| 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 | 83.9 | Confident | 90.5 | Very high | 120 Ų | 120 | 69.3 Ų | 69.3 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | 0 | 137.5 | 0 | 176.8 | -175.3 | -72.4 | 0 | 0 | 107.2 | K5 K6 L9 C27 L28 | M1-K5 HydrophobicContact CG-CB 4.01Å; M1-K5 HydrophobicContact SD-CB 4.42Å; M1-K6 HydrophobicContact SD-CB 4.02Å; M1-K6 HydrophobicContact SD-CD 4.24Å; M1-L9 HydrophobicContact CE-CD2 4.35Å; M1-C27 CarbonylContact O-C 3.52Å; M1-C27 WeakPolarHBondContact O-CA 3.4Å; M1-C27 WeakPolarHBondContact O-CB 3.44Å; M1-L28 PolarHBondContact O-N 3.16Å | |||
| 2 | E | 89.9 | Confident | 90.2 | Very high | 91 Ų | 91 | 79 Ų | 79 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 142.2 | 177 | -72.6 | 158.8 | -149.2 | 0 | 0 | 111.6 | K4 K5 K6 | E2-K4 VanDerWaalsContact C-N 3.32Å; E2-K4 PolarHBondContact O-N 2.92Å; E2-K5 HydrophobicContact CB-CD 4.29Å; E2-K5 HydrophobicContact CB-CG 4.41Å; E2-K5 WeakPolarHBondContact O-CB 3.25Å; E2-K5 PolarHBondContact O-N 2.89Å; E2-K5 IonicContact OE1-NZ 2.97Å; E2-K5 PolarHBondContact OE1-NZ 3.05Å; E2-K5 VanDerWaalsContact OE2-CE 3.27Å; E2-K5 WeakPolarHBondContact OE2-CE 3.39Å; E2-K5 IonicContact OE2-NZ 3.73Å; E2-K5 PolarHBondContact OE2-NZ 3.49Å; E2-K6 PolarHBondContact O-N 2.91Å |
| 3 | M | 91.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 86.2 Ų | 86.2 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -51.2 | -47.7 | 179.8 | -178.5 | 173.9 | -89.1 | 0 | 0 | 112.6 | K5 K6 I7 L24 L28 C29 I34 E35 M49 V52 | M3-K5 VanDerWaalsContact C-N 3.27Å; M3-K5 PolarHBondContact O-N 3.48Å; M3-K6 WeakPolarHBondContact O-CB 3.29Å; M3-K6 PolarHBondContact O-N 2.81Å; M3-I7 HydrophobicContact CG-CD1 4Å; M3-I7 HydrophobicContact CG-CG1 4.44Å; M3-I7 WeakPolarHBondContact O-CG1 3.31Å; M3-I7 PolarHBondContact O-N 3.44Å; M3-L24 HydrophobicContact CE-CD1 4.34Å; M3-L24 HydrophobicContact CG-CD1 4.2Å; M3-L24 HydrophobicContact SD-CD1 4.46Å; M3-L28 PolarHBondContact N-O 3.43Å; M3-L28 VanDerWaalsContact N-O 3.15Å; M3-C29 WeakPolarHBondContact CE-SG 2.96Å; M3-I34 HydrophobicContact SD-CG2 4.07Å; M3-E35 WeakPolarHBondContact CG-O 3.4Å; M3-M49 HydrophobicContact CE-CG 4.27Å; M3-M49 HydrophobicContact CE-SD 3.73Å; M3-V52 HydrophobicContact CE-CG2 4.19Å |
| 4 | K | 90 | Very high | 89.7 | Confident | 124 Ų | 124 | 88 Ų | 88 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | 178.7 | -171.8 | 175.4 | -177.9 | 176.9 | 0 | 113.2 | E2 N8 | E2-K4 VanDerWaalsContact C-N 3.32Å; E2-K4 PolarHBondContact O-N 2.92Å; K4-N8 PolarHBondContact O-N 2.99Å; K4-N8 PolarHBondContact O-ND2 3.4Å |
| 5 | K | 91 | Very high | 89.8 | Confident | 116 Ų | 116 | 84.8 Ų | 84.8 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 177.1 | -70.5 | 173.5 | 179.4 | 141.2 | 0 | 110.9 | M1 E2 M3 N8 L9 | M1-K5 HydrophobicContact CG-CB 4.01Å; M1-K5 HydrophobicContact SD-CB 4.42Å; E2-K5 HydrophobicContact CB-CD 4.29Å; E2-K5 HydrophobicContact CB-CG 4.41Å; E2-K5 WeakPolarHBondContact O-CB 3.25Å; E2-K5 PolarHBondContact O-N 2.89Å; E2-K5 IonicContact OE1-NZ 2.97Å; E2-K5 PolarHBondContact OE1-NZ 3.05Å; E2-K5 VanDerWaalsContact OE2-CE 3.27Å; E2-K5 WeakPolarHBondContact OE2-CE 3.39Å; E2-K5 IonicContact OE2-NZ 3.73Å; E2-K5 PolarHBondContact OE2-NZ 3.49Å; M3-K5 VanDerWaalsContact C-N 3.27Å; M3-K5 PolarHBondContact O-N 3.48Å; K5-N8 PolarHBondContact O-N 3.39Å; K5-L9 PolarHBondContact O-N 2.83Å; K5-L9 VanDerWaalsContact O-N 3.12Å |
| 6 | K | 92.7 | Very high | 89.8 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 175.9 | -177.6 | 61.4 | 166.1 | 165.1 | 0 | 111.5 | M1 E2 M3 N8 L9 E10 L24 C27 | M1-K6 HydrophobicContact SD-CB 4.02Å; M1-K6 HydrophobicContact SD-CD 4.24Å; E2-K6 PolarHBondContact O-N 2.91Å; M3-K6 WeakPolarHBondContact O-CB 3.29Å; M3-K6 PolarHBondContact O-N 2.81Å; K6-N8 PolarHBondContact O-N 2.81Å; K6-L9 WeakPolarHBondContact O-CA 3.26Å; K6-L9 WeakPolarHBondContact O-CB 3.37Å; K6-L9 PolarHBondContact O-N 2.77Å; K6-E10 HydrophobicContact CD-CG 4.37Å; K6-E10 VanDerWaalsContact CE-OE1 3.28Å; K6-E10 WeakPolarHBondContact CE-OE1 3.39Å; K6-E10 IonicContact NZ-OE1 2.74Å; K6-E10 PolarHBondContact NZ-OE1 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.19Å; K6-E10 PolarHBondContact O-N 2.82Å; K6-L24 HydrophobicContact CB-CD2 4.48Å; K6-L24 HydrophobicContact CG-CD2 3.91Å; K6-C27 HydrophobicContact CB-CB 4.28Å; K6-C27 HydrophobicContact CG-CB 4.42Å |
| 7 | I | 92.4 | Very high | 90 | Very high | 6 Ų | 6 | 82.8 Ų | 82.8 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.7 | -51.2 | 174.8 | -66.7 | 166.4 | 0 | 0 | 0 | 110.8 | M3 L9 E10 L11 L24 E35 L37 F41 | M3-I7 HydrophobicContact CG-CD1 4Å; M3-I7 HydrophobicContact CG-CG1 4.44Å; M3-I7 WeakPolarHBondContact O-CG1 3.31Å; M3-I7 PolarHBondContact O-N 3.44Å; I7-L9 PolarHBondContact O-N 2.8Å; I7-E10 PolarHBondContact O-N 3Å; I7-E10 VanDerWaalsContact O-N 3.12Å; I7-L11 HydrophobicContact CG2-CD1 4.15Å; I7-L11 HydrophobicContact CG2-CG 4.35Å; I7-L11 VanDerWaalsContact O-CG 3.32Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 2.82Å; I7-L24 HydrophobicContact CB-CD2 4.44Å; I7-L24 HydrophobicContact CD1-CD1 4.15Å; I7-L24 HydrophobicContact CG1-CD1 3.79Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.36Å; I7-E35 WeakPolarHBondContact CD1-O 3.33Å; I7-L37 HydrophobicContact CD1-CD2 3.9Å; I7-L37 HydrophobicContact CD1-CG 3.97Å; I7-L37 HydrophobicContact CG1-CD2 4.45Å; I7-F41 HydrophobicContact CG2-CZ 3.87Å |
| 8 | N | 91.4 | Very high | 90 | Very high | 103 Ų | 103 | 85.8 Ų | 85.8 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.9 | -33.4 | 179 | -77.6 | -80.4 | 0 | 0 | 0 | 112.9 | K4 K5 K6 | K4-N8 PolarHBondContact O-N 2.99Å; K4-N8 PolarHBondContact O-ND2 3.4Å; K5-N8 PolarHBondContact O-N 3.39Å; K6-N8 PolarHBondContact O-N 2.81Å |
| 9 | L | 91.7 | Very high | 90.2 | Very high | 97 Ų | 97 | 81.3 Ų | 81.3 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 176.3 | -172.7 | 68.3 | 0 | 0 | 0 | 112 | M1 K5 K6 I7 R12 | M1-L9 HydrophobicContact CE-CD2 4.35Å; K5-L9 PolarHBondContact O-N 2.83Å; K5-L9 VanDerWaalsContact O-N 3.12Å; K6-L9 WeakPolarHBondContact O-CA 3.26Å; K6-L9 WeakPolarHBondContact O-CB 3.37Å; K6-L9 PolarHBondContact O-N 2.77Å; I7-L9 PolarHBondContact O-N 2.8Å; L9-R12 WeakPolarHBondContact O-CG 3.45Å; L9-R12 PolarHBondContact O-N 3Å |
| 10 | E | 91.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 79.9 Ų | 79.9 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72 | -29.8 | 179.6 | -65.6 | -50.3 | 145.2 | 0 | 0 | 113.3 | K6 I7 R12 R14 L22 L24 | K6-E10 HydrophobicContact CD-CG 4.37Å; K6-E10 VanDerWaalsContact CE-OE1 3.28Å; K6-E10 WeakPolarHBondContact CE-OE1 3.39Å; K6-E10 IonicContact NZ-OE1 2.74Å; K6-E10 PolarHBondContact NZ-OE1 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.19Å; K6-E10 PolarHBondContact O-N 2.82Å; I7-E10 PolarHBondContact O-N 3Å; I7-E10 VanDerWaalsContact O-N 3.12Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 3.33Å; E10-R14 PolarHBondContact O-NH2 2.79Å; E10-L22 HydrophobicContact CB-CD1 3.58Å; E10-L22 HydrophobicContact CG-CD1 4.14Å; E10-L24 HydrophobicContact CG-CD2 4.47Å |
| 11 | L | 90 | Very high | 90.6 | Very high | 20 Ų | 20 | 82.1 Ų | 82.1 | 11% | 0.105 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 175.1 | -69.9 | 177.5 | 0 | 0 | 0 | 111.7 | I7 N13 R14 P16 V19 F41 | I7-L11 HydrophobicContact CG2-CD1 4.15Å; I7-L11 HydrophobicContact CG2-CG 4.35Å; I7-L11 VanDerWaalsContact O-CG 3.32Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 2.82Å; L11-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact O-N 3.11Å; L11-R14 WeakPolarHBondContact O-CB 3.47Å; L11-R14 WeakPolarHBondContact O-CG 3.4Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 PolarHBondContact O-NE 3.2Å; L11-P16 HydrophobicContact CD1-CG 4.01Å; L11-P16 HydrophobicContact CD2-CB 4.41Å; L11-P16 HydrophobicContact CD2-CG 4.29Å; L11-V19 HydrophobicContact CD2-CG2 3.72Å; L11-F41 HydrophobicContact CD2-CE1 3.89Å; L11-F41 HydrophobicContact CD2-CZ 4.31Å |
| 12 | R | 86.7 | Confident | 91.1 | Very high | 186 Ų | 186 | 76.5 Ų | 76.5 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 39.7 | 178.4 | -59.2 | -174.2 | -176.4 | 179.1 | 4.6 | 114.1 | L9 E10 R14 | L9-R12 WeakPolarHBondContact O-CG 3.45Å; L9-R12 PolarHBondContact O-N 3Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 3.33Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 2.79Å |
| 13 | N | 84.6 | Confident | 91.4 | Very high | 173 Ų | 173 | 74.8 Ų | 74.8 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 6.3 | -174.5 | -45.1 | -55.4 | 0 | 0 | 0 | 116.4 | L11 | L11-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact O-N 3.11Å |
| 14 | R | 89.7 | Confident | 91.6 | Very high | 111 Ų | 111 | 74.7 Ų | 74.7 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | trans | -72.4 | 150.2 | 166.6 | -62 | 178.7 | -72.2 | 173.5 | -0.2 | 110.2 | E10 L11 R12 V19 | E10-R14 PolarHBondContact O-NH2 2.79Å; L11-R14 WeakPolarHBondContact O-CB 3.47Å; L11-R14 WeakPolarHBondContact O-CG 3.4Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 PolarHBondContact O-NE 3.2Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 2.79Å; R14-V19 HydrophobicContact CB-CG2 4.33Å | ||
| 15 | A | 90.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 70.9 Ų | 70.9 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | trans | -68.4 | 138.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | E17 E18 | A15-E17 PolarHBondContact O-N 3.32Å; A15-E18 HydrophobicContact CB-CG 4.31Å; A15-E18 PolarHBondContact O-N 2.99Å | ||
| 16 | P | 90.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -53.9 | -26.5 | 173.7 | -27.1 | 34.9 | 0 | 0 | 0 | 113.9 | L11 E18 V19 T40 F41 | L11-P16 HydrophobicContact CD1-CG 4.01Å; L11-P16 HydrophobicContact CD2-CB 4.41Å; L11-P16 HydrophobicContact CD2-CG 4.29Å; P16-E18 VanDerWaalsContact C-N 3.27Å; P16-E18 PolarHBondContact O-N 3.36Å; P16-V19 PolarHBondContact O-N 2.89Å; P16-T40 VanDerWaalsContact CB-OG1 3.29Å; P16-T40 WeakPolarHBondContact CB-OG1 3.48Å; P16-F41 HydrophobicContact CB-CD1 4.08Å; P16-F41 HydrophobicContact CB-CD2 4.43Å; P16-F41 HydrophobicContact CB-CE1 3.88Å; P16-F41 HydrophobicContact CB-CE2 4.23Å; P16-F41 HydrophobicContact CB-CG 4.37Å; P16-F41 HydrophobicContact CB-CZ 3.95Å |
| 17 | E | 92.3 | Very high | 91.8 | Very high | 98 Ų | 98 | 68.7 Ų | 68.7 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -70.4 | -20 | -179.7 | -60.5 | -178.8 | 151.4 | 0 | 0 | 113.3 | A15 T40 K42 E43 | A15-E17 PolarHBondContact O-N 3.32Å; E17-T40 WeakPolarHBondContact CA-O 3.45Å; E17-T40 WeakPolarHBondContact CG-O 3.44Å; E17-K42 IonicContact OE1-NZ 2.79Å; E17-E43 WeakPolarHBondContact O-CB 3.38Å; E17-E43 WeakPolarHBondContact O-CG 3.31Å |
| 18 | E | 90.6 | Very high | 91.5 | Very high | 136 Ų | 136 | 72.9 Ų | 72.9 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -102 | 0.6 | -178 | -60.8 | 175 | 154.5 | 0 | 0 | 112.5 | A15 P16 | A15-E18 HydrophobicContact CB-CG 4.31Å; A15-E18 PolarHBondContact O-N 2.99Å; P16-E18 VanDerWaalsContact C-N 3.27Å; P16-E18 PolarHBondContact O-N 3.36Å |
| 19 | V | 93.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | trans | -90 | 115.4 | -174.5 | 176.6 | 0 | 0 | 0 | 0 | 110 | L11 R14 P16 E21 L22 E43 L44 | L11-V19 HydrophobicContact CD2-CG2 3.72Å; R14-V19 HydrophobicContact CB-CG2 4.33Å; P16-V19 PolarHBondContact O-N 2.89Å; V19-E21 WeakPolarHBondContact CG1-O 3.29Å; V19-L22 HydrophobicContact CG1-CB 4.46Å; V19-E43 CarbonylContact O-C 3.17Å; V19-L44 HydrophobicContact CG1-CD1 4.17Å; V19-L44 WeakPolarHBondContact O-CA 3.31Å; V19-L44 PolarHBondContact O-N 3.23Å | ||
| 20 | T | 93.9 | Very high | 91 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | trans | -89.3 | -29.4 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | E43 E45 F46 | T20-E43 WeakPolarHBondContact CA-O 3.43Å; T20-E45 PolarHBondContact O-N 2.89Å; T20-F46 PolarHBondContact O-N 2.84Å | ||
| 21 | E | 94.9 | Very high | 90.7 | Very high | 127 Ų | 127 | 71.6 Ų | 71.6 | 59% | 0.593 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.9 | -177.5 | -58.9 | -178.1 | -179.6 | 0 | 0 | 111.5 | V19 F46 | V19-E21 WeakPolarHBondContact CG1-O 3.29Å; E21-F46 WeakPolarHBondContact CA-O 3.03Å; E21-F46 HydrophobicContact CB-CB 4.37Å; E21-F46 HydrophobicContact CB-CD1 4.25Å; E21-F46 HydrophobicContact CG-CB 4.07Å; E21-F46 HydrophobicContact CG-CD1 4.46Å |
| 22 | L | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 120.2 | 178.4 | -171.5 | 64 | 0 | 0 | 0 | 111.8 | E10 V19 L24 L37 F41 L44 F46 L47 S48 | E10-L22 HydrophobicContact CB-CD1 3.58Å; E10-L22 HydrophobicContact CG-CD1 4.14Å; V19-L22 HydrophobicContact CG1-CB 4.46Å; L22-L24 HydrophobicContact CD1-CD2 3.94Å; L22-L24 HydrophobicContact CD2-CD1 4.01Å; L22-L24 HydrophobicContact CD2-CD2 4.18Å; L22-L24 HydrophobicContact CD2-CG 4.2Å; L22-L24 HydrophobicContact CG-CD1 4.3Å; L22-L24 HydrophobicContact CG-CD2 3.84Å; L22-L24 HydrophobicContact CG-CG 3.94Å; L22-L37 HydrophobicContact CD2-CD2 3.61Å; L22-F41 HydrophobicContact CD2-CD1 4.44Å; L22-F41 HydrophobicContact CD2-CE1 3.98Å; L22-F41 HydrophobicContact CD2-CZ 4.38Å; L22-L44 HydrophobicContact CB-CD1 3.62Å; L22-F46 PolarHBondContact N-O 3.45Å; L22-L47 HydrophobicContact CB-CD1 4.18Å; L22-L47 HydrophobicContact CD2-CD1 4.21Å; L22-L47 HydrophobicContact CG-CD1 4.33Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L22-S48 PolarHBondContact O-N 3.33Å |
| 23 | V | 95.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.8 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | D25 F46 | V23-D25 HydrophobicContact CG1-CB 4.34Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.21Å; V23-F46 HydrophobicContact CG2-CD1 4.45Å; V23-F46 HydrophobicContact CG2-CE1 3.81Å |
| 24 | L | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -114.6 | 19.9 | -176.1 | -53.7 | 179.7 | 0 | 0 | 0 | 112.6 | M3 K6 I7 E10 L22 C27 L37 L47 S48 M49 V52 | M3-L24 HydrophobicContact CE-CD1 4.34Å; M3-L24 HydrophobicContact CG-CD1 4.2Å; M3-L24 HydrophobicContact SD-CD1 4.46Å; K6-L24 HydrophobicContact CB-CD2 4.48Å; K6-L24 HydrophobicContact CG-CD2 3.91Å; I7-L24 HydrophobicContact CB-CD2 4.44Å; I7-L24 HydrophobicContact CD1-CD1 4.15Å; I7-L24 HydrophobicContact CG1-CD1 3.79Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.36Å; E10-L24 HydrophobicContact CG-CD2 4.47Å; L22-L24 HydrophobicContact CD1-CD2 3.94Å; L22-L24 HydrophobicContact CD2-CD1 4.01Å; L22-L24 HydrophobicContact CD2-CD2 4.18Å; L22-L24 HydrophobicContact CD2-CG 4.2Å; L22-L24 HydrophobicContact CG-CD1 4.3Å; L22-L24 HydrophobicContact CG-CD2 3.84Å; L22-L24 HydrophobicContact CG-CG 3.94Å; L24-C27 WeakPolarHBondContact O-CB 3.19Å; L24-C27 PolarHBondContact O-SG 2.87Å; L24-L37 HydrophobicContact CD1-CD1 4.23Å; L24-L37 HydrophobicContact CD1-CD2 4.3Å; L24-L37 HydrophobicContact CD1-CG 4.4Å; L24-L47 HydrophobicContact CD1-CD1 4.2Å; L24-S48 WeakPolarHBondContact CA-O 3.37Å; L24-S48 WeakPolarHBondContact CB-O 3.19Å; L24-S48 PolarHBondContact N-O 3.19Å; L24-M49 HydrophobicContact CB-CG 4.15Å; L24-M49 HydrophobicContact CD1-CG 4.2Å; L24-M49 HydrophobicContact CD1-SD 4.34Å; L24-V52 WeakPolarHBondContact O-CG1 3.32Å | ||
| 25 | D | 94.5 | Very high | 91.1 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 151.6 | -175.2 | -53.1 | -17.4 | 0 | 0 | 0 | 112.8 | V23 C27 S48 A50 | V23-D25 HydrophobicContact CG1-CB 4.34Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.21Å; D25-C27 PolarHBondContact O-N 3.39Å; D25-C27 VanDerWaalsContact O-N 3.16Å; D25-S48 WeakPolarHBondContact OD1-CB 3.41Å; D25-S48 PolarHBondContact OD1-OG 2.82Å; D25-S48 PolarHBondContact OD2-OG 3.34Å; D25-A50 CarbonylContact C-O 3.54Å; D25-A50 VanDerWaalsContact CA-O 3.25Å; D25-A50 WeakPolarHBondContact CA-O 3.46Å; D25-A50 HydrophobicContact CB-CB 4.23Å; D25-A50 PolarHBondContact OD1-N 2.83Å |
| 26 | N | 92.8 | Very high | 91 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29.3 | 176.6 | -53.7 | -80.5 | 0 | 0 | 0 | 113.1 | A50 N51 | N26-A50 PolarHBondContact N-O 3.49Å; N26-N51 WeakPolarHBondContact CA-O 3.42Å; N26-N51 PolarHBondContact OD1-ND2 3.14Å |
| 27 | C | 91.1 | Very high | 91 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | trans | -97.7 | 168.8 | 170 | 81.9 | 0 | 0 | 0 | 0 | 111.3 | M1 K6 L24 D25 V52 | M1-C27 CarbonylContact O-C 3.52Å; M1-C27 WeakPolarHBondContact O-CA 3.4Å; M1-C27 WeakPolarHBondContact O-CB 3.44Å; K6-C27 HydrophobicContact CB-CB 4.28Å; K6-C27 HydrophobicContact CG-CB 4.42Å; L24-C27 WeakPolarHBondContact O-CB 3.19Å; L24-C27 PolarHBondContact O-SG 2.87Å; D25-C27 PolarHBondContact O-N 3.39Å; D25-C27 VanDerWaalsContact O-N 3.16Å; C27-V52 VanDerWaalsContact O-CA 3.23Å; C27-V52 WeakPolarHBondContact O-CA 3.24Å; C27-V52 WeakPolarHBondContact O-CB 3.37Å; C27-V52 VanDerWaalsContact SG-CG1 3.53Å | ||
| 28 | L | 86.9 | Confident | 90.9 | Very high | 93 Ų | 93 | 52 Ų | 52 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -105 | 118 | 178.4 | -67.4 | 169 | 0 | 0 | 0 | 109.2 | M1 M3 | M1-L28 PolarHBondContact O-N 3.16Å; M3-L28 PolarHBondContact N-O 3.43Å; M3-L28 VanDerWaalsContact N-O 3.15Å |
| 29 | C | 87.6 | Confident | 90.8 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | trans | -79.1 | 133.2 | 164.9 | -72.7 | 0 | 0 | 0 | 0 | 109.8 | M3 N31 E33 V52 | M3-C29 WeakPolarHBondContact CE-SG 2.96Å; C29-N31 PolarHBondContact O-N 2.98Å; C29-E33 WeakPolarHBondContact CB-O 3.23Å; C29-V52 WeakPolarHBondContact CB-O 3.45Å; C29-V52 PolarHBondContact N-O 2.85Å; C29-V52 VanDerWaalsContact SG-CG2 3.59Å | ||
| 30 | V | 85.3 | Confident | 90.8 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -77 | 124.1 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | G32 E33 | V30-G32 PolarHBondContact O-N 3.02Å; V30-G32 VanDerWaalsContact O-N 3.16Å; V30-E33 PolarHBondContact O-N 3.26Å |
| 31 | N | 85 | Confident | 90.7 | Very high | 141 Ų | 141 | 50.3 Ų | 50.3 | 75% | 0.754 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | 57 | 24 | -176.9 | -54.2 | -33.3 | 0 | 0 | 0 | 114.7 | C29 E33 | C29-N31 PolarHBondContact O-N 2.98Å; N31-E33 PolarHBondContact O-N 3.08Å |
| 32 | G | 86.6 | Confident | 90.5 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | 65.3 | 26.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | V30 E53 L54 S55 S56 | V30-G32 PolarHBondContact O-N 3.02Å; V30-G32 VanDerWaalsContact O-N 3.16Å; G32-E53 VanDerWaalsContact CA-O 3.29Å; G32-E53 WeakPolarHBondContact CA-O 3.3Å; G32-L54 WeakPolarHBondContact O-CD1 3.4Å; G32-S55 PolarHBondContact O-N 3.38Å; G32-S55 PolarHBondContact O-OG 3.05Å; G32-S55 VanDerWaalsContact O-OG 3.07Å; G32-S56 PolarHBondContact O-N 2.96Å |
| 33 | E | 90.4 | Very high | 90.5 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | trans | -115.6 | 151.6 | 174.6 | -61.6 | -174.2 | 161.5 | 0 | 0 | 111.2 | C29 V30 N31 R59 | C29-E33 WeakPolarHBondContact CB-O 3.23Å; V30-E33 PolarHBondContact O-N 3.26Å; N31-E33 PolarHBondContact O-N 3.08Å; E33-R59 IonicContact OE2-CZ 2.67Å; E33-R59 IonicContact OE2-NE 2.82Å; E33-R59 PolarHBondContact OE2-NE 2.85Å; E33-R59 IonicContact OE2-NH2 2.7Å; E33-R59 PolarHBondContact OE2-NH2 2.8Å | ||
| 34 | I | 91.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -68.8 | 131.9 | 176.4 | -58.7 | 175.2 | 0 | 0 | 0 | 109.9 | M3 L37 M49 L54 R59 L60 | M3-I34 HydrophobicContact SD-CG2 4.07Å; I34-L37 HydrophobicContact CG2-CB 3.84Å; I34-L37 HydrophobicContact CG2-CD1 3.73Å; I34-L37 HydrophobicContact CG2-CG 4Å; I34-M49 HydrophobicContact CD1-CE 3.85Å; I34-M49 HydrophobicContact CD1-SD 4.38Å; I34-M49 HydrophobicContact CG1-CE 4.4Å; I34-M49 HydrophobicContact CG1-SD 4.43Å; I34-L54 HydrophobicContact CD1-CD2 4.38Å; I34-L54 HydrophobicContact CG1-CD1 3.67Å; I34-L54 HydrophobicContact CG1-CD2 4.2Å; I34-R59 HydrophobicContact CB-CB 4.18Å; I34-R59 WeakPolarHBondContact O-CD 3.13Å; I34-L60 HydrophobicContact CD1-CB 4.04Å; I34-L60 HydrophobicContact CD1-CD1 3.48Å; I34-L60 VanDerWaalsContact CD1-CD1 3.48Å; I34-L60 HydrophobicContact CD1-CG 4.38Å | ||
| 35 | E | 90.8 | Very high | 90.6 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | trans | -132.2 | 134 | 176 | -66.2 | -164.6 | 160.1 | 0 | 0 | 112.7 | M3 I7 L37 | M3-E35 WeakPolarHBondContact CG-O 3.4Å; I7-E35 WeakPolarHBondContact CD1-O 3.33Å; E35-L37 VanDerWaalsContact C-N 3.35Å | ||
| 36 | G | 87.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 91.7 | -15.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 37 | L | 90.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | trans | -76 | 140.7 | 164.5 | -66.7 | -179.6 | 0 | 0 | 0 | 110.3 | I7 L22 L24 I34 E35 F41 L47 M49 P61 | I7-L37 HydrophobicContact CD1-CD2 3.9Å; I7-L37 HydrophobicContact CD1-CG 3.97Å; I7-L37 HydrophobicContact CG1-CD2 4.45Å; L22-L37 HydrophobicContact CD2-CD2 3.61Å; L24-L37 HydrophobicContact CD1-CD1 4.23Å; L24-L37 HydrophobicContact CD1-CD2 4.3Å; L24-L37 HydrophobicContact CD1-CG 4.4Å; I34-L37 HydrophobicContact CG2-CB 3.84Å; I34-L37 HydrophobicContact CG2-CD1 3.73Å; I34-L37 HydrophobicContact CG2-CG 4Å; E35-L37 VanDerWaalsContact C-N 3.35Å; L37-F41 HydrophobicContact CD2-CD2 4.16Å; L37-F41 HydrophobicContact CD2-CE2 3.88Å; L37-F41 HydrophobicContact CD2-CZ 4.17Å; L37-L47 HydrophobicContact CD1-CD1 4.37Å; L37-L47 HydrophobicContact CD1-CD2 4.03Å; L37-M49 HydrophobicContact CD1-SD 3.97Å; L37-P61 HydrophobicContact CB-CG 4.01Å | ||
| 38 | N | 90.4 | Very high | 91.1 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | trans | -152.6 | 177.7 | -178.7 | 60.6 | 44.1 | 0 | 0 | 0 | 110 | T40 F41 P61 | N38-T40 PolarHBondContact O-N 3.48Å; N38-T40 VanDerWaalsContact OD1-CB 3.24Å; N38-T40 WeakPolarHBondContact OD1-CB 3.19Å; N38-T40 VanDerWaalsContact OD1-CG2 3.31Å; N38-T40 WeakPolarHBondContact OD1-CG2 3.17Å; N38-T40 PolarHBondContact OD1-N 3.17Å; N38-T40 PolarHBondContact OD1-OG1 2.99Å; N38-F41 WeakPolarHBondContact O-CD2 3.47Å; N38-P61 VanDerWaalsContact C-CB 3.4Å | ||
| 39 | D | 89.3 | Confident | 91.5 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 54% | 0.54 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 8.7 | -175.8 | -52.7 | -45.4 | 0 | 0 | 0 | 114.4 | P61 S62 | D39-P61 WeakPolarHBondContact OD1-CB 3.47Å; D39-S62 PolarHBondContact OD1-N 2.99Å |
| 40 | T | 91.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20 | 174.7 | 67 | 0 | 0 | 0 | 0 | 112.9 | P16 E17 N38 K42 | P16-T40 VanDerWaalsContact CB-OG1 3.29Å; P16-T40 WeakPolarHBondContact CB-OG1 3.48Å; E17-T40 WeakPolarHBondContact CA-O 3.45Å; E17-T40 WeakPolarHBondContact CG-O 3.44Å; N38-T40 PolarHBondContact O-N 3.48Å; N38-T40 VanDerWaalsContact OD1-CB 3.24Å; N38-T40 WeakPolarHBondContact OD1-CB 3.19Å; N38-T40 VanDerWaalsContact OD1-CG2 3.31Å; N38-T40 WeakPolarHBondContact OD1-CG2 3.17Å; N38-T40 PolarHBondContact OD1-N 3.17Å; N38-T40 PolarHBondContact OD1-OG1 2.99Å; T40-K42 PolarHBondContact O-N 2.79Å |
| 41 | F | 92.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | trans | -78 | 62.5 | 177.5 | -66.8 | -87.8 | 0 | 0 | 0 | 111.5 | I7 L11 P16 L22 L37 N38 L44 L63 | I7-F41 HydrophobicContact CG2-CZ 3.87Å; L11-F41 HydrophobicContact CD2-CE1 3.89Å; L11-F41 HydrophobicContact CD2-CZ 4.31Å; P16-F41 HydrophobicContact CB-CD1 4.08Å; P16-F41 HydrophobicContact CB-CD2 4.43Å; P16-F41 HydrophobicContact CB-CE1 3.88Å; P16-F41 HydrophobicContact CB-CE2 4.23Å; P16-F41 HydrophobicContact CB-CG 4.37Å; P16-F41 HydrophobicContact CB-CZ 3.95Å; L22-F41 HydrophobicContact CD2-CD1 4.44Å; L22-F41 HydrophobicContact CD2-CE1 3.98Å; L22-F41 HydrophobicContact CD2-CZ 4.38Å; L37-F41 HydrophobicContact CD2-CD2 4.16Å; L37-F41 HydrophobicContact CD2-CE2 3.88Å; L37-F41 HydrophobicContact CD2-CZ 4.17Å; N38-F41 WeakPolarHBondContact O-CD2 3.47Å; F41-L44 HydrophobicContact CB-CB 4.16Å; F41-L44 HydrophobicContact CB-CD2 4.38Å; F41-L63 HydrophobicContact CB-CD2 3.95Å; F41-L63 WeakPolarHBondContact O-CD2 3.17Å | ||
| 42 | K | 90.9 | Very high | 92.8 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -32.4 | -171.9 | -65.4 | 175.2 | -174.2 | 160.4 | 0 | 113.5 | E17 T40 K65 | E17-K42 IonicContact OE1-NZ 2.79Å; T40-K42 PolarHBondContact O-N 2.79Å; K42-K65 WeakPolarHBondContact O-CD 3.34Å |
| 43 | E | 94.2 | Very high | 93.2 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 33% | 0.327 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 6.6 | -176.5 | -60.6 | -60.8 | 126.4 | 0 | 0 | 112.7 | E17 V19 T20 E45 K65 | E17-E43 WeakPolarHBondContact O-CB 3.38Å; E17-E43 WeakPolarHBondContact O-CG 3.31Å; V19-E43 CarbonylContact O-C 3.17Å; T20-E43 WeakPolarHBondContact CA-O 3.43Å; E43-E45 PolarHBondContact O-N 3.4Å; E43-K65 IonicContact OE1-NZ 2.58Å; E43-K65 PolarHBondContact OE1-NZ 2.93Å; E43-K65 IonicContact OE2-NZ 3.88Å; E43-K65 PolarHBondContact OE2-NZ 2.98Å |
| 44 | L | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -70.6 | 119.9 | -176.6 | -166.4 | 73.3 | 0 | 0 | 0 | 110.9 | V19 L22 F41 F46 L47 L63 K65 L66 | V19-L44 HydrophobicContact CG1-CD1 4.17Å; V19-L44 WeakPolarHBondContact O-CA 3.31Å; V19-L44 PolarHBondContact O-N 3.23Å; L22-L44 HydrophobicContact CB-CD1 3.62Å; F41-L44 HydrophobicContact CB-CB 4.16Å; F41-L44 HydrophobicContact CB-CD2 4.38Å; L44-F46 WeakPolarHBondContact CD1-O 3.5Å; L44-L47 HydrophobicContact CD2-CB 4.06Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 HydrophobicContact CD2-CD2 4.42Å; L44-L63 HydrophobicContact CB-CD2 4.49Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.19Å; L44-K65 CarbonylContact O-C 3.59Å; L44-L66 HydrophobicContact CD2-CD1 4.16Å; L44-L66 HydrophobicContact CG-CD1 4.05Å; L44-L66 WeakPolarHBondContact O-CA 3.48Å; L44-L66 PolarHBondContact O-N 2.78Å | ||
| 45 | E | 96.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | trans | -107.7 | -34.1 | -179 | -72.9 | 168.9 | -172.3 | 0 | 0 | 111.4 | T20 E43 K65 L66 R67 K68 | T20-E45 PolarHBondContact O-N 2.89Å; E43-E45 PolarHBondContact O-N 3.4Å; E45-K65 HydrophobicContact CG-CB 4.46Å; E45-L66 WeakPolarHBondContact O-CD1 3.48Å; E45-R67 PolarHBondContact O-N 3.44Å; E45-K68 PolarHBondContact O-N 2.83Å | ||
| 46 | F | 96.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 20% | 0.202 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.6 | 177.8 | 177.8 | -113.4 | 0 | 0 | 0 | 112.1 | T20 E21 L22 V23 L44 K68 E70 | T20-F46 PolarHBondContact O-N 2.84Å; E21-F46 WeakPolarHBondContact CA-O 3.03Å; E21-F46 HydrophobicContact CB-CB 4.37Å; E21-F46 HydrophobicContact CB-CD1 4.25Å; E21-F46 HydrophobicContact CG-CB 4.07Å; E21-F46 HydrophobicContact CG-CD1 4.46Å; L22-F46 PolarHBondContact N-O 3.45Å; V23-F46 HydrophobicContact CG2-CD1 4.45Å; V23-F46 HydrophobicContact CG2-CE1 3.81Å; L44-F46 WeakPolarHBondContact CD1-O 3.5Å; F46-K68 WeakPolarHBondContact CA-O 3.24Å; F46-K68 HydrophobicContact CD2-CB 3.77Å; F46-K68 HydrophobicContact CD2-CD 3.66Å; F46-K68 HydrophobicContact CD2-CG 3.53Å; F46-K68 HydrophobicContact CE2-CB 4.44Å; F46-K68 HydrophobicContact CE2-CD 3.67Å; F46-K68 HydrophobicContact CE2-CG 3.71Å; F46-E70 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CZ-CG 4.1Å |
| 47 | L | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.7 | 174.2 | 177.5 | 58.8 | 0 | 0 | 0 | 110.2 | L22 L24 L37 L44 M49 L60 L63 L66 K68 L69 E70 | L22-L47 HydrophobicContact CB-CD1 4.18Å; L22-L47 HydrophobicContact CD2-CD1 4.21Å; L22-L47 HydrophobicContact CG-CD1 4.33Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L24-L47 HydrophobicContact CD1-CD1 4.2Å; L37-L47 HydrophobicContact CD1-CD1 4.37Å; L37-L47 HydrophobicContact CD1-CD2 4.03Å; L44-L47 HydrophobicContact CD2-CB 4.06Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 HydrophobicContact CD2-CD2 4.42Å; L47-M49 HydrophobicContact CD1-CG 3.98Å; L47-M49 HydrophobicContact CD1-SD 4.39Å; L47-M49 HydrophobicContact CD2-CE 3.89Å; L47-M49 HydrophobicContact CD2-SD 4.25Å; L47-M49 HydrophobicContact CG-CE 4.35Å; L47-M49 HydrophobicContact CG-CG 4.14Å; L47-M49 HydrophobicContact CG-SD 4.47Å; L47-L60 HydrophobicContact CD2-CD1 4.39Å; L47-L63 HydrophobicContact CD2-CD1 4.04Å; L47-L66 HydrophobicContact CB-CD1 3.66Å; L47-L66 HydrophobicContact CB-CD2 4.38Å; L47-K68 PolarHBondContact N-O 3.01Å; L47-L69 HydrophobicContact CB-CD1 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.98Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.21Å; L47-E70 PolarHBondContact O-N 3.09Å |
| 48 | S | 97.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.6 | 171.2 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | L22 L24 D25 E70 | L22-S48 PolarHBondContact O-N 3.33Å; L24-S48 WeakPolarHBondContact CA-O 3.37Å; L24-S48 WeakPolarHBondContact CB-O 3.19Å; L24-S48 PolarHBondContact N-O 3.19Å; D25-S48 WeakPolarHBondContact OD1-CB 3.41Å; D25-S48 PolarHBondContact OD1-OG 2.82Å; D25-S48 PolarHBondContact OD2-OG 3.34Å; S48-E70 WeakPolarHBondContact OG-CB 3.21Å |
| 49 | M | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -134.9 | 53.2 | 175 | -60 | -172.9 | -67.1 | 0 | 0 | 109.4 | M3 L24 I34 L37 L47 V52 L54 L60 L69 E70 L71 N74 | M3-M49 HydrophobicContact CE-CG 4.27Å; M3-M49 HydrophobicContact CE-SD 3.73Å; L24-M49 HydrophobicContact CB-CG 4.15Å; L24-M49 HydrophobicContact CD1-CG 4.2Å; L24-M49 HydrophobicContact CD1-SD 4.34Å; I34-M49 HydrophobicContact CD1-CE 3.85Å; I34-M49 HydrophobicContact CD1-SD 4.38Å; I34-M49 HydrophobicContact CG1-CE 4.4Å; I34-M49 HydrophobicContact CG1-SD 4.43Å; L37-M49 HydrophobicContact CD1-SD 3.97Å; L47-M49 HydrophobicContact CD1-CG 3.98Å; L47-M49 HydrophobicContact CD1-SD 4.39Å; L47-M49 HydrophobicContact CD2-CE 3.89Å; L47-M49 HydrophobicContact CD2-SD 4.25Å; L47-M49 HydrophobicContact CG-CE 4.35Å; L47-M49 HydrophobicContact CG-CG 4.14Å; L47-M49 HydrophobicContact CG-SD 4.47Å; M49-V52 HydrophobicContact CB-CG1 4.45Å; M49-V52 HydrophobicContact CB-CG2 4.15Å; M49-L54 HydrophobicContact CE-CD2 4.3Å; M49-L60 HydrophobicContact CE-CD1 4.38Å; M49-L69 HydrophobicContact CE-CD1 4.46Å; M49-E70 PolarHBondContact N-O 2.97Å; M49-L71 HydrophobicContact CB-CD2 4.14Å; M49-L71 HydrophobicContact CE-CD2 3.53Å; M49-N74 PolarHBondContact O-ND2 2.98Å | ||
| 50 | A | 95.7 | Very high | 94.2 | Very high | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 139.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D25 N26 V52 S72 | D25-A50 CarbonylContact C-O 3.54Å; D25-A50 VanDerWaalsContact CA-O 3.25Å; D25-A50 WeakPolarHBondContact CA-O 3.46Å; D25-A50 HydrophobicContact CB-CB 4.23Å; D25-A50 PolarHBondContact OD1-N 2.83Å; N26-A50 PolarHBondContact N-O 3.49Å; A50-V52 WeakPolarHBondContact O-CG1 3.29Å; A50-V52 PolarHBondContact O-N 3.17Å; A50-S72 CarbonylContact C-O 3.38Å; A50-S72 VanDerWaalsContact CA-O 3.29Å; A50-S72 WeakPolarHBondContact CA-O 3.18Å; A50-S72 VanDerWaalsContact CB-OG 3.3Å; A50-S72 WeakPolarHBondContact CB-OG 3.38Å |
| 51 | N | 95 | Very high | 94.3 | Very high | 78 Ų | 78 | 40 Ų | 40 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 54.1 | 176.8 | -173.3 | 38.3 | 0 | 0 | 0 | 113.1 | N26 S72 D73 | N26-N51 WeakPolarHBondContact CA-O 3.42Å; N26-N51 PolarHBondContact OD1-ND2 3.14Å; N51-S72 PolarHBondContact N-O 3.4Å; N51-D73 WeakPolarHBondContact CA-O 3.37Å; N51-D73 HydrophobicContact CB-CB 4.08Å |
| 52 | V | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -115.6 | 10.6 | 179.3 | -50.8 | 0 | 0 | 0 | 0 | 113.9 | M3 L24 C27 C29 M49 A50 L54 N74 | M3-V52 HydrophobicContact CE-CG2 4.19Å; L24-V52 WeakPolarHBondContact O-CG1 3.32Å; C27-V52 VanDerWaalsContact O-CA 3.23Å; C27-V52 WeakPolarHBondContact O-CA 3.24Å; C27-V52 WeakPolarHBondContact O-CB 3.37Å; C27-V52 VanDerWaalsContact SG-CG1 3.53Å; C29-V52 WeakPolarHBondContact CB-O 3.45Å; C29-V52 PolarHBondContact N-O 2.85Å; C29-V52 VanDerWaalsContact SG-CG2 3.59Å; M49-V52 HydrophobicContact CB-CG1 4.45Å; M49-V52 HydrophobicContact CB-CG2 4.15Å; A50-V52 WeakPolarHBondContact O-CG1 3.29Å; A50-V52 PolarHBondContact O-N 3.17Å; V52-L54 HydrophobicContact CG2-CB 3.85Å; V52-L54 PolarHBondContact O-N 3.16Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.5Å; V52-N74 PolarHBondContact N-OD1 3.02Å; V52-N74 VanDerWaalsContact N-OD1 3.09Å |
| 53 | E | 93.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 36.4 Ų | 36.4 | 55% | 0.547 | 20% | 0.195 | S | C | . | . | trans | 57.4 | 32.4 | -174.7 | -56.3 | -177.4 | 171.3 | 0 | 0 | 113.1 | G32 S55 N74 | G32-E53 VanDerWaalsContact CA-O 3.29Å; G32-E53 WeakPolarHBondContact CA-O 3.3Å; E53-S55 PolarHBondContact O-N 3.3Å; E53-N74 PolarHBondContact N-OD1 3.38Å | ||
| 54 | L | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -69.9 | 130.6 | -179.5 | -165.1 | 67.5 | 0 | 0 | 0 | 111.2 | G32 I34 M49 V52 L57 L71 N74 I75 I76 | G32-L54 WeakPolarHBondContact O-CD1 3.4Å; I34-L54 HydrophobicContact CD1-CD2 4.38Å; I34-L54 HydrophobicContact CG1-CD1 3.67Å; I34-L54 HydrophobicContact CG1-CD2 4.2Å; M49-L54 HydrophobicContact CE-CD2 4.3Å; V52-L54 HydrophobicContact CG2-CB 3.85Å; V52-L54 PolarHBondContact O-N 3.16Å; L54-L57 HydrophobicContact CD2-CD2 3.75Å; L54-L71 HydrophobicContact CD2-CD2 4.12Å; L54-N74 HydrophobicContact CB-CB 4.08Å; L54-N74 WeakPolarHBondContact CB-OD1 3.02Å; L54-N74 PolarHBondContact N-OD1 3.15Å; L54-I75 CarbonylContact O-C 3.42Å; L54-I75 WeakPolarHBondContact O-CA 3.2Å; L54-I75 WeakPolarHBondContact O-CG1 3.38Å; L54-I75 PolarHBondContact O-N 3.37Å; L54-I76 HydrophobicContact CD2-CD1 4.27Å; L54-I76 PolarHBondContact O-N 3.23Å | ||
| 55 | S | 93.8 | Very high | 94.5 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | trans | -112.2 | -22.6 | 178.4 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | G32 E53 | G32-S55 PolarHBondContact O-N 3.38Å; G32-S55 PolarHBondContact O-OG 3.05Å; G32-S55 VanDerWaalsContact O-OG 3.07Å; E53-S55 PolarHBondContact O-N 3.3Å | ||
| 56 | S | 92.7 | Very high | 94.5 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | trans | -144.7 | 139.3 | -173.8 | 178.4 | 0 | 0 | 0 | 0 | 112 | G32 A58 | G32-S56 PolarHBondContact O-N 2.96Å; S56-A58 WeakPolarHBondContact OG-CB 3.46Å; S56-A58 PolarHBondContact OG-N 2.77Å | ||
| 57 | L | 93.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -94.5 | 3.7 | 175.1 | -64.3 | 168.4 | 0 | 0 | 0 | 112.9 | L54 R59 L60 L71 I76 L80 L83 | L54-L57 HydrophobicContact CD2-CD2 3.75Å; L57-R59 PolarHBondContact O-N 3.01Å; L57-L60 VanDerWaalsContact O-CB 3.24Å; L57-L60 WeakPolarHBondContact O-CB 3.28Å; L57-L60 PolarHBondContact O-N 3.37Å; L57-L71 HydrophobicContact CD1-CD1 4.18Å; L57-L71 HydrophobicContact CD2-CD1 3.79Å; L57-L71 HydrophobicContact CD2-CD2 4.35Å; L57-I76 HydrophobicContact CD1-CD1 4.47Å; L57-I76 HydrophobicContact CD2-CD1 4.34Å; L57-I76 HydrophobicContact CG-CD1 4.36Å; L57-L80 HydrophobicContact CD1-CD2 4Å; L57-L83 HydrophobicContact CD1-CD1 4.11Å; L57-L83 HydrophobicContact CD1-CD2 3.91Å; L57-L83 HydrophobicContact CD1-CG 3.96Å | ||
| 58 | A | 91.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 54% | 0.537 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | S56 | S56-A58 WeakPolarHBondContact OG-CB 3.46Å; S56-A58 PolarHBondContact OG-N 2.77Å |
| 59 | R | 92.3 | Very high | 94.6 | Very high | 136 Ų | 136 | 40.2 Ų | 40.2 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9 | 178.5 | -66.5 | -160.4 | -176.5 | -163.8 | 9.3 | 114.3 | E33 I34 L57 | E33-R59 IonicContact OE2-CZ 2.67Å; E33-R59 IonicContact OE2-NE 2.82Å; E33-R59 PolarHBondContact OE2-NE 2.85Å; E33-R59 IonicContact OE2-NH2 2.7Å; E33-R59 PolarHBondContact OE2-NH2 2.8Å; I34-R59 HydrophobicContact CB-CB 4.18Å; I34-R59 WeakPolarHBondContact O-CD 3.13Å; L57-R59 PolarHBondContact O-N 3.01Å |
| 60 | L | 93.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -66.1 | 126.9 | 176.5 | -163.9 | 71.7 | 0 | 0 | 0 | 109.7 | I34 L47 M49 L57 L63 L83 K86 | I34-L60 HydrophobicContact CD1-CB 4.04Å; I34-L60 HydrophobicContact CD1-CD1 3.48Å; I34-L60 VanDerWaalsContact CD1-CD1 3.48Å; I34-L60 HydrophobicContact CD1-CG 4.38Å; L47-L60 HydrophobicContact CD2-CD1 4.39Å; M49-L60 HydrophobicContact CE-CD1 4.38Å; L57-L60 VanDerWaalsContact O-CB 3.24Å; L57-L60 WeakPolarHBondContact O-CB 3.28Å; L57-L60 PolarHBondContact O-N 3.37Å; L60-L63 HydrophobicContact CD1-CD1 4.34Å; L60-L83 HydrophobicContact CD2-CD2 3.84Å; L60-K86 HydrophobicContact CD2-CB 4.16Å; L60-K86 WeakPolarHBondContact O-CD 3.49Å; L60-K86 WeakPolarHBondContact O-CE 3.15Å | ||
| 61 | P | 93.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | trans | -70.3 | 170.8 | 174.2 | 30.9 | -35.4 | 0 | 0 | 0 | 111.5 | L37 N38 D39 L63 | L37-P61 HydrophobicContact CB-CG 4.01Å; N38-P61 VanDerWaalsContact C-CB 3.4Å; D39-P61 WeakPolarHBondContact OD1-CB 3.47Å; P61-L63 HydrophobicContact CG-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD2 4.02Å; P61-L63 HydrophobicContact CG-CG 4.07Å; P61-L63 PolarHBondContact O-N 2.8Å | ||
| 62 | S | 94.4 | Very high | 94.8 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 30% | 0.301 | 20% | 0.198 | S | C | . | . | trans | -74.4 | 113.9 | 173.6 | -153.2 | 0 | 0 | 0 | 0 | 109.2 | D39 N64 | D39-S62 PolarHBondContact OD1-N 2.99Å; S62-N64 PolarHBondContact OG-OD1 2.87Å | ||
| 63 | L | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -120 | 77.6 | -178.8 | -58.8 | 172.1 | 0 | 0 | 0 | 108.8 | F41 L44 L47 L60 P61 K65 L66 K86 | F41-L63 HydrophobicContact CB-CD2 3.95Å; F41-L63 WeakPolarHBondContact O-CD2 3.17Å; L44-L63 HydrophobicContact CB-CD2 4.49Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.19Å; L47-L63 HydrophobicContact CD2-CD1 4.04Å; L60-L63 HydrophobicContact CD1-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD2 4.02Å; P61-L63 HydrophobicContact CG-CG 4.07Å; P61-L63 PolarHBondContact O-N 2.8Å; L63-K65 VanDerWaalsContact C-N 3.28Å; L63-K65 PolarHBondContact O-N 2.85Å; L63-L66 HydrophobicContact CB-CB 3.84Å; L63-L66 HydrophobicContact CB-CD2 4.4Å; L63-L66 HydrophobicContact CD1-CD2 4.07Å; L63-L66 WeakPolarHBondContact O-CB 3.3Å; L63-L66 PolarHBondContact O-N 3.28Å; L63-K86 CarbonylContact C-O 3.59Å; L63-K86 PolarHBondContact N-O 2.68Å | ||
| 64 | N | 93.3 | Very high | 95 | Very high | 88 Ų | 88 | 37.1 Ų | 37.1 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.4 | -171.2 | -62.4 | -25.4 | 0 | 0 | 0 | 113.5 | S62 N89 | S62-N64 PolarHBondContact OG-OD1 2.87Å; N64-N89 PolarHBondContact O-ND2 3.04Å |
| 65 | K | 95.4 | Very high | 95.1 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 35% | 0.352 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -6.8 | 177.1 | -74.6 | -174.2 | 163.9 | 179.3 | 0 | 113.5 | K42 E43 L44 E45 L63 R67 | K42-K65 WeakPolarHBondContact O-CD 3.34Å; E43-K65 IonicContact OE1-NZ 2.58Å; E43-K65 PolarHBondContact OE1-NZ 2.93Å; E43-K65 IonicContact OE2-NZ 3.88Å; E43-K65 PolarHBondContact OE2-NZ 2.98Å; L44-K65 CarbonylContact O-C 3.59Å; E45-K65 HydrophobicContact CG-CB 4.46Å; L63-K65 VanDerWaalsContact C-N 3.28Å; L63-K65 PolarHBondContact O-N 2.85Å; K65-R67 PolarHBondContact O-N 3.18Å; K65-R67 PolarHBondContact O-NH1 3.01Å |
| 66 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -64.6 | 121.7 | -176.1 | -164.7 | 76.3 | 0 | 0 | 0 | 110.7 | L44 E45 L47 L63 L69 C87 N89 L90 | L44-L66 HydrophobicContact CD2-CD1 4.16Å; L44-L66 HydrophobicContact CG-CD1 4.05Å; L44-L66 WeakPolarHBondContact O-CA 3.48Å; L44-L66 PolarHBondContact O-N 2.78Å; E45-L66 WeakPolarHBondContact O-CD1 3.48Å; L47-L66 HydrophobicContact CB-CD1 3.66Å; L47-L66 HydrophobicContact CB-CD2 4.38Å; L63-L66 HydrophobicContact CB-CB 3.84Å; L63-L66 HydrophobicContact CB-CD2 4.4Å; L63-L66 HydrophobicContact CD1-CD2 4.07Å; L63-L66 WeakPolarHBondContact O-CB 3.3Å; L63-L66 PolarHBondContact O-N 3.28Å; L66-L69 HydrophobicContact CD2-CB 4.1Å; L66-L69 HydrophobicContact CD2-CD1 4.32Å; L66-L69 HydrophobicContact CD2-CD2 4.35Å; L66-L69 HydrophobicContact CD2-CG 4.49Å; L66-C87 HydrophobicContact CD2-CB 4.4Å; L66-N89 CarbonylContact O-C 3.23Å; L66-L90 HydrophobicContact CD2-CD1 4.06Å; L66-L90 HydrophobicContact CG-CD1 4.14Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3Å | ||
| 67 | R | 96.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 26% | 0.26 | 21% | 0.213 | S | C | . | . | trans | -104.2 | -39.5 | 177.3 | -65 | -49.7 | -164.5 | -81.5 | 3.4 | 111.7 | E45 K65 N89 L90 T91 Y92 | E45-R67 PolarHBondContact O-N 3.44Å; K65-R67 PolarHBondContact O-N 3.18Å; K65-R67 PolarHBondContact O-NH1 3.01Å; R67-N89 WeakPolarHBondContact CD-O 3.46Å; R67-L90 VanDerWaalsContact O-CD1 3.3Å; R67-L90 WeakPolarHBondContact O-CD1 3.25Å; R67-T91 PolarHBondContact O-N 2.91Å; R67-T91 PolarHBondContact O-OG1 3.06Å; R67-T91 VanDerWaalsContact O-OG1 3.09Å; R67-Y92 PolarHBondContact O-N 3.27Å | ||
| 68 | K | 97.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125 | -174.1 | -178.5 | 172.9 | -173.1 | 172.1 | 0 | 111.9 | E45 F46 L47 E70 Y92 | E45-K68 PolarHBondContact O-N 2.83Å; F46-K68 WeakPolarHBondContact CA-O 3.24Å; F46-K68 HydrophobicContact CD2-CB 3.77Å; F46-K68 HydrophobicContact CD2-CD 3.66Å; F46-K68 HydrophobicContact CD2-CG 3.53Å; F46-K68 HydrophobicContact CE2-CB 4.44Å; F46-K68 HydrophobicContact CE2-CD 3.67Å; F46-K68 HydrophobicContact CE2-CG 3.71Å; L47-K68 PolarHBondContact N-O 3.01Å; K68-E70 WeakPolarHBondContact CE-OE1 3.05Å; K68-E70 IonicContact NZ-OE1 2.74Å; K68-Y92 HydrophobicContact CD-CD1 4.14Å; K68-Y92 HydrophobicContact CD-CG 4.38Å; K68-Y92 HydrophobicContact CG-CD1 3.56Å; K68-Y92 HydrophobicContact CG-CE1 4.3Å; K68-Y92 HydrophobicContact CG-CG 4Å |
| 69 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.8 | -178.3 | 179.5 | 56.1 | 0 | 0 | 0 | 111.2 | L47 M49 L66 L71 L83 L90 Y92 L93 N94 | L47-L69 HydrophobicContact CB-CD1 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.98Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.21Å; M49-L69 HydrophobicContact CE-CD1 4.46Å; L66-L69 HydrophobicContact CD2-CB 4.1Å; L66-L69 HydrophobicContact CD2-CD1 4.32Å; L66-L69 HydrophobicContact CD2-CD2 4.35Å; L66-L69 HydrophobicContact CD2-CG 4.49Å; L69-L71 HydrophobicContact CD1-CD1 4.48Å; L69-L71 HydrophobicContact CD1-CD2 4.01Å; L69-L71 HydrophobicContact CD1-CG 4.04Å; L69-L71 HydrophobicContact CD2-CD1 3.92Å; L69-L71 HydrophobicContact CD2-CG 4.33Å; L69-L71 HydrophobicContact CG-CD1 4.03Å; L69-L71 HydrophobicContact CG-CD2 4.4Å; L69-L71 HydrophobicContact CG-CG 3.9Å; L69-L83 HydrophobicContact CD2-CD2 3.68Å; L69-L90 HydrophobicContact CB-CD1 3.61Å; L69-L90 HydrophobicContact CB-CD2 4.2Å; L69-L90 HydrophobicContact CD2-CD2 4.41Å; L69-Y92 PolarHBondContact N-O 3.31Å; L69-L93 HydrophobicContact CB-CD1 4.19Å; L69-L93 HydrophobicContact CD2-CD1 4.07Å; L69-L93 HydrophobicContact CG-CD1 4.08Å; L69-L93 WeakPolarHBondContact O-CA 3.19Å; L69-N94 PolarHBondContact O-N 2.93Å |
| 70 | E | 97.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.6 | 177.2 | -60.3 | -79.2 | 175.6 | 0 | 0 | 110 | F46 L47 S48 M49 K68 Y92 N94 | F46-E70 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CZ-CG 4.1Å; L47-E70 PolarHBondContact O-N 3.09Å; S48-E70 WeakPolarHBondContact OG-CB 3.21Å; M49-E70 PolarHBondContact N-O 2.97Å; K68-E70 WeakPolarHBondContact CE-OE1 3.05Å; K68-E70 IonicContact NZ-OE1 2.74Å; E70-Y92 WeakPolarHBondContact OE1-CE1 3.34Å; E70-N94 WeakPolarHBondContact OE2-CB 3.37Å; E70-N94 VanDerWaalsContact OE2-CG 3.26Å; E70-N94 PolarHBondContact OE2-ND2 2.94Å |
| 71 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -125.3 | 26.1 | 179.4 | -62.4 | 172.6 | 0 | 0 | 0 | 111.5 | M49 L54 L57 L69 N74 I76 L93 N94 L95 N98 | M49-L71 HydrophobicContact CB-CD2 4.14Å; M49-L71 HydrophobicContact CE-CD2 3.53Å; L54-L71 HydrophobicContact CD2-CD2 4.12Å; L57-L71 HydrophobicContact CD1-CD1 4.18Å; L57-L71 HydrophobicContact CD2-CD1 3.79Å; L57-L71 HydrophobicContact CD2-CD2 4.35Å; L69-L71 HydrophobicContact CD1-CD1 4.48Å; L69-L71 HydrophobicContact CD1-CD2 4.01Å; L69-L71 HydrophobicContact CD1-CG 4.04Å; L69-L71 HydrophobicContact CD2-CD1 3.92Å; L69-L71 HydrophobicContact CD2-CG 4.33Å; L69-L71 HydrophobicContact CG-CD1 4.03Å; L69-L71 HydrophobicContact CG-CD2 4.4Å; L69-L71 HydrophobicContact CG-CG 3.9Å; L71-N74 VanDerWaalsContact C-ND2 3.3Å; L71-N74 PolarHBondContact O-ND2 3.13Å; L71-I76 HydrophobicContact CB-CD1 4.12Å; L71-I76 HydrophobicContact CD1-CD1 3.95Å; L71-I76 HydrophobicContact CG-CD1 4.48Å; L71-L93 HydrophobicContact CD1-CD1 4.22Å; L71-N94 CarbonylContact C-O 3.38Å; L71-N94 WeakPolarHBondContact CA-O 3.48Å; L71-N94 WeakPolarHBondContact CB-O 3.5Å; L71-N94 PolarHBondContact N-O 2.95Å; L71-L95 HydrophobicContact CB-CD2 4.1Å; L71-L95 HydrophobicContact CD1-CD2 3.92Å; L71-N98 PolarHBondContact O-ND2 2.9Å | ||
| 72 | S | 96.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 39 Ų | 39 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 151.1 | -178 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | A50 N51 N74 S96 | A50-S72 CarbonylContact C-O 3.38Å; A50-S72 VanDerWaalsContact CA-O 3.29Å; A50-S72 WeakPolarHBondContact CA-O 3.18Å; A50-S72 VanDerWaalsContact CB-OG 3.3Å; A50-S72 WeakPolarHBondContact CB-OG 3.38Å; N51-S72 PolarHBondContact N-O 3.4Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 2.78Å; S72-N74 PolarHBondContact O-ND2 3.35Å; S72-S96 CarbonylContact C-O 3.51Å; S72-S96 VanDerWaalsContact CA-O 3.24Å; S72-S96 WeakPolarHBondContact CA-O 3.45Å; S72-S96 VanDerWaalsContact CB-OG 3.25Å; S72-S96 WeakPolarHBondContact CB-OG 3.4Å |
| 73 | D | 96.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 37 Ų | 37 | 49% | 0.492 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40.8 | 176.6 | -65.1 | -41.5 | 0 | 0 | 0 | 114.4 | N51 S96 | N51-D73 WeakPolarHBondContact CA-O 3.37Å; N51-D73 HydrophobicContact CB-CB 4.08Å; D73-S96 PolarHBondContact N-O 2.85Å |
| 74 | N | 96.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -107.9 | -171 | 172.6 | -75.3 | -64.3 | 0 | 0 | 0 | 111.4 | M49 V52 E53 L54 L71 S72 I76 N98 | M49-N74 PolarHBondContact O-ND2 2.98Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.5Å; V52-N74 PolarHBondContact N-OD1 3.02Å; V52-N74 VanDerWaalsContact N-OD1 3.09Å; E53-N74 PolarHBondContact N-OD1 3.38Å; L54-N74 HydrophobicContact CB-CB 4.08Å; L54-N74 WeakPolarHBondContact CB-OD1 3.02Å; L54-N74 PolarHBondContact N-OD1 3.15Å; L71-N74 VanDerWaalsContact C-ND2 3.3Å; L71-N74 PolarHBondContact O-ND2 3.13Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 2.78Å; S72-N74 PolarHBondContact O-ND2 3.35Å; N74-I76 HydrophobicContact CB-CD1 4.37Å; N74-I76 HydrophobicContact CB-CG1 4.22Å; N74-N98 WeakPolarHBondContact CA-OD1 3.25Å; N74-N98 WeakPolarHBondContact CB-OD1 3.27Å; N74-N98 PolarHBondContact O-OD1 3.05Å | ||
| 75 | I | 95.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 41 Ų | 41 | 44% | 0.441 | 22% | 0.221 | S | C | . | . | trans | -117.2 | 28.7 | -179.7 | 58 | 170.8 | 0 | 0 | 0 | 112.1 | L54 S77 N98 | L54-I75 CarbonylContact O-C 3.42Å; L54-I75 WeakPolarHBondContact O-CA 3.2Å; L54-I75 WeakPolarHBondContact O-CG1 3.38Å; L54-I75 PolarHBondContact O-N 3.37Å; I75-S77 PolarHBondContact O-N 3.15Å; I75-N98 PolarHBondContact N-OD1 3.42Å | ||
| 76 | I | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -69.3 | 129.6 | 179.8 | -56.3 | 169.5 | 0 | 0 | 0 | 109 | L54 L57 L71 N74 L80 L95 N98 K99 | L54-I76 HydrophobicContact CD2-CD1 4.27Å; L54-I76 PolarHBondContact O-N 3.23Å; L57-I76 HydrophobicContact CD1-CD1 4.47Å; L57-I76 HydrophobicContact CD2-CD1 4.34Å; L57-I76 HydrophobicContact CG-CD1 4.36Å; L71-I76 HydrophobicContact CB-CD1 4.12Å; L71-I76 HydrophobicContact CD1-CD1 3.95Å; L71-I76 HydrophobicContact CG-CD1 4.48Å; N74-I76 HydrophobicContact CB-CD1 4.37Å; N74-I76 HydrophobicContact CB-CG1 4.22Å; I76-L80 HydrophobicContact CG2-CD2 4.11Å; I76-L95 HydrophobicContact CD1-CD2 4.16Å; I76-N98 HydrophobicContact CB-CB 4.38Å; I76-N98 VanDerWaalsContact CB-OD1 3.27Å; I76-N98 WeakPolarHBondContact CB-OD1 3.4Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.29Å; I76-N98 PolarHBondContact N-OD1 3.35Å; I76-K99 CarbonylContact O-C 3.38Å; I76-K99 WeakPolarHBondContact O-CA 3.37Å; I76-K99 PolarHBondContact O-N 3.49Å | ||
| 77 | S | 94.7 | Very high | 95.3 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | trans | -122.9 | -2.3 | 176.8 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | I75 K99 | I75-S77 PolarHBondContact O-N 3.15Å; S77-K99 WeakPolarHBondContact CA-O 3.4Å; S77-K99 WeakPolarHBondContact CB-O 3.14Å | ||
| 78 | G | 93.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 24% | 0.237 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 176.4 | -167.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L80 | G78-L80 VanDerWaalsContact C-N 3.31Š|
| 79 | G | 92.6 | Very high | 95.2 | Very high | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | trans | 74 | 22.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E81 V82 | G79-E81 WeakPolarHBondContact CA-OE2 3.4Å; G79-E81 PolarHBondContact O-N 2.79Å; G79-V82 PolarHBondContact O-N 3.4Å | ||
| 80 | L | 94.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -18.4 | -177.7 | -60.4 | -174.3 | 0 | 0 | 0 | 112.2 | L57 I76 G78 V82 L83 L95 I100 T105 A108 L109 | L57-L80 HydrophobicContact CD1-CD2 4Å; I76-L80 HydrophobicContact CG2-CD2 4.11Å; G78-L80 VanDerWaalsContact C-N 3.31Å; L80-V82 PolarHBondContact O-N 2.58Å; L80-V82 VanDerWaalsContact O-N 3.16Å; L80-L83 HydrophobicContact CD2-CD1 4.29Å; L80-L83 VanDerWaalsContact O-CB 3.29Å; L80-L83 WeakPolarHBondContact O-CB 3.38Å; L80-L83 PolarHBondContact O-N 3.21Å; L80-L95 HydrophobicContact CD1-CD1 3.93Å; L80-L95 HydrophobicContact CD2-CD1 4.04Å; L80-L95 HydrophobicContact CD2-CD2 4.25Å; L80-I100 HydrophobicContact CD1-CD1 4.39Å; L80-T105 HydrophobicContact CD1-CG2 3.94Å; L80-T105 HydrophobicContact CG-CG2 4.27Å; L80-A108 HydrophobicContact CB-CB 4.12Å; L80-L109 HydrophobicContact CB-CD2 3.79Å; L80-L109 HydrophobicContact CB-CG 4.38Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.06Å; L80-L109 HydrophobicContact CD1-CG 4.07Å; L80-L109 HydrophobicContact CG-CD2 4.45Å |
| 81 | E | 94.1 | Very high | 95.1 | Very high | 105 Ų | 105 | 39 Ų | 39 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.6 | -28.2 | 175.8 | 61.9 | -84.7 | -164.7 | 0 | 0 | 112.8 | G79 L83 A84 A108 | G79-E81 WeakPolarHBondContact CA-OE2 3.4Å; G79-E81 PolarHBondContact O-N 2.79Å; E81-L83 PolarHBondContact O-N 3.41Å; E81-A84 PolarHBondContact O-N 3.23Å; E81-A108 HydrophobicContact CB-CB 4.07Å |
| 82 | V | 94.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -31.5 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | G79 L80 A84 E85 K86 | G79-V82 PolarHBondContact O-N 3.4Å; L80-V82 PolarHBondContact O-N 2.58Å; L80-V82 VanDerWaalsContact O-N 3.16Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.18Å; V82-E85 PolarHBondContact O-N 3Å; V82-K86 HydrophobicContact CG1-CG 3.62Å; V82-K86 WeakPolarHBondContact O-CB 3.37Å; V82-K86 VanDerWaalsContact O-CG 3.32Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 3.23Å |
| 83 | L | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 179.6 | -63.9 | 175.5 | 0 | 0 | 0 | 111.5 | L57 L60 L69 L80 E81 E85 K86 C87 L93 L109 L112 | L57-L83 HydrophobicContact CD1-CD1 4.11Å; L57-L83 HydrophobicContact CD1-CD2 3.91Å; L57-L83 HydrophobicContact CD1-CG 3.96Å; L60-L83 HydrophobicContact CD2-CD2 3.84Å; L69-L83 HydrophobicContact CD2-CD2 3.68Å; L80-L83 HydrophobicContact CD2-CD1 4.29Å; L80-L83 VanDerWaalsContact O-CB 3.29Å; L80-L83 WeakPolarHBondContact O-CB 3.38Å; L80-L83 PolarHBondContact O-N 3.21Å; E81-L83 PolarHBondContact O-N 3.41Å; L83-E85 VanDerWaalsContact C-N 3.27Å; L83-E85 PolarHBondContact O-N 2.76Å; L83-K86 PolarHBondContact O-N 3.33Å; L83-C87 CarbonylContact O-C 3.41Å; L83-C87 WeakPolarHBondContact O-CA 3.29Å; L83-C87 PolarHBondContact O-N 3.44Å; L83-L93 HydrophobicContact CD1-CD1 4.24Å; L83-L93 HydrophobicContact CD1-CD2 3.68Å; L83-L109 HydrophobicContact CD1-CD2 4.06Å; L83-L112 HydrophobicContact CB-CD1 4.07Å; L83-L112 HydrophobicContact CB-CD2 4.44Å |
| 84 | A | 92.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -32.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | E81 V82 N111 L112 | E81-A84 PolarHBondContact O-N 3.23Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.18Å; A84-N111 HydrophobicContact CB-CB 3.61Å; A84-L112 HydrophobicContact CB-CD2 4.29Å; A84-L112 HydrophobicContact CB-CG 4.35Å |
| 85 | E | 92.9 | Very high | 95.2 | Very high | 148 Ų | 148 | 36.3 Ų | 36.3 | 69% | 0.692 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -81.6 | -36.1 | 177.7 | -62.8 | -174.1 | 172.5 | 0 | 0 | 112.8 | V82 L83 | V82-E85 PolarHBondContact O-N 3Å; L83-E85 VanDerWaalsContact C-N 3.27Å; L83-E85 PolarHBondContact O-N 2.76Å |
| 86 | K | 94.5 | Very high | 95.3 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -95.6 | -30.6 | -171.1 | -63.4 | -56.7 | -176.3 | -175 | 0 | 114.1 | L60 L63 V82 L83 | L60-K86 HydrophobicContact CD2-CB 4.16Å; L60-K86 WeakPolarHBondContact O-CD 3.49Å; L60-K86 WeakPolarHBondContact O-CE 3.15Å; L63-K86 CarbonylContact C-O 3.59Å; L63-K86 PolarHBondContact N-O 2.68Å; V82-K86 HydrophobicContact CG1-CG 3.62Å; V82-K86 WeakPolarHBondContact O-CB 3.37Å; V82-K86 VanDerWaalsContact O-CG 3.32Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 3.23Å; L83-K86 PolarHBondContact O-N 3.33Å |
| 87 | C | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -132.6 | 63.1 | -174.1 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | L66 L83 N89 L90 L112 | L66-C87 HydrophobicContact CD2-CB 4.4Å; L83-C87 CarbonylContact O-C 3.41Å; L83-C87 WeakPolarHBondContact O-CA 3.29Å; L83-C87 PolarHBondContact O-N 3.44Å; C87-N89 PolarHBondContact O-N 2.99Å; C87-L90 HydrophobicContact CB-CB 4.29Å; C87-L90 WeakPolarHBondContact O-CB 3.13Å; C87-L90 PolarHBondContact O-N 2.88Å; C87-L112 WeakPolarHBondContact O-CD2 3.32Å | ||
| 88 | P | 94.7 | Very high | 95.4 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 31% | 0.312 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.2 | -172.3 | 26.9 | -36.4 | 0 | 0 | 0 | 114.1 | N114 | P88-N114 PolarHBondContact O-ND2 3.38Š|
| 89 | N | 95.3 | Very high | 95.5 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 15.5 | -178.4 | -64.5 | -40.2 | 0 | 0 | 0 | 113.5 | N64 L66 R67 C87 T91 N114 | N64-N89 PolarHBondContact O-ND2 3.04Å; L66-N89 CarbonylContact O-C 3.23Å; R67-N89 WeakPolarHBondContact CD-O 3.46Å; C87-N89 PolarHBondContact O-N 2.99Å; N89-T91 PolarHBondContact O-N 2.99Å; N89-N114 PolarHBondContact OD1-ND2 3.41Å |
| 90 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -65.7 | 125.9 | -179.4 | -163.3 | 73.9 | 0 | 0 | 0 | 111.1 | L66 R67 L69 C87 L93 L112 N114 L115 | L66-L90 HydrophobicContact CD2-CD1 4.06Å; L66-L90 HydrophobicContact CG-CD1 4.14Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3Å; R67-L90 VanDerWaalsContact O-CD1 3.3Å; R67-L90 WeakPolarHBondContact O-CD1 3.25Å; L69-L90 HydrophobicContact CB-CD1 3.61Å; L69-L90 HydrophobicContact CB-CD2 4.2Å; L69-L90 HydrophobicContact CD2-CD2 4.41Å; C87-L90 HydrophobicContact CB-CB 4.29Å; C87-L90 WeakPolarHBondContact O-CB 3.13Å; C87-L90 PolarHBondContact O-N 2.88Å; L90-L93 HydrophobicContact CD2-CB 3.93Å; L90-L93 HydrophobicContact CD2-CD1 4.18Å; L90-L93 HydrophobicContact CD2-CD2 4.4Å; L90-L93 HydrophobicContact CD2-CG 4.4Å; L90-L112 HydrophobicContact CB-CD2 4.37Å; L90-L112 HydrophobicContact CD2-CD1 4.45Å; L90-N114 CarbonylContact O-C 3.53Å; L90-N114 VanDerWaalsContact O-C 3.23Å; L90-L115 HydrophobicContact CD2-CD1 4.34Å; L90-L115 HydrophobicContact CG-CD1 4.39Å; L90-L115 VanDerWaalsContact O-CA 3.29Å; L90-L115 WeakPolarHBondContact O-CA 3.36Å; L90-L115 PolarHBondContact O-N 3.12Å | ||
| 91 | T | 96.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 16% | 0.16 | 19% | 0.187 | C | C | . | . | trans | -106.7 | -29.7 | 179.2 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | R67 N89 N114 K116 S117 | R67-T91 PolarHBondContact O-N 2.91Å; R67-T91 PolarHBondContact O-OG1 3.06Å; R67-T91 VanDerWaalsContact O-OG1 3.09Å; N89-T91 PolarHBondContact O-N 2.99Å; T91-N114 WeakPolarHBondContact CA-O 3.38Å; T91-K116 PolarHBondContact O-N 3Å; T91-S117 PolarHBondContact O-N 3.1Å | ||
| 92 | Y | 97.1 | Very high | 95.6 | Very high | 45 Ų | 45 | 36.7 Ų | 36.7 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130 | 179 | -178.9 | -77.6 | 0 | 0 | 0 | 111.3 | R67 K68 L69 E70 N94 S117 | R67-Y92 PolarHBondContact O-N 3.27Å; K68-Y92 HydrophobicContact CD-CD1 4.14Å; K68-Y92 HydrophobicContact CD-CG 4.38Å; K68-Y92 HydrophobicContact CG-CD1 3.56Å; K68-Y92 HydrophobicContact CG-CE1 4.3Å; K68-Y92 HydrophobicContact CG-CG 4Å; L69-Y92 PolarHBondContact N-O 3.31Å; E70-Y92 WeakPolarHBondContact OE1-CE1 3.34Å; Y92-N94 HydrophobicContact CE1-CB 3.78Å; Y92-S117 WeakPolarHBondContact CA-O 3.28Å; Y92-S117 WeakPolarHBondContact CD2-OG 3.39Å; Y92-S117 WeakPolarHBondContact CE2-OG 3.41Å |
| 93 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 122.6 | 175.9 | 178.1 | 58.1 | 0 | 0 | 0 | 111 | L69 L71 L83 L90 L95 L109 L115 S117 L118 D119 | L69-L93 HydrophobicContact CB-CD1 4.19Å; L69-L93 HydrophobicContact CD2-CD1 4.07Å; L69-L93 HydrophobicContact CG-CD1 4.08Å; L69-L93 WeakPolarHBondContact O-CA 3.19Å; L71-L93 HydrophobicContact CD1-CD1 4.22Å; L83-L93 HydrophobicContact CD1-CD1 4.24Å; L83-L93 HydrophobicContact CD1-CD2 3.68Å; L90-L93 HydrophobicContact CD2-CB 3.93Å; L90-L93 HydrophobicContact CD2-CD1 4.18Å; L90-L93 HydrophobicContact CD2-CD2 4.4Å; L90-L93 HydrophobicContact CD2-CG 4.4Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.45Å; L93-L95 HydrophobicContact CD1-CG 4.08Å; L93-L95 HydrophobicContact CD2-CD1 3.7Å; L93-L95 HydrophobicContact CD2-CG 4.19Å; L93-L95 HydrophobicContact CG-CD1 4Å; L93-L95 HydrophobicContact CG-CG 3.94Å; L93-L109 HydrophobicContact CD2-CD1 4.12Å; L93-L109 HydrophobicContact CD2-CD2 3.88Å; L93-L115 HydrophobicContact CB-CD1 3.74Å; L93-S117 PolarHBondContact N-O 2.92Å; L93-L118 HydrophobicContact CB-CD1 4.21Å; L93-L118 HydrophobicContact CD2-CD1 4.11Å; L93-L118 HydrophobicContact CG-CD1 4.12Å; L93-L118 WeakPolarHBondContact O-CA 3.29Å; L93-D119 PolarHBondContact O-N 3.41Å |
| 94 | N | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.7 | 171.1 | -169.9 | -16.2 | 0 | 0 | 0 | 111 | L69 E70 L71 Y92 S96 D119 | L69-N94 PolarHBondContact O-N 2.93Å; E70-N94 WeakPolarHBondContact OE2-CB 3.37Å; E70-N94 VanDerWaalsContact OE2-CG 3.26Å; E70-N94 PolarHBondContact OE2-ND2 2.94Å; L71-N94 CarbonylContact C-O 3.38Å; L71-N94 WeakPolarHBondContact CA-O 3.48Å; L71-N94 WeakPolarHBondContact CB-O 3.5Å; L71-N94 PolarHBondContact N-O 2.95Å; Y92-N94 HydrophobicContact CE1-CB 3.78Å; N94-S96 WeakPolarHBondContact OD1-CB 3.48Å; N94-S96 PolarHBondContact OD1-N 2.92Å; N94-S96 PolarHBondContact OD1-OG 2.6Å; N94-D119 HydrophobicContact CB-CB 4.23Å |
| 95 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -118.1 | 17 | 176.2 | -72.7 | 166.9 | 0 | 0 | 0 | 111.4 | L71 I76 L80 L93 N98 I100 L109 L118 D119 L120 C123 | L71-L95 HydrophobicContact CB-CD2 4.1Å; L71-L95 HydrophobicContact CD1-CD2 3.92Å; I76-L95 HydrophobicContact CD1-CD2 4.16Å; L80-L95 HydrophobicContact CD1-CD1 3.93Å; L80-L95 HydrophobicContact CD2-CD1 4.04Å; L80-L95 HydrophobicContact CD2-CD2 4.25Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.45Å; L93-L95 HydrophobicContact CD1-CG 4.08Å; L93-L95 HydrophobicContact CD2-CD1 3.7Å; L93-L95 HydrophobicContact CD2-CG 4.19Å; L93-L95 HydrophobicContact CG-CD1 4Å; L93-L95 HydrophobicContact CG-CG 3.94Å; L95-N98 VanDerWaalsContact C-ND2 3.31Å; L95-N98 VanDerWaalsContact O-CB 3.27Å; L95-N98 WeakPolarHBondContact O-CB 3.44Å; L95-N98 PolarHBondContact O-N 3.17Å; L95-N98 PolarHBondContact O-ND2 3.13Å; L95-I100 HydrophobicContact CB-CD1 3.84Å; L95-I100 HydrophobicContact CD1-CD1 3.82Å; L95-I100 HydrophobicContact CD2-CD1 4.48Å; L95-I100 HydrophobicContact CG-CD1 4.27Å; L95-L109 HydrophobicContact CD1-CD1 4.46Å; L95-L118 HydrophobicContact CD1-CD1 4.32Å; L95-D119 CarbonylContact C-O 3.56Å; L95-D119 WeakPolarHBondContact CA-O 3.43Å; L95-D119 PolarHBondContact N-O 3.16Å; L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.25Å; L95-C123 PolarHBondContact O-SG 3.02Å | ||
| 96 | S | 97.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 35 Ų | 35 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 147.3 | 179.4 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | S72 D73 N94 N98 D119 F121 | S72-S96 CarbonylContact C-O 3.51Å; S72-S96 VanDerWaalsContact CA-O 3.24Å; S72-S96 WeakPolarHBondContact CA-O 3.45Å; S72-S96 VanDerWaalsContact CB-OG 3.25Å; S72-S96 WeakPolarHBondContact CB-OG 3.4Å; D73-S96 PolarHBondContact N-O 2.85Å; N94-S96 WeakPolarHBondContact OD1-CB 3.48Å; N94-S96 PolarHBondContact OD1-N 2.92Å; N94-S96 PolarHBondContact OD1-OG 2.6Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-N98 VanDerWaalsContact O-N 3.17Å; S96-N98 PolarHBondContact O-ND2 3.21Å; S96-D119 PolarHBondContact N-O 3.13Å; S96-F121 CarbonylContact C-O 3.55Å; S96-F121 WeakPolarHBondContact CA-O 3.43Å; S96-F121 WeakPolarHBondContact CB-O 3.5Å |
| 97 | G | 96.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 8.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | F121 | G97-F121 PolarHBondContact N-O 3.33Š|
| 98 | N | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -85.8 | -177.5 | 176.7 | -78 | -83.4 | 0 | 0 | 0 | 113.3 | L71 N74 I75 I76 L95 S96 I100 | L71-N98 PolarHBondContact O-ND2 2.9Å; N74-N98 WeakPolarHBondContact CA-OD1 3.25Å; N74-N98 WeakPolarHBondContact CB-OD1 3.27Å; N74-N98 PolarHBondContact O-OD1 3.05Å; I75-N98 PolarHBondContact N-OD1 3.42Å; I76-N98 HydrophobicContact CB-CB 4.38Å; I76-N98 VanDerWaalsContact CB-OD1 3.27Å; I76-N98 WeakPolarHBondContact CB-OD1 3.4Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.29Å; I76-N98 PolarHBondContact N-OD1 3.35Å; L95-N98 VanDerWaalsContact C-ND2 3.31Å; L95-N98 VanDerWaalsContact O-CB 3.27Å; L95-N98 WeakPolarHBondContact O-CB 3.44Å; L95-N98 PolarHBondContact O-N 3.17Å; L95-N98 PolarHBondContact O-ND2 3.13Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-N98 VanDerWaalsContact O-N 3.17Å; S96-N98 PolarHBondContact O-ND2 3.21Å; N98-I100 HydrophobicContact CB-CD1 4.44Å; N98-I100 HydrophobicContact CB-CG1 4.35Å |
| 99 | K | 95.9 | Very high | 95.2 | Very high | 99 Ų | 99 | 35.3 Ų | 35.3 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | trans | -101.7 | 40 | -177.4 | -58 | -55.1 | 178.4 | -158.4 | 0 | 112.7 | I76 S77 | I76-K99 CarbonylContact O-C 3.38Å; I76-K99 WeakPolarHBondContact O-CA 3.37Å; I76-K99 PolarHBondContact O-N 3.49Å; S77-K99 WeakPolarHBondContact CA-O 3.4Å; S77-K99 WeakPolarHBondContact CB-O 3.14Å | ||
| 100 | I | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -82.9 | 120 | 177.3 | -58.6 | 170.3 | 0 | 0 | 0 | 108.6 | L80 L95 N98 T105 V106 L120 C123 E124 I125 | L80-I100 HydrophobicContact CD1-CD1 4.39Å; L95-I100 HydrophobicContact CB-CD1 3.84Å; L95-I100 HydrophobicContact CD1-CD1 3.82Å; L95-I100 HydrophobicContact CD2-CD1 4.48Å; L95-I100 HydrophobicContact CG-CD1 4.27Å; N98-I100 HydrophobicContact CB-CD1 4.44Å; N98-I100 HydrophobicContact CB-CG1 4.35Å; I100-T105 HydrophobicContact CG2-CG2 4.18Å; I100-V106 HydrophobicContact CG2-CG2 3.81Å; I100-L120 HydrophobicContact CD1-CD2 3.54Å; I100-C123 HydrophobicContact CB-CB 4.24Å; I100-E124 PolarHBondContact O-N 3.35Å; I100-I125 HydrophobicContact CG2-CB 4.38Å; I100-I125 HydrophobicContact CG2-CD1 4.3Å; I100-I125 HydrophobicContact CG2-CG2 4.21Å; I100-I125 PolarHBondContact O-N 2.91Å | ||
| 101 | K | 93.8 | Very high | 95 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | trans | -113.1 | -42.1 | -174 | -51.9 | -171.2 | -177.4 | -127 | 0 | 113.1 | E124 | K101-E124 HydrophobicContact CB-CB 4.32Å; K101-E124 WeakPolarHBondContact CD-OE2 3.18Å; K101-E124 VanDerWaalsContact CE-CD 3.43Å; K101-E124 WeakPolarHBondContact CE-OE1 3.24Å; K101-E124 VanDerWaalsContact CE-OE2 3.23Å; K101-E124 WeakPolarHBondContact CE-OE2 3.49Å; K101-E124 HydrophobicContact CG-CB 3.95Å; K101-E124 HydrophobicContact CG-CG 4.34Å; K101-E124 IonicContact NZ-OE1 2.99Å; K101-E124 PolarHBondContact NZ-OE1 2.77Å; K101-E124 IonicContact NZ-OE2 2.85Å; K101-E124 PolarHBondContact NZ-OE2 3.44Å | ||
| 102 | D | 92.1 | Very high | 94.9 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | trans | -113.5 | 147 | -166.8 | -58.3 | -68.3 | 0 | 0 | 0 | 111.7 | S104 T105 | D102-S104 WeakPolarHBondContact CB-OG 3.39Å; D102-S104 PolarHBondContact O-N 3.25Å; D102-T105 WeakPolarHBondContact O-CB 3.27Å; D102-T105 PolarHBondContact O-N 2.87Å; D102-T105 VanDerWaalsContact O-N 3.13Å | ||
| 103 | L | 93.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 44 Ų | 44 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -30.4 | 174 | -72.8 | 167.4 | 0 | 0 | 0 | 112.5 | T105 V106 E107 I125 L128 I135 L138 | L103-T105 PolarHBondContact O-N 2.85Å; L103-V106 PolarHBondContact O-N 2.86Å; L103-E107 PolarHBondContact O-N 3.06Å; L103-I125 HydrophobicContact CD2-CD1 4.07Å; L103-I125 HydrophobicContact CG-CD1 4.46Å; L103-L128 HydrophobicContact CG-CD1 4.27Å; L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.24Å; L103-L138 HydrophobicContact CB-CD2 4.48Å; L103-L138 HydrophobicContact CD2-CD2 4.47Å |
| 104 | S | 92.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -31.1 | 176.8 | 53.5 | 0 | 0 | 0 | 0 | 113 | D102 V106 E107 | D102-S104 WeakPolarHBondContact CB-OG 3.39Å; D102-S104 PolarHBondContact O-N 3.25Å; S104-V106 VanDerWaalsContact C-N 3.33Å; S104-E107 WeakPolarHBondContact O-CB 3.4Å |
| 105 | T | 92.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 174.3 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | L80 I100 D102 L103 | L80-T105 HydrophobicContact CD1-CG2 3.94Å; L80-T105 HydrophobicContact CG-CG2 4.27Å; I100-T105 HydrophobicContact CG2-CG2 4.18Å; D102-T105 WeakPolarHBondContact O-CB 3.27Å; D102-T105 PolarHBondContact O-N 2.87Å; D102-T105 VanDerWaalsContact O-N 3.13Å; L103-T105 PolarHBondContact O-N 2.85Å |
| 106 | V | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.1 | -26.8 | -178.6 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | I100 L103 S104 A108 L109 L118 L120 I125 I135 L138 L139 | I100-V106 HydrophobicContact CG2-CG2 3.81Å; L103-V106 PolarHBondContact O-N 2.86Å; S104-V106 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 3.37Å; V106-A108 VanDerWaalsContact O-N 3.1Å; V106-L109 HydrophobicContact CG1-CD1 4.15Å; V106-L109 VanDerWaalsContact O-CB 3.28Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 3.39Å; V106-L118 HydrophobicContact CG1-CD2 4.4Å; V106-L120 HydrophobicContact CG2-CD1 4.2Å; V106-I125 HydrophobicContact CG2-CD1 3.6Å; V106-I135 HydrophobicContact CB-CD1 4.28Å; V106-I135 HydrophobicContact CG1-CD1 3.82Å; V106-I135 HydrophobicContact CG2-CD1 4.33Å; V106-L138 HydrophobicContact CB-CD2 4.49Å; V106-L139 HydrophobicContact CG1-CD1 3.62Å; V106-L139 HydrophobicContact CG1-CG 4.24Å |
| 107 | E | 93.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 52.3 Ų | 52.3 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.1 | -32.2 | 175 | -173.2 | 176.3 | -163.5 | 0 | 0 | 112.5 | L103 S104 L109 Q110 L138 | L103-E107 PolarHBondContact O-N 3.06Å; S104-E107 WeakPolarHBondContact O-CB 3.4Å; E107-L109 PolarHBondContact O-N 2.95Å; E107-L109 VanDerWaalsContact O-N 3.12Å; E107-Q110 VanDerWaalsContact O-CB 3.23Å; E107-Q110 WeakPolarHBondContact O-CB 3.23Å; E107-Q110 VanDerWaalsContact O-CG 3.24Å; E107-Q110 WeakPolarHBondContact O-CG 3.33Å; E107-Q110 PolarHBondContact O-N 3.29Å; E107-L138 HydrophobicContact CB-CD1 4.35Å; E107-L138 HydrophobicContact CB-CD2 4.16Å; E107-L138 HydrophobicContact CG-CD1 4.19Å |
| 108 | A | 91.9 | Very high | 94.5 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -58.3 | -25.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 E81 V106 Q110 | L80-A108 HydrophobicContact CB-CB 4.12Å; E81-A108 HydrophobicContact CB-CB 4.07Å; V106-A108 PolarHBondContact O-N 3.37Å; V106-A108 VanDerWaalsContact O-N 3.1Å; A108-Q110 VanDerWaalsContact C-N 3.28Å; A108-Q110 PolarHBondContact O-N 2.79Å |
| 109 | L | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -75.8 | -10.6 | 177.2 | -56.7 | -179.3 | 0 | 0 | 0 | 113.1 | L80 L83 L93 L95 V106 E107 N111 L112 L118 L139 Q141 | L80-L109 HydrophobicContact CB-CD2 3.79Å; L80-L109 HydrophobicContact CB-CG 4.38Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.06Å; L80-L109 HydrophobicContact CD1-CG 4.07Å; L80-L109 HydrophobicContact CG-CD2 4.45Å; L83-L109 HydrophobicContact CD1-CD2 4.06Å; L93-L109 HydrophobicContact CD2-CD1 4.12Å; L93-L109 HydrophobicContact CD2-CD2 3.88Å; L95-L109 HydrophobicContact CD1-CD1 4.46Å; V106-L109 HydrophobicContact CG1-CD1 4.15Å; V106-L109 VanDerWaalsContact O-CB 3.28Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 3.39Å; E107-L109 PolarHBondContact O-N 2.95Å; E107-L109 VanDerWaalsContact O-N 3.12Å; L109-N111 PolarHBondContact O-N 3.01Å; L109-L112 HydrophobicContact CB-CD1 4.49Å; L109-L112 HydrophobicContact CD2-CD1 3.73Å; L109-L112 WeakPolarHBondContact O-CB 3.09Å; L109-L112 PolarHBondContact O-N 2.88Å; L109-L118 HydrophobicContact CD1-CD1 3.99Å; L109-L118 HydrophobicContact CD1-CD2 3.91Å; L109-L139 HydrophobicContact CB-CD1 4.22Å; L109-L139 HydrophobicContact CB-CD2 4.15Å; L109-L139 HydrophobicContact CD1-CD1 4.48Å; L109-Q141 PolarHBondContact O-NE2 3.37Å |
| 110 | Q | 94.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -56.6 | -23.8 | 175.9 | -75.8 | -177.7 | -16.7 | 0 | 0 | 113.7 | E107 A108 K113 L138 L139 Q141 | E107-Q110 VanDerWaalsContact O-CB 3.23Å; E107-Q110 WeakPolarHBondContact O-CB 3.23Å; E107-Q110 VanDerWaalsContact O-CG 3.24Å; E107-Q110 WeakPolarHBondContact O-CG 3.33Å; E107-Q110 PolarHBondContact O-N 3.29Å; A108-Q110 VanDerWaalsContact C-N 3.28Å; A108-Q110 PolarHBondContact O-N 2.79Å; Q110-K113 PolarHBondContact O-NZ 3.39Å; Q110-L138 WeakPolarHBondContact CG-O 3.32Å; Q110-L138 PolarHBondContact NE2-O 3.12Å; Q110-L139 HydrophobicContact CB-CD2 4.32Å; Q110-L139 HydrophobicContact CG-CD2 3.57Å; Q110-Q141 PolarHBondContact O-NE2 3.3Å |
| 111 | N | 92.3 | Very high | 94.5 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -82.5 | -15.5 | -179.9 | -67.6 | -40.2 | 0 | 0 | 0 | 113.2 | A84 L109 K113 | A84-N111 HydrophobicContact CB-CB 3.61Å; L109-N111 PolarHBondContact O-N 3.01Å; N111-K113 PolarHBondContact O-N 2.81Å |
| 112 | L | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -78.5 | 88 | 171.9 | -68.1 | 168.9 | 0 | 0 | 0 | 109.1 | L83 A84 C87 L90 L109 N114 L115 Q141 | L83-L112 HydrophobicContact CB-CD1 4.07Å; L83-L112 HydrophobicContact CB-CD2 4.44Å; A84-L112 HydrophobicContact CB-CD2 4.29Å; A84-L112 HydrophobicContact CB-CG 4.35Å; C87-L112 WeakPolarHBondContact O-CD2 3.32Å; L90-L112 HydrophobicContact CB-CD2 4.37Å; L90-L112 HydrophobicContact CD2-CD1 4.45Å; L109-L112 HydrophobicContact CB-CD1 4.49Å; L109-L112 HydrophobicContact CD2-CD1 3.73Å; L109-L112 WeakPolarHBondContact O-CB 3.09Å; L109-L112 PolarHBondContact O-N 2.88Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.22Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CD1-CD2 4.31Å; L112-L115 PolarHBondContact O-N 3.29Å; L112-Q141 WeakPolarHBondContact O-CG 3.41Å; L112-Q141 PolarHBondContact O-NE2 2.9Å | ||
| 113 | K | 93.2 | Very high | 94.8 | Very high | 140 Ų | 140 | 51.4 Ų | 51.4 | 61% | 0.609 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -25.6 | -173.5 | -59.4 | -52 | -179.1 | -168.4 | 0 | 113.9 | Q110 N111 | Q110-K113 PolarHBondContact O-NZ 3.39Å; N111-K113 PolarHBondContact O-N 2.81Å |
| 114 | N | 94.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.5 | -178.4 | -62.3 | -37.5 | 0 | 0 | 0 | 113.2 | P88 N89 L90 T91 L112 K116 | P88-N114 PolarHBondContact O-ND2 3.38Å; N89-N114 PolarHBondContact OD1-ND2 3.41Å; L90-N114 CarbonylContact O-C 3.53Å; L90-N114 VanDerWaalsContact O-C 3.23Å; T91-N114 WeakPolarHBondContact CA-O 3.38Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.22Å; N114-K116 PolarHBondContact O-N 3.18Å |
| 115 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -69.8 | 115.6 | -177.5 | -170.2 | 71.9 | 0 | 0 | 0 | 109.9 | L90 L93 L112 L118 Q141 I142 | L90-L115 HydrophobicContact CD2-CD1 4.34Å; L90-L115 HydrophobicContact CG-CD1 4.39Å; L90-L115 VanDerWaalsContact O-CA 3.29Å; L90-L115 WeakPolarHBondContact O-CA 3.36Å; L90-L115 PolarHBondContact O-N 3.12Å; L93-L115 HydrophobicContact CB-CD1 3.74Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CD1-CD2 4.31Å; L112-L115 PolarHBondContact O-N 3.29Å; L115-L118 HydrophobicContact CD2-CB 4.48Å; L115-Q141 CarbonylContact O-C 3.55Å; L115-I142 HydrophobicContact CB-CG2 4.46Å; L115-I142 HydrophobicContact CD2-CG2 3.99Å; L115-I142 HydrophobicContact CG-CG2 4.12Å | ||
| 116 | K | 95.9 | Very high | 95.1 | Very high | 119 Ų | 119 | 49.6 Ų | 49.6 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | trans | -101.8 | -36 | -179.9 | -64.6 | -178.7 | -177.5 | 175.9 | 0 | 112.1 | T91 N114 T143 Y144 | T91-K116 PolarHBondContact O-N 3Å; N114-K116 PolarHBondContact O-N 3.18Å; K116-T143 PolarHBondContact O-N 3.24Å; K116-Y144 PolarHBondContact O-N 3.34Å | ||
| 117 | S | 96.4 | Very high | 95 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.9 | -176 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | T91 Y92 L93 Y144 | T91-S117 PolarHBondContact O-N 3.1Å; Y92-S117 WeakPolarHBondContact CA-O 3.28Å; Y92-S117 WeakPolarHBondContact CD2-OG 3.39Å; Y92-S117 WeakPolarHBondContact CE2-OG 3.41Å; L93-S117 PolarHBondContact N-O 2.92Å; S117-Y144 WeakPolarHBondContact CA-O 3.46Å |
| 118 | L | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.2 | 177.3 | 176.7 | 60.9 | 0 | 0 | 0 | 110.1 | L93 L95 V106 L109 L115 L120 L139 I142 Y144 L145 D146 | L93-L118 HydrophobicContact CB-CD1 4.21Å; L93-L118 HydrophobicContact CD2-CD1 4.11Å; L93-L118 HydrophobicContact CG-CD1 4.12Å; L93-L118 WeakPolarHBondContact O-CA 3.29Å; L95-L118 HydrophobicContact CD1-CD1 4.32Å; V106-L118 HydrophobicContact CG1-CD2 4.4Å; L109-L118 HydrophobicContact CD1-CD1 3.99Å; L109-L118 HydrophobicContact CD1-CD2 3.91Å; L115-L118 HydrophobicContact CD2-CB 4.48Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-L120 HydrophobicContact CD1-CG 4.2Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.16Å; L118-L120 HydrophobicContact CG-CD1 4.17Å; L118-L120 HydrophobicContact CG-CG 3.99Å; L118-L139 HydrophobicContact CD2-CD1 3.66Å; L118-I142 HydrophobicContact CB-CD1 4.25Å; L118-I142 HydrophobicContact CD2-CD1 4.46Å; L118-Y144 PolarHBondContact N-O 3.35Å; L118-L145 HydrophobicContact CB-CD1 4.35Å; L118-L145 HydrophobicContact CD2-CD1 4.35Å; L118-L145 HydrophobicContact CG-CD1 4.27Å; L118-L145 CarbonylContact O-C 3.5Å; L118-L145 VanDerWaalsContact O-CA 3.31Å; L118-L145 WeakPolarHBondContact O-CA 3.29Å; L118-D146 PolarHBondContact O-N 3.09Å |
| 119 | D | 97.4 | Very high | 95 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123 | 172 | -172.9 | -13.2 | 0 | 0 | 0 | 109.7 | L93 N94 L95 S96 F121 | L93-D119 PolarHBondContact O-N 3.41Å; N94-D119 HydrophobicContact CB-CB 4.23Å; L95-D119 CarbonylContact C-O 3.56Å; L95-D119 WeakPolarHBondContact CA-O 3.43Å; L95-D119 PolarHBondContact N-O 3.16Å; S96-D119 PolarHBondContact N-O 3.13Å; D119-F121 WeakPolarHBondContact OD1-CB 3.22Å; D119-F121 PolarHBondContact OD1-N 2.67Å |
| 120 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -125.6 | 15 | 178.3 | -72.4 | 171.1 | 0 | 0 | 0 | 110.7 | L95 I100 V106 L118 C123 I125 T126 Y131 I135 L145 D146 | L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.25Å; I100-L120 HydrophobicContact CD1-CD2 3.54Å; V106-L120 HydrophobicContact CG2-CD1 4.2Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-L120 HydrophobicContact CD1-CG 4.2Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.16Å; L118-L120 HydrophobicContact CG-CD1 4.17Å; L118-L120 HydrophobicContact CG-CG 3.99Å; L120-C123 WeakPolarHBondContact O-CB 3.4Å; L120-C123 PolarHBondContact O-N 3.48Å; L120-C123 VanDerWaalsContact O-N 3.13Å; L120-C123 PolarHBondContact O-SG 3.18Å; L120-C123 VanDerWaalsContact O-SG 3.35Å; L120-I125 HydrophobicContact CD1-CG2 4.48Å; L120-T126 WeakPolarHBondContact O-CG2 3.32Å; L120-Y131 WeakPolarHBondContact CB-OH 3.47Å; L120-Y131 HydrophobicContact CD1-CE2 4.32Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.4Å; L120-I135 HydrophobicContact CD1-CD1 4.17Å; L120-L145 HydrophobicContact CD1-CD1 4.39Å; L120-D146 PolarHBondContact N-OD1 2.92Å | ||
| 121 | F | 95.2 | Very high | 94.9 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 62% | 0.618 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 143.7 | -178 | -169.9 | -100.5 | 0 | 0 | 0 | 111.2 | S96 G97 D119 C123 D146 | S96-F121 CarbonylContact C-O 3.55Å; S96-F121 WeakPolarHBondContact CA-O 3.43Å; S96-F121 WeakPolarHBondContact CB-O 3.5Å; G97-F121 PolarHBondContact N-O 3.33Å; D119-F121 WeakPolarHBondContact OD1-CB 3.22Å; D119-F121 PolarHBondContact OD1-N 2.67Å; F121-C123 PolarHBondContact O-N 2.81Å; F121-C123 VanDerWaalsContact O-N 3.11Å; F121-D146 PolarHBondContact N-OD1 3.38Å |
| 122 | N | 95.1 | Very high | 95 | Very high | 110 Ų | 110 | 63.4 Ų | 63.4 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.1 | -179.5 | -165.3 | 41.7 | 0 | 0 | 0 | 114.6 | ||
| 123 | C | 96.6 | Very high | 95 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -89.5 | 163.7 | 163.6 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | L95 I100 L120 F121 I125 T126 | L95-C123 PolarHBondContact O-SG 3.02Å; I100-C123 HydrophobicContact CB-CB 4.24Å; L120-C123 WeakPolarHBondContact O-CB 3.4Å; L120-C123 PolarHBondContact O-N 3.48Å; L120-C123 VanDerWaalsContact O-N 3.13Å; L120-C123 PolarHBondContact O-SG 3.18Å; L120-C123 VanDerWaalsContact O-SG 3.35Å; F121-C123 PolarHBondContact O-N 2.81Å; F121-C123 VanDerWaalsContact O-N 3.11Å; C123-I125 VanDerWaalsContact C-N 3.27Å; C123-I125 HydrophobicContact CB-CG2 3.83Å; C123-I125 PolarHBondContact O-N 3.11Å; C123-T126 PolarHBondContact O-N 2.92Å; C123-T126 PolarHBondContact O-OG1 2.85Å |
| 124 | E | 94.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -68.2 | -30.2 | 179.1 | -67.5 | -178.9 | -134.3 | 0 | 0 | 112.2 | I100 K101 T126 N127 | I100-E124 PolarHBondContact O-N 3.35Å; K101-E124 HydrophobicContact CB-CB 4.32Å; K101-E124 WeakPolarHBondContact CD-OE2 3.18Å; K101-E124 VanDerWaalsContact CE-CD 3.43Å; K101-E124 WeakPolarHBondContact CE-OE1 3.24Å; K101-E124 VanDerWaalsContact CE-OE2 3.23Å; K101-E124 WeakPolarHBondContact CE-OE2 3.49Å; K101-E124 HydrophobicContact CG-CB 3.95Å; K101-E124 HydrophobicContact CG-CG 4.34Å; K101-E124 IonicContact NZ-OE1 2.99Å; K101-E124 PolarHBondContact NZ-OE1 2.77Å; K101-E124 IonicContact NZ-OE2 2.85Å; K101-E124 PolarHBondContact NZ-OE2 3.44Å; E124-T126 PolarHBondContact O-N 2.84Å; E124-N127 WeakPolarHBondContact O-CB 3.41Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 VanDerWaalsContact O-N 3.15Å; E124-N127 PolarHBondContact O-ND2 3.28Å |
| 125 | I | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59 | -27.3 | 178.1 | -162.9 | 174.1 | 0 | 0 | 0 | 113.4 | I100 L103 V106 L120 C123 N127 L128 Y131 I135 | I100-I125 HydrophobicContact CG2-CB 4.38Å; I100-I125 HydrophobicContact CG2-CD1 4.3Å; I100-I125 HydrophobicContact CG2-CG2 4.21Å; I100-I125 PolarHBondContact O-N 2.91Å; L103-I125 HydrophobicContact CD2-CD1 4.07Å; L103-I125 HydrophobicContact CG-CD1 4.46Å; V106-I125 HydrophobicContact CG2-CD1 3.6Å; L120-I125 HydrophobicContact CD1-CG2 4.48Å; C123-I125 VanDerWaalsContact C-N 3.27Å; C123-I125 HydrophobicContact CB-CG2 3.83Å; C123-I125 PolarHBondContact O-N 3.11Å; I125-N127 PolarHBondContact O-N 3.21Å; I125-N127 VanDerWaalsContact O-N 3.15Å; I125-L128 HydrophobicContact CG1-CD1 3.67Å; I125-L128 HydrophobicContact CG1-CG 4.44Å; I125-L128 WeakPolarHBondContact O-CB 3.35Å; I125-L128 VanDerWaalsContact O-CG 3.29Å; I125-L128 WeakPolarHBondContact O-CG 3.46Å; I125-L128 PolarHBondContact O-N 3.06Å; I125-L128 VanDerWaalsContact O-N 3.13Å; I125-Y131 HydrophobicContact CB-CE2 4.47Å; I125-Y131 HydrophobicContact CD1-CE2 4.4Å; I125-Y131 HydrophobicContact CG1-CD2 4.08Å; I125-Y131 HydrophobicContact CG1-CE2 4.11Å; I125-Y131 HydrophobicContact CG2-CD2 4.42Å; I125-Y131 HydrophobicContact CG2-CE2 3.83Å; I125-Y131 VanDerWaalsContact O-CD2 3.31Å; I125-Y131 WeakPolarHBondContact O-CD2 3.36Å; I125-I135 HydrophobicContact CD1-CD1 4.03Å |
| 126 | T | 93.9 | Very high | 95.1 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -69.6 | -12.1 | -179.8 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | L120 C123 E124 L128 Y131 | L120-T126 WeakPolarHBondContact O-CG2 3.32Å; C123-T126 PolarHBondContact O-N 2.92Å; C123-T126 PolarHBondContact O-OG1 2.85Å; E124-T126 PolarHBondContact O-N 2.84Å; T126-L128 VanDerWaalsContact C-N 3.34Å; T126-Y131 HydrophobicContact CG2-CE1 4.11Å; T126-Y131 HydrophobicContact CG2-CE2 4.46Å |
| 127 | N | 94.2 | Very high | 95.1 | Very high | 133 Ų | 133 | 62.9 Ų | 62.9 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -86.6 | -4.2 | 176.2 | -57.2 | -68.1 | 0 | 0 | 0 | 113.2 | E124 I125 | E124-N127 WeakPolarHBondContact O-CB 3.41Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 VanDerWaalsContact O-N 3.15Å; E124-N127 PolarHBondContact O-ND2 3.28Å; I125-N127 PolarHBondContact O-N 3.21Å; I125-N127 VanDerWaalsContact O-N 3.15Å |
| 128 | L | 93 | Very high | 95 | Very high | 77 Ų | 77 | 64 Ų | 64 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -68.2 | 143.4 | 176.2 | -63.4 | 178.7 | 0 | 0 | 0 | 110.4 | L103 I125 T126 Y131 | L103-L128 HydrophobicContact CG-CD1 4.27Å; I125-L128 HydrophobicContact CG1-CD1 3.67Å; I125-L128 HydrophobicContact CG1-CG 4.44Å; I125-L128 WeakPolarHBondContact O-CB 3.35Å; I125-L128 VanDerWaalsContact O-CG 3.29Å; I125-L128 WeakPolarHBondContact O-CG 3.46Å; I125-L128 PolarHBondContact O-N 3.06Å; I125-L128 VanDerWaalsContact O-N 3.13Å; T126-L128 VanDerWaalsContact C-N 3.34Å; L128-Y131 WeakPolarHBondContact O-CB 3.39Å; L128-Y131 PolarHBondContact O-N 2.88Å |
| 129 | E | 91.4 | Very high | 94.9 | Very high | 179 Ų | 179 | 64 Ų | 64 | 84% | 0.836 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 139.8 | 166.5 | -63.9 | -179.3 | 175.7 | 0 | 0 | 108.5 | Y131 | E129-Y131 PolarHBondContact O-N 2.98Å; E129-Y131 VanDerWaalsContact O-N 3.16Å |
| 130 | D | 93.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 70.5 Ų | 70.5 | 57% | 0.572 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 29.7 | -179 | -48 | -36.1 | 0 | 0 | 0 | 114.3 | R132 E133 S134 | D130-R132 PolarHBondContact O-N 3.34Å; D130-E133 HydrophobicContact CB-CB 4.49Å; D130-E133 PolarHBondContact O-N 2.82Å; D130-S134 WeakPolarHBondContact O-CB 3.32Å; D130-S134 PolarHBondContact O-N 3.04Å; D130-S134 PolarHBondContact O-OG 3.43Å |
| 131 | Y | 94.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -49.1 | -56 | -179.5 | 161.3 | -109.4 | 0 | 0 | 0 | 113 | L120 I125 T126 L128 E129 E133 S134 I135 L145 D146 | L120-Y131 WeakPolarHBondContact CB-OH 3.47Å; L120-Y131 HydrophobicContact CD1-CE2 4.32Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.4Å; I125-Y131 HydrophobicContact CB-CE2 4.47Å; I125-Y131 HydrophobicContact CD1-CE2 4.4Å; I125-Y131 HydrophobicContact CG1-CD2 4.08Å; I125-Y131 HydrophobicContact CG1-CE2 4.11Å; I125-Y131 HydrophobicContact CG2-CD2 4.42Å; I125-Y131 HydrophobicContact CG2-CE2 3.83Å; I125-Y131 VanDerWaalsContact O-CD2 3.31Å; I125-Y131 WeakPolarHBondContact O-CD2 3.36Å; T126-Y131 HydrophobicContact CG2-CE1 4.11Å; T126-Y131 HydrophobicContact CG2-CE2 4.46Å; L128-Y131 WeakPolarHBondContact O-CB 3.39Å; L128-Y131 PolarHBondContact O-N 2.88Å; E129-Y131 PolarHBondContact O-N 2.98Å; E129-Y131 VanDerWaalsContact O-N 3.16Å; Y131-E133 PolarHBondContact O-N 3.01Å; Y131-S134 PolarHBondContact O-N 3.5Å; Y131-I135 HydrophobicContact CD2-CD1 4.47Å; Y131-I135 HydrophobicContact CD2-CG1 3.83Å; Y131-I135 HydrophobicContact CE2-CD1 3.93Å; Y131-I135 HydrophobicContact CE2-CG1 3.46Å; Y131-I135 VanDerWaalsContact CE2-CG1 3.46Å; Y131-I135 WeakPolarHBondContact O-CG1 3.38Å; Y131-I135 PolarHBondContact O-N 2.96Å; Y131-L145 HydrophobicContact CE1-CD2 4.06Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.24Å |
| 132 | R | 94.8 | Very high | 94.6 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -48.4 | -177.7 | -69.2 | -176.5 | 67.1 | 78.5 | 1.4 | 111.5 | D130 S134 I135 F136 L145 F148 D149 | D130-R132 PolarHBondContact O-N 3.34Å; R132-S134 VanDerWaalsContact C-N 3.35Å; R132-S134 PolarHBondContact O-N 3.45Å; R132-I135 PolarHBondContact O-N 3.33Å; R132-F136 WeakPolarHBondContact O-CD2 3.47Å; R132-F136 PolarHBondContact O-N 2.95Å; R132-L145 HydrophobicContact CB-CD2 4.25Å; R132-L145 HydrophobicContact CG-CD2 4.09Å; R132-L145 PolarHBondContact NH1-O 2.84Å; R132-L145 PolarHBondContact NH2-O 2.7Å; R132-F148 PolarHBondContact NH2-O 3.48Å; R132-D149 PolarHBondContact NH2-O 2.99Å |
| 133 | E | 94.6 | Very high | 94.7 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 58% | 0.575 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.5 | -46.4 | 179.9 | -63.1 | -174.9 | -178.4 | 0 | 0 | 111.1 | D130 Y131 I135 F136 E137 | D130-E133 HydrophobicContact CB-CB 4.49Å; D130-E133 PolarHBondContact O-N 2.82Å; Y131-E133 PolarHBondContact O-N 3.01Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 2.91Å; E133-F136 PolarHBondContact O-N 3.16Å; E133-E137 WeakPolarHBondContact O-CB 3.44Å; E133-E137 WeakPolarHBondContact O-CG 3.23Å; E133-E137 PolarHBondContact O-N 2.97Å |
| 134 | S | 95.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 67 Ų | 67 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 178.1 | -60 | 0 | 0 | 0 | 0 | 112.4 | D130 Y131 R132 L138 | D130-S134 WeakPolarHBondContact O-CB 3.32Å; D130-S134 PolarHBondContact O-N 3.04Å; D130-S134 PolarHBondContact O-OG 3.43Å; Y131-S134 PolarHBondContact O-N 3.5Å; R132-S134 VanDerWaalsContact C-N 3.35Å; R132-S134 PolarHBondContact O-N 3.45Å; S134-L138 WeakPolarHBondContact O-CB 3.44Å; S134-L138 PolarHBondContact O-N 3.22Å |
| 135 | I | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.5 | -45.2 | 178.8 | -65.1 | -74 | 0 | 0 | 0 | 111 | L103 V106 L120 I125 Y131 R132 E133 E137 L138 L139 I142 L145 | L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.24Å; V106-I135 HydrophobicContact CB-CD1 4.28Å; V106-I135 HydrophobicContact CG1-CD1 3.82Å; V106-I135 HydrophobicContact CG2-CD1 4.33Å; L120-I135 HydrophobicContact CD1-CD1 4.17Å; I125-I135 HydrophobicContact CD1-CD1 4.03Å; Y131-I135 HydrophobicContact CD2-CD1 4.47Å; Y131-I135 HydrophobicContact CD2-CG1 3.83Å; Y131-I135 HydrophobicContact CE2-CD1 3.93Å; Y131-I135 HydrophobicContact CE2-CG1 3.46Å; Y131-I135 VanDerWaalsContact CE2-CG1 3.46Å; Y131-I135 WeakPolarHBondContact O-CG1 3.38Å; Y131-I135 PolarHBondContact O-N 2.96Å; R132-I135 PolarHBondContact O-N 3.33Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 2.91Å; I135-E137 VanDerWaalsContact C-N 3.34Å; I135-E137 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 3.05Å; I135-L139 HydrophobicContact CG2-CD1 4.29Å; I135-L139 WeakPolarHBondContact O-CB 3.27Å; I135-L139 PolarHBondContact O-N 2.95Å; I135-I142 HydrophobicContact CG2-CD1 3.85Å; I135-L145 HydrophobicContact CB-CD2 3.78Å; I135-L145 HydrophobicContact CG1-CD2 4.3Å; I135-L145 HydrophobicContact CG2-CD1 3.85Å; I135-L145 HydrophobicContact CG2-CD2 3.7Å; I135-L145 HydrophobicContact CG2-CG 4.38Å |
| 136 | F | 95.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 176.7 | -76.8 | -64.1 | 0 | 0 | 0 | 112.6 | R132 E133 L139 I142 L145 Q150 | R132-F136 WeakPolarHBondContact O-CD2 3.47Å; R132-F136 PolarHBondContact O-N 2.95Å; E133-F136 PolarHBondContact O-N 3.16Å; F136-L139 CarbonylContact O-C 3.52Å; F136-I142 HydrophobicContact CD1-CD1 4.35Å; F136-I142 HydrophobicContact CD1-CG1 4.03Å; F136-I142 HydrophobicContact CE1-CD1 4.27Å; F136-I142 HydrophobicContact CE1-CG1 4.06Å; F136-L145 HydrophobicContact CE1-CB 4.23Å; F136-L145 HydrophobicContact CE2-CB 3.99Å; F136-L145 HydrophobicContact CE2-CD2 4.21Å; F136-L145 HydrophobicContact CZ-CB 3.61Å; F136-Q150 HydrophobicContact CD2-CB 4.48Å; F136-Q150 HydrophobicContact CE2-CB 4.38Å; F136-Q150 HydrophobicContact CZ-CB 4.49Å |
| 137 | E | 95.4 | Very high | 94.7 | Very high | 146 Ų | 146 | 63.8 Ų | 63.8 | 68% | 0.682 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 173.2 | -76.4 | -170.4 | 170.6 | 0 | 0 | 112.3 | E133 I135 Q140 | E133-E137 WeakPolarHBondContact O-CB 3.44Å; E133-E137 WeakPolarHBondContact O-CG 3.23Å; E133-E137 PolarHBondContact O-N 2.97Å; I135-E137 VanDerWaalsContact C-N 3.34Å; I135-E137 PolarHBondContact O-N 3Å; E137-Q140 PolarHBondContact O-NE2 3.12Å; E137-Q140 VanDerWaalsContact O-NE2 3.08Å |
| 138 | L | 95.6 | Very high | 94.8 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.199 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.9 | -43.3 | -179.4 | -173.1 | 70.3 | 0 | 0 | 0 | 112.2 | L103 V106 E107 Q110 S134 I135 | L103-L138 HydrophobicContact CB-CD2 4.48Å; L103-L138 HydrophobicContact CD2-CD2 4.47Å; V106-L138 HydrophobicContact CB-CD2 4.49Å; E107-L138 HydrophobicContact CB-CD1 4.35Å; E107-L138 HydrophobicContact CB-CD2 4.16Å; E107-L138 HydrophobicContact CG-CD1 4.19Å; Q110-L138 WeakPolarHBondContact CG-O 3.32Å; Q110-L138 PolarHBondContact NE2-O 3.12Å; S134-L138 WeakPolarHBondContact O-CB 3.44Å; S134-L138 PolarHBondContact O-N 3.22Å; I135-L138 PolarHBondContact O-N 3.05Å |
| 139 | L | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -112.4 | 69.1 | -175.9 | -59.1 | -173.7 | 0 | 0 | 0 | 110.2 | V106 L109 Q110 L118 I135 F136 Q141 I142 | V106-L139 HydrophobicContact CG1-CD1 3.62Å; V106-L139 HydrophobicContact CG1-CG 4.24Å; L109-L139 HydrophobicContact CB-CD1 4.22Å; L109-L139 HydrophobicContact CB-CD2 4.15Å; L109-L139 HydrophobicContact CD1-CD1 4.48Å; Q110-L139 HydrophobicContact CB-CD2 4.32Å; Q110-L139 HydrophobicContact CG-CD2 3.57Å; L118-L139 HydrophobicContact CD2-CD1 3.66Å; I135-L139 HydrophobicContact CG2-CD1 4.29Å; I135-L139 WeakPolarHBondContact O-CB 3.27Å; I135-L139 PolarHBondContact O-N 2.95Å; F136-L139 CarbonylContact O-C 3.52Å; L139-Q141 VanDerWaalsContact C-OE1 3.22Å; L139-Q141 VanDerWaalsContact CA-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 3.39Å; L139-I142 HydrophobicContact CB-CD1 4.28Å; L139-I142 HydrophobicContact CB-CG1 4.14Å; L139-I142 HydrophobicContact CB-CG2 4.19Å; L139-I142 HydrophobicContact CD1-CD1 4.41Å; L139-I142 HydrophobicContact CD1-CG2 4.37Å; L139-I142 WeakPolarHBondContact O-CG1 3.15Å; L139-I142 PolarHBondContact O-N 3.02Å; L139-I142 VanDerWaalsContact O-N 3.14Å | ||
| 140 | Q | 93.5 | Very high | 94.9 | Very high | 166 Ų | 166 | 57.7 Ų | 57.7 | 78% | 0.776 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.1 | -177.4 | -70.8 | 165.9 | 47.4 | 0 | 0 | 114.2 | E137 | E137-Q140 PolarHBondContact O-NE2 3.12Å; E137-Q140 VanDerWaalsContact O-NE2 3.08Å |
| 141 | Q | 94 | Very high | 94.9 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -22.2 | 176.8 | 76.6 | -88.9 | 40.3 | 0 | 0 | 113.9 | L109 Q110 L112 L115 L139 | L109-Q141 PolarHBondContact O-NE2 3.37Å; Q110-Q141 PolarHBondContact O-NE2 3.3Å; L112-Q141 WeakPolarHBondContact O-CG 3.41Å; L112-Q141 PolarHBondContact O-NE2 2.9Å; L115-Q141 CarbonylContact O-C 3.55Å; L139-Q141 VanDerWaalsContact C-OE1 3.22Å; L139-Q141 VanDerWaalsContact CA-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 3.39Å |
| 142 | I | 95.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | trans | -78.8 | 142 | -178.6 | 72.3 | 171.6 | 0 | 0 | 0 | 110.1 | L115 L118 I135 F136 L139 L145 | L115-I142 HydrophobicContact CB-CG2 4.46Å; L115-I142 HydrophobicContact CD2-CG2 3.99Å; L115-I142 HydrophobicContact CG-CG2 4.12Å; L118-I142 HydrophobicContact CB-CD1 4.25Å; L118-I142 HydrophobicContact CD2-CD1 4.46Å; I135-I142 HydrophobicContact CG2-CD1 3.85Å; F136-I142 HydrophobicContact CD1-CD1 4.35Å; F136-I142 HydrophobicContact CD1-CG1 4.03Å; F136-I142 HydrophobicContact CE1-CD1 4.27Å; F136-I142 HydrophobicContact CE1-CG1 4.06Å; L139-I142 HydrophobicContact CB-CD1 4.28Å; L139-I142 HydrophobicContact CB-CG1 4.14Å; L139-I142 HydrophobicContact CB-CG2 4.19Å; L139-I142 HydrophobicContact CD1-CD1 4.41Å; L139-I142 HydrophobicContact CD1-CG2 4.37Å; L139-I142 WeakPolarHBondContact O-CG1 3.15Å; L139-I142 PolarHBondContact O-N 3.02Å; L139-I142 VanDerWaalsContact O-N 3.14Å; I142-L145 HydrophobicContact CD1-CB 4.23Å; I142-L145 HydrophobicContact CD1-CD1 4.24Å | ||
| 143 | T | 95.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 65.8 Ų | 65.8 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -97.6 | -38.4 | 174.8 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | K116 D149 | K116-T143 PolarHBondContact O-N 3.24Å; T143-D149 WeakPolarHBondContact O-CA 3.39Å; T143-D149 WeakPolarHBondContact O-CB 3.4Å |
| 144 | Y | 96.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 67.1 Ų | 67.1 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.3 | -175.4 | -56.9 | -75.4 | 0 | 0 | 0 | 111.3 | K116 S117 L118 D149 A155 P156 | K116-Y144 PolarHBondContact O-N 3.34Å; S117-Y144 WeakPolarHBondContact CA-O 3.46Å; L118-Y144 PolarHBondContact N-O 3.35Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.9Å; Y144-A155 HydrophobicContact CD1-CB 3.51Å; Y144-A155 HydrophobicContact CD2-CB 4.1Å; Y144-A155 HydrophobicContact CE1-CB 3.86Å; Y144-A155 HydrophobicContact CE2-CB 4.4Å; Y144-A155 HydrophobicContact CG-CB 3.65Å; Y144-P156 VanDerWaalsContact OH-CD 3.31Å; Y144-P156 WeakPolarHBondContact OH-CD 3.27Å |
| 145 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.8 | 173.8 | -178.5 | 64.1 | 0 | 0 | 0 | 109.2 | L118 L120 Y131 R132 I135 F136 I142 G147 F148 | L118-L145 HydrophobicContact CB-CD1 4.35Å; L118-L145 HydrophobicContact CD2-CD1 4.35Å; L118-L145 HydrophobicContact CG-CD1 4.27Å; L118-L145 CarbonylContact O-C 3.5Å; L118-L145 VanDerWaalsContact O-CA 3.31Å; L118-L145 WeakPolarHBondContact O-CA 3.29Å; L120-L145 HydrophobicContact CD1-CD1 4.39Å; Y131-L145 HydrophobicContact CE1-CD2 4.06Å; R132-L145 HydrophobicContact CB-CD2 4.25Å; R132-L145 HydrophobicContact CG-CD2 4.09Å; R132-L145 PolarHBondContact NH1-O 2.84Å; R132-L145 PolarHBondContact NH2-O 2.7Å; I135-L145 HydrophobicContact CB-CD2 3.78Å; I135-L145 HydrophobicContact CG1-CD2 4.3Å; I135-L145 HydrophobicContact CG2-CD1 3.85Å; I135-L145 HydrophobicContact CG2-CD2 3.7Å; I135-L145 HydrophobicContact CG2-CG 4.38Å; F136-L145 HydrophobicContact CE1-CB 4.23Å; F136-L145 HydrophobicContact CE2-CB 3.99Å; F136-L145 HydrophobicContact CE2-CD2 4.21Å; F136-L145 HydrophobicContact CZ-CB 3.61Å; I142-L145 HydrophobicContact CD1-CB 4.23Å; I142-L145 HydrophobicContact CD1-CD1 4.24Å; L145-G147 PolarHBondContact O-N 2.86Å; L145-F148 PolarHBondContact N-O 2.54Å; L145-F148 PolarHBondContact O-N 3.47Å |
| 146 | D | 95.7 | Very high | 93.7 | Very high | 30 Ų | 30 | 69.9 Ų | 69.9 | 16% | 0.16 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 34.5 | -177.6 | -52.9 | -36.3 | 0 | 0 | 0 | 112.9 | L118 L120 F121 Y131 F148 | L118-D146 PolarHBondContact O-N 3.09Å; L120-D146 PolarHBondContact N-OD1 2.92Å; F121-D146 PolarHBondContact N-OD1 3.38Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.24Å; D146-F148 VanDerWaalsContact O-CD2 3.26Å; D146-F148 WeakPolarHBondContact O-CD2 3.31Å |
| 147 | G | 93.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 4.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | L145 E154 A155 | L145-G147 PolarHBondContact O-N 2.86Å; G147-E154 CarbonylContact O-C 3.49Å; G147-E154 WeakPolarHBondContact O-CA 3.42Å; G147-A155 PolarHBondContact O-N 3.28Å |
| 148 | F | 95.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -130.2 | 145 | 179.8 | -59.9 | -88.5 | 0 | 0 | 0 | 112.2 | R132 L145 D146 N153 E154 | R132-F148 PolarHBondContact NH2-O 3.48Å; L145-F148 PolarHBondContact N-O 2.54Å; L145-F148 PolarHBondContact O-N 3.47Å; D146-F148 VanDerWaalsContact O-CD2 3.26Å; D146-F148 WeakPolarHBondContact O-CD2 3.31Å; F148-N153 CarbonylContact C-O 3.57Å; F148-N153 VanDerWaalsContact CA-O 3.25Å; F148-N153 WeakPolarHBondContact CA-O 3.38Å; F148-E154 HydrophobicContact CD1-CB 4.42Å; F148-E154 HydrophobicContact CE1-CB 4.25Å |
| 149 | D | 94.9 | Very high | 88.5 | Confident | 26 Ų | 26 | 79.5 Ų | 79.5 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | trans | -77.8 | -172.6 | 172.3 | 72.7 | 9.5 | 0 | 0 | 0 | 112.7 | R132 T143 Y144 E151 D152 N153 | R132-D149 PolarHBondContact NH2-O 2.99Å; T143-D149 WeakPolarHBondContact O-CA 3.39Å; T143-D149 WeakPolarHBondContact O-CB 3.4Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.9Å; D149-E151 PolarHBondContact O-N 3.3Å; D149-E151 VanDerWaalsContact OD1-C 3.25Å; D149-E151 VanDerWaalsContact OD1-CA 3.29Å; D149-E151 WeakPolarHBondContact OD1-CA 3.48Å; D149-E151 PolarHBondContact OD1-N 3.07Å; D149-D152 PolarHBondContact O-N 2.89Å; D149-D152 PolarHBondContact OD1-N 3.23Å; D149-N153 PolarHBondContact N-O 3.24Å; D149-N153 PolarHBondContact OD1-N 3.06Å; D149-N153 PolarHBondContact OD1-ND2 3.01Å; D149-N153 WeakPolarHBondContact OD2-CB 3.4Å; D149-N153 PolarHBondContact OD2-ND2 3.15Å | ||
| 150 | Q | 92 | Very high | 86.3 | Confident | 152 Ų | 152 | 88 Ų | 88 | 71% | 0.71 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.2 | 177.3 | -169.7 | 175.8 | 11.5 | 0 | 0 | 113.2 | F136 | F136-Q150 HydrophobicContact CD2-CB 4.48Å; F136-Q150 HydrophobicContact CE2-CB 4.38Å; F136-Q150 HydrophobicContact CZ-CB 4.49Å |
| 151 | E | 92.6 | Very high | 84.2 | Confident | 157 Ų | 157 | 87.3 Ų | 87.3 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 10.1 | 179.5 | -61.2 | -171.5 | 156.3 | 0 | 0 | 112.7 | D149 N153 | D149-E151 PolarHBondContact O-N 3.3Å; D149-E151 VanDerWaalsContact OD1-C 3.25Å; D149-E151 VanDerWaalsContact OD1-CA 3.29Å; D149-E151 WeakPolarHBondContact OD1-CA 3.48Å; D149-E151 PolarHBondContact OD1-N 3.07Å; E151-N153 VanDerWaalsContact C-N 3.27Å; E151-N153 PolarHBondContact O-N 3.07Å |
| 152 | D | 93.2 | Very high | 82.1 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 62% | 0.62 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 62.5 | 24.9 | -175.1 | -64.6 | -38.8 | 0 | 0 | 0 | 114.5 | D149 | D149-D152 PolarHBondContact O-N 2.89Å; D149-D152 PolarHBondContact OD1-N 3.23Å |
| 153 | N | 93.1 | Very high | 79.9 | Confident | 81 Ų | 81 | 98.8 Ų | 98.8 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 138.3 | 168.5 | -51.1 | -62.6 | 0 | 0 | 0 | 110.2 | F148 D149 E151 | F148-N153 CarbonylContact C-O 3.57Å; F148-N153 VanDerWaalsContact CA-O 3.25Å; F148-N153 WeakPolarHBondContact CA-O 3.38Å; D149-N153 PolarHBondContact N-O 3.24Å; D149-N153 PolarHBondContact OD1-N 3.06Å; D149-N153 PolarHBondContact OD1-ND2 3.01Å; D149-N153 WeakPolarHBondContact OD2-CB 3.4Å; D149-N153 PolarHBondContact OD2-ND2 3.15Å; E151-N153 VanDerWaalsContact C-N 3.27Å; E151-N153 PolarHBondContact O-N 3.07Å |
| 154 | E | 92.7 | Very high | 77.8 | Confident | 151 Ų | 151 | 104.1 Ų | 104.1 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | B | Isolated β-bridge | trans | -68 | 139.4 | 176.9 | -169 | 168.1 | -162.6 | 0 | 0 | 110.8 | G147 F148 | G147-E154 CarbonylContact O-C 3.49Å; G147-E154 WeakPolarHBondContact O-CA 3.42Å; F148-E154 HydrophobicContact CD1-CB 4.42Å; F148-E154 HydrophobicContact CE1-CB 4.25Å |
| 155 | A | 88.4 | Confident | 75.7 | Confident | 26 Ų | 26 | 107.7 Ų | 107.7 | 22% | 0.215 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 140.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y144 G147 | Y144-A155 HydrophobicContact CD1-CB 3.51Å; Y144-A155 HydrophobicContact CD2-CB 4.1Å; Y144-A155 HydrophobicContact CE1-CB 3.86Å; Y144-A155 HydrophobicContact CE2-CB 4.4Å; Y144-A155 HydrophobicContact CG-CB 3.65Å; G147-A155 PolarHBondContact O-N 3.28Å |
| 156 | P | 83.1 | Confident | 73.3 | Confident | 66 Ų | 66 | 110.8 Ų | 110.8 | 43% | 0.429 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 144.5 | 173.1 | 26.3 | -32.3 | 0 | 0 | 0 | 109.6 | Y144 S158 | Y144-P156 VanDerWaalsContact OH-CD 3.31Å; Y144-P156 WeakPolarHBondContact OH-CD 3.27Å; P156-S158 PolarHBondContact O-N 2.85Å |
| 157 | D | 67 | Low | 71.2 | Confident | 150 Ų | 150 | 117.4 Ų | 117.4 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | trans | -57.8 | 113.4 | 173.6 | -83.6 | -35.7 | 0 | 0 | 0 | 108.4 | E159 | D157-E159 PolarHBondContact O-N 2.78Š| ||
| 158 | S | 57.2 | Low | 69.4 | Low | 69 Ų | 69 | 124.1 Ų | 124.1 | 48% | 0.483 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | 14.4 | -168.2 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | P156 | P156-S158 PolarHBondContact O-N 2.85Š|
| 159 | E | 53.7 | Low | 67.2 | Low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -7.9 | -179.5 | -64.8 | -167.9 | 171 | 0 | 0 | 113.3 | D157 | D157-E159 PolarHBondContact O-N 2.78Š|
| 160 | E | 48.9 | Very low | 64.9 | Low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -113.6 | -1.5 | -169.8 | -66.7 | -167.8 | 166.2 | 0 | 0 | 116.5 | ||
| 161 | E | 49.1 | Very low | 62.8 | Low | 150 Ų | 150 | 134.6 Ų | 134.6 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | trans | -128.4 | 13.3 | -166.3 | -63.5 | -159.3 | 179 | 0 | 0 | 118.1 | D163 | E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 3.42Å | ||
| 162 | D | 50.2 | Low | 60.8 | Low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 8 | 178.3 | -81.7 | -23.2 | 0 | 0 | 0 | 114.8 | ||
| 163 | D | 49.3 | Very low | 58.8 | Low | 168 Ų | 168 | 137.6 Ų | 137.6 | 90% | 0.898 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 3.3 | -177.7 | -80.6 | -30.7 | 0 | 0 | 0 | 115.2 | E161 | E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 3.42Å |
| 164 | E | 50.5 | Low | 56.7 | Low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -116.7 | 41.1 | -173.8 | -141.4 | 173.6 | -143 | 0 | 0 | 114.1 | G166 | E164-G166 VanDerWaalsContact C-N 3.33Š| ||
| 165 | D | 52 | Low | 54.6 | Low | 131 Ų | 131 | 142.5 Ų | 142.5 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -97.3 | 71.1 | 152.1 | -74.5 | -32.4 | 0 | 0 | 0 | 107.9 | D167 | D165-D167 PolarHBondContact O-N 3.16Š| ||
| 166 | G | 47 | Very low | 52.4 | Low | 64 Ų | 64 | 147.9 Ų | 147.9 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 108.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | E164 E168 | E164-G166 VanDerWaalsContact C-N 3.33Å; G166-E168 PolarHBondContact O-N 3.22Å | ||
| 167 | D | 51.1 | Low | 50.8 | Low | 169 Ų | 169 | 154 Ų | 154 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 80.9 | 158 | -99.1 | -39.5 | 0 | 0 | 0 | 107.5 | D165 | D165-D167 PolarHBondContact O-N 3.16Š| ||
| 168 | E | 57.2 | Low | 49.6 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 130 | 154.1 | -70.6 | -171.7 | 172.4 | 0 | 0 | 107.3 | G166 | G166-E168 PolarHBondContact O-N 3.22Š| ||
| 169 | D | 48.7 | Very low | 48.7 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 114.5 | 110.8 | 173.6 | -59.7 | -21.7 | 0 | 0 | 0 | 111.3 | ||||
| 170 | D | 46.5 | Very low | 48.7 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -165.3 | 91.1 | 47.9 | -155.3 | 1.8 | 0 | 0 | 0 | 109.4 | E172 | D170-E172 PolarHBondContact O-N 3.34Š| ||
| 171 | E | 46.5 | Very low | 49.1 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 94.4 | 160.2 | -75.9 | -166.4 | -175.9 | 0 | 0 | 107.4 | E173 | E171-E173 PolarHBondContact O-N 2.74Š| ||
| 172 | E | 50.8 | Low | 48.6 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -59.2 | 102.8 | 167.6 | -74.8 | -169.2 | 163.3 | 0 | 0 | 109.2 | D170 E174 | D170-E172 PolarHBondContact O-N 3.34Å; E172-E174 PolarHBondContact O-N 2.74Å | ||
| 173 | E | 51.1 | Low | 48 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 98.4 | 163.2 | -70.3 | -165.1 | 167.9 | 0 | 0 | 109.6 | E171 E175 | E171-E173 PolarHBondContact O-N 2.74Å; E173-E175 PolarHBondContact O-N 2.85Å | ||
| 174 | E | 49.2 | Very low | 47.5 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -87.8 | 88.8 | 152.3 | -79 | -137.4 | 171.4 | 0 | 0 | 109.5 | E172 N176 | E172-E174 PolarHBondContact O-N 2.74Å; E174-N176 PolarHBondContact O-N 2.99Å; E174-N176 VanDerWaalsContact O-N 3.16Å | ||
| 175 | E | 49.8 | Very low | 47.2 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -58 | 109.7 | 154.9 | -76.3 | -167.4 | 146.1 | 0 | 0 | 109.4 | E173 | E173-E175 PolarHBondContact O-N 2.85Š| ||
| 176 | N | 42.7 | Very low | 46.8 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -133.7 | 98.2 | 154.1 | -82.6 | -57.4 | 0 | 0 | 0 | 110.4 | E174 | E174-N176 PolarHBondContact O-N 2.99Å; E174-N176 VanDerWaalsContact O-N 3.16Å | ||
| 177 | E | 49 | Very low | 46.6 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -53.9 | 125.3 | 164.7 | 179.3 | -174.6 | -173.5 | 0 | 0 | 112.7 | ||||
| 178 | A | 40.9 | Very low | 46.3 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 176.4 | 132.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 179 | G | 38 | Very low | 45.8 | Very low | 73 Ų | 73 | 154 Ų | 154 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -81 | -167.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 180 | P | 54.1 | Low | 45.7 | Very low | 125 Ų | 125 | 154.9 Ų | 154.9 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -100 | -166.5 | -147.4 | 45 | -40.1 | 0 | 0 | 0 | 112.4 | ||||
| 181 | P | 57.1 | Low | 45.9 | Very low | 111 Ų | 111 | 156.8 Ų | 156.8 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -148.9 | -155.9 | 18.5 | 40.8 | -15.3 | 0 | 0 | 0 | 116.1 | ||||
| 182 | E | 39 | Very low | 45.9 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 94.6 | 126.2 | 174.1 | -55.6 | -176.5 | 178.5 | 0 | 0 | 113.1 | ||||
| 183 | G | 37.9 | Very low | 45.8 | Very low | 53 Ų | 53 | 155.7 Ų | 155.7 | 55% | 0.546 | 80% | 0.801 | S | S | . | * | cis | 144 | 157.8 | 23.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 184 | Y | 39.4 | Very low | 45.8 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 136.4 | 176.7 | -37.5 | -76.5 | 0 | 0 | 0 | 114 | ||||
| 185 | E | 42.3 | Very low | 45.8 | Very low | 173 Ų | 173 | 156 Ų | 156 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | cis | -159.6 | 154.1 | 2.8 | -108.9 | 155.3 | -155.4 | 0 | 0 | 108.2 | ||||
| 186 | E | 43.7 | Very low | 45.9 | Very low | 179 Ų | 179 | 156.3 Ų | 156.3 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -44.3 | 142.5 | 161 | -71.1 | 159.3 | 176.8 | 0 | 0 | 112.6 | ||||
| 187 | E | 44.1 | Very low | 46.3 | Very low | 198 Ų | 198 | 157.6 Ų | 157.6 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | -147.3 | 122.6 | 124.9 | -69.8 | -157.9 | 161.5 | 0 | 0 | 109.8 | |||||
| 188 | E | 45.5 | Very low | 46.4 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -63 | 144.6 | 162.5 | -56 | 172.1 | 155.4 | 0 | 0 | 109.3 | ||||
| 189 | E | 46.5 | Very low | 46.9 | Very low | 188 Ų | 188 | 160 Ų | 160 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -148.2 | 112.4 | 133.8 | -73.9 | -152.2 | 163.9 | 0 | 0 | 108.5 | ||||
| 190 | E | 46.1 | Very low | 47.5 | Very low | 173 Ų | 173 | 165 Ų | 165 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -67.8 | 141.6 | 157.7 | -59.7 | 179.5 | 157.4 | 0 | 0 | 108.2 | ||||
| 191 | E | 49.4 | Very low | 47.2 | Very low | 172 Ų | 172 | 166.8 Ų | 166.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -146.6 | 108.6 | 139.2 | -73.1 | -55.3 | 172.2 | 0 | 0 | 107.6 | ||||
| 192 | E | 47.5 | Very low | 46.8 | Very low | 174 Ų | 174 | 169.2 Ų | 169.2 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -67.3 | 144.1 | 152.2 | -67.2 | 177.1 | 154.6 | 0 | 0 | 107.5 | ||||
| 193 | D | 48.9 | Very low | 46.9 | Very low | 162 Ų | 162 | 167.8 Ų | 167.8 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -161.2 | 116.6 | 137 | -93.4 | -30.2 | 0 | 0 | 0 | 109.2 | ||||
| 194 | E | 49.9 | Very low | 47.5 | Very low | 175 Ų | 175 | 174.3 Ų | 174.3 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -64.2 | 147.2 | 161.9 | -62.8 | 171.6 | 152.8 | 0 | 0 | 109 | ||||
| 195 | D | 50 | Low | 47.7 | Very low | 166 Ų | 166 | 169.7 Ų | 169.7 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | -156.2 | 112.8 | 139.3 | -90.4 | -34.4 | 0 | 0 | 0 | 109 | ||||
| 196 | E | 51.3 | Low | 47.5 | Very low | 178 Ų | 178 | 164.8 Ų | 164.8 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -65.1 | 143.4 | 160.8 | -64.5 | 172.6 | 150.1 | 0 | 0 | 109.2 | ||||
| 197 | D | 51.2 | Low | 47.5 | Very low | 166 Ų | 166 | 161.4 Ų | 161.4 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -147.3 | 104.5 | 146.4 | -88.6 | -39.4 | 0 | 0 | 0 | 108.4 | ||||
| 198 | E | 51.1 | Low | 47.4 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -68.1 | 138.5 | 157.9 | -67.2 | 176.8 | 151.7 | 0 | 0 | 109 | ||||
| 199 | D | 51.5 | Low | 47.1 | Very low | 167 Ų | 167 | 158.3 Ų | 158.3 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -144.2 | 98.6 | 149 | -88.4 | -38.5 | 0 | 0 | 0 | 107.8 | ||||
| 200 | E | 51.1 | Low | 46.8 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -70.3 | 140.2 | 151.2 | -69.6 | -178.8 | 151.6 | 0 | 0 | 108.2 | ||||
| 201 | D | 47.8 | Very low | 46.7 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | -166 | 143.6 | 129.5 | -98.7 | -28.2 | 0 | 0 | 0 | 112.9 | |||||
| 202 | E | 48.7 | Very low | 46.2 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -77 | 172.3 | -169.8 | -71.6 | 176.3 | 130.6 | 0 | 0 | 115.4 | ||||
| 203 | D | 41.1 | Very low | 46.1 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | 76.7 | 123.3 | 148.6 | -61.4 | -28.5 | 0 | 0 | 0 | 120.1 | ||||
| 204 | E | 50.8 | Low | 46 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | 179 | 141.4 | 83.9 | -165.1 | 169 | -171.6 | 0 | 0 | 111.2 | |||||
| 205 | A | 43.4 | Very low | 46.1 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -75.5 | 157.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 206 | G | 38.1 | Very low | 46.2 | Very low | 71 Ų | 71 | 151 Ų | 151 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | trans | 137.7 | 123.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 207 | S | 42.9 | Very low | 45.9 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | 66.1 | 150 | 147.7 | -125.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 208 | E | 42.9 | Very low | 45.8 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | cis | -168.2 | 149.2 | 12 | -154.4 | 158.1 | 144.2 | 0 | 0 | 108.2 | ||||
| 209 | L | 39.7 | Very low | 45.7 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | trans | -2.1 | 133 | 155.1 | -57.3 | 164 | 0 | 0 | 0 | 119.2 | ||||
| 210 | G | 38.5 | Very low | 45.6 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -153.7 | 85.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 211 | E | 44.2 | Very low | 45.4 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -59.3 | 142.4 | 165.1 | -64.1 | 177.5 | 160.9 | 0 | 0 | 110.3 | ||||
| 212 | G | 39.1 | Very low | 45.4 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -179 | 72 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 213 | E | 45.5 | Very low | 45.3 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -57.4 | 137.4 | 157.5 | -60.8 | -179.8 | 157.3 | 0 | 0 | 109.3 | ||||
| 214 | E | 47.9 | Very low | 45.7 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -169 | 108.6 | 134.2 | -105.7 | 176.9 | -159.1 | 0 | 0 | 110.6 | ||||
| 215 | E | 52.1 | Low | 45.5 | Very low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -63.3 | 130.3 | 156.6 | -74.9 | -173.1 | 143.4 | 0 | 0 | 110.2 | ||||
| 216 | V | 52 | Low | 45.8 | Very low | 142 Ų | 142 | 150 Ų | 150 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -167.2 | 134.1 | 149.2 | -85.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 217 | G | 44.1 | Very low | 46.2 | Very low | 60 Ų | 60 | 154.5 Ų | 154.5 | 62% | 0.619 | 82% | 0.82 | S | S | * | * | cis | 157 | 114.3 | 11.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | S219 | G217-S219 PolarHBondContact O-N 3.37Š| ||
| 218 | L | 49.3 | Very low | 46.5 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 100% | 1.031 | 82% | 0.822 | S | S | * | * | trans | -69.8 | 72.4 | 177.2 | -79.6 | 160.4 | 0 | 0 | 0 | 110.7 | ||||
| 219 | S | 49.8 | Very low | 47.1 | Very low | 98 Ų | 98 | 157.9 Ų | 157.9 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -133.9 | 48.8 | -174.7 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | G217 | G217-S219 PolarHBondContact O-N 3.37Š| ||
| 220 | Y | 48 | Very low | 47.6 | Very low | 221 Ų | 221 | 159.5 Ų | 159.5 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -121.3 | 100.1 | 162.9 | -106.5 | -105.4 | 0 | 0 | 0 | 110.3 | ||
| 221 | L | 47.3 | Very low | 48.3 | Very low | 140 Ų | 140 | 164 Ų | 164 | 73% | 0.733 | 84% | 0.838 | S | S | * | * | trans | 75.8 | 66.8 | 155.8 | -82.8 | 82.5 | 0 | 0 | 0 | 118.8 | ||||
| 222 | M | 48.4 | Very low | 48.6 | Very low | 191 Ų | 191 | 161.6 Ų | 161.6 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | -89.2 | 101.8 | 127.4 | -82.1 | -78.3 | -108.8 | 0 | 0 | 108.5 | |||||
| 223 | K | 46.8 | Very low | 49 | Very low | 180 Ų | 180 | 164.7 Ų | 164.7 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | 172.3 | 113.8 | 161.1 | -108.1 | 176.2 | 174.7 | 176.1 | 0 | 104.6 | ||||
| 224 | E | 49.4 | Very low | 49.3 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | -143 | 137.4 | 57.7 | -75.6 | 170.3 | 150 | 0 | 0 | 112.5 | |||||
| 225 | E | 45.7 | Very low | 49.3 | Very low | 179 Ų | 179 | 162 Ų | 162 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -62.3 | 127.7 | 154.2 | -66.7 | 161.2 | 138.3 | 0 | 0 | 108.6 | ||||
| 226 | I | 50.8 | Low | 49.1 | Very low | 161 Ų | 161 | 159.9 Ų | 159.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -117.2 | 110.8 | 154.6 | -62 | 179.3 | 0 | 0 | 0 | 105.9 | ||||
| 227 | Q | 45.3 | Very low | 49.3 | Very low | 166 Ų | 166 | 160.2 Ų | 160.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -72.3 | 155.5 | 173.6 | -82.1 | 173.7 | -10.8 | 0 | 0 | 111.5 | ||||
| 228 | D | 49.3 | Very low | 49.5 | Very low | 149 Ų | 149 | 166.5 Ų | 166.5 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -48.3 | 144.5 | 172.9 | -50.4 | -66 | 0 | 0 | 0 | 114.9 | ||||
| 229 | E | 55.2 | Low | 49 | Very low | 187 Ų | 187 | 160.9 Ų | 160.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -147.7 | 106.1 | 137.6 | -66.9 | -162.1 | 167.1 | 0 | 0 | 104.9 | ||||
| 230 | E | 51.6 | Low | 48.9 | Very low | 187 Ų | 187 | 165.3 Ų | 165.3 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | 43.1 | 102 | 94.7 | -73 | -172.6 | -176.3 | 0 | 0 | 113 | |||||
| 231 | D | 52.2 | Low | 48.9 | Very low | 174 Ų | 174 | 163.6 Ų | 163.6 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -143.7 | 111.9 | 143.5 | -115.3 | -13.8 | 0 | 0 | 0 | 108.7 | ||||
| 232 | D | 50.8 | Low | 48.6 | Very low | 142 Ų | 142 | 164.9 Ų | 164.9 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -81.7 | 174.3 | 174.5 | -128.7 | -18.2 | 0 | 0 | 0 | 109.4 | ||||
| 233 | D | 46.9 | Very low | 48.2 | Very low | 140 Ų | 140 | 164 Ų | 164 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | 83 | 130.9 | 163.1 | -49.2 | -31 | 0 | 0 | 0 | 116.7 | ||||
| 234 | D | 51.9 | Low | 48 | Very low | 138 Ų | 138 | 163.8 Ų | 163.8 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | cis | -164.7 | 158.7 | 12.9 | -146 | -14.3 | 0 | 0 | 0 | 111.9 | ||||
| 235 | Y | 49.2 | Very low | 47.6 | Very low | 183 Ų | 183 | 163.3 Ų | 163.3 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | trans | -38.1 | 150.4 | 169.6 | -91.4 | -110.3 | 0 | 0 | 0 | 117.7 | ||||
| 236 | V | 47.8 | Very low | 47.2 | Very low | 146 Ų | 146 | 162.5 Ų | 162.5 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | -152.6 | 113.9 | 111.2 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 237 | E | 56.2 | Low | 46.5 | Very low | 149 Ų | 149 | 162.7 Ų | 162.7 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | trans | -90.8 | 159.1 | 157.6 | -175.9 | 173.2 | -162.5 | 0 | 0 | 108.6 | ||||
| 238 | E | 46.5 | Very low | 46.6 | Very low | 193 Ų | 193 | 162.3 Ų | 162.3 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | 109.9 | 125.9 | 166.8 | -60.8 | -163.5 | -178.8 | 0 | 0 | 118.1 | ||||
| 239 | G | 40.6 | Very low | 46 | Very low | 79 Ų | 79 | 159 Ų | 159 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 169.7 | 51 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 240 | E | 47.8 | Very low | 45.7 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -67 | 138.6 | 156.4 | -62.7 | -175.9 | 155.3 | 0 | 0 | 109.1 | ||||
| 241 | E | 46.6 | Very low | 45.1 | Very low | 186 Ų | 186 | 160.3 Ų | 160.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -157.9 | 104 | 139.1 | -69 | -161.6 | 168.5 | 0 | 0 | 105.8 | ||||
| 242 | E | 41.7 | Very low | 44.7 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | 74.5 | 112.8 | 95.9 | -72.7 | -167.9 | -178.8 | 0 | 0 | 114 | |||||
| 243 | E | 40.5 | Very low | 44.4 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | 68.7 | 133.6 | 106.4 | -61.3 | -161.3 | 174.3 | 0 | 0 | 113 | |||||
| 244 | E | 42.4 | Very low | 44.6 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -158 | 136.6 | 51.5 | -67.4 | 175.6 | 158.2 | 0 | 0 | 107.5 | |||||
| 245 | E | 39.6 | Very low | 44.4 | Very low | 165 Ų | 165 | 158.1 Ų | 158.1 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | 53.6 | 126.2 | 86.7 | -81.3 | -154.6 | 176.1 | 0 | 0 | 118.2 | |||||
| 246 | E | 37.6 | Very low | 44.5 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | 64.8 | 153.6 | 148.2 | -60.5 | -166.2 | 162.9 | 0 | 0 | 117.9 | ||||
| 247 | E | 37.3 | Very low | 44.2 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | cis | -163.5 | 169.3 | 15.8 | -144.9 | -172 | 171.6 | 0 | 0 | 108.2 | ||||
| 248 | E | 46.2 | Very low | 43.8 | Very low | 157 Ų | 157 | 158.3 Ų | 158.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -47.4 | 136.9 | 171.4 | -59.1 | -168.3 | 149.7 | 0 | 0 | 115.4 | ||||
| 249 | G | 36.7 | Very low | 44.2 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -109.6 | 63.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R251 | G249-R251 PolarHBondContact O-N 2.86Š| ||
| 250 | L | 49.4 | Very low | 44.8 | Very low | 148 Ų | 148 | 159.3 Ų | 159.3 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 112.4 | 159.8 | -82.1 | 168.4 | 0 | 0 | 0 | 109.8 | ||||
| 251 | R | 39 | Very low | 45.2 | Very low | 254 Ų | 254 | 157.9 Ų | 157.9 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | trans | 179.9 | 130.9 | 155.5 | -107.7 | 168.2 | 178.8 | -170.6 | 2.8 | 109.3 | G249 | G249-R251 PolarHBondContact O-N 2.86Š| ||
| 252 | G | 45.2 | Very low | 45.5 | Very low | 65 Ų | 65 | 156.7 Ų | 156.7 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | -163.3 | 145.5 | 7.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 253 | E | 44.2 | Very low | 45.9 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | 64.9 | 101.8 | 99 | -100.6 | -153.7 | 122 | 0 | 0 | 115.1 | |||||
| 254 | K | 50.2 | Low | 46.7 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 53% | 0.526 | 78% | 0.776 | S | S | . | * | 139.3 | 122.3 | 108.4 | -83.5 | 169.7 | 172 | 114.1 | 0 | 114.6 | |||||
| 255 | R | 48.5 | Very low | 47.4 | Very low | 209 Ų | 209 | 153.8 Ų | 153.8 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | 68.2 | 150.9 | 126.2 | -61.9 | 171.5 | -170.7 | 175 | 1.8 | 116.5 | |||||
| 256 | K | 50.3 | Low | 48.2 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 68% | 0.683 | 78% | 0.784 | S | S | * | * | cis | 173.2 | 124.9 | -11.1 | -174.7 | -173.8 | -176.9 | -174 | 0 | 102.8 | ||||
| 257 | R | 42.5 | Very low | 49.3 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | 59.4 | 136 | 149.5 | -87.3 | -178.9 | -111.7 | 179.9 | -10.2 | 123.8 | ||||
| 258 | D | 47.3 | Very low | 49.9 | Very low | 136 Ų | 136 | 157 Ų | 157 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 66.4 | 115 | 133.8 | -53.1 | -26.3 | 0 | 0 | 0 | 120.3 | ||||
| 259 | A | 55.2 | Low | 50.1 | Low | 100 Ų | 100 | 156.9 Ų | 156.9 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | -147.9 | 114.7 | 125.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 260 | E | 52 | Low | 50.9 | Low | 194 Ų | 194 | 161.2 Ų | 161.2 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -53.6 | 140.3 | 155.3 | -59.7 | 172.5 | 150.1 | 0 | 0 | 108.7 | ||||
| 261 | D | 57.5 | Low | 51 | Low | 160 Ų | 160 | 162 Ų | 162 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -154.8 | 134.8 | 136.7 | -154.5 | 6.4 | 0 | 0 | 0 | 110.8 | ||||
| 262 | D | 51.6 | Low | 51.7 | Low | 161 Ų | 161 | 156.3 Ų | 156.3 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -61.1 | 163.1 | -173.3 | -90.3 | -40.4 | 0 | 0 | 0 | 114.1 | ||||
| 263 | G | 50.9 | Low | 52.2 | Low | 70 Ų | 70 | 162.3 Ų | 162.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | 148.2 | 75.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 264 | E | 57.1 | Low | 52.7 | Low | 190 Ų | 190 | 163.1 Ų | 163.1 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -54.3 | 141.8 | 146.2 | -66.9 | -178.3 | 162.1 | 0 | 0 | 109.6 | ||||
| 265 | E | 56.8 | Low | 52.9 | Low | 193 Ų | 193 | 166.3 Ų | 166.3 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | -168.3 | 106.7 | 128 | -105.2 | 174.5 | -165.5 | 0 | 0 | 108.8 | |||||
| 266 | D | 57.1 | Low | 53.3 | Low | 160 Ų | 160 | 162.8 Ų | 162.8 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | -66.4 | 135.2 | 152.7 | -76.4 | -47.2 | 0 | 0 | 0 | 109.2 | ||||
| 267 | D | 61.4 | Low | 53.6 | Low | 243 Ų | 243 | 163.3 Ų | 163.3 | 100% | 1.299 | 87% | 0.869 | S | S | * | * | trans | -160.5 | 0 | 139.2 | -106.4 | -16.6 | 0 | 0 | 0 | 110 |
Retrieved 267 of 267 residues in 189.6 ms
(Link to these results)