| 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 | 69.8 | Low | 90.6 | Very high | 191 Ų | 191 | 62.8 Ų | 62.8 | 94% | 0.941 | 32% | 0.323 | S | S | * | . | 0 | -44.5 | 0 | -70.6 | -145.3 | -79.7 | 0 | 0 | 112.4 | S3 I4 R5 | M1-S3 PolarHBondContact O-N 2.65Å; M1-I4 PolarHBondContact O-N 2.98Å; M1-R5 PolarHBondContact O-N 3.41Å | |||
| 2 | A | 83.4 | Confident | 91 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -47.3 | -57.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | I4 R5 V6 L32 P58 Y60 | A2-I4 VanDerWaalsContact C-N 3.28Å; A2-I4 PolarHBondContact O-N 2.97Å; A2-R5 PolarHBondContact O-N 3.32Å; A2-V6 WeakPolarHBondContact O-CB 3.45Å; A2-V6 VanDerWaalsContact O-CG2 3.26Å; A2-V6 WeakPolarHBondContact O-CG2 3.02Å; A2-V6 PolarHBondContact O-N 3.49Å; A2-L32 HydrophobicContact CB-CD2 4.26Å; A2-P58 WeakPolarHBondContact CB-O 3.36Å; A2-Y60 VanDerWaalsContact CA-O 3.29Å; A2-Y60 WeakPolarHBondContact CA-O 3.38Å; A2-Y60 WeakPolarHBondContact CB-O 3.41Å |
| 3 | S | 87.7 | Confident | 91.3 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.3 | -33.2 | -177.9 | -48 | 0 | 0 | 0 | 0 | 114.4 | M1 A7 | M1-S3 PolarHBondContact O-N 2.65Å; S3-A7 WeakPolarHBondContact O-CB 3.45Å; S3-A7 PolarHBondContact O-N 3.45Å |
| 4 | I | 91.4 | Very high | 91.5 | Very high | 130 Ų | 130 | 62.6 Ų | 62.6 | 67% | 0.667 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68 | -48.6 | 178.9 | -62.5 | 172.8 | 0 | 0 | 0 | 109.8 | M1 A2 K8 | M1-I4 PolarHBondContact O-N 2.98Å; A2-I4 VanDerWaalsContact C-N 3.28Å; A2-I4 PolarHBondContact O-N 2.97Å; I4-K8 WeakPolarHBondContact O-CB 3.46Å; I4-K8 PolarHBondContact O-N 3.32Å |
| 5 | R | 93.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 25% | 0.253 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 178.1 | 176.7 | 173.9 | 169.8 | 170.7 | -11.5 | 111.2 | M1 A2 K8 E9 Y60 P61 P96 T98 | M1-R5 PolarHBondContact O-N 3.41Å; A2-R5 PolarHBondContact O-N 3.32Å; R5-K8 PolarHBondContact O-N 2.84Å; R5-E9 HydrophobicContact CG-CG 4.42Å; R5-E9 WeakPolarHBondContact CG-OE1 3.34Å; R5-E9 IonicContact CZ-OE1 3.45Å; R5-E9 IonicContact NE-OE1 3.86Å; R5-E9 PolarHBondContact NE-OE1 2.66Å; R5-E9 IonicContact NH2-OE1 2.75Å; R5-E9 PolarHBondContact NH2-OE1 2.84Å; R5-E9 WeakPolarHBondContact O-CG 3.45Å; R5-E9 PolarHBondContact O-N 2.81Å; R5-Y60 HydrophobicContact CG-CE1 4.14Å; R5-Y60 PolarHBondContact NH2-OH 2.82Å; R5-P61 VanDerWaalsContact NH1-CG 3.27Å; R5-P96 VanDerWaalsContact CZ-O 3.25Å; R5-P96 PolarHBondContact NH1-O 2.82Å; R5-P96 PolarHBondContact NH2-O 2.87Å; R5-T98 PolarHBondContact NH2-O 3.34Å |
| 6 | V | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.2 | -53.8 | 177.7 | 171.7 | 0 | 0 | 0 | 0 | 109.7 | A2 K8 E9 L10 V31 L32 W34 F56 Y60 | A2-V6 WeakPolarHBondContact O-CB 3.45Å; A2-V6 VanDerWaalsContact O-CG2 3.26Å; A2-V6 WeakPolarHBondContact O-CG2 3.02Å; A2-V6 PolarHBondContact O-N 3.49Å; V6-K8 VanDerWaalsContact C-N 3.25Å; V6-K8 PolarHBondContact O-N 2.88Å; V6-E9 PolarHBondContact O-N 2.89Å; V6-E9 VanDerWaalsContact O-N 3.12Å; V6-L10 PolarHBondContact O-N 2.97Å; V6-V31 HydrophobicContact CG1-CG2 4.49Å; V6-V31 WeakPolarHBondContact CG1-O 3.5Å; V6-L32 HydrophobicContact CB-CD2 4.31Å; V6-L32 HydrophobicContact CG1-CD2 4.37Å; V6-L32 HydrophobicContact CG2-CD2 4.02Å; V6-W34 HydrophobicContact CB-CZ2 4.28Å; V6-W34 HydrophobicContact CG1-CZ2 3.4Å; V6-W34 VanDerWaalsContact CG1-CZ2 3.4Å; V6-W34 WeakPolarHBondContact O-CZ2 3.42Å; V6-F56 HydrophobicContact CG1-CD2 3.99Å; V6-F56 HydrophobicContact CG1-CE2 4.08Å; V6-F56 HydrophobicContact CG1-CG 4.29Å; V6-F56 HydrophobicContact CG1-CZ 4.42Å; V6-F56 HydrophobicContact CG2-CB 4.2Å; V6-F56 HydrophobicContact CG2-CD1 3.74Å; V6-F56 HydrophobicContact CG2-CD2 4.38Å; V6-F56 HydrophobicContact CG2-CE1 4.17Å; V6-F56 HydrophobicContact CG2-CG 3.85Å; V6-Y60 HydrophobicContact CG2-CD1 3.66Å; V6-Y60 HydrophobicContact CG2-CE1 3.92Å; V6-Y60 HydrophobicContact CG2-CG 4.45Å |
| 7 | A | 94.2 | Very high | 91.8 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.6 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S3 L10 E11 V31 | S3-A7 WeakPolarHBondContact O-CB 3.45Å; S3-A7 PolarHBondContact O-N 3.45Å; A7-L10 PolarHBondContact O-N 3.41Å; A7-E11 WeakPolarHBondContact O-CB 3.47Å; A7-E11 PolarHBondContact O-N 3.26Å; A7-V31 HydrophobicContact CB-CG2 4.03Å |
| 8 | K | 94.9 | Very high | 91.9 | Very high | 92 Ų | 92 | 71 Ų | 71 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 177.3 | -175.7 | 70.1 | -155.4 | 126.6 | 0 | 112.4 | I4 R5 V6 L10 E11 D12 | I4-K8 WeakPolarHBondContact O-CB 3.46Å; I4-K8 PolarHBondContact O-N 3.32Å; R5-K8 PolarHBondContact O-N 2.84Å; V6-K8 VanDerWaalsContact C-N 3.25Å; V6-K8 PolarHBondContact O-N 2.88Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 2.75Å; K8-E11 IonicContact NZ-OE2 2.73Å; K8-E11 PolarHBondContact NZ-OE2 3Å; K8-E11 PolarHBondContact O-N 2.85Å; K8-D12 WeakPolarHBondContact CE-OD1 3.21Å; K8-D12 IonicContact NZ-OD1 3.52Å; K8-D12 PolarHBondContact NZ-OD1 3.39Å; K8-D12 IonicContact NZ-OD2 3.88Å; K8-D12 VanDerWaalsContact O-CG 3.28Å; K8-D12 PolarHBondContact O-N 3.43Å |
| 9 | E | 95.6 | Very high | 92 | Very high | 18 Ų | 18 | 73.1 Ų | 73.1 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 176.7 | -73 | -172.6 | -145.4 | 0 | 0 | 112.1 | R5 V6 D12 L13 W34 Y60 T100 | R5-E9 HydrophobicContact CG-CG 4.42Å; R5-E9 WeakPolarHBondContact CG-OE1 3.34Å; R5-E9 IonicContact CZ-OE1 3.45Å; R5-E9 IonicContact NE-OE1 3.86Å; R5-E9 PolarHBondContact NE-OE1 2.66Å; R5-E9 IonicContact NH2-OE1 2.75Å; R5-E9 PolarHBondContact NH2-OE1 2.84Å; R5-E9 WeakPolarHBondContact O-CG 3.45Å; R5-E9 PolarHBondContact O-N 2.81Å; V6-E9 PolarHBondContact O-N 2.89Å; V6-E9 VanDerWaalsContact O-N 3.12Å; E9-D12 PolarHBondContact O-N 2.93Å; E9-L13 WeakPolarHBondContact O-CB 3.21Å; E9-L13 WeakPolarHBondContact O-CG 3.18Å; E9-L13 PolarHBondContact O-N 3.35Å; E9-W34 HydrophobicContact CB-CH2 3.9Å; E9-Y60 PolarHBondContact OE1-OH 3.17Å; E9-T100 VanDerWaalsContact OE2-CB 3.26Å; E9-T100 WeakPolarHBondContact OE2-CB 3.37Å; E9-T100 PolarHBondContact OE2-N 3.49Å; E9-T100 PolarHBondContact OE2-OG1 3.4Å |
| 10 | L | 95.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 174.3 | -178.9 | 60.1 | 0 | 0 | 0 | 110.9 | V6 A7 K8 D12 L13 Q14 L24 W34 | V6-L10 PolarHBondContact O-N 2.97Å; A7-L10 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 2.75Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-D12 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 3.49Å; L10-Q14 HydrophobicContact CD1-CG 4.23Å; L10-Q14 HydrophobicContact CG-CG 4.45Å; L10-Q14 WeakPolarHBondContact O-CB 3.45Å; L10-Q14 WeakPolarHBondContact O-CG 3.42Å; L10-Q14 PolarHBondContact O-N 3.01Å; L10-L24 HydrophobicContact CD1-CD1 3.97Å; L10-L24 HydrophobicContact CD1-CD2 3.9Å; L10-L24 HydrophobicContact CD1-CG 3.63Å; L10-W34 HydrophobicContact CB-CH2 3.93Å; L10-W34 HydrophobicContact CB-CZ2 3.55Å; L10-W34 HydrophobicContact CD1-CD2 3.95Å; L10-W34 HydrophobicContact CD1-CE3 4.13Å; L10-W34 HydrophobicContact CD1-CG 4.41Å; L10-W34 HydrophobicContact CD1-CZ2 4.41Å; L10-W34 HydrophobicContact CD1-CZ3 4.4Å; L10-W34 HydrophobicContact CG-CZ2 4.46Å |
| 11 | E | 95.5 | Very high | 92.3 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 179 | -170 | -159 | 174.8 | 0 | 0 | 111.2 | A7 K8 L13 Q14 K15 | A7-E11 WeakPolarHBondContact O-CB 3.47Å; A7-E11 PolarHBondContact O-N 3.26Å; K8-E11 IonicContact NZ-OE2 2.73Å; K8-E11 PolarHBondContact NZ-OE2 3Å; K8-E11 PolarHBondContact O-N 2.85Å; E11-L13 PolarHBondContact O-N 3.46Å; E11-Q14 PolarHBondContact O-N 3.43Å; E11-K15 WeakPolarHBondContact O-CG 3.49Å; E11-K15 PolarHBondContact O-N 2.87Å; E11-K15 VanDerWaalsContact OE1-CE 3.23Å; E11-K15 WeakPolarHBondContact OE1-CE 3.32Å; E11-K15 IonicContact OE1-NZ 3.82Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å; E11-K15 IonicContact OE2-NZ 2.66Å |
| 12 | D | 94.9 | Very high | 93.5 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 179.4 | -69.6 | -17.9 | 0 | 0 | 0 | 111.5 | K8 E9 L10 K16 | K8-D12 WeakPolarHBondContact CE-OD1 3.21Å; K8-D12 IonicContact NZ-OD1 3.52Å; K8-D12 PolarHBondContact NZ-OD1 3.39Å; K8-D12 IonicContact NZ-OD2 3.88Å; K8-D12 VanDerWaalsContact O-CG 3.28Å; K8-D12 PolarHBondContact O-N 3.43Å; E9-D12 PolarHBondContact O-N 2.93Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-D12 PolarHBondContact O-N 2.91Å; D12-K16 PolarHBondContact O-N 3.19Å |
| 13 | L | 95.1 | Very high | 94 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 174.5 | -81.8 | 167.1 | 0 | 0 | 0 | 112.8 | E9 L10 E11 K16 P17 P18 L24 W34 C101 L104 | E9-L13 WeakPolarHBondContact O-CB 3.21Å; E9-L13 WeakPolarHBondContact O-CG 3.18Å; E9-L13 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.49Å; E11-L13 PolarHBondContact O-N 3.46Å; L13-K16 CarbonylContact O-C 3.16Å; L13-K16 PolarHBondContact O-N 3.09Å; L13-P17 WeakPolarHBondContact O-CA 3.22Å; L13-P18 HydrophobicContact CD2-CG 4.5Å; L13-L24 HydrophobicContact CB-CD2 3.42Å; L13-L24 VanDerWaalsContact CB-CD2 3.42Å; L13-L24 HydrophobicContact CD1-CD2 4.11Å; L13-L24 HydrophobicContact CG-CD2 4.33Å; L13-W34 HydrophobicContact CD1-CH2 4.33Å; L13-W34 HydrophobicContact CD1-CZ3 3.73Å; L13-C101 HydrophobicContact CD2-CB 3.76Å; L13-C101 HydrophobicContact CG-CB 4.37Å; L13-L104 HydrophobicContact CD1-CD1 4Å |
| 14 | Q | 94.6 | Very high | 94.4 | Very high | 98 Ų | 98 | 68 Ų | 68 | 46% | 0.458 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 176.9 | -75.9 | 178.7 | -29.7 | 0 | 0 | 112.6 | L10 E11 K16 L24 | L10-Q14 HydrophobicContact CD1-CG 4.23Å; L10-Q14 HydrophobicContact CG-CG 4.45Å; L10-Q14 WeakPolarHBondContact O-CB 3.45Å; L10-Q14 WeakPolarHBondContact O-CG 3.42Å; L10-Q14 PolarHBondContact O-N 3.01Å; E11-Q14 PolarHBondContact O-N 3.43Å; Q14-K16 VanDerWaalsContact C-N 3.35Å; Q14-L24 HydrophobicContact CG-CD2 4.37Å; Q14-L24 HydrophobicContact CG-CG 4.49Å; Q14-L24 PolarHBondContact NE2-O 3.05Å |
| 15 | K | 94.5 | Very high | 94.6 | Very high | 138 Ų | 138 | 64.4 Ų | 64.4 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 174.6 | -76.8 | 172.7 | -177.4 | 169.4 | 0 | 112.6 | E11 | E11-K15 WeakPolarHBondContact O-CG 3.49Å; E11-K15 PolarHBondContact O-N 2.87Å; E11-K15 VanDerWaalsContact OE1-CE 3.23Å; E11-K15 WeakPolarHBondContact OE1-CE 3.32Å; E11-K15 IonicContact OE1-NZ 3.82Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å; E11-K15 IonicContact OE2-NZ 2.66Å |
| 16 | K | 92.6 | Very high | 94.6 | Very high | 178 Ų | 178 | 63 Ų | 63 | 77% | 0.774 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -139 | 74.1 | -179.8 | -166.4 | 177.7 | -180 | 179.7 | 0 | 110.6 | D12 L13 Q14 | D12-K16 PolarHBondContact O-N 3.19Å; L13-K16 CarbonylContact O-C 3.16Å; L13-K16 PolarHBondContact O-N 3.09Å; Q14-K16 VanDerWaalsContact C-N 3.35Å |
| 17 | P | 92.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 65 Ų | 65 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | trans | -69.4 | 135.8 | -178.4 | 27.3 | -32.9 | 0 | 0 | 0 | 110 | L13 | L13-P17 WeakPolarHBondContact O-CA 3.22Š| ||
| 18 | P | 93.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 71.4 Ų | 71.4 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | trans | -59.1 | 151.4 | 169.9 | -21.8 | 32.4 | 0 | 0 | 0 | 111.5 | L13 Y20 L21 | L13-P18 HydrophobicContact CD2-CG 4.5Å; P18-Y20 HydrophobicContact CB-CD1 3.9Å; P18-Y20 HydrophobicContact CB-CD2 4.11Å; P18-Y20 HydrophobicContact CB-CE1 3.48Å; P18-Y20 VanDerWaalsContact CB-CE1 3.48Å; P18-Y20 HydrophobicContact CB-CE2 3.7Å; P18-Y20 HydrophobicContact CB-CG 4.2Å; P18-Y20 HydrophobicContact CG-CE1 4.38Å; P18-Y20 HydrophobicContact CG-CE2 4.09Å; P18-Y20 PolarHBondContact O-N 3.48Å; P18-L21 HydrophobicContact CB-CB 4.49Å; P18-L21 PolarHBondContact O-N 2.96Å; P18-L21 VanDerWaalsContact O-O 3.06Å | ||
| 19 | P | 93.4 | Very high | 93.6 | Very high | 110 Ų | 110 | 71.8 Ų | 71.8 | 71% | 0.714 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.3 | -177.4 | 26 | -34.8 | 0 | 0 | 0 | 113.4 | L21 | P19-L21 PolarHBondContact O-N 2.93Š|
| 20 | Y | 94.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.3 | 176.5 | 57.1 | -104 | 0 | 0 | 0 | 113.5 | P18 L38 L39 E105 N108 | P18-Y20 HydrophobicContact CB-CD1 3.9Å; P18-Y20 HydrophobicContact CB-CD2 4.11Å; P18-Y20 HydrophobicContact CB-CE1 3.48Å; P18-Y20 VanDerWaalsContact CB-CE1 3.48Å; P18-Y20 HydrophobicContact CB-CE2 3.7Å; P18-Y20 HydrophobicContact CB-CG 4.2Å; P18-Y20 HydrophobicContact CG-CE1 4.38Å; P18-Y20 HydrophobicContact CG-CE2 4.09Å; P18-Y20 PolarHBondContact O-N 3.48Å; Y20-L38 HydrophobicContact CD2-CD1 4.07Å; Y20-L38 CarbonylContact O-C 3.49Å; Y20-L38 WeakPolarHBondContact O-CA 3.44Å; Y20-L39 PolarHBondContact O-N 3.49Å; Y20-E105 WeakPolarHBondContact OH-CA 3.35Å; Y20-N108 VanDerWaalsContact CB-OD1 3.29Å; Y20-N108 WeakPolarHBondContact CB-OD1 3.42Å; Y20-N108 HydrophobicContact CD1-CB 4.34Å; Y20-N108 HydrophobicContact CD2-CB 3.8Å; Y20-N108 HydrophobicContact CE1-CB 4.46Å; Y20-N108 HydrophobicContact CE2-CB 3.95Å; Y20-N108 HydrophobicContact CG-CB 4.02Å |
| 21 | L | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.7 | -176.4 | -160.6 | 75.7 | 0 | 0 | 0 | 111 | P18 P19 L24 A36 L37 L52 L104 | P18-L21 HydrophobicContact CB-CB 4.49Å; P18-L21 PolarHBondContact O-N 2.96Å; P18-L21 VanDerWaalsContact O-O 3.06Å; P19-L21 PolarHBondContact O-N 2.93Å; L21-L24 HydrophobicContact CD2-CB 4.35Å; L21-L24 HydrophobicContact CD2-CD1 4.45Å; L21-L24 HydrophobicContact CD2-CD2 4.09Å; L21-A36 HydrophobicContact CD1-CB 3.69Å; L21-A36 HydrophobicContact CG-CB 4.13Å; L21-L37 WeakPolarHBondContact CA-O 3.24Å; L21-L52 HydrophobicContact CD1-CD2 4.23Å; L21-L104 HydrophobicContact CD1-CD2 4.2Å; L21-L104 HydrophobicContact CD2-CD1 3.86Å |
| 22 | R | 95.2 | Very high | 93.1 | Very high | 119 Ų | 119 | 73 Ų | 73 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 167.2 | 175.6 | -65.5 | -64.1 | -171 | 169.2 | 5.3 | 110.7 | L24 L37 L39 P151 | R22-L24 PolarHBondContact O-N 3.38Å; R22-L24 VanDerWaalsContact O-N 3.09Å; R22-L37 HydrophobicContact CB-CB 4.36Å; R22-L37 PolarHBondContact N-O 2.71Å; R22-L37 PolarHBondContact O-N 2.7Å; R22-L39 HydrophobicContact CB-CD1 3.77Å; R22-L39 HydrophobicContact CG-CD1 3.57Å; R22-L39 HydrophobicContact CG-CD2 3.93Å; R22-L39 HydrophobicContact CG-CG 4.44Å; R22-P151 HydrophobicContact CB-CG 4.31Å; R22-P151 HydrophobicContact CG-CG 4.15Å |
| 23 | N | 94.2 | Very high | 93.2 | Very high | 117 Ų | 117 | 70.9 Ų | 70.9 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 37.5 | 173.4 | -57.5 | 8.1 | 0 | 0 | 0 | 113.6 | S25 L37 | N23-S25 PolarHBondContact O-N 3.35Å; N23-L37 HydrophobicContact CB-CB 4.36Å |
| 24 | L | 95.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 116.4 | 179.1 | 176.2 | 66.3 | 0 | 0 | 0 | 110.2 | L10 L13 Q14 L21 R22 W34 H35 A36 | L10-L24 HydrophobicContact CD1-CD1 3.97Å; L10-L24 HydrophobicContact CD1-CD2 3.9Å; L10-L24 HydrophobicContact CD1-CG 3.63Å; L13-L24 HydrophobicContact CB-CD2 3.42Å; L13-L24 VanDerWaalsContact CB-CD2 3.42Å; L13-L24 HydrophobicContact CD1-CD2 4.11Å; L13-L24 HydrophobicContact CG-CD2 4.33Å; Q14-L24 HydrophobicContact CG-CD2 4.37Å; Q14-L24 HydrophobicContact CG-CG 4.49Å; Q14-L24 PolarHBondContact NE2-O 3.05Å; L21-L24 HydrophobicContact CD2-CB 4.35Å; L21-L24 HydrophobicContact CD2-CD1 4.45Å; L21-L24 HydrophobicContact CD2-CD2 4.09Å; R22-L24 PolarHBondContact O-N 3.38Å; R22-L24 VanDerWaalsContact O-N 3.09Å; L24-W34 HydrophobicContact CD1-CB 4.46Å; L24-W34 HydrophobicContact CD1-CE3 3.93Å; L24-H35 WeakPolarHBondContact CA-O 3.22Å; L24-A36 HydrophobicContact CB-CB 4.36Å; L24-A36 HydrophobicContact CD1-CB 3.87Å |
| 25 | S | 95.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.2 | 176.1 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | N23 W34 H35 | N23-S25 PolarHBondContact O-N 3.35Å; S25-W34 CarbonylContact O-C 3.55Å; S25-W34 VanDerWaalsContact O-CA 3.27Å; S25-W34 WeakPolarHBondContact O-CA 3.04Å; S25-H35 PolarHBondContact N-O 3.06Å; S25-H35 PolarHBondContact O-N 3.22Å |
| 26 | S | 94.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 161.8 | 164.8 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | V33 | S26-V33 CarbonylContact C-O 3.59Å; S26-V33 VanDerWaalsContact CA-O 3.29Å; S26-V33 WeakPolarHBondContact CA-O 3.41Å |
| 27 | S | 90.6 | Very high | 93.8 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 140.2 | 165.1 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | A29 N30 V33 | S27-A29 PolarHBondContact O-N 3.35Å; S27-N30 CarbonylContact O-C 3.56Å; S27-N30 PolarHBondContact O-N 3.26Å; S27-N30 VanDerWaalsContact O-N 3.1Å; S27-V33 PolarHBondContact N-O 2.81Å |
| 28 | D | 84.3 | Confident | 94.1 | Very high | 177 Ų | 177 | 51.5 Ų | 51.5 | 95% | 0.947 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34 | -179.8 | -62.6 | -29.5 | 0 | 0 | 0 | 112.7 | ||
| 29 | A | 87.8 | Confident | 94.2 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 83% | 0.826 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -18.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S27 | S27-A29 PolarHBondContact O-N 3.35Š|
| 30 | N | 89.6 | Confident | 94.3 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 109.7 | -171.7 | -168.2 | -2.6 | 0 | 0 | 0 | 113.3 | S27 L32 V33 | S27-N30 CarbonylContact O-C 3.56Å; S27-N30 PolarHBondContact O-N 3.26Å; S27-N30 VanDerWaalsContact O-N 3.1Å; N30-L32 PolarHBondContact O-N 2.89Å; N30-L32 VanDerWaalsContact O-N 3.14Å; N30-L32 VanDerWaalsContact OD1-CB 3.24Å; N30-L32 WeakPolarHBondContact OD1-CB 3.46Å; N30-L32 PolarHBondContact OD1-N 3.24Å; N30-V33 HydrophobicContact CB-CG2 4.36Å; N30-V33 PolarHBondContact O-N 3.46Å |
| 31 | V | 91.9 | Very high | 94.2 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | -19.3 | 174.9 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | V6 A7 V33 W34 | V6-V31 HydrophobicContact CG1-CG2 4.49Å; V6-V31 WeakPolarHBondContact CG1-O 3.5Å; A7-V31 HydrophobicContact CB-CG2 4.03Å; V31-V33 PolarHBondContact O-N 3.05Å; V31-W34 VanDerWaalsContact O-CD1 3.32Å; V31-W34 PolarHBondContact O-NE1 2.81Å |
| 32 | L | 95.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 5.8 | 175.9 | -56.7 | 179.4 | 0 | 0 | 0 | 113.1 | A2 V6 N30 F56 | A2-L32 HydrophobicContact CB-CD2 4.26Å; V6-L32 HydrophobicContact CB-CD2 4.31Å; V6-L32 HydrophobicContact CG1-CD2 4.37Å; V6-L32 HydrophobicContact CG2-CD2 4.02Å; N30-L32 PolarHBondContact O-N 2.89Å; N30-L32 VanDerWaalsContact O-N 3.14Å; N30-L32 VanDerWaalsContact OD1-CB 3.24Å; N30-L32 WeakPolarHBondContact OD1-CB 3.46Å; N30-L32 PolarHBondContact OD1-N 3.24Å; L32-F56 HydrophobicContact CB-CB 4.11Å; L32-F56 HydrophobicContact CD2-CB 4.12Å; L32-F56 WeakPolarHBondContact O-CD2 3.08Å; L32-F56 PolarHBondContact O-N 3.47Å |
| 33 | V | 97 | Very high | 94 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 119.5 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 108 | S26 S27 N30 V31 I54 | S26-V33 CarbonylContact C-O 3.59Å; S26-V33 VanDerWaalsContact CA-O 3.29Å; S26-V33 WeakPolarHBondContact CA-O 3.41Å; S27-V33 PolarHBondContact N-O 2.81Å; N30-V33 HydrophobicContact CB-CG2 4.36Å; N30-V33 PolarHBondContact O-N 3.46Å; V31-V33 PolarHBondContact O-N 3.05Å; V33-I54 CarbonylContact C-O 3.53Å; V33-I54 WeakPolarHBondContact CA-O 3.26Å |
| 34 | W | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.2 | 175.4 | -59.4 | -1.9 | 0 | 0 | 0 | 111 | V6 E9 L10 L13 L24 S25 V31 C53 I54 F56 T100 | V6-W34 HydrophobicContact CB-CZ2 4.28Å; V6-W34 HydrophobicContact CG1-CZ2 3.4Å; V6-W34 VanDerWaalsContact CG1-CZ2 3.4Å; V6-W34 WeakPolarHBondContact O-CZ2 3.42Å; E9-W34 HydrophobicContact CB-CH2 3.9Å; L10-W34 HydrophobicContact CB-CH2 3.93Å; L10-W34 HydrophobicContact CB-CZ2 3.55Å; L10-W34 HydrophobicContact CD1-CD2 3.95Å; L10-W34 HydrophobicContact CD1-CE3 4.13Å; L10-W34 HydrophobicContact CD1-CG 4.41Å; L10-W34 HydrophobicContact CD1-CZ2 4.41Å; L10-W34 HydrophobicContact CD1-CZ3 4.4Å; L10-W34 HydrophobicContact CG-CZ2 4.46Å; L13-W34 HydrophobicContact CD1-CH2 4.33Å; L13-W34 HydrophobicContact CD1-CZ3 3.73Å; L24-W34 HydrophobicContact CD1-CB 4.46Å; L24-W34 HydrophobicContact CD1-CE3 3.93Å; S25-W34 CarbonylContact O-C 3.55Å; S25-W34 VanDerWaalsContact O-CA 3.27Å; S25-W34 WeakPolarHBondContact O-CA 3.04Å; V31-W34 VanDerWaalsContact O-CD1 3.32Å; V31-W34 PolarHBondContact O-NE1 2.81Å; W34-C53 CarbonylContact O-C 3.08Å; W34-C53 VanDerWaalsContact O-CA 3.32Å; W34-C53 WeakPolarHBondContact O-CA 3.41Å; W34-I54 HydrophobicContact CB-CB 4.2Å; W34-I54 HydrophobicContact CB-CD1 4.41Å; W34-I54 HydrophobicContact CB-CG1 4.46Å; W34-I54 HydrophobicContact CE3-CD1 4.11Å; W34-I54 PolarHBondContact N-O 3.45Å; W34-I54 PolarHBondContact O-N 3.26Å; W34-F56 AromaticContact CD1-CE2 3.91Å; W34-F56 AromaticContact CD2-CE2 3.53Å; W34-F56 HydrophobicContact CD2-CE2 3.53Å; W34-F56 AromaticContact CD2-CZ 3.89Å; W34-F56 HydrophobicContact CD2-CZ 3.89Å; W34-F56 AromaticContact CE2-CE2 3.48Å; W34-F56 VanDerWaalsContact CE2-CE2 3.48Å; W34-F56 AromaticContact CE2-CZ 3.8Å; W34-F56 HydrophobicContact CE3-CE2 4.05Å; W34-F56 AromaticContact CE3-CZ 3.97Å; W34-F56 HydrophobicContact CE3-CZ 3.97Å; W34-F56 AromaticContact CG-CE2 3.77Å; W34-F56 HydrophobicContact CG-CE2 3.77Å; W34-F56 HydrophobicContact CH2-CE2 4.41Å; W34-F56 AromaticContact CH2-CZ 3.88Å; W34-F56 HydrophobicContact CH2-CZ 3.88Å; W34-F56 AromaticContact CZ2-CE2 3.91Å; W34-F56 HydrophobicContact CZ2-CE2 3.91Å; W34-F56 AromaticContact CZ2-CZ 3.76Å; W34-F56 HydrophobicContact CZ2-CZ 3.76Å; W34-F56 HydrophobicContact CZ3-CE2 4.48Å; W34-F56 HydrophobicContact CZ3-CZ 4Å; W34-F56 AromaticContact NE1-CE2 3.72Å; W34-T100 HydrophobicContact CE3-CG2 4.18Å; W34-T100 HydrophobicContact CH2-CG2 4.18Å; W34-T100 HydrophobicContact CZ3-CG2 3.58Å |
| 35 | H | 97.1 | Very high | 94.2 | Very high | 75 Ų | 75 | 44 Ų | 44 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.4 | 169 | -62.4 | -70.7 | 0 | 0 | 0 | 108.7 | L24 S25 L52 | L24-H35 WeakPolarHBondContact CA-O 3.22Å; S25-H35 PolarHBondContact N-O 3.06Å; S25-H35 PolarHBondContact O-N 3.22Å; H35-L52 WeakPolarHBondContact CA-O 3.42Å |
| 36 | A | 96.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 166.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L21 L24 N51 L52 | L21-A36 HydrophobicContact CD1-CB 3.69Å; L21-A36 HydrophobicContact CG-CB 4.13Å; L24-A36 HydrophobicContact CB-CB 4.36Å; L24-A36 HydrophobicContact CD1-CB 3.87Å; A36-N51 WeakPolarHBondContact O-CA 3.46Å; A36-L52 HydrophobicContact CB-CD1 3.95Å; A36-L52 HydrophobicContact CB-CD2 4.11Å; A36-L52 HydrophobicContact CB-CG 3.93Å; A36-L52 PolarHBondContact N-O 2.85Å; A36-L52 VanDerWaalsContact N-O 3.08Å; A36-L52 WeakPolarHBondContact O-CG 3.31Å; A36-L52 PolarHBondContact O-N 3.46Å |
| 37 | L | 97.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.1 | 174.5 | -173.2 | 71.7 | 0 | 0 | 0 | 108.5 | L21 R22 N23 L39 A49 N51 V148 P151 | L21-L37 WeakPolarHBondContact CA-O 3.24Å; R22-L37 HydrophobicContact CB-CB 4.36Å; R22-L37 PolarHBondContact N-O 2.71Å; R22-L37 PolarHBondContact O-N 2.7Å; N23-L37 HydrophobicContact CB-CB 4.36Å; L37-L39 HydrophobicContact CB-CD1 4.4Å; L37-L39 HydrophobicContact CD2-CD1 4.12Å; L37-L39 HydrophobicContact CG-CD1 4Å; L37-L39 VanDerWaalsContact O-CD1 3.3Å; L37-L39 WeakPolarHBondContact O-CD1 2.8Å; L37-A49 HydrophobicContact CD1-CB 3.67Å; L37-A49 HydrophobicContact CD2-CB 3.82Å; L37-A49 HydrophobicContact CG-CB 3.69Å; L37-N51 VanDerWaalsContact CD1-OD1 3.26Å; L37-N51 WeakPolarHBondContact CD1-OD1 3.34Å; L37-V148 HydrophobicContact CD1-CB 4.29Å; L37-V148 HydrophobicContact CD1-CG1 4.41Å; L37-P151 HydrophobicContact CD2-CG 3.8Å |
| 38 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.4 | 174.8 | -171.9 | 71.8 | 0 | 0 | 0 | 109.8 | Y20 P40 A49 F50 L52 F69 L107 N108 V111 | Y20-L38 HydrophobicContact CD2-CD1 4.07Å; Y20-L38 CarbonylContact O-C 3.49Å; Y20-L38 WeakPolarHBondContact O-CA 3.44Å; L38-P40 HydrophobicContact CD2-CG 4.29Å; L38-P40 HydrophobicContact CG-CG 4.34Å; L38-P40 WeakPolarHBondContact O-CD 3.39Å; L38-A49 CarbonylContact O-C 3.52Å; L38-A49 VanDerWaalsContact O-CA 3.31Å; L38-A49 WeakPolarHBondContact O-CA 3.29Å; L38-A49 WeakPolarHBondContact O-CB 3.28Å; L38-F50 PolarHBondContact N-O 3.34Å; L38-F50 PolarHBondContact O-N 3.2Å; L38-L52 HydrophobicContact CB-CD2 3.62Å; L38-F69 HydrophobicContact CD2-CE1 4.1Å; L38-F69 HydrophobicContact CD2-CZ 4.12Å; L38-L107 HydrophobicContact CD2-CG 4.5Å; L38-N108 HydrophobicContact CD1-CB 4.28Å; L38-V111 HydrophobicContact CD2-CB 4.21Å; L38-V111 HydrophobicContact CD2-CG1 4.17Å; L38-V111 HydrophobicContact CD2-CG2 3.8Å |
| 39 | L | 96.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | trans | -119 | 83.4 | 178.7 | -76.6 | 76.8 | 0 | 0 | 0 | 109.2 | Y20 R22 L37 A49 R150 P151 | Y20-L39 PolarHBondContact O-N 3.49Å; R22-L39 HydrophobicContact CB-CD1 3.77Å; R22-L39 HydrophobicContact CG-CD1 3.57Å; R22-L39 HydrophobicContact CG-CD2 3.93Å; R22-L39 HydrophobicContact CG-CG 4.44Å; L37-L39 HydrophobicContact CB-CD1 4.4Å; L37-L39 HydrophobicContact CD2-CD1 4.12Å; L37-L39 HydrophobicContact CG-CD1 4Å; L37-L39 VanDerWaalsContact O-CD1 3.3Å; L37-L39 WeakPolarHBondContact O-CD1 2.8Å; L39-A49 HydrophobicContact CD1-CB 4.39Å; L39-A49 HydrophobicContact CG-CB 4.25Å; L39-R150 HydrophobicContact CD2-CG 4.02Å; L39-R150 HydrophobicContact CG-CG 4.3Å; L39-R150 PolarHBondContact O-NH2 3.01Å; L39-P151 HydrophobicContact CD2-CG 4.19Å | ||
| 40 | P | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -58.8 | 147.3 | 176.3 | -23.4 | 36.1 | 0 | 0 | 0 | 111.2 | L38 H46 F50 V111 R150 | L38-P40 HydrophobicContact CD2-CG 4.29Å; L38-P40 HydrophobicContact CG-CG 4.34Å; L38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-H46 WeakPolarHBondContact O-CA 3.31Å; P40-F50 HydrophobicContact CG-CD2 3.88Å; P40-F50 HydrophobicContact CG-CE2 3.99Å; P40-V111 HydrophobicContact CB-CG1 4.06Å; P40-V111 HydrophobicContact CG-CG1 3.68Å; P40-R150 VanDerWaalsContact O-CZ 3.28Å; P40-R150 PolarHBondContact O-NH1 2.91Å; P40-R150 PolarHBondContact O-NH2 3.15Å | ||
| 41 | D | 92.8 | Very high | 96 | Very high | 85 Ų | 85 | 32 Ų | 32 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | trans | -101.7 | -17.6 | -178.6 | 59.3 | -59.6 | 0 | 0 | 0 | 112.9 | N112 | D41-N112 PolarHBondContact N-OD1 2.74Å; D41-N112 PolarHBondContact OD1-ND2 3.45Å; D41-N112 PolarHBondContact OD1-OD1 3.1Å; D41-N112 VanDerWaalsContact OD1-OD1 3.06Å | ||
| 42 | Q | 93.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 29.9 Ų | 29.9 | 42% | 0.416 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -100.6 | 148.6 | -176.2 | -59.5 | -59.3 | -44.1 | 0 | 0 | 113.6 | Y45 H46 N112 | Q42-Y45 PolarHBondContact O-N 3.32Å; Q42-H46 PolarHBondContact O-N 3.26Å; Q42-N112 HydrophobicContact CB-CB 4.17Å; Q42-N112 VanDerWaalsContact CB-OD1 3.26Å; Q42-N112 WeakPolarHBondContact CB-OD1 3.44Å; Q42-N112 HydrophobicContact CG-CB 3.86Å; Q42-N112 WeakPolarHBondContact CG-OD1 3.43Å; Q42-N112 PolarHBondContact N-OD1 2.9Å |
| 43 | P | 92.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 29.8 Ų | 29.8 | 46% | 0.455 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 141.5 | 161.8 | -21.6 | 32.7 | 0 | 0 | 0 | 111.3 | H46 | P43-H46 VanDerWaalsContact CA-CD2 3.44Å; P43-H46 WeakPolarHBondContact CA-CD2 3.27Å; P43-H46 VanDerWaalsContact N-CD2 3.34Å |
| 44 | P | 95.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.3 | -4.1 | 3.1 | 32.3 | -32.6 | 0 | 0 | 0 | 114.9 | R136 A139 E140 | P44-R136 HydrophobicContact CB-CG 4.14Å; P44-A139 HydrophobicContact CB-CB 3.87Å; P44-A139 HydrophobicContact CG-CB 3.33Å; P44-E140 HydrophobicContact CB-CB 4.21Å |
| 45 | Y | 96.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -87.1 | -16.2 | -165 | -52.5 | -63.7 | 0 | 0 | 0 | 114.9 | Q42 L47 K48 F50 I73 Y74 H75 V111 A139 | Q42-Y45 PolarHBondContact O-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.09Å; Y45-K48 PolarHBondContact O-N 2.86Å; Y45-F50 HydrophobicContact CD1-CE2 4.42Å; Y45-F50 HydrophobicContact CD1-CZ 4.07Å; Y45-I73 HydrophobicContact CD1-CD1 4.19Å; Y45-I73 HydrophobicContact CD1-CG1 4.19Å; Y45-I73 HydrophobicContact CE1-CD1 4.26Å; Y45-I73 HydrophobicContact CE1-CG1 4.02Å; Y45-Y74 VanDerWaalsContact CE1-O 3.31Å; Y45-Y74 WeakPolarHBondContact CE1-O 3.24Å; Y45-Y74 PolarHBondContact OH-O 3.23Å; Y45-H75 AromaticContact CE2-CD2 3.63Å; Y45-H75 AromaticContact CZ-CD2 3.55Å; Y45-H75 PolarHBondContact OH-CD2 2.82Å; Y45-V111 HydrophobicContact CD2-CG1 4.11Å; Y45-V111 VanDerWaalsContact CD2-O 3.32Å; Y45-V111 WeakPolarHBondContact CD2-O 3.46Å; Y45-V111 VanDerWaalsContact CE2-O 3.24Å; Y45-V111 WeakPolarHBondContact CE2-O 3.49Å; Y45-V111 HydrophobicContact CG-CG1 4.45Å; Y45-A139 HydrophobicContact CE1-CB 4.42Å |
| 46 | H | 95.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 27.8 Ų | 27.8 | 32% | 0.319 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -62.7 | -14.6 | -176.7 | 72.9 | 93.3 | 0 | 0 | 0 | 115.1 | P40 Q42 P43 K48 R150 | P40-H46 WeakPolarHBondContact O-CA 3.31Å; Q42-H46 PolarHBondContact O-N 3.26Å; P43-H46 VanDerWaalsContact CA-CD2 3.44Å; P43-H46 WeakPolarHBondContact CA-CD2 3.27Å; P43-H46 VanDerWaalsContact N-CD2 3.34Å; H46-K48 VanDerWaalsContact C-N 3.25Å; H46-K48 PolarHBondContact O-N 2.95Å; H46-R150 VanDerWaalsContact C-NH1 3.34Å; H46-R150 PolarHBondContact O-NH1 2.88Å |
| 47 | L | 95.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 33% | 0.325 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -70.4 | -22.6 | -178.3 | -62.6 | 178.9 | 0 | 0 | 0 | 113.4 | Y45 E140 T143 L144 | Y45-L47 PolarHBondContact O-N 3.09Å; L47-E140 HydrophobicContact CD1-CG 3.37Å; L47-T143 HydrophobicContact CB-CG2 4.33Å; L47-L144 HydrophobicContact CB-CD2 3.99Å; L47-L144 HydrophobicContact CD1-CD1 4.26Å; L47-L144 HydrophobicContact CD1-CD2 3.98Å; L47-L144 HydrophobicContact CD1-CG 4.07Å |
| 48 | K | 97.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -137.4 | -173.6 | -179.8 | -66.6 | -65.4 | -165.5 | -179.9 | 0 | 110.5 | Y45 H46 T143 V148 D149 | Y45-K48 PolarHBondContact O-N 2.86Å; H46-K48 VanDerWaalsContact C-N 3.25Å; H46-K48 PolarHBondContact O-N 2.95Å; K48-T143 HydrophobicContact CB-CG2 3.69Å; K48-T143 HydrophobicContact CG-CG2 3.89Å; K48-T143 VanDerWaalsContact CG-O 3.32Å; K48-T143 WeakPolarHBondContact CG-O 3.38Å; K48-V148 WeakPolarHBondContact CB-O 3.19Å; K48-V148 WeakPolarHBondContact CD-O 3.22Å; K48-D149 IonicContact NZ-OD1 3.24Å; K48-D149 PolarHBondContact NZ-OD1 2.97Å |
| 49 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 160.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L37 L38 L39 V148 | L37-A49 HydrophobicContact CD1-CB 3.67Å; L37-A49 HydrophobicContact CD2-CB 3.82Å; L37-A49 HydrophobicContact CG-CB 3.69Å; L38-A49 CarbonylContact O-C 3.52Å; L38-A49 VanDerWaalsContact O-CA 3.31Å; L38-A49 WeakPolarHBondContact O-CA 3.29Å; L38-A49 WeakPolarHBondContact O-CB 3.28Å; L39-A49 HydrophobicContact CD1-CB 4.39Å; L39-A49 HydrophobicContact CG-CB 4.25Å; A49-V148 PolarHBondContact N-O 3.42Å; A49-V148 WeakPolarHBondContact O-CB 3.49Å; A49-V148 PolarHBondContact O-N 3.38Å |
| 50 | F | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.7 | -172.2 | -59.9 | -89.4 | 0 | 0 | 0 | 111.1 | L38 P40 Y45 F69 T71 I73 T143 | L38-F50 PolarHBondContact N-O 3.34Å; L38-F50 PolarHBondContact O-N 3.2Å; P40-F50 HydrophobicContact CG-CD2 3.88Å; P40-F50 HydrophobicContact CG-CE2 3.99Å; Y45-F50 HydrophobicContact CD1-CE2 4.42Å; Y45-F50 HydrophobicContact CD1-CZ 4.07Å; F50-F69 HydrophobicContact CB-CD1 3.84Å; F50-F69 HydrophobicContact CB-CE1 3.78Å; F50-F69 HydrophobicContact CG-CE1 4.48Å; F50-T71 HydrophobicContact CD1-CG2 3.85Å; F50-I73 HydrophobicContact CD1-CB 3.88Å; F50-I73 HydrophobicContact CD1-CD1 4.04Å; F50-I73 HydrophobicContact CD1-CG1 4.01Å; F50-I73 HydrophobicContact CD2-CD1 4.39Å; F50-I73 HydrophobicContact CE1-CB 3.81Å; F50-I73 HydrophobicContact CE1-CD1 3.97Å; F50-I73 HydrophobicContact CE1-CG1 3.64Å; F50-I73 HydrophobicContact CE2-CD1 4.35Å; F50-I73 HydrophobicContact CG-CD1 4.25Å; F50-I73 HydrophobicContact CZ-CD1 4.12Å; F50-I73 HydrophobicContact CZ-CG1 4.03Å; F50-T143 HydrophobicContact CE2-CG2 4.49Å; F50-T143 HydrophobicContact CZ-CG2 3.87Å |
| 51 | N | 97.9 | Very high | 95.9 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 32% | 0.316 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 137.4 | 174.5 | -73.4 | -49.6 | 0 | 0 | 0 | 109.9 | A36 L37 T70 T71 | A36-N51 WeakPolarHBondContact O-CA 3.46Å; L37-N51 VanDerWaalsContact CD1-OD1 3.26Å; L37-N51 WeakPolarHBondContact CD1-OD1 3.34Å; N51-T70 WeakPolarHBondContact CB-OG1 3.36Å; N51-T70 PolarHBondContact O-N 3.2Å; N51-T70 PolarHBondContact O-OG1 2.8Å; N51-T71 WeakPolarHBondContact CB-OG1 3.38Å; N51-T71 PolarHBondContact N-OG1 3.41Å; N51-T71 PolarHBondContact O-N 2.85Å |
| 52 | L | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.1 | 177 | 62.5 | 115.5 | 0 | 0 | 0 | 110.9 | L21 H35 A36 L38 I54 K68 L104 | L21-L52 HydrophobicContact CD1-CD2 4.23Å; H35-L52 WeakPolarHBondContact CA-O 3.42Å; A36-L52 HydrophobicContact CB-CD1 3.95Å; A36-L52 HydrophobicContact CB-CD2 4.11Å; A36-L52 HydrophobicContact CB-CG 3.93Å; A36-L52 PolarHBondContact N-O 2.85Å; A36-L52 VanDerWaalsContact N-O 3.08Å; A36-L52 WeakPolarHBondContact O-CG 3.31Å; A36-L52 PolarHBondContact O-N 3.46Å; L38-L52 HydrophobicContact CB-CD2 3.62Å; L52-I54 HydrophobicContact CD1-CD1 3.78Å; L52-I54 HydrophobicContact CD1-CG1 3.55Å; L52-K68 CarbonylContact C-O 3.59Å; L52-K68 WeakPolarHBondContact CA-O 3.5Å; L52-L104 HydrophobicContact CD1-CD2 4.07Å |
| 53 | C | 97.3 | Very high | 96.1 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.8 | 173.1 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | W34 K68 T70 | W34-C53 CarbonylContact O-C 3.08Å; W34-C53 VanDerWaalsContact O-CA 3.32Å; W34-C53 WeakPolarHBondContact O-CA 3.41Å; C53-K68 PolarHBondContact N-O 3.4Å; C53-K68 PolarHBondContact O-N 2.86Å; C53-T70 HydrophobicContact CB-CG2 3.87Å |
| 54 | I | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.4 | 175.5 | -42.9 | 175.9 | 0 | 0 | 0 | 107.3 | V33 W34 L52 F56 P65 T66 I67 T100 L104 | V33-I54 CarbonylContact C-O 3.53Å; V33-I54 WeakPolarHBondContact CA-O 3.26Å; W34-I54 HydrophobicContact CB-CB 4.2Å; W34-I54 HydrophobicContact CB-CD1 4.41Å; W34-I54 HydrophobicContact CB-CG1 4.46Å; W34-I54 HydrophobicContact CE3-CD1 4.11Å; W34-I54 PolarHBondContact N-O 3.45Å; W34-I54 PolarHBondContact O-N 3.26Å; L52-I54 HydrophobicContact CD1-CD1 3.78Å; L52-I54 HydrophobicContact CD1-CG1 3.55Å; I54-F56 HydrophobicContact CB-CE2 4.19Å; I54-F56 HydrophobicContact CG2-CD2 4.38Å; I54-F56 HydrophobicContact CG2-CE1 4.48Å; I54-F56 HydrophobicContact CG2-CE2 3.74Å; I54-F56 HydrophobicContact CG2-CZ 3.81Å; I54-P65 HydrophobicContact CG2-CB 4.04Å; I54-T66 WeakPolarHBondContact CA-O 3.46Å; I54-I67 HydrophobicContact CG1-CG1 4.47Å; I54-I67 HydrophobicContact CG2-CG1 4.2Å; I54-T100 HydrophobicContact CD1-CG2 4.31Å; I54-L104 HydrophobicContact CD1-CD1 4.35Å; I54-L104 HydrophobicContact CD1-CD2 3.82Å; I54-L104 HydrophobicContact CD1-CG 4.31Å |
| 55 | S | 97.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.8 | 179.5 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | P65 T66 | S55-P65 CarbonylContact O-C 3.6Å; S55-P65 WeakPolarHBondContact O-CA 3.27Å; S55-T66 PolarHBondContact N-O 3.36Å; S55-T66 PolarHBondContact O-N 2.9Å |
| 56 | F | 97.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | trans | -94.8 | 127.3 | 177.8 | -61.9 | -94.9 | 0 | 0 | 0 | 109.6 | V6 L32 W34 I54 Y60 P65 T100 | V6-F56 HydrophobicContact CG1-CD2 3.99Å; V6-F56 HydrophobicContact CG1-CE2 4.08Å; V6-F56 HydrophobicContact CG1-CG 4.29Å; V6-F56 HydrophobicContact CG1-CZ 4.42Å; V6-F56 HydrophobicContact CG2-CB 4.2Å; V6-F56 HydrophobicContact CG2-CD1 3.74Å; V6-F56 HydrophobicContact CG2-CD2 4.38Å; V6-F56 HydrophobicContact CG2-CE1 4.17Å; V6-F56 HydrophobicContact CG2-CG 3.85Å; L32-F56 HydrophobicContact CB-CB 4.11Å; L32-F56 HydrophobicContact CD2-CB 4.12Å; L32-F56 WeakPolarHBondContact O-CD2 3.08Å; L32-F56 PolarHBondContact O-N 3.47Å; W34-F56 AromaticContact CD1-CE2 3.91Å; W34-F56 AromaticContact CD2-CE2 3.53Å; W34-F56 HydrophobicContact CD2-CE2 3.53Å; W34-F56 AromaticContact CD2-CZ 3.89Å; W34-F56 HydrophobicContact CD2-CZ 3.89Å; W34-F56 AromaticContact CE2-CE2 3.48Å; W34-F56 VanDerWaalsContact CE2-CE2 3.48Å; W34-F56 AromaticContact CE2-CZ 3.8Å; W34-F56 HydrophobicContact CE3-CE2 4.05Å; W34-F56 AromaticContact CE3-CZ 3.97Å; W34-F56 HydrophobicContact CE3-CZ 3.97Å; W34-F56 AromaticContact CG-CE2 3.77Å; W34-F56 HydrophobicContact CG-CE2 3.77Å; W34-F56 HydrophobicContact CH2-CE2 4.41Å; W34-F56 AromaticContact CH2-CZ 3.88Å; W34-F56 HydrophobicContact CH2-CZ 3.88Å; W34-F56 AromaticContact CZ2-CE2 3.91Å; W34-F56 HydrophobicContact CZ2-CE2 3.91Å; W34-F56 AromaticContact CZ2-CZ 3.76Å; W34-F56 HydrophobicContact CZ2-CZ 3.76Å; W34-F56 HydrophobicContact CZ3-CE2 4.48Å; W34-F56 HydrophobicContact CZ3-CZ 4Å; W34-F56 AromaticContact NE1-CE2 3.72Å; I54-F56 HydrophobicContact CB-CE2 4.19Å; I54-F56 HydrophobicContact CG2-CD2 4.38Å; I54-F56 HydrophobicContact CG2-CE1 4.48Å; I54-F56 HydrophobicContact CG2-CE2 3.74Å; I54-F56 HydrophobicContact CG2-CZ 3.81Å; F56-Y60 HydrophobicContact CD1-CD1 4.18Å; F56-Y60 AromaticContact CD1-CD2 3.8Å; F56-Y60 HydrophobicContact CD1-CD2 3.8Å; F56-Y60 HydrophobicContact CD1-CE1 4.26Å; F56-Y60 AromaticContact CD1-CE2 3.89Å; F56-Y60 HydrophobicContact CD1-CE2 3.89Å; F56-Y60 AromaticContact CD1-CG 3.96Å; F56-Y60 HydrophobicContact CD1-CG 3.96Å; F56-Y60 HydrophobicContact CE1-CE1 4.48Å; F56-Y60 HydrophobicContact CE1-CE2 4.15Å; F56-P65 HydrophobicContact CD1-CB 3.85Å; F56-P65 HydrophobicContact CE1-CB 4Å; F56-P65 HydrophobicContact CE1-CG 4.44Å; F56-P65 HydrophobicContact CG-CB 4.4Å; F56-T100 HydrophobicContact CE1-CG2 4.21Å; F56-T100 WeakPolarHBondContact CE1-OG1 3.44Å; F56-T100 HydrophobicContact CZ-CG2 3.79Å | ||
| 57 | P | 96 | Very high | 96.4 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | trans | -69 | 155.7 | 174.8 | 29.8 | -35.5 | 0 | 0 | 0 | 110.9 | E59 Y60 R63 P64 | P57-E59 PolarHBondContact O-N 2.82Å; P57-E59 VanDerWaalsContact O-N 3.13Å; P57-Y60 VanDerWaalsContact O-CB 3.23Å; P57-Y60 WeakPolarHBondContact O-CB 3.46Å; P57-Y60 PolarHBondContact O-N 3.09Å; P57-R63 HydrophobicContact CB-CB 4.3Å; P57-R63 HydrophobicContact CG-CB 3.63Å; P57-P64 VanDerWaalsContact CD-O 3.31Å; P57-P64 WeakPolarHBondContact CD-O 3.3Å; P57-P64 WeakPolarHBondContact CG-O 3.49Å | ||
| 58 | P | 93.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 42.3 Ų | 42.3 | 67% | 0.669 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.7 | 175.1 | -25.4 | 34.8 | 0 | 0 | 0 | 113.7 | A2 Y60 | A2-P58 WeakPolarHBondContact CB-O 3.36Å; P58-Y60 VanDerWaalsContact C-N 3.27Å; P58-Y60 PolarHBondContact O-N 3.01Å |
| 59 | E | 94.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 40.7 Ų | 40.7 | 39% | 0.388 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 2.6 | 178.3 | -51.8 | 89.1 | 160.2 | 0 | 0 | 113.6 | P57 F62 R63 | P57-E59 PolarHBondContact O-N 2.82Å; P57-E59 VanDerWaalsContact O-N 3.13Å; E59-F62 WeakPolarHBondContact O-CA 3.38Å; E59-F62 VanDerWaalsContact O-CB 3.31Å; E59-F62 WeakPolarHBondContact O-CB 3.41Å; E59-F62 WeakPolarHBondContact O-CD2 3.4Å; E59-F62 PolarHBondContact O-N 3.01Å; E59-R63 HydrophobicContact CB-CB 4.32Å; E59-R63 HydrophobicContact CB-CG 4.12Å; E59-R63 PolarHBondContact O-N 2.86Å; E59-R63 IonicContact OE1-CZ 3.03Å; E59-R63 IonicContact OE1-NH1 3.75Å; E59-R63 PolarHBondContact OE1-NH1 3.35Å; E59-R63 IonicContact OE2-NH1 3.58Å |
| 60 | Y | 95.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 133.2 | 175.6 | -173.8 | -93.3 | 0 | 0 | 0 | 110.6 | A2 R5 V6 E9 F56 P57 P58 R63 P65 W94 | A2-Y60 VanDerWaalsContact CA-O 3.29Å; A2-Y60 WeakPolarHBondContact CA-O 3.38Å; A2-Y60 WeakPolarHBondContact CB-O 3.41Å; R5-Y60 HydrophobicContact CG-CE1 4.14Å; R5-Y60 PolarHBondContact NH2-OH 2.82Å; V6-Y60 HydrophobicContact CG2-CD1 3.66Å; V6-Y60 HydrophobicContact CG2-CE1 3.92Å; V6-Y60 HydrophobicContact CG2-CG 4.45Å; E9-Y60 PolarHBondContact OE1-OH 3.17Å; F56-Y60 HydrophobicContact CD1-CD1 4.18Å; F56-Y60 AromaticContact CD1-CD2 3.8Å; F56-Y60 HydrophobicContact CD1-CD2 3.8Å; F56-Y60 HydrophobicContact CD1-CE1 4.26Å; F56-Y60 AromaticContact CD1-CE2 3.89Å; F56-Y60 HydrophobicContact CD1-CE2 3.89Å; F56-Y60 AromaticContact CD1-CG 3.96Å; F56-Y60 HydrophobicContact CD1-CG 3.96Å; F56-Y60 HydrophobicContact CE1-CE1 4.48Å; F56-Y60 HydrophobicContact CE1-CE2 4.15Å; P57-Y60 VanDerWaalsContact O-CB 3.23Å; P57-Y60 WeakPolarHBondContact O-CB 3.46Å; P57-Y60 PolarHBondContact O-N 3.09Å; P58-Y60 VanDerWaalsContact C-N 3.27Å; P58-Y60 PolarHBondContact O-N 3.01Å; Y60-R63 WeakPolarHBondContact CD2-O 3.32Å; Y60-P65 HydrophobicContact CE2-CG 4.49Å; Y60-W94 HydrophobicContact CD2-CZ2 4.18Å; Y60-W94 AromaticContact CE2-CH2 3.75Å; Y60-W94 HydrophobicContact CE2-CH2 3.75Å; Y60-W94 AromaticContact CE2-CZ2 3.59Å; Y60-W94 HydrophobicContact CE2-CZ2 3.59Å |
| 61 | P | 94.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.3 | 10.3 | 11.8 | 39.5 | -39.5 | 0 | 0 | 0 | 115.3 | R5 R63 W94 P96 | R5-P61 VanDerWaalsContact NH1-CG 3.27Å; P61-R63 VanDerWaalsContact C-N 3.32Å; P61-W94 PolarHBondContact O-NE1 2.81Å; P61-P96 HydrophobicContact CB-CB 4.19Å; P61-P96 HydrophobicContact CG-CB 4.2Å; P61-P96 VanDerWaalsContact O-CA 3.3Å; P61-P96 WeakPolarHBondContact O-CA 3.27Å; P61-P96 WeakPolarHBondContact O-CB 3.29Å |
| 62 | F | 94.8 | Very high | 96.4 | Very high | 158 Ų | 158 | 48.4 Ų | 48.4 | 69% | 0.693 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -74.2 | -24.3 | 180 | -57.4 | -72 | 0 | 0 | 0 | 113 | E59 P96 | E59-F62 WeakPolarHBondContact O-CA 3.38Å; E59-F62 VanDerWaalsContact O-CB 3.31Å; E59-F62 WeakPolarHBondContact O-CB 3.41Å; E59-F62 WeakPolarHBondContact O-CD2 3.4Å; E59-F62 PolarHBondContact O-N 3.01Å; F62-P96 HydrophobicContact CD1-CG 4.28Å |
| 63 | R | 95.1 | Very high | 96.4 | Very high | 140 Ų | 140 | 48.9 Ų | 48.9 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -113 | 145.9 | 167.7 | -72.9 | -174.2 | 172.9 | 166.9 | -4.3 | 111.1 | P57 E59 Y60 P61 | P57-R63 HydrophobicContact CB-CB 4.3Å; P57-R63 HydrophobicContact CG-CB 3.63Å; E59-R63 HydrophobicContact CB-CB 4.32Å; E59-R63 HydrophobicContact CB-CG 4.12Å; E59-R63 PolarHBondContact O-N 2.86Å; E59-R63 IonicContact OE1-CZ 3.03Å; E59-R63 IonicContact OE1-NH1 3.75Å; E59-R63 PolarHBondContact OE1-NH1 3.35Å; E59-R63 IonicContact OE2-NH1 3.58Å; Y60-R63 WeakPolarHBondContact CD2-O 3.32Å; P61-R63 VanDerWaalsContact C-N 3.32Å |
| 64 | P | 96.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | trans | -67.5 | 154.1 | 179.1 | 26.8 | -33.2 | 0 | 0 | 0 | 112 | P57 I89 W94 | P57-P64 VanDerWaalsContact CD-O 3.31Å; P57-P64 WeakPolarHBondContact CD-O 3.3Å; P57-P64 WeakPolarHBondContact CG-O 3.49Å; P64-I89 HydrophobicContact CB-CB 3.94Å; P64-I89 HydrophobicContact CB-CG2 4.38Å; P64-I89 VanDerWaalsContact CB-O 3.31Å; P64-I89 WeakPolarHBondContact CB-O 3.41Å; P64-I89 VanDerWaalsContact CG-O 3.29Å; P64-I89 WeakPolarHBondContact CG-O 3.48Å; P64-W94 HydrophobicContact CB-CB 4.11Å; P64-W94 HydrophobicContact CB-CD2 3.53Å; P64-W94 HydrophobicContact CB-CE3 3.69Å; P64-W94 HydrophobicContact CB-CG 3.7Å; P64-W94 HydrophobicContact CB-CZ3 4.36Å; P64-W94 HydrophobicContact CG-CB 4.24Å; P64-W94 HydrophobicContact CG-CD2 4.44Å; P64-W94 HydrophobicContact CG-CG 4.12Å | ||
| 65 | P | 96.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | trans | -71.6 | 158.7 | 167 | 33.1 | -33.1 | 0 | 0 | 0 | 110.7 | I54 S55 F56 Y60 I89 | I54-P65 HydrophobicContact CG2-CB 4.04Å; S55-P65 CarbonylContact O-C 3.6Å; S55-P65 WeakPolarHBondContact O-CA 3.27Å; F56-P65 HydrophobicContact CD1-CB 3.85Å; F56-P65 HydrophobicContact CE1-CB 4Å; F56-P65 HydrophobicContact CE1-CG 4.44Å; F56-P65 HydrophobicContact CG-CB 4.4Å; Y60-P65 HydrophobicContact CE2-CG 4.49Å; P65-I89 HydrophobicContact CG-CG2 4.13Å | ||
| 66 | T | 96.6 | Very high | 96.4 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.6 | 170.6 | -50.9 | 0 | 0 | 0 | 0 | 109.9 | I54 S55 Y83 | I54-T66 WeakPolarHBondContact CA-O 3.46Å; S55-T66 PolarHBondContact N-O 3.36Å; S55-T66 PolarHBondContact O-N 2.9Å; T66-Y83 HydrophobicContact CG2-CD1 3.83Å; T66-Y83 HydrophobicContact CG2-CE1 3.8Å |
| 67 | I | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.6 | 177.2 | -64.4 | 177.2 | 0 | 0 | 0 | 109.3 | I54 V84 L86 I89 V103 L107 | I54-I67 HydrophobicContact CG1-CG1 4.47Å; I54-I67 HydrophobicContact CG2-CG1 4.2Å; I67-V84 HydrophobicContact CG2-CG2 4.2Å; I67-V84 PolarHBondContact O-N 3.46Å; I67-L86 HydrophobicContact CD1-CD1 4.07Å; I67-I89 HydrophobicContact CD1-CD1 4.45Å; I67-I89 HydrophobicContact CG1-CD1 4.43Å; I67-V103 HydrophobicContact CD1-CG1 3.45Å; I67-V103 VanDerWaalsContact CD1-CG1 3.45Å; I67-L107 HydrophobicContact CD1-CD2 4.46Å; I67-L107 HydrophobicContact CG2-CD1 4.45Å; I67-L107 HydrophobicContact CG2-CD2 4.01Å |
| 68 | K | 97.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 127.7 | 177.3 | -173.4 | -177.5 | -174.2 | 177.5 | 0 | 110.4 | L52 C53 T70 S81 G82 Y83 | L52-K68 CarbonylContact C-O 3.59Å; L52-K68 WeakPolarHBondContact CA-O 3.5Å; C53-K68 PolarHBondContact N-O 3.4Å; C53-K68 PolarHBondContact O-N 2.86Å; K68-T70 PolarHBondContact O-N 3.08Å; K68-S81 WeakPolarHBondContact CE-O 3.26Å; K68-G82 CarbonylContact C-O 3.18Å; K68-G82 WeakPolarHBondContact CA-O 3.4Å; K68-Y83 HydrophobicContact CB-CD1 4.28Å; K68-Y83 HydrophobicContact CB-CE1 4.3Å; K68-Y83 HydrophobicContact CD-CE1 4.22Å; K68-Y83 HydrophobicContact CD-CE2 4.28Å; K68-Y83 HydrophobicContact CG-CD1 4.43Å; K68-Y83 HydrophobicContact CG-CE1 4.41Å |
| 69 | F | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123.4 | 164.9 | -75.6 | -80.2 | 0 | 0 | 0 | 109.8 | L38 F50 T71 I73 V78 G82 V84 L107 V111 | L38-F69 HydrophobicContact CD2-CE1 4.1Å; L38-F69 HydrophobicContact CD2-CZ 4.12Å; F50-F69 HydrophobicContact CB-CD1 3.84Å; F50-F69 HydrophobicContact CB-CE1 3.78Å; F50-F69 HydrophobicContact CG-CE1 4.48Å; F69-T71 WeakPolarHBondContact CB-O 3.32Å; F69-I73 HydrophobicContact CB-CG2 4.37Å; F69-I73 HydrophobicContact CD1-CG2 4.46Å; F69-I73 HydrophobicContact CD2-CG2 4.04Å; F69-I73 HydrophobicContact CE1-CD1 4.42Å; F69-I73 HydrophobicContact CE2-CG2 4.43Å; F69-I73 HydrophobicContact CG-CG2 4.04Å; F69-I73 HydrophobicContact CZ-CD1 4.38Å; F69-V78 HydrophobicContact CD2-CB 4.49Å; F69-V78 HydrophobicContact CD2-CG1 3.72Å; F69-V78 HydrophobicContact CD2-CG2 3.89Å; F69-V78 HydrophobicContact CE2-CG1 4.39Å; F69-V78 HydrophobicContact CE2-CG2 3.68Å; F69-G82 PolarHBondContact N-O 2.79Å; F69-V84 HydrophobicContact CD2-CG2 3.45Å; F69-V84 VanDerWaalsContact CD2-CG2 3.45Å; F69-V84 HydrophobicContact CE2-CG2 3.38Å; F69-L107 HydrophobicContact CE2-CD1 4.03Å; F69-L107 HydrophobicContact CZ-CD1 4.04Å; F69-V111 HydrophobicContact CE2-CG2 4.44Å; F69-V111 HydrophobicContact CZ-CG2 3.79Å |
| 70 | T | 97.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -88.3 | -24.4 | 171 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | N51 C53 K68 | N51-T70 WeakPolarHBondContact CB-OG1 3.36Å; N51-T70 PolarHBondContact O-N 3.2Å; N51-T70 PolarHBondContact O-OG1 2.8Å; C53-T70 HydrophobicContact CB-CG2 3.87Å; K68-T70 PolarHBondContact O-N 3.08Å |
| 71 | T | 97.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -85.3 | 133.8 | 166.9 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | F50 N51 F69 I73 Y146 V148 | F50-T71 HydrophobicContact CD1-CG2 3.85Å; N51-T71 WeakPolarHBondContact CB-OG1 3.38Å; N51-T71 PolarHBondContact N-OG1 3.41Å; N51-T71 PolarHBondContact O-N 2.85Å; F69-T71 WeakPolarHBondContact CB-O 3.32Å; T71-I73 PolarHBondContact O-N 2.83Å; T71-Y146 WeakPolarHBondContact CG2-O 3.31Å; T71-V148 HydrophobicContact CG2-CG2 4.13Å; T71-V148 WeakPolarHBondContact OG1-CG2 3.37Å |
| 72 | K | 96.5 | Very high | 96.3 | Very high | 127 Ų | 127 | 50.5 Ų | 50.5 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | trans | -62.7 | 138.2 | 175.9 | -61.8 | -174.8 | 178.4 | -175.6 | 0 | 110.4 | F142 Y146 | K72-F142 HydrophobicContact CB-CE1 3.73Å; K72-F142 HydrophobicContact CB-CZ 3.9Å; K72-F142 HydrophobicContact CD-CZ 4.42Å; K72-Y146 HydrophobicContact CB-CG 4.29Å; K72-Y146 HydrophobicContact CD-CD1 4.08Å; K72-Y146 HydrophobicContact CD-CE1 4.3Å; K72-Y146 HydrophobicContact CD-CG 4.41Å | ||
| 73 | I | 97.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | trans | -135.7 | 139.3 | 177.7 | -170.8 | 173.9 | 0 | 0 | 0 | 110.6 | Y45 F50 F69 T71 H75 V78 V111 R121 | Y45-I73 HydrophobicContact CD1-CD1 4.19Å; Y45-I73 HydrophobicContact CD1-CG1 4.19Å; Y45-I73 HydrophobicContact CE1-CD1 4.26Å; Y45-I73 HydrophobicContact CE1-CG1 4.02Å; F50-I73 HydrophobicContact CD1-CB 3.88Å; F50-I73 HydrophobicContact CD1-CD1 4.04Å; F50-I73 HydrophobicContact CD1-CG1 4.01Å; F50-I73 HydrophobicContact CD2-CD1 4.39Å; F50-I73 HydrophobicContact CE1-CB 3.81Å; F50-I73 HydrophobicContact CE1-CD1 3.97Å; F50-I73 HydrophobicContact CE1-CG1 3.64Å; F50-I73 HydrophobicContact CE2-CD1 4.35Å; F50-I73 HydrophobicContact CG-CD1 4.25Å; F50-I73 HydrophobicContact CZ-CD1 4.12Å; F50-I73 HydrophobicContact CZ-CG1 4.03Å; F69-I73 HydrophobicContact CB-CG2 4.37Å; F69-I73 HydrophobicContact CD1-CG2 4.46Å; F69-I73 HydrophobicContact CD2-CG2 4.04Å; F69-I73 HydrophobicContact CE1-CD1 4.42Å; F69-I73 HydrophobicContact CE2-CG2 4.43Å; F69-I73 HydrophobicContact CG-CG2 4.04Å; F69-I73 HydrophobicContact CZ-CD1 4.38Å; T71-I73 PolarHBondContact O-N 2.83Å; I73-H75 HydrophobicContact CD1-CB 4.2Å; I73-H75 HydrophobicContact CG1-CB 4.05Å; I73-H75 HydrophobicContact CG2-CB 4.42Å; I73-H75 PolarHBondContact O-N 2.8Å; I73-V78 HydrophobicContact CG2-CB 3.87Å; I73-V78 HydrophobicContact CG2-CG1 3.64Å; I73-V78 HydrophobicContact CG2-CG2 3.93Å; I73-V111 HydrophobicContact CD1-CG1 4.32Å; I73-R121 PolarHBondContact O-NH2 2.94Å | ||
| 74 | Y | 97.3 | Very high | 96.3 | Very high | 40 Ų | 40 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | trans | -94.7 | 85.9 | 176.6 | -166.7 | -89.4 | 0 | 0 | 0 | 109.8 | Y45 L124 F135 N138 A139 F142 | Y45-Y74 VanDerWaalsContact CE1-O 3.31Å; Y45-Y74 WeakPolarHBondContact CE1-O 3.24Å; Y45-Y74 PolarHBondContact OH-O 3.23Å; Y74-L124 HydrophobicContact CD1-CD1 4.01Å; Y74-L124 HydrophobicContact CD1-CD2 4.38Å; Y74-L124 HydrophobicContact CD2-CD1 4.33Å; Y74-L124 HydrophobicContact CE1-CD1 3.98Å; Y74-L124 HydrophobicContact CE1-CD2 3.53Å; Y74-L124 HydrophobicContact CE1-CG 4.37Å; Y74-L124 HydrophobicContact CE2-CD1 4.29Å; Y74-L124 HydrophobicContact CE2-CD2 3.74Å; Y74-L124 HydrophobicContact CG-CD1 4.21Å; Y74-L124 WeakPolarHBondContact OH-CD2 3.35Å; Y74-F135 AromaticContact CD1-CE2 3.98Å; Y74-F135 HydrophobicContact CD1-CE2 3.98Å; Y74-F135 HydrophobicContact CD1-CZ 4.31Å; Y74-F135 AromaticContact CE1-CD2 3.98Å; Y74-F135 HydrophobicContact CE1-CD2 3.98Å; Y74-F135 AromaticContact CE1-CE2 3.78Å; Y74-F135 HydrophobicContact CE1-CE2 3.78Å; Y74-N138 HydrophobicContact CE1-CB 4.19Å; Y74-A139 HydrophobicContact CD1-CB 3.76Å; Y74-A139 HydrophobicContact CG-CB 4.49Å; Y74-F142 HydrophobicContact CD2-CB 4.46Å; Y74-F142 HydrophobicContact CD2-CD2 4.01Å; Y74-F142 HydrophobicContact CD2-CE2 4.44Å; Y74-F142 HydrophobicContact CD2-CG 4.18Å; Y74-F142 HydrophobicContact CG-CB 4.34Å; Y74-F142 HydrophobicContact CG-CG 4.31Å | ||
| 75 | H | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -145.3 | 134.2 | -170.5 | -169.6 | -77 | 0 | 0 | 0 | 110.8 | Y45 I73 N77 V78 L110 V111 R121 | Y45-H75 AromaticContact CE2-CD2 3.63Å; Y45-H75 AromaticContact CZ-CD2 3.55Å; Y45-H75 PolarHBondContact OH-CD2 2.82Å; I73-H75 HydrophobicContact CD1-CB 4.2Å; I73-H75 HydrophobicContact CG1-CB 4.05Å; I73-H75 HydrophobicContact CG2-CB 4.42Å; I73-H75 PolarHBondContact O-N 2.8Å; H75-N77 VanDerWaalsContact C-N 3.31Å; H75-N77 PolarHBondContact CE1-OD1 3.45Å; H75-N77 VanDerWaalsContact CE1-OD1 3.28Å; H75-N77 PolarHBondContact ND1-N 2.77Å; H75-N77 PolarHBondContact O-N 3.09Å; H75-V78 HydrophobicContact CB-CB 4.24Å; H75-V78 HydrophobicContact CB-CG2 3.92Å; H75-V78 PolarHBondContact O-N 3.3Å; H75-V78 VanDerWaalsContact O-N 3.16Å; H75-L110 PolarHBondContact CE1-O 2.77Å; H75-L110 PolarHBondContact NE2-O 3.14Å; H75-L110 VanDerWaalsContact NE2-O 3.14Å; H75-V111 WeakPolarHBondContact NE2-CA 3.17Å; H75-V111 PolarHBondContact NE2-O 3.41Å; H75-R121 PolarHBondContact O-NE 3.14Å; H75-R121 PolarHBondContact O-NH2 2.95Å | ||
| 76 | P | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.6 | -173.7 | 27.7 | -36.9 | 0 | 0 | 0 | 113.7 | P114 P119 L120 R121 L124 A125 L128 | P76-P114 HydrophobicContact CG-CB 3.54Å; P76-P114 HydrophobicContact CG-CG 4.33Å; P76-P119 HydrophobicContact CB-CB 4.34Å; P76-L120 PolarHBondContact O-N 3.46Å; P76-R121 PolarHBondContact O-N 3.28Å; P76-L124 HydrophobicContact CB-CB 3.92Å; P76-A125 HydrophobicContact CB-CB 4.11Å; P76-L128 HydrophobicContact CG-CD2 4.46Å |
| 77 | N | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 12.3 | 176.4 | -50.8 | 102.6 | 0 | 0 | 0 | 114.9 | H75 C85 L110 P114 N115 E118 L120 | H75-N77 VanDerWaalsContact C-N 3.31Å; H75-N77 PolarHBondContact CE1-OD1 3.45Å; H75-N77 VanDerWaalsContact CE1-OD1 3.28Å; H75-N77 PolarHBondContact ND1-N 2.77Å; H75-N77 PolarHBondContact O-N 3.09Å; N77-C85 PolarHBondContact O-N 2.93Å; N77-L110 HydrophobicContact CB-CD1 4.1Å; N77-L110 HydrophobicContact CB-CD2 3.88Å; N77-L110 HydrophobicContact CB-CG 4.12Å; N77-P114 WeakPolarHBondContact OD1-CA 3.38Å; N77-N115 PolarHBondContact ND2-O 2.77Å; N77-N115 PolarHBondContact OD1-N 3.16Å; N77-E118 PolarHBondContact ND2-O 2.99Å; N77-E118 VanDerWaalsContact ND2-O 3.11Å; N77-L120 WeakPolarHBondContact O-CD1 3.4Å |
| 78 | V | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -124.3 | 128.4 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | F69 I73 H75 Y83 V84 R121 | F69-V78 HydrophobicContact CD2-CB 4.49Å; F69-V78 HydrophobicContact CD2-CG1 3.72Å; F69-V78 HydrophobicContact CD2-CG2 3.89Å; F69-V78 HydrophobicContact CE2-CG1 4.39Å; F69-V78 HydrophobicContact CE2-CG2 3.68Å; I73-V78 HydrophobicContact CG2-CB 3.87Å; I73-V78 HydrophobicContact CG2-CG1 3.64Å; I73-V78 HydrophobicContact CG2-CG2 3.93Å; H75-V78 HydrophobicContact CB-CB 4.24Å; H75-V78 HydrophobicContact CB-CG2 3.92Å; H75-V78 PolarHBondContact O-N 3.3Å; H75-V78 VanDerWaalsContact O-N 3.16Å; V78-Y83 WeakPolarHBondContact CA-O 3.48Å; V78-V84 HydrophobicContact CG1-CG2 4.46Å; V78-V84 HydrophobicContact CG2-CG1 4.5Å; V78-V84 HydrophobicContact CG2-CG2 4.13Å; V78-R121 PolarHBondContact O-NE 2.91Å; V78-R121 PolarHBondContact O-NH2 3.41Å; V78-R121 VanDerWaalsContact O-NH2 3.09Å |
| 79 | D | 95.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | trans | -75.2 | 174.8 | 177.1 | 77.6 | 7.6 | 0 | 0 | 0 | 112.4 | S81 G82 Y83 L120 | D79-S81 PolarHBondContact O-N 2.88Å; D79-S81 VanDerWaalsContact OD1-C 3.26Å; D79-S81 VanDerWaalsContact OD1-CA 3.29Å; D79-S81 WeakPolarHBondContact OD1-CA 3.43Å; D79-S81 WeakPolarHBondContact OD1-CB 3.47Å; D79-S81 PolarHBondContact OD1-N 2.83Å; D79-G82 PolarHBondContact O-N 3.2Å; D79-G82 VanDerWaalsContact O-N 3.1Å; D79-G82 PolarHBondContact OD1-N 2.83Å; D79-Y83 PolarHBondContact N-O 3.02Å; D79-Y83 PolarHBondContact OD1-N 3.04Å; D79-L120 HydrophobicContact CB-CB 4.49Å; D79-L120 HydrophobicContact CB-CD1 4.18Å | ||
| 80 | E | 91.9 | Very high | 94.4 | Very high | 178 Ų | 178 | 43.8 Ų | 43.8 | 83% | 0.832 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.9 | 179 | -62.4 | -171.8 | 172 | 0 | 0 | 113.7 | G82 | E80-G82 VanDerWaalsContact C-N 3.29Š|
| 81 | S | 94.7 | Very high | 94 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.3 | 175.3 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | K68 D79 | K68-S81 WeakPolarHBondContact CE-O 3.26Å; D79-S81 PolarHBondContact O-N 2.88Å; D79-S81 VanDerWaalsContact OD1-C 3.26Å; D79-S81 VanDerWaalsContact OD1-CA 3.29Å; D79-S81 WeakPolarHBondContact OD1-CA 3.43Å; D79-S81 WeakPolarHBondContact OD1-CB 3.47Å; D79-S81 PolarHBondContact OD1-N 2.83Å |
| 82 | G | 95.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | trans | 93.9 | 2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | K68 F69 D79 E80 | K68-G82 CarbonylContact C-O 3.18Å; K68-G82 WeakPolarHBondContact CA-O 3.4Å; F69-G82 PolarHBondContact N-O 2.79Å; D79-G82 PolarHBondContact O-N 3.2Å; D79-G82 VanDerWaalsContact O-N 3.1Å; D79-G82 PolarHBondContact OD1-N 2.83Å; E80-G82 VanDerWaalsContact C-N 3.29Å | ||
| 83 | Y | 95.7 | Very high | 93.5 | Very high | 104 Ų | 104 | 51.7 Ų | 51.7 | 41% | 0.408 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 143.2 | 176.1 | -69 | -80.5 | 0 | 0 | 0 | 111.2 | T66 K68 V78 D79 L120 | T66-Y83 HydrophobicContact CG2-CD1 3.83Å; T66-Y83 HydrophobicContact CG2-CE1 3.8Å; K68-Y83 HydrophobicContact CB-CD1 4.28Å; K68-Y83 HydrophobicContact CB-CE1 4.3Å; K68-Y83 HydrophobicContact CD-CE1 4.22Å; K68-Y83 HydrophobicContact CD-CE2 4.28Å; K68-Y83 HydrophobicContact CG-CD1 4.43Å; K68-Y83 HydrophobicContact CG-CE1 4.41Å; V78-Y83 WeakPolarHBondContact CA-O 3.48Å; D79-Y83 PolarHBondContact N-O 3.02Å; D79-Y83 PolarHBondContact OD1-N 3.04Å; Y83-L120 WeakPolarHBondContact O-CD1 3.38Å |
| 84 | V | 93.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -112.6 | 132 | -177.6 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | I67 F69 V78 L86 L107 L110 | I67-V84 HydrophobicContact CG2-CG2 4.2Å; I67-V84 PolarHBondContact O-N 3.46Å; F69-V84 HydrophobicContact CD2-CG2 3.45Å; F69-V84 VanDerWaalsContact CD2-CG2 3.45Å; F69-V84 HydrophobicContact CE2-CG2 3.38Å; V78-V84 HydrophobicContact CG1-CG2 4.46Å; V78-V84 HydrophobicContact CG2-CG1 4.5Å; V78-V84 HydrophobicContact CG2-CG2 4.13Å; V84-L86 HydrophobicContact CB-CD1 4.46Å; V84-L86 HydrophobicContact CG1-CD1 3.98Å; V84-L86 HydrophobicContact CG1-CG 3.88Å; V84-L107 HydrophobicContact CB-CD1 4.45Å; V84-L107 HydrophobicContact CG1-CD1 3.95Å; V84-L107 HydrophobicContact CG2-CD1 4.11Å; V84-L110 HydrophobicContact CG1-CD2 3.73Å |
| 85 | C | 84.7 | Confident | 93.4 | Very high | 56 Ų | 56 | 57 Ų | 57 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | trans | -88.8 | 107.8 | 166.6 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | N77 L120 | N77-C85 PolarHBondContact O-N 2.93Å; C85-L120 HydrophobicContact CB-CD1 3.89Å; C85-L120 HydrophobicContact CB-CD2 3.9Å; C85-L120 HydrophobicContact CB-CG 3.85Å | ||
| 86 | L | 90.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | trans | -117.5 | 119.1 | 178.2 | -92.7 | 160.1 | 0 | 0 | 0 | 108.7 | I67 V84 I88 I89 S90 A106 L107 L110 | I67-L86 HydrophobicContact CD1-CD1 4.07Å; V84-L86 HydrophobicContact CB-CD1 4.46Å; V84-L86 HydrophobicContact CG1-CD1 3.98Å; V84-L86 HydrophobicContact CG1-CG 3.88Å; L86-I88 HydrophobicContact CB-CG2 4.45Å; L86-I88 PolarHBondContact O-N 2.99Å; L86-I88 VanDerWaalsContact O-N 3.09Å; L86-I89 HydrophobicContact CB-CD1 3.87Å; L86-I89 HydrophobicContact CB-CG1 3.54Å; L86-I89 HydrophobicContact CD1-CD1 4.29Å; L86-I89 VanDerWaalsContact O-CG1 3.24Å; L86-I89 WeakPolarHBondContact O-CG1 3.33Å; L86-I89 PolarHBondContact O-N 3.44Å; L86-S90 PolarHBondContact O-N 2.89Å; L86-A106 HydrophobicContact CD2-CB 4.09Å; L86-L107 HydrophobicContact CD1-CB 3.86Å; L86-L107 HydrophobicContact CD1-CD1 3.77Å; L86-L107 HydrophobicContact CD1-CG 4.39Å; L86-L110 HydrophobicContact CD2-CB 4.18Å; L86-L110 HydrophobicContact CD2-CD2 3.73Å; L86-L110 HydrophobicContact CG-CD2 3.91Å | ||
| 87 | P | 89.9 | Confident | 93.1 | Very high | 52 Ų | 52 | 64 Ų | 64 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -54.9 | -34.2 | -177.6 | -30 | 35.8 | 0 | 0 | 0 | 113.8 | I89 S90 N93 | P87-I89 VanDerWaalsContact C-N 3.26Å; P87-I89 PolarHBondContact O-N 3.19Å; P87-S90 PolarHBondContact O-N 3.14Å; P87-S90 PolarHBondContact O-OG 2.83Å; P87-S90 VanDerWaalsContact O-OG 3.09Å; P87-N93 WeakPolarHBondContact O-CB 3.36Å; P87-N93 PolarHBondContact O-ND2 3.48Å |
| 88 | I | 93.5 | Very high | 93.1 | Very high | 47 Ų | 47 | 64.6 Ų | 64.6 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -67.2 | -22.3 | -179.3 | -167.4 | 173 | 0 | 0 | 0 | 114 | L86 T98 Q102 V103 A106 | L86-I88 HydrophobicContact CB-CG2 4.45Å; L86-I88 PolarHBondContact O-N 2.99Å; L86-I88 VanDerWaalsContact O-N 3.09Å; I88-T98 HydrophobicContact CD1-CG2 3.74Å; I88-T98 HydrophobicContact CG1-CG2 3.93Å; I88-Q102 HydrophobicContact CD1-CB 4.23Å; I88-V103 HydrophobicContact CG2-CG1 4.36Å; I88-V103 HydrophobicContact CG2-CG2 4.4Å; I88-A106 HydrophobicContact CG2-CB 3.86Å |
| 89 | I | 93 | Very high | 93 | Very high | 20 Ų | 20 | 69.9 Ų | 69.9 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -110 | 9.1 | 176.9 | 58.5 | 171 | 0 | 0 | 0 | 112.5 | P64 P65 I67 L86 P87 W94 V103 | P64-I89 HydrophobicContact CB-CB 3.94Å; P64-I89 HydrophobicContact CB-CG2 4.38Å; P64-I89 VanDerWaalsContact CB-O 3.31Å; P64-I89 WeakPolarHBondContact CB-O 3.41Å; P64-I89 VanDerWaalsContact CG-O 3.29Å; P64-I89 WeakPolarHBondContact CG-O 3.48Å; P65-I89 HydrophobicContact CG-CG2 4.13Å; I67-I89 HydrophobicContact CD1-CD1 4.45Å; I67-I89 HydrophobicContact CG1-CD1 4.43Å; L86-I89 HydrophobicContact CB-CD1 3.87Å; L86-I89 HydrophobicContact CB-CG1 3.54Å; L86-I89 HydrophobicContact CD1-CD1 4.29Å; L86-I89 VanDerWaalsContact O-CG1 3.24Å; L86-I89 WeakPolarHBondContact O-CG1 3.33Å; L86-I89 PolarHBondContact O-N 3.44Å; P87-I89 VanDerWaalsContact C-N 3.26Å; P87-I89 PolarHBondContact O-N 3.19Å; I89-W94 HydrophobicContact CG2-CE3 4.17Å; I89-W94 HydrophobicContact CG2-CZ3 4.04Å; I89-V103 HydrophobicContact CG2-CB 4.33Å; I89-V103 HydrophobicContact CG2-CG1 3.54Å; I89-V103 HydrophobicContact CG2-CG2 3.76Å |
| 90 | S | 91.6 | Very high | 93 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -67.7 | 146.4 | 171 | 79.8 | 0 | 0 | 0 | 0 | 109.7 | L86 P87 E92 N93 W94 | L86-S90 PolarHBondContact O-N 2.89Å; P87-S90 PolarHBondContact O-N 3.14Å; P87-S90 PolarHBondContact O-OG 2.83Å; P87-S90 VanDerWaalsContact O-OG 3.09Å; S90-E92 PolarHBondContact O-N 3.05Å; S90-E92 VanDerWaalsContact O-N 3.09Å; S90-N93 PolarHBondContact O-N 3.1Å; S90-N93 VanDerWaalsContact O-N 3.12Å; S90-N93 WeakPolarHBondContact OG-CB 3.46Å; S90-N93 PolarHBondContact OG-N 3.31Å; S90-N93 PolarHBondContact OG-ND2 2.81Å; S90-W94 WeakPolarHBondContact O-CB 3.29Å; S90-W94 PolarHBondContact O-N 2.83Å |
| 91 | S | 88.6 | Confident | 93.2 | Very high | 114 Ų | 114 | 61.4 Ų | 61.4 | 80% | 0.797 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.8 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 92 | E | 90.1 | Very high | 93.3 | Very high | 183 Ų | 183 | 62 Ų | 62 | 86% | 0.855 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -32.9 | -179.6 | -60.9 | -178.6 | 172.4 | 0 | 0 | 113 | S90 | S90-E92 PolarHBondContact O-N 3.05Å; S90-E92 VanDerWaalsContact O-N 3.09Å |
| 93 | N | 93.1 | Very high | 93.3 | Very high | 90 Ų | 90 | 61.6 Ų | 61.6 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -10.5 | -174.3 | -67.4 | -41.1 | 0 | 0 | 0 | 113.5 | P87 S90 K95 | P87-N93 WeakPolarHBondContact O-CB 3.36Å; P87-N93 PolarHBondContact O-ND2 3.48Å; S90-N93 PolarHBondContact O-N 3.1Å; S90-N93 VanDerWaalsContact O-N 3.12Å; S90-N93 WeakPolarHBondContact OG-CB 3.46Å; S90-N93 PolarHBondContact OG-N 3.31Å; S90-N93 PolarHBondContact OG-ND2 2.81Å; N93-K95 PolarHBondContact O-N 3.06Å |
| 94 | W | 96 | Very high | 93.3 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | trans | -61.8 | 130.8 | -177.3 | 177.1 | -109.4 | 0 | 0 | 0 | 111.3 | Y60 P61 P64 I89 S90 T98 V103 | Y60-W94 HydrophobicContact CD2-CZ2 4.18Å; Y60-W94 AromaticContact CE2-CH2 3.75Å; Y60-W94 HydrophobicContact CE2-CH2 3.75Å; Y60-W94 AromaticContact CE2-CZ2 3.59Å; Y60-W94 HydrophobicContact CE2-CZ2 3.59Å; P61-W94 PolarHBondContact O-NE1 2.81Å; P64-W94 HydrophobicContact CB-CB 4.11Å; P64-W94 HydrophobicContact CB-CD2 3.53Å; P64-W94 HydrophobicContact CB-CE3 3.69Å; P64-W94 HydrophobicContact CB-CG 3.7Å; P64-W94 HydrophobicContact CB-CZ3 4.36Å; P64-W94 HydrophobicContact CG-CB 4.24Å; P64-W94 HydrophobicContact CG-CD2 4.44Å; P64-W94 HydrophobicContact CG-CG 4.12Å; I89-W94 HydrophobicContact CG2-CE3 4.17Å; I89-W94 HydrophobicContact CG2-CZ3 4.04Å; S90-W94 WeakPolarHBondContact O-CB 3.29Å; S90-W94 PolarHBondContact O-N 2.83Å; W94-T98 HydrophobicContact CH2-CG2 4.28Å; W94-T98 HydrophobicContact CZ3-CG2 3.78Å; W94-V103 HydrophobicContact CZ3-CG2 4.17Å | ||
| 95 | K | 95.4 | Very high | 93.5 | Very high | 134 Ų | 134 | 61.2 Ų | 61.2 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | trans | -121.2 | 130.4 | 174.4 | -62.9 | 179.8 | -176.8 | 177.5 | 0 | 108.7 | N93 C97 T98 | N93-K95 PolarHBondContact O-N 3.06Å; K95-C97 PolarHBondContact O-N 2.83Å; K95-T98 VanDerWaalsContact O-CB 3.22Å; K95-T98 WeakPolarHBondContact O-CB 3.24Å; K95-T98 PolarHBondContact O-N 2.91Å; K95-T98 PolarHBondContact O-OG1 3.49Å | ||
| 96 | P | 94.5 | Very high | 94 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.6 | 177.9 | -27 | 35.2 | 0 | 0 | 0 | 114.4 | R5 P61 F62 T98 | R5-P96 VanDerWaalsContact CZ-O 3.25Å; R5-P96 PolarHBondContact NH1-O 2.82Å; R5-P96 PolarHBondContact NH2-O 2.87Å; P61-P96 HydrophobicContact CB-CB 4.19Å; P61-P96 HydrophobicContact CG-CB 4.2Å; P61-P96 VanDerWaalsContact O-CA 3.3Å; P61-P96 WeakPolarHBondContact O-CA 3.27Å; P61-P96 WeakPolarHBondContact O-CB 3.29Å; F62-P96 HydrophobicContact CD1-CG 4.28Å; P96-T98 VanDerWaalsContact C-N 3.31Å |
| 97 | C | 94.5 | Very high | 94.3 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.6 | 174.1 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | K95 K99 | K95-C97 PolarHBondContact O-N 2.83Å; C97-K99 PolarHBondContact O-N 2.94Å |
| 98 | T | 95.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | trans | -66.1 | 126.8 | 177.3 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | R5 I88 W94 K95 P96 Q102 V103 | R5-T98 PolarHBondContact NH2-O 3.34Å; I88-T98 HydrophobicContact CD1-CG2 3.74Å; I88-T98 HydrophobicContact CG1-CG2 3.93Å; W94-T98 HydrophobicContact CH2-CG2 4.28Å; W94-T98 HydrophobicContact CZ3-CG2 3.78Å; K95-T98 VanDerWaalsContact O-CB 3.22Å; K95-T98 WeakPolarHBondContact O-CB 3.24Å; K95-T98 PolarHBondContact O-N 2.91Å; K95-T98 PolarHBondContact O-OG1 3.49Å; P96-T98 VanDerWaalsContact C-N 3.31Å; T98-Q102 HydrophobicContact CG2-CB 4.38Å; T98-V103 HydrophobicContact CG2-CG2 3.97Å | ||
| 99 | K | 95 | Very high | 94.7 | Very high | 111 Ų | 111 | 59.4 Ų | 59.4 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | trans | -90.4 | 154 | 176.6 | -64.7 | -173.9 | 178.8 | -174.1 | 0 | 111.3 | C97 C101 Q102 V103 | C97-K99 PolarHBondContact O-N 2.94Å; K99-C101 VanDerWaalsContact CB-SG 3.58Å; K99-C101 PolarHBondContact O-N 2.91Å; K99-Q102 HydrophobicContact CB-CG 4.47Å; K99-Q102 WeakPolarHBondContact O-CB 3.35Å; K99-Q102 PolarHBondContact O-N 3.2Å; K99-V103 PolarHBondContact O-N 3.47Å | ||
| 100 | T | 95.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -33.3 | 178.6 | -46.2 | 0 | 0 | 0 | 0 | 112.2 | E9 W34 I54 F56 Q102 V103 L104 | E9-T100 VanDerWaalsContact OE2-CB 3.26Å; E9-T100 WeakPolarHBondContact OE2-CB 3.37Å; E9-T100 PolarHBondContact OE2-N 3.49Å; E9-T100 PolarHBondContact OE2-OG1 3.4Å; W34-T100 HydrophobicContact CE3-CG2 4.18Å; W34-T100 HydrophobicContact CH2-CG2 4.18Å; W34-T100 HydrophobicContact CZ3-CG2 3.58Å; I54-T100 HydrophobicContact CD1-CG2 4.31Å; F56-T100 HydrophobicContact CE1-CG2 4.21Å; F56-T100 WeakPolarHBondContact CE1-OG1 3.44Å; F56-T100 HydrophobicContact CZ-CG2 3.79Å; T100-Q102 VanDerWaalsContact C-N 3.28Å; T100-Q102 PolarHBondContact O-N 3.21Å; T100-V103 WeakPolarHBondContact O-CB 3.41Å; T100-V103 PolarHBondContact O-N 2.91Å; T100-V103 VanDerWaalsContact O-N 3.14Å; T100-L104 HydrophobicContact CG2-CD1 4.19Å; T100-L104 HydrophobicContact CG2-CG 4.45Å; T100-L104 WeakPolarHBondContact O-CG 3.47Å; T100-L104 PolarHBondContact O-N 3.43Å |
| 101 | C | 95 | Very high | 95 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 174.6 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | L13 K99 L104 E105 | L13-C101 HydrophobicContact CD2-CB 3.76Å; L13-C101 HydrophobicContact CG-CB 4.37Å; K99-C101 VanDerWaalsContact CB-SG 3.58Å; K99-C101 PolarHBondContact O-N 2.91Å; C101-L104 PolarHBondContact O-N 3.15Å; C101-E105 WeakPolarHBondContact O-CB 3.45Å; C101-E105 PolarHBondContact O-N 2.94Å |
| 102 | Q | 96.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70 | -35.4 | 177.6 | -58.3 | 175.3 | -81.5 | 0 | 0 | 111.2 | I88 T98 K99 T100 A106 | I88-Q102 HydrophobicContact CD1-CB 4.23Å; T98-Q102 HydrophobicContact CG2-CB 4.38Å; K99-Q102 HydrophobicContact CB-CG 4.47Å; K99-Q102 WeakPolarHBondContact O-CB 3.35Å; K99-Q102 PolarHBondContact O-N 3.2Å; T100-Q102 VanDerWaalsContact C-N 3.28Å; T100-Q102 PolarHBondContact O-N 3.21Å; Q102-A106 WeakPolarHBondContact O-CB 3.16Å; Q102-A106 PolarHBondContact O-N 2.8Å |
| 103 | V | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | I67 I88 I89 W94 T98 K99 T100 E105 A106 L107 | I67-V103 HydrophobicContact CD1-CG1 3.45Å; I67-V103 VanDerWaalsContact CD1-CG1 3.45Å; I88-V103 HydrophobicContact CG2-CG1 4.36Å; I88-V103 HydrophobicContact CG2-CG2 4.4Å; I89-V103 HydrophobicContact CG2-CB 4.33Å; I89-V103 HydrophobicContact CG2-CG1 3.54Å; I89-V103 HydrophobicContact CG2-CG2 3.76Å; W94-V103 HydrophobicContact CZ3-CG2 4.17Å; T98-V103 HydrophobicContact CG2-CG2 3.97Å; K99-V103 PolarHBondContact O-N 3.47Å; T100-V103 WeakPolarHBondContact O-CB 3.41Å; T100-V103 PolarHBondContact O-N 2.91Å; T100-V103 VanDerWaalsContact O-N 3.14Å; V103-E105 VanDerWaalsContact C-N 3.34Å; V103-A106 PolarHBondContact O-N 3.29Å; V103-L107 PolarHBondContact O-N 3.3Å |
| 104 | L | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 177.1 | -75 | 166.3 | 0 | 0 | 0 | 112.3 | L13 L21 L52 I54 T100 C101 L107 N108 | L13-L104 HydrophobicContact CD1-CD1 4Å; L21-L104 HydrophobicContact CD1-CD2 4.2Å; L21-L104 HydrophobicContact CD2-CD1 3.86Å; L52-L104 HydrophobicContact CD1-CD2 4.07Å; I54-L104 HydrophobicContact CD1-CD1 4.35Å; I54-L104 HydrophobicContact CD1-CD2 3.82Å; I54-L104 HydrophobicContact CD1-CG 4.31Å; T100-L104 HydrophobicContact CG2-CD1 4.19Å; T100-L104 HydrophobicContact CG2-CG 4.45Å; T100-L104 WeakPolarHBondContact O-CG 3.47Å; T100-L104 PolarHBondContact O-N 3.43Å; C101-L104 PolarHBondContact O-N 3.15Å; L104-L107 PolarHBondContact O-N 3.47Å; L104-N108 PolarHBondContact O-N 3.48Å |
| 105 | E | 96.3 | Very high | 95.2 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 172.7 | -176.8 | 171.7 | -149.2 | 0 | 0 | 111.3 | Y20 C101 V103 L107 N108 V109 | Y20-E105 WeakPolarHBondContact OH-CA 3.35Å; C101-E105 WeakPolarHBondContact O-CB 3.45Å; C101-E105 PolarHBondContact O-N 2.94Å; V103-E105 VanDerWaalsContact C-N 3.34Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.47Å; E105-N108 PolarHBondContact O-N 2.81Å; E105-V109 WeakPolarHBondContact O-CG2 3.46Å; E105-V109 PolarHBondContact O-N 3.49Å |
| 106 | A | 96.5 | Very high | 95 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L86 I88 Q102 V103 V109 L110 | L86-A106 HydrophobicContact CD2-CB 4.09Å; I88-A106 HydrophobicContact CG2-CB 3.86Å; Q102-A106 WeakPolarHBondContact O-CB 3.16Å; Q102-A106 PolarHBondContact O-N 2.8Å; V103-A106 PolarHBondContact O-N 3.29Å; A106-V109 PolarHBondContact O-N 3Å; A106-L110 WeakPolarHBondContact O-CB 3.46Å; A106-L110 PolarHBondContact O-N 3.37Å |
| 107 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 172.6 | 178.1 | 68 | 0 | 0 | 0 | 111.2 | L38 I67 F69 V84 L86 V103 L104 E105 V109 L110 V111 | L38-L107 HydrophobicContact CD2-CG 4.5Å; I67-L107 HydrophobicContact CD1-CD2 4.46Å; I67-L107 HydrophobicContact CG2-CD1 4.45Å; I67-L107 HydrophobicContact CG2-CD2 4.01Å; F69-L107 HydrophobicContact CE2-CD1 4.03Å; F69-L107 HydrophobicContact CZ-CD1 4.04Å; V84-L107 HydrophobicContact CB-CD1 4.45Å; V84-L107 HydrophobicContact CG1-CD1 3.95Å; V84-L107 HydrophobicContact CG2-CD1 4.11Å; L86-L107 HydrophobicContact CD1-CB 3.86Å; L86-L107 HydrophobicContact CD1-CD1 3.77Å; L86-L107 HydrophobicContact CD1-CG 4.39Å; V103-L107 PolarHBondContact O-N 3.3Å; L104-L107 PolarHBondContact O-N 3.47Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.47Å; L107-V109 VanDerWaalsContact C-N 3.32Å; L107-V109 PolarHBondContact O-N 3.32Å; L107-L110 PolarHBondContact O-N 3.42Å; L107-V111 HydrophobicContact CD1-CG2 4.19Å; L107-V111 HydrophobicContact CG-CG2 4.42Å; L107-V111 VanDerWaalsContact O-CG2 3.27Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 2.85Å |
| 108 | N | 96.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 178.6 | -178.3 | 71.4 | 0 | 0 | 0 | 111.5 | Y20 L38 L104 E105 V111 N112 | Y20-N108 VanDerWaalsContact CB-OD1 3.29Å; Y20-N108 WeakPolarHBondContact CB-OD1 3.42Å; Y20-N108 HydrophobicContact CD1-CB 4.34Å; Y20-N108 HydrophobicContact CD2-CB 3.8Å; Y20-N108 HydrophobicContact CE1-CB 4.46Å; Y20-N108 HydrophobicContact CE2-CB 3.95Å; Y20-N108 HydrophobicContact CG-CB 4.02Å; L38-N108 HydrophobicContact CD1-CB 4.28Å; L104-N108 PolarHBondContact O-N 3.48Å; E105-N108 PolarHBondContact O-N 2.81Å; N108-V111 PolarHBondContact O-N 3.37Å; N108-N112 PolarHBondContact ND2-ND2 2.79Å; N108-N112 PolarHBondContact O-N 3.11Å; N108-N112 VanDerWaalsContact O-N 3.15Å; N108-N112 PolarHBondContact O-ND2 2.89Å; N108-N112 PolarHBondContact OD1-ND2 3.37Å |
| 109 | V | 95.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | E105 A106 L107 V111 N112 R113 | E105-V109 WeakPolarHBondContact O-CG2 3.46Å; E105-V109 PolarHBondContact O-N 3.49Å; A106-V109 PolarHBondContact O-N 3Å; L107-V109 VanDerWaalsContact C-N 3.32Å; L107-V109 PolarHBondContact O-N 3.32Å; V109-V111 PolarHBondContact O-N 3.02Å; V109-N112 PolarHBondContact O-N 3.24Å; V109-R113 WeakPolarHBondContact O-CB 3.2Å; V109-R113 PolarHBondContact O-N 3.01Å |
| 110 | L | 95.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | -179.3 | -176.5 | 67.1 | 0 | 0 | 0 | 112.2 | H75 N77 V84 L86 A106 L107 N112 R113 N115 | H75-L110 PolarHBondContact CE1-O 2.77Å; H75-L110 PolarHBondContact NE2-O 3.14Å; H75-L110 VanDerWaalsContact NE2-O 3.14Å; N77-L110 HydrophobicContact CB-CD1 4.1Å; N77-L110 HydrophobicContact CB-CD2 3.88Å; N77-L110 HydrophobicContact CB-CG 4.12Å; V84-L110 HydrophobicContact CG1-CD2 3.73Å; L86-L110 HydrophobicContact CD2-CB 4.18Å; L86-L110 HydrophobicContact CD2-CD2 3.73Å; L86-L110 HydrophobicContact CG-CD2 3.91Å; A106-L110 WeakPolarHBondContact O-CB 3.46Å; A106-L110 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.42Å; L110-N112 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3.49Å; L110-R113 CarbonylContact O-C 3.57Å; L110-R113 PolarHBondContact O-N 2.99Å; L110-R113 VanDerWaalsContact O-O 3.07Å; L110-N115 HydrophobicContact CD1-CB 3.87Å |
| 111 | V | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 179.4 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L38 P40 Y45 F69 I73 H75 L107 N108 V109 | L38-V111 HydrophobicContact CD2-CB 4.21Å; L38-V111 HydrophobicContact CD2-CG1 4.17Å; L38-V111 HydrophobicContact CD2-CG2 3.8Å; P40-V111 HydrophobicContact CB-CG1 4.06Å; P40-V111 HydrophobicContact CG-CG1 3.68Å; Y45-V111 HydrophobicContact CD2-CG1 4.11Å; Y45-V111 VanDerWaalsContact CD2-O 3.32Å; Y45-V111 WeakPolarHBondContact CD2-O 3.46Å; Y45-V111 VanDerWaalsContact CE2-O 3.24Å; Y45-V111 WeakPolarHBondContact CE2-O 3.49Å; Y45-V111 HydrophobicContact CG-CG1 4.45Å; F69-V111 HydrophobicContact CE2-CG2 4.44Å; F69-V111 HydrophobicContact CZ-CG2 3.79Å; I73-V111 HydrophobicContact CD1-CG1 4.32Å; H75-V111 WeakPolarHBondContact NE2-CA 3.17Å; H75-V111 PolarHBondContact NE2-O 3.41Å; L107-V111 HydrophobicContact CD1-CG2 4.19Å; L107-V111 HydrophobicContact CG-CG2 4.42Å; L107-V111 VanDerWaalsContact O-CG2 3.27Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 2.85Å; N108-V111 PolarHBondContact O-N 3.37Å; V109-V111 PolarHBondContact O-N 3.02Å |
| 112 | N | 93.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.9 | -22 | 176.9 | -72.7 | -63 | 0 | 0 | 0 | 113.3 | D41 Q42 N108 V109 L110 | D41-N112 PolarHBondContact N-OD1 2.74Å; D41-N112 PolarHBondContact OD1-ND2 3.45Å; D41-N112 PolarHBondContact OD1-OD1 3.1Å; D41-N112 VanDerWaalsContact OD1-OD1 3.06Å; Q42-N112 HydrophobicContact CB-CB 4.17Å; Q42-N112 VanDerWaalsContact CB-OD1 3.26Å; Q42-N112 WeakPolarHBondContact CB-OD1 3.44Å; Q42-N112 HydrophobicContact CG-CB 3.86Å; Q42-N112 WeakPolarHBondContact CG-OD1 3.43Å; Q42-N112 PolarHBondContact N-OD1 2.9Å; N108-N112 PolarHBondContact ND2-ND2 2.79Å; N108-N112 PolarHBondContact O-N 3.11Å; N108-N112 VanDerWaalsContact O-N 3.15Å; N108-N112 PolarHBondContact O-ND2 2.89Å; N108-N112 PolarHBondContact OD1-ND2 3.37Å; V109-N112 PolarHBondContact O-N 3.24Å; L110-N112 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3.49Å |
| 113 | R | 92.9 | Very high | 94.3 | Very high | 197 Ų | 197 | 62.2 Ų | 62.2 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -138.1 | 89.1 | -179.1 | -64.7 | -173.7 | -177.9 | 177.2 | 1.2 | 109.7 | V109 L110 | V109-R113 WeakPolarHBondContact O-CB 3.2Å; V109-R113 PolarHBondContact O-N 3.01Å; L110-R113 CarbonylContact O-C 3.57Å; L110-R113 PolarHBondContact O-N 2.99Å; L110-R113 VanDerWaalsContact O-O 3.07Å |
| 114 | P | 92.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 62.3 Ų | 62.3 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | trans | -59.8 | 139.9 | -178.5 | -20.1 | 29.4 | 0 | 0 | 0 | 112.4 | P76 N77 L128 | P76-P114 HydrophobicContact CG-CB 3.54Å; P76-P114 HydrophobicContact CG-CG 4.33Å; N77-P114 WeakPolarHBondContact OD1-CA 3.38Å; P114-L128 HydrophobicContact CB-CD2 3.92Å; P114-L128 HydrophobicContact CG-CD2 4.02Å | ||
| 115 | N | 91.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | trans | -92.6 | 101.3 | 175 | 179.8 | 10.7 | 0 | 0 | 0 | 110.4 | N77 L110 R117 | N77-N115 PolarHBondContact ND2-O 2.77Å; N77-N115 PolarHBondContact OD1-N 3.16Å; L110-N115 HydrophobicContact CD1-CB 3.87Å; N115-R117 VanDerWaalsContact C-N 3.27Å; N115-R117 PolarHBondContact O-N 2.93Å; N115-R117 WeakPolarHBondContact OD1-CB 3.44Å; N115-R117 PolarHBondContact OD1-N 3.4Å | ||
| 116 | I | 91.5 | Very high | 94.3 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -10.3 | 179.2 | 60.9 | 173.9 | 0 | 0 | 0 | 114.4 | L128 | I116-L128 HydrophobicContact CG2-CD2 3.95Š|
| 117 | R | 89.3 | Confident | 94.3 | Very high | 222 Ų | 222 | 61.5 Ų | 61.5 | 84% | 0.838 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -32.6 | -179.7 | -63.1 | -176.7 | 177.3 | -178.4 | -1.2 | 112.8 | N115 P119 | N115-R117 VanDerWaalsContact C-N 3.27Å; N115-R117 PolarHBondContact O-N 2.93Å; N115-R117 WeakPolarHBondContact OD1-CB 3.44Å; N115-R117 PolarHBondContact OD1-N 3.4Å; R117-P119 VanDerWaalsContact C-CD 3.47Å |
| 118 | E | 88.4 | Confident | 94.2 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -132.5 | 64.4 | -178.7 | -64 | 176.9 | 165.7 | 0 | 0 | 109.9 | N77 | N77-E118 PolarHBondContact ND2-O 2.99Å; N77-E118 VanDerWaalsContact ND2-O 3.11Å |
| 119 | P | 92.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | trans | -77 | 148.6 | 178.1 | 34.4 | -34.8 | 0 | 0 | 0 | 111 | P76 R117 V122 A125 | P76-P119 HydrophobicContact CB-CB 4.34Å; R117-P119 VanDerWaalsContact C-CD 3.47Å; P119-V122 HydrophobicContact CG-CG2 4.26Å; P119-A125 HydrophobicContact CB-CB 3.59Å; P119-A125 HydrophobicContact CG-CB 3.75Å | ||
| 120 | L | 94.5 | Very high | 94.2 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 40% | 0.398 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -84.1 | -30.5 | 166.1 | -71.5 | -177.5 | 0 | 0 | 0 | 111.3 | P76 N77 D79 Y83 C85 | P76-L120 PolarHBondContact O-N 3.46Å; N77-L120 WeakPolarHBondContact O-CD1 3.4Å; D79-L120 HydrophobicContact CB-CB 4.49Å; D79-L120 HydrophobicContact CB-CD1 4.18Å; Y83-L120 WeakPolarHBondContact O-CD1 3.38Å; C85-L120 HydrophobicContact CB-CD1 3.89Å; C85-L120 HydrophobicContact CB-CD2 3.9Å; C85-L120 HydrophobicContact CB-CG 3.85Å |
| 121 | R | 95.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 73.4 Ų | 73.4 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | trans | -116 | 98.4 | 175 | -77.7 | -168.3 | -72.4 | -174.8 | -9.7 | 109.6 | I73 H75 P76 V78 D123 L124 A125 | I73-R121 PolarHBondContact O-NH2 2.94Å; H75-R121 PolarHBondContact O-NE 3.14Å; H75-R121 PolarHBondContact O-NH2 2.95Å; P76-R121 PolarHBondContact O-N 3.28Å; V78-R121 PolarHBondContact O-NE 2.91Å; V78-R121 PolarHBondContact O-NH2 3.41Å; V78-R121 VanDerWaalsContact O-NH2 3.09Å; R121-D123 WeakPolarHBondContact CB-OD1 3.31Å; R121-L124 HydrophobicContact CB-CB 4.1Å; R121-L124 HydrophobicContact CB-CD1 4.25Å; R121-L124 HydrophobicContact CB-CG 3.94Å; R121-L124 PolarHBondContact O-N 2.87Å; R121-A125 PolarHBondContact O-N 3.34Å | ||
| 122 | V | 95.7 | Very high | 94.2 | Very high | 82 Ų | 82 | 76.5 Ų | 76.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -175.5 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | P119 L124 A125 D126 | P119-V122 HydrophobicContact CG-CG2 4.26Å; V122-L124 VanDerWaalsContact C-N 3.27Å; V122-L124 PolarHBondContact O-N 3.43Å; V122-A125 WeakPolarHBondContact O-CB 3.37Å; V122-A125 PolarHBondContact O-N 2.98Å; V122-D126 VanDerWaalsContact O-CG 3.28Å; V122-D126 PolarHBondContact O-N 3.04Å |
| 123 | D | 95.8 | Very high | 94.4 | Very high | 100 Ų | 100 | 81.2 Ų | 81.2 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.2 | -42.2 | 174.3 | 62.6 | -48.3 | 0 | 0 | 0 | 112.8 | R121 L127 | R121-D123 WeakPolarHBondContact CB-OD1 3.31Å; D123-L127 WeakPolarHBondContact O-CB 3.42Å; D123-L127 PolarHBondContact O-N 3.41Å |
| 124 | L | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.8 | -34.7 | 177.2 | -65.3 | -159.2 | 0 | 0 | 0 | 112.9 | Y74 P76 R121 V122 L128 F135 | Y74-L124 HydrophobicContact CD1-CD1 4.01Å; Y74-L124 HydrophobicContact CD1-CD2 4.38Å; Y74-L124 HydrophobicContact CD2-CD1 4.33Å; Y74-L124 HydrophobicContact CE1-CD1 3.98Å; Y74-L124 HydrophobicContact CE1-CD2 3.53Å; Y74-L124 HydrophobicContact CE1-CG 4.37Å; Y74-L124 HydrophobicContact CE2-CD1 4.29Å; Y74-L124 HydrophobicContact CE2-CD2 3.74Å; Y74-L124 HydrophobicContact CG-CD1 4.21Å; Y74-L124 WeakPolarHBondContact OH-CD2 3.35Å; P76-L124 HydrophobicContact CB-CB 3.92Å; R121-L124 HydrophobicContact CB-CB 4.1Å; R121-L124 HydrophobicContact CB-CD1 4.25Å; R121-L124 HydrophobicContact CB-CG 3.94Å; R121-L124 PolarHBondContact O-N 2.87Å; V122-L124 VanDerWaalsContact C-N 3.27Å; V122-L124 PolarHBondContact O-N 3.43Å; L124-L128 VanDerWaalsContact O-CB 3.28Å; L124-L128 WeakPolarHBondContact O-CB 3.34Å; L124-L128 PolarHBondContact O-N 3.3Å; L124-F135 HydrophobicContact CB-CE2 4.23Å |
| 125 | A | 96 | Very high | 94.8 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P76 P119 R121 V122 L128 T129 | P76-A125 HydrophobicContact CB-CB 4.11Å; P119-A125 HydrophobicContact CB-CB 3.59Å; P119-A125 HydrophobicContact CG-CB 3.75Å; R121-A125 PolarHBondContact O-N 3.34Å; V122-A125 WeakPolarHBondContact O-CB 3.37Å; V122-A125 PolarHBondContact O-N 2.98Å; A125-L128 PolarHBondContact O-N 3.19Å; A125-T129 WeakPolarHBondContact O-CB 3.24Å; A125-T129 PolarHBondContact O-N 2.87Å; A125-T129 PolarHBondContact O-OG1 3.24Å |
| 126 | D | 96.6 | Very high | 95 | Very high | 84 Ų | 84 | 75.7 Ų | 75.7 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -49 | 174.1 | -67 | -16.3 | 0 | 0 | 0 | 109.7 | V122 L128 T129 E130 | V122-D126 VanDerWaalsContact O-CG 3.28Å; V122-D126 PolarHBondContact O-N 3.04Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 3.25Å; D126-T129 WeakPolarHBondContact O-CB 3.29Å; D126-T129 PolarHBondContact O-N 2.8Å; D126-E130 WeakPolarHBondContact O-CB 3.39Å; D126-E130 WeakPolarHBondContact O-CG 3.5Å; D126-E130 PolarHBondContact O-N 3.04Å |
| 127 | L | 96.7 | Very high | 95.3 | Very high | 35 Ų | 35 | 77.2 Ų | 77.2 | 18% | 0.183 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 176.7 | -177.8 | 63.8 | 0 | 0 | 0 | 112.5 | D123 T129 N131 L134 F135 | D123-L127 WeakPolarHBondContact O-CB 3.42Å; D123-L127 PolarHBondContact O-N 3.41Å; L127-T129 PolarHBondContact O-N 2.66Å; L127-N131 HydrophobicContact CD1-CB 4.36Å; L127-N131 CarbonylContact O-C 3.43Å; L127-N131 WeakPolarHBondContact O-CA 3.23Å; L127-N131 PolarHBondContact O-N 2.73Å; L127-L134 HydrophobicContact CD1-CB 4.41Å; L127-L134 HydrophobicContact CD1-CD2 3.94Å; L127-L134 HydrophobicContact CD1-CG 4.19Å; L127-F135 HydrophobicContact CD2-CB 4.34Å; L127-F135 HydrophobicContact CD2-CD2 4.41Å; L127-F135 HydrophobicContact CG-CB 4.12Å |
| 128 | L | 95.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -33 | 175.9 | 176.5 | 61.5 | 0 | 0 | 0 | 112 | P76 P114 I116 L124 A125 D126 P132 F135 | P76-L128 HydrophobicContact CG-CD2 4.46Å; P114-L128 HydrophobicContact CB-CD2 3.92Å; P114-L128 HydrophobicContact CG-CD2 4.02Å; I116-L128 HydrophobicContact CG2-CD2 3.95Å; L124-L128 VanDerWaalsContact O-CB 3.28Å; L124-L128 WeakPolarHBondContact O-CB 3.34Å; L124-L128 PolarHBondContact O-N 3.3Å; A125-L128 PolarHBondContact O-N 3.19Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 3.25Å; L128-P132 WeakPolarHBondContact O-CG 3.4Å; L128-F135 HydrophobicContact CB-CB 4.46Å; L128-F135 HydrophobicContact CB-CD1 4.46Å; L128-F135 HydrophobicContact CB-CD2 3.97Å; L128-F135 HydrophobicContact CB-CE2 4.38Å; L128-F135 HydrophobicContact CB-CG 4.03Å; L128-F135 HydrophobicContact CD1-CB 4.37Å; L128-F135 HydrophobicContact CD1-CD1 3.61Å; L128-F135 HydrophobicContact CD1-CE1 4.05Å; L128-F135 HydrophobicContact CD1-CG 3.94Å |
| 129 | T | 95.4 | Very high | 96.1 | Very high | 89 Ų | 89 | 63.5 Ų | 63.5 | 55% | 0.546 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -80.1 | -43.6 | -179.8 | -55 | 0 | 0 | 0 | 0 | 111.6 | A125 D126 L127 | A125-T129 WeakPolarHBondContact O-CB 3.24Å; A125-T129 PolarHBondContact O-N 2.87Å; A125-T129 PolarHBondContact O-OG1 3.24Å; D126-T129 WeakPolarHBondContact O-CB 3.29Å; D126-T129 PolarHBondContact O-N 2.8Å; L127-T129 PolarHBondContact O-N 2.66Å |
| 130 | E | 96.7 | Very high | 96.3 | Very high | 164 Ų | 164 | 64.9 Ų | 64.9 | 77% | 0.766 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -79.2 | -42.9 | -176.6 | -67.8 | -177.2 | 172.2 | 0 | 0 | 112.9 | D126 | D126-E130 WeakPolarHBondContact O-CB 3.39Å; D126-E130 WeakPolarHBondContact O-CG 3.5Å; D126-E130 PolarHBondContact O-N 3.04Å |
| 131 | N | 96.7 | Very high | 96.5 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | trans | -143.6 | 79.7 | -176.8 | -166.1 | -20.6 | 0 | 0 | 0 | 111.9 | L127 E133 L134 F135 | L127-N131 HydrophobicContact CD1-CB 4.36Å; L127-N131 CarbonylContact O-C 3.43Å; L127-N131 WeakPolarHBondContact O-CA 3.23Å; L127-N131 PolarHBondContact O-N 2.73Å; N131-E133 PolarHBondContact O-N 3.5Å; N131-L134 HydrophobicContact CB-CB 4.07Å; N131-L134 VanDerWaalsContact CG-CB 3.46Å; N131-L134 PolarHBondContact O-N 2.89Å; N131-L134 PolarHBondContact OD1-N 3.23Å; N131-L134 VanDerWaalsContact OD1-N 3.09Å; N131-F135 PolarHBondContact O-N 3.2Å | ||
| 132 | P | 94.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 67.1 Ų | 67.1 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.9 | -34.1 | -179.3 | -21.3 | 28.1 | 0 | 0 | 0 | 113.8 | L128 F135 R136 | L128-P132 WeakPolarHBondContact O-CG 3.4Å; P132-F135 PolarHBondContact O-N 3.02Å; P132-R136 VanDerWaalsContact O-CB 3.27Å; P132-R136 WeakPolarHBondContact O-CB 3.46Å; P132-R136 PolarHBondContact O-N 2.93Å |
| 133 | E | 96.4 | Very high | 96.7 | Very high | 120 Ų | 120 | 63.2 Ų | 63.2 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70 | -41.7 | -179.9 | -69 | -55.7 | 146.8 | 0 | 0 | 112.2 | N131 R136 K137 | N131-E133 PolarHBondContact O-N 3.5Å; E133-R136 PolarHBondContact O-N 3.12Å; E133-R136 IonicContact OE2-CZ 2.65Å; E133-R136 IonicContact OE2-NE 2.75Å; E133-R136 PolarHBondContact OE2-NE 3.33Å; E133-R136 IonicContact OE2-NH2 3.92Å; E133-K137 WeakPolarHBondContact O-CB 3.26Å; E133-K137 PolarHBondContact O-N 2.7Å |
| 134 | L | 96.9 | Very high | 96.7 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 174.4 | -178.5 | 57.6 | 0 | 0 | 0 | 111 | L127 N131 R136 K137 N138 | L127-L134 HydrophobicContact CD1-CB 4.41Å; L127-L134 HydrophobicContact CD1-CD2 3.94Å; L127-L134 HydrophobicContact CD1-CG 4.19Å; N131-L134 HydrophobicContact CB-CB 4.07Å; N131-L134 VanDerWaalsContact CG-CB 3.46Å; N131-L134 PolarHBondContact O-N 2.89Å; N131-L134 PolarHBondContact OD1-N 3.23Å; N131-L134 VanDerWaalsContact OD1-N 3.09Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.17Å; L134-K137 PolarHBondContact O-N 2.75Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 VanDerWaalsContact O-CG 3.27Å; L134-N138 PolarHBondContact O-N 3.45Å; L134-N138 PolarHBondContact O-OD1 3.34Å |
| 135 | F | 97.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.5 | -50.6 | 172.2 | 176.6 | -89.3 | 0 | 0 | 0 | 110.9 | Y74 L124 L127 L128 N131 P132 K137 N138 A139 | Y74-F135 AromaticContact CD1-CE2 3.98Å; Y74-F135 HydrophobicContact CD1-CE2 3.98Å; Y74-F135 HydrophobicContact CD1-CZ 4.31Å; Y74-F135 AromaticContact CE1-CD2 3.98Å; Y74-F135 HydrophobicContact CE1-CD2 3.98Å; Y74-F135 AromaticContact CE1-CE2 3.78Å; Y74-F135 HydrophobicContact CE1-CE2 3.78Å; L124-F135 HydrophobicContact CB-CE2 4.23Å; L127-F135 HydrophobicContact CD2-CB 4.34Å; L127-F135 HydrophobicContact CD2-CD2 4.41Å; L127-F135 HydrophobicContact CG-CB 4.12Å; L128-F135 HydrophobicContact CB-CB 4.46Å; L128-F135 HydrophobicContact CB-CD1 4.46Å; L128-F135 HydrophobicContact CB-CD2 3.97Å; L128-F135 HydrophobicContact CB-CE2 4.38Å; L128-F135 HydrophobicContact CB-CG 4.03Å; L128-F135 HydrophobicContact CD1-CB 4.37Å; L128-F135 HydrophobicContact CD1-CD1 3.61Å; L128-F135 HydrophobicContact CD1-CE1 4.05Å; L128-F135 HydrophobicContact CD1-CG 3.94Å; N131-F135 PolarHBondContact O-N 3.2Å; P132-F135 PolarHBondContact O-N 3.02Å; F135-K137 PolarHBondContact O-N 2.88Å; F135-N138 PolarHBondContact O-N 2.75Å; F135-A139 HydrophobicContact CD1-CB 4.5Å; F135-A139 HydrophobicContact CE1-CB 4.14Å; F135-A139 HydrophobicContact CZ-CB 4.4Å; F135-A139 VanDerWaalsContact O-CB 3.22Å; F135-A139 WeakPolarHBondContact O-CB 3.2Å; F135-A139 PolarHBondContact O-N 3.26Å |
| 136 | R | 95.5 | Very high | 96.8 | Very high | 91 Ų | 91 | 73.2 Ų | 73.2 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | -178.3 | -169.3 | -172.2 | 68.3 | 70.6 | 3.2 | 111.1 | P44 P132 E133 L134 A139 E140 | P44-R136 HydrophobicContact CB-CG 4.14Å; P132-R136 VanDerWaalsContact O-CB 3.27Å; P132-R136 WeakPolarHBondContact O-CB 3.46Å; P132-R136 PolarHBondContact O-N 2.93Å; E133-R136 PolarHBondContact O-N 3.12Å; E133-R136 IonicContact OE2-CZ 2.65Å; E133-R136 IonicContact OE2-NE 2.75Å; E133-R136 PolarHBondContact OE2-NE 3.33Å; E133-R136 IonicContact OE2-NH2 3.92Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.17Å; R136-A139 PolarHBondContact O-N 3.06Å; R136-E140 IonicContact CZ-OE2 3.95Å; R136-E140 IonicContact NH1-OE2 2.8Å; R136-E140 PolarHBondContact NH1-OE2 3.45Å; R136-E140 WeakPolarHBondContact O-CB 3.4Å; R136-E140 PolarHBondContact O-N 3.33Å |
| 137 | K | 97.6 | Very high | 96.8 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60 | -49.9 | 177.4 | -175.9 | -177.9 | 173.2 | -175.1 | 0 | 111.8 | E133 L134 F135 A139 E140 E141 | E133-K137 WeakPolarHBondContact O-CB 3.26Å; E133-K137 PolarHBondContact O-N 2.7Å; L134-K137 PolarHBondContact O-N 2.75Å; F135-K137 PolarHBondContact O-N 2.88Å; K137-A139 VanDerWaalsContact C-N 3.35Å; K137-A139 PolarHBondContact O-N 3.46Å; K137-E140 WeakPolarHBondContact O-CB 3.48Å; K137-E140 PolarHBondContact O-N 3.41Å; K137-E141 WeakPolarHBondContact CE-OE1 3.29Å; K137-E141 WeakPolarHBondContact O-CG 3.16Å; K137-E141 PolarHBondContact O-N 2.96Å |
| 138 | N | 97.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 179.9 | -68.4 | -2.4 | 0 | 0 | 0 | 111.4 | Y74 L134 F135 E140 E141 F142 | Y74-N138 HydrophobicContact CE1-CB 4.19Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 VanDerWaalsContact O-CG 3.27Å; L134-N138 PolarHBondContact O-N 3.45Å; L134-N138 PolarHBondContact O-OD1 3.34Å; F135-N138 PolarHBondContact O-N 2.75Å; N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.13Å; N138-E141 PolarHBondContact O-N 2.77Å; N138-F142 VanDerWaalsContact O-CB 3.24Å; N138-F142 WeakPolarHBondContact O-CB 3.23Å; N138-F142 PolarHBondContact O-N 3.01Å |
| 139 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P44 Y45 Y74 F135 R136 K137 T143 | P44-A139 HydrophobicContact CB-CB 3.87Å; P44-A139 HydrophobicContact CG-CB 3.33Å; Y45-A139 HydrophobicContact CE1-CB 4.42Å; Y74-A139 HydrophobicContact CD1-CB 3.76Å; Y74-A139 HydrophobicContact CG-CB 4.49Å; F135-A139 HydrophobicContact CD1-CB 4.5Å; F135-A139 HydrophobicContact CE1-CB 4.14Å; F135-A139 HydrophobicContact CZ-CB 4.4Å; F135-A139 VanDerWaalsContact O-CB 3.22Å; F135-A139 WeakPolarHBondContact O-CB 3.2Å; F135-A139 PolarHBondContact O-N 3.26Å; R136-A139 PolarHBondContact O-N 3.06Å; K137-A139 VanDerWaalsContact C-N 3.35Å; K137-A139 PolarHBondContact O-N 3.46Å; A139-T143 WeakPolarHBondContact O-CB 3.42Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 PolarHBondContact O-OG1 2.88Å |
| 140 | E | 97.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.2 | -51 | 175 | -166.8 | -178.6 | 133 | 0 | 0 | 111.1 | P44 L47 R136 K137 N138 F142 T143 L144 | P44-E140 HydrophobicContact CB-CB 4.21Å; L47-E140 HydrophobicContact CD1-CG 3.37Å; R136-E140 IonicContact CZ-OE2 3.95Å; R136-E140 IonicContact NH1-OE2 2.8Å; R136-E140 PolarHBondContact NH1-OE2 3.45Å; R136-E140 WeakPolarHBondContact O-CB 3.4Å; R136-E140 PolarHBondContact O-N 3.33Å; K137-E140 WeakPolarHBondContact O-CB 3.48Å; K137-E140 PolarHBondContact O-N 3.41Å; N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.13Å; E140-F142 VanDerWaalsContact C-N 3.32Å; E140-F142 PolarHBondContact O-N 3.45Å; E140-T143 WeakPolarHBondContact O-CB 3.46Å; E140-T143 PolarHBondContact O-N 3.03Å; E140-L144 WeakPolarHBondContact O-CG 3.31Å; E140-L144 PolarHBondContact O-N 3.12Å |
| 141 | E | 97.9 | Very high | 96 | Very high | 108 Ų | 108 | 69 Ų | 69 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 176 | -72.4 | 176.6 | -170.5 | 0 | 0 | 111.1 | K137 N138 T143 L144 Q145 | K137-E141 WeakPolarHBondContact CE-OE1 3.29Å; K137-E141 WeakPolarHBondContact O-CG 3.16Å; K137-E141 PolarHBondContact O-N 2.96Å; N138-E141 PolarHBondContact O-N 2.77Å; E141-T143 PolarHBondContact O-N 2.78Å; E141-L144 PolarHBondContact O-N 3.3Å; E141-Q145 WeakPolarHBondContact O-CB 3.42Å; E141-Q145 PolarHBondContact O-N 3.09Å |
| 142 | F | 97.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 74.4 Ų | 74.4 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.1 | -164.2 | -82.2 | 0 | 0 | 0 | 112.1 | K72 Y74 N138 E140 Q145 Y146 | K72-F142 HydrophobicContact CB-CE1 3.73Å; K72-F142 HydrophobicContact CB-CZ 3.9Å; K72-F142 HydrophobicContact CD-CZ 4.42Å; Y74-F142 HydrophobicContact CD2-CB 4.46Å; Y74-F142 HydrophobicContact CD2-CD2 4.01Å; Y74-F142 HydrophobicContact CD2-CE2 4.44Å; Y74-F142 HydrophobicContact CD2-CG 4.18Å; Y74-F142 HydrophobicContact CG-CB 4.34Å; Y74-F142 HydrophobicContact CG-CG 4.31Å; N138-F142 VanDerWaalsContact O-CB 3.24Å; N138-F142 WeakPolarHBondContact O-CB 3.23Å; N138-F142 PolarHBondContact O-N 3.01Å; E140-F142 VanDerWaalsContact C-N 3.32Å; E140-F142 PolarHBondContact O-N 3.45Å; F142-Q145 PolarHBondContact O-N 3.24Å; F142-Y146 AromaticContact CD1-CD2 3.65Å; F142-Y146 HydrophobicContact CD1-CD2 3.65Å; F142-Y146 HydrophobicContact CD1-CE2 4.4Å; F142-Y146 HydrophobicContact CD1-CG 4.5Å; F142-Y146 AromaticContact CD2-CD2 3.75Å; F142-Y146 HydrophobicContact CD2-CD2 3.75Å; F142-Y146 AromaticContact CD2-CE2 3.65Å; F142-Y146 HydrophobicContact CD2-CE2 3.65Å; F142-Y146 AromaticContact CE1-CD2 3.52Å; F142-Y146 HydrophobicContact CE1-CD2 3.52Å; F142-Y146 HydrophobicContact CE1-CE2 4.21Å; F142-Y146 HydrophobicContact CE1-CG 4.14Å; F142-Y146 AromaticContact CE2-CD2 3.62Å; F142-Y146 HydrophobicContact CE2-CD2 3.62Å; F142-Y146 AromaticContact CE2-CE2 3.43Å; F142-Y146 HydrophobicContact CE2-CE2 3.43Å; F142-Y146 VanDerWaalsContact CE2-CE2 3.43Å; F142-Y146 AromaticContact CG-CD2 3.77Å; F142-Y146 HydrophobicContact CG-CD2 3.77Å; F142-Y146 HydrophobicContact CG-CE2 4.14Å; F142-Y146 AromaticContact CZ-CD2 3.51Å; F142-Y146 HydrophobicContact CZ-CD2 3.51Å; F142-Y146 AromaticContact CZ-CE2 3.74Å; F142-Y146 HydrophobicContact CZ-CE2 3.74Å; F142-Y146 HydrophobicContact CZ-CG 4.27Å; F142-Y146 WeakPolarHBondContact O-CD2 3.43Å; F142-Y146 PolarHBondContact O-N 3.29Å |
| 143 | T | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 176.1 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | L47 K48 F50 A139 E140 E141 Q145 G147 | L47-T143 HydrophobicContact CB-CG2 4.33Å; K48-T143 HydrophobicContact CB-CG2 3.69Å; K48-T143 HydrophobicContact CG-CG2 3.89Å; K48-T143 VanDerWaalsContact CG-O 3.32Å; K48-T143 WeakPolarHBondContact CG-O 3.38Å; F50-T143 HydrophobicContact CE2-CG2 4.49Å; F50-T143 HydrophobicContact CZ-CG2 3.87Å; A139-T143 WeakPolarHBondContact O-CB 3.42Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 PolarHBondContact O-OG1 2.88Å; E140-T143 WeakPolarHBondContact O-CB 3.46Å; E140-T143 PolarHBondContact O-N 3.03Å; E141-T143 PolarHBondContact O-N 2.78Å; T143-Q145 VanDerWaalsContact C-N 3.31Å; T143-Q145 PolarHBondContact O-N 3.18Å; T143-G147 WeakPolarHBondContact O-CA 3.34Å; T143-G147 PolarHBondContact O-N 3.09Å |
| 144 | L | 97.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 72.4 Ų | 72.4 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 178.4 | -70.2 | 173.7 | 0 | 0 | 0 | 112.9 | L47 E140 E141 | L47-L144 HydrophobicContact CB-CD2 3.99Å; L47-L144 HydrophobicContact CD1-CD1 4.26Å; L47-L144 HydrophobicContact CD1-CD2 3.98Å; L47-L144 HydrophobicContact CD1-CG 4.07Å; E140-L144 WeakPolarHBondContact O-CG 3.31Å; E140-L144 PolarHBondContact O-N 3.12Å; E141-L144 PolarHBondContact O-N 3.3Å |
| 145 | Q | 97.5 | Very high | 94.4 | Very high | 133 Ų | 133 | 72.4 Ų | 72.4 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75.1 | -41.6 | -178.4 | -174.5 | 177.6 | 10.3 | 0 | 0 | 113.5 | E141 F142 T143 | E141-Q145 WeakPolarHBondContact O-CB 3.42Å; E141-Q145 PolarHBondContact O-N 3.09Å; F142-Q145 PolarHBondContact O-N 3.24Å; T143-Q145 VanDerWaalsContact C-N 3.31Å; T143-Q145 PolarHBondContact O-N 3.18Å |
| 146 | Y | 96.8 | Very high | 94.3 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 37% | 0.365 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -115.6 | -17.3 | -170.9 | -60.8 | -73.9 | 0 | 0 | 0 | 114.6 | T71 K72 F142 | T71-Y146 WeakPolarHBondContact CG2-O 3.31Å; K72-Y146 HydrophobicContact CB-CG 4.29Å; K72-Y146 HydrophobicContact CD-CD1 4.08Å; K72-Y146 HydrophobicContact CD-CE1 4.3Å; K72-Y146 HydrophobicContact CD-CG 4.41Å; F142-Y146 AromaticContact CD1-CD2 3.65Å; F142-Y146 HydrophobicContact CD1-CD2 3.65Å; F142-Y146 HydrophobicContact CD1-CE2 4.4Å; F142-Y146 HydrophobicContact CD1-CG 4.5Å; F142-Y146 AromaticContact CD2-CD2 3.75Å; F142-Y146 HydrophobicContact CD2-CD2 3.75Å; F142-Y146 AromaticContact CD2-CE2 3.65Å; F142-Y146 HydrophobicContact CD2-CE2 3.65Å; F142-Y146 AromaticContact CE1-CD2 3.52Å; F142-Y146 HydrophobicContact CE1-CD2 3.52Å; F142-Y146 HydrophobicContact CE1-CE2 4.21Å; F142-Y146 HydrophobicContact CE1-CG 4.14Å; F142-Y146 AromaticContact CE2-CD2 3.62Å; F142-Y146 HydrophobicContact CE2-CD2 3.62Å; F142-Y146 AromaticContact CE2-CE2 3.43Å; F142-Y146 HydrophobicContact CE2-CE2 3.43Å; F142-Y146 VanDerWaalsContact CE2-CE2 3.43Å; F142-Y146 AromaticContact CG-CD2 3.77Å; F142-Y146 HydrophobicContact CG-CD2 3.77Å; F142-Y146 HydrophobicContact CG-CE2 4.14Å; F142-Y146 AromaticContact CZ-CD2 3.51Å; F142-Y146 HydrophobicContact CZ-CD2 3.51Å; F142-Y146 AromaticContact CZ-CE2 3.74Å; F142-Y146 HydrophobicContact CZ-CE2 3.74Å; F142-Y146 HydrophobicContact CZ-CG 4.27Å; F142-Y146 WeakPolarHBondContact O-CD2 3.43Å; F142-Y146 PolarHBondContact O-N 3.29Å |
| 147 | G | 96.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 75.4 Ų | 75.4 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -67.5 | 152.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T143 | T143-G147 WeakPolarHBondContact O-CA 3.34Å; T143-G147 PolarHBondContact O-N 3.09Å |
| 148 | V | 96.4 | Very high | 94 | Very high | 51 Ų | 51 | 72.8 Ų | 72.8 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -83.7 | 147.4 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | L37 K48 A49 T71 R150 | L37-V148 HydrophobicContact CD1-CB 4.29Å; L37-V148 HydrophobicContact CD1-CG1 4.41Å; K48-V148 WeakPolarHBondContact CB-O 3.19Å; K48-V148 WeakPolarHBondContact CD-O 3.22Å; A49-V148 PolarHBondContact N-O 3.42Å; A49-V148 WeakPolarHBondContact O-CB 3.49Å; A49-V148 PolarHBondContact O-N 3.38Å; T71-V148 HydrophobicContact CG2-CG2 4.13Å; T71-V148 WeakPolarHBondContact OG1-CG2 3.37Å; V148-R150 PolarHBondContact O-N 2.69Å |
| 149 | D | 94.4 | Very high | 93.7 | Very high | 117 Ų | 117 | 74.4 Ų | 74.4 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 132.4 | 174.9 | -69.8 | -29.9 | 0 | 0 | 0 | 111.4 | K48 P151 | K48-D149 IonicContact NZ-OD1 3.24Å; K48-D149 PolarHBondContact NZ-OD1 2.97Å; D149-P151 WeakPolarHBondContact O-CD 3.3Å |
| 150 | R | 90.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 80.1 Ų | 80.1 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 122.6 | -178.4 | -164 | 175.9 | -173.9 | 118.8 | 0.1 | 108.2 | L39 P40 H46 V148 S152 | L39-R150 HydrophobicContact CD2-CG 4.02Å; L39-R150 HydrophobicContact CG-CG 4.3Å; L39-R150 PolarHBondContact O-NH2 3.01Å; P40-R150 VanDerWaalsContact O-CZ 3.28Å; P40-R150 PolarHBondContact O-NH1 2.91Å; P40-R150 PolarHBondContact O-NH2 3.15Å; H46-R150 VanDerWaalsContact C-NH1 3.34Å; H46-R150 PolarHBondContact O-NH1 2.88Å; V148-R150 PolarHBondContact O-N 2.69Å; R150-S152 PolarHBondContact O-N 3.38Å |
| 151 | P | 85.7 | Confident | 93 | Very high | 51 Ų | 51 | 81.5 Ų | 81.5 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 138.4 | 176.6 | 24.8 | -31.8 | 0 | 0 | 0 | 109.7 | R22 L37 L39 D149 | R22-P151 HydrophobicContact CB-CG 4.31Å; R22-P151 HydrophobicContact CG-CG 4.15Å; L37-P151 HydrophobicContact CD2-CG 3.8Å; L39-P151 HydrophobicContact CD2-CG 4.19Å; D149-P151 WeakPolarHBondContact O-CD 3.3Å |
| 152 | S | 68.4 | Low | 92.6 | Very high | 186 Ų | 186 | 79.1 Ų | 79.1 | 100% | 1.301 | 43% | 0.427 | S | S | * | . | trans | -63 | 0 | 179.9 | -45.9 | 0 | 0 | 0 | 0 | 112.8 | R150 | R150-S152 PolarHBondContact O-N 3.38Š|
Retrieved 152 of 152 residues in 135.7 ms
(Link to these results)