Ų | 119 | 91% | 0.914 | 62% | 0.618 | S | S | * | * | trans | -100.4 | 82.5 | 153.1 | -79.6 | -18.3 | 0 | 0 | 0 | 110.5 | S707 | N705-S707 PolarHBondContact O-N 3.16Š| ||
| 706 | T | 48.7 | Very low | 57.3 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | trans | -64.7 | 116.6 | 156.9 | 43.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 707 | S | 62.5 | Low | 59.9 | Low | 62 Ų | 62 | 113.3 Ų | 113.3 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | trans | -55.7 | 141.3 | -176 | 73.4 | 0 | 0 | 0 | 0 | 111.5 | N705 L709 E710 S711 | N705-S707 PolarHBondContact O-N 3.16Å; S707-L709 PolarHBondContact O-N 3.47Å; S707-E710 PolarHBondContact O-N 2.8Å; S707-S711 PolarHBondContact O-N 3.26Å | ||
| 708 | S | 73.7 | Confident | 62.6 | Low | 90 Ų | 90 | 104.3 Ų | 104.3 | 63% | 0.629 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.5 | -23.7 | -178.5 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | F712 | S708-F712 WeakPolarHBondContact O-CB 3.48Å; S708-F712 PolarHBondContact O-N 2.93Å; S708-F712 VanDerWaalsContact O-N 3.09Å |
| 709 | L | 80.2 | Confident | 65.1 | Low | 102 Ų | 102 | 100.7 Ų | 100.7 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 174.5 | -172.7 | 64.6 | 0 | 0 | 0 | 112.6 | S707 F712 K713 | S707-L709 PolarHBondContact O-N 3.47Å; L709-F712 PolarHBondContact O-N 3.38Å; L709-K713 WeakPolarHBondContact O-CG 3.43Å; L709-K713 PolarHBondContact O-N 2.79Å |
| 710 | E | 81.1 | Confident | 67.8 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.3 | -43.2 | 176.5 | -73.3 | -157.3 | 160.9 | 0 | 0 | 111.9 | S707 F712 K713 L714 | S707-E710 PolarHBondContact O-N 2.8Å; E710-F712 VanDerWaalsContact C-N 3.26Å; E710-F712 PolarHBondContact O-N 3.46Å; E710-K713 PolarHBondContact O-N 3.01Å; E710-L714 WeakPolarHBondContact O-CB 3.16Å; E710-L714 PolarHBondContact O-N 2.81Å |
| 711 | S | 80.7 | Confident | 70.4 | Confident | 6 Ų | 6 | 100.3 Ų | 100.3 | 4% | 0.042 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 172 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | S707 L714 N715 T745 | S707-S711 PolarHBondContact O-N 3.26Å; S711-L714 PolarHBondContact O-N 3.08Å; S711-N715 VanDerWaalsContact O-CB 3.27Å; S711-N715 WeakPolarHBondContact O-CB 3.31Å; S711-N715 PolarHBondContact O-N 2.97Å; S711-N715 PolarHBondContact O-ND2 2.85Å; S711-N715 PolarHBondContact O-OD1 3.23Å; S711-T745 PolarHBondContact OG-OG1 3.37Å |
| 712 | F | 84.2 | Confident | 73 | Confident | 111 Ų | 111 | 91.2 Ų | 91.2 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.4 | -177.8 | -96.1 | 0 | 0 | 0 | 112.9 | S708 L709 E710 K716 | S708-F712 WeakPolarHBondContact O-CB 3.48Å; S708-F712 PolarHBondContact O-N 2.93Å; S708-F712 VanDerWaalsContact O-N 3.09Å; L709-F712 PolarHBondContact O-N 3.38Å; E710-F712 VanDerWaalsContact C-N 3.26Å; E710-F712 PolarHBondContact O-N 3.46Å; F712-K716 VanDerWaalsContact O-CB 3.31Å; F712-K716 WeakPolarHBondContact O-CB 3.28Å; F712-K716 PolarHBondContact O-N 2.9Å |
| 713 | K | 86.4 | Confident | 75.7 | Confident | 134 Ų | 134 | 85.8 Ų | 85.8 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 177.4 | -75.6 | 177.2 | -178.2 | 178.4 | 0 | 111.8 | L709 E710 K716 K717 | L709-K713 WeakPolarHBondContact O-CG 3.43Å; L709-K713 PolarHBondContact O-N 2.79Å; E710-K713 PolarHBondContact O-N 3.01Å; K713-K716 PolarHBondContact O-N 2.98Å; K713-K717 PolarHBondContact O-N 2.87Å |
| 714 | L | 88.4 | Confident | 78.3 | Confident | 80 Ų | 80 | 85.4 Ų | 85.4 | 42% | 0.419 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -51.4 | 177.5 | -178 | 65.6 | 0 | 0 | 0 | 111.1 | E710 S711 K716 K717 I718 T745 | E710-L714 WeakPolarHBondContact O-CB 3.16Å; E710-L714 PolarHBondContact O-N 2.81Å; S711-L714 PolarHBondContact O-N 3.08Å; L714-K716 PolarHBondContact O-N 2.65Å; L714-K717 WeakPolarHBondContact O-CB 3.12Å; L714-K717 PolarHBondContact O-N 3.26Å; L714-I718 HydrophobicContact CD1-CD1 4.28Å; L714-I718 HydrophobicContact CD2-CD1 4.47Å; L714-I718 HydrophobicContact CG-CD1 3.9Å; L714-I718 WeakPolarHBondContact O-CG1 3.29Å; L714-I718 PolarHBondContact O-N 3.06Å; L714-T745 HydrophobicContact CD2-CG2 4.21Å |
| 715 | N | 90.1 | Very high | 80.7 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.027 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.1 | -35.3 | 178.2 | -71.4 | -4.2 | 0 | 0 | 0 | 111.8 | S711 M719 L744 T745 V754 | S711-N715 VanDerWaalsContact O-CB 3.27Å; S711-N715 WeakPolarHBondContact O-CB 3.31Å; S711-N715 PolarHBondContact O-N 2.97Å; S711-N715 PolarHBondContact O-ND2 2.85Å; S711-N715 PolarHBondContact O-OD1 3.23Å; N715-M719 WeakPolarHBondContact O-CB 3.49Å; N715-M719 PolarHBondContact O-N 3.33Å; N715-L744 HydrophobicContact CB-CD2 4.16Å; N715-T745 PolarHBondContact ND2-O 3.29Å; N715-T745 PolarHBondContact OD1-N 3.13Å; N715-T745 PolarHBondContact OD1-O 3.27Å; N715-V754 HydrophobicContact CB-CG2 4.28Å |
| 716 | K | 88 | Confident | 82.9 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.2 | -173.6 | 175.4 | 179.7 | 178.1 | 0 | 112.3 | F712 K713 L714 M719 F720 | F712-K716 VanDerWaalsContact O-CB 3.31Å; F712-K716 WeakPolarHBondContact O-CB 3.28Å; F712-K716 PolarHBondContact O-N 2.9Å; K713-K716 PolarHBondContact O-N 2.98Å; L714-K716 PolarHBondContact O-N 2.65Å; K716-M719 HydrophobicContact CG-CE 4.41Å; K716-F720 HydrophobicContact CD-CE2 4.39Å; K716-F720 HydrophobicContact CG-CD2 4.19Å; K716-F720 HydrophobicContact CG-CE2 3.75Å; K716-F720 WeakPolarHBondContact O-CD2 3.38Å; K716-F720 PolarHBondContact O-N 3.44Å |
| 717 | K | 89.2 | Confident | 84.7 | Confident | 136 Ų | 136 | 69 Ų | 69 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.3 | -50.6 | 175.6 | -172.8 | -177.4 | 174.6 | -172.5 | 0 | 111.2 | K713 L714 M719 F720 E721 | K713-K717 PolarHBondContact O-N 2.87Å; L714-K717 WeakPolarHBondContact O-CB 3.12Å; L714-K717 PolarHBondContact O-N 3.26Å; K717-M719 VanDerWaalsContact C-N 3.29Å; K717-M719 PolarHBondContact O-N 2.67Å; K717-F720 PolarHBondContact O-N 2.7Å; K717-F720 VanDerWaalsContact O-N 3.17Å; K717-E721 PolarHBondContact O-N 2.88Å |
| 718 | I | 88.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -44 | 177.9 | -65.8 | 168.3 | 0 | 0 | 0 | 110.7 | L714 F720 E721 L722 R740 E743 L744 | L714-I718 HydrophobicContact CD1-CD1 4.28Å; L714-I718 HydrophobicContact CD2-CD1 4.47Å; L714-I718 HydrophobicContact CG-CD1 3.9Å; L714-I718 WeakPolarHBondContact O-CG1 3.29Å; L714-I718 PolarHBondContact O-N 3.06Å; I718-F720 PolarHBondContact O-N 3.45Å; I718-E721 WeakPolarHBondContact O-CB 3.47Å; I718-E721 PolarHBondContact O-N 3.36Å; I718-E721 VanDerWaalsContact O-N 3.17Å; I718-L722 HydrophobicContact CG2-CD1 3.64Å; I718-L722 HydrophobicContact CG2-CG 4.11Å; I718-L722 WeakPolarHBondContact O-CB 3.42Å; I718-L722 WeakPolarHBondContact O-CG 3.44Å; I718-L722 PolarHBondContact O-N 2.79Å; I718-R740 WeakPolarHBondContact CG2-O 3.43Å; I718-E743 HydrophobicContact CD1-CB 3.76Å; I718-E743 WeakPolarHBondContact CD1-O 3.43Å; I718-L744 HydrophobicContact CB-CD2 4.19Å; I718-L744 HydrophobicContact CD1-CD2 4.35Å; I718-L744 HydrophobicContact CG2-CD2 3.82Å; I718-L744 HydrophobicContact CG2-CG 4.45Å |
| 719 | M | 90 | Very high | 85.2 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 177.9 | 174.3 | -123.7 | -67.7 | 0 | 0 | 112.7 | N715 K716 K717 E721 L722 I723 V754 M757 | N715-M719 WeakPolarHBondContact O-CB 3.49Å; N715-M719 PolarHBondContact O-N 3.33Å; K716-M719 HydrophobicContact CG-CE 4.41Å; K717-M719 VanDerWaalsContact C-N 3.29Å; K717-M719 PolarHBondContact O-N 2.67Å; M719-E721 VanDerWaalsContact C-N 3.34Å; M719-L722 PolarHBondContact O-N 3.35Å; M719-I723 HydrophobicContact CG-CD1 3.88Å; M719-I723 WeakPolarHBondContact O-CB 3.43Å; M719-I723 VanDerWaalsContact O-CG1 3.24Å; M719-I723 WeakPolarHBondContact O-CG1 3.45Å; M719-I723 PolarHBondContact O-N 3.44Å; M719-I723 HydrophobicContact SD-CD1 3.93Å; M719-V754 HydrophobicContact CB-CG1 3.88Å; M719-V754 HydrophobicContact CB-CG2 4.34Å; M719-V754 HydrophobicContact CG-CG1 4.13Å; M719-M757 HydrophobicContact CE-CE 3.28Å; M719-M757 HydrophobicContact CG-CE 3.55Å; M719-M757 HydrophobicContact SD-CE 3.15Å; M719-M757 WeakPolarHBondContact SD-CE 3.06Å; M719-M757 HydrophobicContact SD-SD 4.22Å |
| 720 | F | 88.1 | Confident | 84.6 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | 175.5 | -79.2 | -62.8 | 0 | 0 | 0 | 112.5 | K716 K717 I718 H724 | K716-F720 HydrophobicContact CD-CE2 4.39Å; K716-F720 HydrophobicContact CG-CD2 4.19Å; K716-F720 HydrophobicContact CG-CE2 3.75Å; K716-F720 WeakPolarHBondContact O-CD2 3.38Å; K716-F720 PolarHBondContact O-N 3.44Å; K717-F720 PolarHBondContact O-N 2.7Å; K717-F720 VanDerWaalsContact O-N 3.17Å; I718-F720 PolarHBondContact O-N 3.45Å; F720-H724 PolarHBondContact O-N 2.84Å |
| 721 | E | 87.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 175.2 | -67.3 | 177.6 | -167 | 0 | 0 | 111.1 | K717 I718 M719 I723 H724 L725 R740 | K717-E721 PolarHBondContact O-N 2.88Å; I718-E721 WeakPolarHBondContact O-CB 3.47Å; I718-E721 PolarHBondContact O-N 3.36Å; I718-E721 VanDerWaalsContact O-N 3.17Å; M719-E721 VanDerWaalsContact C-N 3.34Å; E721-I723 PolarHBondContact O-N 2.7Å; E721-H724 WeakPolarHBondContact O-CB 3.49Å; E721-H724 PolarHBondContact O-N 2.9Å; E721-H724 VanDerWaalsContact O-N 3.13Å; E721-L725 PolarHBondContact O-N 2.75Å; E721-R740 IonicContact OE2-NE 3.81Å |
| 722 | L | 89.2 | Confident | 83 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.5 | -71.5 | 173.1 | 0 | 0 | 0 | 112 | I718 M719 H724 L725 V726 L737 R740 M741 L758 | I718-L722 HydrophobicContact CG2-CD1 3.64Å; I718-L722 HydrophobicContact CG2-CG 4.11Å; I718-L722 WeakPolarHBondContact O-CB 3.42Å; I718-L722 WeakPolarHBondContact O-CG 3.44Å; I718-L722 PolarHBondContact O-N 2.79Å; M719-L722 PolarHBondContact O-N 3.35Å; L722-H724 VanDerWaalsContact C-N 3.28Å; L722-H724 PolarHBondContact O-N 2.84Å; L722-L725 HydrophobicContact CD2-CD1 4.45Å; L722-L725 PolarHBondContact O-N 3.21Å; L722-V726 WeakPolarHBondContact O-CG2 3.49Å; L722-V726 PolarHBondContact O-N 3.17Å; L722-L737 HydrophobicContact CD2-CG 4.13Å; L722-L737 WeakPolarHBondContact CD2-O 3.43Å; L722-R740 HydrophobicContact CD2-CB 3.63Å; L722-R740 HydrophobicContact CG-CB 4.21Å; L722-M741 HydrophobicContact CD1-CG 3.69Å; L722-M741 HydrophobicContact CD2-CG 4.16Å; L722-L758 HydrophobicContact CB-CD1 3.81Å; L722-L758 HydrophobicContact CB-CD2 3.49Å; L722-L758 VanDerWaalsContact CB-CD2 3.49Å; L722-L758 HydrophobicContact CB-CG 4.27Å; L722-L758 HydrophobicContact CD1-CD1 3.58Å; L722-L758 HydrophobicContact CG-CD1 4.22Å |
| 723 | I | 87.6 | Confident | 82.6 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 173.7 | -73.7 | 168.2 | 0 | 0 | 0 | 110.4 | M719 E721 V726 R727 M757 L758 E761 | M719-I723 HydrophobicContact CG-CD1 3.88Å; M719-I723 WeakPolarHBondContact O-CB 3.43Å; M719-I723 VanDerWaalsContact O-CG1 3.24Å; M719-I723 WeakPolarHBondContact O-CG1 3.45Å; M719-I723 PolarHBondContact O-N 3.44Å; M719-I723 HydrophobicContact SD-CD1 3.93Å; E721-I723 PolarHBondContact O-N 2.7Å; I723-V726 PolarHBondContact O-N 3.45Å; I723-R727 HydrophobicContact CG2-CG 4.44Å; I723-R727 WeakPolarHBondContact O-CB 3.5Å; I723-R727 VanDerWaalsContact O-CG 3.23Å; I723-R727 WeakPolarHBondContact O-CG 3.26Å; I723-R727 PolarHBondContact O-N 3.39Å; I723-M757 HydrophobicContact CD1-CG 4.36Å; I723-M757 HydrophobicContact CD1-SD 4.43Å; I723-L758 HydrophobicContact CG1-CD2 3.94Å; I723-E761 HydrophobicContact CG2-CG 4.26Å |
| 724 | H | 86.6 | Confident | 81.8 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.5 | -173.3 | 70.4 | 0 | 0 | 0 | 111.4 | F720 E721 L722 V726 R727 Q728 | F720-H724 PolarHBondContact O-N 2.84Å; E721-H724 WeakPolarHBondContact O-CB 3.49Å; E721-H724 PolarHBondContact O-N 2.9Å; E721-H724 VanDerWaalsContact O-N 3.13Å; L722-H724 VanDerWaalsContact C-N 3.28Å; L722-H724 PolarHBondContact O-N 2.84Å; H724-V726 PolarHBondContact O-N 2.94Å; H724-R727 PolarHBondContact O-N 2.94Å; H724-R727 VanDerWaalsContact O-N 3.14Å; H724-Q728 PolarHBondContact NE2-NE2 3.4Å; H724-Q728 WeakPolarHBondContact O-CG 3.4Å; H724-Q728 PolarHBondContact O-N 3.43Å |
| 725 | L | 85.1 | Confident | 81.2 | Confident | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.1 | -69.6 | 171.7 | 0 | 0 | 0 | 112.2 | E721 L722 R727 Q728 L736 | E721-L725 PolarHBondContact O-N 2.75Å; L722-L725 HydrophobicContact CD2-CD1 4.45Å; L722-L725 PolarHBondContact O-N 3.21Å; L725-R727 PolarHBondContact O-N 3.42Å; L725-Q728 PolarHBondContact O-N 2.89Å; L725-L736 HydrophobicContact CD1-CD2 4.04Å; L725-L736 HydrophobicContact CD1-CG 4.15Å; L725-L736 HydrophobicContact CD2-CD2 3.9Å |
| 726 | V | 85.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -22.5 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 112.5 | L722 I723 H724 L737 L758 E761 A762 R767 L770 | L722-V726 WeakPolarHBondContact O-CG2 3.49Å; L722-V726 PolarHBondContact O-N 3.17Å; I723-V726 PolarHBondContact O-N 3.45Å; H724-V726 PolarHBondContact O-N 2.94Å; V726-L737 HydrophobicContact CG2-CD1 3.94Å; V726-L758 HydrophobicContact CG2-CD2 4.06Å; V726-E761 HydrophobicContact CG1-CB 4.12Å; V726-E761 HydrophobicContact CG1-CG 4.17Å; V726-A762 HydrophobicContact CG1-CB 4.17Å; V726-R767 VanDerWaalsContact C-NH1 3.31Å; V726-R767 PolarHBondContact O-NH1 3.04Å; V726-L770 HydrophobicContact CG1-CD2 4.29Å; V726-L770 HydrophobicContact CG2-CD2 4.13Å |
| 727 | R | 85.6 | Confident | 80.6 | Confident | 108 Ų | 108 | 65 Ų | 65 | 41% | 0.408 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -89.8 | -18.7 | 178.1 | -72.6 | -177.3 | 174.4 | 169.1 | 10.2 | 114.8 | I723 H724 L725 E761 F765 | I723-R727 HydrophobicContact CG2-CG 4.44Å; I723-R727 WeakPolarHBondContact O-CB 3.5Å; I723-R727 VanDerWaalsContact O-CG 3.23Å; I723-R727 WeakPolarHBondContact O-CG 3.26Å; I723-R727 PolarHBondContact O-N 3.39Å; H724-R727 PolarHBondContact O-N 2.94Å; H724-R727 VanDerWaalsContact O-N 3.14Å; L725-R727 PolarHBondContact O-N 3.42Å; R727-E761 HydrophobicContact CG-CG 4.33Å; R727-E761 IonicContact CZ-OE1 3.58Å; R727-E761 IonicContact NE-OE1 3Å; R727-E761 PolarHBondContact NE-OE1 3.07Å; R727-E761 VanDerWaalsContact NH2-CD 3.35Å; R727-E761 IonicContact NH2-OE1 2.8Å; R727-E761 PolarHBondContact NH2-OE1 3.18Å; R727-E761 IonicContact NH2-OE2 3.67Å; R727-E761 PolarHBondContact NH2-OE2 3.08Å; R727-F765 HydrophobicContact CB-CE2 4.42Å; R727-F765 HydrophobicContact CB-CZ 4.15Å; R727-F765 HydrophobicContact CG-CD2 4.24Å; R727-F765 HydrophobicContact CG-CE1 4.45Å; R727-F765 HydrophobicContact CG-CE2 3.56Å; R727-F765 HydrophobicContact CG-CZ 3.66Å |
| 728 | Q | 80.2 | Confident | 80.5 | Confident | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | trans | -61.8 | 134.7 | -177.5 | -77.1 | 180 | -3.1 | 0 | 0 | 110.8 | H724 L725 Y730 R767 | H724-Q728 PolarHBondContact NE2-NE2 3.4Å; H724-Q728 WeakPolarHBondContact O-CG 3.4Å; H724-Q728 PolarHBondContact O-N 3.43Å; L725-Q728 PolarHBondContact O-N 2.89Å; Q728-Y730 VanDerWaalsContact C-N 3.25Å; Q728-Y730 PolarHBondContact O-N 3.27Å; Q728-R767 PolarHBondContact O-NH1 2.81Å; Q728-R767 PolarHBondContact O-NH2 2.92Å | ||
| 729 | P | 66.3 | Low | 80.2 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -69.7 | -17.5 | -171.9 | 25.5 | -33.2 | 0 | 0 | 0 | 114.5 | ||
| 730 | Y | 67.8 | Low | 80 | Confident | 181 Ų | 181 | 66.5 Ų | 66.5 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -92.1 | 175.5 | -179 | -49.3 | -70.8 | 0 | 0 | 0 | 112 | Q728 V732 R767 | Q728-Y730 VanDerWaalsContact C-N 3.25Å; Q728-Y730 PolarHBondContact O-N 3.27Å; Y730-V732 PolarHBondContact O-N 3.14Å; Y730-V732 VanDerWaalsContact O-N 3.12Å; Y730-R767 PolarHBondContact O-NH2 2.85Å |
| 731 | T | 63.6 | Low | 79.9 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 66% | 0.656 | 30% | 0.3 | S | S | * | . | trans | -46.8 | 117.3 | 174.7 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | D733 | T731-D733 PolarHBondContact O-N 3.36Š| ||
| 732 | V | 65.8 | Low | 79.7 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | trans | -64.1 | 123.1 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 107 | Y730 A734 L737 L770 | Y730-V732 PolarHBondContact O-N 3.14Å; Y730-V732 VanDerWaalsContact O-N 3.12Å; V732-A734 VanDerWaalsContact C-N 3.3Å; V732-A734 PolarHBondContact O-N 3.1Å; V732-L737 HydrophobicContact CG1-CB 4.28Å; V732-L737 HydrophobicContact CG1-CD1 3.64Å; V732-L770 HydrophobicContact CG2-CD2 4.46Å | ||
| 733 | D | 74.4 | Confident | 79.6 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | trans | -67.4 | 95.1 | 170.6 | -168 | -13.3 | 0 | 0 | 0 | 108.2 | T731 V735 L736 L737 | T731-D733 PolarHBondContact O-N 3.36Å; D733-V735 PolarHBondContact O-N 3.42Å; D733-V735 PolarHBondContact OD1-N 3.49Å; D733-L736 HydrophobicContact CB-CB 4.02Å; D733-L736 PolarHBondContact O-N 3.44Å; D733-L737 PolarHBondContact O-N 2.78Å | ||
| 734 | A | 71.1 | Confident | 79.5 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -32.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V732 L737 F738 I803 | V732-A734 VanDerWaalsContact C-N 3.3Å; V732-A734 PolarHBondContact O-N 3.1Å; A734-L737 PolarHBondContact O-N 2.69Å; A734-F738 HydrophobicContact CB-CD2 4.48Å; A734-F738 HydrophobicContact CB-CE2 4.45Å; A734-F738 WeakPolarHBondContact O-CD2 3.48Å; A734-F738 PolarHBondContact O-N 3.45Å; A734-I803 HydrophobicContact CB-CD1 4.19Å; A734-I803 HydrophobicContact CB-CG2 3.79Å |
| 735 | V | 75.4 | Confident | 79.4 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -51.4 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | D733 L737 F738 D739 | D733-V735 PolarHBondContact O-N 3.42Å; D733-V735 PolarHBondContact OD1-N 3.49Å; V735-L737 VanDerWaalsContact C-N 3.3Å; V735-L737 PolarHBondContact O-N 3.14Å; V735-F738 PolarHBondContact O-N 3.3Å; V735-D739 WeakPolarHBondContact O-CB 3.48Å; V735-D739 VanDerWaalsContact O-CG 3.27Å; V735-D739 PolarHBondContact O-N 2.84Å |
| 736 | L | 81.4 | Confident | 79.3 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 177.3 | -174.9 | 66.3 | 0 | 0 | 0 | 112.4 | L725 D733 R740 | L725-L736 HydrophobicContact CD1-CD2 4.04Å; L725-L736 HydrophobicContact CD1-CG 4.15Å; L725-L736 HydrophobicContact CD2-CD2 3.9Å; D733-L736 HydrophobicContact CB-CB 4.02Å; D733-L736 PolarHBondContact O-N 3.44Å; L736-R740 WeakPolarHBondContact O-CB 3.49Å; L736-R740 WeakPolarHBondContact O-CG 3.45Å; L736-R740 PolarHBondContact O-N 3.23Å |
| 737 | L | 84.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 178.6 | -175 | 147.2 | 0 | 0 | 0 | 111.5 | L722 V726 V732 D733 A734 V735 M741 L770 L774 | L722-L737 HydrophobicContact CD2-CG 4.13Å; L722-L737 WeakPolarHBondContact CD2-O 3.43Å; V726-L737 HydrophobicContact CG2-CD1 3.94Å; V732-L737 HydrophobicContact CG1-CB 4.28Å; V732-L737 HydrophobicContact CG1-CD1 3.64Å; D733-L737 PolarHBondContact O-N 2.78Å; A734-L737 PolarHBondContact O-N 2.69Å; V735-L737 VanDerWaalsContact C-N 3.3Å; V735-L737 PolarHBondContact O-N 3.14Å; L737-M741 HydrophobicContact CD2-SD 3.59Å; L737-M741 VanDerWaalsContact CD2-SD 3.59Å; L737-M741 WeakPolarHBondContact O-CG 3.26Å; L737-M741 PolarHBondContact O-N 3.32Å; L737-M741 VanDerWaalsContact O-N 3.1Å; L737-L770 HydrophobicContact CD1-CD1 4.08Å; L737-L770 HydrophobicContact CD1-CD2 4.39Å; L737-L774 HydrophobicContact CD2-CD2 4.1Å |
| 738 | F | 86.3 | Confident | 79.1 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.5 | -32.8 | -179.8 | -72.4 | -66.5 | 0 | 0 | 0 | 112.8 | A734 V735 M741 N742 L773 W777 | A734-F738 HydrophobicContact CB-CD2 4.48Å; A734-F738 HydrophobicContact CB-CE2 4.45Å; A734-F738 WeakPolarHBondContact O-CD2 3.48Å; A734-F738 PolarHBondContact O-N 3.45Å; V735-F738 PolarHBondContact O-N 3.3Å; F738-M741 HydrophobicContact CD1-SD 4.31Å; F738-M741 HydrophobicContact CE1-SD 4.45Å; F738-M741 PolarHBondContact O-N 3.28Å; F738-N742 PolarHBondContact O-N 3.45Å; F738-N742 PolarHBondContact O-ND2 3.06Å; F738-L773 HydrophobicContact CZ-CB 3.97Å; F738-W777 AromaticContact CD1-CD1 3.75Å; F738-W777 HydrophobicContact CD1-CG 4.34Å; F738-W777 HydrophobicContact CE1-CB 4.13Å; F738-W777 AromaticContact CE1-CD1 3.88Å; F738-W777 HydrophobicContact CE1-CG 4.13Å |
| 739 | D | 83.7 | Confident | 79.2 | Confident | 86 Ų | 86 | 61 Ų | 61 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 173 | -77.6 | -15.3 | 0 | 0 | 0 | 111.3 | V735 M741 N742 | V735-D739 WeakPolarHBondContact O-CB 3.48Å; V735-D739 VanDerWaalsContact O-CG 3.27Å; V735-D739 PolarHBondContact O-N 2.84Å; D739-M741 VanDerWaalsContact C-N 3.32Å; D739-M741 PolarHBondContact O-N 3.06Å; D739-N742 WeakPolarHBondContact O-CB 3.32Å; D739-N742 PolarHBondContact O-N 2.98Å |
| 740 | R | 84.2 | Confident | 80 | Confident | 86 Ų | 86 | 58.7 Ų | 58.7 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.4 | -30.7 | 175.3 | -71.6 | -61 | -175.5 | -170.6 | -2.9 | 113.2 | I718 E721 L722 L736 N742 E743 | I718-R740 WeakPolarHBondContact CG2-O 3.43Å; E721-R740 IonicContact OE2-NE 3.81Å; L722-R740 HydrophobicContact CD2-CB 3.63Å; L722-R740 HydrophobicContact CG-CB 4.21Å; L736-R740 WeakPolarHBondContact O-CB 3.49Å; L736-R740 WeakPolarHBondContact O-CG 3.45Å; L736-R740 PolarHBondContact O-N 3.23Å; R740-N742 VanDerWaalsContact C-N 3.31Å; R740-E743 WeakPolarHBondContact CD-OE2 3.41Å; R740-E743 IonicContact CZ-OE1 3.04Å; R740-E743 IonicContact CZ-OE2 2.72Å; R740-E743 IonicContact NE-OE1 3.51Å; R740-E743 VanDerWaalsContact NH1-CD 3.26Å; R740-E743 IonicContact NH1-OE1 3.66Å; R740-E743 PolarHBondContact NH1-OE1 2.83Å; R740-E743 IonicContact NH1-OE2 3.41Å; R740-E743 PolarHBondContact NH1-OE2 3.45Å; R740-E743 WeakPolarHBondContact O-CB 3.37Å; R740-E743 PolarHBondContact O-N 2.8Å |
| 741 | M | 85.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69 | -30.6 | 173.3 | -74.4 | 179.9 | 56.2 | 0 | 0 | 112.5 | L722 L737 F738 D739 E743 L744 V755 L758 L774 W777 | L722-M741 HydrophobicContact CD1-CG 3.69Å; L722-M741 HydrophobicContact CD2-CG 4.16Å; L737-M741 HydrophobicContact CD2-SD 3.59Å; L737-M741 VanDerWaalsContact CD2-SD 3.59Å; L737-M741 WeakPolarHBondContact O-CG 3.26Å; L737-M741 PolarHBondContact O-N 3.32Å; L737-M741 VanDerWaalsContact O-N 3.1Å; F738-M741 HydrophobicContact CD1-SD 4.31Å; F738-M741 HydrophobicContact CE1-SD 4.45Å; F738-M741 PolarHBondContact O-N 3.28Å; D739-M741 VanDerWaalsContact C-N 3.32Å; D739-M741 PolarHBondContact O-N 3.06Å; M741-E743 PolarHBondContact O-N 2.82Å; M741-L744 WeakPolarHBondContact O-CB 3.38Å; M741-L744 VanDerWaalsContact O-CG 3.31Å; M741-L744 WeakPolarHBondContact O-CG 3.49Å; M741-L744 PolarHBondContact O-N 3.07Å; M741-V755 HydrophobicContact CE-CG1 4.29Å; M741-V755 HydrophobicContact CE-CG2 3.84Å; M741-L758 HydrophobicContact CG-CD1 4.48Å; M741-L758 HydrophobicContact SD-CD1 4.22Å; M741-L774 HydrophobicContact CE-CD2 3.93Å; M741-L774 HydrophobicContact SD-CD2 3.62Å; M741-W777 HydrophobicContact CB-CH2 4.29Å; M741-W777 HydrophobicContact CB-CZ2 3.92Å; M741-W777 HydrophobicContact CE-CD2 3.36Å; M741-W777 HydrophobicContact CE-CE3 3.28Å; M741-W777 HydrophobicContact CE-CG 3.95Å; M741-W777 HydrophobicContact CE-CH2 3.89Å; M741-W777 HydrophobicContact CE-CZ2 3.98Å; M741-W777 HydrophobicContact CE-CZ3 3.57Å |
| 742 | N | 84.6 | Confident | 82.1 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -17.7 | 174 | -68 | -29.8 | 0 | 0 | 0 | 113.1 | F738 D739 R740 L744 | F738-N742 PolarHBondContact O-N 3.45Å; F738-N742 PolarHBondContact O-ND2 3.06Å; D739-N742 WeakPolarHBondContact O-CB 3.32Å; D739-N742 PolarHBondContact O-N 2.98Å; R740-N742 VanDerWaalsContact C-N 3.31Å; N742-L744 VanDerWaalsContact C-N 3.29Å |
| 743 | E | 86.5 | Confident | 83.1 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.3 | 174.7 | -63.3 | 175.8 | -172.2 | 0 | 0 | 113.4 | I718 R740 M741 T745 | I718-E743 HydrophobicContact CD1-CB 3.76Å; I718-E743 WeakPolarHBondContact CD1-O 3.43Å; R740-E743 WeakPolarHBondContact CD-OE2 3.41Å; R740-E743 IonicContact CZ-OE1 3.04Å; R740-E743 IonicContact CZ-OE2 2.72Å; R740-E743 IonicContact NE-OE1 3.51Å; R740-E743 VanDerWaalsContact NH1-CD 3.26Å; R740-E743 IonicContact NH1-OE1 3.66Å; R740-E743 PolarHBondContact NH1-OE1 2.83Å; R740-E743 IonicContact NH1-OE2 3.41Å; R740-E743 PolarHBondContact NH1-OE2 3.45Å; R740-E743 WeakPolarHBondContact O-CB 3.37Å; R740-E743 PolarHBondContact O-N 2.8Å; M741-E743 PolarHBondContact O-N 2.82Å; E743-T745 PolarHBondContact O-N 2.72Å |
| 744 | L | 85.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | trans | -66.6 | 126.6 | 178.6 | -66.4 | 172.8 | 0 | 0 | 0 | 111.3 | N715 I718 M741 N742 R751 V754 W777 | N715-L744 HydrophobicContact CB-CD2 4.16Å; I718-L744 HydrophobicContact CB-CD2 4.19Å; I718-L744 HydrophobicContact CD1-CD2 4.35Å; I718-L744 HydrophobicContact CG2-CD2 3.82Å; I718-L744 HydrophobicContact CG2-CG 4.45Å; M741-L744 WeakPolarHBondContact O-CB 3.38Å; M741-L744 VanDerWaalsContact O-CG 3.31Å; M741-L744 WeakPolarHBondContact O-CG 3.49Å; M741-L744 PolarHBondContact O-N 3.07Å; N742-L744 VanDerWaalsContact C-N 3.29Å; L744-R751 HydrophobicContact CB-CG 4.1Å; L744-R751 VanDerWaalsContact O-CZ 3.26Å; L744-R751 PolarHBondContact O-NE 2.93Å; L744-R751 PolarHBondContact O-NH1 3.34Å; L744-V754 HydrophobicContact CD1-CB 4.24Å; L744-V754 HydrophobicContact CD1-CG1 4.05Å; L744-V754 HydrophobicContact CD2-CB 4.34Å; L744-V754 HydrophobicContact CD2-CG1 4.01Å; L744-V754 HydrophobicContact CD2-CG2 4.26Å; L744-W777 HydrophobicContact CD1-CH2 4.42Å | ||
| 745 | T | 84.6 | Confident | 84.7 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | trans | -115 | 177.9 | -178.6 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | S711 L714 N715 E743 | S711-T745 PolarHBondContact OG-OG1 3.37Å; L714-T745 HydrophobicContact CD2-CG2 4.21Å; N715-T745 PolarHBondContact ND2-O 3.29Å; N715-T745 PolarHBondContact OD1-N 3.13Å; N715-T745 PolarHBondContact OD1-O 3.27Å; E743-T745 PolarHBondContact O-N 2.72Å | ||
| 746 | G | 82.2 | Confident | 85.4 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 84.5 | -168.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R751 | G746-R751 PolarHBondContact O-NE 2.94Å; G746-R751 PolarHBondContact O-NH2 3.45Å; G746-R751 VanDerWaalsContact O-NH2 3.1Å |
| 747 | S | 83.9 | Confident | 85.7 | Confident | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | trans | -64 | 154.3 | -175 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | G749 Q750 R751 | S747-G749 VanDerWaalsContact C-N 3.28Å; S747-G749 PolarHBondContact O-N 2.88Å; S747-Q750 WeakPolarHBondContact O-CB 3.4Å; S747-Q750 PolarHBondContact O-N 3.16Å; S747-Q750 VanDerWaalsContact OG-CG 3.32Å; S747-Q750 WeakPolarHBondContact OG-CG 3.49Å; S747-Q750 PolarHBondContact OG-N 3.36Å; S747-R751 PolarHBondContact O-N 3.49Å | ||
| 748 | I | 82.7 | Confident | 86 | Confident | 70 Ų | 70 | 47 Ų | 47 | 36% | 0.359 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -49.5 | -46.5 | 176.6 | -174.9 | 66.9 | 0 | 0 | 0 | 112.7 | Q750 R751 E752 L781 L782 | I748-Q750 VanDerWaalsContact C-N 3.29Å; I748-Q750 PolarHBondContact O-N 2.92Å; I748-R751 PolarHBondContact O-N 2.87Å; I748-R751 VanDerWaalsContact O-N 3.07Å; I748-E752 WeakPolarHBondContact O-CB 3.5Å; I748-E752 PolarHBondContact O-N 2.92Å; I748-L781 HydrophobicContact CD1-CB 4.49Å; I748-L781 HydrophobicContact CD1-CD1 4.31Å; I748-L781 HydrophobicContact CD1-CD2 3.4Å; I748-L781 HydrophobicContact CD1-CG 3.44Å; I748-L781 VanDerWaalsContact CD1-CG 3.44Å; I748-L781 WeakPolarHBondContact CD1-O 3.35Å; I748-L781 HydrophobicContact CG1-CD2 4.38Å; I748-L782 HydrophobicContact CG1-CD2 4.3Å |
| 749 | G | 83 | Confident | 86.1 | Confident | 37 Ų | 37 | 46 Ų | 46 | 38% | 0.381 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -31.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S747 A753 | S747-G749 VanDerWaalsContact C-N 3.28Å; S747-G749 PolarHBondContact O-N 2.88Å; G749-A753 VanDerWaalsContact O-CB 3.28Å; G749-A753 WeakPolarHBondContact O-CB 3.33Å; G749-A753 PolarHBondContact O-N 3.21Å |
| 750 | Q | 83.5 | Confident | 86.3 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 173.8 | -76 | 177.6 | -20.2 | 0 | 0 | 111.7 | S747 I748 V754 | S747-Q750 WeakPolarHBondContact O-CB 3.4Å; S747-Q750 PolarHBondContact O-N 3.16Å; S747-Q750 VanDerWaalsContact OG-CG 3.32Å; S747-Q750 WeakPolarHBondContact OG-CG 3.49Å; S747-Q750 PolarHBondContact OG-N 3.36Å; I748-Q750 VanDerWaalsContact C-N 3.29Å; I748-Q750 PolarHBondContact O-N 2.92Å; Q750-V754 PolarHBondContact O-N 2.99Å |
| 751 | R | 87.2 | Confident | 86.5 | Confident | 89 Ų | 89 | 42.1 Ų | 42.1 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.1 | -43.6 | 179.2 | -56.7 | -174.8 | -164.3 | -171 | 4.1 | 111 | L744 G746 S747 I748 A753 V754 V755 L781 | L744-R751 HydrophobicContact CB-CG 4.1Å; L744-R751 VanDerWaalsContact O-CZ 3.26Å; L744-R751 PolarHBondContact O-NE 2.93Å; L744-R751 PolarHBondContact O-NH1 3.34Å; G746-R751 PolarHBondContact O-NE 2.94Å; G746-R751 PolarHBondContact O-NH2 3.45Å; G746-R751 VanDerWaalsContact O-NH2 3.1Å; S747-R751 PolarHBondContact O-N 3.49Å; I748-R751 PolarHBondContact O-N 2.87Å; I748-R751 VanDerWaalsContact O-N 3.07Å; R751-A753 VanDerWaalsContact C-N 3.29Å; R751-A753 PolarHBondContact O-N 2.87Å; R751-V754 PolarHBondContact O-N 2.89Å; R751-V754 VanDerWaalsContact O-N 3.16Å; R751-V755 VanDerWaalsContact O-CG2 3.25Å; R751-V755 WeakPolarHBondContact O-CG2 3.48Å; R751-V755 PolarHBondContact O-N 2.94Å; R751-V755 VanDerWaalsContact O-N 3.12Å; R751-L781 HydrophobicContact CB-CD1 3.94Å; R751-L781 HydrophobicContact CB-CD2 4.06Å |
| 752 | E | 88.5 | Confident | 86.5 | Confident | 64 Ų | 64 | 42 Ų | 42 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 176.2 | -168 | -163.2 | 168.1 | 0 | 0 | 112 | I748 V754 V755 S756 R778 L781 | I748-E752 WeakPolarHBondContact O-CB 3.5Å; I748-E752 PolarHBondContact O-N 2.92Å; E752-V754 VanDerWaalsContact C-N 3.34Å; E752-V754 PolarHBondContact O-N 3.33Å; E752-V755 PolarHBondContact O-N 3.43Å; E752-S756 WeakPolarHBondContact O-CB 3.43Å; E752-S756 PolarHBondContact O-N 2.93Å; E752-S756 PolarHBondContact O-OG 2.89Å; E752-R778 HydrophobicContact CG-CG 4.25Å; E752-L781 HydrophobicContact CB-CD2 4.04Å |
| 753 | A | 86.1 | Confident | 86.5 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G749 R751 M757 | G749-A753 VanDerWaalsContact O-CB 3.28Å; G749-A753 WeakPolarHBondContact O-CB 3.33Å; G749-A753 PolarHBondContact O-N 3.21Å; R751-A753 VanDerWaalsContact C-N 3.29Å; R751-A753 PolarHBondContact O-N 2.87Å; A753-M757 PolarHBondContact O-N 2.66Å |
| 754 | V | 88.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | N715 M719 L744 Q750 R751 E752 S756 M757 L758 | N715-V754 HydrophobicContact CB-CG2 4.28Å; M719-V754 HydrophobicContact CB-CG1 3.88Å; M719-V754 HydrophobicContact CB-CG2 4.34Å; M719-V754 HydrophobicContact CG-CG1 4.13Å; L744-V754 HydrophobicContact CD1-CB 4.24Å; L744-V754 HydrophobicContact CD1-CG1 4.05Å; L744-V754 HydrophobicContact CD2-CB 4.34Å; L744-V754 HydrophobicContact CD2-CG1 4.01Å; L744-V754 HydrophobicContact CD2-CG2 4.26Å; Q750-V754 PolarHBondContact O-N 2.99Å; R751-V754 PolarHBondContact O-N 2.89Å; R751-V754 VanDerWaalsContact O-N 3.16Å; E752-V754 VanDerWaalsContact C-N 3.34Å; E752-V754 PolarHBondContact O-N 3.33Å; V754-S756 PolarHBondContact O-N 2.77Å; V754-M757 PolarHBondContact O-N 3.2Å; V754-L758 HydrophobicContact CG1-CD1 4.23Å; V754-L758 WeakPolarHBondContact O-CG 3.41Å; V754-L758 PolarHBondContact O-N 3.31Å |
| 755 | V | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | M741 R751 E752 M757 L758 M759 W777 R778 | M741-V755 HydrophobicContact CE-CG1 4.29Å; M741-V755 HydrophobicContact CE-CG2 3.84Å; R751-V755 VanDerWaalsContact O-CG2 3.25Å; R751-V755 WeakPolarHBondContact O-CG2 3.48Å; R751-V755 PolarHBondContact O-N 2.94Å; R751-V755 VanDerWaalsContact O-N 3.12Å; E752-V755 PolarHBondContact O-N 3.43Å; V755-M757 VanDerWaalsContact C-N 3.25Å; V755-M757 PolarHBondContact O-N 3.31Å; V755-L758 WeakPolarHBondContact O-CB 3.32Å; V755-L758 PolarHBondContact O-N 2.97Å; V755-L758 VanDerWaalsContact O-N 3.08Å; V755-M759 HydrophobicContact CG1-CG 4.45Å; V755-M759 HydrophobicContact CG1-SD 4.22Å; V755-M759 WeakPolarHBondContact O-CG 3.45Å; V755-M759 PolarHBondContact O-N 3.34Å; V755-W777 HydrophobicContact CG1-CE3 4.25Å; V755-W777 HydrophobicContact CG2-CE3 3.63Å; V755-W777 HydrophobicContact CG2-CH2 4.24Å; V755-W777 HydrophobicContact CG2-CZ3 3.22Å; V755-R778 HydrophobicContact CG1-CB 4Å; V755-R778 HydrophobicContact CG1-CG 4.42Å |
| 756 | S | 89.2 | Confident | 86.2 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -34.9 | 178.8 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | E752 V754 S760 | E752-S756 WeakPolarHBondContact O-CB 3.43Å; E752-S756 PolarHBondContact O-N 2.93Å; E752-S756 PolarHBondContact O-OG 2.89Å; V754-S756 PolarHBondContact O-N 2.77Å; S756-S760 PolarHBondContact O-N 3.04Å; S756-S760 VanDerWaalsContact O-N 3.11Å; S756-S760 PolarHBondContact O-OG 3.04Å |
| 757 | M | 88.5 | Confident | 86.2 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 36% | 0.36 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.5 | -37.2 | 173.9 | -173.5 | 156.4 | 40.9 | 0 | 0 | 112.4 | M719 I723 A753 V754 V755 S760 E761 | M719-M757 HydrophobicContact CE-CE 3.28Å; M719-M757 HydrophobicContact CG-CE 3.55Å; M719-M757 HydrophobicContact SD-CE 3.15Å; M719-M757 WeakPolarHBondContact SD-CE 3.06Å; M719-M757 HydrophobicContact SD-SD 4.22Å; I723-M757 HydrophobicContact CD1-CG 4.36Å; I723-M757 HydrophobicContact CD1-SD 4.43Å; A753-M757 PolarHBondContact O-N 2.66Å; V754-M757 PolarHBondContact O-N 3.2Å; V755-M757 VanDerWaalsContact C-N 3.25Å; V755-M757 PolarHBondContact O-N 3.31Å; M757-S760 WeakPolarHBondContact O-CB 3.4Å; M757-S760 PolarHBondContact O-N 2.86Å; M757-E761 PolarHBondContact O-N 3.27Å |
| 758 | L | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 173.2 | -67.6 | 168.3 | 0 | 0 | 0 | 112.5 | L722 I723 V726 M741 V754 V755 S760 E761 A762 L774 | L722-L758 HydrophobicContact CB-CD1 3.81Å; L722-L758 HydrophobicContact CB-CD2 3.49Å; L722-L758 VanDerWaalsContact CB-CD2 3.49Å; L722-L758 HydrophobicContact CB-CG 4.27Å; L722-L758 HydrophobicContact CD1-CD1 3.58Å; L722-L758 HydrophobicContact CG-CD1 4.22Å; I723-L758 HydrophobicContact CG1-CD2 3.94Å; V726-L758 HydrophobicContact CG2-CD2 4.06Å; M741-L758 HydrophobicContact CG-CD1 4.48Å; M741-L758 HydrophobicContact SD-CD1 4.22Å; V754-L758 HydrophobicContact CG1-CD1 4.23Å; V754-L758 WeakPolarHBondContact O-CG 3.41Å; V754-L758 PolarHBondContact O-N 3.31Å; V755-L758 WeakPolarHBondContact O-CB 3.32Å; V755-L758 PolarHBondContact O-N 2.97Å; V755-L758 VanDerWaalsContact O-N 3.08Å; L758-S760 VanDerWaalsContact C-N 3.3Å; L758-S760 PolarHBondContact O-N 3.28Å; L758-E761 PolarHBondContact O-N 3.2Å; L758-A762 WeakPolarHBondContact O-CB 3.41Å; L758-A762 PolarHBondContact O-N 2.95Å; L758-L774 HydrophobicContact CB-CD1 4.09Å |
| 759 | M | 89.6 | Confident | 86 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 173.6 | -70.4 | 173.4 | 71.3 | 0 | 0 | 111.2 | V755 A762 L763 Y771 L774 | V755-M759 HydrophobicContact CG1-CG 4.45Å; V755-M759 HydrophobicContact CG1-SD 4.22Å; V755-M759 WeakPolarHBondContact O-CG 3.45Å; V755-M759 PolarHBondContact O-N 3.34Å; M759-A762 PolarHBondContact O-N 3.28Å; M759-L763 PolarHBondContact O-N 3.24Å; M759-L763 VanDerWaalsContact O-N 3.08Å; M759-Y771 HydrophobicContact CB-CD2 3.97Å; M759-Y771 HydrophobicContact CB-CE2 4.07Å; M759-Y771 HydrophobicContact CE-CD2 4.03Å; M759-Y771 HydrophobicContact CE-CE2 3.43Å; M759-Y771 VanDerWaalsContact CE-CE2 3.43Å; M759-Y771 HydrophobicContact CG-CD2 4.4Å; M759-L774 HydrophobicContact CG-CB 3.62Å; M759-L774 HydrophobicContact CG-CD1 4.15Å |
| 760 | S | 87.5 | Confident | 86.1 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.9 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | S756 M757 L758 L763 R764 | S756-S760 PolarHBondContact O-N 3.04Å; S756-S760 VanDerWaalsContact O-N 3.11Å; S756-S760 PolarHBondContact O-OG 3.04Å; M757-S760 WeakPolarHBondContact O-CB 3.4Å; M757-S760 PolarHBondContact O-N 2.86Å; L758-S760 VanDerWaalsContact C-N 3.3Å; L758-S760 PolarHBondContact O-N 3.28Å; S760-L763 PolarHBondContact O-N 3.37Å; S760-R764 WeakPolarHBondContact O-CB 3.21Å; S760-R764 PolarHBondContact O-N 3.04Å |
| 761 | E | 87.7 | Confident | 86.3 | Confident | 19 Ų | 19 | 57 Ų | 57 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 176.3 | -157.2 | 71.6 | -153.3 | 0 | 0 | 112 | I723 V726 R727 M757 L758 L763 R764 F765 | I723-E761 HydrophobicContact CG2-CG 4.26Å; V726-E761 HydrophobicContact CG1-CB 4.12Å; V726-E761 HydrophobicContact CG1-CG 4.17Å; R727-E761 HydrophobicContact CG-CG 4.33Å; R727-E761 IonicContact CZ-OE1 3.58Å; R727-E761 IonicContact NE-OE1 3Å; R727-E761 PolarHBondContact NE-OE1 3.07Å; R727-E761 VanDerWaalsContact NH2-CD 3.35Å; R727-E761 IonicContact NH2-OE1 2.8Å; R727-E761 PolarHBondContact NH2-OE1 3.18Å; R727-E761 IonicContact NH2-OE2 3.67Å; R727-E761 PolarHBondContact NH2-OE2 3.08Å; M757-E761 PolarHBondContact O-N 3.27Å; L758-E761 PolarHBondContact O-N 3.2Å; E761-L763 PolarHBondContact O-N 3.32Å; E761-R764 WeakPolarHBondContact O-CB 3.41Å; E761-R764 PolarHBondContact O-N 3.48Å; E761-R764 IonicContact OE1-NH1 3.21Å; E761-R764 PolarHBondContact OE1-NH1 3.37Å; E761-R764 VanDerWaalsContact OE1-NH1 3.15Å; E761-R764 IonicContact OE2-NH1 3.1Å; E761-F765 HydrophobicContact CG-CD2 4.4Å; E761-F765 HydrophobicContact CG-CE2 4.46Å; E761-F765 WeakPolarHBondContact O-CD2 3.02Å; E761-F765 PolarHBondContact O-N 3.42Å; E761-F765 VanDerWaalsContact O-N 3.15Å; E761-F765 WeakPolarHBondContact OE1-CE2 3.37Å |
| 762 | A | 86.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V726 L758 M759 F765 R766 R767 L770 L774 | V726-A762 HydrophobicContact CG1-CB 4.17Å; L758-A762 WeakPolarHBondContact O-CB 3.41Å; L758-A762 PolarHBondContact O-N 2.95Å; M759-A762 PolarHBondContact O-N 3.28Å; A762-F765 CarbonylContact O-C 3.47Å; A762-F765 PolarHBondContact O-N 2.86Å; A762-R766 PolarHBondContact O-N 3.38Å; A762-R767 HydrophobicContact CB-CB 4.39Å; A762-R767 PolarHBondContact O-N 2.98Å; A762-L770 HydrophobicContact CB-CD2 4.09Å; A762-L770 HydrophobicContact CB-CG 4.31Å; A762-L774 HydrophobicContact CB-CD1 4.27Å |
| 763 | L | 85.1 | Confident | 86 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 174.6 | -74.2 | 173.3 | 0 | 0 | 0 | 112.3 | V182 M759 S760 E761 F765 R766 Y771 | V182-L763 HydrophobicContact CB-CD1 4.47Å; V182-L763 HydrophobicContact CG2-CD1 3.64Å; M759-L763 PolarHBondContact O-N 3.24Å; M759-L763 VanDerWaalsContact O-N 3.08Å; S760-L763 PolarHBondContact O-N 3.37Å; E761-L763 PolarHBondContact O-N 3.32Å; L763-F765 PolarHBondContact O-N 3.06Å; L763-R766 PolarHBondContact O-N 3.47Å; L763-Y771 HydrophobicContact CD1-CD2 3.66Å; L763-Y771 HydrophobicContact CD1-CE2 3.53Å; L763-Y771 HydrophobicContact CD1-CG 4.49Å; L763-Y771 HydrophobicContact CD2-CD2 3.95Å; L763-Y771 HydrophobicContact CD2-CE2 4.42Å; L763-Y771 HydrophobicContact CD2-CG 3.98Å; L763-Y771 HydrophobicContact CG-CD2 3.56Å; L763-Y771 HydrophobicContact CG-CE2 3.99Å; L763-Y771 HydrophobicContact CG-CG 4.09Å |
| 764 | R | 85 | Confident | 86.1 | Confident | 171 Ų | 171 | 52.7 Ų | 52.7 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.4 | -34.8 | 175.3 | -173.2 | -176.2 | 179.3 | -169.5 | 2.9 | 112.4 | S760 E761 | S760-R764 WeakPolarHBondContact O-CB 3.21Å; S760-R764 PolarHBondContact O-N 3.04Å; E761-R764 WeakPolarHBondContact O-CB 3.41Å; E761-R764 PolarHBondContact O-N 3.48Å; E761-R764 IonicContact OE1-NH1 3.21Å; E761-R764 PolarHBondContact OE1-NH1 3.37Å; E761-R764 VanDerWaalsContact OE1-NH1 3.15Å; E761-R764 IonicContact OE2-NH1 3.1Å |
| 765 | F | 83.2 | Confident | 86 | Confident | 78 Ų | 78 | 54 Ų | 54 | 34% | 0.342 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 14.5 | 176.3 | -76.7 | -95.4 | 0 | 0 | 0 | 113.8 | R727 E761 A762 L763 R767 | R727-F765 HydrophobicContact CB-CE2 4.42Å; R727-F765 HydrophobicContact CB-CZ 4.15Å; R727-F765 HydrophobicContact CG-CD2 4.24Å; R727-F765 HydrophobicContact CG-CE1 4.45Å; R727-F765 HydrophobicContact CG-CE2 3.56Å; R727-F765 HydrophobicContact CG-CZ 3.66Å; E761-F765 HydrophobicContact CG-CD2 4.4Å; E761-F765 HydrophobicContact CG-CE2 4.46Å; E761-F765 WeakPolarHBondContact O-CD2 3.02Å; E761-F765 PolarHBondContact O-N 3.42Å; E761-F765 VanDerWaalsContact O-N 3.15Å; E761-F765 WeakPolarHBondContact OE1-CE2 3.37Å; A762-F765 CarbonylContact O-C 3.47Å; A762-F765 PolarHBondContact O-N 2.86Å; L763-F765 PolarHBondContact O-N 3.06Å; F765-R767 VanDerWaalsContact C-N 3.26Å; F765-R767 HydrophobicContact CB-CG 4.29Å; F765-R767 PolarHBondContact O-N 3.45Å |
| 766 | R | 82.5 | Confident | 85.8 | Confident | 231 Ų | 231 | 58.9 Ų | 58.9 | 87% | 0.872 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.4 | 178.7 | -57.2 | -176 | 178 | -172.6 | -0.9 | 114.1 | A762 L763 S768 | A762-R766 PolarHBondContact O-N 3.38Å; L763-R766 PolarHBondContact O-N 3.47Å; R766-S768 PolarHBondContact O-N 3.16Å |
| 767 | R | 80.4 | Confident | 85.7 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -93.5 | 70.9 | 179.1 | -63.9 | -176.1 | 160.6 | -175.8 | -19.3 | 111.2 | V726 Q728 Y730 A762 F765 C769 L770 Y771 | V726-R767 VanDerWaalsContact C-NH1 3.31Å; V726-R767 PolarHBondContact O-NH1 3.04Å; Q728-R767 PolarHBondContact O-NH1 2.81Å; Q728-R767 PolarHBondContact O-NH2 2.92Å; Y730-R767 PolarHBondContact O-NH2 2.85Å; A762-R767 HydrophobicContact CB-CB 4.39Å; A762-R767 PolarHBondContact O-N 2.98Å; F765-R767 VanDerWaalsContact C-N 3.26Å; F765-R767 HydrophobicContact CB-CG 4.29Å; F765-R767 PolarHBondContact O-N 3.45Å; R767-C769 PolarHBondContact O-N 3.46Å; R767-L770 HydrophobicContact CB-CB 4.05Å; R767-L770 HydrophobicContact CB-CD2 4.44Å; R767-L770 PolarHBondContact O-N 2.95Å; R767-Y771 PolarHBondContact O-N 2.83Å | ||
| 768 | S | 81.5 | Confident | 85.6 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | -175.2 | 52 | 0 | 0 | 0 | 0 | 113.8 | R766 L770 Y771 V772 | R766-S768 PolarHBondContact O-N 3.16Å; S768-L770 VanDerWaalsContact C-N 3.33Å; S768-L770 PolarHBondContact O-N 3.1Å; S768-Y771 WeakPolarHBondContact O-CB 3.39Å; S768-Y771 PolarHBondContact O-N 3.29Å; S768-V772 PolarHBondContact O-N 2.56Å; S768-V772 VanDerWaalsContact O-N 3.09Å |
| 769 | C | 81.4 | Confident | 85.3 | Confident | 52 Ų | 52 | 62 Ų | 62 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | R767 Y771 V772 L773 L808 | R767-C769 PolarHBondContact O-N 3.46Å; C769-Y771 VanDerWaalsContact C-N 3.34Å; C769-V772 PolarHBondContact O-N 3.35Å; C769-L773 PolarHBondContact O-N 3.17Å; C769-L773 VanDerWaalsContact O-N 3.15Å; C769-L808 HydrophobicContact CB-CD2 4.09Å |
| 770 | L | 85 | Confident | 84.8 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.9 | -179.7 | 62.8 | 0 | 0 | 0 | 111.4 | V726 V732 L737 A762 R767 S768 V772 L773 L774 | V726-L770 HydrophobicContact CG1-CD2 4.29Å; V726-L770 HydrophobicContact CG2-CD2 4.13Å; V732-L770 HydrophobicContact CG2-CD2 4.46Å; L737-L770 HydrophobicContact CD1-CD1 4.08Å; L737-L770 HydrophobicContact CD1-CD2 4.39Å; A762-L770 HydrophobicContact CB-CD2 4.09Å; A762-L770 HydrophobicContact CB-CG 4.31Å; R767-L770 HydrophobicContact CB-CB 4.05Å; R767-L770 HydrophobicContact CB-CD2 4.44Å; R767-L770 PolarHBondContact O-N 2.95Å; S768-L770 VanDerWaalsContact C-N 3.33Å; S768-L770 PolarHBondContact O-N 3.1Å; L770-V772 VanDerWaalsContact C-N 3.3Å; L770-V772 PolarHBondContact O-N 3.42Å; L770-L773 PolarHBondContact O-N 3.35Å; L770-L774 HydrophobicContact CD1-CD1 4.46Å; L770-L774 HydrophobicContact CD1-CG 4.32Å; L770-L774 HydrophobicContact CG-CD1 4.06Å; L770-L774 HydrophobicContact CG-CG 4.37Å; L770-L774 WeakPolarHBondContact O-CB 3.46Å; L770-L774 WeakPolarHBondContact O-CG 3.38Å; L770-L774 PolarHBondContact O-N 3.4Å |
| 771 | Y | 87.1 | Confident | 84.5 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.6 | 171 | -90.6 | 0 | 0 | 0 | 111.9 | M759 L763 R767 S768 C769 L774 S775 | M759-Y771 HydrophobicContact CB-CD2 3.97Å; M759-Y771 HydrophobicContact CB-CE2 4.07Å; M759-Y771 HydrophobicContact CE-CD2 4.03Å; M759-Y771 HydrophobicContact CE-CE2 3.43Å; M759-Y771 VanDerWaalsContact CE-CE2 3.43Å; M759-Y771 HydrophobicContact CG-CD2 4.4Å; L763-Y771 HydrophobicContact CD1-CD2 3.66Å; L763-Y771 HydrophobicContact CD1-CE2 3.53Å; L763-Y771 HydrophobicContact CD1-CG 4.49Å; L763-Y771 HydrophobicContact CD2-CD2 3.95Å; L763-Y771 HydrophobicContact CD2-CE2 4.42Å; L763-Y771 HydrophobicContact CD2-CG 3.98Å; L763-Y771 HydrophobicContact CG-CD2 3.56Å; L763-Y771 HydrophobicContact CG-CE2 3.99Å; L763-Y771 HydrophobicContact CG-CG 4.09Å; R767-Y771 PolarHBondContact O-N 2.83Å; S768-Y771 WeakPolarHBondContact O-CB 3.39Å; S768-Y771 PolarHBondContact O-N 3.29Å; C769-Y771 VanDerWaalsContact C-N 3.34Å; Y771-L774 PolarHBondContact O-N 2.84Å; Y771-S775 WeakPolarHBondContact O-CB 3.5Å; Y771-S775 PolarHBondContact O-N 3.3Å |
| 772 | V | 85.5 | Confident | 84 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | S768 C769 L770 L774 S775 E776 | S768-V772 PolarHBondContact O-N 2.56Å; S768-V772 VanDerWaalsContact O-N 3.09Å; C769-V772 PolarHBondContact O-N 3.35Å; L770-V772 VanDerWaalsContact C-N 3.3Å; L770-V772 PolarHBondContact O-N 3.42Å; V772-L774 VanDerWaalsContact C-N 3.34Å; V772-L774 PolarHBondContact O-N 3.03Å; V772-S775 WeakPolarHBondContact O-CB 3.44Å; V772-S775 PolarHBondContact O-N 2.87Å; V772-S775 VanDerWaalsContact O-N 3.07Å; V772-S775 PolarHBondContact O-OG 3.33Å; V772-E776 PolarHBondContact O-N 3.45Å |
| 773 | L | 85.4 | Confident | 83.3 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 177.9 | -67.2 | 170.6 | 0 | 0 | 0 | 112.6 | F738 C769 L770 S775 E776 W777 | F738-L773 HydrophobicContact CZ-CB 3.97Å; C769-L773 PolarHBondContact O-N 3.17Å; C769-L773 VanDerWaalsContact O-N 3.15Å; L770-L773 PolarHBondContact O-N 3.35Å; L773-S775 VanDerWaalsContact C-N 3.3Å; L773-S775 PolarHBondContact O-N 3.11Å; L773-E776 PolarHBondContact O-N 3.09Å; L773-W777 PolarHBondContact O-N 2.98Å |
| 774 | L | 88.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 174.9 | -72.9 | 173.1 | 0 | 0 | 0 | 112.2 | L737 M741 L758 M759 A762 L770 Y771 V772 W777 R778 | L737-L774 HydrophobicContact CD2-CD2 4.1Å; M741-L774 HydrophobicContact CE-CD2 3.93Å; M741-L774 HydrophobicContact SD-CD2 3.62Å; L758-L774 HydrophobicContact CB-CD1 4.09Å; M759-L774 HydrophobicContact CG-CB 3.62Å; M759-L774 HydrophobicContact CG-CD1 4.15Å; A762-L774 HydrophobicContact CB-CD1 4.27Å; L770-L774 HydrophobicContact CD1-CD1 4.46Å; L770-L774 HydrophobicContact CD1-CG 4.32Å; L770-L774 HydrophobicContact CG-CD1 4.06Å; L770-L774 HydrophobicContact CG-CG 4.37Å; L770-L774 WeakPolarHBondContact O-CB 3.46Å; L770-L774 WeakPolarHBondContact O-CG 3.38Å; L770-L774 PolarHBondContact O-N 3.4Å; Y771-L774 PolarHBondContact O-N 2.84Å; V772-L774 VanDerWaalsContact C-N 3.34Å; V772-L774 PolarHBondContact O-N 3.03Å; L774-W777 PolarHBondContact O-N 3.3Å; L774-R778 PolarHBondContact O-N 2.99Å |
| 775 | S | 86.7 | Confident | 80.4 | Confident | 33 Ų | 33 | 72 Ų | 72 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 176.4 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | Y771 V772 L773 R778 T779 | Y771-S775 WeakPolarHBondContact O-CB 3.5Å; Y771-S775 PolarHBondContact O-N 3.3Å; V772-S775 WeakPolarHBondContact O-CB 3.44Å; V772-S775 PolarHBondContact O-N 2.87Å; V772-S775 VanDerWaalsContact O-N 3.07Å; V772-S775 PolarHBondContact O-OG 3.33Å; L773-S775 VanDerWaalsContact C-N 3.3Å; L773-S775 PolarHBondContact O-N 3.11Å; S775-R778 PolarHBondContact O-N 3.46Å; S775-T779 PolarHBondContact O-N 2.96Å; S775-T779 PolarHBondContact O-OG1 2.84Å |
| 776 | E | 85.7 | Confident | 78.8 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.6 | -70.1 | -177 | 168 | 0 | 0 | 111 | V772 L773 R778 T779 W780 | V772-E776 PolarHBondContact O-N 3.45Å; L773-E776 PolarHBondContact O-N 3.09Å; E776-R778 PolarHBondContact O-N 3.39Å; E776-T779 VanDerWaalsContact C-OG1 3.31Å; E776-T779 WeakPolarHBondContact CA-OG1 3.33Å; E776-T779 PolarHBondContact O-N 3.43Å; E776-T779 PolarHBondContact O-OG1 3.24Å; E776-W780 PolarHBondContact O-N 2.81Å |
| 777 | W | 86.7 | Confident | 76.8 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.2 | -164.9 | 94.8 | 0 | 0 | 0 | 112.2 | F738 M741 L744 V755 L773 L774 T779 W780 L781 | F738-W777 AromaticContact CD1-CD1 3.75Å; F738-W777 HydrophobicContact CD1-CG 4.34Å; F738-W777 HydrophobicContact CE1-CB 4.13Å; F738-W777 AromaticContact CE1-CD1 3.88Å; F738-W777 HydrophobicContact CE1-CG 4.13Å; M741-W777 HydrophobicContact CB-CH2 4.29Å; M741-W777 HydrophobicContact CB-CZ2 3.92Å; M741-W777 HydrophobicContact CE-CD2 3.36Å; M741-W777 HydrophobicContact CE-CE3 3.28Å; M741-W777 HydrophobicContact CE-CG 3.95Å; M741-W777 HydrophobicContact CE-CH2 3.89Å; M741-W777 HydrophobicContact CE-CZ2 3.98Å; M741-W777 HydrophobicContact CE-CZ3 3.57Å; L744-W777 HydrophobicContact CD1-CH2 4.42Å; V755-W777 HydrophobicContact CG1-CE3 4.25Å; V755-W777 HydrophobicContact CG2-CE3 3.63Å; V755-W777 HydrophobicContact CG2-CH2 4.24Å; V755-W777 HydrophobicContact CG2-CZ3 3.22Å; L773-W777 PolarHBondContact O-N 2.98Å; L774-W777 PolarHBondContact O-N 3.3Å; W777-T779 VanDerWaalsContact C-N 3.32Å; W777-T779 PolarHBondContact O-N 3.15Å; W777-W780 PolarHBondContact O-N 3.47Å; W777-L781 HydrophobicContact CE3-CB 4.15Å; W777-L781 HydrophobicContact CE3-CD1 4.4Å; W777-L781 HydrophobicContact CH2-CD1 3.48Å; W777-L781 VanDerWaalsContact CH2-CD1 3.48Å; W777-L781 HydrophobicContact CZ2-CD1 4.41Å; W777-L781 HydrophobicContact CZ3-CB 3.98Å; W777-L781 HydrophobicContact CZ3-CD1 3.44Å; W777-L781 VanDerWaalsContact CZ3-CD1 3.44Å; W777-L781 HydrophobicContact CZ3-CD2 4.37Å; W777-L781 HydrophobicContact CZ3-CG 4.1Å; W777-L781 WeakPolarHBondContact O-CB 3.27Å; W777-L781 PolarHBondContact O-N 3.32Å |
| 778 | R | 86 | Confident | 74.5 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.3 | -169.1 | -177.4 | 71.4 | 177.8 | 4.2 | 111.4 | E752 V755 L774 S775 E776 W780 L781 L782 | E752-R778 HydrophobicContact CG-CG 4.25Å; V755-R778 HydrophobicContact CG1-CB 4Å; V755-R778 HydrophobicContact CG1-CG 4.42Å; L774-R778 PolarHBondContact O-N 2.99Å; S775-R778 PolarHBondContact O-N 3.46Å; E776-R778 PolarHBondContact O-N 3.39Å; R778-W780 VanDerWaalsContact C-N 3.33Å; R778-L781 PolarHBondContact O-N 2.92Å; R778-L782 HydrophobicContact CG-CD1 4.48Å; R778-L782 WeakPolarHBondContact O-CG 3.48Å; R778-L782 PolarHBondContact O-N 3.44Å; R778-L782 VanDerWaalsContact O-N 3.11Å |
| 779 | T | 83.6 | Confident | 72.4 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175.6 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | S775 E776 W777 L782 Q783 | S775-T779 PolarHBondContact O-N 2.96Å; S775-T779 PolarHBondContact O-OG1 2.84Å; E776-T779 VanDerWaalsContact C-OG1 3.31Å; E776-T779 WeakPolarHBondContact CA-OG1 3.33Å; E776-T779 PolarHBondContact O-N 3.43Å; E776-T779 PolarHBondContact O-OG1 3.24Å; W777-T779 VanDerWaalsContact C-N 3.32Å; W777-T779 PolarHBondContact O-N 3.15Å; T779-L782 PolarHBondContact O-N 3.44Å; T779-Q783 WeakPolarHBondContact O-CG 3.26Å; T779-Q783 PolarHBondContact O-N 3.16Å; T779-Q783 VanDerWaalsContact O-N 3.13Å |
| 780 | W | 80.6 | Confident | 70 | Confident | 121 Ų | 121 | 88.4 Ų | 88.4 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 174.8 | -176.9 | 85.4 | 0 | 0 | 0 | 112.7 | E776 W777 R778 L782 Q783 S784 | E776-W780 PolarHBondContact O-N 2.81Å; W777-W780 PolarHBondContact O-N 3.47Å; R778-W780 VanDerWaalsContact C-N 3.33Å; W780-L782 VanDerWaalsContact C-N 3.27Å; W780-L782 PolarHBondContact O-N 3.46Å; W780-Q783 PolarHBondContact O-N 2.85Å; W780-S784 PolarHBondContact O-N 3.47Å; W780-S784 PolarHBondContact O-OG 2.69Å |
| 781 | L | 81 | Confident | 67.5 | Low | 7 Ų | 7 | 94.4 Ų | 94.4 | 4% | 0.037 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 174.4 | -173.5 | 101 | 0 | 0 | 0 | 111.2 | I748 R751 E752 W777 R778 S784 | I748-L781 HydrophobicContact CD1-CB 4.49Å; I748-L781 HydrophobicContact CD1-CD1 4.31Å; I748-L781 HydrophobicContact CD1-CD2 3.4Å; I748-L781 HydrophobicContact CD1-CG 3.44Å; I748-L781 VanDerWaalsContact CD1-CG 3.44Å; I748-L781 WeakPolarHBondContact CD1-O 3.35Å; I748-L781 HydrophobicContact CG1-CD2 4.38Å; R751-L781 HydrophobicContact CB-CD1 3.94Å; R751-L781 HydrophobicContact CB-CD2 4.06Å; E752-L781 HydrophobicContact CB-CD2 4.04Å; W777-L781 HydrophobicContact CE3-CB 4.15Å; W777-L781 HydrophobicContact CE3-CD1 4.4Å; W777-L781 HydrophobicContact CH2-CD1 3.48Å; W777-L781 VanDerWaalsContact CH2-CD1 3.48Å; W777-L781 HydrophobicContact CZ2-CD1 4.41Å; W777-L781 HydrophobicContact CZ3-CB 3.98Å; W777-L781 HydrophobicContact CZ3-CD1 3.44Å; W777-L781 VanDerWaalsContact CZ3-CD1 3.44Å; W777-L781 HydrophobicContact CZ3-CD2 4.37Å; W777-L781 HydrophobicContact CZ3-CG 4.1Å; W777-L781 WeakPolarHBondContact O-CB 3.27Å; W777-L781 PolarHBondContact O-N 3.32Å; R778-L781 PolarHBondContact O-N 2.92Å; L781-S784 PolarHBondContact O-OG 2.76Å |
| 782 | L | 77.2 | Confident | 65.1 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.2 | -23.1 | 178 | -68.1 | 170.3 | 0 | 0 | 0 | 113.5 | I748 R778 T779 W780 | I748-L782 HydrophobicContact CG1-CD2 4.3Å; R778-L782 HydrophobicContact CG-CD1 4.48Å; R778-L782 WeakPolarHBondContact O-CG 3.48Å; R778-L782 PolarHBondContact O-N 3.44Å; R778-L782 VanDerWaalsContact O-N 3.11Å; T779-L782 PolarHBondContact O-N 3.44Å; W780-L782 VanDerWaalsContact C-N 3.27Å; W780-L782 PolarHBondContact O-N 3.46Å |
| 783 | Q | 71.5 | Confident | 62.7 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 65% | 0.654 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -84.9 | -16.9 | 179.2 | -75.8 | 175 | -2.8 | 0 | 0 | 114.1 | T779 W780 D785 | T779-Q783 WeakPolarHBondContact O-CG 3.26Å; T779-Q783 PolarHBondContact O-N 3.16Å; T779-Q783 VanDerWaalsContact O-N 3.13Å; W780-Q783 PolarHBondContact O-N 2.85Å; Q783-D785 VanDerWaalsContact C-N 3.29Å; Q783-D785 PolarHBondContact O-N 3.1Å |
| 784 | S | 59.8 | Low | 60.2 | Low | 54 Ų | 54 | 105.6 Ų | 105.6 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.5 | -170 | 26.2 | 0 | 0 | 0 | 0 | 115.4 | W780 L781 | W780-S784 PolarHBondContact O-N 3.47Å; W780-S784 PolarHBondContact O-OG 2.69Å; L781-S784 PolarHBondContact O-OG 2.76Å |
| 785 | D | 50.4 | Low | 57.5 | Low | 132 Ų | 132 | 115.2 Ų | 115.2 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -10.7 | -179.7 | -134.6 | 6.4 | 0 | 0 | 0 | 113.7 | Q783 | Q783-D785 VanDerWaalsContact C-N 3.29Å; Q783-D785 PolarHBondContact O-N 3.1Å |
| 786 | D | 48.3 | Very low | 55 | Low | 166 Ų | 166 | 116.3 Ų | 116.3 | 89% | 0.888 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -89.6 | -3.6 | -177.8 | -87 | -22 | 0 | 0 | 0 | 114.8 | ||
| 787 | S | 40.4 | Very low | 52.7 | Low | 86 Ų | 86 | 117.8 Ų | 117.8 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | trans | -139.8 | 111.2 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | D789 | S787-D789 PolarHBondContact O-N 3.17Š| ||
| 788 | K | 33.2 | Very low | 50.4 | Low | 212 Ų | 212 | 124.1 Ų | 124.1 | 92% | 0.922 | 61% | 0.612 | S | S | * | * | trans | -67.4 | 74.8 | 169.9 | -72.4 | 179.2 | 177.7 | 174.4 | 0 | 110.1 | ||||
| 789 | D | 36.2 | Very low | 48.2 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -149.8 | 121.1 | 159.7 | -91.4 | -36.7 | 0 | 0 | 0 | 110.7 | S787 I791 | S787-D789 PolarHBondContact O-N 3.17Å; D789-I791 VanDerWaalsContact C-N 3.29Å; D789-I791 PolarHBondContact O-N 3.26Å | ||
| 790 | R | 31.1 | Very low | 45.9 | Very low | 225 Ų | 225 | 123 Ų | 123 | 85% | 0.849 | 62% | 0.617 | S | S | * | * | trans | -66.2 | 86.4 | 172.9 | -79.4 | -179.2 | 172.4 | 174.4 | 1.6 | 109.4 | I792 | R790-I792 PolarHBondContact O-N 2.89Š| ||
| 791 | I | 33.3 | Very low | 43.9 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 73% | 0.728 | 62% | 0.619 | S | S | * | * | trans | -90 | 94.4 | 164.3 | -56.1 | 178.5 | 0 | 0 | 0 | 107 | D789 L793 | D789-I791 VanDerWaalsContact C-N 3.29Å; D789-I791 PolarHBondContact O-N 3.26Å; I791-L793 PolarHBondContact O-N 3.35Å | ||
| 792 | I | 36.5 | Very low | 42.1 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 73% | 0.728 | 65% | 0.649 | S | S | * | * | trans | -42 | 131.6 | 158.5 | -65 | 164.3 | 0 | 0 | 0 | 106.9 | R790 Q794 | R790-I792 PolarHBondContact O-N 2.89Å; I792-Q794 PolarHBondContact O-N 3.14Å | ||
| 793 | L | 35.5 | Very low | 40.5 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | trans | -54.7 | 86.4 | 165.8 | -90.9 | 159.1 | 0 | 0 | 0 | 107.8 | I791 K795 | I791-L793 PolarHBondContact O-N 3.35Å; L793-K795 PolarHBondContact O-N 3.37Å; L793-K795 VanDerWaalsContact O-N 3.12Å | ||
| 794 | Q | 32.6 | Very low | 39 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | trans | -56.3 | 118.6 | 163.7 | -105.3 | -173.1 | -6.9 | 0 | 0 | 104.5 | I792 S796 | I792-Q794 PolarHBondContact O-N 3.14Å; Q794-S796 WeakPolarHBondContact O-CA 3.39Å; Q794-S796 WeakPolarHBondContact O-CB 3.34Å; Q794-S796 PolarHBondContact O-N 3.17Å | ||
| 795 | K | 31.9 | Very low | 37.9 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | trans | -21.9 | 80.8 | 166.8 | -70.7 | 175.7 | 172.9 | 178.7 | 0 | 111.8 | L793 N797 | L793-K795 PolarHBondContact O-N 3.37Å; L793-K795 VanDerWaalsContact O-N 3.12Å; K795-N797 PolarHBondContact O-N 3.22Å | ||
| 796 | S | 33.4 | Very low | 37.4 | Very low | 55 Ų | 55 | 128.4 Ų | 128.4 | 39% | 0.385 | 65% | 0.65 | S | S | . | * | trans | -94.3 | 103.6 | -179.1 | 65.5 | 0 | 0 | 0 | 0 | 105.3 | Q794 Q798 V799 | Q794-S796 WeakPolarHBondContact O-CA 3.39Å; Q794-S796 WeakPolarHBondContact O-CB 3.34Å; Q794-S796 PolarHBondContact O-N 3.17Å; S796-Q798 PolarHBondContact O-N 2.91Å; S796-V799 PolarHBondContact O-N 3.38Å; S796-V799 VanDerWaalsContact O-N 3.1Å | ||
| 797 | N | 36.8 | Very low | 36.8 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -51.5 | -7.4 | 173 | -72.7 | -27.3 | 0 | 0 | 0 | 113.3 | K795 A801 | K795-N797 PolarHBondContact O-N 3.22Å; N797-A801 WeakPolarHBondContact O-CB 3.47Å; N797-A801 PolarHBondContact O-N 3.06Å |
| 798 | Q | 38.7 | Very low | 36.6 | Very low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.752 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.3 | -32 | 175.5 | -70 | -176.4 | 1 | 0 | 0 | 114.3 | S796 K802 | S796-Q798 PolarHBondContact O-N 2.91Å; Q798-K802 PolarHBondContact O-N 3.28Å |
| 799 | V | 39.4 | Very low | 36.4 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 47% | 0.473 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -79.5 | -40.1 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | S796 A801 K802 I803 | S796-V799 PolarHBondContact O-N 3.38Å; S796-V799 VanDerWaalsContact O-N 3.1Å; V799-A801 VanDerWaalsContact C-N 3.34Å; V799-A801 PolarHBondContact O-N 2.87Å; V799-K802 PolarHBondContact O-N 3.37Å; V799-I803 HydrophobicContact CG1-CD1 3.54Å; V799-I803 HydrophobicContact CG1-CG1 4.43Å; V799-I803 WeakPolarHBondContact O-CB 3.47Å; V799-I803 WeakPolarHBondContact O-CD1 3.35Å; V799-I803 WeakPolarHBondContact O-CG1 3.35Å; V799-I803 PolarHBondContact O-N 3.04Å; V799-I803 VanDerWaalsContact O-N 3.1Å |
| 800 | A | 37.2 | Very low | 36.1 | Very low | 40 Ų | 40 | 121.8 Ų | 121.8 | 33% | 0.331 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.1 | -35.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I803 N804 | A800-I803 PolarHBondContact O-N 3.22Å; A800-N804 PolarHBondContact O-N 3.05Å; A800-N804 VanDerWaalsContact O-N 3.08Å; A800-N804 PolarHBondContact O-ND2 3.35Å |
| 801 | A | 38.3 | Very low | 36.1 | Very low | 62 Ų | 62 | 122.3 Ų | 122.3 | 51% | 0.512 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.3 | -31.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N797 V799 | N797-A801 WeakPolarHBondContact O-CB 3.47Å; N797-A801 PolarHBondContact O-N 3.06Å; V799-A801 VanDerWaalsContact C-N 3.34Å; V799-A801 PolarHBondContact O-N 2.87Å |
| 802 | K | 42.5 | Very low | 36 | Very low | 152 Ų | 152 | 125 Ų | 125 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.1 | -27.5 | 172.5 | -83.6 | -176.8 | 174.2 | -178.1 | 0 | 112.8 | Q798 V799 | Q798-K802 PolarHBondContact O-N 3.28Å; V799-K802 PolarHBondContact O-N 3.37Å |
| 803 | I | 43.4 | Very low | 36 | Very low | 40 Ų | 40 | 124.1 Ų | 124.1 | 21% | 0.205 | 66% | 0.657 | C | S | . | * | H | α-helix | trans | -82.8 | -32.4 | -176.9 | -70.8 | 170.3 | 0 | 0 | 0 | 112.4 | A734 V799 A800 H805 | A734-I803 HydrophobicContact CB-CD1 4.19Å; A734-I803 HydrophobicContact CB-CG2 3.79Å; V799-I803 HydrophobicContact CG1-CD1 3.54Å; V799-I803 HydrophobicContact CG1-CG1 4.43Å; V799-I803 WeakPolarHBondContact O-CB 3.47Å; V799-I803 WeakPolarHBondContact O-CD1 3.35Å; V799-I803 WeakPolarHBondContact O-CG1 3.35Å; V799-I803 PolarHBondContact O-N 3.04Å; V799-I803 VanDerWaalsContact O-N 3.1Å; A800-I803 PolarHBondContact O-N 3.22Å; I803-H805 VanDerWaalsContact C-N 3.31Å; I803-H805 PolarHBondContact O-N 2.99Å |
| 804 | N | 39.9 | Very low | 36 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -9.8 | -179.6 | -74.5 | -23.7 | 0 | 0 | 0 | 114.7 | A800 | A800-N804 PolarHBondContact O-N 3.05Å; A800-N804 VanDerWaalsContact O-N 3.08Å; A800-N804 PolarHBondContact O-ND2 3.35Å |
| 805 | H | 37.7 | Very low | 36.2 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 0.5 | -175.1 | -117.1 | -70.1 | 0 | 0 | 0 | 115.2 | I803 | I803-H805 VanDerWaalsContact C-N 3.31Å; I803-H805 PolarHBondContact O-N 2.99Å |
| 806 | I | 39.1 | Very low | 36.4 | Very low | 89 Ų | 89 | 118.7 Ų | 118.7 | 46% | 0.456 | 65% | 0.646 | S | S | . | * | trans | -105.8 | 90.4 | 178.8 | -56.5 | 173.4 | 0 | 0 | 0 | 108.1 | L808 | I806-L808 PolarHBondContact O-N 2.89Š| ||
| 807 | Q | 35.3 | Very low | 36.6 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | trans | -56.3 | 101 | 163.7 | -78 | -169.7 | -19.1 | 0 | 0 | 108.6 | N809 | Q807-N809 PolarHBondContact O-N 3.1Š| ||
| 808 | L | 36.9 | Very low | 36.6 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | trans | -72 | 50.1 | 167.4 | -76.1 | 161.1 | 0 | 0 | 0 | 110.1 | C769 I806 | C769-L808 HydrophobicContact CB-CD2 4.09Å; I806-L808 PolarHBondContact O-N 2.89Å | ||
| 809 | N | 29 | Very low | 36.5 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | trans | -106.9 | 94.4 | 175.1 | -75.8 | -13.3 | 0 | 0 | 0 | 108.1 | Q807 | Q807-N809 PolarHBondContact O-N 3.1Š| ||
| 810 | G | 29.4 | Very low | 36.2 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | trans | -151.9 | 48.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 811 | W | 30.6 | Very low | 36.2 | Very low | 237 Ų | 237 | 129.2 Ų | 129.2 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -118.6 | 86 | 166 | -78 | 46.5 | 0 | 0 | 0 | 107.1 | ||||
| 812 | S | 32.1 | Very low | 36 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 100% | 1.378 | 71% | 0.71 | S | S | * | * | trans | -133.5 | 0 | 155.6 | -54.4 | 0 | 0 | 0 | 0 | 106.3 |
Retrieved 812 of 812 residues in 582.1 ms
(Link to these results)