| 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 | 57.1 | Low | 88.9 | Confident | 114 Ų | 114 | 38.5 Ų | 38.5 | 56% | 0.562 | 19% | 0.188 | S | C | * | . | 0 | 102.9 | 0 | 50.8 | 38 | 178.7 | 0 | 0 | 108.5 | P50 V51 Q118 S119 P120 | M1-P50 CarbonylContact O-C 3.5Å; M1-P50 VanDerWaalsContact O-CA 3.31Å; M1-P50 WeakPolarHBondContact O-CA 3.45Å; M1-V51 PolarHBondContact O-N 3.46Å; M1-Q118 HydrophobicContact CB-CB 4.42Å; M1-Q118 HydrophobicContact CB-CG 4.19Å; M1-Q118 WeakPolarHBondContact CB-O 2.86Å; M1-S119 VanDerWaalsContact CB-O 3.24Å; M1-S119 WeakPolarHBondContact CB-O 3.14Å; M1-S119 VanDerWaalsContact CG-O 3.27Å; M1-S119 WeakPolarHBondContact CG-O 3.41Å; M1-P120 VanDerWaalsContact CE-O 3.3Å; M1-P120 WeakPolarHBondContact CE-O 3.18Å | |||
| 2 | S | 80.3 | Confident | 88.9 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 141.4 | -166.1 | 53.2 | 0 | 0 | 0 | 0 | 117.1 | W49 Q118 | S2-W49 CarbonylContact C-O 3.48Å; S2-W49 WeakPolarHBondContact CA-O 3.5Å; S2-W49 WeakPolarHBondContact CB-O 3.39Å; S2-Q118 PolarHBondContact N-O 2.87Å; S2-Q118 PolarHBondContact O-N 3.12Å |
| 3 | L | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.5 | 163.6 | -179.2 | 67.7 | 0 | 0 | 0 | 108.9 | F25 S48 W49 V51 L84 L87 L115 Y117 | L3-F25 HydrophobicContact CD2-CD1 4.1Å; L3-F25 HydrophobicContact CD2-CD2 4.11Å; L3-F25 HydrophobicContact CD2-CE1 4.09Å; L3-F25 HydrophobicContact CD2-CE2 4.12Å; L3-F25 HydrophobicContact CD2-CG 4.1Å; L3-F25 HydrophobicContact CD2-CZ 4.1Å; L3-S48 CarbonylContact O-C 3.23Å; L3-S48 VanDerWaalsContact O-CA 3.29Å; L3-S48 WeakPolarHBondContact O-CA 3.12Å; L3-W49 HydrophobicContact CB-CE3 4.44Å; L3-W49 HydrophobicContact CD2-CE3 4.24Å; L3-W49 HydrophobicContact CG-CE3 4.29Å; L3-W49 PolarHBondContact N-O 3.32Å; L3-W49 PolarHBondContact O-N 3.48Å; L3-V51 HydrophobicContact CB-CG2 4.06Å; L3-V51 VanDerWaalsContact N-CG2 3.29Å; L3-L84 HydrophobicContact CD1-CD2 4.43Å; L3-L84 HydrophobicContact CD2-CD1 3.69Å; L3-L84 HydrophobicContact CD2-CD2 4.23Å; L3-L87 HydrophobicContact CD1-CD1 3.78Å; L3-L115 HydrophobicContact CD1-CD2 4.24Å; L3-Y117 HydrophobicContact CD1-CD2 4.43Å |
| 4 | I | 92.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 18% | 0.179 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.9 | -175 | -53.1 | 178.2 | 0 | 0 | 0 | 109.3 | R46 L115 R116 | I4-R46 HydrophobicContact CG2-CG 3.58Å; I4-L115 CarbonylContact O-C 3.55Å; I4-L115 WeakPolarHBondContact O-CA 3.34Å; I4-R116 HydrophobicContact CB-CB 4.34Å; I4-R116 PolarHBondContact N-O 3.4Å; I4-R116 PolarHBondContact O-N 2.79Å |
| 5 | L | 96 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.5 | 174.4 | 171.8 | 68.7 | 0 | 0 | 0 | 109.7 | L7 V23 R46 I47 W49 L61 L63 F113 E114 L115 | L5-L7 HydrophobicContact CD1-CD2 4.2Å; L5-L7 HydrophobicContact CD2-CD1 4.42Å; L5-L7 HydrophobicContact CD2-CD2 3.92Å; L5-L7 HydrophobicContact CD2-CG 3.91Å; L5-L7 HydrophobicContact CG-CD2 4.15Å; L5-L7 HydrophobicContact CG-CG 4.02Å; L5-V23 HydrophobicContact CD2-CG1 4.11Å; L5-V23 HydrophobicContact CD2-CG2 4.14Å; L5-R46 CarbonylContact O-C 3.33Å; L5-R46 WeakPolarHBondContact O-CA 3.35Å; L5-I47 PolarHBondContact N-O 3.01Å; L5-I47 PolarHBondContact O-N 2.84Å; L5-W49 HydrophobicContact CB-CH2 4.04Å; L5-W49 HydrophobicContact CB-CZ3 3.69Å; L5-W49 HydrophobicContact CD2-CH2 3.93Å; L5-W49 HydrophobicContact CD2-CZ3 4.41Å; L5-L61 HydrophobicContact CD1-CD2 4.43Å; L5-L63 HydrophobicContact CD2-CD2 3.76Å; L5-F113 HydrophobicContact CD1-CB 3.82Å; L5-F113 HydrophobicContact CD1-CD2 3.41Å; L5-F113 VanDerWaalsContact CD1-CD2 3.41Å; L5-F113 HydrophobicContact CD1-CE2 4.3Å; L5-F113 HydrophobicContact CD1-CG 3.9Å; L5-E114 CarbonylContact C-O 3.4Å; L5-E114 WeakPolarHBondContact CA-O 3.32Å; L5-L115 HydrophobicContact CB-CD2 3.84Å; L5-L115 HydrophobicContact CD1-CD2 3.8Å; L5-L115 HydrophobicContact CD1-CG 4.17Å; L5-L115 HydrophobicContact CG-CD2 4.41Å |
| 6 | D | 94.9 | Very high | 86.4 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 96.6 | 168.4 | -79 | -30.8 | 0 | 0 | 0 | 109.5 | K8 R46 F113 E114 | D6-K8 PolarHBondContact O-N 3.02Å; D6-R46 WeakPolarHBondContact OD1-CA 3.14Å; D6-R46 WeakPolarHBondContact OD1-CB 2.97Å; D6-R46 VanDerWaalsContact OD1-CG 3.29Å; D6-R46 WeakPolarHBondContact OD1-CG 3.48Å; D6-R46 IonicContact OD1-CZ 2.69Å; D6-R46 IonicContact OD1-NE 3.56Å; D6-R46 PolarHBondContact OD1-NE 2.82Å; D6-R46 IonicContact OD1-NH2 3Å; D6-R46 IonicContact OD2-CZ 2.91Å; D6-R46 IonicContact OD2-NE 3.54Å; D6-R46 PolarHBondContact OD2-NE 3.38Å; D6-R46 IonicContact OD2-NH2 2.99Å; D6-R46 PolarHBondContact OD2-NH2 3.44Å; D6-F113 CarbonylContact O-C 3.52Å; D6-F113 VanDerWaalsContact O-CA 3.24Å; D6-F113 WeakPolarHBondContact O-CA 3.32Å; D6-F113 WeakPolarHBondContact O-CB 3.35Å; D6-E114 HydrophobicContact CB-CB 4.32Å; D6-E114 PolarHBondContact N-O 3.42Å; D6-E114 PolarHBondContact O-N 3.23Å |
| 7 | L | 94.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 116.7 | 174.7 | -73 | 174.4 | 0 | 0 | 0 | 109.9 | L5 I21 V23 F43 G44 Q45 I47 L111 F113 | L5-L7 HydrophobicContact CD1-CD2 4.2Å; L5-L7 HydrophobicContact CD2-CD1 4.42Å; L5-L7 HydrophobicContact CD2-CD2 3.92Å; L5-L7 HydrophobicContact CD2-CG 3.91Å; L5-L7 HydrophobicContact CG-CD2 4.15Å; L5-L7 HydrophobicContact CG-CG 4.02Å; L7-I21 HydrophobicContact CD1-CB 4.34Å; L7-I21 HydrophobicContact CD1-CD1 4.27Å; L7-I21 HydrophobicContact CD1-CG2 4.45Å; L7-I21 HydrophobicContact CD2-CD1 4.04Å; L7-V23 HydrophobicContact CD1-CG2 4.49Å; L7-F43 HydrophobicContact CB-CB 4.01Å; L7-G44 VanDerWaalsContact O-CA 3.27Å; L7-G44 WeakPolarHBondContact O-CA 3.27Å; L7-G44 PolarHBondContact O-N 3.33Å; L7-Q45 PolarHBondContact N-O 3.08Å; L7-Q45 PolarHBondContact O-N 3.38Å; L7-I47 HydrophobicContact CD1-CD1 3.77Å; L7-L111 HydrophobicContact CD2-CD1 4.41Å; L7-F113 HydrophobicContact CD2-CB 4.22Å |
| 8 | K | 92.9 | Very high | 86.5 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 30% | 0.3 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -84 | -179.5 | -65.1 | -174.8 | 174.5 | -177.1 | 0 | 111.8 | D6 Y42 F43 G44 L112 E114 | D6-K8 PolarHBondContact O-N 3.02Å; K8-Y42 HydrophobicContact CB-CE2 4.23Å; K8-Y42 CarbonylContact O-C 3.28Å; K8-Y42 WeakPolarHBondContact O-CA 3.38Å; K8-Y42 WeakPolarHBondContact O-CD2 3.18Å; K8-F43 PolarHBondContact O-N 3.26Å; K8-G44 PolarHBondContact O-N 3.26Å; K8-L112 WeakPolarHBondContact CA-O 3.48Å; K8-L112 WeakPolarHBondContact CB-O 3.41Å; K8-L112 PolarHBondContact N-O 3.33Å; K8-E114 HydrophobicContact CD-CG 4.39Å; K8-E114 IonicContact NZ-OE1 2.84Å; K8-E114 PolarHBondContact NZ-OE1 2.84Å; K8-E114 IonicContact NZ-OE2 3.74Å; K8-E114 PolarHBondContact NZ-OE2 2.8Å |
| 9 | Y | 92.8 | Very high | 86.7 | Confident | 104 Ų | 104 | 46.2 Ų | 46.2 | 41% | 0.408 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.7 | -170.5 | -67.2 | -89.9 | 0 | 0 | 0 | 112.9 | V41 Y42 L112 | Y9-V41 WeakPolarHBondContact CA-O 3.26Å; Y9-Y42 AromaticContact CD1-CD2 3.7Å; Y9-Y42 HydrophobicContact CD1-CD2 3.7Å; Y9-Y42 HydrophobicContact CD1-CG 4.27Å; Y9-Y42 AromaticContact CD2-CD2 3.88Å; Y9-Y42 HydrophobicContact CD2-CD2 3.88Å; Y9-Y42 HydrophobicContact CD2-CE2 4.22Å; Y9-Y42 AromaticContact CE1-CD2 3.44Å; Y9-Y42 HydrophobicContact CE1-CD2 3.44Å; Y9-Y42 VanDerWaalsContact CE1-CD2 3.44Å; Y9-Y42 HydrophobicContact CE1-CE2 4.35Å; Y9-Y42 AromaticContact CE1-CG 3.88Å; Y9-Y42 HydrophobicContact CE1-CG 3.88Å; Y9-Y42 AromaticContact CE2-CD2 3.61Å; Y9-Y42 HydrophobicContact CE2-CD2 3.61Å; Y9-Y42 AromaticContact CE2-CE2 3.76Å; Y9-Y42 HydrophobicContact CE2-CE2 3.76Å; Y9-Y42 AromaticContact CG-CD2 3.91Å; Y9-Y42 HydrophobicContact CG-CD2 3.91Å; Y9-Y42 AromaticContact CZ-CD2 3.38Å; Y9-Y42 AromaticContact CZ-CE2 3.84Å; Y9-L112 PolarHBondContact N-O 3.45Å; Y9-L112 VanDerWaalsContact N-O 3.12Å; Y9-L112 PolarHBondContact O-N 3.21Å |
| 10 | L | 94.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.4 | 163.8 | -173.9 | 70.3 | 0 | 0 | 0 | 107.7 | L13 S40 V41 F43 A65 L99 I109 L110 L111 | L10-L13 HydrophobicContact CD2-CD1 4.18Å; L10-L13 HydrophobicContact CD2-CD2 3.89Å; L10-L13 HydrophobicContact CD2-CG 4.48Å; L10-L13 HydrophobicContact CG-CD1 4.23Å; L10-L13 HydrophobicContact CG-CD2 4.06Å; L10-L13 HydrophobicContact CG-CG 4.33Å; L10-S40 CarbonylContact O-C 3.6Å; L10-S40 WeakPolarHBondContact O-CA 3.24Å; L10-S40 WeakPolarHBondContact O-CB 3.39Å; L10-V41 PolarHBondContact N-O 3.17Å; L10-V41 PolarHBondContact O-N 2.87Å; L10-F43 HydrophobicContact CB-CD2 4.27Å; L10-F43 HydrophobicContact CB-CE2 3.73Å; L10-F43 HydrophobicContact CD2-CE2 4.03Å; L10-A65 HydrophobicContact CD1-CB 4.34Å; L10-A65 HydrophobicContact CD2-CB 3.99Å; L10-L99 HydrophobicContact CD1-CD1 3.88Å; L10-I109 HydrophobicContact CD1-CG2 3.54Å; L10-I109 HydrophobicContact CG-CG2 3.89Å; L10-L110 CarbonylContact C-O 2.84Å; L10-L110 WeakPolarHBondContact CA-O 3.17Å; L10-L111 HydrophobicContact CB-CD1 4.47Å; L10-L111 HydrophobicContact CD1-CB 4.04Å; L10-L111 HydrophobicContact CD1-CD1 4.12Å |
| 11 | V | 91.6 | Very high | 87.4 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.3 | -164.6 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | I109 L110 L112 | V11-I109 CarbonylContact O-C 3.5Å; V11-I109 VanDerWaalsContact O-CA 3.32Å; V11-I109 WeakPolarHBondContact O-CA 3.1Å; V11-I109 WeakPolarHBondContact O-CG2 3.47Å; V11-L110 HydrophobicContact CB-CB 4.44Å; V11-L110 PolarHBondContact N-O 2.89Å; V11-L110 PolarHBondContact O-N 2.75Å; V11-L112 HydrophobicContact CG2-CD1 4.28Å |
| 12 | G | 88 | Confident | 89.2 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 90.5 | 24 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 | G12-D39 PolarHBondContact N-O 3.21Š|
| 13 | L | 87 | Confident | 89.9 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -82.1 | 137.7 | -176.9 | -65.8 | 172.4 | 0 | 0 | 0 | 111.5 | L10 G15 R19 H38 D39 V41 L77 I109 | L10-L13 HydrophobicContact CD2-CD1 4.18Å; L10-L13 HydrophobicContact CD2-CD2 3.89Å; L10-L13 HydrophobicContact CD2-CG 4.48Å; L10-L13 HydrophobicContact CG-CD1 4.23Å; L10-L13 HydrophobicContact CG-CD2 4.06Å; L10-L13 HydrophobicContact CG-CG 4.33Å; L13-G15 PolarHBondContact O-N 3.23Å; L13-R19 HydrophobicContact CD1-CG 3.98Å; L13-H38 WeakPolarHBondContact CB-O 3.41Å; L13-D39 PolarHBondContact N-O 2.94Å; L13-D39 WeakPolarHBondContact O-CA 3.31Å; L13-V41 HydrophobicContact CD1-CB 4.06Å; L13-V41 HydrophobicContact CD1-CG2 3.66Å; L13-L77 HydrophobicContact CD2-CD1 3.84Å; L13-I109 HydrophobicContact CD2-CD1 4.26Å; L13-I109 HydrophobicContact CD2-CG2 3.83Å | ||
| 14 | T | 77.5 | Confident | 90 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 73% | 0.73 | 23% | 0.233 | S | C | * | . | trans | -87.7 | 105.8 | 174.2 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | R19 | T14-R19 PolarHBondContact O-NH2 2.88Š| ||
| 15 | G | 75.4 | Confident | 90 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 78.7 | 157.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L13 R19 | L13-G15 PolarHBondContact O-N 3.23Å; G15-R19 PolarHBondContact O-NH2 2.98Å |
| 16 | K | 76.4 | Confident | 89.6 | Confident | 175 Ų | 175 | 46 Ų | 46 | 76% | 0.761 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -61.2 | 133.5 | -170.6 | -131.3 | 166.9 | -171.2 | 172.4 | 0 | 113.7 | G37 H38 | K16-G37 CarbonylContact C-O 3.58Å; K16-G37 VanDerWaalsContact CA-O 3.28Å; K16-G37 WeakPolarHBondContact CA-O 3.32Å; K16-H38 HydrophobicContact CG-CB 4.31Å; K16-H38 PolarHBondContact N-CD2 3.39Å; K16-H38 VanDerWaalsContact N-CD2 3.33Å |
| 17 | G | 82.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -178.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R19 G37 | G17-R19 PolarHBondContact O-NH1 2.86Å; G17-G37 PolarHBondContact N-O 2.83Å; G17-G37 PolarHBondContact O-N 3Å |
| 18 | D | 90.8 | Very high | 88.4 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.5 | 179.7 | -64.1 | 54.2 | 0 | 0 | 0 | 112.2 | I34 T36 M68 | D18-I34 HydrophobicContact CB-CG2 3.72Å; D18-T36 HydrophobicContact CB-CG2 4.23Å; D18-T36 WeakPolarHBondContact OD1-CG2 3.33Å; D18-M68 HydrophobicContact CB-CB 3.78Å; D18-M68 HydrophobicContact CB-CG 3.97Å; D18-M68 PolarHBondContact O-N 2.88Å |
| 19 | R | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.8 | 177.1 | -57.2 | -59.4 | -168.9 | -79.2 | -1.2 | 111.3 | L13 T14 G15 G17 I34 A35 V41 F43 Y66 | L13-R19 HydrophobicContact CD1-CG 3.98Å; T14-R19 PolarHBondContact O-NH2 2.88Å; G15-R19 PolarHBondContact O-NH2 2.98Å; G17-R19 PolarHBondContact O-NH1 2.86Å; R19-I34 WeakPolarHBondContact O-CA 3.3Å; R19-A35 PolarHBondContact N-O 3.2Å; R19-A35 PolarHBondContact O-N 3.37Å; R19-V41 HydrophobicContact CB-CG1 4.47Å; R19-V41 HydrophobicContact CB-CG2 4.25Å; R19-V41 HydrophobicContact CG-CG2 3.82Å; R19-F43 HydrophobicContact CB-CZ 3.94Å; R19-Y66 WeakPolarHBondContact CA-O 3.48Å |
| 20 | R | 93.2 | Very high | 88 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142 | -178.9 | 171.6 | -177.3 | 175.8 | 178.5 | 8.1 | 109.4 | K22 N31 A65 Y66 M68 D74 | R20-K22 HydrophobicContact CG-CG 4.43Å; R20-N31 VanDerWaalsContact CZ-OD1 3.3Å; R20-N31 PolarHBondContact NE-OD1 3.49Å; R20-N31 PolarHBondContact NH2-OD1 2.91Å; R20-A65 CarbonylContact O-C 3.48Å; R20-Y66 PolarHBondContact N-O 3.42Å; R20-Y66 PolarHBondContact O-N 3.39Å; R20-M68 HydrophobicContact CB-CG 4.32Å; R20-M68 HydrophobicContact CB-SD 3.62Å; R20-M68 WeakPolarHBondContact CD-SD 3.41Å; R20-M68 HydrophobicContact CG-SD 4.22Å; R20-D74 IonicContact NH1-OD2 3.74Å; R20-D74 PolarHBondContact NH1-OD2 2.84Å; R20-D74 VanDerWaalsContact NH1-OD2 3.17Å |
| 21 | I | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.8 | 168.2 | -59.4 | 173.5 | 0 | 0 | 0 | 107.6 | L7 V23 S32 F43 L63 K64 A65 L111 | L7-I21 HydrophobicContact CD1-CB 4.34Å; L7-I21 HydrophobicContact CD1-CD1 4.27Å; L7-I21 HydrophobicContact CD1-CG2 4.45Å; L7-I21 HydrophobicContact CD2-CD1 4.04Å; I21-V23 HydrophobicContact CG2-CG2 4.01Å; I21-S32 PolarHBondContact N-OG 3.46Å; I21-S32 PolarHBondContact O-N 2.84Å; I21-F43 HydrophobicContact CD1-CD2 3.71Å; I21-F43 HydrophobicContact CD1-CE2 3.6Å; I21-F43 HydrophobicContact CD1-CG 4.29Å; I21-F43 HydrophobicContact CD1-CZ 4.1Å; I21-F43 HydrophobicContact CG1-CD2 4.41Å; I21-F43 HydrophobicContact CG1-CE1 4.39Å; I21-F43 HydrophobicContact CG1-CE2 3.9Å; I21-F43 HydrophobicContact CG1-CZ 3.89Å; I21-L63 HydrophobicContact CG2-CB 4.45Å; I21-L63 HydrophobicContact CG2-CD2 4.36Å; I21-K64 WeakPolarHBondContact CA-O 3.19Å; I21-A65 HydrophobicContact CG1-CB 4.33Å; I21-L111 HydrophobicContact CD1-CD1 3.55Å; I21-L111 HydrophobicContact CD1-CD2 4.14Å |
| 22 | K | 94.6 | Very high | 87.8 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.7 | 168.5 | -50.9 | -173.4 | -168.8 | 173.3 | 0 | 106.7 | R20 N31 K64 Y66 D74 | R20-K22 HydrophobicContact CG-CG 4.43Å; K22-N31 WeakPolarHBondContact CG-OD1 3.42Å; K22-K64 PolarHBondContact N-O 3.29Å; K22-K64 PolarHBondContact O-N 2.82Å; K22-Y66 HydrophobicContact CB-CD2 4.41Å; K22-Y66 HydrophobicContact CB-CE2 3.96Å; K22-Y66 HydrophobicContact CD-CD2 3.79Å; K22-Y66 HydrophobicContact CD-CE2 3.37Å; K22-Y66 HydrophobicContact CG-CD2 3.68Å; K22-Y66 HydrophobicContact CG-CE2 3.52Å; K22-D74 IonicContact NZ-OD2 2.9Å; K22-D74 PolarHBondContact NZ-OD2 3.44Å |
| 23 | V | 95.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.5 | -176.1 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | L5 L7 I21 K29 L30 I47 W49 L61 I62 L63 | L5-V23 HydrophobicContact CD2-CG1 4.11Å; L5-V23 HydrophobicContact CD2-CG2 4.14Å; L7-V23 HydrophobicContact CD1-CG2 4.49Å; I21-V23 HydrophobicContact CG2-CG2 4.01Å; V23-K29 CarbonylContact O-C 3.3Å; V23-K29 WeakPolarHBondContact O-CA 3.35Å; V23-L30 PolarHBondContact N-O 3.36Å; V23-L30 PolarHBondContact O-N 3.37Å; V23-I47 HydrophobicContact CG2-CD1 4.04Å; V23-W49 HydrophobicContact CB-CH2 4.44Å; V23-W49 HydrophobicContact CB-CZ2 4.18Å; V23-W49 HydrophobicContact CG1-CH2 3.59Å; V23-W49 HydrophobicContact CG1-CZ2 3.53Å; V23-L61 HydrophobicContact CG1-CD1 3.56Å; V23-L61 HydrophobicContact CG1-CG 4.42Å; V23-I62 WeakPolarHBondContact CA-O 3.49Å; V23-L63 HydrophobicContact CB-CD2 4.09Å; V23-L63 HydrophobicContact CG1-CD2 3.58Å; V23-L63 HydrophobicContact CG2-CD2 3.62Å |
| 24 | L | 92.5 | Very high | 88 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.5 | 172.2 | -172.5 | 77.9 | 0 | 0 | 0 | 108.7 | R26 K29 L61 I62 | L24-R26 WeakPolarHBondContact CD1-O 3.45Å; L24-R26 WeakPolarHBondContact CG-O 3.23Å; L24-K29 HydrophobicContact CD1-CD 4.37Å; L24-K29 HydrophobicContact CD1-CG 3.42Å; L24-K29 VanDerWaalsContact CD1-CG 3.42Å; L24-L61 WeakPolarHBondContact O-CA 3.15Å; L24-I62 HydrophobicContact CB-CB 4.2Å; L24-I62 HydrophobicContact CD2-CD1 4.08Å; L24-I62 HydrophobicContact CD2-CG1 4.48Å; L24-I62 PolarHBondContact N-O 3.43Å; L24-I62 PolarHBondContact O-N 2.62Å |
| 25 | F | 92.9 | Very high | 88.4 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.4 | 164 | 169 | -122.5 | 0 | 0 | 0 | 107.6 | L3 E27 A28 W49 V51 L55 D59 L61 L84 | L3-F25 HydrophobicContact CD2-CD1 4.1Å; L3-F25 HydrophobicContact CD2-CD2 4.11Å; L3-F25 HydrophobicContact CD2-CE1 4.09Å; L3-F25 HydrophobicContact CD2-CE2 4.12Å; L3-F25 HydrophobicContact CD2-CG 4.1Å; L3-F25 HydrophobicContact CD2-CZ 4.1Å; F25-E27 PolarHBondContact O-N 2.88Å; F25-A28 PolarHBondContact N-O 3.23Å; F25-A28 WeakPolarHBondContact O-CB 3.25Å; F25-A28 PolarHBondContact O-N 3.27Å; F25-W49 HydrophobicContact CB-CD2 4.23Å; F25-W49 HydrophobicContact CB-CZ2 4.32Å; F25-W49 HydrophobicContact CD1-CB 3.89Å; F25-W49 AromaticContact CD1-CD1 3.84Å; F25-W49 HydrophobicContact CD1-CD2 4.02Å; F25-W49 AromaticContact CD1-CG 3.64Å; F25-W49 HydrophobicContact CD1-CG 3.64Å; F25-W49 HydrophobicContact CE1-CB 4.18Å; F25-W49 HydrophobicContact CE1-CG 4.41Å; F25-V51 HydrophobicContact CE1-CG1 4.19Å; F25-V51 HydrophobicContact CZ-CG1 4.11Å; F25-L55 HydrophobicContact CE2-CD2 3.87Å; F25-L55 HydrophobicContact CZ-CD2 3.77Å; F25-D59 HydrophobicContact CE2-CB 4.13Å; F25-L61 HydrophobicContact CB-CD1 3.93Å; F25-L84 HydrophobicContact CD2-CD1 3.4Å; F25-L84 HydrophobicContact CE2-CD1 3.33Å; F25-L84 HydrophobicContact CG-CD1 4.48Å; F25-L84 HydrophobicContact CZ-CD1 4.36Å |
| 26 | R | 87.5 | Confident | 88.9 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -121.6 | -162.9 | -58 | 176.7 | -176.8 | 157.6 | 4.5 | 108.7 | L24 R53 D59 | L24-R26 WeakPolarHBondContact CD1-O 3.45Å; L24-R26 WeakPolarHBondContact CG-O 3.23Å; R26-R53 VanDerWaalsContact NH2-CG 3.34Å; R26-D59 WeakPolarHBondContact CG-OD1 3.25Å; R26-D59 IonicContact CZ-OD1 3.98Å; R26-D59 IonicContact CZ-OD2 2.88Å; R26-D59 IonicContact NE-OD1 2.77Å; R26-D59 PolarHBondContact NE-OD1 3.11Å; R26-D59 IonicContact NE-OD2 3.98Å; R26-D59 PolarHBondContact NE-OD2 2.94Å; R26-D59 IonicContact NH2-OD1 3.03Å; R26-D59 IonicContact NH2-OD2 2.7Å; R26-D59 PolarHBondContact NH2-OD2 3.41Å |
| 27 | E | 79.7 | Confident | 89.2 | Confident | 171 Ų | 171 | 58.6 Ų | 58.6 | 80% | 0.799 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.2 | 179.4 | -68.2 | 166.9 | -175.8 | 0 | 0 | 113.6 | F25 K29 | F25-E27 PolarHBondContact O-N 2.88Å; E27-K29 PolarHBondContact O-N 3.35Å |
| 28 | A | 84.2 | Confident | 88.9 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 107.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F25 L30 | F25-A28 PolarHBondContact N-O 3.23Å; F25-A28 WeakPolarHBondContact O-CB 3.25Å; F25-A28 PolarHBondContact O-N 3.27Å; A28-L30 PolarHBondContact O-N 2.9Å |
| 29 | K | 87.6 | Confident | 88.4 | Confident | 165 Ų | 165 | 63.2 Ų | 63.2 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 87.6 | -178.5 | -69.2 | 156.4 | -170.3 | 154.3 | 0 | 111.6 | V23 L24 E27 | V23-K29 CarbonylContact O-C 3.3Å; V23-K29 WeakPolarHBondContact O-CA 3.35Å; L24-K29 HydrophobicContact CD1-CD 4.37Å; L24-K29 HydrophobicContact CD1-CG 3.42Å; L24-K29 VanDerWaalsContact CD1-CG 3.42Å; E27-K29 PolarHBondContact O-N 3.35Å |
| 30 | L | 89.7 | Confident | 88.1 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 163.1 | 177.4 | -64.4 | -176.1 | 0 | 0 | 0 | 112.7 | V23 A28 I47 W49 | V23-L30 PolarHBondContact N-O 3.36Å; V23-L30 PolarHBondContact O-N 3.37Å; A28-L30 PolarHBondContact O-N 2.9Å; L30-I47 HydrophobicContact CB-CG2 4.23Å; L30-I47 HydrophobicContact CD1-CG2 3.46Å; L30-I47 VanDerWaalsContact CD1-CG2 3.46Å; L30-I47 HydrophobicContact CG-CG2 4.5Å; L30-W49 HydrophobicContact CB-CZ2 4.45Å; L30-W49 HydrophobicContact CD1-CZ2 3.98Å |
| 31 | N | 90.9 | Very high | 87.9 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.8 | -175.2 | -66.4 | -87.8 | 0 | 0 | 0 | 110.6 | R20 K22 | R20-N31 VanDerWaalsContact CZ-OD1 3.3Å; R20-N31 PolarHBondContact NE-OD1 3.49Å; R20-N31 PolarHBondContact NH2-OD1 2.91Å; K22-N31 WeakPolarHBondContact CG-OD1 3.42Å |
| 32 | S | 91.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 69 Ų | 69 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 159 | 166.1 | 80.7 | 0 | 0 | 0 | 0 | 110.6 | I21 F43 | I21-S32 PolarHBondContact N-OG 3.46Å; I21-S32 PolarHBondContact O-N 2.84Å; S32-F43 WeakPolarHBondContact OG-CD1 3.17Å; S32-F43 VanDerWaalsContact OG-CE1 3.26Å; S32-F43 WeakPolarHBondContact OG-CE1 3.48Å |
| 33 | R | 88 | Confident | 87.6 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 147.6 | 158.2 | 63.8 | 178.6 | 170.7 | 176.8 | -5.4 | 109.7 | A35 F43 G44 | R33-A35 PolarHBondContact O-N 3.43Å; R33-F43 PolarHBondContact NE-O 3.12Å; R33-F43 PolarHBondContact NH2-O 2.82Å; R33-F43 WeakPolarHBondContact O-CE1 3.5Å; R33-G44 PolarHBondContact NH2-O 3.03Å |
| 34 | I | 89.9 | Confident | 87.2 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 45% | 0.451 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 129.1 | 168.1 | -60.4 | 172.8 | 0 | 0 | 0 | 107.1 | D18 R19 M68 | D18-I34 HydrophobicContact CB-CG2 3.72Å; R19-I34 WeakPolarHBondContact O-CA 3.3Å; I34-M68 HydrophobicContact CD1-CE 3.99Å; I34-M68 HydrophobicContact CD1-CG 4.26Å; I34-M68 HydrophobicContact CD1-SD 4.34Å; I34-M68 HydrophobicContact CG1-CG 4.33Å; I34-M68 HydrophobicContact CG1-SD 4.42Å; I34-M68 HydrophobicContact CG2-CG 4.18Å |
| 35 | A | 86.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.3 | -180 | 0 | 0 | 0 | 0 | 0 | 109.9 | R19 R33 V41 F43 | R19-A35 PolarHBondContact N-O 3.2Å; R19-A35 PolarHBondContact O-N 3.37Å; R33-A35 PolarHBondContact O-N 3.43Å; A35-V41 HydrophobicContact CB-CG1 3.4Å; A35-F43 HydrophobicContact CB-CD1 3.95Å; A35-F43 HydrophobicContact CB-CE1 3.86Å |
| 36 | T | 86.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 63% | 0.632 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.6 | -174.9 | 38 | 0 | 0 | 0 | 0 | 111.2 | D18 | D18-T36 HydrophobicContact CB-CG2 4.23Å; D18-T36 WeakPolarHBondContact OD1-CG2 3.33Å |
| 37 | G | 81.5 | Confident | 87.2 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | -173.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | K16 G17 | K16-G37 CarbonylContact C-O 3.58Å; K16-G37 VanDerWaalsContact CA-O 3.28Å; K16-G37 WeakPolarHBondContact CA-O 3.32Å; G17-G37 PolarHBondContact N-O 2.83Å; G17-G37 PolarHBondContact O-N 3Å |
| 38 | H | 78 | Confident | 87.5 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -113.3 | -89.3 | 175.9 | -161.8 | -86.1 | 0 | 0 | 0 | 109.3 | L13 K16 | L13-H38 WeakPolarHBondContact CB-O 3.41Å; K16-H38 HydrophobicContact CG-CB 4.31Å; K16-H38 PolarHBondContact N-CD2 3.39Å; K16-H38 VanDerWaalsContact N-CD2 3.33Å |
| 39 | D | 79.1 | Confident | 87.7 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -87 | -19.7 | -176.4 | -37.4 | -77.9 | 0 | 0 | 0 | 112.8 | G12 L13 | G12-D39 PolarHBondContact N-O 3.21Å; L13-D39 PolarHBondContact N-O 2.94Å; L13-D39 WeakPolarHBondContact O-CA 3.31Å |
| 40 | S | 86.3 | Confident | 87.5 | Confident | 57 Ų | 57 | 62 Ų | 62 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160.1 | 169.5 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | L10 | L10-S40 CarbonylContact O-C 3.6Å; L10-S40 WeakPolarHBondContact O-CA 3.24Å; L10-S40 WeakPolarHBondContact O-CB 3.39Å |
| 41 | V | 89.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.6 | 177.5 | 168.4 | 0 | 0 | 0 | 0 | 108.8 | Y9 L10 L13 R19 A35 F43 | Y9-V41 WeakPolarHBondContact CA-O 3.26Å; L10-V41 PolarHBondContact N-O 3.17Å; L10-V41 PolarHBondContact O-N 2.87Å; L13-V41 HydrophobicContact CD1-CB 4.06Å; L13-V41 HydrophobicContact CD1-CG2 3.66Å; R19-V41 HydrophobicContact CB-CG1 4.47Å; R19-V41 HydrophobicContact CB-CG2 4.25Å; R19-V41 HydrophobicContact CG-CG2 3.82Å; A35-V41 HydrophobicContact CB-CG1 3.4Å; V41-F43 HydrophobicContact CB-CE2 4.29Å; V41-F43 HydrophobicContact CG1-CD2 4.06Å; V41-F43 HydrophobicContact CG1-CE1 4.26Å; V41-F43 HydrophobicContact CG1-CE2 3.67Å; V41-F43 HydrophobicContact CG1-CZ 3.78Å |
| 42 | Y | 91.4 | Very high | 86 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 48% | 0.478 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.4 | 170.6 | -176.8 | -118.6 | 0 | 0 | 0 | 109.9 | K8 Y9 | K8-Y42 HydrophobicContact CB-CE2 4.23Å; K8-Y42 CarbonylContact O-C 3.28Å; K8-Y42 WeakPolarHBondContact O-CA 3.38Å; K8-Y42 WeakPolarHBondContact O-CD2 3.18Å; Y9-Y42 AromaticContact CD1-CD2 3.7Å; Y9-Y42 HydrophobicContact CD1-CD2 3.7Å; Y9-Y42 HydrophobicContact CD1-CG 4.27Å; Y9-Y42 AromaticContact CD2-CD2 3.88Å; Y9-Y42 HydrophobicContact CD2-CD2 3.88Å; Y9-Y42 HydrophobicContact CD2-CE2 4.22Å; Y9-Y42 AromaticContact CE1-CD2 3.44Å; Y9-Y42 HydrophobicContact CE1-CD2 3.44Å; Y9-Y42 VanDerWaalsContact CE1-CD2 3.44Å; Y9-Y42 HydrophobicContact CE1-CE2 4.35Å; Y9-Y42 AromaticContact CE1-CG 3.88Å; Y9-Y42 HydrophobicContact CE1-CG 3.88Å; Y9-Y42 AromaticContact CE2-CD2 3.61Å; Y9-Y42 HydrophobicContact CE2-CD2 3.61Å; Y9-Y42 AromaticContact CE2-CE2 3.76Å; Y9-Y42 HydrophobicContact CE2-CE2 3.76Å; Y9-Y42 AromaticContact CG-CD2 3.91Å; Y9-Y42 HydrophobicContact CG-CD2 3.91Å; Y9-Y42 AromaticContact CZ-CD2 3.38Å; Y9-Y42 AromaticContact CZ-CE2 3.84Å |
| 43 | F | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -38.8 | 175.4 | -75.7 | -78.8 | 0 | 0 | 0 | 111.7 | L7 K8 L10 R19 I21 S32 R33 A35 V41 Q45 | L7-F43 HydrophobicContact CB-CB 4.01Å; K8-F43 PolarHBondContact O-N 3.26Å; L10-F43 HydrophobicContact CB-CD2 4.27Å; L10-F43 HydrophobicContact CB-CE2 3.73Å; L10-F43 HydrophobicContact CD2-CE2 4.03Å; R19-F43 HydrophobicContact CB-CZ 3.94Å; I21-F43 HydrophobicContact CD1-CD2 3.71Å; I21-F43 HydrophobicContact CD1-CE2 3.6Å; I21-F43 HydrophobicContact CD1-CG 4.29Å; I21-F43 HydrophobicContact CD1-CZ 4.1Å; I21-F43 HydrophobicContact CG1-CD2 4.41Å; I21-F43 HydrophobicContact CG1-CE1 4.39Å; I21-F43 HydrophobicContact CG1-CE2 3.9Å; I21-F43 HydrophobicContact CG1-CZ 3.89Å; S32-F43 WeakPolarHBondContact OG-CD1 3.17Å; S32-F43 VanDerWaalsContact OG-CE1 3.26Å; S32-F43 WeakPolarHBondContact OG-CE1 3.48Å; R33-F43 PolarHBondContact NE-O 3.12Å; R33-F43 PolarHBondContact NH2-O 2.82Å; R33-F43 WeakPolarHBondContact O-CE1 3.5Å; A35-F43 HydrophobicContact CB-CD1 3.95Å; A35-F43 HydrophobicContact CB-CE1 3.86Å; V41-F43 HydrophobicContact CB-CE2 4.29Å; V41-F43 HydrophobicContact CG1-CD2 4.06Å; V41-F43 HydrophobicContact CG1-CE1 4.26Å; V41-F43 HydrophobicContact CG1-CE2 3.67Å; V41-F43 HydrophobicContact CG1-CZ 3.78Å; F43-Q45 VanDerWaalsContact C-N 3.26Å; F43-Q45 PolarHBondContact O-N 2.8Å; F43-Q45 VanDerWaalsContact O-N 3.15Å |
| 44 | G | 86.3 | Confident | 85.1 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 43.5 | 48.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | L7 K8 R33 | L7-G44 VanDerWaalsContact O-CA 3.27Å; L7-G44 WeakPolarHBondContact O-CA 3.27Å; L7-G44 PolarHBondContact O-N 3.33Å; K8-G44 PolarHBondContact O-N 3.26Å; R33-G44 PolarHBondContact NH2-O 3.03Å |
| 45 | Q | 91.2 | Very high | 84.9 | Confident | 50 Ų | 50 | 57 Ų | 57 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.9 | -171.1 | 178.4 | -179.6 | -5.2 | 0 | 0 | 111 | L7 F43 I47 | L7-Q45 PolarHBondContact N-O 3.08Å; L7-Q45 PolarHBondContact O-N 3.38Å; F43-Q45 VanDerWaalsContact C-N 3.26Å; F43-Q45 PolarHBondContact O-N 2.8Å; F43-Q45 VanDerWaalsContact O-N 3.15Å; Q45-I47 HydrophobicContact CG-CG1 4.18Å |
| 46 | R | 91.6 | Very high | 84.8 | Confident | 142 Ų | 142 | 58 Ų | 58 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.3 | 166.5 | -171.5 | 160.5 | -72.2 | -179.7 | -3.6 | 110.6 | I4 L5 D6 | I4-R46 HydrophobicContact CG2-CG 3.58Å; L5-R46 CarbonylContact O-C 3.33Å; L5-R46 WeakPolarHBondContact O-CA 3.35Å; D6-R46 WeakPolarHBondContact OD1-CA 3.14Å; D6-R46 WeakPolarHBondContact OD1-CB 2.97Å; D6-R46 VanDerWaalsContact OD1-CG 3.29Å; D6-R46 WeakPolarHBondContact OD1-CG 3.48Å; D6-R46 IonicContact OD1-CZ 2.69Å; D6-R46 IonicContact OD1-NE 3.56Å; D6-R46 PolarHBondContact OD1-NE 2.82Å; D6-R46 IonicContact OD1-NH2 3Å; D6-R46 IonicContact OD2-CZ 2.91Å; D6-R46 IonicContact OD2-NE 3.54Å; D6-R46 PolarHBondContact OD2-NE 3.38Å; D6-R46 IonicContact OD2-NH2 2.99Å; D6-R46 PolarHBondContact OD2-NH2 3.44Å |
| 47 | I | 90.5 | Very high | 84.8 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.6 | 170.2 | -55.9 | -179.7 | 0 | 0 | 0 | 106.3 | L5 L7 V23 L30 Q45 W49 | L5-I47 PolarHBondContact N-O 3.01Å; L5-I47 PolarHBondContact O-N 2.84Å; L7-I47 HydrophobicContact CD1-CD1 3.77Å; V23-I47 HydrophobicContact CG2-CD1 4.04Å; L30-I47 HydrophobicContact CB-CG2 4.23Å; L30-I47 HydrophobicContact CD1-CG2 3.46Å; L30-I47 VanDerWaalsContact CD1-CG2 3.46Å; L30-I47 HydrophobicContact CG-CG2 4.5Å; Q45-I47 HydrophobicContact CG-CG1 4.18Å; I47-W49 HydrophobicContact CB-CH2 4.03Å; I47-W49 HydrophobicContact CB-CZ3 4.34Å; I47-W49 HydrophobicContact CG2-CH2 3.45Å; I47-W49 VanDerWaalsContact CG2-CH2 3.45Å; I47-W49 HydrophobicContact CG2-CZ2 3.59Å; I47-W49 HydrophobicContact CG2-CZ3 3.96Å |
| 48 | S | 86.4 | Confident | 85 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.5 | -176.9 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | L3 | L3-S48 CarbonylContact O-C 3.23Å; L3-S48 VanDerWaalsContact O-CA 3.29Å; L3-S48 WeakPolarHBondContact O-CA 3.12Å |
| 49 | W | 88 | Confident | 85.7 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133 | 170.7 | -59.3 | -99.7 | 0 | 0 | 0 | 109 | S2 L3 L5 V23 F25 L30 I47 L61 | S2-W49 CarbonylContact C-O 3.48Å; S2-W49 WeakPolarHBondContact CA-O 3.5Å; S2-W49 WeakPolarHBondContact CB-O 3.39Å; L3-W49 HydrophobicContact CB-CE3 4.44Å; L3-W49 HydrophobicContact CD2-CE3 4.24Å; L3-W49 HydrophobicContact CG-CE3 4.29Å; L3-W49 PolarHBondContact N-O 3.32Å; L3-W49 PolarHBondContact O-N 3.48Å; L5-W49 HydrophobicContact CB-CH2 4.04Å; L5-W49 HydrophobicContact CB-CZ3 3.69Å; L5-W49 HydrophobicContact CD2-CH2 3.93Å; L5-W49 HydrophobicContact CD2-CZ3 4.41Å; V23-W49 HydrophobicContact CB-CH2 4.44Å; V23-W49 HydrophobicContact CB-CZ2 4.18Å; V23-W49 HydrophobicContact CG1-CH2 3.59Å; V23-W49 HydrophobicContact CG1-CZ2 3.53Å; F25-W49 HydrophobicContact CB-CD2 4.23Å; F25-W49 HydrophobicContact CB-CZ2 4.32Å; F25-W49 HydrophobicContact CD1-CB 3.89Å; F25-W49 AromaticContact CD1-CD1 3.84Å; F25-W49 HydrophobicContact CD1-CD2 4.02Å; F25-W49 AromaticContact CD1-CG 3.64Å; F25-W49 HydrophobicContact CD1-CG 3.64Å; F25-W49 HydrophobicContact CE1-CB 4.18Å; F25-W49 HydrophobicContact CE1-CG 4.41Å; L30-W49 HydrophobicContact CB-CZ2 4.45Å; L30-W49 HydrophobicContact CD1-CZ2 3.98Å; I47-W49 HydrophobicContact CB-CH2 4.03Å; I47-W49 HydrophobicContact CB-CZ3 4.34Å; I47-W49 HydrophobicContact CG2-CH2 3.45Å; I47-W49 VanDerWaalsContact CG2-CH2 3.45Å; I47-W49 HydrophobicContact CG2-CZ2 3.59Å; I47-W49 HydrophobicContact CG2-CZ3 3.96Å; W49-L61 HydrophobicContact CH2-CD1 4.13Å |
| 50 | P | 82.6 | Confident | 86.5 | Confident | 115 Ų | 115 | 58.2 Ų | 58.2 | 75% | 0.747 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 140.6 | 160.1 | 29.5 | -32.5 | 0 | 0 | 0 | 109 | M1 | M1-P50 CarbonylContact O-C 3.5Å; M1-P50 VanDerWaalsContact O-CA 3.31Å; M1-P50 WeakPolarHBondContact O-CA 3.45Å |
| 51 | V | 77.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | trans | -122.7 | 123.1 | 170.6 | -126.4 | 0 | 0 | 0 | 0 | 108 | M1 L3 F25 R53 Y117 | M1-V51 PolarHBondContact O-N 3.46Å; L3-V51 HydrophobicContact CB-CG2 4.06Å; L3-V51 VanDerWaalsContact N-CG2 3.29Å; F25-V51 HydrophobicContact CE1-CG1 4.19Å; F25-V51 HydrophobicContact CZ-CG1 4.11Å; V51-R53 WeakPolarHBondContact CG1-O 3.42Å; V51-Y117 HydrophobicContact CG2-CD2 4.48Å; V51-Y117 HydrophobicContact CG2-CE2 4.16Å | ||
| 52 | S | 72.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 71% | 0.713 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -86 | -52 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | P120 | S52-P120 WeakPolarHBondContact O-CB 3.47Å; S52-P120 WeakPolarHBondContact O-CG 3.23Å |
| 53 | R | 80.1 | Confident | 87.4 | Confident | 108 Ų | 108 | 51.7 Ų | 51.7 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -88.6 | 149.4 | 170.7 | 77.5 | -179.1 | -158.6 | 114.1 | 6.9 | 111.7 | R26 V51 D56 D59 | R26-R53 VanDerWaalsContact NH2-CG 3.34Å; V51-R53 WeakPolarHBondContact CG1-O 3.42Å; R53-D56 IonicContact CZ-OD1 2.73Å; R53-D56 IonicContact CZ-OD2 3.33Å; R53-D56 VanDerWaalsContact CZ-OD2 3.26Å; R53-D56 IonicContact NH1-OD2 3.04Å; R53-D56 PolarHBondContact NH1-OD2 2.84Å; R53-D56 IonicContact NH2-OD1 3.77Å; R53-D56 PolarHBondContact NH2-OD1 3.44Å; R53-D56 IonicContact NH2-OD2 2.74Å; R53-D56 PolarHBondContact NH2-OD2 3.08Å; R53-D59 IonicContact CZ-OD2 2.64Å; R53-D59 IonicContact NE-OD2 3.45Å; R53-D59 IonicContact NH2-OD1 2.68Å; R53-D59 PolarHBondContact NH2-OD1 2.88Å; R53-D59 IonicContact NH2-OD2 2.64Å; R53-D59 PolarHBondContact NH2-OD2 3.3Å |
| 54 | S | 79 | Confident | 87.6 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -62 | 154.5 | 172.1 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | Y117 | S54-Y117 WeakPolarHBondContact CA-OH 3.44Å; S54-Y117 WeakPolarHBondContact CB-OH 3.19Å; S54-Y117 PolarHBondContact OG-OH 2.66Å |
| 55 | L | 87.1 | Confident | 88 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.9 | 172.1 | -63 | 166.8 | 0 | 0 | 0 | 111.2 | F25 D59 L84 L87 T88 Y117 | F25-L55 HydrophobicContact CE2-CD2 3.87Å; F25-L55 HydrophobicContact CZ-CD2 3.77Å; L55-D59 WeakPolarHBondContact CA-OD2 3.26Å; L55-D59 HydrophobicContact CD2-CB 3.8Å; L55-L84 HydrophobicContact CD1-CB 3.97Å; L55-L84 HydrophobicContact CD2-CB 3.98Å; L55-L84 HydrophobicContact CD2-CD1 4.02Å; L55-L84 HydrophobicContact CG-CB 4.47Å; L55-L87 HydrophobicContact CD1-CB 4.15Å; L55-L87 HydrophobicContact CD1-CD1 4.47Å; L55-T88 HydrophobicContact CB-CG2 3.79Å; L55-Y117 HydrophobicContact CB-CE2 4.49Å; L55-Y117 HydrophobicContact CD1-CD1 3.91Å; L55-Y117 HydrophobicContact CD1-CD2 3.37Å; L55-Y117 HydrophobicContact CD1-CE1 4.05Å; L55-Y117 HydrophobicContact CD1-CE2 3.55Å; L55-Y117 HydrophobicContact CD1-CG 3.54Å; L55-Y117 HydrophobicContact CG-CD2 3.89Å; L55-Y117 HydrophobicContact CG-CE1 4.41Å; L55-Y117 HydrophobicContact CG-CE2 3.54Å; L55-Y117 HydrophobicContact CG-CG 4.45Å; L55-Y117 PolarHBondContact N-OH 2.81Å; L55-Y117 VanDerWaalsContact N-OH 3.15Å |
| 56 | D | 84.9 | Confident | 88.1 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | trans | -122.9 | -178.6 | 172.9 | 67.6 | 7 | 0 | 0 | 0 | 112 | R53 K58 D59 | R53-D56 IonicContact CZ-OD1 2.73Å; R53-D56 IonicContact CZ-OD2 3.33Å; R53-D56 VanDerWaalsContact CZ-OD2 3.26Å; R53-D56 IonicContact NH1-OD2 3.04Å; R53-D56 PolarHBondContact NH1-OD2 2.84Å; R53-D56 IonicContact NH2-OD1 3.77Å; R53-D56 PolarHBondContact NH2-OD1 3.44Å; R53-D56 IonicContact NH2-OD2 2.74Å; R53-D56 PolarHBondContact NH2-OD2 3.08Å; D56-K58 PolarHBondContact O-N 3.35Å; D56-K58 VanDerWaalsContact O-N 3.14Å; D56-K58 PolarHBondContact OD1-N 3.29Å; D56-K58 VanDerWaalsContact OD1-N 3.11Å; D56-D59 PolarHBondContact N-OD2 2.74Å; D56-D59 PolarHBondContact O-N 2.74Å; D56-D59 PolarHBondContact OD1-N 2.89Å | ||
| 57 | D | 84.8 | Confident | 88 | Confident | 98 Ų | 98 | 49 Ų | 49 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12 | -179.7 | 69.4 | -44.9 | 0 | 0 | 0 | 114.2 | N83 | D57-N83 PolarHBondContact O-ND2 3.42Š|
| 58 | K | 86.7 | Confident | 87.9 | Confident | 157 Ų | 157 | 50.6 Ų | 50.6 | 68% | 0.683 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -17.3 | -179.2 | -62.5 | 166.6 | -168.6 | 169.8 | 0 | 112.8 | D56 V60 | D56-K58 PolarHBondContact O-N 3.35Å; D56-K58 VanDerWaalsContact O-N 3.14Å; D56-K58 PolarHBondContact OD1-N 3.29Å; D56-K58 VanDerWaalsContact OD1-N 3.11Å; K58-V60 PolarHBondContact O-N 2.89Å; K58-V60 VanDerWaalsContact O-N 3.11Å |
| 59 | D | 92.8 | Very high | 87.6 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | trans | -69.7 | 106.2 | 176.6 | -84.2 | -30.4 | 0 | 0 | 0 | 110.6 | F25 R26 R53 L55 D56 L84 | F25-D59 HydrophobicContact CE2-CB 4.13Å; R26-D59 WeakPolarHBondContact CG-OD1 3.25Å; R26-D59 IonicContact CZ-OD1 3.98Å; R26-D59 IonicContact CZ-OD2 2.88Å; R26-D59 IonicContact NE-OD1 2.77Å; R26-D59 PolarHBondContact NE-OD1 3.11Å; R26-D59 IonicContact NE-OD2 3.98Å; R26-D59 PolarHBondContact NE-OD2 2.94Å; R26-D59 IonicContact NH2-OD1 3.03Å; R26-D59 IonicContact NH2-OD2 2.7Å; R26-D59 PolarHBondContact NH2-OD2 3.41Å; R53-D59 IonicContact CZ-OD2 2.64Å; R53-D59 IonicContact NE-OD2 3.45Å; R53-D59 IonicContact NH2-OD1 2.68Å; R53-D59 PolarHBondContact NH2-OD1 2.88Å; R53-D59 IonicContact NH2-OD2 2.64Å; R53-D59 PolarHBondContact NH2-OD2 3.3Å; L55-D59 WeakPolarHBondContact CA-OD2 3.26Å; L55-D59 HydrophobicContact CD2-CB 3.8Å; D56-D59 PolarHBondContact N-OD2 2.74Å; D56-D59 PolarHBondContact O-N 2.74Å; D56-D59 PolarHBondContact OD1-N 2.89Å; D59-L84 HydrophobicContact CB-CD1 4.49Å; D59-L84 VanDerWaalsContact O-CB 3.29Å; D59-L84 WeakPolarHBondContact O-CB 3.48Å; D59-L84 PolarHBondContact O-N 2.8Å | ||
| 60 | V | 94.2 | Very high | 87 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.6 | -176.9 | 173 | 0 | 0 | 0 | 0 | 110.6 | K58 I62 S81 I82 | K58-V60 PolarHBondContact O-N 2.89Å; K58-V60 VanDerWaalsContact O-N 3.11Å; V60-I62 HydrophobicContact CG1-CG1 3.98Å; V60-S81 WeakPolarHBondContact CG1-OG 3.32Å; V60-I82 CarbonylContact C-O 3.54Å; V60-I82 WeakPolarHBondContact CA-O 3.32Å |
| 61 | L | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.5 | 170.4 | -176.1 | 74 | 0 | 0 | 0 | 109.7 | L5 V23 L24 F25 W49 L63 S81 I82 L84 L115 | L5-L61 HydrophobicContact CD1-CD2 4.43Å; V23-L61 HydrophobicContact CG1-CD1 3.56Å; V23-L61 HydrophobicContact CG1-CG 4.42Å; L24-L61 WeakPolarHBondContact O-CA 3.15Å; F25-L61 HydrophobicContact CB-CD1 3.93Å; W49-L61 HydrophobicContact CH2-CD1 4.13Å; L61-L63 HydrophobicContact CD2-CD1 4.31Å; L61-L63 HydrophobicContact CD2-CD2 4.3Å; L61-L63 HydrophobicContact CD2-CG 4.3Å; L61-L63 HydrophobicContact CG-CD2 4.31Å; L61-L63 HydrophobicContact CG-CG 4.31Å; L61-S81 WeakPolarHBondContact O-CA 3.47Å; L61-I82 HydrophobicContact CB-CB 4.46Å; L61-I82 HydrophobicContact CD2-CD1 4.12Å; L61-I82 PolarHBondContact N-O 3.3Å; L61-I82 PolarHBondContact O-N 2.72Å; L61-L84 HydrophobicContact CB-CD1 4.02Å; L61-L84 HydrophobicContact CB-CD2 3.86Å; L61-L84 HydrophobicContact CB-CG 4.04Å; L61-L84 HydrophobicContact CD2-CD2 4.46Å; L61-L115 HydrophobicContact CD2-CD1 3.83Å; L61-L115 HydrophobicContact CD2-CD2 3.83Å; L61-L115 HydrophobicContact CD2-CG 4.37Å |
| 62 | I | 95.5 | Very high | 86.3 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.9 | 176.1 | -44.6 | -175.8 | 0 | 0 | 0 | 110 | V23 L24 V60 K64 L80 | V23-I62 WeakPolarHBondContact CA-O 3.49Å; L24-I62 HydrophobicContact CB-CB 4.2Å; L24-I62 HydrophobicContact CD2-CD1 4.08Å; L24-I62 HydrophobicContact CD2-CG1 4.48Å; L24-I62 PolarHBondContact N-O 3.43Å; L24-I62 PolarHBondContact O-N 2.62Å; V60-I62 HydrophobicContact CG1-CG1 3.98Å; I62-K64 HydrophobicContact CG2-CG 4.07Å; I62-L80 CarbonylContact C-O 3.05Å; I62-L80 WeakPolarHBondContact CA-O 3.32Å; I62-L80 WeakPolarHBondContact CG2-O 3.32Å |
| 63 | L | 96.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119 | 178.4 | -60.5 | 172.2 | 0 | 0 | 0 | 108.7 | L5 I21 V23 L61 S79 L80 I82 L111 F113 | L5-L63 HydrophobicContact CD2-CD2 3.76Å; I21-L63 HydrophobicContact CG2-CB 4.45Å; I21-L63 HydrophobicContact CG2-CD2 4.36Å; V23-L63 HydrophobicContact CB-CD2 4.09Å; V23-L63 HydrophobicContact CG1-CD2 3.58Å; V23-L63 HydrophobicContact CG2-CD2 3.62Å; L61-L63 HydrophobicContact CD2-CD1 4.31Å; L61-L63 HydrophobicContact CD2-CD2 4.3Å; L61-L63 HydrophobicContact CD2-CG 4.3Å; L61-L63 HydrophobicContact CG-CD2 4.31Å; L61-L63 HydrophobicContact CG-CG 4.31Å; L63-S79 CarbonylContact O-C 3.54Å; L63-S79 WeakPolarHBondContact O-CA 3.14Å; L63-L80 HydrophobicContact CB-CB 4.4Å; L63-L80 HydrophobicContact CD1-CD2 4.29Å; L63-L80 PolarHBondContact N-O 3.48Å; L63-L80 PolarHBondContact O-N 3.32Å; L63-I82 HydrophobicContact CD1-CD1 3.82Å; L63-I82 HydrophobicContact CG-CD1 4.45Å; L63-L111 HydrophobicContact CB-CD2 4.01Å; L63-L111 HydrophobicContact CD1-CD2 3.9Å; L63-F113 HydrophobicContact CD1-CD1 4.22Å; L63-F113 HydrophobicContact CD1-CD2 4.36Å; L63-F113 HydrophobicContact CD1-CE1 3.95Å; L63-F113 HydrophobicContact CD1-CE2 4.09Å; L63-F113 HydrophobicContact CD1-CG 4.42Å; L63-F113 HydrophobicContact CD1-CZ 3.89Å |
| 64 | K | 95.7 | Very high | 86.7 | Confident | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 113.4 | 180 | -59.5 | -157.7 | 176.7 | -173.2 | 0 | 110.4 | I21 K22 I62 Y66 L76 | I21-K64 WeakPolarHBondContact CA-O 3.19Å; K22-K64 PolarHBondContact N-O 3.29Å; K22-K64 PolarHBondContact O-N 2.82Å; I62-K64 HydrophobicContact CG2-CG 4.07Å; K64-Y66 HydrophobicContact CB-CD2 4.48Å; K64-Y66 HydrophobicContact CB-CE2 3.66Å; K64-Y66 VanDerWaalsContact O-CD2 3.29Å; K64-Y66 WeakPolarHBondContact O-CD2 3.29Å; K64-Y66 WeakPolarHBondContact O-CE2 3.36Å; K64-L76 HydrophobicContact CB-CD1 3.96Å; K64-L76 HydrophobicContact CD-CD1 4.45Å |
| 65 | A | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L10 R20 I21 L77 G78 L99 | L10-A65 HydrophobicContact CD1-CB 4.34Å; L10-A65 HydrophobicContact CD2-CB 3.99Å; R20-A65 CarbonylContact O-C 3.48Å; I21-A65 HydrophobicContact CG1-CB 4.33Å; A65-L77 HydrophobicContact CB-CB 4.37Å; A65-L77 PolarHBondContact O-N 2.87Å; A65-G78 PolarHBondContact N-O 2.91Å; A65-L99 HydrophobicContact CB-CD1 3.46Å; A65-L99 VanDerWaalsContact CB-CD1 3.46Å |
| 66 | Y | 93.6 | Very high | 87.3 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.5 | -178.8 | -67.2 | -100.5 | 0 | 0 | 0 | 111 | R19 R20 K22 K64 D74 S75 L76 | R19-Y66 WeakPolarHBondContact CA-O 3.48Å; R20-Y66 PolarHBondContact N-O 3.42Å; R20-Y66 PolarHBondContact O-N 3.39Å; K22-Y66 HydrophobicContact CB-CD2 4.41Å; K22-Y66 HydrophobicContact CB-CE2 3.96Å; K22-Y66 HydrophobicContact CD-CD2 3.79Å; K22-Y66 HydrophobicContact CD-CE2 3.37Å; K22-Y66 HydrophobicContact CG-CD2 3.68Å; K22-Y66 HydrophobicContact CG-CE2 3.52Å; K64-Y66 HydrophobicContact CB-CD2 4.48Å; K64-Y66 HydrophobicContact CB-CE2 3.66Å; K64-Y66 VanDerWaalsContact O-CD2 3.29Å; K64-Y66 WeakPolarHBondContact O-CD2 3.29Å; K64-Y66 WeakPolarHBondContact O-CE2 3.36Å; Y66-D74 HydrophobicContact CD1-CB 3.64Å; Y66-D74 HydrophobicContact CE1-CB 4.42Å; Y66-D74 HydrophobicContact CG-CB 4.22Å; Y66-S75 CarbonylContact C-O 3.46Å; Y66-S75 WeakPolarHBondContact CA-O 3.38Å; Y66-L76 HydrophobicContact CD1-CB 4.28Å; Y66-L76 HydrophobicContact CD1-CD1 4.35Å; Y66-L76 HydrophobicContact CD2-CD1 4.33Å; Y66-L76 HydrophobicContact CE1-CB 4.05Å; Y66-L76 HydrophobicContact CE1-CD1 3.9Å; Y66-L76 HydrophobicContact CE2-CD1 3.85Å |
| 67 | Q | 89.8 | Confident | 87.6 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.8 | 161.2 | -178.7 | 166.8 | 0.8 | 0 | 0 | 108.9 | S75 L77 | Q67-S75 PolarHBondContact N-O 2.82Å; Q67-S75 PolarHBondContact O-N 3.39Å; Q67-L77 HydrophobicContact CB-CD1 4.1Å; Q67-L77 HydrophobicContact CB-CD2 4.11Å; Q67-L77 HydrophobicContact CB-CG 4.13Å |
| 68 | M | 88.1 | Confident | 87.9 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141.5 | 175.6 | -50 | -65.6 | -58.5 | 0 | 0 | 108.7 | D18 R20 I34 D74 | D18-M68 HydrophobicContact CB-CB 3.78Å; D18-M68 HydrophobicContact CB-CG 3.97Å; D18-M68 PolarHBondContact O-N 2.88Å; R20-M68 HydrophobicContact CB-CG 4.32Å; R20-M68 HydrophobicContact CB-SD 3.62Å; R20-M68 WeakPolarHBondContact CD-SD 3.41Å; R20-M68 HydrophobicContact CG-SD 4.22Å; I34-M68 HydrophobicContact CD1-CE 3.99Å; I34-M68 HydrophobicContact CD1-CG 4.26Å; I34-M68 HydrophobicContact CD1-SD 4.34Å; I34-M68 HydrophobicContact CG1-CG 4.33Å; I34-M68 HydrophobicContact CG1-SD 4.42Å; I34-M68 HydrophobicContact CG2-CG 4.18Å; M68-D74 WeakPolarHBondContact CE-OD1 3.4Å; M68-D74 VanDerWaalsContact SD-OD1 3.35Å |
| 69 | R | 81.6 | Confident | 88.3 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.6 | 175.2 | -63.2 | -178.8 | 178.8 | 176.1 | 3.4 | 108.8 | G71 L72 S75 | R69-G71 PolarHBondContact O-N 3.35Å; R69-L72 HydrophobicContact CB-CB 3.85Å; R69-S75 PolarHBondContact NH2-OG 3.33Å |
| 70 | K | 73.9 | Confident | 88.4 | Confident | 209 Ų | 209 | 54.8 Ų | 54.8 | 91% | 0.909 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 121.9 | 175.7 | -70.6 | -174 | 177.2 | -178.4 | 0 | 109 | L72 | K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 2.81Å |
| 71 | G | 74.2 | Confident | 88.4 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 88% | 0.876 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R69 | R69-G71 PolarHBondContact O-N 3.35Š|
| 72 | L | 71.7 | Confident | 88.3 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.4 | 175.6 | -71.2 | 173.3 | 0 | 0 | 0 | 109.5 | R69 K70 | R69-L72 HydrophobicContact CB-CB 3.85Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 2.81Å |
| 73 | P | 75.9 | Confident | 88.2 | Confident | 111 Ų | 111 | 58.6 Ų | 58.6 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 146.1 | 176 | 24.1 | -33.7 | 0 | 0 | 0 | 112.3 | S75 | P73-S75 PolarHBondContact O-N 3.49Å |
| 74 | D | 86 | Confident | 88 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 119.6 | 176.6 | -70 | -17.5 | 0 | 0 | 0 | 110.6 | R20 K22 Y66 M68 L76 | R20-D74 IonicContact NH1-OD2 3.74Å; R20-D74 PolarHBondContact NH1-OD2 2.84Å; R20-D74 VanDerWaalsContact NH1-OD2 3.17Å; K22-D74 IonicContact NZ-OD2 2.9Å; K22-D74 PolarHBondContact NZ-OD2 3.44Å; Y66-D74 HydrophobicContact CD1-CB 3.64Å; Y66-D74 HydrophobicContact CE1-CB 4.42Å; Y66-D74 HydrophobicContact CG-CB 4.22Å; M68-D74 WeakPolarHBondContact CE-OD1 3.4Å; M68-D74 VanDerWaalsContact SD-OD1 3.35Å; D74-L76 PolarHBondContact O-N 3.37Å |
| 75 | S | 86.8 | Confident | 87.7 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 120.3 | 178.2 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | Y66 Q67 R69 P73 L77 | Y66-S75 CarbonylContact C-O 3.46Å; Y66-S75 WeakPolarHBondContact CA-O 3.38Å; Q67-S75 PolarHBondContact N-O 2.82Å; Q67-S75 PolarHBondContact O-N 3.39Å; R69-S75 PolarHBondContact NH2-OG 3.33Å; P73-S75 PolarHBondContact O-N 3.49Å; S75-L77 PolarHBondContact O-N 2.82Å |
| 76 | L | 91.7 | Very high | 87.4 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 132.3 | 168 | -173.1 | 71.8 | 0 | 0 | 0 | 108.9 | K64 Y66 D74 | K64-L76 HydrophobicContact CB-CD1 3.96Å; K64-L76 HydrophobicContact CD-CD1 4.45Å; Y66-L76 HydrophobicContact CD1-CB 4.28Å; Y66-L76 HydrophobicContact CD1-CD1 4.35Å; Y66-L76 HydrophobicContact CD2-CD1 4.33Å; Y66-L76 HydrophobicContact CE1-CB 4.05Å; Y66-L76 HydrophobicContact CE1-CD1 3.9Å; Y66-L76 HydrophobicContact CE2-CD1 3.85Å; D74-L76 PolarHBondContact O-N 3.37Å |
| 77 | L | 90.6 | Very high | 87 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -20.5 | 173.8 | -68.7 | 174.3 | 0 | 0 | 0 | 112.3 | L13 A65 Q67 S75 I109 | L13-L77 HydrophobicContact CD2-CD1 3.84Å; A65-L77 HydrophobicContact CB-CB 4.37Å; A65-L77 PolarHBondContact O-N 2.87Å; Q67-L77 HydrophobicContact CB-CD1 4.1Å; Q67-L77 HydrophobicContact CB-CD2 4.11Å; Q67-L77 HydrophobicContact CB-CG 4.13Å; S75-L77 PolarHBondContact O-N 2.82Å; L77-I109 HydrophobicContact CB-CD1 3.93Å; L77-I109 HydrophobicContact CD2-CD1 4.42Å |
| 78 | G | 93 | Very high | 86.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.1 | 173.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A65 V100 | A65-G78 PolarHBondContact N-O 2.91Å; G78-V100 CarbonylContact C-O 3.46Å; G78-V100 WeakPolarHBondContact CA-O 3.36Å |
| 79 | S | 94.8 | Very high | 85.9 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 162.2 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | L63 L99 V100 | L63-S79 CarbonylContact O-C 3.54Å; L63-S79 WeakPolarHBondContact O-CA 3.14Å; S79-L99 WeakPolarHBondContact O-CA 3.24Å; S79-V100 PolarHBondContact N-O 2.68Å; S79-V100 VanDerWaalsContact O-CG2 3.26Å; S79-V100 WeakPolarHBondContact O-CG2 3.47Å; S79-V100 PolarHBondContact O-N 2.93Å |
| 80 | L | 94.8 | Very high | 85.7 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142 | 177.6 | 172.9 | 65.3 | 0 | 0 | 0 | 107.7 | I62 L63 I82 E97 L99 F113 | I62-L80 CarbonylContact C-O 3.05Å; I62-L80 WeakPolarHBondContact CA-O 3.32Å; I62-L80 WeakPolarHBondContact CG2-O 3.32Å; L63-L80 HydrophobicContact CB-CB 4.4Å; L63-L80 HydrophobicContact CD1-CD2 4.29Å; L63-L80 PolarHBondContact N-O 3.48Å; L63-L80 PolarHBondContact O-N 3.32Å; L80-I82 HydrophobicContact CD1-CG1 4.44Å; L80-I82 HydrophobicContact CD2-CD1 3.95Å; L80-I82 HydrophobicContact CD2-CG1 4.3Å; L80-I82 HydrophobicContact CG-CD1 4.03Å; L80-I82 HydrophobicContact CG-CG1 4.01Å; L80-E97 HydrophobicContact CD1-CB 3.8Å; L80-E97 HydrophobicContact CD1-CG 4.15Å; L80-E97 HydrophobicContact CD2-CB 3.48Å; L80-E97 VanDerWaalsContact CD2-CB 3.48Å; L80-E97 HydrophobicContact CD2-CG 3.97Å; L80-E97 HydrophobicContact CG-CB 4.3Å; L80-L99 HydrophobicContact CB-CD2 3.83Å; L80-F113 HydrophobicContact CD2-CE1 3.76Å; L80-F113 HydrophobicContact CD2-CZ 3.98Å |
| 81 | S | 93.6 | Very high | 86 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 56% | 0.559 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 122.2 | -176.3 | -164.9 | 0 | 0 | 0 | 0 | 108.8 | V60 L61 | V60-S81 WeakPolarHBondContact CG1-OG 3.32Å; L61-S81 WeakPolarHBondContact O-CA 3.47Å |
| 82 | I | 92.3 | Very high | 86.6 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.1 | -169.1 | -56.9 | 140.2 | 0 | 0 | 0 | 108.5 | V60 L61 L63 L80 F95 F113 | V60-I82 CarbonylContact C-O 3.54Å; V60-I82 WeakPolarHBondContact CA-O 3.32Å; L61-I82 HydrophobicContact CB-CB 4.46Å; L61-I82 HydrophobicContact CD2-CD1 4.12Å; L61-I82 PolarHBondContact N-O 3.3Å; L61-I82 PolarHBondContact O-N 2.72Å; L63-I82 HydrophobicContact CD1-CD1 3.82Å; L63-I82 HydrophobicContact CG-CD1 4.45Å; L80-I82 HydrophobicContact CD1-CG1 4.44Å; L80-I82 HydrophobicContact CD2-CD1 3.95Å; L80-I82 HydrophobicContact CD2-CG1 4.3Å; L80-I82 HydrophobicContact CG-CD1 4.03Å; L80-I82 HydrophobicContact CG-CG1 4.01Å; I82-F95 HydrophobicContact CG2-CE1 4.32Å; I82-F95 HydrophobicContact CG2-CZ 4.35Å; I82-F113 HydrophobicContact CD1-CE1 4.45Å; I82-F113 HydrophobicContact CD1-CE2 3.76Å; I82-F113 HydrophobicContact CD1-CZ 3.41Å; I82-F113 VanDerWaalsContact CD1-CZ 3.41Å; I82-F113 HydrophobicContact CG1-CZ 4.4Å |
| 83 | N | 93.2 | Very high | 87.3 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.8 | 168.5 | -168.1 | -53.3 | 0 | 0 | 0 | 109 | D57 Y85 P86 | D57-N83 PolarHBondContact O-ND2 3.42Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.41Å; N83-Y85 PolarHBondContact OD1-N 3.24Å; N83-P86 WeakPolarHBondContact O-CD 3.41Å |
| 84 | L | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -91.1 | -12.1 | -174.5 | -65.1 | 167.1 | 0 | 0 | 0 | 113.5 | L3 F25 L55 D59 L61 P86 L87 L115 | L3-L84 HydrophobicContact CD1-CD2 4.43Å; L3-L84 HydrophobicContact CD2-CD1 3.69Å; L3-L84 HydrophobicContact CD2-CD2 4.23Å; F25-L84 HydrophobicContact CD2-CD1 3.4Å; F25-L84 HydrophobicContact CE2-CD1 3.33Å; F25-L84 HydrophobicContact CG-CD1 4.48Å; F25-L84 HydrophobicContact CZ-CD1 4.36Å; L55-L84 HydrophobicContact CD1-CB 3.97Å; L55-L84 HydrophobicContact CD2-CB 3.98Å; L55-L84 HydrophobicContact CD2-CD1 4.02Å; L55-L84 HydrophobicContact CG-CB 4.47Å; D59-L84 HydrophobicContact CB-CD1 4.49Å; D59-L84 VanDerWaalsContact O-CB 3.29Å; D59-L84 WeakPolarHBondContact O-CB 3.48Å; D59-L84 PolarHBondContact O-N 2.8Å; L61-L84 HydrophobicContact CB-CD1 4.02Å; L61-L84 HydrophobicContact CB-CD2 3.86Å; L61-L84 HydrophobicContact CB-CG 4.04Å; L61-L84 HydrophobicContact CD2-CD2 4.46Å; L84-P86 VanDerWaalsContact C-N 3.32Å; L84-L87 HydrophobicContact CB-CD1 4.4Å; L84-L87 HydrophobicContact CD2-CD1 3.65Å; L84-L87 VanDerWaalsContact O-CB 3.28Å; L84-L87 WeakPolarHBondContact O-CB 3.45Å; L84-L87 PolarHBondContact O-N 3.1Å; L84-L115 HydrophobicContact CD2-CD1 3.88Å | ||
| 85 | Y | 88.8 | Confident | 88.4 | Confident | 125 Ų | 125 | 60.2 Ų | 60.2 | 49% | 0.49 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -50.8 | -39.7 | -179.6 | -173.3 | -118.3 | 0 | 0 | 0 | 114.5 | N83 L87 T88 | N83-Y85 WeakPolarHBondContact OD1-CB 3.41Å; N83-Y85 PolarHBondContact OD1-N 3.24Å; Y85-L87 PolarHBondContact O-N 2.65Å; Y85-T88 HydrophobicContact CD2-CG2 4.3Å; Y85-T88 PolarHBondContact O-N 3.14Å; Y85-T88 PolarHBondContact O-OG1 3.08Å |
| 86 | P | 87.2 | Confident | 88.7 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -56.2 | -26.5 | 176.2 | -26.7 | 36.7 | 0 | 0 | 0 | 114.5 | N83 L84 T88 R89 D90 | N83-P86 WeakPolarHBondContact O-CD 3.41Å; L84-P86 VanDerWaalsContact C-N 3.32Å; P86-T88 PolarHBondContact O-N 2.92Å; P86-R89 PolarHBondContact O-N 3.43Å; P86-R89 VanDerWaalsContact O-N 3.09Å; P86-D90 PolarHBondContact O-N 3.48Å |
| 87 | L | 84.7 | Confident | 88.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -68.5 | -17 | 178 | -58.9 | 174.4 | 0 | 0 | 0 | 113.5 | L3 L55 L84 Y85 R89 D90 V91 L115 Y117 | L3-L87 HydrophobicContact CD1-CD1 3.78Å; L55-L87 HydrophobicContact CD1-CB 4.15Å; L55-L87 HydrophobicContact CD1-CD1 4.47Å; L84-L87 HydrophobicContact CB-CD1 4.4Å; L84-L87 HydrophobicContact CD2-CD1 3.65Å; L84-L87 VanDerWaalsContact O-CB 3.28Å; L84-L87 WeakPolarHBondContact O-CB 3.45Å; L84-L87 PolarHBondContact O-N 3.1Å; Y85-L87 PolarHBondContact O-N 2.65Å; L87-R89 PolarHBondContact O-N 3.19Å; L87-D90 WeakPolarHBondContact CD2-O 3.3Å; L87-D90 CarbonylContact O-C 3.52Å; L87-V91 PolarHBondContact O-N 3.45Å; L87-L115 HydrophobicContact CD1-CB 3.92Å; L87-L115 HydrophobicContact CD1-CD1 4.2Å; L87-L115 HydrophobicContact CD2-CB 4.18Å; L87-Y117 HydrophobicContact CB-CD1 4.39Å; L87-Y117 HydrophobicContact CB-CG 4.31Å; L87-Y117 WeakPolarHBondContact O-CD1 3.24Å |
| 88 | T | 78.6 | Confident | 88.9 | Confident | 56 Ų | 56 | 69 Ų | 69 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -67.7 | -19.7 | 172.1 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | L55 Y85 P86 Y117 | L55-T88 HydrophobicContact CB-CG2 3.79Å; Y85-T88 HydrophobicContact CD2-CG2 4.3Å; Y85-T88 PolarHBondContact O-N 3.14Å; Y85-T88 PolarHBondContact O-OG1 3.08Å; P86-T88 PolarHBondContact O-N 2.92Å; T88-Y117 HydrophobicContact CG2-CE1 3.99Å |
| 89 | R | 76.6 | Confident | 89 | Confident | 208 Ų | 208 | 69 Ų | 69 | 79% | 0.785 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -55.5 | 172.2 | -178.7 | -178.4 | -177 | 162.3 | 3.9 | 110.4 | P86 L87 V91 | P86-R89 PolarHBondContact O-N 3.43Å; P86-R89 VanDerWaalsContact O-N 3.09Å; L87-R89 PolarHBondContact O-N 3.19Å; R89-V91 PolarHBondContact O-N 3.05Å |
| 90 | D | 77.6 | Confident | 88.9 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -97.9 | 76.7 | -176.5 | -63.6 | -46.4 | 0 | 0 | 0 | 110.5 | P86 L87 H92 | P86-D90 PolarHBondContact O-N 3.48Å; L87-D90 WeakPolarHBondContact CD2-O 3.3Å; L87-D90 CarbonylContact O-C 3.52Å; D90-H92 CarbonylContact O-C 3.51Å; D90-H92 PolarHBondContact O-N 3.26Å |
| 91 | V | 79.3 | Confident | 88.5 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -42.8 | -27.1 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 114.6 | L87 R89 R116 Y117 | L87-V91 PolarHBondContact O-N 3.45Å; R89-V91 PolarHBondContact O-N 3.05Å; V91-R116 CarbonylContact O-C 3.53Å; V91-R116 VanDerWaalsContact O-CA 3.31Å; V91-R116 WeakPolarHBondContact O-CA 3.36Å; V91-Y117 PolarHBondContact O-N 3.19Å |
| 92 | H | 87.6 | Confident | 88 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.8 | 172.6 | 174.8 | -141 | 0 | 0 | 0 | 110.6 | D90 E114 L115 R116 | D90-H92 CarbonylContact O-C 3.51Å; D90-H92 PolarHBondContact O-N 3.26Å; H92-E114 IonicContact NE2-OE2 2.75Å; H92-L115 WeakPolarHBondContact CA-O 3.39Å; H92-L115 PolarHBondContact CD2-O 3.19Å; H92-R116 HydrophobicContact CB-CG 4.16Å; H92-R116 WeakPolarHBondContact CD2-CG 3.34Å; H92-R116 PolarHBondContact CD2-NE 2.82Å; H92-R116 PolarHBondContact NE2-NE 3.24Å |
| 93 | S | 86.9 | Confident | 87.5 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.3 | 176.5 | -74.3 | 0 | 0 | 0 | 0 | 112 | F95 E114 L115 | S93-F95 VanDerWaalsContact CB-CE2 3.48Å; S93-E114 WeakPolarHBondContact O-CA 3.44Å; S93-L115 PolarHBondContact N-O 3.29Å; S93-L115 PolarHBondContact O-N 2.88Å |
| 94 | I | 90.9 | Very high | 87 | Confident | 117 Ų | 117 | 77.6 Ų | 77.6 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.6 | -178.4 | -55.3 | -178.8 | 0 | 0 | 0 | 108.7 | E114 | I94-E114 HydrophobicContact CB-CG 4.48Å; I94-E114 HydrophobicContact CG1-CG 3.99Å; I94-E114 HydrophobicContact CG2-CG 4.24Å |
| 95 | F | 94 | Very high | 86.5 | Confident | 45 Ų | 45 | 83.6 Ų | 83.6 | 20% | 0.197 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147 | -171.7 | -68.4 | -90.3 | 0 | 0 | 0 | 112.4 | I82 S93 E97 L112 F113 L115 | I82-F95 HydrophobicContact CG2-CE1 4.32Å; I82-F95 HydrophobicContact CG2-CZ 4.35Å; S93-F95 VanDerWaalsContact CB-CE2 3.48Å; F95-E97 HydrophobicContact CB-CG 4.46Å; F95-E97 HydrophobicContact CD1-CG 4.41Å; F95-L112 WeakPolarHBondContact O-CA 3.25Å; F95-F113 HydrophobicContact CB-CD1 4Å; F95-F113 HydrophobicContact CB-CD2 4.02Å; F95-F113 HydrophobicContact CB-CE1 3.5Å; F95-F113 HydrophobicContact CB-CE2 3.52Å; F95-F113 HydrophobicContact CB-CG 4.25Å; F95-F113 HydrophobicContact CB-CZ 3.23Å; F95-F113 HydrophobicContact CD1-CE2 4.47Å; F95-F113 HydrophobicContact CD1-CZ 4.21Å; F95-F113 HydrophobicContact CD2-CD2 4.09Å; F95-F113 AromaticContact CD2-CE2 3.51Å; F95-F113 HydrophobicContact CD2-CE2 3.51Å; F95-F113 HydrophobicContact CD2-CZ 4.02Å; F95-F113 HydrophobicContact CE2-CE2 4.35Å; F95-F113 HydrophobicContact CG-CD2 4.36Å; F95-F113 HydrophobicContact CG-CE1 4.34Å; F95-F113 AromaticContact CG-CE2 3.59Å; F95-F113 HydrophobicContact CG-CE2 3.59Å; F95-F113 AromaticContact CG-CZ 3.57Å; F95-F113 HydrophobicContact CG-CZ 3.57Å; F95-F113 PolarHBondContact N-O 3.07Å; F95-F113 PolarHBondContact O-N 3.4Å; F95-L115 HydrophobicContact CD2-CD1 4.23Å; F95-L115 HydrophobicContact CE2-CB 4.16Å; F95-L115 HydrophobicContact CE2-CD1 3.8Å; F95-L115 HydrophobicContact CE2-CG 4.34Å; F95-L115 HydrophobicContact CZ-CD1 4.48Å |
| 96 | R | 93.5 | Very high | 86.4 | Confident | 172 Ų | 172 | 82 Ų | 82 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 78.9 | 175 | 179.6 | 178.6 | 176.6 | -151.2 | -4.1 | 108.8 | L112 | R96-L112 HydrophobicContact CB-CG 4.12Å; R96-L112 HydrophobicContact CG-CD1 3.93Å; R96-L112 HydrophobicContact CG-CD2 4.35Å; R96-L112 HydrophobicContact CG-CG 3.84Å |
| 97 | E | 92.1 | Very high | 86.4 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 150.2 | -169.2 | -65.4 | -52.3 | 141.8 | 0 | 0 | 112.5 | L80 F95 L110 L111 | L80-E97 HydrophobicContact CD1-CB 3.8Å; L80-E97 HydrophobicContact CD1-CG 4.15Å; L80-E97 HydrophobicContact CD2-CB 3.48Å; L80-E97 VanDerWaalsContact CD2-CB 3.48Å; L80-E97 HydrophobicContact CD2-CG 3.97Å; L80-E97 HydrophobicContact CG-CB 4.3Å; F95-E97 HydrophobicContact CB-CG 4.46Å; F95-E97 HydrophobicContact CD1-CG 4.41Å; E97-L110 CarbonylContact O-C 3.2Å; E97-L110 WeakPolarHBondContact O-CA 3.46Å; E97-L111 PolarHBondContact N-O 3.11Å; E97-L111 VanDerWaalsContact N-O 3.07Å; E97-L111 PolarHBondContact O-N 3.35Å |
| 98 | N | 93.9 | Very high | 86.5 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 35% | 0.353 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 138.6 | 166.4 | -82.9 | -61.5 | 0 | 0 | 0 | 109.8 | P106 L110 | N98-P106 HydrophobicContact CB-CB 4.2Å; N98-L110 HydrophobicContact CB-CD2 4.44Å; N98-L110 WeakPolarHBondContact OD1-CD2 3.22Å |
| 99 | L | 94.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 144.1 | 162.4 | -58.9 | -177.3 | 0 | 0 | 0 | 110 | L10 A65 S79 L80 P106 T107 I109 L111 | L10-L99 HydrophobicContact CD1-CD1 3.88Å; A65-L99 HydrophobicContact CB-CD1 3.46Å; A65-L99 VanDerWaalsContact CB-CD1 3.46Å; S79-L99 WeakPolarHBondContact O-CA 3.24Å; L80-L99 HydrophobicContact CB-CD2 3.83Å; L99-P106 WeakPolarHBondContact O-CA 3.2Å; L99-T107 PolarHBondContact O-N 3.31Å; L99-T107 PolarHBondContact O-OG1 3.46Å; L99-I109 HydrophobicContact CD1-CB 4.32Å; L99-I109 HydrophobicContact CD1-CG2 4.05Å; L99-I109 PolarHBondContact N-O 3.06Å; L99-L111 HydrophobicContact CD2-CB 4.12Å; L99-L111 HydrophobicContact CD2-CD2 4.06Å |
| 100 | V | 92.8 | Very high | 88 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 22% | 0.218 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.2 | 169.4 | -69 | 0 | 0 | 0 | 0 | 111.6 | G78 S79 H105 P106 | G78-V100 CarbonylContact C-O 3.46Å; G78-V100 WeakPolarHBondContact CA-O 3.36Å; S79-V100 PolarHBondContact N-O 2.68Å; S79-V100 VanDerWaalsContact O-CG2 3.26Å; S79-V100 WeakPolarHBondContact O-CG2 3.47Å; S79-V100 PolarHBondContact O-N 2.93Å; V100-H105 CarbonylContact C-O 3.54Å; V100-H105 VanDerWaalsContact CA-O 3.27Å; V100-H105 WeakPolarHBondContact CA-O 3.38Å; V100-P106 HydrophobicContact CG1-CG 4.43Å |
| 101 | D | 87.4 | Confident | 88.8 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | trans | -74.8 | -173 | 174 | 78.5 | -21.1 | 0 | 0 | 0 | 112.4 | S103 N104 H105 T107 | D101-S103 VanDerWaalsContact CG-N 3.31Å; D101-S103 PolarHBondContact O-N 2.93Å; D101-S103 VanDerWaalsContact O-N 3.15Å; D101-S103 VanDerWaalsContact OD1-C 3.3Å; D101-S103 VanDerWaalsContact OD1-CA 3.24Å; D101-S103 WeakPolarHBondContact OD1-CA 3.4Å; D101-S103 WeakPolarHBondContact OD1-CB 3.19Å; D101-S103 PolarHBondContact OD1-N 3.37Å; D101-S103 PolarHBondContact OD1-OG 2.83Å; D101-S103 VanDerWaalsContact OD2-CB 3.31Å; D101-S103 WeakPolarHBondContact OD2-CB 3.16Å; D101-S103 PolarHBondContact OD2-OG 2.81Å; D101-N104 PolarHBondContact O-N 3.45Å; D101-N104 PolarHBondContact OD1-N 2.83Å; D101-N104 VanDerWaalsContact OD1-N 3.11Å; D101-H105 PolarHBondContact N-O 2.88Å; D101-H105 PolarHBondContact OD1-N 3.41Å; D101-T107 HydrophobicContact CB-CG2 3.86Å | ||
| 102 | S | 82 | Confident | 89.6 | Confident | 115 Ų | 115 | 66.9 Ų | 66.9 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.3 | 173.2 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 103 | S | 83.2 | Confident | 90 | Very high | 67 Ų | 67 | 62.8 Ų | 62.8 | 47% | 0.469 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 3.4 | -179.4 | -30.3 | 0 | 0 | 0 | 0 | 112 | D101 H105 | D101-S103 VanDerWaalsContact CG-N 3.31Å; D101-S103 PolarHBondContact O-N 2.93Å; D101-S103 VanDerWaalsContact O-N 3.15Å; D101-S103 VanDerWaalsContact OD1-C 3.3Å; D101-S103 VanDerWaalsContact OD1-CA 3.24Å; D101-S103 WeakPolarHBondContact OD1-CA 3.4Å; D101-S103 WeakPolarHBondContact OD1-CB 3.19Å; D101-S103 PolarHBondContact OD1-N 3.37Å; D101-S103 PolarHBondContact OD1-OG 2.83Å; D101-S103 VanDerWaalsContact OD2-CB 3.31Å; D101-S103 WeakPolarHBondContact OD2-CB 3.16Å; D101-S103 PolarHBondContact OD2-OG 2.81Å; S103-H105 PolarHBondContact O-N 3.43Å |
| 104 | N | 80.9 | Confident | 90.4 | Very high | 128 Ų | 128 | 62.3 Ų | 62.3 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 61.1 | 21.8 | -168.8 | -64.2 | -38.5 | 0 | 0 | 0 | 114.9 | D101 | D101-N104 PolarHBondContact O-N 3.45Å; D101-N104 PolarHBondContact OD1-N 2.83Å; D101-N104 VanDerWaalsContact OD1-N 3.11Å |
| 105 | H | 83.6 | Confident | 90.6 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | trans | -89.9 | 133.2 | 173.6 | -68.6 | -36.8 | 0 | 0 | 0 | 111.6 | V100 D101 S103 T107 | V100-H105 CarbonylContact C-O 3.54Å; V100-H105 VanDerWaalsContact CA-O 3.27Å; V100-H105 WeakPolarHBondContact CA-O 3.38Å; D101-H105 PolarHBondContact N-O 2.88Å; D101-H105 PolarHBondContact OD1-N 3.41Å; S103-H105 PolarHBondContact O-N 3.43Å; H105-T107 PolarHBondContact O-N 2.87Å | ||
| 106 | P | 87.4 | Confident | 90.5 | Very high | 91 Ų | 91 | 59 Ų | 59 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 126.1 | 178.1 | -23.7 | 34.1 | 0 | 0 | 0 | 112.2 | N98 L99 V100 G108 | N98-P106 HydrophobicContact CB-CB 4.2Å; L99-P106 WeakPolarHBondContact O-CA 3.2Å; V100-P106 HydrophobicContact CG1-CG 4.43Å; P106-G108 VanDerWaalsContact C-N 3.28Å; P106-G108 PolarHBondContact O-N 2.76Å |
| 107 | T | 87 | Confident | 90.4 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -2.1 | -175.6 | 66 | 0 | 0 | 0 | 0 | 113.9 | L99 D101 H105 I109 | L99-T107 PolarHBondContact O-N 3.31Å; L99-T107 PolarHBondContact O-OG1 3.46Å; D101-T107 HydrophobicContact CB-CG2 3.86Å; H105-T107 PolarHBondContact O-N 2.87Å; T107-I109 PolarHBondContact O-N 2.7Å; T107-I109 WeakPolarHBondContact OG1-CB 3.33Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.28Å; T107-I109 PolarHBondContact OG1-N 2.8Å |
| 108 | G | 86.7 | Confident | 89.7 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.8 | -1.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P106 | P106-G108 VanDerWaalsContact C-N 3.28Å; P106-G108 PolarHBondContact O-N 2.76Å |
| 109 | I | 93.4 | Very high | 88.6 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112.2 | 176.7 | -53.1 | 173.5 | 0 | 0 | 0 | 108.6 | L10 V11 L13 L77 L99 T107 | L10-I109 HydrophobicContact CD1-CG2 3.54Å; L10-I109 HydrophobicContact CG-CG2 3.89Å; V11-I109 CarbonylContact O-C 3.5Å; V11-I109 VanDerWaalsContact O-CA 3.32Å; V11-I109 WeakPolarHBondContact O-CA 3.1Å; V11-I109 WeakPolarHBondContact O-CG2 3.47Å; L13-I109 HydrophobicContact CD2-CD1 4.26Å; L13-I109 HydrophobicContact CD2-CG2 3.83Å; L77-I109 HydrophobicContact CB-CD1 3.93Å; L77-I109 HydrophobicContact CD2-CD1 4.42Å; L99-I109 HydrophobicContact CD1-CB 4.32Å; L99-I109 HydrophobicContact CD1-CG2 4.05Å; L99-I109 PolarHBondContact N-O 3.06Å; T107-I109 PolarHBondContact O-N 2.7Å; T107-I109 WeakPolarHBondContact OG1-CB 3.33Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.28Å; T107-I109 PolarHBondContact OG1-N 2.8Å |
| 110 | L | 93 | Very high | 87.1 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.1 | 179 | -73.3 | 168.6 | 0 | 0 | 0 | 111.6 | L10 V11 E97 N98 L112 | L10-L110 CarbonylContact C-O 2.84Å; L10-L110 WeakPolarHBondContact CA-O 3.17Å; V11-L110 HydrophobicContact CB-CB 4.44Å; V11-L110 PolarHBondContact N-O 2.89Å; V11-L110 PolarHBondContact O-N 2.75Å; E97-L110 CarbonylContact O-C 3.2Å; E97-L110 WeakPolarHBondContact O-CA 3.46Å; N98-L110 HydrophobicContact CB-CD2 4.44Å; N98-L110 WeakPolarHBondContact OD1-CD2 3.22Å; L110-L112 HydrophobicContact CB-CD1 4.29Å |
| 111 | L | 95.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.7 | 172.7 | 179.8 | 53.7 | 0 | 0 | 0 | 110.2 | L7 L10 I21 L63 E97 L99 F113 | L7-L111 HydrophobicContact CD2-CD1 4.41Å; L10-L111 HydrophobicContact CB-CD1 4.47Å; L10-L111 HydrophobicContact CD1-CB 4.04Å; L10-L111 HydrophobicContact CD1-CD1 4.12Å; I21-L111 HydrophobicContact CD1-CD1 3.55Å; I21-L111 HydrophobicContact CD1-CD2 4.14Å; L63-L111 HydrophobicContact CB-CD2 4.01Å; L63-L111 HydrophobicContact CD1-CD2 3.9Å; E97-L111 PolarHBondContact N-O 3.11Å; E97-L111 VanDerWaalsContact N-O 3.07Å; E97-L111 PolarHBondContact O-N 3.35Å; L99-L111 HydrophobicContact CD2-CB 4.12Å; L99-L111 HydrophobicContact CD2-CD2 4.06Å; L111-F113 HydrophobicContact CD2-CD1 4.49Å; L111-F113 HydrophobicContact CG-CD1 3.89Å; L111-F113 HydrophobicContact CG-CE1 4.3Å |
| 112 | L | 95 | Very high | 83.6 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.7 | 177.7 | -72.4 | 76.5 | 0 | 0 | 0 | 110.6 | K8 Y9 V11 F95 R96 L110 | K8-L112 WeakPolarHBondContact CA-O 3.48Å; K8-L112 WeakPolarHBondContact CB-O 3.41Å; K8-L112 PolarHBondContact N-O 3.33Å; Y9-L112 PolarHBondContact N-O 3.45Å; Y9-L112 VanDerWaalsContact N-O 3.12Å; Y9-L112 PolarHBondContact O-N 3.21Å; V11-L112 HydrophobicContact CG2-CD1 4.28Å; F95-L112 WeakPolarHBondContact O-CA 3.25Å; R96-L112 HydrophobicContact CB-CG 4.12Å; R96-L112 HydrophobicContact CG-CD1 3.93Å; R96-L112 HydrophobicContact CG-CD2 4.35Å; R96-L112 HydrophobicContact CG-CG 3.84Å; L110-L112 HydrophobicContact CB-CD1 4.29Å |
| 113 | F | 96.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 163.6 | -177.1 | 59 | -79.3 | 0 | 0 | 0 | 111.3 | L5 D6 L7 L63 L80 I82 F95 L111 L115 | L5-F113 HydrophobicContact CD1-CB 3.82Å; L5-F113 HydrophobicContact CD1-CD2 3.41Å; L5-F113 VanDerWaalsContact CD1-CD2 3.41Å; L5-F113 HydrophobicContact CD1-CE2 4.3Å; L5-F113 HydrophobicContact CD1-CG 3.9Å; D6-F113 CarbonylContact O-C 3.52Å; D6-F113 VanDerWaalsContact O-CA 3.24Å; D6-F113 WeakPolarHBondContact O-CA 3.32Å; D6-F113 WeakPolarHBondContact O-CB 3.35Å; L7-F113 HydrophobicContact CD2-CB 4.22Å; L63-F113 HydrophobicContact CD1-CD1 4.22Å; L63-F113 HydrophobicContact CD1-CD2 4.36Å; L63-F113 HydrophobicContact CD1-CE1 3.95Å; L63-F113 HydrophobicContact CD1-CE2 4.09Å; L63-F113 HydrophobicContact CD1-CG 4.42Å; L63-F113 HydrophobicContact CD1-CZ 3.89Å; L80-F113 HydrophobicContact CD2-CE1 3.76Å; L80-F113 HydrophobicContact CD2-CZ 3.98Å; I82-F113 HydrophobicContact CD1-CE1 4.45Å; I82-F113 HydrophobicContact CD1-CE2 3.76Å; I82-F113 HydrophobicContact CD1-CZ 3.41Å; I82-F113 VanDerWaalsContact CD1-CZ 3.41Å; I82-F113 HydrophobicContact CG1-CZ 4.4Å; F95-F113 HydrophobicContact CB-CD1 4Å; F95-F113 HydrophobicContact CB-CD2 4.02Å; F95-F113 HydrophobicContact CB-CE1 3.5Å; F95-F113 HydrophobicContact CB-CE2 3.52Å; F95-F113 HydrophobicContact CB-CG 4.25Å; F95-F113 HydrophobicContact CB-CZ 3.23Å; F95-F113 HydrophobicContact CD1-CE2 4.47Å; F95-F113 HydrophobicContact CD1-CZ 4.21Å; F95-F113 HydrophobicContact CD2-CD2 4.09Å; F95-F113 AromaticContact CD2-CE2 3.51Å; F95-F113 HydrophobicContact CD2-CE2 3.51Å; F95-F113 HydrophobicContact CD2-CZ 4.02Å; F95-F113 HydrophobicContact CE2-CE2 4.35Å; F95-F113 HydrophobicContact CG-CD2 4.36Å; F95-F113 HydrophobicContact CG-CE1 4.34Å; F95-F113 AromaticContact CG-CE2 3.59Å; F95-F113 HydrophobicContact CG-CE2 3.59Å; F95-F113 AromaticContact CG-CZ 3.57Å; F95-F113 HydrophobicContact CG-CZ 3.57Å; F95-F113 PolarHBondContact N-O 3.07Å; F95-F113 PolarHBondContact O-N 3.4Å; L111-F113 HydrophobicContact CD2-CD1 4.49Å; L111-F113 HydrophobicContact CG-CD1 3.89Å; L111-F113 HydrophobicContact CG-CE1 4.3Å; F113-L115 HydrophobicContact CD2-CD1 4.4Å; F113-L115 HydrophobicContact CD2-CG 4.17Å; F113-L115 HydrophobicContact CE2-CD1 3.89Å; F113-L115 HydrophobicContact CE2-CG 4.16Å |
| 114 | E | 95.8 | Very high | 79.5 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 144.6 | 170.8 | -51.5 | -173.8 | 160.7 | 0 | 0 | 109.7 | L5 D6 K8 H92 S93 I94 R116 | L5-E114 CarbonylContact C-O 3.4Å; L5-E114 WeakPolarHBondContact CA-O 3.32Å; D6-E114 HydrophobicContact CB-CB 4.32Å; D6-E114 PolarHBondContact N-O 3.42Å; D6-E114 PolarHBondContact O-N 3.23Å; K8-E114 HydrophobicContact CD-CG 4.39Å; K8-E114 IonicContact NZ-OE1 2.84Å; K8-E114 PolarHBondContact NZ-OE1 2.84Å; K8-E114 IonicContact NZ-OE2 3.74Å; K8-E114 PolarHBondContact NZ-OE2 2.8Å; H92-E114 IonicContact NE2-OE2 2.75Å; S93-E114 WeakPolarHBondContact O-CA 3.44Å; I94-E114 HydrophobicContact CB-CG 4.48Å; I94-E114 HydrophobicContact CG1-CG 3.99Å; I94-E114 HydrophobicContact CG2-CG 4.24Å; E114-R116 IonicContact OE2-CZ 3.49Å; E114-R116 IonicContact OE2-NE 2.69Å; E114-R116 IonicContact OE2-NH2 3.02Å; E114-R116 PolarHBondContact OE2-NH2 2.87Å |
| 115 | L | 95.6 | Very high | 77.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134 | 169.6 | -76.8 | 167.6 | 0 | 0 | 0 | 109.7 | L3 I4 L5 L61 L84 L87 H92 S93 F95 F113 | L3-L115 HydrophobicContact CD1-CD2 4.24Å; I4-L115 CarbonylContact O-C 3.55Å; I4-L115 WeakPolarHBondContact O-CA 3.34Å; L5-L115 HydrophobicContact CB-CD2 3.84Å; L5-L115 HydrophobicContact CD1-CD2 3.8Å; L5-L115 HydrophobicContact CD1-CG 4.17Å; L5-L115 HydrophobicContact CG-CD2 4.41Å; L61-L115 HydrophobicContact CD2-CD1 3.83Å; L61-L115 HydrophobicContact CD2-CD2 3.83Å; L61-L115 HydrophobicContact CD2-CG 4.37Å; L84-L115 HydrophobicContact CD2-CD1 3.88Å; L87-L115 HydrophobicContact CD1-CB 3.92Å; L87-L115 HydrophobicContact CD1-CD1 4.2Å; L87-L115 HydrophobicContact CD2-CB 4.18Å; H92-L115 WeakPolarHBondContact CA-O 3.39Å; H92-L115 PolarHBondContact CD2-O 3.19Å; S93-L115 PolarHBondContact N-O 3.29Å; S93-L115 PolarHBondContact O-N 2.88Å; F95-L115 HydrophobicContact CD2-CD1 4.23Å; F95-L115 HydrophobicContact CE2-CB 4.16Å; F95-L115 HydrophobicContact CE2-CD1 3.8Å; F95-L115 HydrophobicContact CE2-CG 4.34Å; F95-L115 HydrophobicContact CZ-CD1 4.48Å; F113-L115 HydrophobicContact CD2-CD1 4.4Å; F113-L115 HydrophobicContact CD2-CG 4.17Å; F113-L115 HydrophobicContact CE2-CD1 3.89Å; F113-L115 HydrophobicContact CE2-CG 4.16Å |
| 116 | R | 91.9 | Very high | 74.8 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.6 | 173.3 | -63.1 | 174.1 | -161.8 | -163.1 | 7 | 108.5 | I4 V91 H92 E114 | I4-R116 HydrophobicContact CB-CB 4.34Å; I4-R116 PolarHBondContact N-O 3.4Å; I4-R116 PolarHBondContact O-N 2.79Å; V91-R116 CarbonylContact O-C 3.53Å; V91-R116 VanDerWaalsContact O-CA 3.31Å; V91-R116 WeakPolarHBondContact O-CA 3.36Å; H92-R116 HydrophobicContact CB-CG 4.16Å; H92-R116 WeakPolarHBondContact CD2-CG 3.34Å; H92-R116 PolarHBondContact CD2-NE 2.82Å; H92-R116 PolarHBondContact NE2-NE 3.24Å; E114-R116 IonicContact OE2-CZ 3.49Å; E114-R116 IonicContact OE2-NE 2.69Å; E114-R116 IonicContact OE2-NH2 3.02Å; E114-R116 PolarHBondContact OE2-NH2 2.87Å |
| 117 | Y | 90.6 | Very high | 72 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.5 | -178.2 | 169.7 | -114.2 | 0 | 0 | 0 | 110.1 | L3 V51 S54 L55 L87 T88 V91 S119 P120 | L3-Y117 HydrophobicContact CD1-CD2 4.43Å; V51-Y117 HydrophobicContact CG2-CD2 4.48Å; V51-Y117 HydrophobicContact CG2-CE2 4.16Å; S54-Y117 WeakPolarHBondContact CA-OH 3.44Å; S54-Y117 WeakPolarHBondContact CB-OH 3.19Å; S54-Y117 PolarHBondContact OG-OH 2.66Å; L55-Y117 HydrophobicContact CB-CE2 4.49Å; L55-Y117 HydrophobicContact CD1-CD1 3.91Å; L55-Y117 HydrophobicContact CD1-CD2 3.37Å; L55-Y117 HydrophobicContact CD1-CE1 4.05Å; L55-Y117 HydrophobicContact CD1-CE2 3.55Å; L55-Y117 HydrophobicContact CD1-CG 3.54Å; L55-Y117 HydrophobicContact CG-CD2 3.89Å; L55-Y117 HydrophobicContact CG-CE1 4.41Å; L55-Y117 HydrophobicContact CG-CE2 3.54Å; L55-Y117 HydrophobicContact CG-CG 4.45Å; L55-Y117 PolarHBondContact N-OH 2.81Å; L55-Y117 VanDerWaalsContact N-OH 3.15Å; L87-Y117 HydrophobicContact CB-CD1 4.39Å; L87-Y117 HydrophobicContact CB-CG 4.31Å; L87-Y117 WeakPolarHBondContact O-CD1 3.24Å; T88-Y117 HydrophobicContact CG2-CE1 3.99Å; V91-Y117 PolarHBondContact O-N 3.19Å; Y117-S119 VanDerWaalsContact CZ-CA 3.47Å; Y117-S119 PolarHBondContact OH-OG 3.13Å; Y117-P120 WeakPolarHBondContact OH-CD 3.22Å |
| 118 | Q | 77.6 | Confident | 69.2 | Low | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 105.4 | 167.6 | -167.9 | 178.3 | 6.3 | 0 | 0 | 108.1 | M1 S2 S122 | M1-Q118 HydrophobicContact CB-CB 4.42Å; M1-Q118 HydrophobicContact CB-CG 4.19Å; M1-Q118 WeakPolarHBondContact CB-O 2.86Å; S2-Q118 PolarHBondContact N-O 2.87Å; S2-Q118 PolarHBondContact O-N 3.12Å; Q118-S122 WeakPolarHBondContact CG-OG 3.27Å |
| 119 | S | 70.1 | Confident | 66.3 | Low | 23 Ų | 23 | 67.7 Ų | 67.7 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | trans | -57.9 | 146.1 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 112 | M1 Y117 D121 S122 | M1-S119 VanDerWaalsContact CB-O 3.24Å; M1-S119 WeakPolarHBondContact CB-O 3.14Å; M1-S119 VanDerWaalsContact CG-O 3.27Å; M1-S119 WeakPolarHBondContact CG-O 3.41Å; Y117-S119 VanDerWaalsContact CZ-CA 3.47Å; Y117-S119 PolarHBondContact OH-OG 3.13Å; S119-D121 PolarHBondContact O-N 2.89Å; S119-D121 VanDerWaalsContact O-N 3.11Å; S119-D121 PolarHBondContact OG-N 3.12Å; S119-S122 PolarHBondContact N-OG 3.35Å; S119-S122 PolarHBondContact O-N 3.15Å; S119-S122 PolarHBondContact O-OG 2.82Å | ||
| 120 | P | 62.7 | Low | 63.2 | Low | 24 Ų | 24 | 74 Ų | 74 | 16% | 0.156 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -35.3 | 167.2 | -29 | 36.7 | 0 | 0 | 0 | 113.2 | M1 S52 Y117 S122 | M1-P120 VanDerWaalsContact CE-O 3.3Å; M1-P120 WeakPolarHBondContact CE-O 3.18Å; S52-P120 WeakPolarHBondContact O-CB 3.47Å; S52-P120 WeakPolarHBondContact O-CG 3.23Å; Y117-P120 WeakPolarHBondContact OH-CD 3.22Å; P120-S122 VanDerWaalsContact C-N 3.25Å; P120-S122 PolarHBondContact O-N 3.27Å |
| 121 | D | 60.1 | Low | 59.9 | Low | 92 Ų | 92 | 78 Ų | 78 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -3.6 | -177.8 | -53.4 | -10.9 | 0 | 0 | 0 | 114.1 | S119 K379 | S119-D121 PolarHBondContact O-N 2.89Å; S119-D121 VanDerWaalsContact O-N 3.11Å; S119-D121 PolarHBondContact OG-N 3.12Å; D121-K379 WeakPolarHBondContact OD2-CD 3.42Å; D121-K379 WeakPolarHBondContact OD2-CE 3.01Å; D121-K379 IonicContact OD2-NZ 3.97Å; D121-K379 PolarHBondContact OD2-NZ 2.97Å |
| 122 | S | 47.8 | Very low | 56.5 | Low | 43 Ų | 43 | 83.2 Ų | 83.2 | 30% | 0.301 | 45% | 0.454 | S | S | . | . | trans | -105 | 116.9 | -171.5 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | Q118 S119 P120 | Q118-S122 WeakPolarHBondContact CG-OG 3.27Å; S119-S122 PolarHBondContact N-OG 3.35Å; S119-S122 PolarHBondContact O-N 3.15Å; S119-S122 PolarHBondContact O-OG 2.82Å; P120-S122 VanDerWaalsContact C-N 3.25Å; P120-S122 PolarHBondContact O-N 3.27Å | ||
| 123 | T | 43.7 | Very low | 53.3 | Low | 121 Ų | 121 | 85.9 Ų | 85.9 | 74% | 0.742 | 47% | 0.468 | S | S | * | . | trans | -68.4 | 165.6 | 174.7 | 43.4 | 0 | 0 | 0 | 0 | 112.9 | G125 | T123-G125 PolarHBondContact O-N 3.07Å; T123-G125 VanDerWaalsContact O-N 3.11Å | ||
| 124 | H | 35.3 | Very low | 50 | Low | 186 Ų | 186 | 94.2 Ų | 94.2 | 86% | 0.861 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -66.9 | 107.4 | -177.5 | -87.8 | -92.8 | 0 | 0 | 0 | 113.6 | ||
| 125 | G | 37 | Very low | 47 | Very low | 51 Ų | 51 | 95.9 Ų | 95.9 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | trans | 99.9 | 107.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | T123 L127 | T123-G125 PolarHBondContact O-N 3.07Å; T123-G125 VanDerWaalsContact O-N 3.11Å; G125-L127 PolarHBondContact O-N 3.4Å | ||
| 126 | D | 29 | Very low | 43.8 | Very low | 175 Ų | 175 | 99.7 Ų | 99.7 | 94% | 0.936 | 53% | 0.534 | S | S | * | . | trans | -70.5 | 69.6 | 151.1 | -53 | -57.2 | 0 | 0 | 0 | 108.7 | ||||
| 127 | L | 27.3 | Very low | 40.9 | Very low | 144 Ų | 144 | 97.7 Ų | 97.7 | 75% | 0.754 | 54% | 0.536 | S | S | * | . | trans | -124 | 101.6 | 179.3 | -104.4 | 167 | 0 | 0 | 0 | 109.2 | G125 | G125-L127 PolarHBondContact O-N 3.4Š| ||
| 128 | D | 27.8 | Very low | 38.2 | Very low | 116 Ų | 116 | 101.8 Ų | 101.8 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | trans | 60.6 | 85.1 | 173.8 | -54.6 | -27.5 | 0 | 0 | 0 | 115.8 | D130 L131 | D128-D130 PolarHBondContact O-N 3Å; D128-L131 PolarHBondContact O-N 3.03Å | ||
| 129 | D | 27.3 | Very low | 35.9 | Very low | 165 Ų | 165 | 101.5 Ų | 101.5 | 88% | 0.882 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.4 | -23.3 | 174.1 | -87.9 | -53.6 | 0 | 0 | 0 | 115.4 | ||
| 130 | D | 28.3 | Very low | 34.1 | Very low | 150 Ų | 150 | 107 Ų | 107 | 80% | 0.802 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -12.4 | -168.1 | -81.8 | -47 | 0 | 0 | 0 | 115.7 | D128 | D128-D130 PolarHBondContact O-N 3Š|
| 131 | L | 24.2 | Very low | 32.6 | Very low | 119 Ų | 119 | 115 Ų | 115 | 62% | 0.623 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -110.2 | -9.5 | -163.3 | -83.8 | 168.3 | 0 | 0 | 0 | 118.3 | D128 F158 | D128-L131 PolarHBondContact O-N 3.03Å; L131-F158 HydrophobicContact CD1-CZ 4.36Å |
| 132 | V | 23.9 | Very low | 31.2 | Very low | 110 Ų | 110 | 121 Ų | 121 | 67% | 0.667 | 63% | 0.633 | S | S | * | * | trans | -120.5 | 44.2 | -174.1 | -161.1 | 0 | 0 | 0 | 0 | 113.4 | Y134 | V132-Y134 HydrophobicContact CG1-CD2 4.09Å; V132-Y134 HydrophobicContact CG1-CE2 4.15Å; V132-Y134 PolarHBondContact O-N 3.32Å | ||
| 133 | N | 26.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 56% | 0.556 | 64% | 0.635 | S | S | * | * | trans | -76.9 | 87 | -179 | -107.9 | -69.1 | 0 | 0 | 0 | 113.9 | R757 | N133-R757 PolarHBondContact O-NH2 2.85Š| ||
| 134 | Y | 28.6 | Very low | 29.9 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 69% | 0.69 | 64% | 0.637 | S | S | * | * | trans | -59.8 | -179.8 | 170.2 | -101.8 | -115.7 | 0 | 0 | 0 | 113.5 | V132 R753 | V132-Y134 HydrophobicContact CG1-CD2 4.09Å; V132-Y134 HydrophobicContact CG1-CE2 4.15Å; V132-Y134 PolarHBondContact O-N 3.32Å; Y134-R753 PolarHBondContact O-NH1 2.88Å | ||
| 135 | P | 32.1 | Very low | 29.8 | Very low | 54 Ų | 54 | 121.7 Ų | 121.7 | 35% | 0.351 | 63% | 0.63 | S | S | . | * | cis | -104.9 | 163.7 | -18.2 | 37.5 | -30.9 | 0 | 0 | 0 | 112 | R753 R757 | P135-R753 PolarHBondContact O-NH2 3.48Å; P135-R757 PolarHBondContact O-NH1 2.81Å; P135-R757 VanDerWaalsContact O-NH1 3.12Å | ||
| 136 | L | 29.4 | Very low | 29.6 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 42% | 0.419 | 62% | 0.621 | S | S | . | * | trans | -113.9 | 91.7 | 145.7 | -103.6 | 176.5 | 0 | 0 | 0 | 107.3 | R757 L761 | L136-R757 HydrophobicContact CD1-CG 4.23Å; L136-L761 HydrophobicContact CD1-CD1 3.91Å | ||
| 137 | A | 30.8 | Very low | 29.7 | Very low | 50 Ų | 50 | 119.8 Ų | 119.8 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | trans | -152.7 | 152.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108 | R787 | A137-R787 PolarHBondContact O-NH1 3.37Å; A137-R787 VanDerWaalsContact O-NH1 3.08Å | ||
| 138 | D | 33.2 | Very low | 29.9 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | cis | -89.9 | 132.9 | -4.1 | -50.6 | -43.1 | 0 | 0 | 0 | 111.1 | R483 | D138-R483 IonicContact OD1-NH2 2.76Å; D138-R483 IonicContact OD2-CZ 2.73Å; D138-R483 IonicContact OD2-NH1 3.68Å; D138-R483 PolarHBondContact OD2-NH1 2.88Å; D138-R483 IonicContact OD2-NH2 3.77Å; D138-R483 PolarHBondContact OD2-NH2 2.9Å | ||
| 139 | T | 29.2 | Very low | 30.2 | Very low | 57 Ų | 57 | 119 Ų | 119 | 35% | 0.35 | 61% | 0.609 | S | S | . | * | trans | -142.9 | 89 | 154.3 | 46.6 | 0 | 0 | 0 | 0 | 107.4 | Y141 A783 | T139-Y141 PolarHBondContact O-N 2.91Å; T139-A783 HydrophobicContact CG2-CB 4.38Å | ||
| 140 | D | 31.9 | Very low | 30.4 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | trans | -70.5 | 24.4 | -168.2 | -122.2 | -26 | 0 | 0 | 0 | 115 | ||||
| 141 | Y | 32.3 | Very low | 30.6 | Very low | 193 Ų | 193 | 117.6 Ų | 117.6 | 76% | 0.757 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -141 | 88.1 | -168.4 | -60.7 | -68.9 | 0 | 0 | 0 | 113.1 | T139 L143 | T139-Y141 PolarHBondContact O-N 2.91Å; Y141-L143 PolarHBondContact O-N 3.12Å |
| 142 | R | 29.8 | Very low | 30.8 | Very low | 216 Ų | 216 | 120.7 Ų | 120.7 | 82% | 0.815 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 56.1 | 51.9 | 150.4 | -58.7 | -173.2 | 174.5 | -165 | -1.8 | 118.3 | ||
| 143 | L | 32 | Very low | 31.3 | Very low | 66 Ų | 66 | 122.6 Ų | 122.6 | 35% | 0.346 | 61% | 0.613 | S | S | . | * | trans | -111 | -4.2 | 165.8 | -88.6 | 167.6 | 0 | 0 | 0 | 115.2 | Y141 D145 A146 | Y141-L143 PolarHBondContact O-N 3.12Å; L143-D145 VanDerWaalsContact C-N 3.3Å; L143-D145 PolarHBondContact O-N 3.14Å; L143-A146 WeakPolarHBondContact O-CB 3.32Å; L143-A146 PolarHBondContact O-N 2.78Å | ||
| 144 | E | 31.7 | Very low | 31.4 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -62 | -32.4 | 179.1 | -61.6 | -179.1 | 143.8 | 0 | 0 | 113.4 | A146 E147 | E144-A146 PolarHBondContact O-N 3.34Å; E144-E147 PolarHBondContact O-N 2.82Å |
| 145 | D | 33 | Very low | 31.6 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -62.2 | -12.7 | 178.3 | -74.7 | -50 | 0 | 0 | 0 | 113.8 | L143 | L143-D145 VanDerWaalsContact C-N 3.3Å; L143-D145 PolarHBondContact O-N 3.14Å |
| 146 | A | 33 | Very low | 31.5 | Very low | 41 Ų | 41 | 126.7 Ų | 126.7 | 34% | 0.339 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -74.2 | -26.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L143 E144 | L143-A146 WeakPolarHBondContact O-CB 3.32Å; L143-A146 PolarHBondContact O-N 2.78Å; E144-A146 PolarHBondContact O-N 3.34Å |
| 147 | E | 31.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -78.7 | -35.4 | -171.4 | -60 | -159 | 148.1 | 0 | 0 | 113 | E144 V149 I150 | E144-E147 PolarHBondContact O-N 2.82Å; E147-V149 PolarHBondContact O-N 2.85Å; E147-I150 PolarHBondContact O-N 2.94Å |
| 148 | N | 32.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -67.2 | -8.1 | -177.4 | -79.5 | -54.5 | 0 | 0 | 0 | 114.7 | ||
| 149 | V | 33.6 | Very low | 31 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -93 | -16.9 | 178.8 | -175 | 0 | 0 | 0 | 0 | 112.5 | E147 | E147-V149 PolarHBondContact O-N 2.85Š|
| 150 | I | 32.2 | Very low | 30.9 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -18.4 | -176.3 | -61 | 180 | 0 | 0 | 0 | 112.3 | E147 Q152 | E147-I150 PolarHBondContact O-N 2.94Å; I150-Q152 PolarHBondContact O-N 3.47Å |
| 151 | Q | 31.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 26.5 | -174.7 | -59 | -169.5 | 7.4 | 0 | 0 | 116.4 | ||
| 152 | Q | 29.7 | Very low | 30.7 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | -5.6 | 178.8 | -75.2 | -160 | 2.8 | 0 | 0 | 118.1 | I150 | I150-Q152 PolarHBondContact O-N 3.47Š|
| 153 | D | 34 | Very low | 30.9 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -117.1 | 122.8 | 164 | -84.1 | -53.1 | 0 | 0 | 0 | 109.4 | P155 | D153-P155 WeakPolarHBondContact O-CD 3.41Š|
| 154 | Q | 28.5 | Very low | 31.2 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.1 | 175.2 | -66.7 | -172.4 | -73.9 | 0 | 0 | 109.3 | ||
| 155 | P | 31.5 | Very low | 32.2 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137.6 | 166.4 | -22.9 | 34.2 | 0 | 0 | 0 | 109.9 | D153 | D153-P155 WeakPolarHBondContact O-CD 3.41Š|
| 156 | P | 31.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 157.9 | 176.8 | 26.5 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 157 | P | 29.3 | Very low | 34.5 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.8 | -166 | -25.7 | 35.2 | 0 | 0 | 0 | 114.8 | S159 | P157-S159 PolarHBondContact O-N 3.44Š|
| 158 | F | 26.4 | Very low | 36.2 | Very low | 198 Ų | 198 | 128.6 Ų | 128.6 | 87% | 0.868 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -52 | 119.3 | 175.2 | -78.3 | -107.2 | 0 | 0 | 0 | 111.8 | L131 | L131-F158 HydrophobicContact CD1-CZ 4.36Š|
| 159 | S | 27.5 | Very low | 37.9 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | trans | -147.4 | 119.9 | 167.7 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | P157 | P157-S159 PolarHBondContact O-N 3.44Š| ||
| 160 | S | 27.1 | Very low | 39.9 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | trans | 58.9 | 145.9 | 169.2 | 45.2 | 0 | 0 | 0 | 0 | 118 | V162 | S160-V162 PolarHBondContact O-N 3.06Š| ||
| 161 | Y | 26.1 | Very low | 41.9 | Very low | 238 Ų | 238 | 122 Ų | 122 | 93% | 0.933 | 64% | 0.636 | S | S | * | * | trans | -61 | 115.3 | 159.4 | -81.8 | -118.4 | 0 | 0 | 0 | 108.1 | ||||
| 162 | V | 32.4 | Very low | 43.8 | Very low | 86 Ų | 86 | 114.6 Ų | 114.6 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | trans | -98 | 124.6 | 167.9 | -178.9 | 0 | 0 | 0 | 0 | 108 | S160 L164 | S160-V162 PolarHBondContact O-N 3.06Å; V162-L164 HydrophobicContact CB-CD2 4.39Å; V162-L164 HydrophobicContact CB-CG 4.13Å; V162-L164 HydrophobicContact CG1-CD2 3.79Å; V162-L164 HydrophobicContact CG1-CG 3.9Å; V162-L164 PolarHBondContact O-N 2.84Å | ||
| 163 | E | 35.4 | Very low | 46 | Very low | 186 Ų | 186 | 109 Ų | 109 | 87% | 0.869 | 58% | 0.578 | S | S | * | * | trans | -75 | 70.8 | 175.5 | -65.3 | -179.2 | 121.5 | 0 | 0 | 109.8 | D165 | E163-D165 PolarHBondContact O-N 3.47Š| ||
| 164 | L | 38.2 | Very low | 48.2 | Very low | 84 Ų | 84 | 110 Ų | 110 | 44% | 0.44 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | 6.9 | -170.7 | -77 | 170.2 | 0 | 0 | 0 | 115.9 | V162 D167 F168 | V162-L164 HydrophobicContact CB-CD2 4.39Å; V162-L164 HydrophobicContact CB-CG 4.13Å; V162-L164 HydrophobicContact CG1-CD2 3.79Å; V162-L164 HydrophobicContact CG1-CG 3.9Å; V162-L164 PolarHBondContact O-N 2.84Å; L164-D167 HydrophobicContact CD2-CB 3.91Å; L164-D167 PolarHBondContact O-N 3.05Å; L164-F168 WeakPolarHBondContact O-CB 3.45Å; L164-F168 PolarHBondContact O-N 3.22Å |
| 165 | D | 52.6 | Low | 50.1 | Low | 75 Ų | 75 | 102.2 Ų | 102.2 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.4 | -31.7 | -175.4 | -71.6 | -11.9 | 0 | 0 | 0 | 112.1 | E163 N169 R756 | E163-D165 PolarHBondContact O-N 3.47Å; D165-N169 PolarHBondContact O-ND2 2.87Å; D165-N169 VanDerWaalsContact O-ND2 3.1Å; D165-R756 IonicContact OD1-CZ 2.66Å; D165-R756 IonicContact OD1-NH1 3.6Å; D165-R756 PolarHBondContact OD1-NH1 3.04Å; D165-R756 IonicContact OD1-NH2 3.23Å; D165-R756 PolarHBondContact OD1-NH2 3.18Å; D165-R756 IonicContact OD2-NH1 2.61Å |
| 166 | D | 52.1 | Low | 51.9 | Low | 133 Ų | 133 | 98.6 Ų | 98.6 | 71% | 0.711 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -74.6 | -38.8 | 170.7 | -79.2 | -22 | 0 | 0 | 0 | 112.7 | Q170 | D166-Q170 WeakPolarHBondContact O-CG 3.31Å; D166-Q170 PolarHBondContact O-NE2 2.95Å |
| 167 | D | 62.7 | Low | 53.8 | Low | 77 Ų | 77 | 96.3 Ų | 96.3 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -36.5 | 178 | -89.2 | -15.5 | 0 | 0 | 0 | 112.2 | L164 N169 Q170 I171 | L164-D167 HydrophobicContact CD2-CB 3.91Å; L164-D167 PolarHBondContact O-N 3.05Å; D167-N169 PolarHBondContact O-N 2.93Å; D167-Q170 PolarHBondContact O-N 2.63Å; D167-I171 VanDerWaalsContact O-CG1 3.3Å; D167-I171 WeakPolarHBondContact O-CG1 3.47Å; D167-I171 PolarHBondContact O-N 3.31Å |
| 168 | F | 65 | Low | 55.6 | Low | 21 Ų | 21 | 96 Ų | 96 | 9% | 0.092 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | -174.3 | -169.9 | -100.6 | 0 | 0 | 0 | 112.4 | L164 I171 I172 S725 A759 L760 I763 | L164-F168 WeakPolarHBondContact O-CB 3.45Å; L164-F168 PolarHBondContact O-N 3.22Å; F168-I171 PolarHBondContact O-N 3.36Å; F168-I172 HydrophobicContact CD1-CD1 3.84Å; F168-I172 HydrophobicContact CE1-CD1 3.57Å; F168-I172 HydrophobicContact CE1-CG1 4.49Å; F168-I172 HydrophobicContact CZ-CD1 4.32Å; F168-I172 WeakPolarHBondContact O-CG1 3.4Å; F168-I172 PolarHBondContact O-N 3.48Å; F168-I172 VanDerWaalsContact O-N 3.15Å; F168-S725 WeakPolarHBondContact CE1-OG 3.47Å; F168-A759 HydrophobicContact CE1-CB 4.34Å; F168-A759 HydrophobicContact CZ-CB 4.09Å; F168-L760 HydrophobicContact CE2-CD2 3.67Å; F168-L760 HydrophobicContact CE2-CG 3.99Å; F168-L760 HydrophobicContact CZ-CD2 4.49Å; F168-L760 HydrophobicContact CZ-CG 4.37Å; F168-I763 HydrophobicContact CD2-CD1 4.42Å; F168-I763 HydrophobicContact CE1-CD1 4.06Å; F168-I763 HydrophobicContact CE2-CD1 3.53Å; F168-I763 HydrophobicContact CZ-CD1 3.32Å |
| 169 | N | 69.8 | Low | 57.1 | Low | 42 Ų | 42 | 87.6 Ų | 87.6 | 23% | 0.225 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 175.6 | -74.1 | -63.2 | 0 | 0 | 0 | 111.5 | D165 D167 I171 I172 D173 | D165-N169 PolarHBondContact O-ND2 2.87Å; D165-N169 VanDerWaalsContact O-ND2 3.1Å; D167-N169 PolarHBondContact O-N 2.93Å; N169-I171 VanDerWaalsContact C-N 3.32Å; N169-I171 PolarHBondContact O-N 2.6Å; N169-I172 PolarHBondContact O-N 3.41Å; N169-D173 PolarHBondContact O-N 2.78Å |
| 170 | Q | 74.9 | Confident | 58.3 | Low | 122 Ų | 122 | 84.7 Ų | 84.7 | 57% | 0.57 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.8 | -37.5 | 174.4 | -70.7 | 175.1 | 79.5 | 0 | 0 | 112.7 | D166 D167 D173 R174 | D166-Q170 WeakPolarHBondContact O-CG 3.31Å; D166-Q170 PolarHBondContact O-NE2 2.95Å; D167-Q170 PolarHBondContact O-N 2.63Å; Q170-D173 PolarHBondContact O-N 2.7Å; Q170-R174 WeakPolarHBondContact O-CB 3.5Å; Q170-R174 PolarHBondContact O-N 3.46Å |
| 171 | I | 74.8 | Confident | 58.9 | Low | 71 Ų | 71 | 82.9 Ų | 82.9 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.1 | -71.1 | 163.6 | 0 | 0 | 0 | 110.7 | D167 F168 N169 E175 | D167-I171 VanDerWaalsContact O-CG1 3.3Å; D167-I171 WeakPolarHBondContact O-CG1 3.47Å; D167-I171 PolarHBondContact O-N 3.31Å; F168-I171 PolarHBondContact O-N 3.36Å; N169-I171 VanDerWaalsContact C-N 3.32Å; N169-I171 PolarHBondContact O-N 2.6Å; I171-E175 WeakPolarHBondContact O-CB 3.13Å; I171-E175 VanDerWaalsContact O-CG 3.23Å; I171-E175 WeakPolarHBondContact O-CG 3.47Å; I171-E175 PolarHBondContact O-N 2.82Å |
| 172 | I | 69.9 | Low | 59.6 | Low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 177.5 | -66.4 | 165.2 | 0 | 0 | 0 | 110.8 | F168 N169 R174 E175 L176 L718 A721 K722 I763 | F168-I172 HydrophobicContact CD1-CD1 3.84Å; F168-I172 HydrophobicContact CE1-CD1 3.57Å; F168-I172 HydrophobicContact CE1-CG1 4.49Å; F168-I172 HydrophobicContact CZ-CD1 4.32Å; F168-I172 WeakPolarHBondContact O-CG1 3.4Å; F168-I172 PolarHBondContact O-N 3.48Å; F168-I172 VanDerWaalsContact O-N 3.15Å; N169-I172 PolarHBondContact O-N 3.41Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.9Å; I172-E175 CarbonylContact O-C 3.38Å; I172-E175 PolarHBondContact O-N 2.87Å; I172-E175 VanDerWaalsContact O-N 3.14Å; I172-L176 HydrophobicContact CG2-CD1 3.85Å; I172-L176 HydrophobicContact CG2-CG 4.24Å; I172-L176 WeakPolarHBondContact O-CB 3.42Å; I172-L176 WeakPolarHBondContact O-CG 3.01Å; I172-L176 PolarHBondContact O-N 3.29Å; I172-L718 HydrophobicContact CG2-CB 4.39Å; I172-A721 HydrophobicContact CD1-CB 4.29Å; I172-K722 HydrophobicContact CD1-CB 4.25Å; I172-K722 HydrophobicContact CG2-CB 4.21Å; I172-K722 HydrophobicContact CG2-CD 4.46Å; I172-I763 HydrophobicContact CD1-CD1 4.06Å; I172-I763 HydrophobicContact CG1-CD1 3.63Å; I172-I763 HydrophobicContact CG1-CG1 4.18Å |
| 173 | D | 77.6 | Confident | 59.8 | Low | 67 Ų | 67 | 82.2 Ų | 82.2 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68 | -33.9 | -175.9 | -69.2 | -23 | 0 | 0 | 0 | 112.2 | N169 Q170 L176 A177 K722 | N169-D173 PolarHBondContact O-N 2.78Å; Q170-D173 PolarHBondContact O-N 2.7Å; D173-L176 PolarHBondContact O-N 3.28Å; D173-A177 PolarHBondContact O-N 3.27Å; D173-K722 IonicContact OD1-NZ 2.83Å; D173-K722 PolarHBondContact OD1-NZ 2.89Å; D173-K722 IonicContact OD2-NZ 3.36Å; D173-K722 PolarHBondContact OD2-NZ 2.84Å |
| 174 | R | 78.3 | Confident | 59.8 | Low | 170 Ų | 170 | 82.2 Ų | 82.2 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.5 | -43.8 | 168.8 | 174.1 | -179.8 | 152 | -169.5 | -7.7 | 112.6 | Q170 I172 L176 A177 L178 | Q170-R174 WeakPolarHBondContact O-CB 3.5Å; Q170-R174 PolarHBondContact O-N 3.46Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.9Å; R174-L176 VanDerWaalsContact C-N 3.32Å; R174-A177 PolarHBondContact O-N 3.16Å; R174-L178 HydrophobicContact CG-CD1 4.05Å; R174-L178 WeakPolarHBondContact O-CB 3.07Å; R174-L178 VanDerWaalsContact O-CG 3.26Å; R174-L178 WeakPolarHBondContact O-CG 3.42Å; R174-L178 PolarHBondContact O-N 2.92Å |
| 175 | E | 69.8 | Low | 59.4 | Low | 25 Ų | 25 | 86.3 Ų | 86.3 | 12% | 0.117 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.5 | -28.7 | 177.9 | -67 | -81.1 | 177.8 | 0 | 0 | 111.9 | I171 I172 A179 L718 K767 | I171-E175 WeakPolarHBondContact O-CB 3.13Å; I171-E175 VanDerWaalsContact O-CG 3.23Å; I171-E175 WeakPolarHBondContact O-CG 3.47Å; I171-E175 PolarHBondContact O-N 2.82Å; I172-E175 CarbonylContact O-C 3.38Å; I172-E175 PolarHBondContact O-N 2.87Å; I172-E175 VanDerWaalsContact O-N 3.14Å; E175-A179 PolarHBondContact O-N 3.15Å; E175-L718 HydrophobicContact CB-CD1 3.87Å; E175-L718 HydrophobicContact CB-CD2 3.78Å; E175-K767 VanDerWaalsContact CD-CE 3.4Å; E175-K767 WeakPolarHBondContact OE1-CE 3.33Å; E175-K767 IonicContact OE1-NZ 3.99Å; E175-K767 PolarHBondContact OE1-NZ 3.11Å |
| 176 | L | 67.9 | Low | 58.6 | Low | 41 Ų | 41 | 88.9 Ų | 88.9 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 170.6 | -77.7 | 170.1 | 0 | 0 | 0 | 111.2 | I172 D173 R174 L178 A179 T715 L718 | I172-L176 HydrophobicContact CG2-CD1 3.85Å; I172-L176 HydrophobicContact CG2-CG 4.24Å; I172-L176 WeakPolarHBondContact O-CB 3.42Å; I172-L176 WeakPolarHBondContact O-CG 3.01Å; I172-L176 PolarHBondContact O-N 3.29Å; D173-L176 PolarHBondContact O-N 3.28Å; R174-L176 VanDerWaalsContact C-N 3.32Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 2.95Å; L176-A179 WeakPolarHBondContact O-CB 3.48Å; L176-A179 PolarHBondContact O-N 2.96Å; L176-T715 HydrophobicContact CD2-CG2 4.27Å; L176-L718 HydrophobicContact CD2-CB 3.57Å; L176-L718 HydrophobicContact CD2-CD1 4.02Å; L176-L718 HydrophobicContact CD2-CG 4.46Å; L176-L718 HydrophobicContact CG-CB 3.91Å; L176-L718 HydrophobicContact CG-CD1 4.2Å |
| 177 | A | 72.4 | Confident | 57.4 | Low | 67 Ų | 67 | 87.6 Ų | 87.6 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D173 R174 A179 G180 G181 | D173-A177 PolarHBondContact O-N 3.27Å; R174-A177 PolarHBondContact O-N 3.16Å; A177-A179 PolarHBondContact O-N 3.35Å; A177-G180 PolarHBondContact O-N 3.05Å; A177-G180 VanDerWaalsContact O-N 3.13Å; A177-G181 PolarHBondContact O-N 2.98Å |
| 178 | L | 65.9 | Low | 56 | Low | 116 Ų | 116 | 87.9 Ų | 87.9 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.4 | -15.1 | 175.5 | -70.9 | 169.7 | 0 | 0 | 0 | 114.4 | R174 L176 G180 | R174-L178 HydrophobicContact CG-CD1 4.05Å; R174-L178 WeakPolarHBondContact O-CB 3.07Å; R174-L178 VanDerWaalsContact O-CG 3.26Å; R174-L178 WeakPolarHBondContact O-CG 3.42Å; R174-L178 PolarHBondContact O-N 2.92Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 2.95Å; L178-G180 PolarHBondContact O-N 2.68Å |
| 179 | A | 58.7 | Low | 54.4 | Low | 22 Ų | 22 | 94.5 Ų | 94.5 | 18% | 0.182 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -11.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | E175 L176 A177 | E175-A179 PolarHBondContact O-N 3.15Å; L176-A179 WeakPolarHBondContact O-CB 3.48Å; L176-A179 PolarHBondContact O-N 2.96Å; A177-A179 PolarHBondContact O-N 3.35Å |
| 180 | G | 52.1 | Low | 52.7 | Low | 36 Ų | 36 | 96 Ų | 96 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | 65.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A177 L178 D182 | A177-G180 PolarHBondContact O-N 3.05Å; A177-G180 VanDerWaalsContact O-N 3.13Å; L178-G180 PolarHBondContact O-N 2.68Å; G180-D182 PolarHBondContact O-N 2.86Å |
| 181 | G | 39.9 | Very low | 50.9 | Low | 61 Ų | 61 | 92 Ų | 92 | 63% | 0.629 | 50% | 0.495 | S | S | * | . | trans | -76.1 | 53 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A177 | A177-G181 PolarHBondContact O-N 2.98Š| ||
| 182 | D | 41.4 | Very low | 48.8 | Very low | 118 Ų | 118 | 91.2 Ų | 91.2 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | trans | -59 | 142 | 151 | -62.2 | -54.3 | 0 | 0 | 0 | 107 | G180 W184 | G180-D182 PolarHBondContact O-N 2.86Å; D182-W184 VanDerWaalsContact C-N 3.28Å; D182-W184 VanDerWaalsContact O-CD1 3.29Å; D182-W184 PolarHBondContact O-N 3.27Å | ||
| 183 | E | 36.5 | Very low | 47.2 | Very low | 193 Ų | 193 | 91.8 Ų | 91.8 | 90% | 0.902 | 50% | 0.503 | S | S | * | . | trans | -72.4 | 87.5 | 176.9 | -69.2 | -176.2 | 142.5 | 0 | 0 | 109.4 | E185 | E183-E185 PolarHBondContact O-N 3.17Š| ||
| 184 | W | 34.6 | Very low | 45.4 | Very low | 185 Ų | 185 | 90.6 Ų | 90.6 | 70% | 0.701 | 50% | 0.495 | S | S | * | . | trans | -67.6 | 79.1 | 159.6 | -62.4 | 74.4 | 0 | 0 | 0 | 107.5 | D182 V186 | D182-W184 VanDerWaalsContact C-N 3.28Å; D182-W184 VanDerWaalsContact O-CD1 3.29Å; D182-W184 PolarHBondContact O-N 3.27Å; W184-V186 PolarHBondContact O-N 3.48Å | ||
| 185 | E | 30.9 | Very low | 43.4 | Very low | 170 Ų | 170 | 88.6 Ų | 88.6 | 79% | 0.794 | 49% | 0.488 | S | S | * | . | trans | -38 | 131.1 | 136.4 | -71 | -163.8 | 127.7 | 0 | 0 | 106.8 | E183 D187 | E183-E185 PolarHBondContact O-N 3.17Å; E185-D187 PolarHBondContact O-N 3.2Å | ||
| 186 | V | 35 | Very low | 42 | Very low | 130 Ų | 130 | 92.8 Ų | 92.8 | 79% | 0.788 | 51% | 0.506 | S | S | * | . | trans | -80.3 | 55.8 | -170.9 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | W184 S188 | W184-V186 PolarHBondContact O-N 3.48Å; V186-S188 PolarHBondContact O-N 3.08Å; V186-S188 VanDerWaalsContact O-N 3.11Å | ||
| 187 | D | 27.1 | Very low | 40.5 | Very low | 106 Ų | 106 | 91.6 Ų | 91.6 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | trans | -66.7 | 111.6 | 179.2 | -167.8 | 29.8 | 0 | 0 | 0 | 108.3 | E185 Q189 | E185-D187 PolarHBondContact O-N 3.2Å; D187-Q189 PolarHBondContact O-N 3.47Å; D187-Q189 WeakPolarHBondContact OD2-CG 3.42Å; D187-Q189 PolarHBondContact OD2-NE2 3.23Å | ||
| 188 | S | 32.7 | Very low | 38.9 | Very low | 83 Ų | 83 | 91.5 Ų | 91.5 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 16.8 | -156.6 | 57.7 | 0 | 0 | 0 | 0 | 115.9 | V186 L190 S191 | V186-S188 PolarHBondContact O-N 3.08Å; V186-S188 VanDerWaalsContact O-N 3.11Å; S188-L190 CarbonylContact O-C 3.29Å; S188-S191 PolarHBondContact O-N 2.86Å |
| 189 | Q | 32.7 | Very low | 37.8 | Very low | 159 Ų | 159 | 90 Ų | 90 | 74% | 0.743 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -35.1 | -170.6 | -54 | -153.6 | 39.9 | 0 | 0 | 113 | D187 S191 | D187-Q189 PolarHBondContact O-N 3.47Å; D187-Q189 WeakPolarHBondContact OD2-CG 3.42Å; D187-Q189 PolarHBondContact OD2-NE2 3.23Å; Q189-S191 VanDerWaalsContact C-N 3.31Å; Q189-S191 PolarHBondContact O-N 3.31Å; Q189-S191 VanDerWaalsContact O-N 3.07Å |
| 190 | L | 33.6 | Very low | 36.9 | Very low | 75 Ų | 75 | 91.5 Ų | 91.5 | 39% | 0.393 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -71.7 | 97.5 | 151.1 | -79 | 176.3 | 0 | 0 | 0 | 107 | S188 A192 | S188-L190 CarbonylContact O-C 3.29Å; L190-A192 PolarHBondContact O-N 2.73Å |
| 191 | S | 36.3 | Very low | 36.5 | Very low | 36 Ų | 36 | 96.5 Ų | 96.5 | 25% | 0.252 | 50% | 0.501 | S | S | . | . | trans | -40.7 | 127.7 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | S188 Q189 | S188-S191 PolarHBondContact O-N 2.86Å; Q189-S191 VanDerWaalsContact C-N 3.31Å; Q189-S191 PolarHBondContact O-N 3.31Å; Q189-S191 VanDerWaalsContact O-N 3.07Å | ||
| 192 | A | 30.9 | Very low | 36.7 | Very low | 55 Ų | 55 | 95.7 Ų | 95.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | trans | -46.8 | 149.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L190 E194 | L190-A192 PolarHBondContact O-N 2.73Å; A192-E194 PolarHBondContact O-N 3.26Å | ||
| 193 | P | 36.5 | Very low | 37 | Very low | 13 Ų | 13 | 93.3 Ų | 93.3 | 8% | 0.084 | 47% | 0.472 | C | S | . | . | trans | -52.7 | 113.9 | 166.7 | 27 | -35 | 0 | 0 | 0 | 106.6 | R195 Y692 R696 | P193-R195 PolarHBondContact O-N 2.9Å; P193-Y692 HydrophobicContact CG-CE2 3.64Å; P193-R696 HydrophobicContact CB-CB 4.44Å; P193-R696 HydrophobicContact CB-CG 4.36Å; P193-R696 HydrophobicContact CG-CB 3.94Å; P193-R696 HydrophobicContact CG-CG 3.82Å | ||
| 194 | E | 41.4 | Very low | 37.9 | Very low | 41 Ų | 41 | 85.6 Ų | 85.6 | 19% | 0.192 | 44% | 0.437 | C | S | . | . | trans | -42.6 | 126.1 | 172.9 | -69.7 | 150.7 | -174.1 | 0 | 0 | 106.2 | A192 K196 Q1017 R1227 | A192-E194 PolarHBondContact O-N 3.26Å; E194-K196 PolarHBondContact O-N 2.78Å; E194-Q1017 HydrophobicContact CB-CG 4.26Å; E194-Q1017 HydrophobicContact CG-CG 4.06Å; E194-R1227 IonicContact OE1-NH1 3.53Å; E194-R1227 IonicContact OE1-NH2 3.12Å; E194-R1227 IonicContact OE2-CZ 2.83Å; E194-R1227 IonicContact OE2-NH1 2.71Å; E194-R1227 PolarHBondContact OE2-NH1 2.85Å; E194-R1227 IonicContact OE2-NH2 2.69Å | ||
| 195 | R | 36.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 78.4 Ų | 78.4 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | trans | -67.3 | 85.4 | -167.9 | -86.3 | 180 | 173 | 174.1 | 0.9 | 109 | P193 D197 E1001 | P193-R195 PolarHBondContact O-N 2.9Å; R195-D197 PolarHBondContact O-N 2.68Å; R195-E1001 VanDerWaalsContact CD-OE1 3.27Å; R195-E1001 WeakPolarHBondContact CD-OE1 3.47Å; R195-E1001 WeakPolarHBondContact CD-OE2 3.36Å; R195-E1001 IonicContact CZ-OE1 3.67Å; R195-E1001 IonicContact NE-OE1 2.73Å; R195-E1001 IonicContact NH1-OE1 3.59Å; R195-E1001 PolarHBondContact NH1-OE1 3.49Å; R195-E1001 IonicContact NH1-OE2 2.73Å | ||
| 196 | K | 39.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 71.7 Ų | 71.7 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | trans | -61.8 | 80.6 | 145.7 | -78.6 | -108.1 | 167.9 | -173.5 | 0 | 104.7 | E194 I200 E1030 | E194-K196 PolarHBondContact O-N 2.78Å; K196-I200 VanDerWaalsContact C-CD1 3.46Å; K196-I200 VanDerWaalsContact CA-CD1 3.46Å; K196-I200 HydrophobicContact CB-CD1 3.68Å; K196-I200 HydrophobicContact CD-CD1 3.74Å; K196-I200 HydrophobicContact CG-CD1 4.16Å; K196-E1030 IonicContact NZ-OE1 2.85Å; K196-E1030 PolarHBondContact NZ-OE1 3.36Å | ||
| 197 | D | 37 | Very low | 41.6 | Very low | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | trans | -52.2 | 143.6 | -160.4 | -163.3 | -41.8 | 0 | 0 | 0 | 111 | R195 R199 I200 | R195-D197 PolarHBondContact O-N 2.68Å; D197-R199 HydrophobicContact CB-CB 4.23Å; D197-R199 VanDerWaalsContact CG-NE 3.34Å; D197-R199 PolarHBondContact O-N 2.62Å; D197-R199 WeakPolarHBondContact OD1-CB 3.42Å; D197-R199 WeakPolarHBondContact OD1-CG 3.17Å; D197-R199 PolarHBondContact OD1-N 3.08Å; D197-R199 IonicContact OD1-NE 2.82Å; D197-R199 PolarHBondContact OD1-NE 2.74Å; D197-R199 IonicContact OD2-CZ 3.09Å; D197-R199 IonicContact OD2-NE 2.8Å; D197-R199 PolarHBondContact OD2-NE 2.81Å; D197-R199 IonicContact OD2-NH2 2.81Å; D197-R199 PolarHBondContact OD2-NH2 3.02Å; D197-I200 HydrophobicContact CB-CG1 4.42Å; D197-I200 VanDerWaalsContact O-CB 3.26Å; D197-I200 WeakPolarHBondContact O-CB 3.47Å; D197-I200 WeakPolarHBondContact O-CG1 3.3Å; D197-I200 PolarHBondContact O-N 2.8Å | ||
| 198 | P | 37.5 | Very low | 43.6 | Very low | 65 Ų | 65 | 60.9 Ų | 60.9 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -49.8 | -26 | 163.5 | 20.2 | -32.6 | 0 | 0 | 0 | 112.6 | I200 | P198-I200 PolarHBondContact O-N 2.64Å; P198-I200 VanDerWaalsContact O-N 3.15Å |
| 199 | R | 42.9 | Very low | 45.5 | Very low | 85 Ų | 85 | 61.5 Ų | 61.5 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -74 | 18.9 | 169.6 | -55.8 | 177.8 | -60.5 | 157 | 12.5 | 115.2 | D197 L201 M203 E978 | D197-R199 HydrophobicContact CB-CB 4.23Å; D197-R199 VanDerWaalsContact CG-NE 3.34Å; D197-R199 PolarHBondContact O-N 2.62Å; D197-R199 WeakPolarHBondContact OD1-CB 3.42Å; D197-R199 WeakPolarHBondContact OD1-CG 3.17Å; D197-R199 PolarHBondContact OD1-N 3.08Å; D197-R199 IonicContact OD1-NE 2.82Å; D197-R199 PolarHBondContact OD1-NE 2.74Å; D197-R199 IonicContact OD2-CZ 3.09Å; D197-R199 IonicContact OD2-NE 2.8Å; D197-R199 PolarHBondContact OD2-NE 2.81Å; D197-R199 IonicContact OD2-NH2 2.81Å; D197-R199 PolarHBondContact OD2-NH2 3.02Å; R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 CarbonylContact C-O 3.56Å; R199-M203 HydrophobicContact CB-CG 4.1Å; R199-M203 HydrophobicContact CB-SD 3.7Å; R199-M203 HydrophobicContact CG-SD 3.84Å; R199-E978 IonicContact CZ-OE1 3.2Å; R199-E978 IonicContact NH1-OE1 3.99Å; R199-E978 PolarHBondContact NH1-OE1 2.61Å; R199-E978 IonicContact NH2-OE1 3.1Å |
| 200 | I | 40.2 | Very low | 47.3 | Very low | 53 Ų | 53 | 60.4 Ų | 60.4 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -79.9 | -11.3 | 165.2 | -75.7 | -177.2 | 0 | 0 | 0 | 112.4 | K196 D197 P198 P1020 | K196-I200 VanDerWaalsContact C-CD1 3.46Å; K196-I200 VanDerWaalsContact CA-CD1 3.46Å; K196-I200 HydrophobicContact CB-CD1 3.68Å; K196-I200 HydrophobicContact CD-CD1 3.74Å; K196-I200 HydrophobicContact CG-CD1 4.16Å; D197-I200 HydrophobicContact CB-CG1 4.42Å; D197-I200 VanDerWaalsContact O-CB 3.26Å; D197-I200 WeakPolarHBondContact O-CB 3.47Å; D197-I200 WeakPolarHBondContact O-CG1 3.3Å; D197-I200 PolarHBondContact O-N 2.8Å; P198-I200 PolarHBondContact O-N 2.64Å; P198-I200 VanDerWaalsContact O-N 3.15Å; I200-P1020 HydrophobicContact CD1-CG 4.14Å; I200-P1020 HydrophobicContact CG1-CG 4.06Å |
| 201 | L | 43.4 | Very low | 49.3 | Very low | 141 Ų | 141 | 59.5 Ų | 59.5 | 74% | 0.738 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -53.8 | 138.7 | 149.4 | -76.5 | 163 | 0 | 0 | 0 | 108.8 | R199 M203 | R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 CarbonylContact C-O 3.56Å; L201-M203 PolarHBondContact O-N 3.21Å |
| 202 | S | 45 | Very low | 51.3 | Low | 44 Ų | 44 | 59.4 Ų | 59.4 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | trans | -57.2 | 107 | 179.3 | 64 | 0 | 0 | 0 | 0 | 109.7 | L204 Q1025 | S202-L204 CarbonylContact O-C 3.57Å; S202-L204 PolarHBondContact O-N 2.85Å; S202-Q1025 PolarHBondContact OG-NE2 3.05Å; S202-Q1025 VanDerWaalsContact OG-NE2 3.12Å | ||
| 203 | M | 47.6 | Very low | 53.7 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -51.4 | -25.1 | -172.6 | -86.8 | -79.9 | -85.5 | 0 | 0 | 113.5 | R199 L201 Y843 F999 | R199-M203 HydrophobicContact CB-CG 4.1Å; R199-M203 HydrophobicContact CB-SD 3.7Å; R199-M203 HydrophobicContact CG-SD 3.84Å; L201-M203 PolarHBondContact O-N 3.21Å; M203-Y843 HydrophobicContact CE-CE2 4.23Å; M203-F999 HydrophobicContact CB-CE2 4.43Å |
| 204 | L | 54.5 | Low | 56.2 | Low | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -115.1 | 111.9 | 168.4 | -56.1 | 176.9 | 0 | 0 | 0 | 109.6 | S202 R845 I859 | S202-L204 CarbonylContact O-C 3.57Å; S202-L204 PolarHBondContact O-N 2.85Å; L204-R845 HydrophobicContact CD1-CG 4.31Å; L204-R845 HydrophobicContact CD2-CG 4.45Å; L204-I859 HydrophobicContact CD1-CD1 4.22Å; L204-I859 HydrophobicContact CD1-CG1 4.12Å |
| 205 | G | 56.8 | Low | 58.5 | Low | 33 Ų | 33 | 64.1 Ų | 64.1 | 34% | 0.34 | 32% | 0.32 | S | S | . | . | trans | -64.9 | 162.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T207 R845 | G205-T207 PolarHBondContact O-N 3Å; G205-R845 PolarHBondContact O-NH1 2.89Å | ||
| 206 | P | 59.1 | Low | 61.2 | Low | 30 Ų | 30 | 58 Ų | 58 | 20% | 0.195 | 30% | 0.297 | C | S | . | . | trans | -77 | 127 | -178.3 | 31.2 | -30.6 | 0 | 0 | 0 | 110.3 | I208 Y209 | P206-I208 VanDerWaalsContact C-N 3.28Å; P206-I208 PolarHBondContact O-N 2.94Å; P206-Y209 HydrophobicContact CG-CD1 3.89Å; P206-Y209 HydrophobicContact CG-CE1 4.36Å | ||
| 207 | T | 62.6 | Low | 63.6 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -65.3 | -32 | 178.2 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | G205 G528 E529 F815 R845 G848 G851 V852 | G205-T207 PolarHBondContact O-N 3Å; T207-G528 CarbonylContact O-C 3.58Å; T207-G528 WeakPolarHBondContact O-CA 3.42Å; T207-E529 PolarHBondContact O-N 2.99Å; T207-F815 HydrophobicContact CG2-CE1 4.11Å; T207-F815 HydrophobicContact CG2-CZ 4.09Å; T207-R845 HydrophobicContact CG2-CB 4.29Å; T207-G848 PolarHBondContact OG1-O 2.91Å; T207-G848 VanDerWaalsContact OG1-O 3.06Å; T207-G851 VanDerWaalsContact OG1-C 3.23Å; T207-G851 WeakPolarHBondContact OG1-CA 3.12Å; T207-G851 PolarHBondContact OG1-O 3.05Å; T207-V852 VanDerWaalsContact OG1-CG2 3.26Å; T207-V852 WeakPolarHBondContact OG1-CG2 3.39Å |
| 208 | I | 68.7 | Low | 66.4 | Low | 9 Ų | 9 | 51.9 Ų | 51.9 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 136.3 | 163.7 | -66.8 | 178.3 | 0 | 0 | 0 | 107.4 | P206 E522 L523 L527 R849 V852 | P206-I208 VanDerWaalsContact C-N 3.28Å; P206-I208 PolarHBondContact O-N 2.94Å; I208-E522 HydrophobicContact CD1-CB 4.15Å; I208-E522 WeakPolarHBondContact CD1-OE2 3.44Å; I208-E522 HydrophobicContact CG2-CB 4.27Å; I208-L523 HydrophobicContact CD1-CD2 4.23Å; I208-L523 HydrophobicContact CD1-CG 4.22Å; I208-L523 HydrophobicContact CG1-CD2 3.71Å; I208-L523 HydrophobicContact CG1-CG 4.24Å; I208-L527 WeakPolarHBondContact CG2-O 3.37Å; I208-R849 HydrophobicContact CD1-CG 3.85Å; I208-V852 HydrophobicContact CB-CG2 3.99Å; I208-V852 WeakPolarHBondContact O-CG1 3.4Å; I208-V852 WeakPolarHBondContact O-CG2 3.19Å |
| 209 | Y | 72.7 | Confident | 69 | Low | 96 Ų | 96 | 49.1 Ų | 49.1 | 38% | 0.376 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 139 | -175.1 | -61.6 | -53.9 | 0 | 0 | 0 | 111.7 | P206 S211 I270 L527 | P206-Y209 HydrophobicContact CG-CD1 3.89Å; P206-Y209 HydrophobicContact CG-CE1 4.36Å; Y209-S211 PolarHBondContact O-N 3.45Å; Y209-I270 HydrophobicContact CD2-CG2 3.76Å; Y209-I270 HydrophobicContact CE2-CG2 4.08Å; Y209-L527 WeakPolarHBondContact CD2-O 3.36Å; Y209-L527 PolarHBondContact N-O 2.83Å |
| 210 | K | 70.6 | Confident | 71.5 | Confident | 135 Ų | 135 | 45.1 Ų | 45.1 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -56.1 | 135.8 | 175.5 | -170.9 | -166.7 | 168.6 | -158.2 | 0 | 109.6 | N212 P268 | K210-N212 WeakPolarHBondContact CD-OD1 3.35Å; K210-P268 WeakPolarHBondContact O-CA 2.79Å |
| 211 | S | 76.3 | Confident | 73.8 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.9 | 165.3 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | Y209 R267 P268 | Y209-S211 PolarHBondContact O-N 3.45Å; S211-R267 WeakPolarHBondContact CA-O 3.44Å; S211-P268 WeakPolarHBondContact OG-CD 3.39Å |
| 212 | N | 77.9 | Confident | 76.2 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 165.9 | 171.6 | -60.8 | -7.4 | 0 | 0 | 0 | 108.2 | K210 F214 R267 E345 | K210-N212 WeakPolarHBondContact CD-OD1 3.35Å; N212-F214 HydrophobicContact CB-CD2 4.36Å; N212-F214 HydrophobicContact CB-CE2 3.73Å; N212-F214 HydrophobicContact CB-CZ 4.14Å; N212-R267 PolarHBondContact N-O 2.95Å; N212-R267 PolarHBondContact O-N 3.45Å; N212-E345 PolarHBondContact ND2-OE1 3.24Å |
| 213 | Q | 81.5 | Confident | 78.5 | Confident | 136 Ų | 136 | 35 Ų | 35 | 64% | 0.636 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.1 | 165.5 | -58.1 | -164.8 | 20.6 | 0 | 0 | 110.9 | E346 | Q213-E346 PolarHBondContact N-OE2 2.87Å; Q213-E346 PolarHBondContact O-N 2.91Å; Q213-E346 VanDerWaalsContact O-N 3.13Å |
| 214 | F | 88.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.6 | 171.9 | -62.5 | -95 | 0 | 0 | 0 | 109.9 | N212 F265 K269 V272 V343 I344 E345 | N212-F214 HydrophobicContact CB-CD2 4.36Å; N212-F214 HydrophobicContact CB-CE2 3.73Å; N212-F214 HydrophobicContact CB-CZ 4.14Å; F214-F265 HydrophobicContact CB-CB 4.39Å; F214-F265 PolarHBondContact N-O 2.91Å; F214-F265 PolarHBondContact O-N 3.13Å; F214-K269 HydrophobicContact CE1-CG 4.19Å; F214-K269 HydrophobicContact CE2-CB 4.3Å; F214-K269 HydrophobicContact CZ-CB 3.73Å; F214-K269 HydrophobicContact CZ-CD 4.14Å; F214-K269 HydrophobicContact CZ-CG 3.7Å; F214-V272 HydrophobicContact CB-CG1 4.14Å; F214-V272 HydrophobicContact CD2-CB 4.31Å; F214-V272 HydrophobicContact CD2-CG1 4.39Å; F214-V272 HydrophobicContact CD2-CG2 3.76Å; F214-V272 HydrophobicContact CE2-CG2 4.16Å; F214-V272 HydrophobicContact CG-CG1 4.14Å; F214-V272 HydrophobicContact CG-CG2 4.34Å; F214-V343 HydrophobicContact CD1-CG1 4.26Å; F214-I344 CarbonylContact C-O 3.6Å; F214-I344 VanDerWaalsContact CA-O 3.24Å; F214-I344 WeakPolarHBondContact CA-O 3.24Å; F214-E345 HydrophobicContact CD1-CB 3.8Å; F214-E345 HydrophobicContact CD1-CG 3.97Å; F214-E345 HydrophobicContact CE1-CB 3.68Å; F214-E345 HydrophobicContact CE1-CG 3.43Å; F214-E345 VanDerWaalsContact CE1-CG 3.43Å; F214-E345 HydrophobicContact CZ-CG 3.96Å; F214-E345 WeakPolarHBondContact CZ-OE1 3.08Å |
| 215 | Q | 89.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.5 | 167.8 | -179.6 | 171.5 | 92 | 0 | 0 | 109.4 | D264 I344 | Q215-D264 WeakPolarHBondContact CG-OD1 3.24Å; Q215-D264 PolarHBondContact NE2-OD1 2.9Å; Q215-I344 HydrophobicContact CB-CB 4.4Å; Q215-I344 PolarHBondContact N-O 3.18Å; Q215-I344 PolarHBondContact O-N 2.9Å |
| 216 | L | 92.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 109.8 | 172.1 | 169.5 | 70.7 | 0 | 0 | 0 | 108.4 | I218 V239 F263 F265 I277 V305 H342 V343 | L216-I218 HydrophobicContact CD1-CD1 4.44Å; L216-I218 HydrophobicContact CD1-CG1 4.2Å; L216-I218 HydrophobicContact CD2-CD1 3.98Å; L216-I218 HydrophobicContact CD2-CG1 4.46Å; L216-I218 HydrophobicContact CG-CD1 4.12Å; L216-I218 HydrophobicContact CG-CG1 4.05Å; L216-V239 HydrophobicContact CD2-CB 4.38Å; L216-V239 HydrophobicContact CD2-CG1 3.77Å; L216-V239 HydrophobicContact CD2-CG2 3.9Å; L216-F263 HydrophobicContact CB-CB 4.3Å; L216-F263 PolarHBondContact N-O 3.36Å; L216-F263 PolarHBondContact O-N 2.83Å; L216-F265 HydrophobicContact CB-CE2 3.99Å; L216-F265 HydrophobicContact CD2-CE2 4.34Å; L216-I277 HydrophobicContact CD1-CD1 4.15Å; L216-I277 HydrophobicContact CD2-CD1 3.94Å; L216-I277 HydrophobicContact CD2-CG1 4.1Å; L216-V305 HydrophobicContact CD2-CG2 3.98Å; L216-H342 WeakPolarHBondContact CA-O 3.18Å; L216-V343 HydrophobicContact CD1-CG2 3.82Å |
| 217 | G | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y260 M341 H342 | G217-Y260 VanDerWaalsContact CA-OH 3.3Å; G217-Y260 WeakPolarHBondContact CA-OH 3.31Å; G217-M341 CarbonylContact O-C 3.56Å; G217-M341 VanDerWaalsContact O-CA 3.3Å; G217-M341 WeakPolarHBondContact O-CA 3.31Å; G217-H342 PolarHBondContact N-O 2.97Å; G217-H342 PolarHBondContact O-N 2.98Å |
| 218 | I | 94.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 116 | 174.9 | -61.1 | 175.5 | 0 | 0 | 0 | 108.4 | L216 V237 V239 F261 F263 I277 D340 M341 | L216-I218 HydrophobicContact CD1-CD1 4.44Å; L216-I218 HydrophobicContact CD1-CG1 4.2Å; L216-I218 HydrophobicContact CD2-CD1 3.98Å; L216-I218 HydrophobicContact CD2-CG1 4.46Å; L216-I218 HydrophobicContact CG-CD1 4.12Å; L216-I218 HydrophobicContact CG-CG1 4.05Å; I218-V237 HydrophobicContact CB-CG1 4.45Å; I218-V237 HydrophobicContact CD1-CG1 3.65Å; I218-V237 HydrophobicContact CG2-CG1 4.14Å; I218-V237 HydrophobicContact CG2-CG2 4.27Å; I218-V239 HydrophobicContact CD1-CG2 3.97Å; I218-F261 PolarHBondContact N-O 2.79Å; I218-F261 WeakPolarHBondContact O-CB 3.2Å; I218-F261 PolarHBondContact O-N 2.91Å; I218-F263 HydrophobicContact CD1-CD2 4.41Å; I218-F263 HydrophobicContact CD1-CE2 4.2Å; I218-I277 HydrophobicContact CD1-CD1 4.21Å; I218-I277 HydrophobicContact CD1-CG1 4.4Å; I218-I277 HydrophobicContact CD1-CG2 3.71Å; I218-D340 CarbonylContact C-O 3.54Å; I218-D340 WeakPolarHBondContact CA-O 3.4Å; I218-M341 HydrophobicContact CB-CG 4.49Å; I218-M341 HydrophobicContact CG1-CG 4.1Å; I218-M341 HydrophobicContact CG2-CG 4.17Å |
| 219 | N | 92.9 | Very high | 86.1 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.2 | 172 | -167.4 | 72.6 | 0 | 0 | 0 | 110.9 | V221 D258 N259 Y260 V339 D340 R355 | N219-V221 VanDerWaalsContact ND2-CG2 3.3Å; N219-V221 WeakPolarHBondContact ND2-CG2 3.26Å; N219-D258 PolarHBondContact ND2-OD1 2.72Å; N219-D258 PolarHBondContact OD1-OD1 3.05Å; N219-N259 VanDerWaalsContact OD1-C 3.29Å; N219-N259 PolarHBondContact OD1-O 3.08Å; N219-Y260 HydrophobicContact CB-CD2 4.19Å; N219-Y260 WeakPolarHBondContact OD1-CA 3.35Å; N219-Y260 PolarHBondContact OD1-N 2.77Å; N219-V339 VanDerWaalsContact O-CA 3.24Å; N219-V339 WeakPolarHBondContact O-CA 3.26Å; N219-D340 HydrophobicContact CB-CB 4.1Å; N219-D340 PolarHBondContact N-O 3.01Å; N219-D340 PolarHBondContact O-N 3.36Å; N219-D340 VanDerWaalsContact O-N 3.1Å; N219-R355 PolarHBondContact ND2-NH2 2.86Å; N219-R355 PolarHBondContact OD1-NH2 3.01Å |
| 220 | V | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 101.4 | 171.5 | 174.9 | 0 | 0 | 0 | 0 | 107.8 | I235 V237 T246 Y257 D258 N259 F261 V337 V339 | V220-I235 HydrophobicContact CG1-CB 4.39Å; V220-I235 HydrophobicContact CG1-CD1 3.85Å; V220-I235 HydrophobicContact CG1-CG2 4.27Å; V220-V237 HydrophobicContact CG2-CG2 3.87Å; V220-T246 HydrophobicContact CB-CG2 4.47Å; V220-T246 HydrophobicContact CG1-CG2 4.21Å; V220-Y257 HydrophobicContact CG1-CD2 4.14Å; V220-D258 WeakPolarHBondContact O-CA 3.35Å; V220-D258 PolarHBondContact O-N 3.31Å; V220-N259 PolarHBondContact N-O 2.8Å; V220-N259 PolarHBondContact O-N 2.94Å; V220-F261 HydrophobicContact CB-CE2 4.22Å; V220-F261 HydrophobicContact CG2-CD2 4.22Å; V220-F261 HydrophobicContact CG2-CE2 3.78Å; V220-V337 HydrophobicContact CG1-CG1 3.97Å; V220-V339 HydrophobicContact CG2-CG1 4.4Å |
| 221 | V | 89.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -59 | -175.3 | -176.6 | 0 | 0 | 0 | 0 | 110 | N219 F256 Y257 D258 K338 | N219-V221 VanDerWaalsContact ND2-CG2 3.3Å; N219-V221 WeakPolarHBondContact ND2-CG2 3.26Å; V221-F256 HydrophobicContact CG1-CE2 3.99Å; V221-Y257 PolarHBondContact O-N 2.86Å; V221-D258 PolarHBondContact O-N 2.82Å; V221-K338 HydrophobicContact CB-CB 4.18Å; V221-K338 HydrophobicContact CB-CD 3.94Å; V221-K338 HydrophobicContact CB-CG 3.98Å; V221-K338 HydrophobicContact CG1-CD 3.97Å; V221-K338 HydrophobicContact CG2-CD 4.15Å; V221-K338 HydrophobicContact CG2-CG 4.08Å; V221-K338 PolarHBondContact N-O 2.87Å |
| 222 | E | 92.4 | Very high | 87.4 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 167.3 | -171.9 | 56.6 | 175.4 | 144.6 | 0 | 0 | 110.4 | R224 P255 F256 W320 V337 K338 | E222-R224 VanDerWaalsContact CD-NH2 3.34Å; E222-R224 IonicContact OE1-CZ 3.87Å; E222-R224 IonicContact OE1-NE 3.85Å; E222-R224 IonicContact OE1-NH2 3.73Å; E222-R224 PolarHBondContact OE1-NH2 2.79Å; E222-R224 IonicContact OE2-CZ 2.77Å; E222-R224 VanDerWaalsContact OE2-CZ 3.3Å; E222-R224 IonicContact OE2-NE 2.83Å; E222-R224 PolarHBondContact OE2-NE 2.64Å; E222-R224 IonicContact OE2-NH2 3.64Å; E222-R224 PolarHBondContact OE2-NH2 3.36Å; E222-P255 CarbonylContact C-O 3.47Å; E222-P255 WeakPolarHBondContact CA-O 3.2Å; E222-F256 HydrophobicContact CB-CD2 3.99Å; E222-W320 HydrophobicContact CG-CH2 3.69Å; E222-W320 HydrophobicContact CG-CZ3 4.16Å; E222-V337 CarbonylContact O-C 3.36Å; E222-V337 WeakPolarHBondContact O-CA 2.81Å; E222-K338 HydrophobicContact CG-CB 3.73Å; E222-K338 HydrophobicContact CG-CD 4.16Å; E222-K338 PolarHBondContact O-N 2.95Å; E222-K338 WeakPolarHBondContact OE1-CE 3.19Å; E222-K338 IonicContact OE1-NZ 3.61Å; E222-K338 PolarHBondContact OE1-NZ 2.77Å |
| 223 | A | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L226 I235 C254 P255 Y336 V337 | A223-L226 HydrophobicContact CB-CD1 4.19Å; A223-L226 HydrophobicContact CB-CD2 4.05Å; A223-L226 HydrophobicContact CB-CG 4.21Å; A223-I235 HydrophobicContact CB-CD1 4.04Å; A223-C254 CarbonylContact O-C 3.52Å; A223-C254 WeakPolarHBondContact O-CA 3.43Å; A223-P255 HydrophobicContact CB-CG 4.05Å; A223-P255 PolarHBondContact N-O 2.97Å; A223-P255 VanDerWaalsContact O-CD 3.28Å; A223-P255 WeakPolarHBondContact O-CD 3.39Å; A223-Y336 CarbonylContact C-O 3.56Å; A223-Y336 WeakPolarHBondContact CA-O 3.2Å; A223-Y336 VanDerWaalsContact CB-O 3.29Å; A223-Y336 WeakPolarHBondContact CB-O 3.35Å; A223-V337 HydrophobicContact CB-CG2 4.05Å |
| 224 | R | 91.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156.5 | 177.6 | -67.9 | -176 | -164 | 171.3 | 16 | 110.8 | E222 L226 W320 Y336 D359 H360 I364 | E222-R224 VanDerWaalsContact CD-NH2 3.34Å; E222-R224 IonicContact OE1-CZ 3.87Å; E222-R224 IonicContact OE1-NE 3.85Å; E222-R224 IonicContact OE1-NH2 3.73Å; E222-R224 PolarHBondContact OE1-NH2 2.79Å; E222-R224 IonicContact OE2-CZ 2.77Å; E222-R224 VanDerWaalsContact OE2-CZ 3.3Å; E222-R224 IonicContact OE2-NE 2.83Å; E222-R224 PolarHBondContact OE2-NE 2.64Å; E222-R224 IonicContact OE2-NH2 3.64Å; E222-R224 PolarHBondContact OE2-NH2 3.36Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 2.67Å; R224-W320 HydrophobicContact CB-CH2 4.13Å; R224-W320 HydrophobicContact CB-CZ3 4.15Å; R224-W320 HydrophobicContact CG-CH2 3.68Å; R224-W320 HydrophobicContact CG-CZ3 4.13Å; R224-Y336 PolarHBondContact N-O 3.46Å; R224-Y336 PolarHBondContact O-N 2.83Å; R224-D359 PolarHBondContact NH1-O 3.13Å; R224-D359 PolarHBondContact NH2-O 3.48Å; R224-H360 PolarHBondContact NH1-O 2.88Å; R224-I364 HydrophobicContact CB-CD1 4.18Å |
| 225 | K | 87.9 | Confident | 89.1 | Confident | 128 Ų | 128 | 32.9 Ų | 32.9 | 56% | 0.557 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 56.9 | 33.3 | 175.2 | -54.5 | -179.8 | -179 | 177.2 | 0 | 114.2 | N253 C254 G335 Y336 I364 | K225-N253 PolarHBondContact N-O 2.94Å; K225-C254 PolarHBondContact N-SG 3.5Å; K225-G335 WeakPolarHBondContact O-CA 3.23Å; K225-Y336 HydrophobicContact CB-CD2 4.32Å; K225-Y336 HydrophobicContact CB-CE2 4.49Å; K225-Y336 HydrophobicContact CD-CD2 4.48Å; K225-Y336 HydrophobicContact CD-CE2 4.23Å; K225-I364 HydrophobicContact CD-CD1 4.28Å |
| 226 | L | 91.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -65.2 | 132.6 | 178 | -62.2 | 178.9 | 0 | 0 | 0 | 111.6 | A223 R224 G228 I231 P233 N253 P255 V281 I323 T334 | A223-L226 HydrophobicContact CB-CD1 4.19Å; A223-L226 HydrophobicContact CB-CD2 4.05Å; A223-L226 HydrophobicContact CB-CG 4.21Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 2.67Å; L226-G228 PolarHBondContact O-N 3.21Å; L226-I231 HydrophobicContact CB-CD1 3.62Å; L226-I231 HydrophobicContact CD1-CD1 4.16Å; L226-P233 HydrophobicContact CD1-CB 3.66Å; L226-P233 HydrophobicContact CD1-CG 4.11Å; L226-N253 HydrophobicContact CB-CB 4.41Å; L226-N253 VanDerWaalsContact CB-O 3.3Å; L226-N253 WeakPolarHBondContact CB-O 3.3Å; L226-N253 WeakPolarHBondContact CG-O 3.36Å; L226-N253 PolarHBondContact N-O 2.73Å; L226-N253 WeakPolarHBondContact O-CB 3.38Å; L226-P255 HydrophobicContact CD1-CG 3.77Å; L226-V281 HydrophobicContact CD1-CG1 4.11Å; L226-V281 HydrophobicContact CD2-CG1 4.1Å; L226-I323 HydrophobicContact CD2-CD1 3.63Å; L226-T334 WeakPolarHBondContact CA-O 3.49Å | ||
| 227 | V | 85.5 | Confident | 89.5 | Confident | 91 Ų | 91 | 30.1 Ų | 30.1 | 55% | 0.552 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -75.5 | 110.9 | -175.8 | 173.2 | 0 | 0 | 0 | 0 | 112.7 | T334 | V227-T334 PolarHBondContact N-O 3.45Š|
| 228 | G | 79.6 | Confident | 89.6 | Confident | 40 Ų | 40 | 31.2 Ų | 31.2 | 41% | 0.412 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 147.7 | 155.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L226 | L226-G228 PolarHBondContact O-N 3.21Š|
| 229 | T | 74.4 | Confident | 89.5 | Confident | 134 Ų | 134 | 31.3 Ų | 31.3 | 82% | 0.822 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -86.4 | 140.1 | 172.4 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | I231 | T229-I231 PolarHBondContact O-N 3.21Å; T229-I231 VanDerWaalsContact O-N 3.11Å |
| 230 | N | 72.4 | Confident | 88.9 | Confident | 130 Ų | 130 | 32.1 Ų | 32.1 | 70% | 0.695 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 43.1 | 44.5 | 179.5 | -63.6 | 3.2 | 0 | 0 | 0 | 114.3 | ||
| 231 | I | 85.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | trans | -78.3 | 151.4 | 176.9 | 65.8 | 170.5 | 0 | 0 | 0 | 111 | L226 T229 P233 S251 T252 N283 | L226-I231 HydrophobicContact CB-CD1 3.62Å; L226-I231 HydrophobicContact CD1-CD1 4.16Å; T229-I231 PolarHBondContact O-N 3.21Å; T229-I231 VanDerWaalsContact O-N 3.11Å; I231-P233 VanDerWaalsContact O-CD 3.24Å; I231-P233 WeakPolarHBondContact O-CD 3.44Å; I231-S251 CarbonylContact O-C 3.58Å; I231-S251 VanDerWaalsContact O-CA 3.3Å; I231-S251 WeakPolarHBondContact O-CA 3.4Å; I231-S251 PolarHBondContact O-N 3Å; I231-T252 VanDerWaalsContact CG1-O 3.29Å; I231-T252 WeakPolarHBondContact CG1-O 3.24Å; I231-T252 PolarHBondContact O-N 2.73Å; I231-N283 HydrophobicContact CB-CB 4.29Å; I231-N283 WeakPolarHBondContact CG2-ND2 3.09Å | ||
| 232 | N | 89.4 | Confident | 88 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | trans | -112.8 | 83.7 | 176.6 | -48.1 | -68.5 | 0 | 0 | 0 | 109 | T248 K249 Y250 S251 N283 M284 | N232-T248 HydrophobicContact CB-CG2 3.97Å; N232-K249 CarbonylContact C-O 3.44Å; N232-K249 WeakPolarHBondContact CA-O 3.21Å; N232-K249 WeakPolarHBondContact CB-O 3.48Å; N232-Y250 HydrophobicContact CB-CD1 4.04Å; N232-Y250 WeakPolarHBondContact OD1-CA 3.48Å; N232-Y250 WeakPolarHBondContact OD1-CD1 3.37Å; N232-S251 PolarHBondContact OD1-N 3.37Å; N232-S251 VanDerWaalsContact OD1-N 3.13Å; N232-N283 PolarHBondContact N-OD1 3.5Å; N232-M284 HydrophobicContact CB-CB 4.37Å; N232-M284 WeakPolarHBondContact CB-O 3Å; N232-M284 PolarHBondContact ND2-O 3.06Å; N232-M284 PolarHBondContact O-N 3.01Å | ||
| 233 | P | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 141 | -171 | 29.5 | -36 | 0 | 0 | 0 | 112.4 | L226 I231 T248 K249 T252 P255 Y257 V281 F282 | L226-P233 HydrophobicContact CD1-CB 3.66Å; L226-P233 HydrophobicContact CD1-CG 4.11Å; I231-P233 VanDerWaalsContact O-CD 3.24Å; I231-P233 WeakPolarHBondContact O-CD 3.44Å; P233-T248 WeakPolarHBondContact O-CA 3.06Å; P233-K249 VanDerWaalsContact CD-O 3.28Å; P233-K249 WeakPolarHBondContact CD-O 3.39Å; P233-K249 HydrophobicContact CG-CB 4.31Å; P233-K249 PolarHBondContact O-N 2.69Å; P233-T252 WeakPolarHBondContact CD-O 3.2Å; P233-T252 HydrophobicContact CG-CG2 4.12Å; P233-T252 WeakPolarHBondContact CG-O 3.23Å; P233-P255 HydrophobicContact CB-CG 4.02Å; P233-P255 HydrophobicContact CG-CB 3.78Å; P233-P255 HydrophobicContact CG-CG 3.54Å; P233-Y257 PolarHBondContact O-OH 2.83Å; P233-V281 HydrophobicContact CB-CG1 4.31Å; P233-F282 WeakPolarHBondContact CA-O 3.22Å |
| 234 | M | 93.1 | Very high | 87.9 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132 | 169.2 | 179.1 | -162 | 66.3 | 0 | 0 | 107.6 | T236 K245 F282 M284 | M234-T236 HydrophobicContact CE-CG2 3.71Å; M234-K245 HydrophobicContact CE-CD 4.4Å; M234-K245 HydrophobicContact SD-CD 4.16Å; M234-F282 HydrophobicContact CE-CB 4.2Å; M234-F282 HydrophobicContact CE-CD2 4.14Å; M234-F282 HydrophobicContact CE-CG 4.44Å; M234-F282 PolarHBondContact N-O 2.85Å; M234-F282 PolarHBondContact O-N 3.42Å; M234-M284 HydrophobicContact CB-CG 3.78Å; M234-M284 HydrophobicContact CE-CE 4.35Å; M234-M284 HydrophobicContact CE-CG 4.33Å; M234-M284 HydrophobicContact CE-SD 3.7Å; M234-M284 HydrophobicContact SD-CE 4.37Å; M234-M284 HydrophobicContact SD-CG 4.33Å; M234-M284 HydrophobicContact SD-SD 4.23Å |
| 235 | I | 95.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.3 | 180 | -50.9 | -165.7 | 0 | 0 | 0 | 109.3 | V220 A223 K245 T246 Y257 I279 R280 V281 V337 | V220-I235 HydrophobicContact CG1-CB 4.39Å; V220-I235 HydrophobicContact CG1-CD1 3.85Å; V220-I235 HydrophobicContact CG1-CG2 4.27Å; A223-I235 HydrophobicContact CB-CD1 4.04Å; I235-K245 CarbonylContact O-C 3.52Å; I235-K245 WeakPolarHBondContact O-CA 3.32Å; I235-T246 HydrophobicContact CB-CG2 3.87Å; I235-T246 PolarHBondContact N-OG1 2.66Å; I235-T246 PolarHBondContact O-N 3.32Å; I235-T246 PolarHBondContact O-OG1 2.97Å; I235-Y257 HydrophobicContact CD1-CD2 4.19Å; I235-Y257 HydrophobicContact CD1-CE2 3.52Å; I235-Y257 HydrophobicContact CG1-CE2 3.81Å; I235-I279 HydrophobicContact CG2-CG2 3.63Å; I235-R280 CarbonylContact C-O 3.44Å; I235-R280 WeakPolarHBondContact CA-O 2.84Å; I235-V281 HydrophobicContact CD1-CG2 3.95Å; I235-V281 HydrophobicContact CG1-CG1 4.38Å; I235-V281 HydrophobicContact CG1-CG2 3.93Å; I235-V281 HydrophobicContact CG2-CG2 4.44Å; I235-V337 HydrophobicContact CD1-CG1 3.78Å; I235-V337 HydrophobicContact CD1-CG2 4.01Å |
| 236 | T | 94.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.4 | 174.3 | 74.5 | 0 | 0 | 0 | 0 | 110.6 | M234 Q244 K245 I279 R280 F282 | M234-T236 HydrophobicContact CE-CG2 3.71Å; T236-Q244 CarbonylContact C-O 3.56Å; T236-Q244 WeakPolarHBondContact CA-O 3.41Å; T236-K245 HydrophobicContact CG2-CB 4.32Å; T236-K245 HydrophobicContact CG2-CD 4.01Å; T236-K245 HydrophobicContact CG2-CG 3.77Å; T236-I279 WeakPolarHBondContact O-CA 3.39Å; T236-R280 PolarHBondContact N-O 2.82Å; T236-R280 PolarHBondContact O-N 3.42Å; T236-F282 HydrophobicContact CG2-CD2 3.94Å; T236-F282 HydrophobicContact CG2-CE2 3.9Å |
| 237 | V | 96.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | I218 V220 V239 V243 Q244 F261 F263 R278 I279 | I218-V237 HydrophobicContact CB-CG1 4.45Å; I218-V237 HydrophobicContact CD1-CG1 3.65Å; I218-V237 HydrophobicContact CG2-CG1 4.14Å; I218-V237 HydrophobicContact CG2-CG2 4.27Å; V220-V237 HydrophobicContact CG2-CG2 3.87Å; V237-V239 HydrophobicContact CG1-CG2 4.26Å; V237-V243 WeakPolarHBondContact O-CA 3.27Å; V237-Q244 PolarHBondContact N-O 2.64Å; V237-Q244 PolarHBondContact O-N 2.71Å; V237-F261 HydrophobicContact CB-CD2 4.13Å; V237-F261 HydrophobicContact CB-CE2 4.45Å; V237-F261 HydrophobicContact CG2-CD2 3.65Å; V237-F261 HydrophobicContact CG2-CE2 3.72Å; V237-F263 HydrophobicContact CB-CZ 4.26Å; V237-F263 HydrophobicContact CG1-CE2 3.84Å; V237-F263 HydrophobicContact CG1-CZ 3.82Å; V237-R278 WeakPolarHBondContact CA-O 3.12Å; V237-I279 HydrophobicContact CG2-CG1 4.4Å |
| 238 | N | 93.9 | Very high | 87.9 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.3 | 177.1 | 174 | 110.7 | 0 | 0 | 0 | 109.6 | G240 S242 V243 I277 R278 | N238-G240 PolarHBondContact ND2-O 2.99Å; N238-S242 CarbonylContact C-O 3.55Å; N238-S242 VanDerWaalsContact CA-O 3.25Å; N238-S242 WeakPolarHBondContact CA-O 3.3Å; N238-V243 HydrophobicContact CB-CG2 4.21Å; N238-V243 WeakPolarHBondContact OD1-CG2 3.38Å; N238-I277 CarbonylContact O-C 3.57Å; N238-I277 WeakPolarHBondContact O-CA 3.42Å; N238-R278 HydrophobicContact CB-CB 4.45Å; N238-R278 PolarHBondContact N-O 3.17Å; N238-R278 PolarHBondContact O-N 2.95Å |
| 239 | V | 91.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.4 | 172.1 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | L216 I218 V237 K241 S242 F263 F265 E275 I276 I277 V305 | L216-V239 HydrophobicContact CD2-CB 4.38Å; L216-V239 HydrophobicContact CD2-CG1 3.77Å; L216-V239 HydrophobicContact CD2-CG2 3.9Å; I218-V239 HydrophobicContact CD1-CG2 3.97Å; V237-V239 HydrophobicContact CG1-CG2 4.26Å; V239-K241 PolarHBondContact O-N 3.15Å; V239-S242 PolarHBondContact N-O 3.44Å; V239-S242 PolarHBondContact O-N 2.9Å; V239-F263 HydrophobicContact CB-CD1 4Å; V239-F263 HydrophobicContact CB-CE1 4.19Å; V239-F263 HydrophobicContact CB-CG 4.29Å; V239-F263 HydrophobicContact CG2-CD1 4Å; V239-F263 HydrophobicContact CG2-CD2 3.97Å; V239-F263 HydrophobicContact CG2-CE1 3.93Å; V239-F263 HydrophobicContact CG2-CE2 3.91Å; V239-F263 HydrophobicContact CG2-CG 4.03Å; V239-F263 HydrophobicContact CG2-CZ 3.89Å; V239-F265 HydrophobicContact CB-CZ 4.45Å; V239-F265 HydrophobicContact CG1-CZ 3.77Å; V239-E275 HydrophobicContact CG1-CB 4.36Å; V239-I276 WeakPolarHBondContact CA-O 2.75Å; V239-I277 HydrophobicContact CG1-CG1 4.12Å; V239-I277 HydrophobicContact CG2-CG1 4.14Å; V239-I277 HydrophobicContact CG2-CG2 4.37Å; V239-V305 HydrophobicContact CG1-CG2 4.4Å |
| 240 | G | 80 | Confident | 88.6 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -110.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N238 E275 I276 | N238-G240 PolarHBondContact ND2-O 2.99Å; G240-E275 WeakPolarHBondContact CA-OE2 3.45Å; G240-I276 PolarHBondContact N-O 2.85Å |
| 241 | K | 78.6 | Confident | 89 | Confident | 180 Ų | 180 | 46.5 Ų | 46.5 | 78% | 0.783 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.9 | 178.3 | -66.3 | 174.8 | -179 | 169.7 | 0 | 114.1 | V239 | V239-K241 PolarHBondContact O-N 3.15Š|
| 242 | S | 88.2 | Confident | 89 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.7 | -177 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | N238 V239 | N238-S242 CarbonylContact C-O 3.55Å; N238-S242 VanDerWaalsContact CA-O 3.25Å; N238-S242 WeakPolarHBondContact CA-O 3.3Å; V239-S242 PolarHBondContact N-O 3.44Å; V239-S242 PolarHBondContact O-N 2.9Å |
| 243 | V | 90.6 | Very high | 88.7 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 119 | -178.8 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | V237 N238 K245 | V237-V243 WeakPolarHBondContact O-CA 3.27Å; N238-V243 HydrophobicContact CB-CG2 4.21Å; N238-V243 WeakPolarHBondContact OD1-CG2 3.38Å; V243-K245 HydrophobicContact CG1-CG 4.44Å |
| 244 | Q | 92 | Very high | 88.4 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 160.1 | 172 | -58.4 | -175.1 | 29.8 | 0 | 0 | 110.2 | T236 V237 F261 A262 F263 | T236-Q244 CarbonylContact C-O 3.56Å; T236-Q244 WeakPolarHBondContact CA-O 3.41Å; V237-Q244 PolarHBondContact N-O 2.64Å; V237-Q244 PolarHBondContact O-N 2.71Å; Q244-F261 HydrophobicContact CB-CB 4.44Å; Q244-F261 HydrophobicContact CB-CD1 3.58Å; Q244-F261 HydrophobicContact CB-CE1 3.98Å; Q244-F261 HydrophobicContact CB-CG 4.08Å; Q244-F261 HydrophobicContact CG-CD1 4.47Å; Q244-F261 VanDerWaalsContact OE1-CD1 3.27Å; Q244-A262 PolarHBondContact NE2-O 2.76Å; Q244-F263 HydrophobicContact CB-CZ 4.1Å; Q244-F263 HydrophobicContact CG-CE1 3.94Å; Q244-F263 HydrophobicContact CG-CZ 3.85Å |
| 245 | K | 91.7 | Very high | 88.2 | Confident | 126 Ų | 126 | 53.5 Ų | 53.5 | 55% | 0.548 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 145.2 | -169.7 | -48.2 | -175.2 | -174.9 | 168.7 | 0 | 111.9 | M234 I235 T236 V243 | M234-K245 HydrophobicContact CE-CD 4.4Å; M234-K245 HydrophobicContact SD-CD 4.16Å; I235-K245 CarbonylContact O-C 3.52Å; I235-K245 WeakPolarHBondContact O-CA 3.32Å; T236-K245 HydrophobicContact CG2-CB 4.32Å; T236-K245 HydrophobicContact CG2-CD 4.01Å; T236-K245 HydrophobicContact CG2-CG 3.77Å; V243-K245 HydrophobicContact CG1-CG 4.44Å |
| 246 | T | 91.3 | Very high | 87.9 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 167.1 | 168.4 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | V220 I235 Y257 N259 F261 | V220-T246 HydrophobicContact CB-CG2 4.47Å; V220-T246 HydrophobicContact CG1-CG2 4.21Å; I235-T246 HydrophobicContact CB-CG2 3.87Å; I235-T246 PolarHBondContact N-OG1 2.66Å; I235-T246 PolarHBondContact O-N 3.32Å; I235-T246 PolarHBondContact O-OG1 2.97Å; T246-Y257 HydrophobicContact CG2-CD1 3.92Å; T246-Y257 HydrophobicContact CG2-CE1 4.24Å; T246-Y257 HydrophobicContact CG2-CG 4.08Å; T246-Y257 WeakPolarHBondContact OG1-CE1 3.34Å; T246-N259 HydrophobicContact CG2-CB 4.01Å; T246-F261 HydrophobicContact CG2-CE2 4.26Å; T246-F261 HydrophobicContact CG2-CZ 3.87Å |
| 247 | V | 86 | Confident | 87.6 | Confident | 87 Ų | 87 | 59 Ų | 59 | 53% | 0.527 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 154.8 | 159.1 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | Y257 | V247-Y257 HydrophobicContact CG2-CD1 4.4Å; V247-Y257 WeakPolarHBondContact O-CE1 3.31Å |
| 248 | T | 87.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 62 Ų | 62 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 122.2 | 169.7 | -57 | 0 | 0 | 0 | 0 | 109.1 | N232 P233 Y250 M284 | N232-T248 HydrophobicContact CB-CG2 3.97Å; P233-T248 WeakPolarHBondContact O-CA 3.06Å; T248-Y250 HydrophobicContact CG2-CD1 4.44Å; T248-Y250 HydrophobicContact CG2-CE1 3.96Å; T248-Y250 WeakPolarHBondContact O-CE2 3.44Å; T248-M284 HydrophobicContact CG2-CB 3.91Å; T248-M284 HydrophobicContact CG2-CG 4.1Å |
| 249 | K | 86.4 | Confident | 87 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 154.6 | 166.9 | -60.3 | -82.7 | 171 | 140.9 | 0 | 108.1 | N232 P233 T252 P255 F256 Y257 | N232-K249 CarbonylContact C-O 3.44Å; N232-K249 WeakPolarHBondContact CA-O 3.21Å; N232-K249 WeakPolarHBondContact CB-O 3.48Å; P233-K249 VanDerWaalsContact CD-O 3.28Å; P233-K249 WeakPolarHBondContact CD-O 3.39Å; P233-K249 HydrophobicContact CG-CB 4.31Å; P233-K249 PolarHBondContact O-N 2.69Å; K249-T252 HydrophobicContact CB-CG2 3.89Å; K249-P255 HydrophobicContact CB-CB 4.02Å; K249-P255 HydrophobicContact CG-CB 3.96Å; K249-F256 WeakPolarHBondContact CE-O 3.37Å; K249-F256 PolarHBondContact NZ-O 3.34Å; K249-Y257 HydrophobicContact CG-CD1 4.21Å; K249-Y257 HydrophobicContact CG-CE1 3.67Å |
| 250 | Y | 81.4 | Confident | 86.9 | Confident | 113 Ų | 113 | 68 Ų | 68 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | trans | -115.6 | 146 | -173.9 | -59 | -81.9 | 0 | 0 | 0 | 111.5 | N232 T248 T252 R291 | N232-Y250 HydrophobicContact CB-CD1 4.04Å; N232-Y250 WeakPolarHBondContact OD1-CA 3.48Å; N232-Y250 WeakPolarHBondContact OD1-CD1 3.37Å; T248-Y250 HydrophobicContact CG2-CD1 4.44Å; T248-Y250 HydrophobicContact CG2-CE1 3.96Å; T248-Y250 WeakPolarHBondContact O-CE2 3.44Å; Y250-T252 VanDerWaalsContact C-N 3.28Å; Y250-T252 PolarHBondContact O-N 3.03Å; Y250-T252 VanDerWaalsContact O-N 3.13Å; Y250-R291 PolarHBondContact OH-NH1 3.12Å | ||
| 251 | S | 82.3 | Confident | 87.5 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 54% | 0.538 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 48.4 | 36.4 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 116.3 | I231 N232 | I231-S251 CarbonylContact O-C 3.58Å; I231-S251 VanDerWaalsContact O-CA 3.3Å; I231-S251 WeakPolarHBondContact O-CA 3.4Å; I231-S251 PolarHBondContact O-N 3Å; N232-S251 PolarHBondContact OD1-N 3.37Å; N232-S251 VanDerWaalsContact OD1-N 3.13Å |
| 252 | T | 83.8 | Confident | 88 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | trans | -137 | 140.1 | -177.2 | 178.9 | 0 | 0 | 0 | 0 | 113.4 | I231 P233 K249 Y250 C254 P255 | I231-T252 VanDerWaalsContact CG1-O 3.29Å; I231-T252 WeakPolarHBondContact CG1-O 3.24Å; I231-T252 PolarHBondContact O-N 2.73Å; P233-T252 WeakPolarHBondContact CD-O 3.2Å; P233-T252 HydrophobicContact CG-CG2 4.12Å; P233-T252 WeakPolarHBondContact CG-O 3.23Å; K249-T252 HydrophobicContact CB-CG2 3.89Å; Y250-T252 VanDerWaalsContact C-N 3.28Å; Y250-T252 PolarHBondContact O-N 3.03Å; Y250-T252 VanDerWaalsContact O-N 3.13Å; T252-C254 PolarHBondContact OG1-N 3.45Å; T252-C254 VanDerWaalsContact OG1-N 3.14Å; T252-P255 HydrophobicContact CG2-CB 4Å | ||
| 253 | N | 83 | Confident | 88.1 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -96.8 | -7 | 172.9 | 62.9 | -12.8 | 0 | 0 | 0 | 113.7 | K225 L226 P255 | K225-N253 PolarHBondContact N-O 2.94Å; L226-N253 HydrophobicContact CB-CB 4.41Å; L226-N253 VanDerWaalsContact CB-O 3.3Å; L226-N253 WeakPolarHBondContact CB-O 3.3Å; L226-N253 WeakPolarHBondContact CG-O 3.36Å; L226-N253 PolarHBondContact N-O 2.73Å; L226-N253 WeakPolarHBondContact O-CB 3.38Å; N253-P255 VanDerWaalsContact C-CD 3.48Å |
| 254 | C | 87.8 | Confident | 88 | Confident | 61 Ų | 61 | 60 Ų | 60 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -130.4 | 63.5 | 179.3 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | A223 K225 T252 | A223-C254 CarbonylContact O-C 3.52Å; A223-C254 WeakPolarHBondContact O-CA 3.43Å; K225-C254 PolarHBondContact N-SG 3.5Å; T252-C254 PolarHBondContact OG1-N 3.45Å; T252-C254 VanDerWaalsContact OG1-N 3.14Å |
| 255 | P | 90.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | trans | -75.6 | 125.6 | -177 | 32.1 | -39.2 | 0 | 0 | 0 | 113.9 | E222 A223 L226 P233 K249 T252 N253 Y257 | E222-P255 CarbonylContact C-O 3.47Å; E222-P255 WeakPolarHBondContact CA-O 3.2Å; A223-P255 HydrophobicContact CB-CG 4.05Å; A223-P255 PolarHBondContact N-O 2.97Å; A223-P255 VanDerWaalsContact O-CD 3.28Å; A223-P255 WeakPolarHBondContact O-CD 3.39Å; L226-P255 HydrophobicContact CD1-CG 3.77Å; P233-P255 HydrophobicContact CB-CG 4.02Å; P233-P255 HydrophobicContact CG-CB 3.78Å; P233-P255 HydrophobicContact CG-CG 3.54Å; K249-P255 HydrophobicContact CB-CB 4.02Å; K249-P255 HydrophobicContact CG-CB 3.96Å; T252-P255 HydrophobicContact CG2-CB 4Å; N253-P255 VanDerWaalsContact C-CD 3.48Å; P255-Y257 HydrophobicContact CB-CD2 4.49Å; P255-Y257 HydrophobicContact CB-CE1 4.35Å; P255-Y257 HydrophobicContact CB-CE2 3.69Å; P255-Y257 HydrophobicContact CG-CE2 3.61Å; P255-Y257 WeakPolarHBondContact CG-OH 3Å; P255-Y257 WeakPolarHBondContact O-CE2 3.19Å | ||
| 256 | F | 88.9 | Confident | 87.4 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 46% | 0.456 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 141.5 | 164.8 | -171.2 | -90.4 | 0 | 0 | 0 | 111.7 | V221 E222 K249 D258 | V221-F256 HydrophobicContact CG1-CE2 3.99Å; E222-F256 HydrophobicContact CB-CD2 3.99Å; K249-F256 WeakPolarHBondContact CE-O 3.37Å; K249-F256 PolarHBondContact NZ-O 3.34Å; F256-D258 HydrophobicContact CE1-CB 3.9Å; F256-D258 HydrophobicContact CZ-CB 3.93Å |
| 257 | Y | 89.1 | Confident | 87.1 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 8% | 0.078 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | -53.6 | -176.2 | -61.4 | -78.3 | 0 | 0 | 0 | 114.4 | V220 V221 P233 I235 T246 V247 K249 P255 N259 | V220-Y257 HydrophobicContact CG1-CD2 4.14Å; V221-Y257 PolarHBondContact O-N 2.86Å; P233-Y257 PolarHBondContact O-OH 2.83Å; I235-Y257 HydrophobicContact CD1-CD2 4.19Å; I235-Y257 HydrophobicContact CD1-CE2 3.52Å; I235-Y257 HydrophobicContact CG1-CE2 3.81Å; T246-Y257 HydrophobicContact CG2-CD1 3.92Å; T246-Y257 HydrophobicContact CG2-CE1 4.24Å; T246-Y257 HydrophobicContact CG2-CG 4.08Å; T246-Y257 WeakPolarHBondContact OG1-CE1 3.34Å; V247-Y257 HydrophobicContact CG2-CD1 4.4Å; V247-Y257 WeakPolarHBondContact O-CE1 3.31Å; K249-Y257 HydrophobicContact CG-CD1 4.21Å; K249-Y257 HydrophobicContact CG-CE1 3.67Å; P255-Y257 HydrophobicContact CB-CD2 4.49Å; P255-Y257 HydrophobicContact CB-CE1 4.35Å; P255-Y257 HydrophobicContact CB-CE2 3.69Å; P255-Y257 HydrophobicContact CG-CE2 3.61Å; P255-Y257 WeakPolarHBondContact CG-OH 3Å; P255-Y257 WeakPolarHBondContact O-CE2 3.19Å; Y257-N259 VanDerWaalsContact C-N 3.29Å; Y257-N259 PolarHBondContact O-N 3.25Å |
| 258 | D | 87.4 | Confident | 87 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 43.2 | 48.4 | -162.5 | -153 | 22.7 | 0 | 0 | 0 | 114.4 | N219 V220 V221 F256 R355 | N219-D258 PolarHBondContact ND2-OD1 2.72Å; N219-D258 PolarHBondContact OD1-OD1 3.05Å; V220-D258 WeakPolarHBondContact O-CA 3.35Å; V220-D258 PolarHBondContact O-N 3.31Å; V221-D258 PolarHBondContact O-N 2.82Å; F256-D258 HydrophobicContact CE1-CB 3.9Å; F256-D258 HydrophobicContact CZ-CB 3.93Å; D258-R355 VanDerWaalsContact CG-NH1 3.28Å; D258-R355 IonicContact OD1-CZ 3.22Å; D258-R355 IonicContact OD1-NH1 2.81Å; D258-R355 PolarHBondContact OD1-NH1 2.85Å; D258-R355 IonicContact OD1-NH2 3.25Å; D258-R355 PolarHBondContact OD1-NH2 2.78Å; D258-R355 IonicContact OD2-CZ 2.89Å; D258-R355 IonicContact OD2-NH1 2.68Å; D258-R355 PolarHBondContact OD2-NH1 2.87Å; D258-R355 IonicContact OD2-NH2 3.78Å |
| 259 | N | 89.1 | Confident | 87 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.2 | 179.5 | -88.1 | 123.6 | 0 | 0 | 0 | 111.4 | N219 V220 T246 Y257 F261 | N219-N259 VanDerWaalsContact OD1-C 3.29Å; N219-N259 PolarHBondContact OD1-O 3.08Å; V220-N259 PolarHBondContact N-O 2.8Å; V220-N259 PolarHBondContact O-N 2.94Å; T246-N259 HydrophobicContact CG2-CB 4.01Å; Y257-N259 VanDerWaalsContact C-N 3.29Å; Y257-N259 PolarHBondContact O-N 3.25Å; N259-F261 HydrophobicContact CB-CE1 4.41Å; N259-F261 HydrophobicContact CB-CE2 4.27Å; N259-F261 HydrophobicContact CB-CZ 3.89Å |
| 260 | Y | 89.9 | Confident | 87 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 141.3 | 170.9 | -176.7 | -116.6 | 0 | 0 | 0 | 112.5 | G217 N219 A262 H342 | G217-Y260 VanDerWaalsContact CA-OH 3.3Å; G217-Y260 WeakPolarHBondContact CA-OH 3.31Å; N219-Y260 HydrophobicContact CB-CD2 4.19Å; N219-Y260 WeakPolarHBondContact OD1-CA 3.35Å; N219-Y260 PolarHBondContact OD1-N 2.77Å; Y260-A262 HydrophobicContact CE1-CB 4.06Å; Y260-H342 AromaticContact CE2-CE1 3.89Å |
| 261 | F | 91.7 | Very high | 87.2 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 123 | 176.8 | -55.9 | -60.7 | 0 | 0 | 0 | 109.8 | I218 V220 V237 Q244 T246 N259 F263 | I218-F261 PolarHBondContact N-O 2.79Å; I218-F261 WeakPolarHBondContact O-CB 3.2Å; I218-F261 PolarHBondContact O-N 2.91Å; V220-F261 HydrophobicContact CB-CE2 4.22Å; V220-F261 HydrophobicContact CG2-CD2 4.22Å; V220-F261 HydrophobicContact CG2-CE2 3.78Å; V237-F261 HydrophobicContact CB-CD2 4.13Å; V237-F261 HydrophobicContact CB-CE2 4.45Å; V237-F261 HydrophobicContact CG2-CD2 3.65Å; V237-F261 HydrophobicContact CG2-CE2 3.72Å; Q244-F261 HydrophobicContact CB-CB 4.44Å; Q244-F261 HydrophobicContact CB-CD1 3.58Å; Q244-F261 HydrophobicContact CB-CE1 3.98Å; Q244-F261 HydrophobicContact CB-CG 4.08Å; Q244-F261 HydrophobicContact CG-CD1 4.47Å; Q244-F261 VanDerWaalsContact OE1-CD1 3.27Å; T246-F261 HydrophobicContact CG2-CE2 4.26Å; T246-F261 HydrophobicContact CG2-CZ 3.87Å; N259-F261 HydrophobicContact CB-CE1 4.41Å; N259-F261 HydrophobicContact CB-CE2 4.27Å; N259-F261 HydrophobicContact CB-CZ 3.89Å; F261-F263 HydrophobicContact CB-CE2 3.72Å; F261-F263 HydrophobicContact CB-CZ 4.32Å |
| 262 | A | 88.6 | Confident | 87.5 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 141 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q244 Y260 | Q244-A262 PolarHBondContact NE2-O 2.76Å; Y260-A262 HydrophobicContact CE1-CB 4.06Å |
| 263 | F | 91.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 111.6 | 176.4 | -61.8 | -95.5 | 0 | 0 | 0 | 110.2 | L216 I218 V237 V239 Q244 F261 F265 | L216-F263 HydrophobicContact CB-CB 4.3Å; L216-F263 PolarHBondContact N-O 3.36Å; L216-F263 PolarHBondContact O-N 2.83Å; I218-F263 HydrophobicContact CD1-CD2 4.41Å; I218-F263 HydrophobicContact CD1-CE2 4.2Å; V237-F263 HydrophobicContact CB-CZ 4.26Å; V237-F263 HydrophobicContact CG1-CE2 3.84Å; V237-F263 HydrophobicContact CG1-CZ 3.82Å; V239-F263 HydrophobicContact CB-CD1 4Å; V239-F263 HydrophobicContact CB-CE1 4.19Å; V239-F263 HydrophobicContact CB-CG 4.29Å; V239-F263 HydrophobicContact CG2-CD1 4Å; V239-F263 HydrophobicContact CG2-CD2 3.97Å; V239-F263 HydrophobicContact CG2-CE1 3.93Å; V239-F263 HydrophobicContact CG2-CE2 3.91Å; V239-F263 HydrophobicContact CG2-CG 4.03Å; V239-F263 HydrophobicContact CG2-CZ 3.89Å; Q244-F263 HydrophobicContact CB-CZ 4.1Å; Q244-F263 HydrophobicContact CG-CE1 3.94Å; Q244-F263 HydrophobicContact CG-CZ 3.85Å; F261-F263 HydrophobicContact CB-CE2 3.72Å; F261-F263 HydrophobicContact CB-CZ 4.32Å; F263-F265 HydrophobicContact CB-CE2 3.81Å; F263-F265 HydrophobicContact CB-CZ 4.06Å; F263-F265 WeakPolarHBondContact O-CD2 2.92Å; F263-F265 VanDerWaalsContact O-CE2 3.25Å; F263-F265 WeakPolarHBondContact O-CE2 2.98Å |
| 264 | D | 88.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 45.1 Ų | 45.1 | 60% | 0.604 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 140.2 | -177 | -49.7 | -62.9 | 0 | 0 | 0 | 112.5 | Q215 | Q215-D264 WeakPolarHBondContact CG-OD1 3.24Å; Q215-D264 PolarHBondContact NE2-OD1 2.9Å |
| 265 | F | 86.4 | Confident | 88 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 117.8 | -178.9 | -54.5 | -93.5 | 0 | 0 | 0 | 111.3 | F214 L216 V239 F263 V272 E275 | F214-F265 HydrophobicContact CB-CB 4.39Å; F214-F265 PolarHBondContact N-O 2.91Å; F214-F265 PolarHBondContact O-N 3.13Å; L216-F265 HydrophobicContact CB-CE2 3.99Å; L216-F265 HydrophobicContact CD2-CE2 4.34Å; V239-F265 HydrophobicContact CB-CZ 4.45Å; V239-F265 HydrophobicContact CG1-CZ 3.77Å; F263-F265 HydrophobicContact CB-CE2 3.81Å; F263-F265 HydrophobicContact CB-CZ 4.06Å; F263-F265 WeakPolarHBondContact O-CD2 2.92Å; F263-F265 VanDerWaalsContact O-CE2 3.25Å; F263-F265 WeakPolarHBondContact O-CE2 2.98Å; F265-V272 HydrophobicContact CB-CG1 4.41Å; F265-V272 HydrophobicContact CB-CG2 3.82Å; F265-V272 HydrophobicContact CD2-CG1 4.16Å; F265-V272 HydrophobicContact CG-CG1 4.22Å; F265-V272 HydrophobicContact CG-CG2 4.29Å; F265-E275 HydrophobicContact CE1-CG 4.37Å |
| 266 | A | 84.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 65% | 0.653 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 83.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 267 | R | 84.9 | Confident | 88.3 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 33% | 0.328 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 167.4 | -173.3 | -66.4 | -164.8 | -159.1 | 160.8 | 14 | 112.1 | S211 N212 V272 E275 | S211-R267 WeakPolarHBondContact CA-O 3.44Å; N212-R267 PolarHBondContact N-O 2.95Å; N212-R267 PolarHBondContact O-N 3.45Å; R267-V272 HydrophobicContact CB-CG2 3.87Å; R267-E275 IonicContact CZ-OE1 2.72Å; R267-E275 IonicContact NH1-OE1 2.64Å; R267-E275 PolarHBondContact NH1-OE1 3.4Å; R267-E275 IonicContact NH2-OE1 3.2Å; R267-E275 PolarHBondContact NH2-OE1 3.15Å |
| 268 | P | 83.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.5 | 172.3 | -18.3 | 32.5 | 0 | 0 | 0 | 112.1 | K210 S211 I270 S271 V272 | K210-P268 WeakPolarHBondContact O-CA 2.79Å; S211-P268 WeakPolarHBondContact OG-CD 3.39Å; P268-I270 VanDerWaalsContact C-N 3.31Å; P268-I270 PolarHBondContact O-N 3.05Å; P268-I270 VanDerWaalsContact O-N 3.15Å; P268-S271 WeakPolarHBondContact O-CA 3.29Å; P268-S271 VanDerWaalsContact O-CB 3.29Å; P268-S271 WeakPolarHBondContact O-CB 3.13Å; P268-S271 PolarHBondContact O-N 3.04Å; P268-V272 PolarHBondContact O-N 2.95Å |
| 269 | K | 87.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -46.3 | -47.7 | -175 | -169.6 | 163.6 | -172 | 156.9 | 0 | 114.2 | F214 S271 V272 L273 Y309 E345 | F214-K269 HydrophobicContact CE1-CG 4.19Å; F214-K269 HydrophobicContact CE2-CB 4.3Å; F214-K269 HydrophobicContact CZ-CB 3.73Å; F214-K269 HydrophobicContact CZ-CD 4.14Å; F214-K269 HydrophobicContact CZ-CG 3.7Å; K269-S271 VanDerWaalsContact C-N 3.27Å; K269-S271 PolarHBondContact O-N 2.94Å; K269-V272 PolarHBondContact O-N 2.94Å; K269-L273 HydrophobicContact CG-CD1 3.92Å; K269-L273 HydrophobicContact CG-CG 4.29Å; K269-L273 WeakPolarHBondContact O-CG 3.34Å; K269-L273 PolarHBondContact O-N 3.23Å; K269-Y309 WeakPolarHBondContact CE-OH 2.97Å; K269-Y309 PolarHBondContact NZ-OH 3.03Å; K269-E345 WeakPolarHBondContact CD-OE1 3.3Å; K269-E345 WeakPolarHBondContact CE-OE2 3.47Å; K269-E345 IonicContact NZ-OE1 3.86Å; K269-E345 PolarHBondContact NZ-OE1 3.01Å; K269-E345 IonicContact NZ-OE2 3.67Å; K269-E345 PolarHBondContact NZ-OE2 2.86Å |
| 270 | I | 85.2 | Confident | 89.2 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 30% | 0.303 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.1 | -28.7 | 178.9 | -166.3 | 168.7 | 0 | 0 | 0 | 113.6 | Y209 P268 T274 L479 L527 | Y209-I270 HydrophobicContact CD2-CG2 3.76Å; Y209-I270 HydrophobicContact CE2-CG2 4.08Å; P268-I270 VanDerWaalsContact C-N 3.31Å; P268-I270 PolarHBondContact O-N 3.05Å; P268-I270 VanDerWaalsContact O-N 3.15Å; I270-T274 WeakPolarHBondContact O-CG2 3.36Å; I270-T274 PolarHBondContact O-N 3.01Å; I270-T274 PolarHBondContact O-OG1 2.86Å; I270-L479 HydrophobicContact CD1-CD1 4.08Å; I270-L479 HydrophobicContact CG1-CD1 4.19Å; I270-L527 HydrophobicContact CG2-CD2 3.82Å |
| 271 | S | 86.5 | Confident | 89.5 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73 | -34.4 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | P268 K269 | P268-S271 WeakPolarHBondContact O-CA 3.29Å; P268-S271 VanDerWaalsContact O-CB 3.29Å; P268-S271 WeakPolarHBondContact O-CB 3.13Å; P268-S271 PolarHBondContact O-N 3.04Å; K269-S271 VanDerWaalsContact C-N 3.27Å; K269-S271 PolarHBondContact O-N 2.94Å |
| 272 | V | 88.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -76.1 | -46.3 | -178.3 | 179.5 | 0 | 0 | 0 | 0 | 110 | F214 F265 R267 P268 K269 T274 E275 V305 | F214-V272 HydrophobicContact CB-CG1 4.14Å; F214-V272 HydrophobicContact CD2-CB 4.31Å; F214-V272 HydrophobicContact CD2-CG1 4.39Å; F214-V272 HydrophobicContact CD2-CG2 3.76Å; F214-V272 HydrophobicContact CE2-CG2 4.16Å; F214-V272 HydrophobicContact CG-CG1 4.14Å; F214-V272 HydrophobicContact CG-CG2 4.34Å; F265-V272 HydrophobicContact CB-CG1 4.41Å; F265-V272 HydrophobicContact CB-CG2 3.82Å; F265-V272 HydrophobicContact CD2-CG1 4.16Å; F265-V272 HydrophobicContact CG-CG1 4.22Å; F265-V272 HydrophobicContact CG-CG2 4.29Å; R267-V272 HydrophobicContact CB-CG2 3.87Å; P268-V272 PolarHBondContact O-N 2.95Å; K269-V272 PolarHBondContact O-N 2.94Å; V272-T274 PolarHBondContact O-N 2.97Å; V272-E275 WeakPolarHBondContact O-CB 3.08Å; V272-E275 PolarHBondContact O-N 3.11Å; V272-E275 VanDerWaalsContact O-N 3.12Å; V272-V305 HydrophobicContact CG1-CG1 4.27Å; V272-V305 WeakPolarHBondContact O-CB 3.22Å |
| 273 | L | 89.5 | Confident | 89.7 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -35.9 | 178.1 | -65.3 | 175.5 | 0 | 0 | 0 | 112.6 | K269 Q306 Y309 | K269-L273 HydrophobicContact CG-CD1 3.92Å; K269-L273 HydrophobicContact CG-CG 4.29Å; K269-L273 WeakPolarHBondContact O-CG 3.34Å; K269-L273 PolarHBondContact O-N 3.23Å; L273-Q306 HydrophobicContact CB-CB 4Å; L273-Q306 HydrophobicContact CB-CG 4.35Å; L273-Q306 VanDerWaalsContact O-CB 3.31Å; L273-Q306 WeakPolarHBondContact O-CB 3.27Å; L273-Q306 PolarHBondContact O-N 3.26Å; L273-Y309 VanDerWaalsContact CD2-CB 3.45Å; L273-Y309 HydrophobicContact CD2-CD1 3.75Å; L273-Y309 HydrophobicContact CD2-CD2 4.16Å; L273-Y309 HydrophobicContact CD2-CG 3.5Å; L273-Y309 VanDerWaalsContact CD2-CG 3.5Å |
| 274 | T | 86.1 | Confident | 89.6 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 14% | 0.141 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.7 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 115 | I270 V272 T460 L479 | I270-T274 WeakPolarHBondContact O-CG2 3.36Å; I270-T274 PolarHBondContact O-N 3.01Å; I270-T274 PolarHBondContact O-OG1 2.86Å; V272-T274 PolarHBondContact O-N 2.97Å; T274-T460 HydrophobicContact CG2-CG2 4.26Å; T274-L479 HydrophobicContact CG2-CD1 4.23Å |
| 275 | E | 89.7 | Confident | 89.2 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 142.4 | 170.4 | -76.2 | -79.3 | -155.1 | 0 | 0 | 111.5 | V239 G240 F265 R267 V272 D304 V305 | V239-E275 HydrophobicContact CG1-CB 4.36Å; G240-E275 WeakPolarHBondContact CA-OE2 3.45Å; F265-E275 HydrophobicContact CE1-CG 4.37Å; R267-E275 IonicContact CZ-OE1 2.72Å; R267-E275 IonicContact NH1-OE1 2.64Å; R267-E275 PolarHBondContact NH1-OE1 3.4Å; R267-E275 IonicContact NH2-OE1 3.2Å; R267-E275 PolarHBondContact NH2-OE1 3.15Å; V272-E275 WeakPolarHBondContact O-CB 3.08Å; V272-E275 PolarHBondContact O-N 3.11Å; V272-E275 VanDerWaalsContact O-N 3.12Å; E275-D304 WeakPolarHBondContact O-CA 3.3Å; E275-V305 HydrophobicContact CB-CG2 4.11Å; E275-V305 PolarHBondContact O-N 3.22Å; E275-V305 VanDerWaalsContact O-N 3.11Å |
| 276 | I | 91.1 | Very high | 88.5 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.4 | -179.2 | -57.8 | -58.8 | 0 | 0 | 0 | 110.3 | V239 G240 R278 I302 D304 T458 | V239-I276 WeakPolarHBondContact CA-O 2.75Å; G240-I276 PolarHBondContact N-O 2.85Å; I276-R278 HydrophobicContact CG2-CG 3.94Å; I276-I302 HydrophobicContact CG2-CG2 3.69Å; I276-D304 HydrophobicContact CD1-CB 4.14Å; I276-T458 HydrophobicContact CD1-CG2 3.84Å |
| 277 | I | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.8 | 168.4 | -55.9 | 169.5 | 0 | 0 | 0 | 107.8 | L216 I218 N238 V239 I279 I302 T303 V305 V308 | L216-I277 HydrophobicContact CD1-CD1 4.15Å; L216-I277 HydrophobicContact CD2-CD1 3.94Å; L216-I277 HydrophobicContact CD2-CG1 4.1Å; I218-I277 HydrophobicContact CD1-CD1 4.21Å; I218-I277 HydrophobicContact CD1-CG1 4.4Å; I218-I277 HydrophobicContact CD1-CG2 3.71Å; N238-I277 CarbonylContact O-C 3.57Å; N238-I277 WeakPolarHBondContact O-CA 3.42Å; V239-I277 HydrophobicContact CG1-CG1 4.12Å; V239-I277 HydrophobicContact CG2-CG1 4.14Å; V239-I277 HydrophobicContact CG2-CG2 4.37Å; I277-I279 HydrophobicContact CG2-CG1 4.42Å; I277-I302 WeakPolarHBondContact O-CA 3.28Å; I277-T303 HydrophobicContact CB-CG2 3.78Å; I277-T303 HydrophobicContact CD1-CG2 4.11Å; I277-T303 HydrophobicContact CG1-CG2 4.45Å; I277-T303 HydrophobicContact CG2-CG2 4.16Å; I277-T303 PolarHBondContact N-O 3.09Å; I277-T303 PolarHBondContact O-N 2.74Å; I277-V305 HydrophobicContact CD1-CG2 4.04Å; I277-V305 HydrophobicContact CG1-CG2 4.01Å; I277-V308 HydrophobicContact CD1-CG2 3.91Å |
| 278 | R | 93.8 | Very high | 87 | Confident | 56 Ų | 56 | 42 Ų | 42 | 21% | 0.211 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.8 | 168.9 | -52.5 | -164.5 | -161.4 | -136.4 | -1.2 | 111.2 | V237 N238 I276 F301 I302 G428 | V237-R278 WeakPolarHBondContact CA-O 3.12Å; N238-R278 HydrophobicContact CB-CB 4.45Å; N238-R278 PolarHBondContact N-O 3.17Å; N238-R278 PolarHBondContact O-N 2.95Å; I276-R278 HydrophobicContact CG2-CG 3.94Å; R278-F301 WeakPolarHBondContact CA-O 3.39Å; R278-I302 HydrophobicContact CG-CG1 4.08Å; R278-I302 HydrophobicContact CG-CG2 4.4Å; R278-G428 PolarHBondContact NH1-O 2.78Å; R278-G428 PolarHBondContact NH2-O 2.78Å |
| 279 | I | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.6 | 174.1 | -53.2 | -173.1 | 0 | 0 | 0 | 107.3 | I235 T236 V237 I277 E300 F301 V337 V339 | I235-I279 HydrophobicContact CG2-CG2 3.63Å; T236-I279 WeakPolarHBondContact O-CA 3.39Å; V237-I279 HydrophobicContact CG2-CG1 4.4Å; I277-I279 HydrophobicContact CG2-CG1 4.42Å; I279-E300 CarbonylContact O-C 3.57Å; I279-E300 WeakPolarHBondContact O-CA 3.43Å; I279-F301 PolarHBondContact N-O 2.83Å; I279-F301 PolarHBondContact O-N 2.93Å; I279-V337 HydrophobicContact CG2-CG1 4.46Å; I279-V339 HydrophobicContact CD1-CG1 3.79Å |
| 280 | R | 95.1 | Very high | 85 | Confident | 70 Ų | 70 | 45.9 Ų | 45.9 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.1 | -175.5 | -65.9 | -167.7 | -102.5 | -143.4 | 3 | 111.2 | I235 T236 F282 L297 E300 | I235-R280 CarbonylContact C-O 3.44Å; I235-R280 WeakPolarHBondContact CA-O 2.84Å; T236-R280 PolarHBondContact N-O 2.82Å; T236-R280 PolarHBondContact O-N 3.42Å; R280-F282 HydrophobicContact CB-CD2 4.27Å; R280-F282 HydrophobicContact CB-CE2 3.59Å; R280-F282 HydrophobicContact CB-CZ 4.15Å; R280-L297 HydrophobicContact CB-CD1 3.99Å; R280-L297 HydrophobicContact CG-CD1 4.3Å; R280-E300 HydrophobicContact CB-CB 4.49Å; R280-E300 VanDerWaalsContact CD-OE2 3.29Å; R280-E300 WeakPolarHBondContact CD-OE2 3.41Å; R280-E300 HydrophobicContact CG-CB 3.67Å; R280-E300 IonicContact NH1-OE2 2.68Å |
| 281 | V | 95.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.4 | 176 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L226 P233 I235 V298 G299 I323 V337 | L226-V281 HydrophobicContact CD1-CG1 4.11Å; L226-V281 HydrophobicContact CD2-CG1 4.1Å; P233-V281 HydrophobicContact CB-CG1 4.31Å; I235-V281 HydrophobicContact CD1-CG2 3.95Å; I235-V281 HydrophobicContact CG1-CG1 4.38Å; I235-V281 HydrophobicContact CG1-CG2 3.93Å; I235-V281 HydrophobicContact CG2-CG2 4.44Å; V281-V298 HydrophobicContact CB-CB 4.39Å; V281-V298 HydrophobicContact CG1-CB 4.36Å; V281-V298 HydrophobicContact CG1-CG2 4.44Å; V281-V298 PolarHBondContact O-N 2.78Å; V281-G299 PolarHBondContact N-O 2.91Å; V281-I323 HydrophobicContact CB-CD1 3.96Å; V281-I323 HydrophobicContact CG2-CD1 3.63Å; V281-V337 HydrophobicContact CG2-CG2 3.74Å |
| 282 | F | 93.6 | Very high | 83.2 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135 | 178.1 | -66 | -89.6 | 0 | 0 | 0 | 110.7 | P233 M234 T236 R280 M284 K296 L297 | P233-F282 WeakPolarHBondContact CA-O 3.22Å; M234-F282 HydrophobicContact CE-CB 4.2Å; M234-F282 HydrophobicContact CE-CD2 4.14Å; M234-F282 HydrophobicContact CE-CG 4.44Å; M234-F282 PolarHBondContact N-O 2.85Å; M234-F282 PolarHBondContact O-N 3.42Å; T236-F282 HydrophobicContact CG2-CD2 3.94Å; T236-F282 HydrophobicContact CG2-CE2 3.9Å; R280-F282 HydrophobicContact CB-CD2 4.27Å; R280-F282 HydrophobicContact CB-CE2 3.59Å; R280-F282 HydrophobicContact CB-CZ 4.15Å; F282-M284 HydrophobicContact CB-SD 4.27Å; F282-K296 WeakPolarHBondContact CA-O 3.27Å; F282-L297 HydrophobicContact CD1-CB 4.27Å; F282-L297 HydrophobicContact CD1-CD1 4.34Å; F282-L297 HydrophobicContact CE1-CB 4.14Å; F282-L297 HydrophobicContact CE1-CD1 3.98Å; F282-L297 HydrophobicContact CE2-CD1 4.48Å; F282-L297 HydrophobicContact CZ-CD1 4.06Å |
| 283 | N | 92.2 | Very high | 82.5 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.8 | 163.2 | 179.9 | 10.5 | 0 | 0 | 0 | 108.8 | I231 N232 G295 K296 V298 | I231-N283 HydrophobicContact CB-CB 4.29Å; I231-N283 WeakPolarHBondContact CG2-ND2 3.09Å; N232-N283 PolarHBondContact N-OD1 3.5Å; N283-G295 CarbonylContact O-C 3.5Å; N283-G295 WeakPolarHBondContact O-CA 3.35Å; N283-K296 PolarHBondContact N-O 2.91Å; N283-K296 PolarHBondContact O-N 3.39Å; N283-V298 HydrophobicContact CB-CG2 3.95Å |
| 284 | M | 88.2 | Confident | 81.4 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | trans | -86.1 | 151.5 | -178.6 | -63.8 | -60.1 | -74.3 | 0 | 0 | 111.9 | N232 M234 T248 F282 R291 | N232-M284 HydrophobicContact CB-CB 4.37Å; N232-M284 WeakPolarHBondContact CB-O 3Å; N232-M284 PolarHBondContact ND2-O 3.06Å; N232-M284 PolarHBondContact O-N 3.01Å; M234-M284 HydrophobicContact CB-CG 3.78Å; M234-M284 HydrophobicContact CE-CE 4.35Å; M234-M284 HydrophobicContact CE-CG 4.33Å; M234-M284 HydrophobicContact CE-SD 3.7Å; M234-M284 HydrophobicContact SD-CE 4.37Å; M234-M284 HydrophobicContact SD-CG 4.33Å; M234-M284 HydrophobicContact SD-SD 4.23Å; T248-M284 HydrophobicContact CG2-CB 3.91Å; T248-M284 HydrophobicContact CG2-CG 4.1Å; F282-M284 HydrophobicContact CB-SD 4.27Å; M284-R291 HydrophobicContact CE-CB 4.1Å | ||
| 285 | R | 81.9 | Confident | 81.2 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | trans | -74.3 | 142 | 177.7 | -63.1 | -176.8 | -171.7 | 75.3 | 6.2 | 110.4 | A290 R291 L293 P294 | R285-A290 HydrophobicContact CB-CB 3.87Å; R285-A290 WeakPolarHBondContact CD-O 3.16Å; R285-A290 HydrophobicContact CG-CB 4.45Å; R285-A290 PolarHBondContact NH1-O 2.83Å; R285-R291 WeakPolarHBondContact O-CG 3.07Å; R285-R291 PolarHBondContact O-NE 3Å; R285-L293 PolarHBondContact NH1-O 2.82Å; R285-P294 PolarHBondContact NH1-O 3.34Å; R285-P294 PolarHBondContact NH2-O 3.41Å | ||
| 286 | S | 71.8 | Confident | 81.1 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -60.5 | -48.2 | -178.8 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | R291 | S286-R291 PolarHBondContact O-NE 3.26Å; S286-R291 PolarHBondContact O-NH2 2.76Å |
| 287 | H | 72.7 | Confident | 81.1 | Confident | 113 Ų | 113 | 66 Ų | 66 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -68.8 | 128.6 | -176.2 | -170.6 | -94.9 | 0 | 0 | 0 | 112.8 | L289 A290 R291 | H287-L289 PolarHBondContact O-N 3.31Å; H287-A290 HydrophobicContact CB-CB 4.14Å; H287-A290 WeakPolarHBondContact O-CA 3.22Å; H287-A290 WeakPolarHBondContact O-CB 3.19Å; H287-A290 PolarHBondContact O-N 3.3Å; H287-R291 PolarHBondContact O-N 2.99Å |
| 288 | P | 64.8 | Low | 80.9 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -52.2 | -51.4 | -173 | -30.2 | 36.1 | 0 | 0 | 0 | 115.2 | A290 R291 | P288-A290 PolarHBondContact O-N 3.43Å; P288-A290 VanDerWaalsContact O-N 3.16Å; P288-R291 VanDerWaalsContact O-CB 3.31Å; P288-R291 WeakPolarHBondContact O-CB 3.44Å; P288-R291 PolarHBondContact O-N 3.11Å |
| 289 | L | 69.1 | Low | 80.8 | Confident | 128 Ų | 128 | 64 Ų | 64 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -60.9 | -27.2 | 178.4 | -66.2 | 176.5 | 0 | 0 | 0 | 112.9 | H287 R291 L292 | H287-L289 PolarHBondContact O-N 3.31Å; L289-R291 VanDerWaalsContact C-N 3.27Å; L289-R291 PolarHBondContact O-N 3.47Å; L289-L292 PolarHBondContact O-N 2.96Å |
| 290 | A | 61.1 | Low | 80.7 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -81.3 | -5.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R285 H287 P288 | R285-A290 HydrophobicContact CB-CB 3.87Å; R285-A290 WeakPolarHBondContact CD-O 3.16Å; R285-A290 HydrophobicContact CG-CB 4.45Å; R285-A290 PolarHBondContact NH1-O 2.83Å; H287-A290 HydrophobicContact CB-CB 4.14Å; H287-A290 WeakPolarHBondContact O-CA 3.22Å; H287-A290 WeakPolarHBondContact O-CB 3.19Å; H287-A290 PolarHBondContact O-N 3.3Å; P288-A290 PolarHBondContact O-N 3.43Å; P288-A290 VanDerWaalsContact O-N 3.16Å |
| 291 | R | 65.1 | Low | 80.5 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -81 | -15.1 | 172.4 | -57.6 | 173.9 | -164.9 | 168.9 | 0.9 | 113 | Y250 M284 R285 S286 H287 P288 L289 L293 | Y250-R291 PolarHBondContact OH-NH1 3.12Å; M284-R291 HydrophobicContact CE-CB 4.1Å; R285-R291 WeakPolarHBondContact O-CG 3.07Å; R285-R291 PolarHBondContact O-NE 3Å; S286-R291 PolarHBondContact O-NE 3.26Å; S286-R291 PolarHBondContact O-NH2 2.76Å; H287-R291 PolarHBondContact O-N 2.99Å; P288-R291 VanDerWaalsContact O-CB 3.31Å; P288-R291 WeakPolarHBondContact O-CB 3.44Å; P288-R291 PolarHBondContact O-N 3.11Å; L289-R291 VanDerWaalsContact C-N 3.27Å; L289-R291 PolarHBondContact O-N 3.47Å; R291-L293 PolarHBondContact O-N 2.68Å |
| 292 | L | 68.9 | Low | 80.4 | Confident | 150 Ų | 150 | 63.6 Ų | 63.6 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -67.6 | -26.2 | 170.8 | -63.5 | 173.2 | 0 | 0 | 0 | 111.9 | L289 | L289-L292 PolarHBondContact O-N 2.96Š|
| 293 | L | 73.8 | Confident | 80.3 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 56% | 0.555 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -83.6 | 145.2 | 172.2 | -65.8 | 174.8 | 0 | 0 | 0 | 110.6 | R285 R291 G295 | R285-L293 PolarHBondContact NH1-O 2.82Å; R291-L293 PolarHBondContact O-N 2.68Å; L293-G295 PolarHBondContact O-N 2.87Å |
| 294 | P | 66.5 | Low | 80.2 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 68% | 0.682 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 132.2 | 176.1 | -27.7 | 34.9 | 0 | 0 | 0 | 112.9 | R285 | R285-P294 PolarHBondContact NH1-O 3.34Å; R285-P294 PolarHBondContact NH2-O 3.41Å |
| 295 | G | 81 | Confident | 80.4 | Confident | 12 Ų | 12 | 59 Ų | 59 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 167.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N283 L293 L297 | N283-G295 CarbonylContact O-C 3.5Å; N283-G295 WeakPolarHBondContact O-CA 3.35Å; L293-G295 PolarHBondContact O-N 2.87Å; G295-L297 PolarHBondContact O-N 2.74Å |
| 296 | K | 88.3 | Confident | 80.8 | Confident | 140 Ų | 140 | 55.1 Ų | 55.1 | 61% | 0.609 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.1 | 173.4 | -174.9 | -174 | 176.7 | -172.1 | 0 | 108.2 | F282 N283 V298 | F282-K296 WeakPolarHBondContact CA-O 3.27Å; N283-K296 PolarHBondContact N-O 2.91Å; N283-K296 PolarHBondContact O-N 3.39Å; K296-V298 PolarHBondContact O-N 2.93Å |
| 297 | L | 90.8 | Very high | 81.5 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 128.9 | 169.8 | -174.7 | 70.4 | 0 | 0 | 0 | 109.3 | R280 F282 G295 P326 R327 | R280-L297 HydrophobicContact CB-CD1 3.99Å; R280-L297 HydrophobicContact CG-CD1 4.3Å; F282-L297 HydrophobicContact CD1-CB 4.27Å; F282-L297 HydrophobicContact CD1-CD1 4.34Å; F282-L297 HydrophobicContact CE1-CB 4.14Å; F282-L297 HydrophobicContact CE1-CD1 3.98Å; F282-L297 HydrophobicContact CE2-CD1 4.48Å; F282-L297 HydrophobicContact CZ-CD1 4.06Å; G295-L297 PolarHBondContact O-N 2.74Å; L297-P326 HydrophobicContact CD2-CG 3.93Å; L297-R327 PolarHBondContact O-NH2 3.24Å |
| 298 | V | 89.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -52.3 | 172 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | V281 N283 K296 T334 | V281-V298 HydrophobicContact CB-CB 4.39Å; V281-V298 HydrophobicContact CG1-CB 4.36Å; V281-V298 HydrophobicContact CG1-CG2 4.44Å; V281-V298 PolarHBondContact O-N 2.78Å; N283-V298 HydrophobicContact CB-CG2 3.95Å; K296-V298 PolarHBondContact O-N 2.93Å; V298-T334 PolarHBondContact O-OG1 3.19Å |
| 299 | G | 91.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 170.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V281 I324 | V281-G299 PolarHBondContact N-O 2.91Å; G299-I324 CarbonylContact C-O 3.59Å; G299-I324 WeakPolarHBondContact CA-O 3.49Å |
| 300 | E | 92.6 | Very high | 84 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 158.6 | 175.2 | 73.3 | -178.9 | 169.5 | 0 | 0 | 114 | I279 R280 I323 I324 P326 | I279-E300 CarbonylContact O-C 3.57Å; I279-E300 WeakPolarHBondContact O-CA 3.43Å; R280-E300 HydrophobicContact CB-CB 4.49Å; R280-E300 VanDerWaalsContact CD-OE2 3.29Å; R280-E300 WeakPolarHBondContact CD-OE2 3.41Å; R280-E300 HydrophobicContact CG-CB 3.67Å; R280-E300 IonicContact NH1-OE2 2.68Å; E300-I323 WeakPolarHBondContact O-CA 3.16Å; E300-I324 PolarHBondContact N-O 2.8Å; E300-I324 PolarHBondContact O-N 2.99Å; E300-I324 VanDerWaalsContact O-N 3.11Å; E300-P326 HydrophobicContact CG-CG 4.24Å |
| 301 | F | 92.5 | Very high | 85 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.044 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.3 | 169.6 | 176.5 | -94.7 | 0 | 0 | 0 | 109 | R278 I279 T303 A321 V322 I323 L369 F457 | R278-F301 WeakPolarHBondContact CA-O 3.39Å; I279-F301 PolarHBondContact N-O 2.83Å; I279-F301 PolarHBondContact O-N 2.93Å; F301-T303 HydrophobicContact CE1-CG2 3.85Å; F301-A321 HydrophobicContact CB-CB 4.1Å; F301-A321 HydrophobicContact CD1-CB 3.76Å; F301-A321 HydrophobicContact CD2-CB 3.91Å; F301-A321 HydrophobicContact CE1-CB 4.16Å; F301-A321 HydrophobicContact CE2-CB 4.28Å; F301-A321 HydrophobicContact CG-CB 3.64Å; F301-A321 HydrophobicContact CZ-CB 4.42Å; F301-V322 WeakPolarHBondContact CD2-O 2.82Å; F301-I323 HydrophobicContact CB-CG2 4.08Å; F301-L369 HydrophobicContact CE1-CD2 3.81Å; F301-L369 HydrophobicContact CE2-CD2 4.4Å; F301-L369 HydrophobicContact CZ-CD2 3.47Å; F301-L369 VanDerWaalsContact CZ-CD2 3.47Å; F301-L369 HydrophobicContact CZ-CG 4.05Å; F301-F457 HydrophobicContact CE2-CD1 4.27Å; F301-F457 AromaticContact CE2-CD2 3.61Å; F301-F457 HydrophobicContact CE2-CD2 3.61Å; F301-F457 HydrophobicContact CE2-CE1 4.22Å; F301-F457 AromaticContact CE2-CE2 3.56Å; F301-F457 HydrophobicContact CE2-CE2 3.56Å; F301-F457 AromaticContact CE2-CG 3.98Å; F301-F457 HydrophobicContact CE2-CG 3.98Å; F301-F457 AromaticContact CE2-CZ 3.88Å; F301-F457 HydrophobicContact CE2-CZ 3.88Å; F301-F457 HydrophobicContact CZ-CB 4.33Å; F301-F457 AromaticContact CZ-CD1 3.96Å; F301-F457 HydrophobicContact CZ-CD1 3.96Å; F301-F457 AromaticContact CZ-CD2 3.96Å; F301-F457 HydrophobicContact CZ-CD2 3.96Å; F301-F457 HydrophobicContact CZ-CE1 4.21Å; F301-F457 HydrophobicContact CZ-CE2 4.21Å; F301-F457 AromaticContact CZ-CG 3.83Å; F301-F457 HydrophobicContact CZ-CG 3.83Å; F301-F457 HydrophobicContact CZ-CZ 4.34Å |
| 302 | I | 91.9 | Very high | 85.6 | Confident | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.7 | -174.4 | -57.7 | -177.6 | 0 | 0 | 0 | 108.5 | I276 I277 R278 F457 T458 | I276-I302 HydrophobicContact CG2-CG2 3.69Å; I277-I302 WeakPolarHBondContact O-CA 3.28Å; R278-I302 HydrophobicContact CG-CG1 4.08Å; R278-I302 HydrophobicContact CG-CG2 4.4Å; I302-F457 VanDerWaalsContact O-CB 3.24Å; I302-F457 WeakPolarHBondContact O-CB 3.2Å; I302-T458 HydrophobicContact CG2-CG2 4.42Å |
| 303 | T | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 170.1 | 172.3 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | I277 F301 F457 | I277-T303 HydrophobicContact CB-CG2 3.78Å; I277-T303 HydrophobicContact CD1-CG2 4.11Å; I277-T303 HydrophobicContact CG1-CG2 4.45Å; I277-T303 HydrophobicContact CG2-CG2 4.16Å; I277-T303 PolarHBondContact N-O 3.09Å; I277-T303 PolarHBondContact O-N 2.74Å; F301-T303 HydrophobicContact CE1-CG2 3.85Å; T303-F457 WeakPolarHBondContact CA-O 3.28Å; T303-F457 PolarHBondContact OG1-O 2.83Å; T303-F457 VanDerWaalsContact OG1-O 3.05Å |
| 304 | D | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 161 | 166.4 | 60.1 | 19.1 | 0 | 0 | 0 | 113.3 | E275 I276 Q306 T307 F457 T458 R459 | E275-D304 WeakPolarHBondContact O-CA 3.3Å; I276-D304 HydrophobicContact CD1-CB 4.14Å; D304-Q306 PolarHBondContact O-N 2.76Å; D304-T307 PolarHBondContact O-N 3.32Å; D304-T307 WeakPolarHBondContact OD1-CB 3.09Å; D304-T307 PolarHBondContact OD1-N 3.07Å; D304-T307 PolarHBondContact OD1-OG1 3.36Å; D304-F457 PolarHBondContact N-O 2.97Å; D304-F457 VanDerWaalsContact N-O 3.16Å; D304-T458 HydrophobicContact CB-CG2 4.32Å; D304-T458 VanDerWaalsContact OD2-CA 3.23Å; D304-T458 WeakPolarHBondContact OD2-CA 3.5Å; D304-R459 PolarHBondContact OD2-N 2.88Å |
| 305 | V | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -31.4 | 174.4 | -178 | 0 | 0 | 0 | 0 | 110.7 | L216 V239 V272 E275 I277 T307 V308 Y309 V343 | L216-V305 HydrophobicContact CD2-CG2 3.98Å; V239-V305 HydrophobicContact CG1-CG2 4.4Å; V272-V305 HydrophobicContact CG1-CG1 4.27Å; V272-V305 WeakPolarHBondContact O-CB 3.22Å; E275-V305 HydrophobicContact CB-CG2 4.11Å; E275-V305 PolarHBondContact O-N 3.22Å; E275-V305 VanDerWaalsContact O-N 3.11Å; I277-V305 HydrophobicContact CD1-CG2 4.04Å; I277-V305 HydrophobicContact CG1-CG2 4.01Å; V305-T307 PolarHBondContact O-N 2.86Å; V305-V308 PolarHBondContact O-N 3.32Å; V305-V308 VanDerWaalsContact O-N 3.13Å; V305-Y309 WeakPolarHBondContact O-CB 3.36Å; V305-Y309 PolarHBondContact O-N 2.83Å; V305-V343 HydrophobicContact CG1-CG2 3.73Å |
| 306 | Q | 89.1 | Confident | 88 | Confident | 26 Ų | 26 | 34.7 Ų | 34.7 | 12% | 0.121 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57 | -32.7 | 173.7 | -167.9 | 174.7 | -22 | 0 | 0 | 112.3 | L273 D304 N310 T460 D481 | L273-Q306 HydrophobicContact CB-CB 4Å; L273-Q306 HydrophobicContact CB-CG 4.35Å; L273-Q306 VanDerWaalsContact O-CB 3.31Å; L273-Q306 WeakPolarHBondContact O-CB 3.27Å; L273-Q306 PolarHBondContact O-N 3.26Å; D304-Q306 PolarHBondContact O-N 2.76Å; Q306-N310 WeakPolarHBondContact CG-ND2 2.98Å; Q306-N310 WeakPolarHBondContact O-CB 3.41Å; Q306-N310 PolarHBondContact O-N 3.34Å; Q306-N310 VanDerWaalsContact O-N 3.12Å; Q306-N310 PolarHBondContact O-ND2 3.34Å; Q306-T460 VanDerWaalsContact OE1-CG2 3.32Å; Q306-D481 PolarHBondContact NE2-OD2 3.46Å |
| 307 | T | 86.6 | Confident | 87.9 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.6 | -35.9 | 176.7 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | D304 V305 F457 R459 | D304-T307 PolarHBondContact O-N 3.32Å; D304-T307 WeakPolarHBondContact OD1-CB 3.09Å; D304-T307 PolarHBondContact OD1-N 3.07Å; D304-T307 PolarHBondContact OD1-OG1 3.36Å; V305-T307 PolarHBondContact O-N 2.86Å; T307-F457 PolarHBondContact OG1-O 2.95Å; T307-R459 PolarHBondContact OG1-NE 2.81Å |
| 308 | V | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68 | -47 | 172.3 | -169.9 | 0 | 0 | 0 | 0 | 111 | I277 V305 N310 E311 H314 I316 M341 V343 | I277-V308 HydrophobicContact CD1-CG2 3.91Å; V305-V308 PolarHBondContact O-N 3.32Å; V305-V308 VanDerWaalsContact O-N 3.13Å; V308-N310 VanDerWaalsContact C-N 3.32Å; V308-N310 PolarHBondContact O-N 2.77Å; V308-E311 PolarHBondContact O-N 2.83Å; V308-H314 CarbonylContact O-C 3.58Å; V308-I316 HydrophobicContact CB-CD1 4.38Å; V308-I316 HydrophobicContact CG1-CG1 4.33Å; V308-I316 HydrophobicContact CG2-CD1 4.21Å; V308-M341 HydrophobicContact CG1-CB 3.9Å; V308-M341 HydrophobicContact CG2-CB 4.16Å; V308-M341 HydrophobicContact CG2-CE 4.32Å; V308-M341 HydrophobicContact CG2-SD 4.27Å; V308-V343 HydrophobicContact CB-CG2 4.04Å; V308-V343 HydrophobicContact CG1-CG2 3.94Å |
| 309 | Y | 88.3 | Confident | 87.5 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -30.5 | -177.4 | -172.2 | -90.9 | 0 | 0 | 0 | 113.5 | K269 L273 V305 H314 V343 E345 | K269-Y309 WeakPolarHBondContact CE-OH 2.97Å; K269-Y309 PolarHBondContact NZ-OH 3.03Å; L273-Y309 VanDerWaalsContact CD2-CB 3.45Å; L273-Y309 HydrophobicContact CD2-CD1 3.75Å; L273-Y309 HydrophobicContact CD2-CD2 4.16Å; L273-Y309 HydrophobicContact CD2-CG 3.5Å; L273-Y309 VanDerWaalsContact CD2-CG 3.5Å; V305-Y309 WeakPolarHBondContact O-CB 3.36Å; V305-Y309 PolarHBondContact O-N 2.83Å; Y309-H314 HydrophobicContact CD2-CB 4.29Å; Y309-H314 AromaticContact CD2-CG 3.94Å; Y309-H314 AromaticContact CD2-ND1 3.77Å; Y309-H314 AromaticContact CE1-CE1 3.67Å; Y309-H314 AromaticContact CE1-ND1 3.92Å; Y309-H314 AromaticContact CE2-CD2 3.94Å; Y309-H314 AromaticContact CE2-CE1 3.65Å; Y309-H314 AromaticContact CE2-CG 3.86Å; Y309-H314 AromaticContact CE2-ND1 3.67Å; Y309-H314 AromaticContact CE2-NE2 3.83Å; Y309-H314 AromaticContact CG-ND1 3.93Å; Y309-H314 AromaticContact CZ-CE1 3.33Å; Y309-H314 AromaticContact CZ-ND1 3.72Å; Y309-H314 AromaticContact CZ-NE2 3.72Å; Y309-H314 PolarHBondContact O-ND1 2.75Å; Y309-H314 PolarHBondContact OH-CE1 3.39Å; Y309-V343 HydrophobicContact CD2-CB 4.05Å; Y309-V343 HydrophobicContact CD2-CG1 3.85Å; Y309-E345 PolarHBondContact OH-OE2 2.9Å |
| 310 | N | 82 | Confident | 87.5 | Confident | 79 Ų | 79 | 32.6 Ų | 32.6 | 42% | 0.422 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 8.4 | 179.1 | -71.6 | -69.9 | 0 | 0 | 0 | 114.1 | Q306 V308 R459 | Q306-N310 WeakPolarHBondContact CG-ND2 2.98Å; Q306-N310 WeakPolarHBondContact O-CB 3.41Å; Q306-N310 PolarHBondContact O-N 3.34Å; Q306-N310 VanDerWaalsContact O-N 3.12Å; Q306-N310 PolarHBondContact O-ND2 3.34Å; V308-N310 VanDerWaalsContact C-N 3.32Å; V308-N310 PolarHBondContact O-N 2.77Å; N310-R459 VanDerWaalsContact CB-CZ 3.5Å |
| 311 | E | 83 | Confident | 87.5 | Confident | 38 Ų | 38 | 31.3 Ų | 31.3 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -86.5 | 164.1 | 160.8 | -76.3 | -68.5 | 144.1 | 0 | 0 | 110.2 | V308 D313 H314 I316 R372 | V308-E311 PolarHBondContact O-N 2.83Å; E311-D313 PolarHBondContact O-N 3.28Å; E311-H314 WeakPolarHBondContact O-CA 3.11Å; E311-H314 PolarHBondContact O-N 2.77Å; E311-I316 HydrophobicContact CB-CG1 3.96Å; E311-I316 HydrophobicContact CG-CD1 4Å; E311-I316 HydrophobicContact CG-CG1 3.87Å; E311-R372 VanDerWaalsContact OE1-CD 3.27Å; E311-R372 WeakPolarHBondContact OE1-CD 3.15Å; E311-R372 IonicContact OE1-NH1 2.72Å; E311-R372 IonicContact OE2-CZ 3.47Å; E311-R372 IonicContact OE2-NH1 2.68Å; E311-R372 PolarHBondContact OE2-NH1 3.36Å |
| 312 | K | 76.5 | Confident | 87.4 | Confident | 160 Ų | 160 | 32.4 Ų | 32.4 | 70% | 0.696 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -57 | 133.2 | -173.7 | -177.4 | 177.4 | 176.6 | 178.9 | 0 | 111.4 | H314 A315 | K312-H314 PolarHBondContact O-N 2.97Å; K312-A315 PolarHBondContact O-N 3.46Å |
| 313 | D | 77.2 | Confident | 87.4 | Confident | 82 Ų | 82 | 31.2 Ų | 31.2 | 44% | 0.439 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | 56.6 | 27.5 | -178.8 | -58.8 | -41.8 | 0 | 0 | 0 | 113.4 | E311 A315 K351 | E311-D313 PolarHBondContact O-N 3.28Å; D313-A315 PolarHBondContact O-N 3.29Å; D313-K351 HydrophobicContact CB-CD 4.2Å; D313-K351 IonicContact OD1-NZ 2.65Å; D313-K351 PolarHBondContact OD1-NZ 2.86Å; D313-K351 WeakPolarHBondContact OD2-CD 3.43Å; D313-K351 IonicContact OD2-NZ 3.83Å; D313-K351 PolarHBondContact OD2-NZ 2.96Å |
| 314 | H | 89.1 | Confident | 87 | Confident | 44 Ų | 44 | 32.4 Ų | 32.4 | 20% | 0.204 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | 58 | 27.9 | -179.8 | -49.4 | -46.5 | 0 | 0 | 0 | 114.5 | V308 Y309 E311 K312 H342 V343 H348 | V308-H314 CarbonylContact O-C 3.58Å; Y309-H314 HydrophobicContact CD2-CB 4.29Å; Y309-H314 AromaticContact CD2-CG 3.94Å; Y309-H314 AromaticContact CD2-ND1 3.77Å; Y309-H314 AromaticContact CE1-CE1 3.67Å; Y309-H314 AromaticContact CE1-ND1 3.92Å; Y309-H314 AromaticContact CE2-CD2 3.94Å; Y309-H314 AromaticContact CE2-CE1 3.65Å; Y309-H314 AromaticContact CE2-CG 3.86Å; Y309-H314 AromaticContact CE2-ND1 3.67Å; Y309-H314 AromaticContact CE2-NE2 3.83Å; Y309-H314 AromaticContact CG-ND1 3.93Å; Y309-H314 AromaticContact CZ-CE1 3.33Å; Y309-H314 AromaticContact CZ-ND1 3.72Å; Y309-H314 AromaticContact CZ-NE2 3.72Å; Y309-H314 PolarHBondContact O-ND1 2.75Å; Y309-H314 PolarHBondContact OH-CE1 3.39Å; E311-H314 WeakPolarHBondContact O-CA 3.11Å; E311-H314 PolarHBondContact O-N 2.77Å; K312-H314 PolarHBondContact O-N 2.97Å; H314-H342 WeakPolarHBondContact O-CA 3.47Å; H314-V343 WeakPolarHBondContact CB-O 3.34Å; H314-V343 PolarHBondContact O-N 3.31Å; H314-H348 AromaticContact NE2-CD2 3.79Å |
| 315 | A | 87.4 | Confident | 86.8 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K312 D313 L317 M341 H342 | K312-A315 PolarHBondContact O-N 3.46Å; D313-A315 PolarHBondContact O-N 3.29Å; A315-L317 HydrophobicContact CB-CD2 4.1Å; A315-L317 HydrophobicContact CB-CG 4.21Å; A315-M341 CarbonylContact C-O 3.58Å; A315-M341 WeakPolarHBondContact CA-O 3.48Å; A315-H342 HydrophobicContact CB-CB 3.91Å |
| 316 | I | 87.2 | Confident | 86 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 114.4 | 176.7 | -62.4 | -174.2 | 0 | 0 | 0 | 106.9 | V308 E311 K319 D340 M341 L369 | V308-I316 HydrophobicContact CB-CD1 4.38Å; V308-I316 HydrophobicContact CG1-CG1 4.33Å; V308-I316 HydrophobicContact CG2-CD1 4.21Å; E311-I316 HydrophobicContact CB-CG1 3.96Å; E311-I316 HydrophobicContact CG-CD1 4Å; E311-I316 HydrophobicContact CG-CG1 3.87Å; I316-K319 HydrophobicContact CG2-CB 4.16Å; I316-K319 HydrophobicContact CG2-CG 3.94Å; I316-D340 CarbonylContact O-C 3.45Å; I316-D340 WeakPolarHBondContact O-CA 3.37Å; I316-M341 HydrophobicContact CB-CB 4.44Å; I316-M341 HydrophobicContact CB-CE 4.31Å; I316-M341 HydrophobicContact CD1-CE 4.19Å; I316-M341 HydrophobicContact CG2-CE 4.13Å; I316-M341 PolarHBondContact N-O 3.2Å; I316-M341 PolarHBondContact O-N 2.73Å; I316-L369 HydrophobicContact CD1-CD1 4.07Å; I316-L369 HydrophobicContact CG2-CD1 3.78Å |
| 317 | L | 85.7 | Confident | 85.5 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.1 | -164.4 | -53.8 | 176.3 | 0 | 0 | 0 | 111.6 | A315 K319 D340 I353 | A315-L317 HydrophobicContact CB-CD2 4.1Å; A315-L317 HydrophobicContact CB-CG 4.21Å; L317-K319 WeakPolarHBondContact O-CE 3.36Å; L317-K319 WeakPolarHBondContact O-CG 3.39Å; L317-K319 PolarHBondContact O-N 2.99Å; L317-D340 HydrophobicContact CD2-CB 4.29Å; L317-I353 HydrophobicContact CD1-CB 4.44Å; L317-I353 HydrophobicContact CD1-CG1 3.99Å; L317-I353 HydrophobicContact CD1-CG2 4.14Å; L317-I353 HydrophobicContact CD2-CB 4.35Å; L317-I353 HydrophobicContact CD2-CD1 3.57Å; L317-I353 HydrophobicContact CD2-CG1 3.66Å; L317-I353 HydrophobicContact CD2-CG2 3.79Å; L317-I353 HydrophobicContact CG-CG1 4.49Å; L317-I353 HydrophobicContact CG-CG2 4.49Å |
| 318 | N | 83.2 | Confident | 84.8 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.4 | 57 | -178.5 | -157.5 | 30.1 | 0 | 0 | 0 | 112.3 | K338 D340 E356 | N318-K338 WeakPolarHBondContact OD1-CD 3.37Å; N318-K338 WeakPolarHBondContact OD1-CE 3.31Å; N318-K338 PolarHBondContact OD1-NZ 2.96Å; N318-D340 PolarHBondContact N-OD1 3.14Å; N318-E356 PolarHBondContact ND2-OE2 2.85Å |
| 319 | K | 88.8 | Confident | 83.8 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.3 | 178.7 | -61.9 | -62.7 | 146.8 | -119.7 | 0 | 113.4 | I316 L317 K338 V339 H367 L369 | I316-K319 HydrophobicContact CG2-CB 4.16Å; I316-K319 HydrophobicContact CG2-CG 3.94Å; L317-K319 WeakPolarHBondContact O-CE 3.36Å; L317-K319 WeakPolarHBondContact O-CG 3.39Å; L317-K319 PolarHBondContact O-N 2.99Å; K319-K338 WeakPolarHBondContact O-CA 3.37Å; K319-V339 PolarHBondContact N-O 3.13Å; K319-V339 PolarHBondContact O-N 2.71Å; K319-H367 CarbonylContact C-O 3.29Å; K319-H367 VanDerWaalsContact CA-O 3.31Å; K319-H367 WeakPolarHBondContact CA-O 2.91Å; K319-H367 WeakPolarHBondContact CD-O 3.44Å; K319-L369 HydrophobicContact CB-CB 4.06Å |
| 320 | W | 91.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 113.6 | 176.3 | -65.3 | 94.4 | 0 | 0 | 0 | 111.2 | E222 R224 V322 V337 K338 E362 I364 H367 L368 L369 | E222-W320 HydrophobicContact CG-CH2 3.69Å; E222-W320 HydrophobicContact CG-CZ3 4.16Å; R224-W320 HydrophobicContact CB-CH2 4.13Å; R224-W320 HydrophobicContact CB-CZ3 4.15Å; R224-W320 HydrophobicContact CG-CH2 3.68Å; R224-W320 HydrophobicContact CG-CZ3 4.13Å; W320-V322 PolarHBondContact O-N 3.33Å; W320-V337 WeakPolarHBondContact CA-O 2.95Å; W320-K338 HydrophobicContact CD2-CB 3.95Å; W320-K338 HydrophobicContact CE3-CB 3.76Å; W320-K338 HydrophobicContact CH2-CB 3.91Å; W320-K338 HydrophobicContact CZ2-CB 4.09Å; W320-K338 HydrophobicContact CZ2-CD 4.41Å; W320-K338 VanDerWaalsContact CZ2-CE 3.44Å; W320-K338 HydrophobicContact CZ3-CB 3.74Å; W320-E362 PolarHBondContact NE1-OE1 2.96Å; W320-I364 HydrophobicContact CB-CG2 4Å; W320-I364 HydrophobicContact CD2-CG1 4.26Å; W320-I364 HydrophobicContact CD2-CG2 4.09Å; W320-I364 HydrophobicContact CG-CB 4.49Å; W320-I364 HydrophobicContact CG-CG2 3.78Å; W320-I364 HydrophobicContact CZ2-CG1 4.2Å; W320-H367 PolarHBondContact N-O 2.84Å; W320-L368 HydrophobicContact CB-CD2 4.11Å; W320-L369 PolarHBondContact O-N 3.42Å |
| 321 | A | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 116.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F301 I323 Y336 V337 V339 | F301-A321 HydrophobicContact CB-CB 4.1Å; F301-A321 HydrophobicContact CD1-CB 3.76Å; F301-A321 HydrophobicContact CD2-CB 3.91Å; F301-A321 HydrophobicContact CE1-CB 4.16Å; F301-A321 HydrophobicContact CE2-CB 4.28Å; F301-A321 HydrophobicContact CG-CB 3.64Å; F301-A321 HydrophobicContact CZ-CB 4.42Å; A321-I323 PolarHBondContact O-N 3.33Å; A321-Y336 WeakPolarHBondContact O-CA 3.18Å; A321-V337 PolarHBondContact N-O 2.9Å; A321-V337 PolarHBondContact O-N 3Å; A321-V339 HydrophobicContact CB-CG2 4.49Å |
| 322 | V | 90.1 | Very high | 82 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.8 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | F301 W320 I324 P333 Y336 L368 | F301-V322 WeakPolarHBondContact CD2-O 2.82Å; W320-V322 PolarHBondContact O-N 3.33Å; V322-I324 HydrophobicContact CG1-CG1 4.34Å; V322-P333 HydrophobicContact CG1-CB 3.86Å; V322-P333 HydrophobicContact CG1-CG 3.84Å; V322-Y336 HydrophobicContact CB-CD1 4.43Å; V322-Y336 HydrophobicContact CG1-CD1 4.42Å; V322-Y336 HydrophobicContact CG1-CE1 4.18Å; V322-Y336 HydrophobicContact CG2-CD1 4Å; V322-Y336 HydrophobicContact CG2-CE1 3.98Å; V322-L368 HydrophobicContact CG2-CD1 4.46Å; V322-L368 HydrophobicContact CG2-CD2 3.69Å |
| 323 | I | 91.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -100 | 133.9 | 177.2 | 56.1 | 162.7 | 0 | 0 | 0 | 111.5 | L226 V281 E300 F301 A321 T334 G335 V337 | L226-I323 HydrophobicContact CD2-CD1 3.63Å; V281-I323 HydrophobicContact CB-CD1 3.96Å; V281-I323 HydrophobicContact CG2-CD1 3.63Å; E300-I323 WeakPolarHBondContact O-CA 3.16Å; F301-I323 HydrophobicContact CB-CG2 4.08Å; A321-I323 PolarHBondContact O-N 3.33Å; I323-T334 PolarHBondContact O-N 3.18Å; I323-T334 PolarHBondContact O-OG1 2.96Å; I323-G335 VanDerWaalsContact CG1-C 3.4Å; I323-G335 WeakPolarHBondContact CG1-O 3.35Å; I323-G335 PolarHBondContact N-O 3.22Å; I323-V337 HydrophobicContact CD1-CG2 4.4Å; I323-V337 HydrophobicContact CG2-CG2 3.88Å |
| 324 | I | 85.5 | Confident | 83 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -125.8 | 145 | -176.9 | -55.8 | 179.3 | 0 | 0 | 0 | 108.8 | G299 E300 V322 P326 P329 Y453 | G299-I324 CarbonylContact C-O 3.59Å; G299-I324 WeakPolarHBondContact CA-O 3.49Å; E300-I324 PolarHBondContact N-O 2.8Å; E300-I324 PolarHBondContact O-N 2.99Å; E300-I324 VanDerWaalsContact O-N 3.11Å; V322-I324 HydrophobicContact CG1-CG1 4.34Å; I324-P326 VanDerWaalsContact O-CD 3.27Å; I324-P326 WeakPolarHBondContact O-CD 3.24Å; I324-P329 HydrophobicContact CG2-CB 4.34Å; I324-Y453 HydrophobicContact CD1-CD2 4.11Å; I324-Y453 HydrophobicContact CD1-CE2 3.69Å |
| 325 | D | 84.9 | Confident | 83.1 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | trans | -77.4 | 112.2 | 170.5 | -172.8 | -12.7 | 0 | 0 | 0 | 109.7 | R327 D328 T334 | D325-R327 VanDerWaalsContact CG-NH2 3.33Å; D325-R327 PolarHBondContact O-N 2.87Å; D325-R327 VanDerWaalsContact OD1-CB 3.26Å; D325-R327 WeakPolarHBondContact OD1-CB 3.35Å; D325-R327 WeakPolarHBondContact OD1-CG 3.22Å; D325-R327 IonicContact OD1-CZ 3.27Å; D325-R327 PolarHBondContact OD1-N 3.24Å; D325-R327 IonicContact OD1-NE 2.68Å; D325-R327 PolarHBondContact OD1-NE 2.81Å; D325-R327 IonicContact OD1-NH2 3.26Å; D325-R327 PolarHBondContact OD1-NH2 2.94Å; D325-R327 IonicContact OD2-CZ 2.73Å; D325-R327 VanDerWaalsContact OD2-CZ 3.31Å; D325-R327 IonicContact OD2-NE 3.09Å; D325-R327 PolarHBondContact OD2-NE 2.9Å; D325-R327 VanDerWaalsContact OD2-NE 3.09Å; D325-R327 IonicContact OD2-NH2 3Å; D325-R327 PolarHBondContact OD2-NH2 3.43Å; D325-D328 CarbonylContact O-C 3.46Å; D325-D328 VanDerWaalsContact O-C 3.31Å; D325-D328 PolarHBondContact O-N 2.86Å; D325-T334 HydrophobicContact CB-CG2 4Å | ||
| 326 | P | 76.2 | Confident | 83.4 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -1 | -179 | 31.5 | -38.2 | 0 | 0 | 0 | 113.5 | L297 E300 I324 R551 | L297-P326 HydrophobicContact CD2-CG 3.93Å; E300-P326 HydrophobicContact CG-CG 4.24Å; I324-P326 VanDerWaalsContact O-CD 3.27Å; I324-P326 WeakPolarHBondContact O-CD 3.24Å; P326-R551 PolarHBondContact O-NE 3.19Å |
| 327 | R | 77.7 | Confident | 83.8 | Confident | 113 Ų | 113 | 38 Ų | 38 | 43% | 0.426 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -23.2 | 171 | -55.9 | 169.2 | -64.9 | -150.6 | 0.1 | 112.6 | L297 D325 | L297-R327 PolarHBondContact O-NH2 3.24Å; D325-R327 VanDerWaalsContact CG-NH2 3.33Å; D325-R327 PolarHBondContact O-N 2.87Å; D325-R327 VanDerWaalsContact OD1-CB 3.26Å; D325-R327 WeakPolarHBondContact OD1-CB 3.35Å; D325-R327 WeakPolarHBondContact OD1-CG 3.22Å; D325-R327 IonicContact OD1-CZ 3.27Å; D325-R327 PolarHBondContact OD1-N 3.24Å; D325-R327 IonicContact OD1-NE 2.68Å; D325-R327 PolarHBondContact OD1-NE 2.81Å; D325-R327 IonicContact OD1-NH2 3.26Å; D325-R327 PolarHBondContact OD1-NH2 2.94Å; D325-R327 IonicContact OD2-CZ 2.73Å; D325-R327 VanDerWaalsContact OD2-CZ 3.31Å; D325-R327 IonicContact OD2-NE 3.09Å; D325-R327 PolarHBondContact OD2-NE 2.9Å; D325-R327 VanDerWaalsContact OD2-NE 3.09Å; D325-R327 IonicContact OD2-NH2 3Å; D325-R327 PolarHBondContact OD2-NH2 3.43Å |
| 328 | D | 73 | Confident | 84.2 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | trans | -153.9 | 76 | -171.4 | -168 | -15.4 | 0 | 0 | 0 | 111.1 | D325 W330 K331 | D325-D328 CarbonylContact O-C 3.46Å; D325-D328 VanDerWaalsContact O-C 3.31Å; D325-D328 PolarHBondContact O-N 2.86Å; D328-W330 VanDerWaalsContact C-N 3.28Å; D328-W330 PolarHBondContact O-N 3.35Å; D328-K331 IonicContact OD2-NZ 3.76Å; D328-K331 PolarHBondContact OD2-NZ 3.38Å | ||
| 329 | P | 67.2 | Low | 84.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -69.6 | -26 | -174.1 | -16.9 | 30.8 | 0 | 0 | 0 | 113.4 | I324 K331 G332 I552 | I324-P329 HydrophobicContact CG2-CB 4.34Å; P329-K331 PolarHBondContact O-N 2.83Å; P329-G332 WeakPolarHBondContact O-CA 3.42Å; P329-G332 PolarHBondContact O-N 3Å; P329-I552 HydrophobicContact CB-CD1 3.74Å; P329-I552 HydrophobicContact CB-CG1 3.99Å; P329-I552 HydrophobicContact CG-CB 3.93Å; P329-I552 HydrophobicContact CG-CD1 3.81Å; P329-I552 HydrophobicContact CG-CG1 3.61Å |
| 330 | W | 70.5 | Confident | 84.8 | Confident | 135 Ų | 135 | 32.1 Ų | 32.1 | 51% | 0.511 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -70.8 | -13.2 | -174.9 | -67.5 | 102.3 | 0 | 0 | 0 | 113.7 | D328 G332 E547 V549 V550 | D328-W330 VanDerWaalsContact C-N 3.28Å; D328-W330 PolarHBondContact O-N 3.35Å; W330-G332 PolarHBondContact O-N 3.05Å; W330-E547 VanDerWaalsContact CH2-O 3.25Å; W330-E547 WeakPolarHBondContact CH2-O 3.42Å; W330-E547 VanDerWaalsContact CZ2-O 3.26Å; W330-E547 WeakPolarHBondContact CZ2-O 3.19Å; W330-V549 WeakPolarHBondContact CZ2-O 3.34Å; W330-V549 PolarHBondContact NE1-O 3.04Å; W330-V550 PolarHBondContact NE1-O 2.78Å |
| 331 | K | 73.5 | Confident | 84.9 | Confident | 142 Ų | 142 | 32.1 Ų | 32.1 | 62% | 0.617 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -66 | -14.9 | 163 | -76.4 | -173.7 | 167 | 99.6 | 0 | 113.9 | D328 P329 | D328-K331 IonicContact OD2-NZ 3.76Å; D328-K331 PolarHBondContact OD2-NZ 3.38Å; P329-K331 PolarHBondContact O-N 2.83Å |
| 332 | G | 71.4 | Confident | 84.8 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | trans | 71.6 | -152 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P329 W330 T334 | P329-G332 WeakPolarHBondContact O-CA 3.42Å; P329-G332 PolarHBondContact O-N 3Å; W330-G332 PolarHBondContact O-N 3.05Å; G332-T334 PolarHBondContact O-N 2.73Å | ||
| 333 | P | 84.7 | Confident | 84.8 | Confident | 61 Ų | 61 | 32.4 Ų | 32.4 | 40% | 0.396 | 15% | 0.153 | S | C | . | . | trans | -57 | 123.9 | 178 | -26.4 | 36.5 | 0 | 0 | 0 | 112.8 | V322 G335 Y336 | V322-P333 HydrophobicContact CG1-CB 3.86Å; V322-P333 HydrophobicContact CG1-CG 3.84Å; P333-G335 VanDerWaalsContact C-N 3.26Å; P333-Y336 HydrophobicContact CB-CE1 4.25Å; P333-Y336 HydrophobicContact CB-CE2 4.18Å | ||
| 334 | T | 90.1 | Very high | 84.4 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -90.1 | 6.3 | 174 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | L226 V227 V298 I323 D325 G332 | L226-T334 WeakPolarHBondContact CA-O 3.49Å; V227-T334 PolarHBondContact N-O 3.45Å; V298-T334 PolarHBondContact O-OG1 3.19Å; I323-T334 PolarHBondContact O-N 3.18Å; I323-T334 PolarHBondContact O-OG1 2.96Å; D325-T334 HydrophobicContact CB-CG2 4Å; G332-T334 PolarHBondContact O-N 2.73Å |
| 335 | G | 91.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | 141.5 | -175.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | K225 I323 P333 | K225-G335 WeakPolarHBondContact O-CA 3.23Å; I323-G335 VanDerWaalsContact CG1-C 3.4Å; I323-G335 WeakPolarHBondContact CG1-O 3.35Å; I323-G335 PolarHBondContact N-O 3.22Å; P333-G335 VanDerWaalsContact C-N 3.26Å | ||
| 336 | Y | 94 | Very high | 83.3 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142.6 | -179.4 | -53.9 | -98.4 | 0 | 0 | 0 | 109.5 | A223 R224 K225 A321 V322 P333 I364 L368 | A223-Y336 CarbonylContact C-O 3.56Å; A223-Y336 WeakPolarHBondContact CA-O 3.2Å; A223-Y336 VanDerWaalsContact CB-O 3.29Å; A223-Y336 WeakPolarHBondContact CB-O 3.35Å; R224-Y336 PolarHBondContact N-O 3.46Å; R224-Y336 PolarHBondContact O-N 2.83Å; K225-Y336 HydrophobicContact CB-CD2 4.32Å; K225-Y336 HydrophobicContact CB-CE2 4.49Å; K225-Y336 HydrophobicContact CD-CD2 4.48Å; K225-Y336 HydrophobicContact CD-CE2 4.23Å; A321-Y336 WeakPolarHBondContact O-CA 3.18Å; V322-Y336 HydrophobicContact CB-CD1 4.43Å; V322-Y336 HydrophobicContact CG1-CD1 4.42Å; V322-Y336 HydrophobicContact CG1-CE1 4.18Å; V322-Y336 HydrophobicContact CG2-CD1 4Å; V322-Y336 HydrophobicContact CG2-CE1 3.98Å; P333-Y336 HydrophobicContact CB-CE1 4.25Å; P333-Y336 HydrophobicContact CB-CE2 4.18Å; Y336-I364 HydrophobicContact CD1-CG2 3.41Å; Y336-I364 VanDerWaalsContact CD1-CG2 3.41Å; Y336-I364 HydrophobicContact CD2-CD1 4.12Å; Y336-I364 HydrophobicContact CD2-CG2 4.15Å; Y336-I364 HydrophobicContact CE1-CG2 3.77Å; Y336-I364 HydrophobicContact CE2-CG2 4.48Å; Y336-I364 HydrophobicContact CG-CD1 4.36Å; Y336-I364 HydrophobicContact CG-CG2 3.62Å; Y336-L368 HydrophobicContact CD1-CD2 4.05Å; Y336-L368 HydrophobicContact CE1-CD2 4.03Å |
| 337 | V | 95.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.2 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 109 | V220 E222 A223 I235 I279 V281 W320 A321 I323 V339 | V220-V337 HydrophobicContact CG1-CG1 3.97Å; E222-V337 CarbonylContact O-C 3.36Å; E222-V337 WeakPolarHBondContact O-CA 2.81Å; A223-V337 HydrophobicContact CB-CG2 4.05Å; I235-V337 HydrophobicContact CD1-CG1 3.78Å; I235-V337 HydrophobicContact CD1-CG2 4.01Å; I279-V337 HydrophobicContact CG2-CG1 4.46Å; V281-V337 HydrophobicContact CG2-CG2 3.74Å; W320-V337 WeakPolarHBondContact CA-O 2.95Å; A321-V337 PolarHBondContact N-O 2.9Å; A321-V337 PolarHBondContact O-N 3Å; I323-V337 HydrophobicContact CD1-CG2 4.4Å; I323-V337 HydrophobicContact CG2-CG2 3.88Å; V337-V339 HydrophobicContact CG1-CG1 4.11Å |
| 338 | K | 94.4 | Very high | 81.4 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129 | 176.4 | 179 | -177.9 | -81.4 | 171.1 | 0 | 109.9 | V221 E222 N318 K319 W320 E362 | V221-K338 HydrophobicContact CB-CB 4.18Å; V221-K338 HydrophobicContact CB-CD 3.94Å; V221-K338 HydrophobicContact CB-CG 3.98Å; V221-K338 HydrophobicContact CG1-CD 3.97Å; V221-K338 HydrophobicContact CG2-CD 4.15Å; V221-K338 HydrophobicContact CG2-CG 4.08Å; V221-K338 PolarHBondContact N-O 2.87Å; E222-K338 HydrophobicContact CG-CB 3.73Å; E222-K338 HydrophobicContact CG-CD 4.16Å; E222-K338 PolarHBondContact O-N 2.95Å; E222-K338 WeakPolarHBondContact OE1-CE 3.19Å; E222-K338 IonicContact OE1-NZ 3.61Å; E222-K338 PolarHBondContact OE1-NZ 2.77Å; N318-K338 WeakPolarHBondContact OD1-CD 3.37Å; N318-K338 WeakPolarHBondContact OD1-CE 3.31Å; N318-K338 PolarHBondContact OD1-NZ 2.96Å; K319-K338 WeakPolarHBondContact O-CA 3.37Å; W320-K338 HydrophobicContact CD2-CB 3.95Å; W320-K338 HydrophobicContact CE3-CB 3.76Å; W320-K338 HydrophobicContact CH2-CB 3.91Å; W320-K338 HydrophobicContact CZ2-CB 4.09Å; W320-K338 HydrophobicContact CZ2-CD 4.41Å; W320-K338 VanDerWaalsContact CZ2-CE 3.44Å; W320-K338 HydrophobicContact CZ3-CB 3.74Å; K338-E362 VanDerWaalsContact CE-OE2 3.29Å; K338-E362 WeakPolarHBondContact CE-OE2 3.23Å; K338-E362 IonicContact NZ-OE2 2.58Å; K338-E362 PolarHBondContact NZ-OE2 3.37Å |
| 339 | V | 92.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.8 | -177.7 | -63.8 | 0 | 0 | 0 | 0 | 113 | N219 V220 I279 K319 A321 V337 M341 | N219-V339 VanDerWaalsContact O-CA 3.24Å; N219-V339 WeakPolarHBondContact O-CA 3.26Å; V220-V339 HydrophobicContact CG2-CG1 4.4Å; I279-V339 HydrophobicContact CD1-CG1 3.79Å; K319-V339 PolarHBondContact N-O 3.13Å; K319-V339 PolarHBondContact O-N 2.71Å; A321-V339 HydrophobicContact CB-CG2 4.49Å; V337-V339 HydrophobicContact CG1-CG1 4.11Å; V339-M341 HydrophobicContact CB-CG 4.44Å; V339-M341 HydrophobicContact CG2-CE 4.05Å; V339-M341 HydrophobicContact CG2-CG 4.39Å; V339-M341 HydrophobicContact CG2-SD 4.46Å |
| 340 | D | 91.8 | Very high | 79.5 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.1 | 157.6 | -55.9 | -48.6 | 0 | 0 | 0 | 107.5 | I218 N219 I316 L317 N318 R355 | I218-D340 CarbonylContact C-O 3.54Å; I218-D340 WeakPolarHBondContact CA-O 3.4Å; N219-D340 HydrophobicContact CB-CB 4.1Å; N219-D340 PolarHBondContact N-O 3.01Å; N219-D340 PolarHBondContact O-N 3.36Å; N219-D340 VanDerWaalsContact O-N 3.1Å; I316-D340 CarbonylContact O-C 3.45Å; I316-D340 WeakPolarHBondContact O-CA 3.37Å; L317-D340 HydrophobicContact CD2-CB 4.29Å; N318-D340 PolarHBondContact N-OD1 3.14Å; D340-R355 IonicContact OD2-CZ 3.9Å; D340-R355 IonicContact OD2-NE 2.79Å; D340-R355 PolarHBondContact OD2-NE 2.83Å; D340-R355 VanDerWaalsContact OD2-NE 3.11Å; D340-R355 IonicContact OD2-NH2 2.74Å |
| 341 | M | 92.8 | Very high | 78.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.2 | 177.2 | -59.6 | -176.4 | -73.4 | 0 | 0 | 110 | G217 I218 V308 A315 I316 V339 L369 | G217-M341 CarbonylContact O-C 3.56Å; G217-M341 VanDerWaalsContact O-CA 3.3Å; G217-M341 WeakPolarHBondContact O-CA 3.31Å; I218-M341 HydrophobicContact CB-CG 4.49Å; I218-M341 HydrophobicContact CG1-CG 4.1Å; I218-M341 HydrophobicContact CG2-CG 4.17Å; V308-M341 HydrophobicContact CG1-CB 3.9Å; V308-M341 HydrophobicContact CG2-CB 4.16Å; V308-M341 HydrophobicContact CG2-CE 4.32Å; V308-M341 HydrophobicContact CG2-SD 4.27Å; A315-M341 CarbonylContact C-O 3.58Å; A315-M341 WeakPolarHBondContact CA-O 3.48Å; I316-M341 HydrophobicContact CB-CB 4.44Å; I316-M341 HydrophobicContact CB-CE 4.31Å; I316-M341 HydrophobicContact CD1-CE 4.19Å; I316-M341 HydrophobicContact CG2-CE 4.13Å; I316-M341 PolarHBondContact N-O 3.2Å; I316-M341 PolarHBondContact O-N 2.73Å; V339-M341 HydrophobicContact CB-CG 4.44Å; V339-M341 HydrophobicContact CG2-CE 4.05Å; V339-M341 HydrophobicContact CG2-CG 4.39Å; V339-M341 HydrophobicContact CG2-SD 4.46Å; M341-L369 HydrophobicContact CE-CD2 3.73Å |
| 342 | H | 90.7 | Very high | 77.1 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 15% | 0.148 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.8 | 177.2 | 58.1 | -90.7 | 0 | 0 | 0 | 112.2 | L216 G217 Y260 H314 A315 | L216-H342 WeakPolarHBondContact CA-O 3.18Å; G217-H342 PolarHBondContact N-O 2.97Å; G217-H342 PolarHBondContact O-N 2.98Å; Y260-H342 AromaticContact CE2-CE1 3.89Å; H314-H342 WeakPolarHBondContact O-CA 3.47Å; A315-H342 HydrophobicContact CB-CB 3.91Å |
| 343 | V | 89.9 | Confident | 76.2 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.3 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | F214 L216 V305 V308 Y309 H314 | F214-V343 HydrophobicContact CD1-CG1 4.26Å; L216-V343 HydrophobicContact CD1-CG2 3.82Å; V305-V343 HydrophobicContact CG1-CG2 3.73Å; V308-V343 HydrophobicContact CB-CG2 4.04Å; V308-V343 HydrophobicContact CG1-CG2 3.94Å; Y309-V343 HydrophobicContact CD2-CB 4.05Å; Y309-V343 HydrophobicContact CD2-CG1 3.85Å; H314-V343 WeakPolarHBondContact CB-O 3.34Å; H314-V343 PolarHBondContact O-N 3.31Å |
| 344 | I | 83.9 | Confident | 74.2 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.6 | 171.6 | -50.2 | 176.4 | 0 | 0 | 0 | 107.6 | F214 Q215 V350 | F214-I344 CarbonylContact C-O 3.6Å; F214-I344 VanDerWaalsContact CA-O 3.24Å; F214-I344 WeakPolarHBondContact CA-O 3.24Å; Q215-I344 HydrophobicContact CB-CB 4.4Å; Q215-I344 PolarHBondContact N-O 3.18Å; Q215-I344 PolarHBondContact O-N 2.9Å; I344-V350 HydrophobicContact CD1-CG2 3.94Å; I344-V350 HydrophobicContact CG1-CG2 3.94Å; I344-V350 HydrophobicContact CG2-CG2 3.92Å |
| 345 | E | 81 | Confident | 72.3 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.8 | 168.8 | 178.8 | 169.3 | -159.9 | 0 | 0 | 108.7 | N212 F214 K269 Y309 G347 H348 | N212-E345 PolarHBondContact ND2-OE1 3.24Å; F214-E345 HydrophobicContact CD1-CB 3.8Å; F214-E345 HydrophobicContact CD1-CG 3.97Å; F214-E345 HydrophobicContact CE1-CB 3.68Å; F214-E345 HydrophobicContact CE1-CG 3.43Å; F214-E345 VanDerWaalsContact CE1-CG 3.43Å; F214-E345 HydrophobicContact CZ-CG 3.96Å; F214-E345 WeakPolarHBondContact CZ-OE1 3.08Å; K269-E345 WeakPolarHBondContact CD-OE1 3.3Å; K269-E345 WeakPolarHBondContact CE-OE2 3.47Å; K269-E345 IonicContact NZ-OE1 3.86Å; K269-E345 PolarHBondContact NZ-OE1 3.01Å; K269-E345 IonicContact NZ-OE2 3.67Å; K269-E345 PolarHBondContact NZ-OE2 2.86Å; Y309-E345 PolarHBondContact OH-OE2 2.9Å; E345-G347 PolarHBondContact O-N 2.81Å; E345-H348 WeakPolarHBondContact O-CB 3.22Å; E345-H348 PolarHBondContact O-N 3.47Å; E345-H348 IonicContact OE2-CE1 3.72Å |
| 346 | E | 66.5 | Low | 70.1 | Confident | 110 Ų | 110 | 65.8 Ų | 65.8 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | 124.5 | 174.6 | -163.3 | 179.7 | 159.8 | 0 | 0 | 111.7 | Q213 | Q213-E346 PolarHBondContact N-OE2 2.87Å; Q213-E346 PolarHBondContact O-N 2.91Å; Q213-E346 VanDerWaalsContact O-N 3.13Å |
| 347 | G | 54.2 | Low | 67.8 | Low | 59 Ų | 59 | 70.7 Ų | 70.7 | 61% | 0.608 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -7.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | E345 | E345-G347 PolarHBondContact O-N 2.81Š|
| 348 | H | 58.8 | Low | 65.5 | Low | 91 Ų | 91 | 73.9 Ų | 73.9 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | trans | -89 | 134.4 | 177.3 | -72.5 | 63.5 | 0 | 0 | 0 | 112.7 | H314 E345 V350 | H314-H348 AromaticContact NE2-CD2 3.79Å; E345-H348 WeakPolarHBondContact O-CB 3.22Å; E345-H348 PolarHBondContact O-N 3.47Å; E345-H348 IonicContact OE2-CE1 3.72Å; H348-V350 PolarHBondContact O-N 2.87Å | ||
| 349 | Q | 48 | Very low | 63.5 | Low | 120 Ų | 120 | 74.2 Ų | 74.2 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | trans | -76.3 | 115.4 | 179.4 | -76.5 | -72.8 | -33.5 | 0 | 0 | 111.9 | K351 H1596 | Q349-K351 PolarHBondContact O-N 2.84Å; Q349-H1596 PolarHBondContact NE2-CE1 3.49Å; Q349-H1596 PolarHBondContact NE2-NE2 3.34Å | ||
| 350 | V | 53.5 | Low | 61.7 | Low | 79 Ų | 79 | 77.5 Ų | 77.5 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | trans | -74.6 | 111.1 | -177.8 | -179.2 | 0 | 0 | 0 | 0 | 111 | I344 H348 | I344-V350 HydrophobicContact CD1-CG2 3.94Å; I344-V350 HydrophobicContact CG1-CG2 3.94Å; I344-V350 HydrophobicContact CG2-CG2 3.92Å; H348-V350 PolarHBondContact O-N 2.87Å | ||
| 351 | K | 48.5 | Very low | 60.1 | Low | 132 Ų | 132 | 82.2 Ų | 82.2 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 134.5 | 174.1 | -72.6 | 177.6 | -173.1 | 163.5 | 0 | 111.1 | D313 Q349 I353 | D313-K351 HydrophobicContact CB-CD 4.2Å; D313-K351 IonicContact OD1-NZ 2.65Å; D313-K351 PolarHBondContact OD1-NZ 2.86Å; D313-K351 WeakPolarHBondContact OD2-CD 3.43Å; D313-K351 IonicContact OD2-NZ 3.83Å; D313-K351 PolarHBondContact OD2-NZ 2.96Å; Q349-K351 PolarHBondContact O-N 2.84Å; K351-I353 PolarHBondContact O-N 2.82Å |
| 352 | R | 44.7 | Very low | 58.8 | Low | 143 Ų | 143 | 82.6 Ų | 82.6 | 54% | 0.54 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 116.1 | -171.7 | -159 | 179 | -154 | 178.9 | 10.2 | 112.1 | R354 K1653 | R352-R354 PolarHBondContact O-N 2.85Å; R352-K1653 PolarHBondContact NH2-O 2.78Å |
| 353 | I | 51.5 | Low | 57.9 | Low | 60 Ų | 60 | 85.6 Ų | 85.6 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 121.7 | 172.7 | -64 | 168.5 | 0 | 0 | 0 | 109.4 | L317 K351 | L317-I353 HydrophobicContact CD1-CB 4.44Å; L317-I353 HydrophobicContact CD1-CG1 3.99Å; L317-I353 HydrophobicContact CD1-CG2 4.14Å; L317-I353 HydrophobicContact CD2-CB 4.35Å; L317-I353 HydrophobicContact CD2-CD1 3.57Å; L317-I353 HydrophobicContact CD2-CG1 3.66Å; L317-I353 HydrophobicContact CD2-CG2 3.79Å; L317-I353 HydrophobicContact CG-CG1 4.49Å; L317-I353 HydrophobicContact CG-CG2 4.49Å; K351-I353 PolarHBondContact O-N 2.82Å |
| 354 | R | 44.3 | Very low | 57.3 | Low | 211 Ų | 211 | 85.6 Ų | 85.6 | 80% | 0.796 | 41% | 0.411 | S | S | * | . | trans | -105.4 | 100.9 | 169.9 | -174.5 | 178.5 | -175.4 | 179.1 | -0.9 | 107.5 | R352 | R352-R354 PolarHBondContact O-N 2.85Š| ||
| 355 | R | 49.4 | Very low | 56.8 | Low | 117 Ų | 117 | 89.6 Ų | 89.6 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 136.4 | 168.5 | -68.2 | -174.9 | -176.8 | 159.3 | -2 | 109.5 | N219 D258 D340 | N219-R355 PolarHBondContact ND2-NH2 2.86Å; N219-R355 PolarHBondContact OD1-NH2 3.01Å; D258-R355 VanDerWaalsContact CG-NH1 3.28Å; D258-R355 IonicContact OD1-CZ 3.22Å; D258-R355 IonicContact OD1-NH1 2.81Å; D258-R355 PolarHBondContact OD1-NH1 2.85Å; D258-R355 IonicContact OD1-NH2 3.25Å; D258-R355 PolarHBondContact OD1-NH2 2.78Å; D258-R355 IonicContact OD2-CZ 2.89Å; D258-R355 IonicContact OD2-NH1 2.68Å; D258-R355 PolarHBondContact OD2-NH1 2.87Å; D258-R355 IonicContact OD2-NH2 3.78Å; D340-R355 IonicContact OD2-CZ 3.9Å; D340-R355 IonicContact OD2-NE 2.79Å; D340-R355 PolarHBondContact OD2-NE 2.83Å; D340-R355 VanDerWaalsContact OD2-NE 3.11Å; D340-R355 IonicContact OD2-NH2 2.74Å |
| 356 | E | 45.7 | Very low | 56.6 | Low | 120 Ų | 120 | 94.5 Ų | 94.5 | 56% | 0.561 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 163.3 | 161.4 | -72.5 | 139 | 177.5 | 0 | 0 | 109.2 | N318 | N318-E356 PolarHBondContact ND2-OE2 2.85Š|
| 357 | K | 46.7 | Very low | 57.2 | Low | 136 Ų | 136 | 91.5 Ų | 91.5 | 59% | 0.591 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 151.8 | 172.9 | -82.2 | -178.6 | 172.7 | -175.8 | 0 | 109.2 | D359 V1436 | K357-D359 PolarHBondContact O-N 2.81Å; K357-V1436 HydrophobicContact CB-CG1 4.49Å; K357-V1436 HydrophobicContact CD-CB 4.35Å; K357-V1436 HydrophobicContact CD-CG1 3.4Å; K357-V1436 VanDerWaalsContact CD-CG1 3.4Å; K357-V1436 HydrophobicContact CD-CG2 4.01Å |
| 358 | P | 47 | Very low | 58.6 | Low | 67 Ų | 67 | 90.7 Ų | 90.7 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | trans | -66.2 | 97.7 | 175.6 | 28.3 | -33.6 | 0 | 0 | 0 | 108.4 | H360 | P358-H360 PolarHBondContact O-CD2 2.83Å; P358-H360 VanDerWaalsContact O-CD2 3.3Å | ||
| 359 | D | 51.9 | Low | 59.8 | Low | 10 Ų | 10 | 86.9 Ų | 86.9 | 5% | 0.053 | 41% | 0.405 | C | S | . | . | trans | -79.4 | 125.2 | 178.8 | -161.8 | 97.1 | 0 | 0 | 0 | 108.5 | R224 K357 D361 E362 E1435 V1436 N1437 | R224-D359 PolarHBondContact NH1-O 3.13Å; R224-D359 PolarHBondContact NH2-O 3.48Å; K357-D359 PolarHBondContact O-N 2.81Å; D359-D361 PolarHBondContact OD2-N 2.82Å; D359-E362 HydrophobicContact CB-CB 3.94Å; D359-E362 HydrophobicContact CB-CG 4.43Å; D359-E362 VanDerWaalsContact O-CB 3.25Å; D359-E362 WeakPolarHBondContact O-CB 3.4Å; D359-E362 PolarHBondContact OD2-N 2.98Å; D359-E362 VanDerWaalsContact OD2-N 3.08Å; D359-E1435 WeakPolarHBondContact OD1-CB 3.3Å; D359-V1436 PolarHBondContact OD1-N 3.4Å; D359-N1437 HydrophobicContact CB-CB 4.49Å; D359-N1437 WeakPolarHBondContact OD1-CB 3.4Å; D359-N1437 PolarHBondContact OD1-N 2.97Å; D359-N1437 PolarHBondContact OD2-ND2 3.44Å | ||
| 360 | H | 54.9 | Low | 61.2 | Low | 69 Ų | 69 | 86 Ų | 86 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -83.2 | -35.6 | -172.7 | -82.4 | -116.5 | 0 | 0 | 0 | 112 | R224 P358 E362 N1437 L1439 T1440 | R224-H360 PolarHBondContact NH1-O 2.88Å; P358-H360 PolarHBondContact O-CD2 2.83Å; P358-H360 VanDerWaalsContact O-CD2 3.3Å; H360-E362 PolarHBondContact O-N 3.49Å; H360-N1437 HydrophobicContact CB-CB 4.27Å; H360-L1439 HydrophobicContact CB-CB 3.69Å; H360-L1439 HydrophobicContact CB-CD1 3.51Å; H360-L1439 HydrophobicContact CB-CG 4.22Å; H360-L1439 PolarHBondContact CE1-O 3.07Å; H360-L1439 VanDerWaalsContact CG-CB 3.48Å; H360-T1440 PolarHBondContact CE1-OG1 3.02Å |
| 361 | D | 59 | Low | 62.1 | Low | 107 Ų | 107 | 82.7 Ų | 82.7 | 57% | 0.572 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -81.9 | -0.3 | 170.6 | -51.1 | -32.8 | 0 | 0 | 0 | 112.9 | D359 I363 N1437 | D359-D361 PolarHBondContact OD2-N 2.82Å; D361-I363 PolarHBondContact O-N 2.78Å; D361-N1437 VanDerWaalsContact CB-ND2 3.26Å; D361-N1437 WeakPolarHBondContact CB-ND2 3.37Å; D361-N1437 PolarHBondContact N-ND2 2.93Å; D361-N1437 PolarHBondContact OD2-ND2 2.93Å; D361-N1437 PolarHBondContact OD2-OD1 2.83Å |
| 362 | E | 65.4 | Low | 63 | Low | 9 Ų | 9 | 84.5 Ų | 84.5 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | trans | -39.8 | 111.8 | -176.8 | -164.9 | -166.7 | 138.2 | 0 | 0 | 111.3 | W320 K338 D359 H360 I364 H367 | W320-E362 PolarHBondContact NE1-OE1 2.96Å; K338-E362 VanDerWaalsContact CE-OE2 3.29Å; K338-E362 WeakPolarHBondContact CE-OE2 3.23Å; K338-E362 IonicContact NZ-OE2 2.58Å; K338-E362 PolarHBondContact NZ-OE2 3.37Å; D359-E362 HydrophobicContact CB-CB 3.94Å; D359-E362 HydrophobicContact CB-CG 4.43Å; D359-E362 VanDerWaalsContact O-CB 3.25Å; D359-E362 WeakPolarHBondContact O-CB 3.4Å; D359-E362 PolarHBondContact OD2-N 2.98Å; D359-E362 VanDerWaalsContact OD2-N 3.08Å; H360-E362 PolarHBondContact O-N 3.49Å; E362-I364 VanDerWaalsContact C-N 3.25Å; E362-I364 PolarHBondContact O-N 3.47Å; E362-H367 WeakPolarHBondContact CG-ND1 3.14Å; E362-H367 WeakPolarHBondContact OE1-CB 3.16Å; E362-H367 IonicContact OE1-CE1 2.73Å; E362-H367 IonicContact OE1-CG 3.95Å; E362-H367 IonicContact OE1-ND1 3.71Å; E362-H367 PolarHBondContact OE1-ND1 2.76Å | ||
| 363 | I | 71.1 | Confident | 64.2 | Low | 94 Ų | 94 | 78.2 Ų | 78.2 | 48% | 0.482 | 36% | 0.363 | S | S | . | . | trans | -70.9 | 91.2 | -178.3 | -56.9 | 178 | 0 | 0 | 0 | 106.9 | D361 E365 N366 | D361-I363 PolarHBondContact O-N 2.78Å; I363-E365 HydrophobicContact CG2-CB 4.22Å; I363-E365 PolarHBondContact O-N 3.32Å; I363-N366 WeakPolarHBondContact O-CB 3.3Å; I363-N366 PolarHBondContact O-N 2.79Å | ||
| 364 | I | 76.9 | Confident | 64.6 | Low | 8 Ų | 8 | 76.6 Ų | 76.6 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -41.3 | -37.4 | -177.5 | -66.1 | 177.4 | 0 | 0 | 0 | 112 | R224 K225 W320 Y336 E362 N366 H367 L368 | R224-I364 HydrophobicContact CB-CD1 4.18Å; K225-I364 HydrophobicContact CD-CD1 4.28Å; W320-I364 HydrophobicContact CB-CG2 4Å; W320-I364 HydrophobicContact CD2-CG1 4.26Å; W320-I364 HydrophobicContact CD2-CG2 4.09Å; W320-I364 HydrophobicContact CG-CB 4.49Å; W320-I364 HydrophobicContact CG-CG2 3.78Å; W320-I364 HydrophobicContact CZ2-CG1 4.2Å; Y336-I364 HydrophobicContact CD1-CG2 3.41Å; Y336-I364 VanDerWaalsContact CD1-CG2 3.41Å; Y336-I364 HydrophobicContact CD2-CD1 4.12Å; Y336-I364 HydrophobicContact CD2-CG2 4.15Å; Y336-I364 HydrophobicContact CE1-CG2 3.77Å; Y336-I364 HydrophobicContact CE2-CG2 4.48Å; Y336-I364 HydrophobicContact CG-CD1 4.36Å; Y336-I364 HydrophobicContact CG-CG2 3.62Å; E362-I364 VanDerWaalsContact C-N 3.25Å; E362-I364 PolarHBondContact O-N 3.47Å; I364-N366 VanDerWaalsContact C-N 3.33Å; I364-N366 PolarHBondContact O-N 2.93Å; I364-H367 CarbonylContact O-C 3.59Å; I364-H367 PolarHBondContact O-N 3.16Å; I364-H367 VanDerWaalsContact O-N 3.14Å; I364-L368 HydrophobicContact CG2-CD2 3.93Å; I364-L368 WeakPolarHBondContact O-CD2 3.21Å; I364-L368 WeakPolarHBondContact O-CG 3.43Å; I364-L368 PolarHBondContact O-N 3.44Å; I364-L368 VanDerWaalsContact O-N 3.16Å |
| 365 | E | 74.6 | Confident | 65 | Low | 130 Ų | 130 | 69.5 Ų | 69.5 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -61.7 | -32.6 | 180 | -64.7 | 170.8 | -169.9 | 0 | 0 | 113.5 | I363 H367 | I363-E365 HydrophobicContact CG2-CB 4.22Å; I363-E365 PolarHBondContact O-N 3.32Å; E365-H367 VanDerWaalsContact C-N 3.34Å |
| 366 | N | 75 | Confident | 65.1 | Low | 112 Ų | 112 | 66.1 Ų | 66.1 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -71.7 | -28.4 | 175.2 | -67.7 | -17.6 | 0 | 0 | 0 | 112.5 | I363 I364 | I363-N366 WeakPolarHBondContact O-CB 3.3Å; I363-N366 PolarHBondContact O-N 2.79Å; I364-N366 VanDerWaalsContact C-N 3.33Å; I364-N366 PolarHBondContact O-N 2.93Å |
| 367 | H | 80.2 | Confident | 65.2 | Low | 48 Ų | 48 | 66.8 Ų | 66.8 | 22% | 0.222 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -115.1 | 25.9 | -173.9 | -58 | 146 | 0 | 0 | 0 | 113 | K319 W320 E362 I364 E365 | K319-H367 CarbonylContact C-O 3.29Å; K319-H367 VanDerWaalsContact CA-O 3.31Å; K319-H367 WeakPolarHBondContact CA-O 2.91Å; K319-H367 WeakPolarHBondContact CD-O 3.44Å; W320-H367 PolarHBondContact N-O 2.84Å; E362-H367 WeakPolarHBondContact CG-ND1 3.14Å; E362-H367 WeakPolarHBondContact OE1-CB 3.16Å; E362-H367 IonicContact OE1-CE1 2.73Å; E362-H367 IonicContact OE1-CG 3.95Å; E362-H367 IonicContact OE1-ND1 3.71Å; E362-H367 PolarHBondContact OE1-ND1 2.76Å; I364-H367 CarbonylContact O-C 3.59Å; I364-H367 PolarHBondContact O-N 3.16Å; I364-H367 VanDerWaalsContact O-N 3.14Å; E365-H367 VanDerWaalsContact C-N 3.34Å |
| 368 | L | 84 | Confident | 65.4 | Low | 42 Ų | 42 | 65.5 Ų | 65.5 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -60.8 | 142.8 | 170.3 | -63.4 | -178.5 | 0 | 0 | 0 | 111.3 | W320 V322 Y336 I364 L370 | W320-L368 HydrophobicContact CB-CD2 4.11Å; V322-L368 HydrophobicContact CG2-CD1 4.46Å; V322-L368 HydrophobicContact CG2-CD2 3.69Å; Y336-L368 HydrophobicContact CD1-CD2 4.05Å; Y336-L368 HydrophobicContact CE1-CD2 4.03Å; I364-L368 HydrophobicContact CG2-CD2 3.93Å; I364-L368 WeakPolarHBondContact O-CD2 3.21Å; I364-L368 WeakPolarHBondContact O-CG 3.43Å; I364-L368 PolarHBondContact O-N 3.44Å; I364-L368 VanDerWaalsContact O-N 3.16Å; L368-L370 HydrophobicContact CB-CD2 4.12Å; L368-L370 HydrophobicContact CB-CG 4.21Å; L368-L370 PolarHBondContact O-N 2.98Å |
| 369 | L | 83.1 | Confident | 66 | Low | 11 Ų | 11 | 69.4 Ų | 69.4 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | trans | -69.6 | 121.3 | 162.9 | -179.3 | 45.9 | 0 | 0 | 0 | 108.2 | F301 I316 K319 W320 M341 F457 | F301-L369 HydrophobicContact CE1-CD2 3.81Å; F301-L369 HydrophobicContact CE2-CD2 4.4Å; F301-L369 HydrophobicContact CZ-CD2 3.47Å; F301-L369 VanDerWaalsContact CZ-CD2 3.47Å; F301-L369 HydrophobicContact CZ-CG 4.05Å; I316-L369 HydrophobicContact CD1-CD1 4.07Å; I316-L369 HydrophobicContact CG2-CD1 3.78Å; K319-L369 HydrophobicContact CB-CB 4.06Å; W320-L369 PolarHBondContact O-N 3.42Å; M341-L369 HydrophobicContact CE-CD2 3.73Å; L369-F457 HydrophobicContact CG-CD1 4.33Å; L369-F457 HydrophobicContact CG-CE1 3.91Å; L369-F457 VanDerWaalsContact O-CE1 3.3Å; L369-F457 WeakPolarHBondContact O-CE1 3.37Å; L369-F457 WeakPolarHBondContact O-CZ 3.31Å | ||
| 370 | L | 78.5 | Confident | 67.1 | Low | 102 Ų | 102 | 71.9 Ų | 71.9 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | trans | -126 | 141.1 | -175.3 | -65.6 | 177.6 | 0 | 0 | 0 | 112.1 | L368 R372 | L368-L370 HydrophobicContact CB-CD2 4.12Å; L368-L370 HydrophobicContact CB-CG 4.21Å; L368-L370 PolarHBondContact O-N 2.98Å; L370-R372 PolarHBondContact O-N 3.26Å | ||
| 371 | P | 71.4 | Confident | 68.2 | Low | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | trans | -85.6 | 93.8 | -173.6 | 33.3 | -33.8 | 0 | 0 | 0 | 112.4 | Y373 P455 S456 F457 | P371-Y373 HydrophobicContact CB-CE1 4.25Å; P371-Y373 PolarHBondContact O-N 2.82Å; P371-P455 HydrophobicContact CB-CB 4Å; P371-P455 HydrophobicContact CG-CB 3.71Å; P371-P455 HydrophobicContact CG-CG 4.09Å; P371-S456 WeakPolarHBondContact CB-O 3.34Å; P371-F457 HydrophobicContact CB-CD1 3.96Å; P371-F457 HydrophobicContact CB-CE1 4.05Å; P371-F457 HydrophobicContact CB-CG 4.5Å; P371-F457 HydrophobicContact CG-CD1 4.48Å; P371-F457 HydrophobicContact CG-CE1 4.17Å; P371-F457 HydrophobicContact CG-CZ 4.35Å | ||
| 372 | R | 67.8 | Low | 69.3 | Low | 169 Ų | 169 | 65.8 Ų | 65.8 | 64% | 0.638 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -76.4 | -15.5 | -170 | -72.1 | 172.4 | 166.8 | 170.6 | -5.5 | 116.7 | E311 L370 T374 G375 | E311-R372 VanDerWaalsContact OE1-CD 3.27Å; E311-R372 WeakPolarHBondContact OE1-CD 3.15Å; E311-R372 IonicContact OE1-NH1 2.72Å; E311-R372 IonicContact OE2-CZ 3.47Å; E311-R372 IonicContact OE2-NH1 2.68Å; E311-R372 PolarHBondContact OE2-NH1 3.36Å; L370-R372 PolarHBondContact O-N 3.26Å; R372-T374 PolarHBondContact O-N 3.08Å; R372-G375 PolarHBondContact O-N 2.82Å |
| 373 | Y | 69.4 | Low | 70.3 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -67 | -11.8 | -164 | 66.4 | -99.2 | 0 | 0 | 0 | 116.4 | P371 S456 T458 R459 I482 | P371-Y373 HydrophobicContact CB-CE1 4.25Å; P371-Y373 PolarHBondContact O-N 2.82Å; Y373-S456 WeakPolarHBondContact CE1-O 3.12Å; Y373-S456 PolarHBondContact OH-N 2.87Å; Y373-S456 PolarHBondContact OH-O 2.96Å; Y373-T458 PolarHBondContact OH-O 2.78Å; Y373-R459 HydrophobicContact CD1-CG 3.74Å; Y373-R459 HydrophobicContact CE1-CG 4.02Å; Y373-R459 HydrophobicContact CG-CG 4.03Å; Y373-I482 HydrophobicContact CE2-CB 4.17Å; Y373-I482 HydrophobicContact CE2-CG2 3.91Å |
| 374 | T | 60.1 | Low | 71.2 | Confident | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.16 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -91.4 | -11 | 175.9 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | R372 M376 F454 P455 M486 | R372-T374 PolarHBondContact O-N 3.08Å; T374-M376 PolarHBondContact O-N 2.96Å; T374-M376 WeakPolarHBondContact OG1-CG 3.29Å; T374-M376 PolarHBondContact OG1-N 2.83Å; T374-F454 HydrophobicContact CG2-CE1 4.18Å; T374-F454 HydrophobicContact CG2-CZ 3.88Å; T374-P455 HydrophobicContact CG2-CB 3.93Å; T374-P455 HydrophobicContact CG2-CG 3.99Å; T374-P455 WeakPolarHBondContact OG1-CG 3.38Å; T374-M486 HydrophobicContact CG2-CE 4.1Å; T374-M486 HydrophobicContact CG2-SD 4.37Å |
| 375 | G | 53.6 | Low | 71.9 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | trans | 69.4 | 8.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R372 | R372-G375 PolarHBondContact O-N 2.82Š| ||
| 376 | M | 51.5 | Low | 72.8 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | trans | -86.3 | 122.4 | -179.8 | -60.1 | -89.6 | -74.8 | 0 | 0 | 110 | T374 Q378 N493 | T374-M376 PolarHBondContact O-N 2.96Å; T374-M376 WeakPolarHBondContact OG1-CG 3.29Å; T374-M376 PolarHBondContact OG1-N 2.83Å; M376-Q378 PolarHBondContact O-N 2.92Å; M376-N493 HydrophobicContact SD-CB 4.24Å | ||
| 377 | T | 47.5 | Very low | 73.8 | Confident | 134 Ų | 134 | 51.3 Ų | 51.3 | 82% | 0.822 | 26% | 0.261 | S | S | * | . | trans | -82.8 | 21.4 | 177.3 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 378 | Q | 51.4 | Low | 74.7 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 51% | 0.514 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -113.9 | 151.6 | -157.9 | -70.5 | 174.3 | -17.6 | 0 | 0 | 113.7 | M376 R380 | M376-Q378 PolarHBondContact O-N 2.92Å; Q378-R380 PolarHBondContact O-N 3.13Å |
| 379 | K | 59.4 | Low | 75.3 | Confident | 148 Ų | 148 | 47.6 Ų | 47.6 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | trans | -44.5 | 131.5 | 171.4 | -176.1 | 173.6 | -175.4 | 170.4 | 0 | 111.3 | D121 I381 | D121-K379 WeakPolarHBondContact OD2-CD 3.42Å; D121-K379 WeakPolarHBondContact OD2-CE 3.01Å; D121-K379 IonicContact OD2-NZ 3.97Å; D121-K379 PolarHBondContact OD2-NZ 2.97Å; K379-I381 PolarHBondContact O-N 2.89Å | ||
| 380 | R | 74.2 | Confident | 75.9 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | trans | -64.5 | 126 | 174.9 | -65.8 | -179.6 | 78.7 | -146.3 | 5.4 | 109.4 | Q378 D452 Y453 F454 P455 | Q378-R380 PolarHBondContact O-N 3.13Å; R380-D452 IonicContact NH2-OD1 2.7Å; R380-Y453 HydrophobicContact CB-CD1 4.44Å; R380-Y453 VanDerWaalsContact NH2-CB 3.35Å; R380-Y453 PolarHBondContact NH2-O 3.46Å; R380-F454 VanDerWaalsContact CA-O 3.29Å; R380-F454 WeakPolarHBondContact CA-O 3.43Å; R380-P455 PolarHBondContact NE-O 2.92Å; R380-P455 PolarHBondContact NH2-O 3.03Å; R380-P455 VanDerWaalsContact NH2-O 3.14Å | ||
| 381 | I | 77.9 | Confident | 76.7 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.159 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 157.5 | 178.6 | 56.4 | 161.7 | 0 | 0 | 0 | 110.4 | K379 Y453 F454 F494 E545 | K379-I381 PolarHBondContact O-N 2.89Å; I381-Y453 CarbonylContact O-C 3.48Å; I381-Y453 VanDerWaalsContact O-CA 3.25Å; I381-Y453 WeakPolarHBondContact O-CA 3.5Å; I381-F454 PolarHBondContact N-O 2.69Å; I381-F454 VanDerWaalsContact N-O 3.13Å; I381-F454 PolarHBondContact O-N 3.11Å; I381-F494 HydrophobicContact CD1-CE1 3.7Å; I381-F494 HydrophobicContact CD1-CZ 3.63Å; I381-E545 HydrophobicContact CD1-CB 4.05Å; I381-E545 HydrophobicContact CD1-CG 3.76Å; I381-E545 WeakPolarHBondContact CD1-OE2 3.24Å; I381-E545 WeakPolarHBondContact CG2-OE1 3.29Å |
| 382 | M | 82.8 | Confident | 77.9 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.3 | 172.2 | -170 | 58.5 | 70.3 | 0 | 0 | 109.8 | Y453 D546 V549 I552 | M382-Y453 HydrophobicContact CE-CD1 4.12Å; M382-Y453 HydrophobicContact CE-CD2 4.06Å; M382-Y453 HydrophobicContact CE-CE1 3.78Å; M382-Y453 HydrophobicContact CE-CE2 3.74Å; M382-Y453 HydrophobicContact CE-CG 4.25Å; M382-D546 PolarHBondContact O-N 2.79Å; M382-V549 HydrophobicContact CG-CB 3.71Å; M382-V549 HydrophobicContact CG-CG1 3.89Å; M382-V549 HydrophobicContact CG-CG2 3.94Å; M382-V549 HydrophobicContact SD-CB 4.47Å; M382-V549 HydrophobicContact SD-CG1 4Å; M382-I552 HydrophobicContact CE-CD1 4.21Å; M382-I552 HydrophobicContact CE-CG1 3.89Å; M382-I552 HydrophobicContact SD-CG1 4.36Å |
| 383 | L | 86.6 | Confident | 79 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122 | -175.2 | -169.1 | 85.9 | 0 | 0 | 0 | 110.6 | M385 D452 F454 F494 M544 | L383-M385 HydrophobicContact CD2-CB 4.41Å; L383-M385 HydrophobicContact CD2-CE 4.08Å; L383-M385 PolarHBondContact O-N 3.05Å; L383-D452 PolarHBondContact N-O 3.16Å; L383-D452 PolarHBondContact O-N 2.78Å; L383-F454 HydrophobicContact CB-CB 3.63Å; L383-F454 HydrophobicContact CD1-CB 4.42Å; L383-F454 HydrophobicContact CD2-CB 3.69Å; L383-F454 HydrophobicContact CD2-CD2 3.7Å; L383-F454 HydrophobicContact CD2-CG 3.72Å; L383-F454 HydrophobicContact CG-CB 4.11Å; L383-F494 HydrophobicContact CD1-CD1 3.91Å; L383-F494 HydrophobicContact CD1-CE1 3.96Å; L383-F494 HydrophobicContact CD1-CG 4.39Å; L383-F494 HydrophobicContact CD1-CZ 4.43Å; L383-M544 CarbonylContact C-O 3.48Å; L383-M544 WeakPolarHBondContact CA-O 3.36Å; L383-M544 WeakPolarHBondContact CD1-O 3.15Å |
| 384 | S | 89.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 105.3 | 162.5 | 134.4 | 0 | 0 | 0 | 0 | 108.5 | K386 S543 M544 D546 | S384-K386 PolarHBondContact OG-NZ 3.14Å; S384-S543 WeakPolarHBondContact O-CA 3.46Å; S384-M544 PolarHBondContact N-O 3.04Å; S384-M544 PolarHBondContact O-N 3.13Å; S384-D546 WeakPolarHBondContact CB-OD2 3.32Å |
| 385 | M | 91.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 100.4 | 169.7 | -173.5 | -178.4 | -60.7 | 0 | 0 | 110.4 | L383 V387 Y426 F450 I461 P495 I541 R542 | L383-M385 HydrophobicContact CD2-CB 4.41Å; L383-M385 HydrophobicContact CD2-CE 4.08Å; L383-M385 PolarHBondContact O-N 3.05Å; M385-V387 HydrophobicContact CG-CG2 4.49Å; M385-V387 PolarHBondContact O-N 3.35Å; M385-Y426 HydrophobicContact CB-CE1 4.44Å; M385-Y426 HydrophobicContact CE-CD1 4.29Å; M385-Y426 HydrophobicContact CE-CE1 3.54Å; M385-Y426 HydrophobicContact CE-CE2 4.47Å; M385-Y426 HydrophobicContact SD-CD1 3.86Å; M385-Y426 HydrophobicContact SD-CE1 3.72Å; M385-Y426 HydrophobicContact SD-CG 4.49Å; M385-F450 HydrophobicContact CB-CB 4.35Å; M385-F450 PolarHBondContact N-O 3.16Å; M385-F450 PolarHBondContact O-N 2.84Å; M385-I461 HydrophobicContact SD-CD1 3.75Å; M385-P495 HydrophobicContact CE-CB 3.96Å; M385-P495 HydrophobicContact CE-CG 3.75Å; M385-I541 HydrophobicContact CG-CG2 3.72Å; M385-I541 HydrophobicContact SD-CG2 3.86Å; M385-R542 CarbonylContact C-O 3.54Å |
| 386 | K | 94 | Very high | 82.9 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 101.5 | -179.3 | -73.6 | 168.6 | 168.3 | 69.2 | 0 | 110.2 | S384 S388 T447 E449 R542 M544 | S384-K386 PolarHBondContact OG-NZ 3.14Å; K386-S388 PolarHBondContact O-N 3.23Å; K386-T447 HydrophobicContact CB-CG2 3.71Å; K386-T447 HydrophobicContact CG-CG2 4.06Å; K386-E449 WeakPolarHBondContact CE-OE1 3.33Å; K386-E449 HydrophobicContact CG-CB 4.25Å; K386-E449 HydrophobicContact CG-CG 4.16Å; K386-E449 IonicContact NZ-OE1 2.63Å; K386-E449 PolarHBondContact NZ-OE1 3.37Å; K386-R542 PolarHBondContact N-O 3.11Å; K386-R542 PolarHBondContact O-N 3.07Å; K386-M544 HydrophobicContact CD-CE 4.36Å |
| 387 | V | 96.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 98.6 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | M385 I389 V424 T447 I448 F450 A540 I541 | M385-V387 HydrophobicContact CG-CG2 4.49Å; M385-V387 PolarHBondContact O-N 3.35Å; V387-I389 HydrophobicContact CG1-CG1 4.31Å; V387-V424 HydrophobicContact CG1-CG1 4.39Å; V387-V424 HydrophobicContact CG1-CG2 4.31Å; V387-T447 WeakPolarHBondContact O-CA 2.91Å; V387-I448 WeakPolarHBondContact CA-O 3.47Å; V387-I448 PolarHBondContact N-O 3.44Å; V387-I448 PolarHBondContact O-N 2.86Å; V387-F450 HydrophobicContact CB-CE2 4.41Å; V387-F450 HydrophobicContact CG2-CD2 3.95Å; V387-F450 HydrophobicContact CG2-CE2 3.93Å; V387-A540 CarbonylContact C-O 3.56Å; V387-A540 WeakPolarHBondContact CA-O 3.43Å; V387-I541 HydrophobicContact CG1-CG1 4.38Å; V387-I541 HydrophobicContact CG2-CG1 4.3Å; V387-I541 HydrophobicContact CG2-CG2 4.42Å |
| 388 | S | 97.3 | Very high | 85.7 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.2 | -178.6 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | K386 Y390 T447 L539 A540 | K386-S388 PolarHBondContact O-N 3.23Å; S388-Y390 WeakPolarHBondContact CB-OH 3.25Å; S388-T447 PolarHBondContact OG-OG1 3.28Å; S388-L539 CarbonylContact O-C 3.57Å; S388-L539 WeakPolarHBondContact O-CA 3.49Å; S388-L539 WeakPolarHBondContact O-CB 3.37Å; S388-A540 PolarHBondContact N-O 3.09Å; S388-A540 PolarHBondContact O-N 2.72Å |
| 389 | I | 97.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.9 | -174 | -58.6 | 163.4 | 0 | 0 | 0 | 106.9 | V387 V422 V424 T433 W444 N445 E446 I448 L537 | V387-I389 HydrophobicContact CG1-CG1 4.31Å; I389-V422 HydrophobicContact CD1-CB 4.13Å; I389-V422 HydrophobicContact CD1-CG1 3.92Å; I389-V422 HydrophobicContact CG2-CB 4.21Å; I389-V422 HydrophobicContact CG2-CG2 3.95Å; I389-V424 HydrophobicContact CD1-CG2 3.82Å; I389-T433 HydrophobicContact CB-CG2 4.09Å; I389-T433 HydrophobicContact CD1-CG2 3.59Å; I389-T433 HydrophobicContact CG1-CG2 4.46Å; I389-T433 HydrophobicContact CG2-CG2 4.01Å; I389-W444 HydrophobicContact CG2-CD2 4.36Å; I389-W444 HydrophobicContact CG2-CE3 3.77Å; I389-W444 HydrophobicContact CG2-CZ3 4.32Å; I389-N445 WeakPolarHBondContact O-CA 3.37Å; I389-N445 PolarHBondContact O-N 3.29Å; I389-E446 PolarHBondContact N-O 2.88Å; I389-E446 PolarHBondContact O-N 3.43Å; I389-I448 HydrophobicContact CD1-CD1 3.72Å; I389-I448 HydrophobicContact CD1-CG1 4.11Å; I389-L537 HydrophobicContact CG2-CD1 4.12Å |
| 390 | Y | 96.5 | Very high | 86.4 | Confident | 11 Ų | 11 | 15.7 Ų | 15.7 | 4% | 0.043 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -64.3 | -170.9 | -56.8 | -74.5 | 0 | 0 | 0 | 110.7 | S388 W444 N445 P499 L538 A540 A559 V562 | S388-Y390 WeakPolarHBondContact CB-OH 3.25Å; Y390-W444 PolarHBondContact O-N 3.49Å; Y390-N445 PolarHBondContact O-N 3.46Å; Y390-P499 HydrophobicContact CE2-CB 4.24Å; Y390-P499 HydrophobicContact CE2-CG 4.29Å; Y390-L538 HydrophobicContact CD2-CG 4.15Å; Y390-L538 PolarHBondContact N-O 3.4Å; Y390-A540 HydrophobicContact CE2-CB 3.85Å; Y390-A559 HydrophobicContact CD1-CB 4.43Å; Y390-A559 HydrophobicContact CE1-CB 4.11Å; Y390-V562 HydrophobicContact CD1-CB 4.46Å; Y390-V562 HydrophobicContact CD1-CG1 3.93Å; Y390-V562 HydrophobicContact CD1-CG2 3.81Å; Y390-V562 HydrophobicContact CD2-CG2 4.24Å; Y390-V562 HydrophobicContact CE1-CG1 3.53Å; Y390-V562 HydrophobicContact CE1-CG2 4.28Å; Y390-V562 HydrophobicContact CE2-CG1 4.28Å; Y390-V562 HydrophobicContact CG-CG1 4.46Å; Y390-V562 HydrophobicContact CG-CG2 3.78Å |
| 391 | Q | 95.4 | Very high | 85.6 | Confident | 43 Ų | 43 | 18.5 Ų | 18.5 | 20% | 0.201 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 161.8 | -175.9 | 64.5 | -175.4 | 27.5 | 0 | 0 | 111.9 | P442 I443 W501 L538 | Q391-P442 CarbonylContact C-O 3.56Å; Q391-P442 WeakPolarHBondContact CA-O 3.45Å; Q391-P442 VanDerWaalsContact CB-O 3.29Å; Q391-P442 WeakPolarHBondContact CB-O 3.37Å; Q391-I443 HydrophobicContact CB-CB 4.33Å; Q391-I443 HydrophobicContact CB-CG1 3.94Å; Q391-I443 HydrophobicContact CB-CG2 4.42Å; Q391-W501 HydrophobicContact CG-CH2 3.94Å; Q391-L538 HydrophobicContact CG-CB 4.01Å; Q391-L538 HydrophobicContact CG-CD2 4.1Å; Q391-L538 PolarHBondContact O-N 2.63Å |
| 392 | A | 94.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 156.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L395 N441 P442 W444 R536 L537 | A392-L395 HydrophobicContact CB-CD1 3.82Å; A392-L395 HydrophobicContact CB-CD2 4.06Å; A392-L395 HydrophobicContact CB-CG 3.9Å; A392-N441 CarbonylContact O-C 3.58Å; A392-N441 WeakPolarHBondContact O-CA 3.26Å; A392-P442 HydrophobicContact CB-CG 3.82Å; A392-P442 PolarHBondContact N-O 3.48Å; A392-W444 HydrophobicContact CB-CH2 4.01Å; A392-W444 HydrophobicContact CB-CZ3 3.81Å; A392-R536 CarbonylContact C-O 3.58Å; A392-R536 WeakPolarHBondContact CA-O 3.38Å; A392-R536 VanDerWaalsContact CB-O 3.29Å; A392-R536 WeakPolarHBondContact CB-O 3.32Å; A392-L537 HydrophobicContact CB-CD1 3.89Å |
| 393 | E | 91.1 | Very high | 83.9 | Confident | 31 Ų | 31 | 22.5 Ų | 22.5 | 15% | 0.145 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 156.5 | 169.5 | -79.3 | 173.8 | -174.3 | 0 | 0 | 109.5 | L395 N441 W501 G535 R536 K570 | E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.68Å; E393-N441 WeakPolarHBondContact CA-OD1 3.47Å; E393-W501 HydrophobicContact CB-CH2 4.07Å; E393-W501 HydrophobicContact CB-CZ3 4.26Å; E393-W501 VanDerWaalsContact CD-CH2 3.49Å; E393-W501 HydrophobicContact CG-CH2 3.64Å; E393-W501 HydrophobicContact CG-CZ2 4.33Å; E393-W501 HydrophobicContact CG-CZ3 4.31Å; E393-G535 WeakPolarHBondContact O-CA 3.33Å; E393-R536 HydrophobicContact CB-CG 3.93Å; E393-R536 PolarHBondContact N-O 3.47Å; E393-R536 PolarHBondContact O-N 2.89Å; E393-R536 IonicContact OE1-NH2 3.63Å; E393-R536 IonicContact OE2-CZ 3.25Å; E393-R536 IonicContact OE2-NE 3.13Å; E393-R536 PolarHBondContact OE2-NE 3.47Å; E393-R536 IonicContact OE2-NH2 2.67Å; E393-R536 PolarHBondContact OE2-NH2 2.71Å; E393-K570 IonicContact OE1-NZ 3.83Å; E393-K570 PolarHBondContact OE1-NZ 3.18Å; E393-K570 IonicContact OE2-NZ 2.68Å; E393-K570 PolarHBondContact OE2-NZ 3.28Å |
| 394 | D | 88 | Confident | 82.6 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 63.3 | 20 | 168.3 | -51.7 | -27.7 | 0 | 0 | 0 | 116.1 | N441 R509 Y533 L604 | D394-N441 PolarHBondContact N-OD1 3.46Å; D394-R509 VanDerWaalsContact O-CZ 3.28Å; D394-R509 PolarHBondContact O-NH1 2.83Å; D394-R509 PolarHBondContact O-NH2 3.18Å; D394-Y533 HydrophobicContact CB-CE1 3.66Å; D394-Y533 VanDerWaalsContact OD2-CE1 3.29Å; D394-Y533 WeakPolarHBondContact OD2-CE1 3.34Å; D394-Y533 PolarHBondContact OD2-OH 2.85Å; D394-L604 HydrophobicContact CB-CD1 3.75Å; D394-L604 HydrophobicContact CB-CD2 4.4Å; D394-L604 HydrophobicContact CB-CG 3.81Å; D394-L604 WeakPolarHBondContact OD1-CD1 3.34Å |
| 395 | L | 90.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 141.6 | -176.7 | -61.2 | -176 | 0 | 0 | 0 | 112 | A392 E393 L418 Y440 P442 V465 L504 R509 | A392-L395 HydrophobicContact CB-CD1 3.82Å; A392-L395 HydrophobicContact CB-CD2 4.06Å; A392-L395 HydrophobicContact CB-CG 3.9Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.68Å; L395-L418 HydrophobicContact CB-CD2 3.42Å; L395-L418 VanDerWaalsContact CB-CD2 3.42Å; L395-L418 HydrophobicContact CD1-CD2 3.87Å; L395-L418 HydrophobicContact CG-CD2 4.32Å; L395-Y440 WeakPolarHBondContact CB-O 3.48Å; L395-Y440 PolarHBondContact N-O 3.14Å; L395-Y440 VanDerWaalsContact N-O 3.1Å; L395-Y440 WeakPolarHBondContact O-CD1 3.34Å; L395-P442 HydrophobicContact CD1-CG 3.79Å; L395-V465 HydrophobicContact CD1-CG1 4.23Å; L395-V465 HydrophobicContact CD2-CG1 4.38Å; L395-L504 HydrophobicContact CD2-CD1 4.19Å; L395-R509 PolarHBondContact O-NH2 2.95Å |
| 396 | P | 87.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 154.5 | -178.3 | 32.7 | -37.3 | 0 | 0 | 0 | 112.6 | I475 R509 R534 | P396-I475 HydrophobicContact CG-CG2 3.85Å; P396-R509 HydrophobicContact CB-CB 4.41Å; P396-R534 VanDerWaalsContact CD-O 3.29Å; P396-R534 WeakPolarHBondContact CD-O 3.42Å |
| 397 | P | 78.7 | Confident | 78.6 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 139.1 | 163.9 | 27.6 | -32.3 | 0 | 0 | 0 | 110.3 | Y440 R613 G614 | P397-Y440 HydrophobicContact CB-CE1 4.04Å; P397-R613 WeakPolarHBondContact CG-O 3.45Å; P397-G614 WeakPolarHBondContact CD-O 3.13Å |
| 398 | M | 78.1 | Confident | 77 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -116.7 | -9.9 | -175.4 | -76.6 | -65.4 | -61.9 | 0 | 0 | 113.7 | N417 L418 N467 E473 I475 Y511 R534 | M398-N417 PolarHBondContact N-O 2.98Å; M398-L418 HydrophobicContact CB-CD1 4.15Å; M398-L418 HydrophobicContact CG-CD1 3.85Å; M398-N467 HydrophobicContact CB-CB 3.84Å; M398-N467 WeakPolarHBondContact CB-ND2 3.36Å; M398-N467 HydrophobicContact CG-CB 4.05Å; M398-E473 HydrophobicContact CE-CB 3.73Å; M398-I475 HydrophobicContact CE-CG1 4.14Å; M398-I475 HydrophobicContact CG-CD1 4.23Å; M398-I475 HydrophobicContact CG-CG1 3.56Å; M398-I475 HydrophobicContact SD-CB 4.4Å; M398-I475 HydrophobicContact SD-CG1 3.71Å; M398-Y511 HydrophobicContact CE-CD1 4.23Å; M398-Y511 HydrophobicContact CE-CD2 4.39Å; M398-Y511 HydrophobicContact CE-CE1 3.77Å; M398-Y511 HydrophobicContact CE-CE2 4Å; M398-Y511 HydrophobicContact CE-CG 4.48Å; M398-Y511 WeakPolarHBondContact O-CD1 3.31Å; M398-Y511 HydrophobicContact SD-CD2 4.34Å; M398-Y511 HydrophobicContact SD-CE2 4.49Å; M398-Y511 HydrophobicContact SD-CG 4.34Å; M398-R534 PolarHBondContact SD-NH2 3.25Å | ||
| 399 | N | 65.5 | Low | 75.3 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | trans | -96.5 | 153.3 | -177.9 | -82.4 | -58.4 | 0 | 0 | 0 | 111 | S403 R407 N417 | N399-S403 VanDerWaalsContact CG-OG 3.22Å; N399-S403 PolarHBondContact OD1-OG 3.26Å; N399-R407 PolarHBondContact ND2-NH2 2.98Å; N399-N417 HydrophobicContact CB-CB 4.43Å; N399-N417 VanDerWaalsContact CB-ND2 3.33Å; N399-N417 WeakPolarHBondContact CB-ND2 3.21Å; N399-N417 WeakPolarHBondContact CB-OD1 3.35Å; N399-N417 PolarHBondContact ND2-OD1 3.07Å | ||
| 400 | T | 59.5 | Low | 73.6 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | trans | -96.8 | 166.5 | -174.9 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | I402 S403 D404 Y513 M516 | T400-I402 PolarHBondContact O-N 2.69Å; T400-S403 CarbonylContact O-C 3.56Å; T400-S403 WeakPolarHBondContact O-CA 3.39Å; T400-S403 WeakPolarHBondContact O-CB 3.4Å; T400-S403 PolarHBondContact O-N 2.96Å; T400-D404 PolarHBondContact O-N 3.11Å; T400-Y513 HydrophobicContact CG2-CD2 4.34Å; T400-M516 HydrophobicContact CG2-CB 4.01Å; T400-M516 HydrophobicContact CG2-CG 4.22Å; T400-M516 HydrophobicContact CG2-SD 3.61Å | ||
| 401 | E | 59.3 | Low | 71.9 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -53.2 | -24 | -178.7 | -63.2 | -168.3 | 170.8 | 0 | 0 | 115 | K405 R613 | E401-K405 VanDerWaalsContact O-CG 3.27Å; E401-K405 WeakPolarHBondContact O-CG 3.08Å; E401-K405 PolarHBondContact O-N 3Å; E401-K405 VanDerWaalsContact O-N 3.11Å; E401-R613 IonicContact OE1-NH1 3.37Å |
| 402 | I | 61.7 | Low | 70 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -76.1 | -44.9 | 174.2 | -56.8 | 174.4 | 0 | 0 | 0 | 110.3 | T400 K405 I406 | T400-I402 PolarHBondContact O-N 2.69Å; I402-K405 PolarHBondContact O-N 2.91Å; I402-I406 HydrophobicContact CG2-CD1 4.22Å; I402-I406 WeakPolarHBondContact O-CG1 3.28Å; I402-I406 PolarHBondContact O-N 2.8Å |
| 403 | S | 61.8 | Low | 68.4 | Low | 30 Ų | 30 | 60.4 Ų | 60.4 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | N399 T400 R407 | N399-S403 VanDerWaalsContact CG-OG 3.22Å; N399-S403 PolarHBondContact OD1-OG 3.26Å; T400-S403 CarbonylContact O-C 3.56Å; T400-S403 WeakPolarHBondContact O-CA 3.39Å; T400-S403 WeakPolarHBondContact O-CB 3.4Å; T400-S403 PolarHBondContact O-N 2.96Å; S403-R407 WeakPolarHBondContact O-CB 3.08Å; S403-R407 PolarHBondContact O-N 3.04Å |
| 404 | D | 60.3 | Low | 67 | Low | 53 Ų | 53 | 66.5 Ų | 66.5 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.1 | -55.8 | 166.4 | -78.9 | -62.9 | 0 | 0 | 0 | 111.5 | T400 I406 R407 K408 N417 | T400-D404 PolarHBondContact O-N 3.11Å; D404-I406 VanDerWaalsContact C-N 3.3Å; D404-I406 PolarHBondContact O-N 3Å; D404-R407 PolarHBondContact O-N 3.47Å; D404-R407 VanDerWaalsContact O-N 3.16Å; D404-K408 WeakPolarHBondContact O-CB 3.26Å; D404-K408 VanDerWaalsContact O-CG 3.29Å; D404-K408 WeakPolarHBondContact O-CG 3.21Å; D404-K408 PolarHBondContact O-N 3.12Å; D404-N417 PolarHBondContact OD1-ND2 3.11Å |
| 405 | K | 66.4 | Low | 66 | Low | 149 Ų | 149 | 67.4 Ų | 67.4 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.5 | -42.6 | -177.7 | -77.6 | 168.3 | -176.5 | 172.5 | 0 | 112.2 | E401 I402 A409 | E401-K405 VanDerWaalsContact O-CG 3.27Å; E401-K405 WeakPolarHBondContact O-CG 3.08Å; E401-K405 PolarHBondContact O-N 3Å; E401-K405 VanDerWaalsContact O-N 3.11Å; I402-K405 PolarHBondContact O-N 2.91Å; K405-A409 PolarHBondContact O-N 3.14Å |
| 406 | I | 63.1 | Low | 65 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.5 | -48.7 | 175.9 | -64.5 | 166.8 | 0 | 0 | 0 | 110.5 | I402 D404 K408 A409 F410 | I402-I406 HydrophobicContact CG2-CD1 4.22Å; I402-I406 WeakPolarHBondContact O-CG1 3.28Å; I402-I406 PolarHBondContact O-N 2.8Å; D404-I406 VanDerWaalsContact C-N 3.3Å; D404-I406 PolarHBondContact O-N 3Å; I406-K408 PolarHBondContact O-N 2.99Å; I406-A409 PolarHBondContact O-N 2.75Å; I406-F410 HydrophobicContact CG2-CD2 4.12Å; I406-F410 HydrophobicContact CG2-CE2 4.29Å; I406-F410 WeakPolarHBondContact O-CD2 3.29Å; I406-F410 PolarHBondContact O-N 3.48Å |
| 407 | R | 61 | Low | 64.5 | Low | 33 Ų | 33 | 69.5 Ų | 69.5 | 13% | 0.125 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | -178.9 | -173.9 | 175.5 | -68.5 | -132.3 | -6.7 | 111.9 | N399 S403 D404 A409 F410 V411 N417 D419 Y438 | N399-R407 PolarHBondContact ND2-NH2 2.98Å; S403-R407 WeakPolarHBondContact O-CB 3.08Å; S403-R407 PolarHBondContact O-N 3.04Å; D404-R407 PolarHBondContact O-N 3.47Å; D404-R407 VanDerWaalsContact O-N 3.16Å; R407-A409 VanDerWaalsContact C-N 3.3Å; R407-A409 PolarHBondContact O-N 2.95Å; R407-F410 PolarHBondContact O-N 2.8Å; R407-F410 VanDerWaalsContact O-N 3.12Å; R407-V411 HydrophobicContact CG-CB 4.49Å; R407-V411 HydrophobicContact CG-CG2 3.99Å; R407-V411 WeakPolarHBondContact O-CG2 3.49Å; R407-V411 PolarHBondContact O-N 2.92Å; R407-N417 VanDerWaalsContact CD-OD1 3.24Å; R407-N417 WeakPolarHBondContact CD-OD1 3.12Å; R407-N417 VanDerWaalsContact CZ-OD1 3.26Å; R407-N417 PolarHBondContact NE-OD1 2.88Å; R407-D419 IonicContact CZ-OD1 3.21Å; R407-D419 IonicContact CZ-OD2 3.48Å; R407-D419 VanDerWaalsContact NH1-CG 3.35Å; R407-D419 IonicContact NH1-OD1 3.03Å; R407-D419 PolarHBondContact NH1-OD1 3.07Å; R407-D419 IonicContact NH1-OD2 2.72Å; R407-D419 PolarHBondContact NH1-OD2 3.49Å; R407-D419 IonicContact NH2-OD1 2.81Å; R407-D419 IonicContact NH2-OD2 3.38Å; R407-D419 PolarHBondContact NH2-OD2 3.47Å; R407-Y438 HydrophobicContact CG-CE1 4.24Å |
| 408 | K | 63.1 | Low | 64.8 | Low | 86 Ų | 86 | 68.9 Ų | 68.9 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 175.9 | -73.5 | -168.4 | 167.8 | -147.9 | 0 | 112.5 | D404 I406 F410 G412 E413 | D404-K408 WeakPolarHBondContact O-CB 3.26Å; D404-K408 VanDerWaalsContact O-CG 3.29Å; D404-K408 WeakPolarHBondContact O-CG 3.21Å; D404-K408 PolarHBondContact O-N 3.12Å; I406-K408 PolarHBondContact O-N 2.99Å; K408-F410 VanDerWaalsContact C-N 3.29Å; K408-F410 PolarHBondContact O-N 2.75Å; K408-G412 WeakPolarHBondContact O-CA 3.48Å; K408-G412 PolarHBondContact O-N 2.8Å; K408-E413 HydrophobicContact CD-CB 4.44Å; K408-E413 HydrophobicContact CD-CG 4.43Å; K408-E413 WeakPolarHBondContact CE-O 3.45Å; K408-E413 PolarHBondContact NZ-O 2.87Å; K408-E413 IonicContact NZ-OE1 3.89Å; K408-E413 PolarHBondContact NZ-OE1 2.96Å |
| 409 | A | 61.2 | Low | 65.2 | Low | 86 Ų | 86 | 69.6 Ų | 69.6 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.2 | -23.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K405 I406 R407 | K405-A409 PolarHBondContact O-N 3.14Å; I406-A409 PolarHBondContact O-N 2.75Å; R407-A409 VanDerWaalsContact C-N 3.3Å; R407-A409 PolarHBondContact O-N 2.95Å |
| 410 | F | 61.9 | Low | 66.5 | Low | 177 Ų | 177 | 68.7 Ų | 68.7 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -104.4 | -24.9 | -179.3 | -80.5 | -72.8 | 0 | 0 | 0 | 115.1 | I406 R407 K408 | I406-F410 HydrophobicContact CG2-CD2 4.12Å; I406-F410 HydrophobicContact CG2-CE2 4.29Å; I406-F410 WeakPolarHBondContact O-CD2 3.29Å; I406-F410 PolarHBondContact O-N 3.48Å; R407-F410 PolarHBondContact O-N 2.8Å; R407-F410 VanDerWaalsContact O-N 3.12Å; K408-F410 VanDerWaalsContact C-N 3.29Å; K408-F410 PolarHBondContact O-N 2.75Å |
| 411 | V | 60.3 | Low | 68.2 | Low | 58 Ų | 58 | 68.8 Ų | 68.8 | 35% | 0.352 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -129.8 | -12 | -170.2 | -150.9 | 0 | 0 | 0 | 0 | 113.4 | R407 T415 Y438 | R407-V411 HydrophobicContact CG-CB 4.49Å; R407-V411 HydrophobicContact CG-CG2 3.99Å; R407-V411 WeakPolarHBondContact O-CG2 3.49Å; R407-V411 PolarHBondContact O-N 2.92Å; V411-T415 HydrophobicContact CB-CG2 4.3Å; V411-T415 HydrophobicContact CG1-CG2 3.9Å; V411-T415 WeakPolarHBondContact O-CG2 3.45Å; V411-Y438 HydrophobicContact CB-CE1 4.49Å; V411-Y438 HydrophobicContact CG1-CE1 4.13Å; V411-Y438 HydrophobicContact CG1-CE2 4.41Å; V411-Y438 HydrophobicContact CG2-CE1 4.02Å |
| 412 | G | 57 | Low | 70 | Confident | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | trans | 103.7 | 165.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K408 N414 | K408-G412 WeakPolarHBondContact O-CA 3.48Å; K408-G412 PolarHBondContact O-N 2.8Å; G412-N414 PolarHBondContact O-N 2.82Å | ||
| 413 | E | 60 | Low | 71.5 | Confident | 140 Ų | 140 | 59.5 Ų | 59.5 | 65% | 0.654 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.1 | -164 | -65.8 | -144.3 | 92.1 | 0 | 0 | 116.5 | K408 | K408-E413 HydrophobicContact CD-CB 4.44Å; K408-E413 HydrophobicContact CD-CG 4.43Å; K408-E413 WeakPolarHBondContact CE-O 3.45Å; K408-E413 PolarHBondContact NZ-O 2.87Å; K408-E413 IonicContact NZ-OE1 3.89Å; K408-E413 PolarHBondContact NZ-OE1 2.96Å |
| 414 | N | 61.7 | Low | 73.2 | Confident | 160 Ų | 160 | 58.1 Ų | 58.1 | 86% | 0.856 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 2.9 | -169.5 | -70.4 | -13.4 | 0 | 0 | 0 | 114.3 | G412 | G412-N414 PolarHBondContact O-N 2.82Š|
| 415 | T | 67.1 | Low | 74.7 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -73.6 | 134.1 | -177.7 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | V411 | V411-T415 HydrophobicContact CB-CG2 4.3Å; V411-T415 HydrophobicContact CG1-CG2 3.9Å; V411-T415 WeakPolarHBondContact O-CG2 3.45Å |
| 416 | P | 70.1 | Confident | 75.8 | Confident | 41 Ų | 41 | 50 Ų | 50 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | trans | -54.9 | 140.8 | 175.2 | -27 | 35.2 | 0 | 0 | 0 | 112.9 | L418 Y438 Y440 | P416-L418 PolarHBondContact O-N 3.22Å; P416-Y438 WeakPolarHBondContact CB-O 3.49Å; P416-Y438 WeakPolarHBondContact CD-O 3.27Å; P416-Y438 VanDerWaalsContact CG-O 3.24Å; P416-Y438 WeakPolarHBondContact CG-O 3.46Å; P416-Y438 WeakPolarHBondContact O-CA 3.48Å; P416-Y440 HydrophobicContact CB-CD1 4.28Å; P416-Y440 HydrophobicContact CB-CD2 3.93Å; P416-Y440 HydrophobicContact CB-CE1 4Å; P416-Y440 HydrophobicContact CB-CE2 3.65Å; P416-Y440 HydrophobicContact CB-CG 4.24Å; P416-Y440 HydrophobicContact CG-CD2 4.43Å; P416-Y440 HydrophobicContact CG-CE2 4.29Å | ||
| 417 | N | 76.7 | Confident | 76.7 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -102.5 | 54.7 | -171 | -155.1 | -5.7 | 0 | 0 | 0 | 112.9 | M398 N399 D404 R407 Y440 | M398-N417 PolarHBondContact N-O 2.98Å; N399-N417 HydrophobicContact CB-CB 4.43Å; N399-N417 VanDerWaalsContact CB-ND2 3.33Å; N399-N417 WeakPolarHBondContact CB-ND2 3.21Å; N399-N417 WeakPolarHBondContact CB-OD1 3.35Å; N399-N417 PolarHBondContact ND2-OD1 3.07Å; D404-N417 PolarHBondContact OD1-ND2 3.11Å; R407-N417 VanDerWaalsContact CD-OD1 3.24Å; R407-N417 WeakPolarHBondContact CD-OD1 3.12Å; R407-N417 VanDerWaalsContact CZ-OD1 3.26Å; R407-N417 PolarHBondContact NE-OD1 2.88Å; N417-Y440 PolarHBondContact N-OH 2.68Å |
| 418 | L | 84.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -147.5 | 130.7 | 178.9 | 177.6 | 65 | 0 | 0 | 0 | 110.5 | L395 M398 P416 Y438 N439 Y440 N467 I475 | L395-L418 HydrophobicContact CB-CD2 3.42Å; L395-L418 VanDerWaalsContact CB-CD2 3.42Å; L395-L418 HydrophobicContact CD1-CD2 3.87Å; L395-L418 HydrophobicContact CG-CD2 4.32Å; M398-L418 HydrophobicContact CB-CD1 4.15Å; M398-L418 HydrophobicContact CG-CD1 3.85Å; P416-L418 PolarHBondContact O-N 3.22Å; L418-Y438 WeakPolarHBondContact O-CA 3.34Å; L418-Y438 PolarHBondContact O-N 2.71Å; L418-N439 PolarHBondContact O-N 2.91Å; L418-Y440 HydrophobicContact CB-CD1 3.77Å; L418-Y440 HydrophobicContact CB-CE1 3.8Å; L418-Y440 HydrophobicContact CD2-CD1 4.02Å; L418-N467 HydrophobicContact CD1-CB 4.08Å; L418-I475 HydrophobicContact CD1-CD1 3.81Å | ||
| 419 | D | 87.5 | Confident | 78.7 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 83.8 | 173.2 | -56.5 | -29.5 | 0 | 0 | 0 | 108.8 | R407 T435 E436 K437 Y438 N467 G468 | R407-D419 IonicContact CZ-OD1 3.21Å; R407-D419 IonicContact CZ-OD2 3.48Å; R407-D419 VanDerWaalsContact NH1-CG 3.35Å; R407-D419 IonicContact NH1-OD1 3.03Å; R407-D419 PolarHBondContact NH1-OD1 3.07Å; R407-D419 IonicContact NH1-OD2 2.72Å; R407-D419 PolarHBondContact NH1-OD2 3.49Å; R407-D419 IonicContact NH2-OD1 2.81Å; R407-D419 IonicContact NH2-OD2 3.38Å; R407-D419 PolarHBondContact NH2-OD2 3.47Å; D419-T435 HydrophobicContact CB-CG2 3.84Å; D419-T435 WeakPolarHBondContact O-CG2 3.47Å; D419-E436 CarbonylContact C-O 3.42Å; D419-E436 VanDerWaalsContact C-O 3.3Å; D419-E436 VanDerWaalsContact CA-O 3.32Å; D419-E436 WeakPolarHBondContact CA-O 3.45Å; D419-K437 HydrophobicContact CB-CG 4.27Å; D419-Y438 PolarHBondContact OD1-N 2.99Å; D419-Y438 VanDerWaalsContact OD1-N 3.13Å; D419-N467 PolarHBondContact N-OD1 2.8Å; D419-N467 CarbonylContact O-C 3.6Å; D419-N467 WeakPolarHBondContact O-CA 3.49Å; D419-N467 PolarHBondContact O-OD1 3.45Å; D419-G468 PolarHBondContact O-N 2.68Å |
| 420 | S | 92.1 | Very high | 80 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 144.7 | -162.8 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | T435 E436 P442 R466 | S420-T435 CarbonylContact O-C 3.52Å; S420-T435 WeakPolarHBondContact O-CA 3.35Å; S420-E436 PolarHBondContact N-O 3.43Å; S420-E436 PolarHBondContact O-N 2.98Å; S420-P442 WeakPolarHBondContact OG-CB 3.5Å; S420-P442 VanDerWaalsContact OG-CG 3.3Å; S420-P442 WeakPolarHBondContact OG-CG 3.32Å; S420-R466 CarbonylContact C-O 3.58Å; S420-R466 WeakPolarHBondContact CA-O 3.47Å |
| 421 | Y | 94.9 | Very high | 81.5 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 158.7 | 166.1 | 69.7 | -87.9 | 0 | 0 | 0 | 111 | E423 R432 T435 R466 | Y421-E423 HydrophobicContact CD2-CB 4.49Å; Y421-E423 HydrophobicContact CE2-CB 4.18Å; Y421-R432 HydrophobicContact CD2-CB 3.9Å; Y421-R432 HydrophobicContact CD2-CG 4.44Å; Y421-R432 HydrophobicContact CE2-CB 4.23Å; Y421-T435 HydrophobicContact CD1-CG2 4.5Å; Y421-R466 HydrophobicContact CD1-CB 4.15Å; Y421-R466 HydrophobicContact CD2-CB 4.35Å; Y421-R466 HydrophobicContact CE1-CB 3.67Å; Y421-R466 HydrophobicContact CE2-CB 3.91Å; Y421-R466 HydrophobicContact CE2-CG 4.39Å; Y421-R466 HydrophobicContact CG-CB 4.48Å; Y421-R466 PolarHBondContact N-O 3.07Å; Y421-R466 PolarHBondContact O-N 2.91Å; Y421-R466 WeakPolarHBondContact OH-CD 3.39Å |
| 422 | V | 96.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.3 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 109 | I389 V424 R432 T433 W444 I463 V465 L537 | I389-V422 HydrophobicContact CD1-CB 4.13Å; I389-V422 HydrophobicContact CD1-CG1 3.92Å; I389-V422 HydrophobicContact CG2-CB 4.21Å; I389-V422 HydrophobicContact CG2-CG2 3.95Å; V422-V424 HydrophobicContact CG1-CG2 4.08Å; V422-R432 CarbonylContact O-C 3.56Å; V422-R432 WeakPolarHBondContact O-CA 3.11Å; V422-R432 WeakPolarHBondContact O-CB 3.21Å; V422-T433 HydrophobicContact CB-CG2 4.12Å; V422-T433 PolarHBondContact N-OG1 3.04Å; V422-T433 PolarHBondContact O-N 3.41Å; V422-W444 HydrophobicContact CG2-CE3 4.22Å; V422-W444 HydrophobicContact CG2-CH2 3.56Å; V422-W444 HydrophobicContact CG2-CZ2 3.95Å; V422-W444 HydrophobicContact CG2-CZ3 3.71Å; V422-I463 HydrophobicContact CG1-CG2 3.72Å; V422-V465 HydrophobicContact CG2-CG2 4.45Å; V422-L537 HydrophobicContact CG1-CD2 4.04Å; V422-L537 HydrophobicContact CG2-CD1 3.86Å; V422-L537 HydrophobicContact CG2-CD2 4.07Å |
| 423 | E | 95 | Very high | 84.9 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.3 | 175.8 | 168.6 | -174.6 | -78.8 | 0 | 0 | 108.2 | Y421 T430 A431 R432 N464 R466 | Y421-E423 HydrophobicContact CD2-CB 4.49Å; Y421-E423 HydrophobicContact CE2-CB 4.18Å; E423-T430 HydrophobicContact CG-CG2 3.8Å; E423-A431 WeakPolarHBondContact CA-O 3.19Å; E423-R432 HydrophobicContact CB-CB 4.41Å; E423-N464 HydrophobicContact CB-CB 4.22Å; E423-N464 PolarHBondContact N-O 3.21Å; E423-N464 PolarHBondContact O-N 3.01Å; E423-N464 PolarHBondContact OE2-ND2 3.22Å; E423-R466 IonicContact OE1-CZ 2.84Å; E423-R466 IonicContact OE1-NE 3.18Å; E423-R466 PolarHBondContact OE1-NE 2.89Å; E423-R466 VanDerWaalsContact OE1-NE 3.16Å; E423-R466 IonicContact OE1-NH2 3.19Å; E423-R466 IonicContact OE2-CZ 2.77Å; E423-R466 VanDerWaalsContact OE2-CZ 3.26Å; E423-R466 IonicContact OE2-NE 3.71Å; E423-R466 PolarHBondContact OE2-NE 3.15Å; E423-R466 IonicContact OE2-NH2 3.4Å; E423-R466 PolarHBondContact OE2-NH2 3.26Å |
| 424 | V | 96.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.7 | 179.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | V387 I389 V422 T430 A431 I448 F450 I461 R462 I463 | V387-V424 HydrophobicContact CG1-CG1 4.39Å; V387-V424 HydrophobicContact CG1-CG2 4.31Å; I389-V424 HydrophobicContact CD1-CG2 3.82Å; V422-V424 HydrophobicContact CG1-CG2 4.08Å; V424-T430 WeakPolarHBondContact O-CA 3.22Å; V424-A431 PolarHBondContact N-O 2.85Å; V424-A431 PolarHBondContact O-N 2.93Å; V424-I448 HydrophobicContact CB-CD1 4.23Å; V424-I448 HydrophobicContact CG2-CD1 4.1Å; V424-F450 HydrophobicContact CB-CE2 4.17Å; V424-F450 HydrophobicContact CB-CZ 3.96Å; V424-F450 HydrophobicContact CG1-CE2 3.73Å; V424-F450 HydrophobicContact CG1-CZ 3.69Å; V424-I461 HydrophobicContact CG1-CG2 3.96Å; V424-R462 CarbonylContact C-O 3.58Å; V424-R462 WeakPolarHBondContact CA-O 3.28Å; V424-I463 HydrophobicContact CG1-CG1 4.46Å; V424-I463 HydrophobicContact CG2-CG1 4.39Å; V424-I463 HydrophobicContact CG2-CG2 4.47Å |
| 425 | S | 91.7 | Very high | 87.7 | Confident | 24 Ų | 24 | 30 Ų | 30 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.3 | 173.7 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | H429 T430 R462 | S425-H429 CarbonylContact C-O 3.56Å; S425-H429 WeakPolarHBondContact CA-O 3.42Å; S425-T430 WeakPolarHBondContact CB-OG1 3.26Å; S425-T430 VanDerWaalsContact OG-CG2 3.3Å; S425-T430 WeakPolarHBondContact OG-CG2 3.33Å; S425-T430 PolarHBondContact OG-OG1 2.83Å; S425-R462 PolarHBondContact N-O 2.79Å; S425-R462 PolarHBondContact O-N 3.25Å |
| 426 | Y | 90.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 143.1 | 178.5 | 168.3 | -126.2 | 0 | 0 | 0 | 109.3 | M385 G428 H429 F450 S456 I461 I482 | M385-Y426 HydrophobicContact CB-CE1 4.44Å; M385-Y426 HydrophobicContact CE-CD1 4.29Å; M385-Y426 HydrophobicContact CE-CE1 3.54Å; M385-Y426 HydrophobicContact CE-CE2 4.47Å; M385-Y426 HydrophobicContact SD-CD1 3.86Å; M385-Y426 HydrophobicContact SD-CE1 3.72Å; M385-Y426 HydrophobicContact SD-CG 4.49Å; Y426-G428 PolarHBondContact O-N 2.98Å; Y426-G428 VanDerWaalsContact O-N 3.09Å; Y426-H429 PolarHBondContact N-O 3.11Å; Y426-H429 WeakPolarHBondContact O-CA 3.35Å; Y426-H429 WeakPolarHBondContact O-CB 3.32Å; Y426-H429 PolarHBondContact O-N 3.01Å; Y426-F450 HydrophobicContact CD1-CB 3.84Å; Y426-F450 HydrophobicContact CD1-CD1 4.14Å; Y426-F450 AromaticContact CD1-CG 3.99Å; Y426-F450 HydrophobicContact CD1-CG 3.99Å; Y426-F450 HydrophobicContact CE1-CB 4.42Å; Y426-S456 WeakPolarHBondContact OH-CB 3.47Å; Y426-I461 HydrophobicContact CD2-CG1 3.91Å; Y426-I461 HydrophobicContact CG-CG1 4.17Å; Y426-I482 HydrophobicContact CD2-CD1 3.95Å; Y426-I482 HydrophobicContact CE2-CD1 3.37Å |
| 427 | A | 82.2 | Confident | 89.4 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 29.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H429 D452 S456 T458 | A427-H429 PolarHBondContact O-N 2.83Å; A427-H429 PolarHBondContact O-ND1 2.91Å; A427-D452 HydrophobicContact CB-CB 4.3Å; A427-D452 VanDerWaalsContact CB-OD2 3.23Å; A427-D452 WeakPolarHBondContact CB-OD2 3.19Å; A427-S456 WeakPolarHBondContact CB-OG 2.94Å; A427-T458 VanDerWaalsContact CA-OG1 3.27Å; A427-T458 WeakPolarHBondContact CA-OG1 3.37Å; A427-T458 PolarHBondContact N-OG1 3.34Å; A427-T458 VanDerWaalsContact N-OG1 3.1Å |
| 428 | G | 78.7 | Confident | 89.6 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -0.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R278 Y426 | R278-G428 PolarHBondContact NH1-O 2.78Å; R278-G428 PolarHBondContact NH2-O 2.78Å; Y426-G428 PolarHBondContact O-N 2.98Å; Y426-G428 VanDerWaalsContact O-N 3.09Å |
| 429 | H | 86.9 | Confident | 89.6 | Confident | 28 Ų | 28 | 41.2 Ų | 41.2 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 148.4 | 169 | -60.6 | 104.9 | 0 | 0 | 0 | 110.4 | S425 Y426 A427 F450 D452 I552 T554 | S425-H429 CarbonylContact C-O 3.56Å; S425-H429 WeakPolarHBondContact CA-O 3.42Å; Y426-H429 PolarHBondContact N-O 3.11Å; Y426-H429 WeakPolarHBondContact O-CA 3.35Å; Y426-H429 WeakPolarHBondContact O-CB 3.32Å; Y426-H429 PolarHBondContact O-N 3.01Å; A427-H429 PolarHBondContact O-N 2.83Å; A427-H429 PolarHBondContact O-ND1 2.91Å; H429-F450 HydrophobicContact CB-CD1 3.96Å; H429-F450 HydrophobicContact CB-CE1 4.07Å; H429-D452 IonicContact CE1-OD2 3.51Å; H429-D452 PolarHBondContact CE1-OD2 3.3Å; H429-D452 VanDerWaalsContact CE1-OD2 3.24Å; H429-D452 IonicContact ND1-OD2 2.72Å; H429-D452 PolarHBondContact ND1-OD2 2.99Å; H429-I552 VanDerWaalsContact CE1-CG2 3.47Å; H429-I552 WeakPolarHBondContact CE1-CG2 3.43Å; H429-T554 HydrophobicContact CB-CG2 3.98Å |
| 430 | T | 89 | Confident | 89.5 | Confident | 75 Ų | 75 | 42.7 Ų | 42.7 | 46% | 0.46 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 135.9 | 177 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | E423 V424 S425 | E423-T430 HydrophobicContact CG-CG2 3.8Å; V424-T430 WeakPolarHBondContact O-CA 3.22Å; S425-T430 WeakPolarHBondContact CB-OG1 3.26Å; S425-T430 VanDerWaalsContact OG-CG2 3.3Å; S425-T430 WeakPolarHBondContact OG-CG2 3.33Å; S425-T430 PolarHBondContact OG-OG1 2.83Å |
| 431 | A | 91.6 | Very high | 89.4 | Confident | 22 Ų | 22 | 46 Ų | 46 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 170 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E423 V424 I448 T554 | E423-A431 WeakPolarHBondContact CA-O 3.19Å; V424-A431 PolarHBondContact N-O 2.85Å; V424-A431 PolarHBondContact O-N 2.93Å; A431-I448 HydrophobicContact CB-CD1 4.39Å; A431-I448 HydrophobicContact CB-CG2 3.63Å; A431-T554 HydrophobicContact CB-CG2 3.75Å |
| 432 | R | 94 | Very high | 89.4 | Confident | 143 Ų | 143 | 45.4 Ų | 45.4 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154 | -175.1 | 63.8 | 176.9 | 179.1 | -179.6 | 0 | 115.5 | Y421 V422 E423 K556 | Y421-R432 HydrophobicContact CD2-CB 3.9Å; Y421-R432 HydrophobicContact CD2-CG 4.44Å; Y421-R432 HydrophobicContact CE2-CB 4.23Å; V422-R432 CarbonylContact O-C 3.56Å; V422-R432 WeakPolarHBondContact O-CA 3.11Å; V422-R432 WeakPolarHBondContact O-CB 3.21Å; E423-R432 HydrophobicContact CB-CB 4.41Å; R432-K556 PolarHBondContact O-NZ 3.01Å; R432-K556 VanDerWaalsContact O-NZ 3.13Å |
| 433 | T | 95.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | trans | -68.8 | 173.7 | 170.5 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | I389 V422 W444 E446 | I389-T433 HydrophobicContact CB-CG2 4.09Å; I389-T433 HydrophobicContact CD1-CG2 3.59Å; I389-T433 HydrophobicContact CG1-CG2 4.46Å; I389-T433 HydrophobicContact CG2-CG2 4.01Å; V422-T433 HydrophobicContact CB-CG2 4.12Å; V422-T433 PolarHBondContact N-OG1 3.04Å; V422-T433 PolarHBondContact O-N 3.41Å; T433-W444 HydrophobicContact CG2-CB 4.38Å; T433-W444 HydrophobicContact CG2-CG 4.13Å; T433-W444 PolarHBondContact OG1-NE1 2.97Å; T433-E446 VanDerWaalsContact C-OE2 3.32Å; T433-E446 WeakPolarHBondContact CA-OE2 3.18Å; T433-E446 VanDerWaalsContact CB-OE2 3.3Å; T433-E446 WeakPolarHBondContact CB-OE2 3.45Å; T433-E446 HydrophobicContact CG2-CB 4.42Å | ||
| 434 | K | 90.9 | Very high | 89.2 | Confident | 115 Ų | 115 | 49.1 Ų | 49.1 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | trans | -63.5 | 155.2 | 164.3 | -72.6 | -176.3 | -162.8 | 88.9 | 0 | 109.2 | E436 W444 E446 K556 | K434-E436 PolarHBondContact O-N 2.7Å; K434-W444 VanDerWaalsContact O-CD1 3.22Å; K434-W444 PolarHBondContact O-NE1 3.28Å; K434-E446 WeakPolarHBondContact CE-OE1 3.48Å; K434-E446 WeakPolarHBondContact CG-OE1 3.32Å; K434-E446 PolarHBondContact N-OE2 2.58Å; K434-E446 IonicContact NZ-OE1 3.44Å; K434-E446 PolarHBondContact NZ-OE1 3.33Å; K434-K556 VanDerWaalsContact N-NZ 3.1Å | ||
| 435 | T | 90.2 | Very high | 89.2 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | trans | -85.8 | 106.7 | 171.9 | -52 | 0 | 0 | 0 | 0 | 109.2 | D419 S420 Y421 | D419-T435 HydrophobicContact CB-CG2 3.84Å; D419-T435 WeakPolarHBondContact O-CG2 3.47Å; S420-T435 CarbonylContact O-C 3.52Å; S420-T435 WeakPolarHBondContact O-CA 3.35Å; Y421-T435 HydrophobicContact CD1-CG2 4.5Å | ||
| 436 | E | 89.5 | Confident | 89.4 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.8 | 172 | -71.5 | -50.9 | 128.5 | 0 | 0 | 108.8 | D419 S420 K434 P442 W444 | D419-E436 CarbonylContact C-O 3.42Å; D419-E436 VanDerWaalsContact C-O 3.3Å; D419-E436 VanDerWaalsContact CA-O 3.32Å; D419-E436 WeakPolarHBondContact CA-O 3.45Å; S420-E436 PolarHBondContact N-O 3.43Å; S420-E436 PolarHBondContact O-N 2.98Å; K434-E436 PolarHBondContact O-N 2.7Å; E436-P442 HydrophobicContact CB-CB 3.83Å; E436-P442 HydrophobicContact CG-CB 4.25Å; E436-W444 HydrophobicContact CG-CG 4.37Å |
| 437 | K | 84.2 | Confident | 89.7 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 147.4 | -171 | -61.4 | -172.8 | 178.4 | -177.7 | 0 | 111.8 | D419 N439 | D419-K437 HydrophobicContact CB-CG 4.27Å; K437-N439 VanDerWaalsContact C-N 3.31Å; K437-N439 PolarHBondContact O-N 3.34Å |
| 438 | Y | 80.4 | Confident | 90.4 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 54.8 | 40.7 | 175.2 | -39.4 | -74.5 | 0 | 0 | 0 | 114.1 | R407 V411 P416 L418 D419 | R407-Y438 HydrophobicContact CG-CE1 4.24Å; V411-Y438 HydrophobicContact CB-CE1 4.49Å; V411-Y438 HydrophobicContact CG1-CE1 4.13Å; V411-Y438 HydrophobicContact CG1-CE2 4.41Å; V411-Y438 HydrophobicContact CG2-CE1 4.02Å; P416-Y438 WeakPolarHBondContact CB-O 3.49Å; P416-Y438 WeakPolarHBondContact CD-O 3.27Å; P416-Y438 VanDerWaalsContact CG-O 3.24Å; P416-Y438 WeakPolarHBondContact CG-O 3.46Å; P416-Y438 WeakPolarHBondContact O-CA 3.48Å; L418-Y438 WeakPolarHBondContact O-CA 3.34Å; L418-Y438 PolarHBondContact O-N 2.71Å; D419-Y438 PolarHBondContact OD1-N 2.99Å; D419-Y438 VanDerWaalsContact OD1-N 3.13Å |
| 439 | N | 84.1 | Confident | 91 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | trans | -145 | 129.5 | -178.8 | -168.5 | 0.3 | 0 | 0 | 0 | 113.1 | L418 K437 N441 | L418-N439 PolarHBondContact O-N 2.91Å; K437-N439 VanDerWaalsContact C-N 3.31Å; K437-N439 PolarHBondContact O-N 3.34Å; N439-N441 PolarHBondContact ND2-O 3Å; N439-N441 WeakPolarHBondContact OD1-CA 3.48Å; N439-N441 PolarHBondContact OD1-N 3.24Å; N439-N441 PolarHBondContact OD1-O 3.39Å | ||
| 440 | Y | 86 | Confident | 91.2 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 18% | 0.18 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -86.3 | -19.3 | 173.2 | -57.9 | -46.1 | 0 | 0 | 0 | 113.5 | L395 P397 P416 N417 L418 P442 | L395-Y440 WeakPolarHBondContact CB-O 3.48Å; L395-Y440 PolarHBondContact N-O 3.14Å; L395-Y440 VanDerWaalsContact N-O 3.1Å; L395-Y440 WeakPolarHBondContact O-CD1 3.34Å; P397-Y440 HydrophobicContact CB-CE1 4.04Å; P416-Y440 HydrophobicContact CB-CD1 4.28Å; P416-Y440 HydrophobicContact CB-CD2 3.93Å; P416-Y440 HydrophobicContact CB-CE1 4Å; P416-Y440 HydrophobicContact CB-CE2 3.65Å; P416-Y440 HydrophobicContact CB-CG 4.24Å; P416-Y440 HydrophobicContact CG-CD2 4.43Å; P416-Y440 HydrophobicContact CG-CE2 4.29Å; N417-Y440 PolarHBondContact N-OH 2.68Å; L418-Y440 HydrophobicContact CB-CD1 3.77Å; L418-Y440 HydrophobicContact CB-CE1 3.8Å; L418-Y440 HydrophobicContact CD2-CD1 4.02Å; Y440-P442 VanDerWaalsContact O-CD 3.28Å; Y440-P442 WeakPolarHBondContact O-CD 3.47Å |
| 441 | N | 90.3 | Very high | 91.1 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -118.8 | 63.1 | 176.8 | -58.2 | -41.4 | 0 | 0 | 0 | 109.9 | A392 E393 D394 N439 | A392-N441 CarbonylContact O-C 3.58Å; A392-N441 WeakPolarHBondContact O-CA 3.26Å; E393-N441 WeakPolarHBondContact CA-OD1 3.47Å; D394-N441 PolarHBondContact N-OD1 3.46Å; N439-N441 PolarHBondContact ND2-O 3Å; N439-N441 WeakPolarHBondContact OD1-CA 3.48Å; N439-N441 PolarHBondContact OD1-N 3.24Å; N439-N441 PolarHBondContact OD1-O 3.39Å |
| 442 | P | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -67.6 | 141.2 | -174.4 | 32.1 | -40.4 | 0 | 0 | 0 | 112.1 | Q391 A392 L395 S420 E436 Y440 W444 | Q391-P442 CarbonylContact C-O 3.56Å; Q391-P442 WeakPolarHBondContact CA-O 3.45Å; Q391-P442 VanDerWaalsContact CB-O 3.29Å; Q391-P442 WeakPolarHBondContact CB-O 3.37Å; A392-P442 HydrophobicContact CB-CG 3.82Å; A392-P442 PolarHBondContact N-O 3.48Å; L395-P442 HydrophobicContact CD1-CG 3.79Å; S420-P442 WeakPolarHBondContact OG-CB 3.5Å; S420-P442 VanDerWaalsContact OG-CG 3.3Å; S420-P442 WeakPolarHBondContact OG-CG 3.32Å; E436-P442 HydrophobicContact CB-CB 3.83Å; E436-P442 HydrophobicContact CG-CB 4.25Å; Y440-P442 VanDerWaalsContact O-CD 3.28Å; Y440-P442 WeakPolarHBondContact O-CD 3.47Å; P442-W444 HydrophobicContact CB-CD2 4.49Å; P442-W444 HydrophobicContact CB-CH2 3.89Å; P442-W444 HydrophobicContact CB-CZ2 3.76Å; P442-W444 HydrophobicContact CB-CZ3 4.28Å; P442-W444 HydrophobicContact CG-CE3 4.44Å; P442-W444 HydrophobicContact CG-CH2 3.24Å; P442-W444 HydrophobicContact CG-CZ2 3.61Å; P442-W444 HydrophobicContact CG-CZ3 3.71Å | ||
| 443 | I | 93.6 | Very high | 90.4 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 47% | 0.467 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 111.3 | 173.5 | -55.7 | 177.4 | 0 | 0 | 0 | 107.3 | Q391 N445 | Q391-I443 HydrophobicContact CB-CB 4.33Å; Q391-I443 HydrophobicContact CB-CG1 3.94Å; Q391-I443 HydrophobicContact CB-CG2 4.42Å; I443-N445 VanDerWaalsContact CG2-ND2 3.27Å; I443-N445 WeakPolarHBondContact CG2-ND2 3.36Å |
| 444 | W | 95.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -47.3 | 178.8 | -65.6 | -76.2 | 0 | 0 | 0 | 111.9 | I389 Y390 A392 V422 T433 K434 E436 P442 E446 L537 | I389-W444 HydrophobicContact CG2-CD2 4.36Å; I389-W444 HydrophobicContact CG2-CE3 3.77Å; I389-W444 HydrophobicContact CG2-CZ3 4.32Å; Y390-W444 PolarHBondContact O-N 3.49Å; A392-W444 HydrophobicContact CB-CH2 4.01Å; A392-W444 HydrophobicContact CB-CZ3 3.81Å; V422-W444 HydrophobicContact CG2-CE3 4.22Å; V422-W444 HydrophobicContact CG2-CH2 3.56Å; V422-W444 HydrophobicContact CG2-CZ2 3.95Å; V422-W444 HydrophobicContact CG2-CZ3 3.71Å; T433-W444 HydrophobicContact CG2-CB 4.38Å; T433-W444 HydrophobicContact CG2-CG 4.13Å; T433-W444 PolarHBondContact OG1-NE1 2.97Å; K434-W444 VanDerWaalsContact O-CD1 3.22Å; K434-W444 PolarHBondContact O-NE1 3.28Å; E436-W444 HydrophobicContact CG-CG 4.37Å; P442-W444 HydrophobicContact CB-CD2 4.49Å; P442-W444 HydrophobicContact CB-CH2 3.89Å; P442-W444 HydrophobicContact CB-CZ2 3.76Å; P442-W444 HydrophobicContact CB-CZ3 4.28Å; P442-W444 HydrophobicContact CG-CE3 4.44Å; P442-W444 HydrophobicContact CG-CH2 3.24Å; P442-W444 HydrophobicContact CG-CZ2 3.61Å; P442-W444 HydrophobicContact CG-CZ3 3.71Å; W444-E446 VanDerWaalsContact C-N 3.3Å; W444-E446 HydrophobicContact CB-CB 4.48Å; W444-E446 HydrophobicContact CB-CG 4.26Å; W444-E446 WeakPolarHBondContact O-CG 3.5Å; W444-E446 PolarHBondContact O-N 3.3Å; W444-L537 HydrophobicContact CE3-CD1 4.36Å; W444-L537 HydrophobicContact CH2-CD1 4.32Å; W444-L537 HydrophobicContact CZ3-CD1 3.56Å |
| 445 | N | 95.1 | Very high | 89.4 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 17% | 0.171 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 44.3 | 54.4 | -166.4 | -67.9 | -44.9 | 0 | 0 | 0 | 112.2 | I389 Y390 I443 A559 | I389-N445 WeakPolarHBondContact O-CA 3.37Å; I389-N445 PolarHBondContact O-N 3.29Å; Y390-N445 PolarHBondContact O-N 3.46Å; I443-N445 VanDerWaalsContact CG2-ND2 3.27Å; I443-N445 WeakPolarHBondContact CG2-ND2 3.36Å; N445-A559 PolarHBondContact O-N 2.86Å |
| 446 | E | 96.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.2 | 178.5 | -62.5 | -165.4 | 125.7 | 0 | 0 | 111.3 | I389 T433 K434 W444 K556 | I389-E446 PolarHBondContact N-O 2.88Å; I389-E446 PolarHBondContact O-N 3.43Å; T433-E446 VanDerWaalsContact C-OE2 3.32Å; T433-E446 WeakPolarHBondContact CA-OE2 3.18Å; T433-E446 VanDerWaalsContact CB-OE2 3.3Å; T433-E446 WeakPolarHBondContact CB-OE2 3.45Å; T433-E446 HydrophobicContact CG2-CB 4.42Å; K434-E446 WeakPolarHBondContact CE-OE1 3.48Å; K434-E446 WeakPolarHBondContact CG-OE1 3.32Å; K434-E446 PolarHBondContact N-OE2 2.58Å; K434-E446 IonicContact NZ-OE1 3.44Å; K434-E446 PolarHBondContact NZ-OE1 3.33Å; W444-E446 VanDerWaalsContact C-N 3.3Å; W444-E446 HydrophobicContact CB-CB 4.48Å; W444-E446 HydrophobicContact CB-CG 4.26Å; W444-E446 WeakPolarHBondContact O-CG 3.5Å; W444-E446 PolarHBondContact O-N 3.3Å; E446-K556 VanDerWaalsContact CD-NZ 3.29Å; E446-K556 WeakPolarHBondContact OE1-CE 3.4Å; E446-K556 IonicContact OE1-NZ 2.81Å; E446-K556 PolarHBondContact OE1-NZ 3.04Å; E446-K556 WeakPolarHBondContact OE2-CE 3.35Å; E446-K556 IonicContact OE2-NZ 3.09Å; E446-K556 PolarHBondContact OE2-NZ 2.84Å |
| 447 | T | 96.5 | Very high | 88.9 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.5 | 172.7 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | K386 V387 S388 K556 L557 A559 | K386-T447 HydrophobicContact CB-CG2 3.71Å; K386-T447 HydrophobicContact CG-CG2 4.06Å; V387-T447 WeakPolarHBondContact O-CA 2.91Å; S388-T447 PolarHBondContact OG-OG1 3.28Å; T447-K556 WeakPolarHBondContact O-CA 3.04Å; T447-L557 PolarHBondContact N-O 2.88Å; T447-L557 PolarHBondContact O-N 3Å; T447-A559 WeakPolarHBondContact OG1-CB 3.21Å |
| 448 | I | 95.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.7 | 163.7 | -57.8 | 178.6 | 0 | 0 | 0 | 106.7 | V387 I389 V424 A431 F450 T554 | V387-I448 WeakPolarHBondContact CA-O 3.47Å; V387-I448 PolarHBondContact N-O 3.44Å; V387-I448 PolarHBondContact O-N 2.86Å; I389-I448 HydrophobicContact CD1-CD1 3.72Å; I389-I448 HydrophobicContact CD1-CG1 4.11Å; V424-I448 HydrophobicContact CB-CD1 4.23Å; V424-I448 HydrophobicContact CG2-CD1 4.1Å; A431-I448 HydrophobicContact CB-CD1 4.39Å; A431-I448 HydrophobicContact CB-CG2 3.63Å; I448-F450 HydrophobicContact CB-CE2 4.16Å; I448-F450 HydrophobicContact CG2-CD2 4.04Å; I448-F450 HydrophobicContact CG2-CE2 3.39Å; I448-F450 HydrophobicContact CG2-CZ 3.75Å; I448-T554 HydrophobicContact CG2-CG2 4.32Å |
| 449 | E | 91.8 | Very high | 89.1 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 10% | 0.098 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.7 | -178.2 | 169.2 | 175 | -106.4 | 0 | 0 | 108.9 | K386 T554 S555 | K386-E449 WeakPolarHBondContact CE-OE1 3.33Å; K386-E449 HydrophobicContact CG-CB 4.25Å; K386-E449 HydrophobicContact CG-CG 4.16Å; K386-E449 IonicContact NZ-OE1 2.63Å; K386-E449 PolarHBondContact NZ-OE1 3.37Å; E449-T554 CarbonylContact O-C 3.53Å; E449-T554 VanDerWaalsContact O-CA 3.3Å; E449-T554 WeakPolarHBondContact O-CA 3.27Å; E449-S555 PolarHBondContact N-O 2.65Å; E449-S555 PolarHBondContact O-N 3.37Å; E449-S555 WeakPolarHBondContact OE2-CB 3.32Å; E449-S555 PolarHBondContact OE2-OG 3.42Å |
| 450 | F | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.1 | 174.9 | -66.3 | -97.9 | 0 | 0 | 0 | 108.4 | M385 V387 V424 Y426 H429 I448 T554 | M385-F450 HydrophobicContact CB-CB 4.35Å; M385-F450 PolarHBondContact N-O 3.16Å; M385-F450 PolarHBondContact O-N 2.84Å; V387-F450 HydrophobicContact CB-CE2 4.41Å; V387-F450 HydrophobicContact CG2-CD2 3.95Å; V387-F450 HydrophobicContact CG2-CE2 3.93Å; V424-F450 HydrophobicContact CB-CE2 4.17Å; V424-F450 HydrophobicContact CB-CZ 3.96Å; V424-F450 HydrophobicContact CG1-CE2 3.73Å; V424-F450 HydrophobicContact CG1-CZ 3.69Å; Y426-F450 HydrophobicContact CD1-CB 3.84Å; Y426-F450 HydrophobicContact CD1-CD1 4.14Å; Y426-F450 AromaticContact CD1-CG 3.99Å; Y426-F450 HydrophobicContact CD1-CG 3.99Å; Y426-F450 HydrophobicContact CE1-CB 4.42Å; H429-F450 HydrophobicContact CB-CD1 3.96Å; H429-F450 HydrophobicContact CB-CE1 4.07Å; I448-F450 HydrophobicContact CB-CE2 4.16Å; I448-F450 HydrophobicContact CG2-CD2 4.04Å; I448-F450 HydrophobicContact CG2-CE2 3.39Å; I448-F450 HydrophobicContact CG2-CZ 3.75Å; F450-T554 HydrophobicContact CD1-CG2 3.42Å; F450-T554 VanDerWaalsContact CD1-CG2 3.42Å; F450-T554 HydrophobicContact CE1-CG2 3.37Å; F450-T554 HydrophobicContact CG-CG2 4.06Å; F450-T554 HydrophobicContact CZ-CG2 3.98Å |
| 451 | C | 87.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 18.5 Ų | 18.5 | 8% | 0.081 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 105.5 | 178.1 | -75 | 0 | 0 | 0 | 0 | 108.4 | V549 I552 G553 | C451-V549 HydrophobicContact CB-CG1 3.55Å; C451-I552 VanDerWaalsContact O-CA 3.3Å; C451-I552 WeakPolarHBondContact O-CA 3.39Å; C451-G553 PolarHBondContact N-O 2.99Å; C451-G553 PolarHBondContact O-N 2.7Å |
| 452 | D | 85.9 | Confident | 89.8 | Confident | 20 Ų | 20 | 18.1 Ų | 18.1 | 11% | 0.107 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.1 | -178.8 | -149.6 | -46.7 | 0 | 0 | 0 | 110.5 | R380 L383 A427 H429 | R380-D452 IonicContact NH2-OD1 2.7Å; L383-D452 PolarHBondContact N-O 3.16Å; L383-D452 PolarHBondContact O-N 2.78Å; A427-D452 HydrophobicContact CB-CB 4.3Å; A427-D452 VanDerWaalsContact CB-OD2 3.23Å; A427-D452 WeakPolarHBondContact CB-OD2 3.19Å; H429-D452 IonicContact CE1-OD2 3.51Å; H429-D452 PolarHBondContact CE1-OD2 3.3Å; H429-D452 VanDerWaalsContact CE1-OD2 3.24Å; H429-D452 IonicContact ND1-OD2 2.72Å; H429-D452 PolarHBondContact ND1-OD2 2.99Å |
| 453 | Y | 83.5 | Confident | 89.9 | Confident | 44 Ų | 44 | 18.2 Ų | 18.2 | 17% | 0.173 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.5 | 176.2 | -74.8 | -74.8 | 0 | 0 | 0 | 111.4 | I324 R380 I381 M382 P455 I552 | I324-Y453 HydrophobicContact CD1-CD2 4.11Å; I324-Y453 HydrophobicContact CD1-CE2 3.69Å; R380-Y453 HydrophobicContact CB-CD1 4.44Å; R380-Y453 VanDerWaalsContact NH2-CB 3.35Å; R380-Y453 PolarHBondContact NH2-O 3.46Å; I381-Y453 CarbonylContact O-C 3.48Å; I381-Y453 VanDerWaalsContact O-CA 3.25Å; I381-Y453 WeakPolarHBondContact O-CA 3.5Å; M382-Y453 HydrophobicContact CE-CD1 4.12Å; M382-Y453 HydrophobicContact CE-CD2 4.06Å; M382-Y453 HydrophobicContact CE-CE1 3.78Å; M382-Y453 HydrophobicContact CE-CE2 3.74Å; M382-Y453 HydrophobicContact CE-CG 4.25Å; Y453-P455 CarbonylContact O-C 3.44Å; Y453-P455 VanDerWaalsContact O-O 3.04Å; Y453-I552 HydrophobicContact CD2-CD1 3.83Å; Y453-I552 HydrophobicContact CE2-CD1 3.73Å |
| 454 | F | 83.6 | Confident | 89.9 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.022 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.2 | 177.1 | -167.2 | -95.1 | 0 | 0 | 0 | 112.4 | T374 R380 I381 L383 I482 M486 F494 P495 | T374-F454 HydrophobicContact CG2-CE1 4.18Å; T374-F454 HydrophobicContact CG2-CZ 3.88Å; R380-F454 VanDerWaalsContact CA-O 3.29Å; R380-F454 WeakPolarHBondContact CA-O 3.43Å; I381-F454 PolarHBondContact N-O 2.69Å; I381-F454 VanDerWaalsContact N-O 3.13Å; I381-F454 PolarHBondContact O-N 3.11Å; L383-F454 HydrophobicContact CB-CB 3.63Å; L383-F454 HydrophobicContact CD1-CB 4.42Å; L383-F454 HydrophobicContact CD2-CB 3.69Å; L383-F454 HydrophobicContact CD2-CD2 3.7Å; L383-F454 HydrophobicContact CD2-CG 3.72Å; L383-F454 HydrophobicContact CG-CB 4.11Å; F454-I482 HydrophobicContact CE2-CG2 4.21Å; F454-I482 HydrophobicContact CZ-CG2 4.43Å; F454-M486 HydrophobicContact CE1-CE 4.03Å; F454-M486 HydrophobicContact CZ-CE 3.83Å; F454-M486 HydrophobicContact CZ-SD 3.98Å; F454-F494 HydrophobicContact CD1-CD1 4.07Å; F454-F494 HydrophobicContact CD1-CE1 4.25Å; F454-F494 HydrophobicContact CE1-CD1 4.2Å; F454-P495 HydrophobicContact CD2-CG 4.32Å; F454-P495 HydrophobicContact CE2-CG 3.42Å; F454-P495 VanDerWaalsContact CE2-CG 3.42Å; F454-P495 HydrophobicContact CZ-CG 3.63Å |
| 455 | P | 83 | Confident | 89.9 | Confident | 9 Ų | 9 | 13.5 Ų | 13.5 | 6% | 0.058 | 6% | 0.064 | C | C | . | . | S | Bend | cis | -66 | 151.5 | -4.1 | -14 | 28.7 | 0 | 0 | 0 | 112.3 | P371 T374 R380 Y453 | P371-P455 HydrophobicContact CB-CB 4Å; P371-P455 HydrophobicContact CG-CB 3.71Å; P371-P455 HydrophobicContact CG-CG 4.09Å; T374-P455 HydrophobicContact CG2-CB 3.93Å; T374-P455 HydrophobicContact CG2-CG 3.99Å; T374-P455 WeakPolarHBondContact OG1-CG 3.38Å; R380-P455 PolarHBondContact NE-O 2.92Å; R380-P455 PolarHBondContact NH2-O 3.03Å; R380-P455 VanDerWaalsContact NH2-O 3.14Å; Y453-P455 CarbonylContact O-C 3.44Å; Y453-P455 VanDerWaalsContact O-O 3.04Å |
| 456 | S | 83.5 | Confident | 89.8 | Confident | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | trans | -77.3 | 170.8 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 110 | P371 Y373 Y426 A427 T458 | P371-S456 WeakPolarHBondContact CB-O 3.34Å; Y373-S456 WeakPolarHBondContact CE1-O 3.12Å; Y373-S456 PolarHBondContact OH-N 2.87Å; Y373-S456 PolarHBondContact OH-O 2.96Å; Y426-S456 WeakPolarHBondContact OH-CB 3.47Å; A427-S456 WeakPolarHBondContact CB-OG 2.94Å; S456-T458 VanDerWaalsContact C-N 3.34Å; S456-T458 PolarHBondContact OG-N 2.87Å; S456-T458 PolarHBondContact OG-OG1 2.86Å | ||
| 457 | F | 85.7 | Confident | 89.4 | Confident | 13 Ų | 13 | 14.1 Ų | 14.1 | 6% | 0.057 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -95.1 | 9.5 | 166.3 | -66.1 | -81.6 | 0 | 0 | 0 | 112.3 | F301 I302 T303 D304 T307 L369 P371 | F301-F457 HydrophobicContact CE2-CD1 4.27Å; F301-F457 AromaticContact CE2-CD2 3.61Å; F301-F457 HydrophobicContact CE2-CD2 3.61Å; F301-F457 HydrophobicContact CE2-CE1 4.22Å; F301-F457 AromaticContact CE2-CE2 3.56Å; F301-F457 HydrophobicContact CE2-CE2 3.56Å; F301-F457 AromaticContact CE2-CG 3.98Å; F301-F457 HydrophobicContact CE2-CG 3.98Å; F301-F457 AromaticContact CE2-CZ 3.88Å; F301-F457 HydrophobicContact CE2-CZ 3.88Å; F301-F457 HydrophobicContact CZ-CB 4.33Å; F301-F457 AromaticContact CZ-CD1 3.96Å; F301-F457 HydrophobicContact CZ-CD1 3.96Å; F301-F457 AromaticContact CZ-CD2 3.96Å; F301-F457 HydrophobicContact CZ-CD2 3.96Å; F301-F457 HydrophobicContact CZ-CE1 4.21Å; F301-F457 HydrophobicContact CZ-CE2 4.21Å; F301-F457 AromaticContact CZ-CG 3.83Å; F301-F457 HydrophobicContact CZ-CG 3.83Å; F301-F457 HydrophobicContact CZ-CZ 4.34Å; I302-F457 VanDerWaalsContact O-CB 3.24Å; I302-F457 WeakPolarHBondContact O-CB 3.2Å; T303-F457 WeakPolarHBondContact CA-O 3.28Å; T303-F457 PolarHBondContact OG1-O 2.83Å; T303-F457 VanDerWaalsContact OG1-O 3.05Å; D304-F457 PolarHBondContact N-O 2.97Å; D304-F457 VanDerWaalsContact N-O 3.16Å; T307-F457 PolarHBondContact OG1-O 2.95Å; L369-F457 HydrophobicContact CG-CD1 4.33Å; L369-F457 HydrophobicContact CG-CE1 3.91Å; L369-F457 VanDerWaalsContact O-CE1 3.3Å; L369-F457 WeakPolarHBondContact O-CE1 3.37Å; L369-F457 WeakPolarHBondContact O-CZ 3.31Å; P371-F457 HydrophobicContact CB-CD1 3.96Å; P371-F457 HydrophobicContact CB-CE1 4.05Å; P371-F457 HydrophobicContact CB-CG 4.5Å; P371-F457 HydrophobicContact CG-CD1 4.48Å; P371-F457 HydrophobicContact CG-CE1 4.17Å; P371-F457 HydrophobicContact CG-CZ 4.35Å |
| 458 | T | 86.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | trans | -115.2 | 130.7 | 168.7 | 66.6 | 0 | 0 | 0 | 0 | 110.1 | I276 I302 D304 Y373 A427 S456 I482 | I276-T458 HydrophobicContact CD1-CG2 3.84Å; I302-T458 HydrophobicContact CG2-CG2 4.42Å; D304-T458 HydrophobicContact CB-CG2 4.32Å; D304-T458 VanDerWaalsContact OD2-CA 3.23Å; D304-T458 WeakPolarHBondContact OD2-CA 3.5Å; Y373-T458 PolarHBondContact OH-O 2.78Å; A427-T458 VanDerWaalsContact CA-OG1 3.27Å; A427-T458 WeakPolarHBondContact CA-OG1 3.37Å; A427-T458 PolarHBondContact N-OG1 3.34Å; A427-T458 VanDerWaalsContact N-OG1 3.1Å; S456-T458 VanDerWaalsContact C-N 3.34Å; S456-T458 PolarHBondContact OG-N 2.87Å; S456-T458 PolarHBondContact OG-OG1 2.86Å; T458-I482 WeakPolarHBondContact O-CD1 3.15Å | ||
| 459 | R | 82.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 16.6 Ų | 16.6 | 5% | 0.049 | 9% | 0.092 | C | C | . | . | trans | -86.3 | -19.3 | -177.2 | -55.2 | -164.5 | -174.3 | -161.6 | -1.4 | 114 | D304 T307 N310 Y373 I482 | D304-R459 PolarHBondContact OD2-N 2.88Å; T307-R459 PolarHBondContact OG1-NE 2.81Å; N310-R459 VanDerWaalsContact CB-CZ 3.5Å; Y373-R459 HydrophobicContact CD1-CG 3.74Å; Y373-R459 HydrophobicContact CE1-CG 4.02Å; Y373-R459 HydrophobicContact CG-CG 4.03Å; R459-I482 WeakPolarHBondContact O-CB 3.17Å; R459-I482 WeakPolarHBondContact O-CD1 3.44Å; R459-I482 WeakPolarHBondContact O-CG1 3.08Å; R459-I482 PolarHBondContact O-N 3.23Å | ||
| 460 | T | 88.4 | Confident | 85.5 | Confident | 19 Ų | 19 | 24.6 Ų | 24.6 | 12% | 0.117 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.9 | -172.3 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | T274 Q306 I480 | T274-T460 HydrophobicContact CG2-CG2 4.26Å; Q306-T460 VanDerWaalsContact OE1-CG2 3.32Å; T460-I480 WeakPolarHBondContact CA-O 3.16Å |
| 461 | I | 92 | Very high | 84.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.7 | 164.9 | -58.1 | 173.6 | 0 | 0 | 0 | 106.9 | M385 V424 Y426 I463 I480 I482 I485 I541 | M385-I461 HydrophobicContact SD-CD1 3.75Å; V424-I461 HydrophobicContact CG1-CG2 3.96Å; Y426-I461 HydrophobicContact CD2-CG1 3.91Å; Y426-I461 HydrophobicContact CG-CG1 4.17Å; I461-I463 HydrophobicContact CG2-CG1 4.35Å; I461-I480 HydrophobicContact CB-CB 4.47Å; I461-I480 PolarHBondContact N-O 3.47Å; I461-I480 PolarHBondContact O-N 2.82Å; I461-I482 HydrophobicContact CD1-CG1 4.16Å; I461-I482 HydrophobicContact CG1-CD1 4.3Å; I461-I482 HydrophobicContact CG1-CG1 4Å; I461-I485 HydrophobicContact CD1-CD1 4.3Å; I461-I541 HydrophobicContact CD1-CD1 3.9Å |
| 462 | R | 93.6 | Very high | 83.3 | Confident | 61 Ų | 61 | 32 Ų | 32 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.9 | 178.5 | -178.2 | 170.2 | -166.5 | 130.4 | 11.5 | 110.3 | V424 S425 N464 T477 L479 Q525 | V424-R462 CarbonylContact C-O 3.58Å; V424-R462 WeakPolarHBondContact CA-O 3.28Å; S425-R462 PolarHBondContact N-O 2.79Å; S425-R462 PolarHBondContact O-N 3.25Å; R462-N464 PolarHBondContact NE-OD1 3.34Å; R462-T477 HydrophobicContact CG-CG2 4.09Å; R462-T477 PolarHBondContact NH2-OG1 2.85Å; R462-T477 VanDerWaalsContact NH2-OG1 3.08Å; R462-L479 HydrophobicContact CB-CD2 3.92Å; R462-L479 HydrophobicContact CG-CD2 3.79Å; R462-Q525 PolarHBondContact NH2-O 3.33Å |
| 463 | I | 95.8 | Very high | 83.2 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.8 | 177.7 | -54.3 | -178 | 0 | 0 | 0 | 107.9 | V422 V424 I461 T477 R478 I480 I502 L537 L539 | V422-I463 HydrophobicContact CG1-CG2 3.72Å; V424-I463 HydrophobicContact CG1-CG1 4.46Å; V424-I463 HydrophobicContact CG2-CG1 4.39Å; V424-I463 HydrophobicContact CG2-CG2 4.47Å; I461-I463 HydrophobicContact CG2-CG1 4.35Å; I463-T477 CarbonylContact O-C 3.6Å; I463-T477 WeakPolarHBondContact O-CA 3.24Å; I463-R478 PolarHBondContact N-O 2.88Å; I463-R478 PolarHBondContact O-N 2.72Å; I463-I480 HydrophobicContact CD1-CD1 3.83Å; I463-I502 HydrophobicContact CD1-CD1 4.46Å; I463-L537 HydrophobicContact CG2-CD2 3.88Å; I463-L539 HydrophobicContact CD1-CD1 4.35Å; I463-L539 HydrophobicContact CD1-CD2 3.72Å |
| 464 | N | 95.1 | Very high | 83.4 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124 | 176.3 | -63.5 | -30.4 | 0 | 0 | 0 | 108.7 | E423 R462 R466 L474 T477 | E423-N464 HydrophobicContact CB-CB 4.22Å; E423-N464 PolarHBondContact N-O 3.21Å; E423-N464 PolarHBondContact O-N 3.01Å; E423-N464 PolarHBondContact OE2-ND2 3.22Å; R462-N464 PolarHBondContact NE-OD1 3.34Å; N464-R466 HydrophobicContact CB-CG 4.43Å; N464-L474 HydrophobicContact CB-CD1 3.79Å; N464-T477 PolarHBondContact OD1-OG1 3.36Å |
| 465 | V | 95.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.3 | 168.9 | -167.2 | 0 | 0 | 0 | 0 | 107.6 | L395 V422 I475 A476 L504 L537 | L395-V465 HydrophobicContact CD1-CG1 4.23Å; L395-V465 HydrophobicContact CD2-CG1 4.38Å; V422-V465 HydrophobicContact CG2-CG2 4.45Å; V465-I475 HydrophobicContact CB-CB 4.38Å; V465-I475 HydrophobicContact CG1-CD1 3.97Å; V465-I475 WeakPolarHBondContact O-CB 3.48Å; V465-I475 PolarHBondContact O-N 3.42Å; V465-A476 PolarHBondContact N-O 2.79Å; V465-L504 HydrophobicContact CB-CD1 4.49Å; V465-L504 HydrophobicContact CG2-CD1 3.79Å; V465-L537 HydrophobicContact CG2-CD2 4.33Å |
| 466 | R | 92.2 | Very high | 84.1 | Confident | 52 Ų | 52 | 29.1 Ų | 29.1 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.9 | -170.5 | -69 | -176.1 | -176.4 | -95.4 | 7.7 | 113.8 | S420 Y421 E423 N464 G472 E473 L474 I475 | S420-R466 CarbonylContact C-O 3.58Å; S420-R466 WeakPolarHBondContact CA-O 3.47Å; Y421-R466 HydrophobicContact CD1-CB 4.15Å; Y421-R466 HydrophobicContact CD2-CB 4.35Å; Y421-R466 HydrophobicContact CE1-CB 3.67Å; Y421-R466 HydrophobicContact CE2-CB 3.91Å; Y421-R466 HydrophobicContact CE2-CG 4.39Å; Y421-R466 HydrophobicContact CG-CB 4.48Å; Y421-R466 PolarHBondContact N-O 3.07Å; Y421-R466 PolarHBondContact O-N 2.91Å; Y421-R466 WeakPolarHBondContact OH-CD 3.39Å; E423-R466 IonicContact OE1-CZ 2.84Å; E423-R466 IonicContact OE1-NE 3.18Å; E423-R466 PolarHBondContact OE1-NE 2.89Å; E423-R466 VanDerWaalsContact OE1-NE 3.16Å; E423-R466 IonicContact OE1-NH2 3.19Å; E423-R466 IonicContact OE2-CZ 2.77Å; E423-R466 VanDerWaalsContact OE2-CZ 3.26Å; E423-R466 IonicContact OE2-NE 3.71Å; E423-R466 PolarHBondContact OE2-NE 3.15Å; E423-R466 IonicContact OE2-NH2 3.4Å; E423-R466 PolarHBondContact OE2-NH2 3.26Å; N464-R466 HydrophobicContact CB-CG 4.43Å; R466-G472 WeakPolarHBondContact CD-O 3.38Å; R466-G472 PolarHBondContact NH1-O 3.46Å; R466-E473 CarbonylContact C-O 3.5Å; R466-E473 WeakPolarHBondContact CA-O 3.3Å; R466-E473 WeakPolarHBondContact CB-O 3.38Å; R466-L474 HydrophobicContact CG-CD1 4.19Å; R466-I475 VanDerWaalsContact C-CD1 3.44Å |
| 467 | N | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.5 | 171.6 | -176.5 | 37.3 | 0 | 0 | 0 | 110.7 | M398 L418 D419 G469 G472 E473 I475 | M398-N467 HydrophobicContact CB-CB 3.84Å; M398-N467 WeakPolarHBondContact CB-ND2 3.36Å; M398-N467 HydrophobicContact CG-CB 4.05Å; L418-N467 HydrophobicContact CD1-CB 4.08Å; D419-N467 PolarHBondContact N-OD1 2.8Å; D419-N467 CarbonylContact O-C 3.6Å; D419-N467 WeakPolarHBondContact O-CA 3.49Å; D419-N467 PolarHBondContact O-OD1 3.45Å; N467-G469 PolarHBondContact O-N 2.8Å; N467-G472 CarbonylContact O-C 3.53Å; N467-G472 VanDerWaalsContact O-CA 3.29Å; N467-G472 WeakPolarHBondContact O-CA 3.31Å; N467-E473 HydrophobicContact CB-CB 4.29Å; N467-E473 PolarHBondContact N-O 3.48Å; N467-E473 PolarHBondContact ND2-OE2 2.92Å; N467-E473 PolarHBondContact O-N 3.17Å; N467-I475 HydrophobicContact CB-CD1 4.46Å |
| 468 | G | 75.7 | Confident | 85 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | trans | -75.6 | 18.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D419 | D419-G468 PolarHBondContact O-N 2.68Š| ||
| 469 | G | 67 | Low | 85.2 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -68.8 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N467 K471 G472 | N467-G469 PolarHBondContact O-N 2.8Å; G469-K471 PolarHBondContact O-N 3.38Å; G469-G472 PolarHBondContact O-N 2.92Å |
| 470 | L | 60 | Low | 85.6 | Confident | 189 Ų | 189 | 33.5 Ų | 33.5 | 99% | 0.99 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -24.9 | -170.1 | -122.9 | 80.6 | 0 | 0 | 0 | 116 | ||
| 471 | K | 62.6 | Low | 85.6 | Confident | 159 Ų | 159 | 34.4 Ų | 34.4 | 69% | 0.691 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 1.4 | -178.8 | -70.1 | -173.3 | 176.6 | -178.8 | 0 | 115.1 | G469 | G469-K471 PolarHBondContact O-N 3.38Š|
| 472 | G | 69.9 | Low | 85.4 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | trans | 65.8 | 55.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R466 N467 G469 | R466-G472 WeakPolarHBondContact CD-O 3.38Å; R466-G472 PolarHBondContact NH1-O 3.46Å; N467-G472 CarbonylContact O-C 3.53Å; N467-G472 VanDerWaalsContact O-CA 3.29Å; N467-G472 WeakPolarHBondContact O-CA 3.31Å; G469-G472 PolarHBondContact O-N 2.92Å | ||
| 473 | E | 83.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 143.7 | -169.2 | -57.4 | 152.2 | 170.5 | 0 | 0 | 112.7 | M398 R466 N467 M516 P519 | M398-E473 HydrophobicContact CE-CB 3.73Å; R466-E473 CarbonylContact C-O 3.5Å; R466-E473 WeakPolarHBondContact CA-O 3.3Å; R466-E473 WeakPolarHBondContact CB-O 3.38Å; N467-E473 HydrophobicContact CB-CB 4.29Å; N467-E473 PolarHBondContact N-O 3.48Å; N467-E473 PolarHBondContact ND2-OE2 2.92Å; N467-E473 PolarHBondContact O-N 3.17Å; E473-M516 WeakPolarHBondContact OE1-CG 3.33Å; E473-P519 HydrophobicContact CB-CB 4.04Å; E473-P519 HydrophobicContact CG-CB 4.15Å |
| 474 | L | 88.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.7 | -175.7 | -173.6 | 64.3 | 0 | 0 | 0 | 111.9 | N464 R466 N524 Q525 | N464-L474 HydrophobicContact CB-CD1 3.79Å; R466-L474 HydrophobicContact CG-CD1 4.19Å; L474-N524 HydrophobicContact CD2-CB 4.27Å; L474-N524 WeakPolarHBondContact CD2-O 3.25Å; L474-N524 HydrophobicContact CG-CB 4.27Å; L474-N524 PolarHBondContact O-ND2 2.95Å; L474-Q525 HydrophobicContact CD2-CB 4.4Å; L474-Q525 HydrophobicContact CD2-CG 3.63Å |
| 475 | I | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -49.2 | 177.6 | -64.1 | 155.1 | 0 | 0 | 0 | 110.1 | P396 M398 L418 V465 R466 N467 R534 | P396-I475 HydrophobicContact CG-CG2 3.85Å; M398-I475 HydrophobicContact CE-CG1 4.14Å; M398-I475 HydrophobicContact CG-CD1 4.23Å; M398-I475 HydrophobicContact CG-CG1 3.56Å; M398-I475 HydrophobicContact SD-CB 4.4Å; M398-I475 HydrophobicContact SD-CG1 3.71Å; L418-I475 HydrophobicContact CD1-CD1 3.81Å; V465-I475 HydrophobicContact CB-CB 4.38Å; V465-I475 HydrophobicContact CG1-CD1 3.97Å; V465-I475 WeakPolarHBondContact O-CB 3.48Å; V465-I475 PolarHBondContact O-N 3.42Å; R466-I475 VanDerWaalsContact C-CD1 3.44Å; N467-I475 HydrophobicContact CB-CD1 4.46Å; I475-R534 PolarHBondContact O-NE 2.74Å; I475-R534 VanDerWaalsContact O-NE 3.11Å; I475-R534 PolarHBondContact O-NH2 2.88Å |
| 476 | A | 91.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 156.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V465 L504 N524 R534 | V465-A476 PolarHBondContact N-O 2.79Å; A476-L504 HydrophobicContact CB-CB 3.88Å; A476-L504 HydrophobicContact CB-CD2 4.46Å; A476-N524 CarbonylContact C-O 3.59Å; A476-N524 WeakPolarHBondContact CA-O 3.49Å; A476-R534 HydrophobicContact CB-CB 4.39Å |
| 477 | T | 93.8 | Very high | 83.2 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.6 | 166.6 | -70.7 | 0 | 0 | 0 | 0 | 109.5 | R462 I463 N464 L479 N524 A526 | R462-T477 HydrophobicContact CG-CG2 4.09Å; R462-T477 PolarHBondContact NH2-OG1 2.85Å; R462-T477 VanDerWaalsContact NH2-OG1 3.08Å; I463-T477 CarbonylContact O-C 3.6Å; I463-T477 WeakPolarHBondContact O-CA 3.24Å; N464-T477 PolarHBondContact OD1-OG1 3.36Å; T477-L479 HydrophobicContact CG2-CD2 4.01Å; T477-L479 HydrophobicContact CG2-CG 4.17Å; T477-N524 PolarHBondContact N-O 2.91Å; T477-N524 PolarHBondContact OG1-O 3.01Å; T477-A526 HydrophobicContact CG2-CB 4.29Å |
| 478 | R | 92.9 | Very high | 82.4 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 24% | 0.242 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.6 | 155.7 | -175.8 | 59.9 | 174.9 | -104.4 | -2.8 | 109.6 | I463 I480 I502 L504 D797 | I463-R478 PolarHBondContact N-O 2.88Å; I463-R478 PolarHBondContact O-N 2.72Å; R478-I480 HydrophobicContact CG-CG1 4.32Å; R478-I502 HydrophobicContact CB-CD1 3.7Å; R478-I502 HydrophobicContact CG-CD1 3.8Å; R478-L504 HydrophobicContact CB-CD2 4.43Å; R478-D797 IonicContact CZ-OD1 2.75Å; R478-D797 IonicContact CZ-OD2 2.8Å; R478-D797 VanDerWaalsContact NH1-CG 3.33Å; R478-D797 IonicContact NH1-OD1 2.97Å; R478-D797 PolarHBondContact NH1-OD1 2.8Å; R478-D797 VanDerWaalsContact NH1-OD1 3.14Å; R478-D797 IonicContact NH1-OD2 2.78Å; R478-D797 PolarHBondContact NH1-OD2 3.33Å; R478-D797 IonicContact NH2-OD1 2.77Å; R478-D797 PolarHBondContact NH2-OD1 2.8Å; R478-D797 IonicContact NH2-OD2 3.69Å |
| 479 | L | 92 | Very high | 81.9 | Confident | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 142.2 | 167.8 | -58.9 | 175.1 | 0 | 0 | 0 | 108.3 | I270 T274 R462 T477 | I270-L479 HydrophobicContact CD1-CD1 4.08Å; I270-L479 HydrophobicContact CG1-CD1 4.19Å; T274-L479 HydrophobicContact CG2-CD1 4.23Å; R462-L479 HydrophobicContact CB-CD2 3.92Å; R462-L479 HydrophobicContact CG-CD2 3.79Å; T477-L479 HydrophobicContact CG2-CD2 4.01Å; T477-L479 HydrophobicContact CG2-CG 4.17Å |
| 480 | I | 90.9 | Very high | 81.5 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119.3 | 173.5 | -56.9 | 177.8 | 0 | 0 | 0 | 106.8 | T460 I461 I463 R478 I485 I541 | T460-I480 WeakPolarHBondContact CA-O 3.16Å; I461-I480 HydrophobicContact CB-CB 4.47Å; I461-I480 PolarHBondContact N-O 3.47Å; I461-I480 PolarHBondContact O-N 2.82Å; I463-I480 HydrophobicContact CD1-CD1 3.83Å; R478-I480 HydrophobicContact CG-CG1 4.32Å; I480-I485 HydrophobicContact CG2-CD1 4.06Å; I480-I485 HydrophobicContact CG2-CG1 4.34Å; I480-I485 HydrophobicContact CG2-CG2 3.66Å; I480-I541 HydrophobicContact CD1-CD1 4.26Å |
| 481 | D | 87.9 | Confident | 81.5 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 132.1 | 169.9 | -163.3 | -56 | 0 | 0 | 0 | 109 | Q306 R483 D484 | Q306-D481 PolarHBondContact NE2-OD2 3.46Å; D481-R483 PolarHBondContact O-N 3.4Å; D481-R483 WeakPolarHBondContact OD1-CB 3.41Å; D481-R483 PolarHBondContact OD1-N 2.94Å; D481-D484 PolarHBondContact O-N 3.27Å |
| 482 | I | 87.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.4 | -178.6 | -68 | 165.4 | 0 | 0 | 0 | 110.8 | Y373 Y426 F454 T458 R459 I461 D484 I485 M486 P495 | Y373-I482 HydrophobicContact CE2-CB 4.17Å; Y373-I482 HydrophobicContact CE2-CG2 3.91Å; Y426-I482 HydrophobicContact CD2-CD1 3.95Å; Y426-I482 HydrophobicContact CE2-CD1 3.37Å; F454-I482 HydrophobicContact CE2-CG2 4.21Å; F454-I482 HydrophobicContact CZ-CG2 4.43Å; T458-I482 WeakPolarHBondContact O-CD1 3.15Å; R459-I482 WeakPolarHBondContact O-CB 3.17Å; R459-I482 WeakPolarHBondContact O-CD1 3.44Å; R459-I482 WeakPolarHBondContact O-CG1 3.08Å; R459-I482 PolarHBondContact O-N 3.23Å; I461-I482 HydrophobicContact CD1-CG1 4.16Å; I461-I482 HydrophobicContact CG1-CD1 4.3Å; I461-I482 HydrophobicContact CG1-CG1 4Å; I482-D484 VanDerWaalsContact C-N 3.29Å; I482-D484 PolarHBondContact O-N 3.38Å; I482-I485 WeakPolarHBondContact O-CG1 3.29Å; I482-I485 PolarHBondContact O-N 3.37Å; I482-M486 HydrophobicContact CG2-SD 3.88Å; I482-M486 VanDerWaalsContact O-CG 3.31Å; I482-M486 WeakPolarHBondContact O-CG 3.47Å; I482-M486 PolarHBondContact O-N 3.03Å; I482-P495 HydrophobicContact CG2-CB 4.15Å; I482-P495 HydrophobicContact CG2-CG 3.65Å |
| 483 | R | 83.7 | Confident | 82.2 | Confident | 94 Ų | 94 | 39.4 Ų | 39.4 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -39.7 | 177.6 | 178.6 | 178.2 | -88.5 | -155.4 | -13.6 | 112.4 | D138 D481 | D138-R483 IonicContact OD1-NH2 2.76Å; D138-R483 IonicContact OD2-CZ 2.73Å; D138-R483 IonicContact OD2-NH1 3.68Å; D138-R483 PolarHBondContact OD2-NH1 2.88Å; D138-R483 IonicContact OD2-NH2 3.77Å; D138-R483 PolarHBondContact OD2-NH2 2.9Å; D481-R483 PolarHBondContact O-N 3.4Å; D481-R483 WeakPolarHBondContact OD1-CB 3.41Å; D481-R483 PolarHBondContact OD1-N 2.94Å |
| 484 | D | 84.8 | Confident | 82.3 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -34.5 | -176.5 | -80.7 | -20.1 | 0 | 0 | 0 | 112.4 | D481 I482 R750 N793 P795 | D481-D484 PolarHBondContact O-N 3.27Å; I482-D484 VanDerWaalsContact C-N 3.29Å; I482-D484 PolarHBondContact O-N 3.38Å; D484-R750 PolarHBondContact O-NH1 2.87Å; D484-N793 PolarHBondContact OD2-ND2 3.46Å; D484-P795 HydrophobicContact CB-CB 4.05Å |
| 485 | I | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.9 | -175.7 | 66.5 | 162.9 | 0 | 0 | 0 | 114.6 | I461 I480 I482 C487 P495 H496 F497 I541 L743 | I461-I485 HydrophobicContact CD1-CD1 4.3Å; I480-I485 HydrophobicContact CG2-CD1 4.06Å; I480-I485 HydrophobicContact CG2-CG1 4.34Å; I480-I485 HydrophobicContact CG2-CG2 3.66Å; I482-I485 WeakPolarHBondContact O-CG1 3.29Å; I482-I485 PolarHBondContact O-N 3.37Å; I485-C487 PolarHBondContact O-N 3.25Å; I485-P495 HydrophobicContact CD1-CB 3.78Å; I485-P495 HydrophobicContact CG1-CB 4.05Å; I485-H496 PolarHBondContact O-N 2.81Å; I485-F497 HydrophobicContact CG2-CD2 3.99Å; I485-I541 HydrophobicContact CD1-CD1 4.01Å; I485-L743 HydrophobicContact CB-CD2 4.09Å; I485-L743 HydrophobicContact CG2-CD2 3.88Å |
| 486 | M | 86.3 | Confident | 82.4 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 122.6 | 174.7 | -65.3 | -56.5 | -66.9 | 0 | 0 | 111 | T374 F454 I482 N493 P495 | T374-M486 HydrophobicContact CG2-CE 4.1Å; T374-M486 HydrophobicContact CG2-SD 4.37Å; F454-M486 HydrophobicContact CE1-CE 4.03Å; F454-M486 HydrophobicContact CZ-CE 3.83Å; F454-M486 HydrophobicContact CZ-SD 3.98Å; I482-M486 HydrophobicContact CG2-SD 3.88Å; I482-M486 VanDerWaalsContact O-CG 3.31Å; I482-M486 WeakPolarHBondContact O-CG 3.47Å; I482-M486 PolarHBondContact O-N 3.03Å; M486-N493 VanDerWaalsContact CE-C 3.49Å; M486-N493 HydrophobicContact CE-CB 3.9Å; M486-N493 WeakPolarHBondContact CE-O 3.47Å; M486-P495 HydrophobicContact SD-CB 4.5Å; M486-P495 HydrophobicContact SD-CG 3.9Å |
| 487 | C | 81.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.5 | 177.3 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | I485 I489 N493 F494 H496 | I485-C487 PolarHBondContact O-N 3.25Å; C487-I489 HydrophobicContact CB-CD1 4.47Å; C487-I489 HydrophobicContact CB-CG1 4.45Å; C487-N493 WeakPolarHBondContact O-CA 3.39Å; C487-F494 PolarHBondContact N-O 3.38Å; C487-F494 PolarHBondContact O-N 2.68Å; C487-H496 HydrophobicContact CB-CB 3.88Å |
| 488 | H | 72.3 | Confident | 82.4 | Confident | 80 Ų | 80 | 40.2 Ų | 40.2 | 37% | 0.37 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.1 | 175 | -169.2 | 29.8 | 0 | 0 | 0 | 110.4 | R492 N493 E746 | H488-R492 WeakPolarHBondContact CA-O 3.49Å; H488-R492 PolarHBondContact ND1-O 2.81Å; H488-N493 WeakPolarHBondContact CA-OD1 3.44Å; H488-N493 VanDerWaalsContact CB-OD1 3.32Å; H488-N493 WeakPolarHBondContact CB-OD1 3.17Å; H488-N493 PolarHBondContact ND1-OD1 2.78Å; H488-E746 PolarHBondContact N-OE2 2.87Å |
| 489 | I | 64.8 | Low | 82.4 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 133.4 | -176.9 | -58.5 | -179.1 | 0 | 0 | 0 | 108.1 | C487 G491 R492 H496 L742 | C487-I489 HydrophobicContact CB-CD1 4.47Å; C487-I489 HydrophobicContact CB-CG1 4.45Å; I489-G491 VanDerWaalsContact C-N 3.31Å; I489-G491 PolarHBondContact O-N 2.99Å; I489-G491 VanDerWaalsContact O-N 3.14Å; I489-R492 PolarHBondContact N-O 2.87Å; I489-R492 PolarHBondContact O-N 3.44Å; I489-H496 VanDerWaalsContact CD1-CE1 3.49Å; I489-H496 WeakPolarHBondContact CD1-CE1 3.48Å; I489-H496 WeakPolarHBondContact CD1-ND1 3.29Å; I489-L742 HydrophobicContact CD1-CD1 3.75Å |
| 490 | T | 60.1 | Low | 82.5 | Confident | 134 Ų | 134 | 36.1 Ų | 36.1 | 82% | 0.822 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 50.4 | 174.1 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | R492 | T490-R492 VanDerWaalsContact C-N 3.27Å; T490-R492 PolarHBondContact O-N 3.09Å |
| 491 | G | 60.2 | Low | 82.6 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 68% | 0.68 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -6.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I489 | I489-G491 VanDerWaalsContact C-N 3.31Å; I489-G491 PolarHBondContact O-N 2.99Å; I489-G491 VanDerWaalsContact O-N 3.14Å |
| 492 | R | 69 | Low | 82.9 | Confident | 90 Ų | 90 | 34 Ų | 34 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 171.3 | -179.6 | -67.9 | -175 | 173.8 | -174.2 | -2.2 | 112.1 | H488 I489 T490 F494 E545 | H488-R492 WeakPolarHBondContact CA-O 3.49Å; H488-R492 PolarHBondContact ND1-O 2.81Å; I489-R492 PolarHBondContact N-O 2.87Å; I489-R492 PolarHBondContact O-N 3.44Å; T490-R492 VanDerWaalsContact C-N 3.27Å; T490-R492 PolarHBondContact O-N 3.09Å; R492-F494 HydrophobicContact CB-CD2 4.27Å; R492-F494 HydrophobicContact CB-CE1 4.39Å; R492-F494 HydrophobicContact CB-CE2 3.65Å; R492-F494 HydrophobicContact CB-CZ 3.72Å; R492-F494 HydrophobicContact CG-CZ 4.38Å; R492-E545 IonicContact CZ-OE1 3.28Å; R492-E545 IonicContact CZ-OE2 2.63Å; R492-E545 IonicContact NH1-OE1 2.7Å; R492-E545 PolarHBondContact NH1-OE1 2.76Å; R492-E545 IonicContact NH1-OE2 3.39Å; R492-E545 PolarHBondContact NH1-OE2 2.66Å |
| 493 | N | 77.7 | Confident | 83.3 | Confident | 60 Ų | 60 | 34.2 Ų | 34.2 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.4 | 178.6 | -74.9 | -42.9 | 0 | 0 | 0 | 109.5 | M376 M486 C487 H488 | M376-N493 HydrophobicContact SD-CB 4.24Å; M486-N493 VanDerWaalsContact CE-C 3.49Å; M486-N493 HydrophobicContact CE-CB 3.9Å; M486-N493 WeakPolarHBondContact CE-O 3.47Å; C487-N493 WeakPolarHBondContact O-CA 3.39Å; H488-N493 WeakPolarHBondContact CA-OD1 3.44Å; H488-N493 VanDerWaalsContact CB-OD1 3.32Å; H488-N493 WeakPolarHBondContact CB-OD1 3.17Å; H488-N493 PolarHBondContact ND1-OD1 2.78Å |
| 494 | F | 85.6 | Confident | 83.8 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 4% | 0.044 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.3 | -176 | -65.3 | -48.7 | 0 | 0 | 0 | 113.4 | I381 L383 F454 C487 R492 H496 | I381-F494 HydrophobicContact CD1-CE1 3.7Å; I381-F494 HydrophobicContact CD1-CZ 3.63Å; L383-F494 HydrophobicContact CD1-CD1 3.91Å; L383-F494 HydrophobicContact CD1-CE1 3.96Å; L383-F494 HydrophobicContact CD1-CG 4.39Å; L383-F494 HydrophobicContact CD1-CZ 4.43Å; F454-F494 HydrophobicContact CD1-CD1 4.07Å; F454-F494 HydrophobicContact CD1-CE1 4.25Å; F454-F494 HydrophobicContact CE1-CD1 4.2Å; C487-F494 PolarHBondContact N-O 3.38Å; C487-F494 PolarHBondContact O-N 2.68Å; R492-F494 HydrophobicContact CB-CD2 4.27Å; R492-F494 HydrophobicContact CB-CE1 4.39Å; R492-F494 HydrophobicContact CB-CE2 3.65Å; R492-F494 HydrophobicContact CB-CZ 3.72Å; R492-F494 HydrophobicContact CG-CZ 4.38Å; F494-H496 PolarHBondContact O-N 2.85Å; F494-H496 PolarHBondContact O-ND1 3.04Å; F494-H496 VanDerWaalsContact O-ND1 3.08Å |
| 495 | P | 88.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 120.5 | -178.3 | -17.9 | 32.4 | 0 | 0 | 0 | 111.5 | M385 F454 I482 I485 M486 S543 | M385-P495 HydrophobicContact CE-CB 3.96Å; M385-P495 HydrophobicContact CE-CG 3.75Å; F454-P495 HydrophobicContact CD2-CG 4.32Å; F454-P495 HydrophobicContact CE2-CG 3.42Å; F454-P495 VanDerWaalsContact CE2-CG 3.42Å; F454-P495 HydrophobicContact CZ-CG 3.63Å; I482-P495 HydrophobicContact CG2-CB 4.15Å; I482-P495 HydrophobicContact CG2-CG 3.65Å; I485-P495 HydrophobicContact CD1-CB 3.78Å; I485-P495 HydrophobicContact CG1-CB 4.05Å; M486-P495 HydrophobicContact SD-CB 4.5Å; M486-P495 HydrophobicContact SD-CG 3.9Å; P495-S543 VanDerWaalsContact O-CB 3.3Å; P495-S543 WeakPolarHBondContact O-CB 3.38Å; P495-S543 PolarHBondContact O-OG 3.49Å |
| 496 | H | 90.7 | Very high | 84.2 | Confident | 18 Ų | 18 | 28.7 Ų | 28.7 | 8% | 0.083 | 16% | 0.164 | C | C | . | . | trans | -140.6 | 132.2 | -178.1 | -81.2 | 83.3 | 0 | 0 | 0 | 111.5 | I485 C487 I489 F494 I541 S543 L743 | I485-H496 PolarHBondContact O-N 2.81Å; C487-H496 HydrophobicContact CB-CB 3.88Å; I489-H496 VanDerWaalsContact CD1-CE1 3.49Å; I489-H496 WeakPolarHBondContact CD1-CE1 3.48Å; I489-H496 WeakPolarHBondContact CD1-ND1 3.29Å; F494-H496 PolarHBondContact O-N 2.85Å; F494-H496 PolarHBondContact O-ND1 3.04Å; F494-H496 VanDerWaalsContact O-ND1 3.08Å; H496-I541 WeakPolarHBondContact CA-O 3.29Å; H496-S543 PolarHBondContact CE1-N 3.25Å; H496-S543 PolarHBondContact CE1-O 2.89Å; H496-S543 PolarHBondContact NE2-N 3.26Å; H496-S543 PolarHBondContact NE2-O 2.88Å; H496-L743 VanDerWaalsContact O-CD2 3.32Å; H496-L743 WeakPolarHBondContact O-CD2 3.33Å | ||
| 497 | F | 93.7 | Very high | 84.2 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.6 | 179.9 | -177.3 | -83.9 | 0 | 0 | 0 | 109.6 | I485 I502 L539 A540 I541 L743 Q796 | I485-F497 HydrophobicContact CG2-CD2 3.99Å; F497-I502 HydrophobicContact CE1-CG2 4.12Å; F497-I502 HydrophobicContact CE2-CG2 4.32Å; F497-I502 HydrophobicContact CZ-CG2 3.49Å; F497-I502 VanDerWaalsContact CZ-CG2 3.49Å; F497-L539 HydrophobicContact CD1-CD1 3.59Å; F497-L539 HydrophobicContact CD1-CG 4.29Å; F497-L539 HydrophobicContact CE1-CD1 3.79Å; F497-L539 HydrophobicContact CE1-CG 4.04Å; F497-A540 CarbonylContact O-C 3.5Å; F497-A540 WeakPolarHBondContact O-CA 3.46Å; F497-I541 HydrophobicContact CB-CB 3.89Å; F497-I541 HydrophobicContact CB-CD1 4.05Å; F497-I541 HydrophobicContact CB-CG1 3.96Å; F497-I541 PolarHBondContact N-O 3.3Å; F497-I541 PolarHBondContact O-N 2.91Å; F497-L743 HydrophobicContact CD2-CD2 4.19Å; F497-Q796 HydrophobicContact CD2-CG 3.95Å; F497-Q796 HydrophobicContact CE2-CB 4.24Å; F497-Q796 HydrophobicContact CE2-CG 3.67Å; F497-Q796 HydrophobicContact CZ-CG 4.29Å |
| 498 | G | 91 | Very high | 84.2 | Confident | 14 Ų | 14 | 28.8 Ų | 28.8 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.6 | -161.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | S500 | G498-S500 VanDerWaalsContact CA-N 3.26Å |
| 499 | P | 93 | Very high | 84.6 | Confident | 15 Ų | 15 | 25.2 Ų | 25.2 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -54.3 | 125.3 | 2.1 | -24.9 | 34.5 | 0 | 0 | 0 | 113.1 | Y390 L538 L539 A540 V566 | Y390-P499 HydrophobicContact CE2-CB 4.24Å; Y390-P499 HydrophobicContact CE2-CG 4.29Å; P499-L538 HydrophobicContact CB-CD1 4.39Å; P499-L539 WeakPolarHBondContact CA-O 3.21Å; P499-A540 HydrophobicContact CB-CB 4.43Å; P499-A540 HydrophobicContact CG-CB 4.05Å; P499-V566 HydrophobicContact CB-CG1 4.01Å; P499-V566 HydrophobicContact CB-CG2 3.93Å; P499-V566 HydrophobicContact CG-CG2 3.92Å |
| 500 | S | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 149.1 | -179 | -177 | 0 | 0 | 0 | 0 | 110.2 | G498 L538 L539 R676 | G498-S500 VanDerWaalsContact CA-N 3.26Å; S500-L538 VanDerWaalsContact C-CD1 3.49Å; S500-L539 PolarHBondContact N-O 3.2Å; S500-L539 PolarHBondContact O-N 3.26Å; S500-L539 VanDerWaalsContact O-N 3.08Å; S500-R676 PolarHBondContact OG-NH1 2.72Å |
| 501 | W | 94.2 | Very high | 85.3 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 146.6 | 163.3 | -65 | 110.3 | 0 | 0 | 0 | 110.7 | Q391 E393 R536 L537 L538 E671 | Q391-W501 HydrophobicContact CG-CH2 3.94Å; E393-W501 HydrophobicContact CB-CH2 4.07Å; E393-W501 HydrophobicContact CB-CZ3 4.26Å; E393-W501 VanDerWaalsContact CD-CH2 3.49Å; E393-W501 HydrophobicContact CG-CH2 3.64Å; E393-W501 HydrophobicContact CG-CZ2 4.33Å; E393-W501 HydrophobicContact CG-CZ3 4.31Å; W501-R536 HydrophobicContact CD2-CG 4.19Å; W501-R536 VanDerWaalsContact CE2-CZ 3.47Å; W501-R536 HydrophobicContact CE3-CB 3.9Å; W501-R536 HydrophobicContact CE3-CG 3.57Å; W501-R536 HydrophobicContact CZ3-CB 4.42Å; W501-R536 HydrophobicContact CZ3-CG 3.77Å; W501-L537 CarbonylContact C-O 3.56Å; W501-L537 WeakPolarHBondContact CA-O 3.33Å; W501-L537 VanDerWaalsContact CE3-C 3.41Å; W501-L538 HydrophobicContact CD2-CB 3.95Å; W501-L538 HydrophobicContact CD2-CD1 4.37Å; W501-L538 HydrophobicContact CE3-CB 3.64Å; W501-L538 VanDerWaalsContact CE3-N 3.29Å; W501-L538 HydrophobicContact CH2-CB 3.81Å; W501-L538 HydrophobicContact CZ2-CB 4.1Å; W501-L538 HydrophobicContact CZ2-CD2 4.27Å; W501-L538 HydrophobicContact CZ3-CB 3.57Å; W501-E671 VanDerWaalsContact NE1-CD 3.3Å; W501-E671 PolarHBondContact NE1-OE1 2.89Å |
| 502 | I | 94.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.9 | 153 | 54 | 166 | 0 | 0 | 0 | 108.6 | I463 R478 F497 L504 R536 L537 L539 D797 | I463-I502 HydrophobicContact CD1-CD1 4.46Å; R478-I502 HydrophobicContact CB-CD1 3.7Å; R478-I502 HydrophobicContact CG-CD1 3.8Å; F497-I502 HydrophobicContact CE1-CG2 4.12Å; F497-I502 HydrophobicContact CE2-CG2 4.32Å; F497-I502 HydrophobicContact CZ-CG2 3.49Å; F497-I502 VanDerWaalsContact CZ-CG2 3.49Å; I502-L504 HydrophobicContact CD1-CD2 4.06Å; I502-L504 HydrophobicContact CG1-CD2 4.38Å; I502-R536 CarbonylContact O-C 3.51Å; I502-R536 WeakPolarHBondContact O-CA 3.26Å; I502-R536 WeakPolarHBondContact O-CB 3.42Å; I502-L537 HydrophobicContact CD1-CB 4.32Å; I502-L537 HydrophobicContact CD1-CD2 4.36Å; I502-L537 HydrophobicContact CG1-CB 3.9Å; I502-L537 WeakPolarHBondContact CG1-O 3.42Å; I502-L537 PolarHBondContact N-O 2.77Å; I502-L537 PolarHBondContact O-N 2.58Å; I502-L539 HydrophobicContact CD1-CD2 3.7Å; I502-L539 HydrophobicContact CG1-CD2 3.89Å; I502-D797 WeakPolarHBondContact CA-OD2 3.47Å |
| 503 | N | 95.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.1 | 177.3 | -62.7 | -38.3 | 0 | 0 | 0 | 109.4 | Y505 D797 G798 L799 | N503-Y505 HydrophobicContact CB-CE2 3.81Å; N503-D797 PolarHBondContact N-OD2 2.89Å; N503-G798 PolarHBondContact ND2-O 2.96Å; N503-L799 PolarHBondContact ND2-O 3.35Å |
| 504 | L | 94.7 | Very high | 84.8 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.7 | -174.9 | -52.7 | 173.6 | 0 | 0 | 0 | 110 | L395 V465 A476 R478 I502 R534 G535 L537 | L395-L504 HydrophobicContact CD2-CD1 4.19Å; V465-L504 HydrophobicContact CB-CD1 4.49Å; V465-L504 HydrophobicContact CG2-CD1 3.79Å; A476-L504 HydrophobicContact CB-CB 3.88Å; A476-L504 HydrophobicContact CB-CD2 4.46Å; R478-L504 HydrophobicContact CB-CD2 4.43Å; I502-L504 HydrophobicContact CD1-CD2 4.06Å; I502-L504 HydrophobicContact CG1-CD2 4.38Å; L504-R534 HydrophobicContact CB-CB 4.27Å; L504-R534 PolarHBondContact O-N 2.89Å; L504-G535 WeakPolarHBondContact CA-O 3.42Å; L504-G535 WeakPolarHBondContact CB-O 3.04Å; L504-G535 PolarHBondContact N-O 2.78Å; L504-L537 HydrophobicContact CD1-CB 4.48Å |
| 505 | Y | 92.8 | Very high | 83.9 | Confident | 29 Ų | 29 | 24.5 Ų | 24.5 | 11% | 0.114 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.4 | -178.4 | -54.5 | -77.9 | 0 | 0 | 0 | 110.5 | N503 A532 Y533 D801 F803 R817 | N503-Y505 HydrophobicContact CB-CE2 3.81Å; Y505-A532 WeakPolarHBondContact CA-O 3.17Å; Y505-Y533 HydrophobicContact CE1-CD2 4.1Å; Y505-D801 HydrophobicContact CE1-CB 4.03Å; Y505-D801 PolarHBondContact OH-N 2.94Å; Y505-D801 PolarHBondContact OH-OD2 2.86Å; Y505-F803 HydrophobicContact CD1-CE2 4.02Å; Y505-F803 AromaticContact CD1-CZ 3.77Å; Y505-F803 HydrophobicContact CD1-CZ 3.77Å; Y505-F803 AromaticContact CE1-CE2 3.93Å; Y505-F803 HydrophobicContact CE1-CE2 3.93Å; Y505-F803 HydrophobicContact CE1-CZ 4.06Å; Y505-R817 VanDerWaalsContact CE2-NH2 3.34Å |
| 506 | G | 89.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -144.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N524 G530 V531 A532 | G506-N524 WeakPolarHBondContact CA-OD1 3.48Å; G506-G530 CarbonylContact O-C 3.45Å; G506-V531 WeakPolarHBondContact O-CG2 3.28Å; G506-V531 PolarHBondContact O-N 2.96Å; G506-A532 PolarHBondContact N-O 3.07Å; G506-A532 VanDerWaalsContact N-O 3.15Å; G506-A532 PolarHBondContact O-N 2.98Å |
| 507 | T | 86.3 | Confident | 81.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -57.3 | 166.8 | 168.7 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | V521 L523 N524 R534 | T507-V521 HydrophobicContact CG2-CB 4Å; T507-V521 HydrophobicContact CG2-CG1 3.62Å; T507-V521 HydrophobicContact CG2-CG2 4.29Å; T507-L523 HydrophobicContact CG2-CB 4.3Å; T507-L523 HydrophobicContact CG2-CD1 4.32Å; T507-N524 WeakPolarHBondContact CB-OD1 3.47Å; T507-N524 WeakPolarHBondContact CG2-OD1 3.25Å; T507-N524 PolarHBondContact N-OD1 3.37Å; T507-N524 PolarHBondContact OG1-ND2 2.98Å; T507-N524 PolarHBondContact OG1-OD1 3.41Å; T507-R534 VanDerWaalsContact O-CD 3.28Å; T507-R534 WeakPolarHBondContact O-CD 3.46Å |
| 508 | P | 81.1 | Confident | 80 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | trans | -51.4 | 160 | 170.9 | -29.5 | 38 | 0 | 0 | 0 | 114.2 | V531 R534 Q847 | P508-V531 HydrophobicContact CG-CG2 4.16Å; P508-R534 PolarHBondContact O-NH1 2.8Å; P508-Q847 VanDerWaalsContact CG-OE1 3.24Å | ||
| 509 | R | 80.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -69.1 | -41.4 | -177.8 | -67.3 | -171.3 | 65.5 | 88.4 | -3.1 | 113 | D394 L395 P396 Y511 Y533 L604 G614 | D394-R509 VanDerWaalsContact O-CZ 3.28Å; D394-R509 PolarHBondContact O-NH1 2.83Å; D394-R509 PolarHBondContact O-NH2 3.18Å; L395-R509 PolarHBondContact O-NH2 2.95Å; P396-R509 HydrophobicContact CB-CB 4.41Å; R509-Y511 PolarHBondContact O-N 2.91Å; R509-Y533 WeakPolarHBondContact CG-O 3.5Å; R509-Y533 PolarHBondContact NH1-O 3.02Å; R509-Y533 VanDerWaalsContact NH1-O 3.1Å; R509-L604 VanDerWaalsContact CZ-CD2 3.49Å; R509-G614 PolarHBondContact NE-O 2.81Å; R509-G614 VanDerWaalsContact NE-O 3.1Å; R509-G614 PolarHBondContact NH2-O 2.9Å |
| 510 | I | 74.1 | Confident | 76.5 | Confident | 71 Ų | 71 | 41.8 Ų | 41.8 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -68.5 | 116.8 | 173.6 | -60.2 | 169.2 | 0 | 0 | 0 | 109.1 | ||
| 511 | Y | 65.2 | Low | 75.6 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -103.5 | 120.5 | -175.6 | -163 | -110.2 | 0 | 0 | 0 | 111.3 | M398 R509 Q515 M516 P519 | M398-Y511 HydrophobicContact CE-CD1 4.23Å; M398-Y511 HydrophobicContact CE-CD2 4.39Å; M398-Y511 HydrophobicContact CE-CE1 3.77Å; M398-Y511 HydrophobicContact CE-CE2 4Å; M398-Y511 HydrophobicContact CE-CG 4.48Å; M398-Y511 WeakPolarHBondContact O-CD1 3.31Å; M398-Y511 HydrophobicContact SD-CD2 4.34Å; M398-Y511 HydrophobicContact SD-CE2 4.49Å; M398-Y511 HydrophobicContact SD-CG 4.34Å; R509-Y511 PolarHBondContact O-N 2.91Å; Y511-Q515 HydrophobicContact CD2-CB 4.04Å; Y511-Q515 HydrophobicContact CE2-CB 3.75Å; Y511-Q515 PolarHBondContact OH-O 2.87Å; Y511-M516 HydrophobicContact CD1-CB 4.26Å; Y511-M516 HydrophobicContact CE1-CB 3.71Å; Y511-M516 HydrophobicContact CE1-CG 4.1Å; Y511-P519 WeakPolarHBondContact OH-CA 3.28Å |
| 512 | T | 67.4 | Low | 74.9 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 41% | 0.405 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -94.6 | 160 | -173.7 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | A514 Q515 M516 | T512-A514 VanDerWaalsContact C-N 3.26Å; T512-A514 PolarHBondContact O-N 2.65Å; T512-Q515 PolarHBondContact O-N 2.95Å; T512-Q515 VanDerWaalsContact OG1-CD 3.22Å; T512-Q515 WeakPolarHBondContact OG1-CG 3.17Å; T512-Q515 PolarHBondContact OG1-N 2.95Å; T512-Q515 PolarHBondContact OG1-OE1 3.36Å; T512-M516 PolarHBondContact O-N 2.87Å |
| 513 | Y | 64.8 | Low | 74.4 | Confident | 122 Ų | 122 | 45.1 Ų | 45.1 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.2 | -33.6 | 176.7 | -174 | -95 | 0 | 0 | 0 | 113.4 | T400 Q515 M516 L517 | T400-Y513 HydrophobicContact CG2-CD2 4.34Å; Y513-Q515 PolarHBondContact O-N 2.78Å; Y513-M516 HydrophobicContact CD2-CE 3.59Å; Y513-M516 HydrophobicContact CD2-SD 4.18Å; Y513-M516 HydrophobicContact CE2-CE 3.44Å; Y513-M516 VanDerWaalsContact CE2-CE 3.44Å; Y513-M516 PolarHBondContact O-N 2.86Å; Y513-L517 HydrophobicContact CD1-CD1 4.12Å; Y513-L517 HydrophobicContact CD1-CG 4.38Å; Y513-L517 HydrophobicContact CE1-CD1 3.76Å; Y513-L517 HydrophobicContact CE1-CD2 4.32Å; Y513-L517 HydrophobicContact CE1-CG 4.06Å; Y513-L517 WeakPolarHBondContact O-CG 3.31Å; Y513-L517 PolarHBondContact O-N 3.24Å; Y513-L517 VanDerWaalsContact O-N 3.08Å |
| 514 | A | 64.7 | Low | 74.1 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 56% | 0.562 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.4 | -39.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T512 | T512-A514 VanDerWaalsContact C-N 3.26Å; T512-A514 PolarHBondContact O-N 2.65Å |
| 515 | Q | 66.1 | Low | 73.7 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72 | -36.3 | 174.9 | -69 | 156.8 | -34.3 | 0 | 0 | 111.8 | Y511 T512 Y513 L517 Q518 | Y511-Q515 HydrophobicContact CD2-CB 4.04Å; Y511-Q515 HydrophobicContact CE2-CB 3.75Å; Y511-Q515 PolarHBondContact OH-O 2.87Å; T512-Q515 PolarHBondContact O-N 2.95Å; T512-Q515 VanDerWaalsContact OG1-CD 3.22Å; T512-Q515 WeakPolarHBondContact OG1-CG 3.17Å; T512-Q515 PolarHBondContact OG1-N 2.95Å; T512-Q515 PolarHBondContact OG1-OE1 3.36Å; Y513-Q515 PolarHBondContact O-N 2.78Å; Q515-L517 VanDerWaalsContact C-N 3.28Å; Q515-L517 PolarHBondContact O-N 3.39Å; Q515-Q518 CarbonylContact O-C 3.58Å; Q515-Q518 WeakPolarHBondContact O-CA 3.38Å; Q515-Q518 PolarHBondContact O-N 3.29Å |
| 516 | M | 61.4 | Low | 73.3 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -30.5 | 175.8 | -166.7 | -155.3 | 78 | 0 | 0 | 113 | T400 E473 Y511 T512 Y513 Q518 | T400-M516 HydrophobicContact CG2-CB 4.01Å; T400-M516 HydrophobicContact CG2-CG 4.22Å; T400-M516 HydrophobicContact CG2-SD 3.61Å; E473-M516 WeakPolarHBondContact OE1-CG 3.33Å; Y511-M516 HydrophobicContact CD1-CB 4.26Å; Y511-M516 HydrophobicContact CE1-CB 3.71Å; Y511-M516 HydrophobicContact CE1-CG 4.1Å; T512-M516 PolarHBondContact O-N 2.87Å; Y513-M516 HydrophobicContact CD2-CE 3.59Å; Y513-M516 HydrophobicContact CD2-SD 4.18Å; Y513-M516 HydrophobicContact CE2-CE 3.44Å; Y513-M516 VanDerWaalsContact CE2-CE 3.44Å; Y513-M516 PolarHBondContact O-N 2.86Å; M516-Q518 VanDerWaalsContact C-N 3.27Å; M516-Q518 PolarHBondContact O-N 2.75Å |
| 517 | L | 63.9 | Low | 73.1 | Confident | 94 Ų | 94 | 47 Ų | 47 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.9 | -23.4 | 171.5 | -71.6 | 173.7 | 0 | 0 | 0 | 113.1 | Y513 Q515 P519 | Y513-L517 HydrophobicContact CD1-CD1 4.12Å; Y513-L517 HydrophobicContact CD1-CG 4.38Å; Y513-L517 HydrophobicContact CE1-CD1 3.76Å; Y513-L517 HydrophobicContact CE1-CD2 4.32Å; Y513-L517 HydrophobicContact CE1-CG 4.06Å; Y513-L517 WeakPolarHBondContact O-CG 3.31Å; Y513-L517 PolarHBondContact O-N 3.24Å; Y513-L517 VanDerWaalsContact O-N 3.08Å; Q515-L517 VanDerWaalsContact C-N 3.28Å; Q515-L517 PolarHBondContact O-N 3.39Å; L517-P519 VanDerWaalsContact C-CD 3.47Å; L517-P519 WeakPolarHBondContact O-CD 3.3Å |
| 518 | Q | 65.2 | Low | 72.8 | Confident | 141 Ų | 141 | 47.3 Ų | 47.3 | 66% | 0.659 | 25% | 0.251 | S | S | * | . | trans | -124.5 | 62 | -178.4 | -60.2 | -176.2 | 5.7 | 0 | 0 | 110.6 | Q515 M516 E520 V521 | Q515-Q518 CarbonylContact O-C 3.58Å; Q515-Q518 WeakPolarHBondContact O-CA 3.38Å; Q515-Q518 PolarHBondContact O-N 3.29Å; M516-Q518 VanDerWaalsContact C-N 3.27Å; M516-Q518 PolarHBondContact O-N 2.75Å; Q518-E520 PolarHBondContact O-N 2.95Å; Q518-V521 WeakPolarHBondContact O-CG2 3.32Å; Q518-V521 PolarHBondContact O-N 3.08Å | ||
| 519 | P | 51.7 | Low | 72.8 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | trans | -64.2 | -20 | -171.6 | 27.5 | -35.5 | 0 | 0 | 0 | 113.5 | E473 Y511 L517 V521 | E473-P519 HydrophobicContact CB-CB 4.04Å; E473-P519 HydrophobicContact CG-CB 4.15Å; Y511-P519 WeakPolarHBondContact OH-CA 3.28Å; L517-P519 VanDerWaalsContact C-CD 3.47Å; L517-P519 WeakPolarHBondContact O-CD 3.3Å; P519-V521 PolarHBondContact O-N 3.25Å; P519-V521 VanDerWaalsContact O-N 3.09Å | ||
| 520 | E | 59.8 | Low | 73.1 | Confident | 118 Ų | 118 | 47.7 Ų | 47.7 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | trans | -78.3 | 42.9 | 170.5 | -70.7 | -168.8 | -127.8 | 0 | 0 | 112.4 | Q518 E522 Q525 | Q518-E520 PolarHBondContact O-N 2.95Å; E520-E522 PolarHBondContact O-N 3.06Å; E520-Q525 VanDerWaalsContact CB-NE2 3.34Å; E520-Q525 PolarHBondContact OE2-NE2 3.31Å | ||
| 521 | V | 74.6 | Confident | 73.6 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | trans | -63.9 | 129.2 | 174 | -168.2 | 0 | 0 | 0 | 0 | 109.6 | T507 Q518 P519 L523 N524 Q525 | T507-V521 HydrophobicContact CG2-CB 4Å; T507-V521 HydrophobicContact CG2-CG1 3.62Å; T507-V521 HydrophobicContact CG2-CG2 4.29Å; Q518-V521 WeakPolarHBondContact O-CG2 3.32Å; Q518-V521 PolarHBondContact O-N 3.08Å; P519-V521 PolarHBondContact O-N 3.25Å; P519-V521 VanDerWaalsContact O-N 3.09Å; V521-L523 VanDerWaalsContact C-N 3.26Å; V521-L523 PolarHBondContact O-N 3.3Å; V521-L523 VanDerWaalsContact O-N 3.1Å; V521-N524 WeakPolarHBondContact O-CA 3.12Å; V521-N524 PolarHBondContact O-N 3Å; V521-Q525 PolarHBondContact O-N 2.79Å; V521-Q525 VanDerWaalsContact O-N 3.14Å | ||
| 522 | E | 78.1 | Confident | 74.6 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -43 | -174.8 | -66.7 | 172.6 | 130 | 0 | 0 | 113.6 | I208 E520 N524 Q525 A526 L527 R849 | I208-E522 HydrophobicContact CD1-CB 4.15Å; I208-E522 WeakPolarHBondContact CD1-OE2 3.44Å; I208-E522 HydrophobicContact CG2-CB 4.27Å; E520-E522 PolarHBondContact O-N 3.06Å; E522-N524 PolarHBondContact O-N 3.43Å; E522-Q525 PolarHBondContact O-N 3.16Å; E522-Q525 VanDerWaalsContact O-N 3.12Å; E522-A526 PolarHBondContact O-N 3.09Å; E522-L527 HydrophobicContact CB-CB 4.1Å; E522-L527 WeakPolarHBondContact O-CB 3.48Å; E522-L527 PolarHBondContact O-N 2.97Å; E522-R849 VanDerWaalsContact CD-NH2 3.31Å; E522-R849 IonicContact OE1-CZ 3.99Å; E522-R849 IonicContact OE1-NE 3.66Å; E522-R849 PolarHBondContact OE1-NE 2.84Å; E522-R849 IonicContact OE1-NH2 3.21Å; E522-R849 PolarHBondContact OE1-NH2 2.77Å; E522-R849 IonicContact OE2-CZ 2.92Å; E522-R849 IonicContact OE2-NE 3.89Å; E522-R849 PolarHBondContact OE2-NE 3.33Å; E522-R849 IonicContact OE2-NH2 3.83Å; E522-R849 PolarHBondContact OE2-NH2 3.15Å |
| 523 | L | 84.4 | Confident | 75.8 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -39.1 | 177 | -63.4 | 175.3 | 0 | 0 | 0 | 113 | I208 T507 V521 Q525 A526 E529 V531 | I208-L523 HydrophobicContact CD1-CD2 4.23Å; I208-L523 HydrophobicContact CD1-CG 4.22Å; I208-L523 HydrophobicContact CG1-CD2 3.71Å; I208-L523 HydrophobicContact CG1-CG 4.24Å; T507-L523 HydrophobicContact CG2-CB 4.3Å; T507-L523 HydrophobicContact CG2-CD1 4.32Å; V521-L523 VanDerWaalsContact C-N 3.26Å; V521-L523 PolarHBondContact O-N 3.3Å; V521-L523 VanDerWaalsContact O-N 3.1Å; L523-Q525 VanDerWaalsContact C-N 3.28Å; L523-A526 PolarHBondContact O-N 2.91Å; L523-E529 WeakPolarHBondContact CD2-O 3.12Å; L523-V531 HydrophobicContact CD1-CG1 3.93Å; L523-V531 HydrophobicContact CD1-CG2 4.25Å |
| 524 | N | 88.7 | Confident | 77 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -21.3 | 177.2 | -65.6 | 4.6 | 0 | 0 | 0 | 111.4 | L474 A476 T477 G506 T507 V521 E522 A526 | L474-N524 HydrophobicContact CD2-CB 4.27Å; L474-N524 WeakPolarHBondContact CD2-O 3.25Å; L474-N524 HydrophobicContact CG-CB 4.27Å; L474-N524 PolarHBondContact O-ND2 2.95Å; A476-N524 CarbonylContact C-O 3.59Å; A476-N524 WeakPolarHBondContact CA-O 3.49Å; T477-N524 PolarHBondContact N-O 2.91Å; T477-N524 PolarHBondContact OG1-O 3.01Å; G506-N524 WeakPolarHBondContact CA-OD1 3.48Å; T507-N524 WeakPolarHBondContact CB-OD1 3.47Å; T507-N524 WeakPolarHBondContact CG2-OD1 3.25Å; T507-N524 PolarHBondContact N-OD1 3.37Å; T507-N524 PolarHBondContact OG1-ND2 2.98Å; T507-N524 PolarHBondContact OG1-OD1 3.41Å; V521-N524 WeakPolarHBondContact O-CA 3.12Å; V521-N524 PolarHBondContact O-N 3Å; E522-N524 PolarHBondContact O-N 3.43Å; N524-A526 VanDerWaalsContact C-N 3.28Å |
| 525 | Q | 86.3 | Confident | 78.4 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.3 | 173.8 | -67.7 | -169.1 | -29.9 | 0 | 0 | 114.2 | R462 L474 E520 V521 E522 L523 L527 | R462-Q525 PolarHBondContact NH2-O 3.33Å; L474-Q525 HydrophobicContact CD2-CB 4.4Å; L474-Q525 HydrophobicContact CD2-CG 3.63Å; E520-Q525 VanDerWaalsContact CB-NE2 3.34Å; E520-Q525 PolarHBondContact OE2-NE2 3.31Å; V521-Q525 PolarHBondContact O-N 2.79Å; V521-Q525 VanDerWaalsContact O-N 3.14Å; E522-Q525 PolarHBondContact O-N 3.16Å; E522-Q525 VanDerWaalsContact O-N 3.12Å; L523-Q525 VanDerWaalsContact C-N 3.28Å; Q525-L527 VanDerWaalsContact C-N 3.33Å; Q525-L527 HydrophobicContact CB-CD1 4.23Å; Q525-L527 HydrophobicContact CB-CG 3.94Å |
| 526 | A | 86.3 | Confident | 79.7 | Confident | 28 Ų | 28 | 30.5 Ų | 30.5 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 29.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T477 E522 L523 N524 G528 | T477-A526 HydrophobicContact CG2-CB 4.29Å; E522-A526 PolarHBondContact O-N 3.09Å; L523-A526 PolarHBondContact O-N 2.91Å; N524-A526 VanDerWaalsContact C-N 3.28Å; A526-G528 VanDerWaalsContact C-N 3.3Å |
| 527 | L | 83.8 | Confident | 81.4 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -92.7 | 20.8 | 175.5 | -53.5 | -176.8 | 0 | 0 | 0 | 113.1 | I208 Y209 I270 E522 Q525 | I208-L527 WeakPolarHBondContact CG2-O 3.37Å; Y209-L527 WeakPolarHBondContact CD2-O 3.36Å; Y209-L527 PolarHBondContact N-O 2.83Å; I270-L527 HydrophobicContact CG2-CD2 3.82Å; E522-L527 HydrophobicContact CB-CB 4.1Å; E522-L527 WeakPolarHBondContact O-CB 3.48Å; E522-L527 PolarHBondContact O-N 2.97Å; Q525-L527 VanDerWaalsContact C-N 3.33Å; Q525-L527 HydrophobicContact CB-CD1 4.23Å; Q525-L527 HydrophobicContact CB-CG 3.94Å |
| 528 | G | 80.2 | Confident | 83 | Confident | 10 Ų | 10 | 24.4 Ų | 24.4 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -176.7 | -178.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T207 A526 G530 | T207-G528 CarbonylContact O-C 3.58Å; T207-G528 WeakPolarHBondContact O-CA 3.42Å; A526-G528 VanDerWaalsContact C-N 3.3Å; G528-G530 PolarHBondContact O-N 2.99Å; G528-G530 VanDerWaalsContact O-N 3.09Å |
| 529 | E | 82.1 | Confident | 84.5 | Confident | 35 Ų | 35 | 17.8 Ų | 17.8 | 16% | 0.164 | 10% | 0.098 | C | C | . | . | trans | -72.6 | 96.6 | 175 | -172.9 | -174.6 | 167.1 | 0 | 0 | 109.8 | T207 L523 V531 R845 | T207-E529 PolarHBondContact O-N 2.99Å; L523-E529 WeakPolarHBondContact CD2-O 3.12Å; E529-V531 WeakPolarHBondContact O-CG1 3.3Å; E529-V531 PolarHBondContact O-N 3.28Å; E529-V531 VanDerWaalsContact O-N 3.15Å; E529-R845 VanDerWaalsContact CD-NH2 3.26Å; E529-R845 IonicContact OE1-CZ 3.69Å; E529-R845 IonicContact OE1-NH2 3.1Å; E529-R845 PolarHBondContact OE1-NH2 3.49Å; E529-R845 IonicContact OE2-CZ 3.82Å; E529-R845 VanDerWaalsContact OE2-CZ 3.22Å; E529-R845 IonicContact OE2-NH1 3.84Å; E529-R845 PolarHBondContact OE2-NH1 2.93Å; E529-R845 IonicContact OE2-NH2 2.74Å; E529-R845 PolarHBondContact OE2-NH2 3.05Å | ||
| 530 | G | 85.7 | Confident | 86.6 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | trans | -52.1 | 121.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G506 G528 F803 R817 | G506-G530 CarbonylContact O-C 3.45Å; G528-G530 PolarHBondContact O-N 2.99Å; G528-G530 VanDerWaalsContact O-N 3.09Å; G530-F803 WeakPolarHBondContact O-CE1 3.41Å; G530-R817 WeakPolarHBondContact O-CD 3.41Å; G530-R817 PolarHBondContact O-NH1 2.87Å | ||
| 531 | V | 85.2 | Confident | 88.2 | Confident | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.024 | 7% | 0.065 | C | C | . | . | trans | -88.4 | -6.3 | -166.8 | -51.4 | 0 | 0 | 0 | 0 | 114 | G506 P508 L523 E529 F803 F815 Q847 | G506-V531 WeakPolarHBondContact O-CG2 3.28Å; G506-V531 PolarHBondContact O-N 2.96Å; P508-V531 HydrophobicContact CG-CG2 4.16Å; L523-V531 HydrophobicContact CD1-CG1 3.93Å; L523-V531 HydrophobicContact CD1-CG2 4.25Å; E529-V531 WeakPolarHBondContact O-CG1 3.3Å; E529-V531 PolarHBondContact O-N 3.28Å; E529-V531 VanDerWaalsContact O-N 3.15Å; V531-F803 VanDerWaalsContact O-CD1 3.32Å; V531-F803 WeakPolarHBondContact O-CD1 3.2Å; V531-F803 WeakPolarHBondContact O-CE1 3.33Å; V531-F815 HydrophobicContact CB-CD1 4.42Å; V531-F815 HydrophobicContact CB-CD2 4.06Å; V531-F815 HydrophobicContact CB-CE1 4.3Å; V531-F815 HydrophobicContact CB-CE2 3.92Å; V531-F815 HydrophobicContact CB-CG 4.33Å; V531-F815 HydrophobicContact CB-CZ 4.06Å; V531-F815 HydrophobicContact CG1-CD1 4.3Å; V531-F815 HydrophobicContact CG1-CD2 4.39Å; V531-F815 HydrophobicContact CG1-CE1 3.73Å; V531-F815 HydrophobicContact CG1-CE2 3.83Å; V531-F815 HydrophobicContact CG1-CZ 3.47Å; V531-F815 VanDerWaalsContact CG1-CZ 3.47Å; V531-Q847 HydrophobicContact CB-CG 4.21Å; V531-Q847 HydrophobicContact CG1-CB 4.31Å; V531-Q847 HydrophobicContact CG1-CG 4.26Å; V531-Q847 HydrophobicContact CG2-CB 4.49Å; V531-Q847 HydrophobicContact CG2-CG 4.18Å | ||
| 532 | A | 87.4 | Confident | 89 | Confident | 13 Ų | 13 | 15.1 Ų | 15.1 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 159.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y505 G506 | Y505-A532 WeakPolarHBondContact CA-O 3.17Å; G506-A532 PolarHBondContact N-O 3.07Å; G506-A532 VanDerWaalsContact N-O 3.15Å; G506-A532 PolarHBondContact O-N 2.98Å |
| 533 | Y | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 13.9 Ų | 13.9 | 2% | 0.02 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.6 | 173.6 | 173.9 | -109 | 0 | 0 | 0 | 112 | D394 Y505 R509 G535 R536 L604 P800 | D394-Y533 HydrophobicContact CB-CE1 3.66Å; D394-Y533 VanDerWaalsContact OD2-CE1 3.29Å; D394-Y533 WeakPolarHBondContact OD2-CE1 3.34Å; D394-Y533 PolarHBondContact OD2-OH 2.85Å; Y505-Y533 HydrophobicContact CE1-CD2 4.1Å; R509-Y533 WeakPolarHBondContact CG-O 3.5Å; R509-Y533 PolarHBondContact NH1-O 3.02Å; R509-Y533 VanDerWaalsContact NH1-O 3.1Å; Y533-G535 WeakPolarHBondContact CE2-O 3.46Å; Y533-R536 WeakPolarHBondContact OH-CD 3.31Å; Y533-R536 WeakPolarHBondContact OH-CG 3.28Å; Y533-L604 HydrophobicContact CE1-CG 4.2Å; Y533-P800 HydrophobicContact CD2-CB 4.14Å; Y533-P800 HydrophobicContact CE2-CB 3.94Å; Y533-P800 HydrophobicContact CE2-CG 4.09Å |
| 534 | R | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 17.9 | -174.4 | -63.1 | -74.7 | -84.7 | 178.5 | 11 | 112.6 | P396 M398 I475 A476 L504 T507 P508 | P396-R534 VanDerWaalsContact CD-O 3.29Å; P396-R534 WeakPolarHBondContact CD-O 3.42Å; M398-R534 PolarHBondContact SD-NH2 3.25Å; I475-R534 PolarHBondContact O-NE 2.74Å; I475-R534 VanDerWaalsContact O-NE 3.11Å; I475-R534 PolarHBondContact O-NH2 2.88Å; A476-R534 HydrophobicContact CB-CB 4.39Å; L504-R534 HydrophobicContact CB-CB 4.27Å; L504-R534 PolarHBondContact O-N 2.89Å; T507-R534 VanDerWaalsContact O-CD 3.28Å; T507-R534 WeakPolarHBondContact O-CD 3.46Å; P508-R534 PolarHBondContact O-NH1 2.8Å |
| 535 | G | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.5 | -166.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E393 L504 Y533 | E393-G535 WeakPolarHBondContact O-CA 3.33Å; L504-G535 WeakPolarHBondContact CA-O 3.42Å; L504-G535 WeakPolarHBondContact CB-O 3.04Å; L504-G535 PolarHBondContact N-O 2.78Å; Y533-G535 WeakPolarHBondContact CE2-O 3.46Å |
| 536 | R | 95.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 149.6 | -176.2 | 60.3 | -175.6 | -159.1 | 146.6 | 8.4 | 112.4 | A392 E393 W501 I502 Y533 E671 | A392-R536 CarbonylContact C-O 3.58Å; A392-R536 WeakPolarHBondContact CA-O 3.38Å; A392-R536 VanDerWaalsContact CB-O 3.29Å; A392-R536 WeakPolarHBondContact CB-O 3.32Å; E393-R536 HydrophobicContact CB-CG 3.93Å; E393-R536 PolarHBondContact N-O 3.47Å; E393-R536 PolarHBondContact O-N 2.89Å; E393-R536 IonicContact OE1-NH2 3.63Å; E393-R536 IonicContact OE2-CZ 3.25Å; E393-R536 IonicContact OE2-NE 3.13Å; E393-R536 PolarHBondContact OE2-NE 3.47Å; E393-R536 IonicContact OE2-NH2 2.67Å; E393-R536 PolarHBondContact OE2-NH2 2.71Å; W501-R536 HydrophobicContact CD2-CG 4.19Å; W501-R536 VanDerWaalsContact CE2-CZ 3.47Å; W501-R536 HydrophobicContact CE3-CB 3.9Å; W501-R536 HydrophobicContact CE3-CG 3.57Å; W501-R536 HydrophobicContact CZ3-CB 4.42Å; W501-R536 HydrophobicContact CZ3-CG 3.77Å; I502-R536 CarbonylContact O-C 3.51Å; I502-R536 WeakPolarHBondContact O-CA 3.26Å; I502-R536 WeakPolarHBondContact O-CB 3.42Å; Y533-R536 WeakPolarHBondContact OH-CD 3.31Å; Y533-R536 WeakPolarHBondContact OH-CG 3.28Å; R536-E671 IonicContact CZ-OE1 2.75Å; R536-E671 IonicContact CZ-OE2 2.89Å; R536-E671 VanDerWaalsContact CZ-OE2 3.31Å; R536-E671 IonicContact NH1-OE1 2.74Å; R536-E671 IonicContact NH1-OE2 3.66Å; R536-E671 PolarHBondContact NH1-OE2 2.85Å; R536-E671 IonicContact NH2-OE1 2.79Å; R536-E671 PolarHBondContact NH2-OE1 2.78Å; R536-E671 IonicContact NH2-OE2 3.72Å; R536-E671 PolarHBondContact NH2-OE2 3.4Å |
| 537 | L | 96.9 | Very high | 88 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125 | -176.2 | -177.9 | 70.8 | 0 | 0 | 0 | 111 | I389 A392 V422 W444 I463 V465 W501 I502 L504 L539 | I389-L537 HydrophobicContact CG2-CD1 4.12Å; A392-L537 HydrophobicContact CB-CD1 3.89Å; V422-L537 HydrophobicContact CG1-CD2 4.04Å; V422-L537 HydrophobicContact CG2-CD1 3.86Å; V422-L537 HydrophobicContact CG2-CD2 4.07Å; W444-L537 HydrophobicContact CE3-CD1 4.36Å; W444-L537 HydrophobicContact CH2-CD1 4.32Å; W444-L537 HydrophobicContact CZ3-CD1 3.56Å; I463-L537 HydrophobicContact CG2-CD2 3.88Å; V465-L537 HydrophobicContact CG2-CD2 4.33Å; W501-L537 CarbonylContact C-O 3.56Å; W501-L537 WeakPolarHBondContact CA-O 3.33Å; W501-L537 VanDerWaalsContact CE3-C 3.41Å; I502-L537 HydrophobicContact CD1-CB 4.32Å; I502-L537 HydrophobicContact CD1-CD2 4.36Å; I502-L537 HydrophobicContact CG1-CB 3.9Å; I502-L537 WeakPolarHBondContact CG1-O 3.42Å; I502-L537 PolarHBondContact N-O 2.77Å; I502-L537 PolarHBondContact O-N 2.58Å; L504-L537 HydrophobicContact CD1-CB 4.48Å; L537-L539 HydrophobicContact CD2-CD2 3.78Å; L537-L539 HydrophobicContact CG-CD2 4.1Å |
| 538 | L | 96.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.7 | 176.5 | 179.9 | 59 | 0 | 0 | 0 | 109.6 | Y390 Q391 P499 S500 W501 V562 V566 | Y390-L538 HydrophobicContact CD2-CG 4.15Å; Y390-L538 PolarHBondContact N-O 3.4Å; Q391-L538 HydrophobicContact CG-CB 4.01Å; Q391-L538 HydrophobicContact CG-CD2 4.1Å; Q391-L538 PolarHBondContact O-N 2.63Å; P499-L538 HydrophobicContact CB-CD1 4.39Å; S500-L538 VanDerWaalsContact C-CD1 3.49Å; W501-L538 HydrophobicContact CD2-CB 3.95Å; W501-L538 HydrophobicContact CD2-CD1 4.37Å; W501-L538 HydrophobicContact CE3-CB 3.64Å; W501-L538 VanDerWaalsContact CE3-N 3.29Å; W501-L538 HydrophobicContact CH2-CB 3.81Å; W501-L538 HydrophobicContact CZ2-CB 4.1Å; W501-L538 HydrophobicContact CZ2-CD2 4.27Å; W501-L538 HydrophobicContact CZ3-CB 3.57Å; L538-V562 HydrophobicContact CD2-CG2 4.14Å; L538-V566 HydrophobicContact CD2-CG1 4.24Å |
| 539 | L | 96.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 162.2 | -178.3 | 70.4 | 99.6 | 0 | 0 | 0 | 112.7 | S388 I463 F497 P499 S500 I502 L537 I541 | S388-L539 CarbonylContact O-C 3.57Å; S388-L539 WeakPolarHBondContact O-CA 3.49Å; S388-L539 WeakPolarHBondContact O-CB 3.37Å; I463-L539 HydrophobicContact CD1-CD1 4.35Å; I463-L539 HydrophobicContact CD1-CD2 3.72Å; F497-L539 HydrophobicContact CD1-CD1 3.59Å; F497-L539 HydrophobicContact CD1-CG 4.29Å; F497-L539 HydrophobicContact CE1-CD1 3.79Å; F497-L539 HydrophobicContact CE1-CG 4.04Å; P499-L539 WeakPolarHBondContact CA-O 3.21Å; S500-L539 PolarHBondContact N-O 3.2Å; S500-L539 PolarHBondContact O-N 3.26Å; S500-L539 VanDerWaalsContact O-N 3.08Å; I502-L539 HydrophobicContact CD1-CD2 3.7Å; I502-L539 HydrophobicContact CG1-CD2 3.89Å; L537-L539 HydrophobicContact CD2-CD2 3.78Å; L537-L539 HydrophobicContact CG-CD2 4.1Å; L539-I541 HydrophobicContact CD1-CD1 4.43Å; L539-I541 HydrophobicContact CD1-CG1 4Å |
| 540 | A | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V387 S388 Y390 F497 P499 | V387-A540 CarbonylContact C-O 3.56Å; V387-A540 WeakPolarHBondContact CA-O 3.43Å; S388-A540 PolarHBondContact N-O 3.09Å; S388-A540 PolarHBondContact O-N 2.72Å; Y390-A540 HydrophobicContact CE2-CB 3.85Å; F497-A540 CarbonylContact O-C 3.5Å; F497-A540 WeakPolarHBondContact O-CA 3.46Å; P499-A540 HydrophobicContact CB-CB 4.43Å; P499-A540 HydrophobicContact CG-CB 4.05Å |
| 541 | I | 95.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.9 | 168.3 | -54.6 | 175.5 | 0 | 0 | 0 | 106.4 | M385 V387 I461 I480 I485 H496 F497 L539 | M385-I541 HydrophobicContact CG-CG2 3.72Å; M385-I541 HydrophobicContact SD-CG2 3.86Å; V387-I541 HydrophobicContact CG1-CG1 4.38Å; V387-I541 HydrophobicContact CG2-CG1 4.3Å; V387-I541 HydrophobicContact CG2-CG2 4.42Å; I461-I541 HydrophobicContact CD1-CD1 3.9Å; I480-I541 HydrophobicContact CD1-CD1 4.26Å; I485-I541 HydrophobicContact CD1-CD1 4.01Å; H496-I541 WeakPolarHBondContact CA-O 3.29Å; F497-I541 HydrophobicContact CB-CB 3.89Å; F497-I541 HydrophobicContact CB-CD1 4.05Å; F497-I541 HydrophobicContact CB-CG1 3.96Å; F497-I541 PolarHBondContact N-O 3.3Å; F497-I541 PolarHBondContact O-N 2.91Å; L539-I541 HydrophobicContact CD1-CD1 4.43Å; L539-I541 HydrophobicContact CD1-CG1 4Å |
| 542 | R | 91.5 | Very high | 83.8 | Confident | 119 Ų | 119 | 46.3 Ų | 46.3 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.1 | 174.5 | -65.4 | -176.5 | 179.5 | 176 | 0.7 | 109.6 | M385 K386 M544 | M385-R542 CarbonylContact C-O 3.54Å; K386-R542 PolarHBondContact N-O 3.11Å; K386-R542 PolarHBondContact O-N 3.07Å; R542-M544 HydrophobicContact CB-CE 4.3Å |
| 543 | S | 90.2 | Very high | 83.5 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.6 | -173 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | S384 P495 H496 | S384-S543 WeakPolarHBondContact O-CA 3.46Å; P495-S543 VanDerWaalsContact O-CB 3.3Å; P495-S543 WeakPolarHBondContact O-CB 3.38Å; P495-S543 PolarHBondContact O-OG 3.49Å; H496-S543 PolarHBondContact CE1-N 3.25Å; H496-S543 PolarHBondContact CE1-O 2.89Å; H496-S543 PolarHBondContact NE2-N 3.26Å; H496-S543 PolarHBondContact NE2-O 2.88Å |
| 544 | M | 84.3 | Confident | 83.3 | Confident | 86 Ų | 86 | 49 Ų | 49 | 42% | 0.424 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.1 | -175.6 | -54.7 | 176.5 | -166.2 | 0 | 0 | 109 | L383 S384 K386 R542 | L383-M544 CarbonylContact C-O 3.48Å; L383-M544 WeakPolarHBondContact CA-O 3.36Å; L383-M544 WeakPolarHBondContact CD1-O 3.15Å; S384-M544 PolarHBondContact N-O 3.04Å; S384-M544 PolarHBondContact O-N 3.13Å; K386-M544 HydrophobicContact CD-CE 4.36Å; R542-M544 HydrophobicContact CB-CE 4.3Å |
| 545 | E | 82.8 | Confident | 83 | Confident | 83 Ų | 83 | 50.9 Ų | 50.9 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.5 | 166.9 | -177.2 | 159.4 | -167.4 | 0 | 0 | 108.3 | I381 R492 | I381-E545 HydrophobicContact CD1-CB 4.05Å; I381-E545 HydrophobicContact CD1-CG 3.76Å; I381-E545 WeakPolarHBondContact CD1-OE2 3.24Å; I381-E545 WeakPolarHBondContact CG2-OE1 3.29Å; R492-E545 IonicContact CZ-OE1 3.28Å; R492-E545 IonicContact CZ-OE2 2.63Å; R492-E545 IonicContact NH1-OE1 2.7Å; R492-E545 PolarHBondContact NH1-OE1 2.76Å; R492-E545 IonicContact NH1-OE2 3.39Å; R492-E545 PolarHBondContact NH1-OE2 2.66Å |
| 546 | D | 74.4 | Confident | 82.8 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.219 | 27% | 0.274 | C | S | . | . | trans | -147.8 | 107.9 | -164.2 | -167.6 | -21.1 | 0 | 0 | 0 | 109.9 | M382 S384 D548 V549 | M382-D546 PolarHBondContact O-N 2.79Å; S384-D546 WeakPolarHBondContact CB-OD2 3.32Å; D546-D548 PolarHBondContact OD1-N 2.69Å; D546-V549 HydrophobicContact CB-CG2 3.64Å; D546-V549 WeakPolarHBondContact O-CG2 3.46Å | ||
| 547 | E | 70.1 | Confident | 82.5 | Confident | 161 Ų | 161 | 58.6 Ų | 58.6 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -87.4 | -14.4 | -178.3 | -62.5 | -168.9 | 157.8 | 0 | 0 | 112.8 | W330 V549 | W330-E547 VanDerWaalsContact CH2-O 3.25Å; W330-E547 WeakPolarHBondContact CH2-O 3.42Å; W330-E547 VanDerWaalsContact CZ2-O 3.26Å; W330-E547 WeakPolarHBondContact CZ2-O 3.19Å; E547-V549 VanDerWaalsContact C-N 3.27Å; E547-V549 PolarHBondContact O-N 3.04Å |
| 548 | D | 65.5 | Low | 82 | Confident | 147 Ų | 147 | 64.5 Ų | 64.5 | 79% | 0.786 | 33% | 0.327 | S | S | * | . | trans | -84.3 | -0.2 | -178.3 | -73.5 | -41.3 | 0 | 0 | 0 | 112.9 | D546 V550 | D546-D548 PolarHBondContact OD1-N 2.69Å; D548-V550 WeakPolarHBondContact O-CG2 3.24Å; D548-V550 PolarHBondContact O-N 2.85Å | ||
| 549 | V | 58.1 | Low | 81.6 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | trans | -67.4 | 87.8 | -175.9 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | W330 M382 C451 D546 E547 R551 | W330-V549 WeakPolarHBondContact CZ2-O 3.34Å; W330-V549 PolarHBondContact NE1-O 3.04Å; M382-V549 HydrophobicContact CG-CB 3.71Å; M382-V549 HydrophobicContact CG-CG1 3.89Å; M382-V549 HydrophobicContact CG-CG2 3.94Å; M382-V549 HydrophobicContact SD-CB 4.47Å; M382-V549 HydrophobicContact SD-CG1 4Å; C451-V549 HydrophobicContact CB-CG1 3.55Å; D546-V549 HydrophobicContact CB-CG2 3.64Å; D546-V549 WeakPolarHBondContact O-CG2 3.46Å; E547-V549 VanDerWaalsContact C-N 3.27Å; E547-V549 PolarHBondContact O-N 3.04Å; V549-R551 PolarHBondContact O-N 2.69Å | ||
| 550 | V | 62.1 | Low | 81.1 | Confident | 119 Ų | 119 | 69.2 Ų | 69.2 | 72% | 0.721 | 36% | 0.361 | S | S | * | . | trans | -56.6 | -26.2 | -179.1 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | W330 D548 | W330-V550 PolarHBondContact NE1-O 2.78Å; D548-V550 WeakPolarHBondContact O-CG2 3.24Å; D548-V550 PolarHBondContact O-N 2.85Å | ||
| 551 | R | 68.3 | Low | 80.6 | Confident | 156 Ų | 156 | 74 Ų | 74 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -153.7 | 141.6 | -174.5 | -168.2 | -176.7 | 161.6 | -157.3 | -9.6 | 114.2 | P326 V549 | P326-R551 PolarHBondContact O-NE 3.19Å; V549-R551 PolarHBondContact O-N 2.69Å |
| 552 | I | 75.7 | Confident | 80.2 | Confident | 15 Ų | 15 | 76.2 Ų | 76.2 | 8% | 0.077 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -70.2 | 142.4 | 170.2 | -73.5 | 170.7 | 0 | 0 | 0 | 111.2 | P329 M382 H429 C451 Y453 | P329-I552 HydrophobicContact CB-CD1 3.74Å; P329-I552 HydrophobicContact CB-CG1 3.99Å; P329-I552 HydrophobicContact CG-CB 3.93Å; P329-I552 HydrophobicContact CG-CD1 3.81Å; P329-I552 HydrophobicContact CG-CG1 3.61Å; M382-I552 HydrophobicContact CE-CD1 4.21Å; M382-I552 HydrophobicContact CE-CG1 3.89Å; M382-I552 HydrophobicContact SD-CG1 4.36Å; H429-I552 VanDerWaalsContact CE1-CG2 3.47Å; H429-I552 WeakPolarHBondContact CE1-CG2 3.43Å; C451-I552 VanDerWaalsContact O-CA 3.3Å; C451-I552 WeakPolarHBondContact O-CA 3.39Å; Y453-I552 HydrophobicContact CD2-CD1 3.83Å; Y453-I552 HydrophobicContact CE2-CD1 3.73Å |
| 553 | G | 80.8 | Confident | 79.8 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 11% | 0.113 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.3 | -144.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C451 | C451-G553 PolarHBondContact N-O 2.99Å; C451-G553 PolarHBondContact O-N 2.7Å |
| 554 | T | 86.5 | Confident | 79.1 | Confident | 63 Ų | 63 | 82 Ų | 82 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.1 | 178.6 | 36.9 | 0 | 0 | 0 | 0 | 112.8 | H429 A431 I448 E449 F450 | H429-T554 HydrophobicContact CB-CG2 3.98Å; A431-T554 HydrophobicContact CB-CG2 3.75Å; I448-T554 HydrophobicContact CG2-CG2 4.32Å; E449-T554 CarbonylContact O-C 3.53Å; E449-T554 VanDerWaalsContact O-CA 3.3Å; E449-T554 WeakPolarHBondContact O-CA 3.27Å; F450-T554 HydrophobicContact CD1-CG2 3.42Å; F450-T554 VanDerWaalsContact CD1-CG2 3.42Å; F450-T554 HydrophobicContact CE1-CG2 3.37Å; F450-T554 HydrophobicContact CG-CG2 4.06Å; F450-T554 HydrophobicContact CZ-CG2 3.98Å |
| 555 | S | 85.4 | Confident | 78.9 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 28% | 0.28 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 161.2 | 170.9 | 158.4 | 0 | 0 | 0 | 0 | 109.4 | E449 | E449-S555 PolarHBondContact N-O 2.65Å; E449-S555 PolarHBondContact O-N 3.37Å; E449-S555 WeakPolarHBondContact OE2-CB 3.32Å; E449-S555 PolarHBondContact OE2-OG 3.42Å |
| 556 | K | 87.4 | Confident | 79 | Confident | 93 Ų | 93 | 79.5 Ų | 79.5 | 40% | 0.404 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 119.5 | -179.4 | -176.1 | 172.3 | -179.6 | 170.1 | 0 | 111.1 | R432 K434 E446 T447 | R432-K556 PolarHBondContact O-NZ 3.01Å; R432-K556 VanDerWaalsContact O-NZ 3.13Å; K434-K556 VanDerWaalsContact N-NZ 3.1Å; E446-K556 VanDerWaalsContact CD-NZ 3.29Å; E446-K556 WeakPolarHBondContact OE1-CE 3.4Å; E446-K556 IonicContact OE1-NZ 2.81Å; E446-K556 PolarHBondContact OE1-NZ 3.04Å; E446-K556 WeakPolarHBondContact OE2-CE 3.35Å; E446-K556 IonicContact OE2-NZ 3.09Å; E446-K556 PolarHBondContact OE2-NZ 2.84Å; T447-K556 WeakPolarHBondContact O-CA 3.04Å |
| 557 | L | 88.5 | Confident | 79.4 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 164.1 | -174.1 | -54.9 | 174.2 | 0 | 0 | 0 | 110.4 | T447 | T447-L557 PolarHBondContact N-O 2.88Å; T447-L557 PolarHBondContact O-N 3Å |
| 558 | V | 87.1 | Confident | 80.1 | Confident | 123 Ų | 123 | 70.1 Ų | 70.1 | 75% | 0.745 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.7 | 167.5 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | ||
| 559 | A | 88 | Confident | 81 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.033 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 140.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y390 N445 T447 P561 | Y390-A559 HydrophobicContact CD1-CB 4.43Å; Y390-A559 HydrophobicContact CE1-CB 4.11Å; N445-A559 PolarHBondContact O-N 2.86Å; T447-A559 WeakPolarHBondContact OG1-CB 3.21Å; A559-P561 WeakPolarHBondContact O-CD 3.42Å |
| 560 | S | 85.4 | Confident | 82.3 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 71% | 0.713 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 127.2 | 165.8 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 561 | P | 85.4 | Confident | 83.6 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 64% | 0.643 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 144.1 | 174.5 | -25.7 | 34.9 | 0 | 0 | 0 | 111.7 | A559 | A559-P561 WeakPolarHBondContact O-CD 3.42Š|
| 562 | V | 87.5 | Confident | 84.6 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 154.6 | 178.3 | -71.4 | 0 | 0 | 0 | 0 | 111 | Y390 L538 V566 | Y390-V562 HydrophobicContact CD1-CB 4.46Å; Y390-V562 HydrophobicContact CD1-CG1 3.93Å; Y390-V562 HydrophobicContact CD1-CG2 3.81Å; Y390-V562 HydrophobicContact CD2-CG2 4.24Å; Y390-V562 HydrophobicContact CE1-CG1 3.53Å; Y390-V562 HydrophobicContact CE1-CG2 4.28Å; Y390-V562 HydrophobicContact CE2-CG1 4.28Å; Y390-V562 HydrophobicContact CG-CG1 4.46Å; Y390-V562 HydrophobicContact CG-CG2 3.78Å; L538-V562 HydrophobicContact CD2-CG2 4.14Å; V562-V566 HydrophobicContact CB-CB 4.2Å; V562-V566 HydrophobicContact CB-CG1 3.88Å; V562-V566 HydrophobicContact CB-CG2 4.39Å; V562-V566 HydrophobicContact CG2-CG1 3.83Å |
| 563 | S | 82.8 | Confident | 85.4 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -60 | 142.7 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | T565 V566 | S563-T565 PolarHBondContact O-N 2.86Å; S563-T565 VanDerWaalsContact O-N 3.1Å; S563-T565 PolarHBondContact OG-N 2.95Å; S563-T565 PolarHBondContact OG-OG1 2.97Å; S563-V566 VanDerWaalsContact O-CB 3.23Å; S563-V566 WeakPolarHBondContact O-CB 3.27Å; S563-V566 VanDerWaalsContact O-CG1 3.27Å; S563-V566 WeakPolarHBondContact O-CG1 3.5Å; S563-V566 PolarHBondContact O-N 3.4Å |
| 564 | E | 74 | Confident | 86 | Confident | 177 Ų | 177 | 60.2 Ų | 60.2 | 83% | 0.827 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -53.1 | -30.6 | 169.9 | -61.9 | 177.5 | 176.7 | 0 | 0 | 112 | V566 | E564-V566 VanDerWaalsContact C-N 3.32Å; E564-V566 PolarHBondContact O-N 3.38Å |
| 565 | T | 80.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -83.6 | 4.8 | 178.2 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | S563 A567 G568 | S563-T565 PolarHBondContact O-N 2.86Å; S563-T565 VanDerWaalsContact O-N 3.1Å; S563-T565 PolarHBondContact OG-N 2.95Å; S563-T565 PolarHBondContact OG-OG1 2.97Å; T565-A567 VanDerWaalsContact C-N 3.3Å; T565-A567 PolarHBondContact O-N 2.73Å; T565-G568 WeakPolarHBondContact O-CA 3.37Å; T565-G568 PolarHBondContact O-N 3.15Å |
| 566 | V | 85.4 | Confident | 86.9 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -66 | -30.8 | -175.3 | 76.9 | 0 | 0 | 0 | 0 | 113.3 | P499 L538 V562 S563 E564 G568 S739 | P499-V566 HydrophobicContact CB-CG1 4.01Å; P499-V566 HydrophobicContact CB-CG2 3.93Å; P499-V566 HydrophobicContact CG-CG2 3.92Å; L538-V566 HydrophobicContact CD2-CG1 4.24Å; V562-V566 HydrophobicContact CB-CB 4.2Å; V562-V566 HydrophobicContact CB-CG1 3.88Å; V562-V566 HydrophobicContact CB-CG2 4.39Å; V562-V566 HydrophobicContact CG2-CG1 3.83Å; S563-V566 VanDerWaalsContact O-CB 3.23Å; S563-V566 WeakPolarHBondContact O-CB 3.27Å; S563-V566 VanDerWaalsContact O-CG1 3.27Å; S563-V566 WeakPolarHBondContact O-CG1 3.5Å; S563-V566 PolarHBondContact O-N 3.4Å; E564-V566 VanDerWaalsContact C-N 3.32Å; E564-V566 PolarHBondContact O-N 3.38Å; V566-G568 VanDerWaalsContact C-N 3.28Å; V566-S739 PolarHBondContact O-OG 2.61Å |
| 567 | A | 83.7 | Confident | 87.3 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -82.1 | -8.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | T565 E671 H673 A738 | T565-A567 VanDerWaalsContact C-N 3.3Å; T565-A567 PolarHBondContact O-N 2.73Å; A567-E671 HydrophobicContact CB-CG 3.98Å; A567-H673 PolarHBondContact O-CE1 2.88Å; A567-A738 WeakPolarHBondContact O-CB 3.47Å |
| 568 | G | 83.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | trans | 119.3 | -177.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T565 V566 | T565-G568 WeakPolarHBondContact O-CA 3.37Å; T565-G568 PolarHBondContact O-N 3.15Å; V566-G568 VanDerWaalsContact C-N 3.28Å | ||
| 569 | K | 84.6 | Confident | 87.9 | Confident | 138 Ų | 138 | 41.9 Ų | 41.9 | 60% | 0.6 | 24% | 0.237 | S | C | * | . | trans | -87.5 | 119.2 | 178.8 | -172.5 | 174.9 | 179.4 | 175.7 | 0 | 110.2 | S571 D672 T737 | K569-S571 PolarHBondContact O-N 3.28Å; K569-S571 PolarHBondContact O-OG 3.47Å; K569-D672 PolarHBondContact O-N 3.14Å; K569-T737 WeakPolarHBondContact CB-OG1 3.31Å; K569-T737 PolarHBondContact N-OG1 3.21Å | ||
| 570 | K | 85.7 | Confident | 88 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 27% | 0.265 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 124.7 | 168.8 | -69.6 | -172.8 | -178.9 | -175.6 | 0 | 109.3 | E393 Y669 Y670 E671 | E393-K570 IonicContact OE1-NZ 3.83Å; E393-K570 PolarHBondContact OE1-NZ 3.18Å; E393-K570 IonicContact OE2-NZ 2.68Å; E393-K570 PolarHBondContact OE2-NZ 3.28Å; K570-Y669 HydrophobicContact CB-CD1 3.93Å; K570-Y669 HydrophobicContact CB-CD2 4.42Å; K570-Y669 HydrophobicContact CB-CE1 3.46Å; K570-Y669 VanDerWaalsContact CB-CE1 3.46Å; K570-Y669 HydrophobicContact CB-CE2 3.98Å; K570-Y669 HydrophobicContact CB-CG 4.38Å; K570-Y669 VanDerWaalsContact CB-CZ 3.46Å; K570-Y669 HydrophobicContact CD-CD1 4.25Å; K570-Y669 HydrophobicContact CD-CE1 4.19Å; K570-Y669 HydrophobicContact CG-CE1 4.42Å; K570-Y669 WeakPolarHBondContact O-CE2 3.15Å; K570-Y669 VanDerWaalsContact O-CZ 3.29Å; K570-Y669 PolarHBondContact O-OH 2.77Å; K570-Y670 CarbonylContact C-O 3.31Å; K570-Y670 WeakPolarHBondContact CA-O 3.38Å; K570-E671 WeakPolarHBondContact CE-OE1 3.32Å; K570-E671 HydrophobicContact CG-CG 3.87Å |
| 571 | S | 89.2 | Confident | 88.2 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.5 | -169.8 | -65.3 | 0 | 0 | 0 | 0 | 108.9 | K569 Y573 Y669 Y670 | K569-S571 PolarHBondContact O-N 3.28Å; K569-S571 PolarHBondContact O-OG 3.47Å; S571-Y573 WeakPolarHBondContact O-CD2 3.44Å; S571-Y573 PolarHBondContact O-N 3.25Å; S571-Y669 WeakPolarHBondContact O-CD2 3.42Å; S571-Y670 PolarHBondContact N-O 3.11Å; S571-Y670 PolarHBondContact O-N 3.42Å; S571-Y670 VanDerWaalsContact O-O 3.13Å |
| 572 | L | 88.7 | Confident | 88.5 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 119 | -178.5 | -164.5 | 68.3 | 0 | 0 | 0 | 109.9 | V633 T667 Y669 I872 | L572-V633 HydrophobicContact CD2-CB 4.24Å; L572-V633 HydrophobicContact CD2-CG1 4.05Å; L572-T667 HydrophobicContact CD1-CG2 4.5Å; L572-T667 HydrophobicContact CD2-CG2 4.35Å; L572-T667 HydrophobicContact CG-CG2 4.32Å; L572-Y669 HydrophobicContact CB-CD2 4.4Å; L572-Y669 HydrophobicContact CD1-CD2 4.27Å; L572-I872 HydrophobicContact CB-CB 4.26Å; L572-I872 HydrophobicContact CB-CG2 3.91Å; L572-I872 HydrophobicContact CD2-CB 4.3Å; L572-I872 HydrophobicContact CD2-CG1 4.18Å; L572-I872 HydrophobicContact CD2-CG2 4.32Å; L572-I872 HydrophobicContact CG-CB 4.37Å; L572-I872 HydrophobicContact CG-CG2 4.46Å; L572-I872 WeakPolarHBondContact O-CB 3.3Å; L572-I872 PolarHBondContact O-N 3.16Å |
| 573 | Y | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 148.7 | 172.7 | -73.5 | -89.9 | 0 | 0 | 0 | 110.1 | S571 T667 G668 D672 L799 Y824 G870 L871 | S571-Y573 WeakPolarHBondContact O-CD2 3.44Å; S571-Y573 PolarHBondContact O-N 3.25Å; Y573-T667 CarbonylContact O-C 3.53Å; Y573-T667 WeakPolarHBondContact O-CA 3.03Å; Y573-G668 PolarHBondContact N-O 3.44Å; Y573-G668 PolarHBondContact O-N 3.02Å; Y573-D672 WeakPolarHBondContact OH-CA 3.12Å; Y573-D672 PolarHBondContact OH-OD1 3.34Å; Y573-L799 HydrophobicContact CD1-CD1 3.89Å; Y573-L799 HydrophobicContact CD2-CD2 4.16Å; Y573-L799 HydrophobicContact CE1-CD1 3.67Å; Y573-L799 HydrophobicContact CE1-CD2 4.48Å; Y573-L799 HydrophobicContact CE2-CD1 4.38Å; Y573-L799 HydrophobicContact CE2-CD2 3.73Å; Y573-L799 HydrophobicContact CG-CD1 4.34Å; Y573-Y824 AromaticContact CE1-CE2 3.99Å; Y573-Y824 HydrophobicContact CE1-CE2 3.99Å; Y573-G870 CarbonylContact C-O 3.55Å; Y573-G870 VanDerWaalsContact CA-O 3.29Å; Y573-G870 WeakPolarHBondContact CA-O 3.19Å; Y573-G870 WeakPolarHBondContact CD1-O 3.29Å; Y573-L871 HydrophobicContact CD1-CD2 4.01Å; Y573-L871 HydrophobicContact CD1-CG 4.3Å; Y573-L871 HydrophobicContact CD2-CD2 4.27Å; Y573-L871 HydrophobicContact CE1-CD2 3.54Å; Y573-L871 HydrophobicContact CE1-CG 3.79Å; Y573-L871 HydrophobicContact CE2-CD2 3.85Å; Y573-L871 HydrophobicContact CG-CD2 4.34Å; Y573-L871 VanDerWaalsContact CZ-CD2 3.45Å |
| 574 | F | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.6 | 175.9 | 177.6 | -118 | 0 | 0 | 0 | 109.1 | F576 W635 Y665 T667 W868 L869 G870 I872 F875 Y878 P896 | F574-F576 HydrophobicContact CE1-CB 3.83Å; F574-F576 HydrophobicContact CZ-CB 3.95Å; F574-F576 HydrophobicContact CZ-CD2 4.29Å; F574-W635 HydrophobicContact CD2-CE3 4.23Å; F574-W635 HydrophobicContact CE2-CE3 4.01Å; F574-W635 HydrophobicContact CE2-CZ3 4.43Å; F574-Y665 HydrophobicContact CE2-CD2 4.46Å; F574-Y665 HydrophobicContact CE2-CG 4.43Å; F574-T667 HydrophobicContact CD2-CG2 4.14Å; F574-W868 HydrophobicContact CB-CZ3 4.3Å; F574-W868 HydrophobicContact CD1-CE3 4.06Å; F574-W868 AromaticContact CD1-CZ3 3.73Å; F574-W868 HydrophobicContact CD1-CZ3 3.73Å; F574-W868 HydrophobicContact CG-CZ3 4.48Å; F574-W868 WeakPolarHBondContact O-CZ3 3.47Å; F574-L869 WeakPolarHBondContact O-CA 3.45Å; F574-G870 PolarHBondContact N-O 2.93Å; F574-G870 PolarHBondContact O-N 3.01Å; F574-I872 HydrophobicContact CB-CD1 3.94Å; F574-I872 HydrophobicContact CG-CD1 4.38Å; F574-F875 HydrophobicContact CD1-CB 4.02Å; F574-Y878 HydrophobicContact CE1-CD2 4.17Å; F574-Y878 HydrophobicContact CE1-CG 4.18Å; F574-P896 HydrophobicContact CE1-CG 4.45Å; F574-P896 HydrophobicContact CE2-CG 3.7Å; F574-P896 HydrophobicContact CZ-CB 4.09Å; F574-P896 HydrophobicContact CZ-CG 3.41Å; F574-P896 VanDerWaalsContact CZ-CG 3.41Å |
| 575 | L | 95.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.2 | 172.1 | 177.9 | 63.3 | 0 | 0 | 0 | 108.2 | I600 F602 Y665 L666 V802 I823 W868 L869 | L575-I600 HydrophobicContact CD2-CD1 3.89Å; L575-I600 HydrophobicContact CD2-CG1 4.04Å; L575-I600 HydrophobicContact CG-CD1 4.34Å; L575-F602 HydrophobicContact CD2-CB 4.09Å; L575-Y665 CarbonylContact O-C 3.53Å; L575-Y665 WeakPolarHBondContact O-CA 3.48Å; L575-Y665 WeakPolarHBondContact O-CB 3.29Å; L575-L666 HydrophobicContact CB-CD1 3.76Å; L575-L666 HydrophobicContact CB-CG 4.09Å; L575-L666 HydrophobicContact CD2-CD1 3.92Å; L575-L666 HydrophobicContact CD2-CD2 4.23Å; L575-L666 HydrophobicContact CD2-CG 4.02Å; L575-L666 HydrophobicContact CG-CD1 4.44Å; L575-L666 HydrophobicContact CG-CG 4.49Å; L575-L666 PolarHBondContact N-O 2.77Å; L575-L666 PolarHBondContact O-N 3.33Å; L575-V802 HydrophobicContact CD1-CG2 4.31Å; L575-V802 HydrophobicContact CD2-CG1 3.98Å; L575-V802 HydrophobicContact CD2-CG2 3.82Å; L575-I823 HydrophobicContact CD1-CD1 3.9Å; L575-W868 WeakPolarHBondContact CA-O 3.37Å; L575-L869 HydrophobicContact CB-CD1 4.06Å; L575-L869 HydrophobicContact CD1-CB 4.03Å; L575-L869 HydrophobicContact CD1-CD1 4.29Å |
| 576 | F | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.3 | 171.2 | 179.2 | -92.3 | 0 | 0 | 0 | 110.4 | F574 C578 C663 Y866 W868 Y878 L882 | F574-F576 HydrophobicContact CE1-CB 3.83Å; F574-F576 HydrophobicContact CZ-CB 3.95Å; F574-F576 HydrophobicContact CZ-CD2 4.29Å; F576-C578 HydrophobicContact CE1-CB 3.82Å; F576-C578 HydrophobicContact CZ-CB 4.03Å; F576-C663 HydrophobicContact CE2-CB 3.77Å; F576-C663 HydrophobicContact CZ-CB 3.82Å; F576-Y866 HydrophobicContact CD1-CD1 4.08Å; F576-Y866 HydrophobicContact CD1-CE1 4.35Å; F576-Y866 HydrophobicContact CE1-CD1 4.07Å; F576-W868 PolarHBondContact N-O 2.85Å; F576-W868 PolarHBondContact O-N 2.96Å; F576-Y878 HydrophobicContact CB-CD2 3.92Å; F576-Y878 AromaticContact CD1-CD2 3.67Å; F576-Y878 HydrophobicContact CD1-CD2 3.67Å; F576-Y878 HydrophobicContact CD1-CE2 4.2Å; F576-Y878 AromaticContact CD2-CD2 3.67Å; F576-Y878 HydrophobicContact CD2-CD2 3.67Å; F576-Y878 AromaticContact CD2-CE2 3.51Å; F576-Y878 HydrophobicContact CD2-CE2 3.51Å; F576-Y878 HydrophobicContact CE1-CD2 4.05Å; F576-Y878 HydrophobicContact CE1-CE2 4.24Å; F576-Y878 HydrophobicContact CE2-CD2 4.06Å; F576-Y878 AromaticContact CE2-CE2 3.58Å; F576-Y878 HydrophobicContact CE2-CE2 3.58Å; F576-Y878 AromaticContact CG-CD2 3.46Å; F576-Y878 HydrophobicContact CG-CD2 3.46Å; F576-Y878 VanDerWaalsContact CG-CD2 3.46Å; F576-Y878 AromaticContact CG-CE2 3.84Å; F576-Y878 HydrophobicContact CG-CE2 3.84Å; F576-Y878 HydrophobicContact CZ-CD2 4.23Å; F576-Y878 AromaticContact CZ-CE2 3.95Å; F576-Y878 HydrophobicContact CZ-CE2 3.95Å; F576-L882 HydrophobicContact CE1-CD2 4.33Å |
| 577 | A | 95.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 142.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I600 C663 L664 I865 Y866 L867 | A577-I600 HydrophobicContact CB-CD1 3.74Å; A577-C663 CarbonylContact O-C 3.53Å; A577-C663 WeakPolarHBondContact O-CA 3.48Å; A577-L664 PolarHBondContact N-O 2.86Å; A577-L664 PolarHBondContact O-N 3.13Å; A577-L664 VanDerWaalsContact O-O 3.1Å; A577-I865 HydrophobicContact CB-CD1 3.91Å; A577-I865 HydrophobicContact CB-CG1 4.26Å; A577-Y866 CarbonylContact C-O 3.55Å; A577-Y866 WeakPolarHBondContact CA-O 3.37Å; A577-L867 HydrophobicContact CB-CD2 3.75Å |
| 578 | C | 95.5 | Very high | 89.5 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 122.9 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | F576 I865 Y866 L882 L900 | F576-C578 HydrophobicContact CE1-CB 3.82Å; F576-C578 HydrophobicContact CZ-CB 4.03Å; C578-I865 CarbonylContact O-C 3.57Å; C578-I865 WeakPolarHBondContact O-CA 3.47Å; C578-I865 WeakPolarHBondContact O-CG1 3.42Å; C578-Y866 PolarHBondContact N-O 2.64Å; C578-Y866 PolarHBondContact O-N 2.76Å; C578-L882 HydrophobicContact CB-CD2 4.45Å; C578-L900 HydrophobicContact CB-CD1 4.44Å |
| 579 | F | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.8 | -179.9 | -68 | -111.6 | 0 | 0 | 0 | 110 | Y598 T640 F657 K661 P662 L664 I804 I863 I865 | F579-Y598 HydrophobicContact CD1-CD2 4.18Å; F579-Y598 HydrophobicContact CE1-CD1 4.34Å; F579-Y598 AromaticContact CE1-CD2 3.7Å; F579-Y598 HydrophobicContact CE1-CD2 3.7Å; F579-Y598 HydrophobicContact CE1-CE2 4.42Å; F579-Y598 AromaticContact CE1-CG 3.66Å; F579-Y598 HydrophobicContact CE1-CG 3.66Å; F579-Y598 HydrophobicContact CZ-CD2 4.33Å; F579-Y598 HydrophobicContact CZ-CG 4.02Å; F579-T640 HydrophobicContact CD2-CG2 4.26Å; F579-T640 HydrophobicContact CE2-CG2 4.13Å; F579-T640 HydrophobicContact CZ-CG2 4.45Å; F579-F657 HydrophobicContact CB-CE2 3.91Å; F579-F657 HydrophobicContact CB-CZ 4.33Å; F579-K661 WeakPolarHBondContact O-CB 3.26Å; F579-P662 HydrophobicContact CB-CG 4.13Å; F579-P662 PolarHBondContact N-O 2.53Å; F579-L664 HydrophobicContact CD2-CG 4.46Å; F579-L664 HydrophobicContact CE2-CD1 3.61Å; F579-L664 HydrophobicContact CE2-CG 3.93Å; F579-L664 HydrophobicContact CZ-CD1 4.26Å; F579-I804 HydrophobicContact CZ-CG2 4.2Å; F579-I863 HydrophobicContact CD1-CB 4.29Å; F579-I863 HydrophobicContact CD1-CD1 4.37Å; F579-I863 HydrophobicContact CD1-CG2 4.34Å; F579-I863 HydrophobicContact CE1-CB 4.32Å; F579-I863 HydrophobicContact CE1-CD1 3.7Å; F579-I863 HydrophobicContact CE1-CG2 4.19Å; F579-I863 HydrophobicContact CZ-CD1 4.38Å; F579-I865 HydrophobicContact CD1-CD1 4.16Å; F579-I865 HydrophobicContact CD2-CD1 3.82Å; F579-I865 HydrophobicContact CD2-CG1 4.22Å; F579-I865 HydrophobicContact CE1-CD1 3.89Å; F579-I865 HydrophobicContact CE2-CD1 3.5Å; F579-I865 VanDerWaalsContact CE2-CD1 3.5Å; F579-I865 HydrophobicContact CE2-CG1 4.38Å; F579-I865 HydrophobicContact CG-CD1 4.13Å; F579-I865 HydrophobicContact CG-CG1 4.29Å; F579-I865 HydrophobicContact CZ-CD1 3.54Å |
| 580 | S | 90.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 21.5 Ų | 21.5 | 13% | 0.126 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -51 | 167.9 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | K661 R864 | S580-K661 WeakPolarHBondContact O-CD 3.49Å; S580-K661 VanDerWaalsContact O-CE 3.24Å; S580-K661 WeakPolarHBondContact O-CE 3.15Å; S580-K661 PolarHBondContact O-NZ 3.21Å; S580-R864 WeakPolarHBondContact CB-O 3.46Å; S580-R864 PolarHBondContact N-O 2.96Å |
| 581 | E | 88.9 | Confident | 89.8 | Confident | 36 Ų | 36 | 23.7 Ų | 23.7 | 17% | 0.168 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149.8 | -169.2 | -67.4 | 141.6 | -103.3 | 0 | 0 | 110.6 | I863 R864 | E581-I863 WeakPolarHBondContact O-CA 3.45Å; E581-R864 HydrophobicContact CB-CB 4.09Å; E581-R864 PolarHBondContact N-O 3.4Å; E581-R864 PolarHBondContact O-N 2.86Å; E581-R864 IonicContact OE1-NH1 3.48Å; E581-R864 PolarHBondContact OE1-NH1 2.77Å |
| 582 | A | 91.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 109.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y598 Y654 L655 F657 Q862 I863 | A582-Y598 HydrophobicContact CB-CE2 3.7Å; A582-Y654 CarbonylContact O-C 3.34Å; A582-Y654 WeakPolarHBondContact O-CA 3.36Å; A582-Y654 WeakPolarHBondContact O-CB 3.43Å; A582-L655 HydrophobicContact CB-CB 4.31Å; A582-L655 HydrophobicContact CB-CG 4.34Å; A582-L655 PolarHBondContact O-N 2.75Å; A582-F657 HydrophobicContact CB-CE2 3.73Å; A582-F657 HydrophobicContact CB-CZ 3.85Å; A582-Q862 CarbonylContact C-O 3.52Å; A582-Q862 WeakPolarHBondContact CA-O 3.33Å; A582-I863 HydrophobicContact CB-CG2 4.01Å |
| 583 | S | 88.6 | Confident | 89.7 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | -169.9 | -171.4 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | I585 Y653 S861 Q862 G938 | S583-I585 PolarHBondContact O-N 2.81Å; S583-I585 VanDerWaalsContact O-N 3.07Å; S583-Y653 CarbonylContact C-O 3.54Å; S583-S861 PolarHBondContact O-OG 3.19Å; S583-Q862 PolarHBondContact N-O 3.19Å; S583-Q862 PolarHBondContact O-N 2.8Å; S583-Q862 VanDerWaalsContact O-O 3.09Å; S583-G938 WeakPolarHBondContact CB-O 3.46Å; S583-G938 PolarHBondContact OG-O 2.83Å |
| 584 | V | 83 | Confident | 89.7 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | trans | 49.2 | 39.9 | -179.2 | -163.1 | 0 | 0 | 0 | 0 | 111.4 | Y652 Y653 Q862 L936 | V584-Y652 HydrophobicContact CB-CD1 4.36Å; V584-Y652 HydrophobicContact CB-CE1 4.5Å; V584-Y652 HydrophobicContact CG1-CD1 3.78Å; V584-Y652 HydrophobicContact CG1-CE1 3.47Å; V584-Y652 VanDerWaalsContact CG1-CE1 3.47Å; V584-Y653 PolarHBondContact N-O 3.2Å; V584-Q862 HydrophobicContact CB-CB 3.97Å; V584-Q862 HydrophobicContact CG2-CB 4.06Å; V584-L936 HydrophobicContact CG1-CD1 4.12Å; V584-L936 HydrophobicContact CG2-CD1 4.03Å | ||
| 585 | I | 88.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -76 | 129.5 | 177.7 | -63.4 | 171.3 | 0 | 0 | 0 | 108.2 | S583 K587 L589 I596 Y653 L655 M806 Q860 S861 | S583-I585 PolarHBondContact O-N 2.81Å; S583-I585 VanDerWaalsContact O-N 3.07Å; I585-K587 PolarHBondContact O-N 2.73Å; I585-L589 HydrophobicContact CG2-CB 4Å; I585-L589 HydrophobicContact CG2-CD1 4.49Å; I585-I596 HydrophobicContact CD1-CD1 4.25Å; I585-I596 HydrophobicContact CG2-CD1 4.18Å; I585-Y653 VanDerWaalsContact CB-O 3.28Å; I585-Y653 WeakPolarHBondContact CB-O 3.25Å; I585-Y653 WeakPolarHBondContact CG1-O 3.49Å; I585-Y653 PolarHBondContact N-O 3.03Å; I585-Y653 PolarHBondContact O-N 3Å; I585-L655 HydrophobicContact CD1-CD2 3.82Å; I585-L655 HydrophobicContact CD1-CG 3.96Å; I585-M806 HydrophobicContact CD1-CE 4.34Å; I585-M806 HydrophobicContact CG1-CE 4.13Å; I585-M806 HydrophobicContact CG2-CE 3.88Å; I585-Q860 VanDerWaalsContact CA-O 3.31Å; I585-Q860 WeakPolarHBondContact CA-O 3.23Å; I585-S861 WeakPolarHBondContact CG1-OG 3.49Å |
| 586 | E | 84.3 | Confident | 89.8 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | trans | -56.3 | 132.3 | -176 | -172.8 | -178.6 | -170.4 | 0 | 0 | 111 | K588 L589 G590 R858 Q860 | E586-K588 HydrophobicContact CG-CB 4.19Å; E586-K588 PolarHBondContact O-N 2.81Å; E586-L589 HydrophobicContact CB-CG 4.49Å; E586-L589 WeakPolarHBondContact O-CA 3.09Å; E586-L589 WeakPolarHBondContact O-CB 3.34Å; E586-L589 PolarHBondContact O-N 3.49Å; E586-G590 PolarHBondContact O-N 3.35Å; E586-R858 IonicContact OE1-CZ 2.81Å; E586-R858 IonicContact OE1-NH1 2.71Å; E586-R858 PolarHBondContact OE1-NH1 3.27Å; E586-Q860 PolarHBondContact N-O 3.48Å; E586-Q860 PolarHBondContact OE2-NE2 2.93Å | ||
| 587 | K | 84.3 | Confident | 89.8 | Confident | 93 Ų | 93 | 38.9 Ų | 38.9 | 40% | 0.404 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -42.3 | -38.5 | 174.4 | -166.7 | 169.4 | -174.9 | 168.3 | 0 | 113.6 | I585 L589 G590 I591 K650 E651 Y653 | I585-K587 PolarHBondContact O-N 2.73Å; K587-L589 VanDerWaalsContact C-N 3.34Å; K587-L589 PolarHBondContact O-N 2.95Å; K587-G590 PolarHBondContact O-N 3.44Å; K587-I591 HydrophobicContact CD-CD1 4.44Å; K587-I591 HydrophobicContact CG-CD1 3.65Å; K587-I591 HydrophobicContact CG-CG1 4.21Å; K587-I591 WeakPolarHBondContact O-CB 3.42Å; K587-I591 VanDerWaalsContact O-CG1 3.29Å; K587-I591 WeakPolarHBondContact O-CG1 3.17Å; K587-I591 PolarHBondContact O-N 3.41Å; K587-K650 WeakPolarHBondContact CE-O 3.45Å; K587-E651 WeakPolarHBondContact CB-O 3.47Å; K587-Y653 HydrophobicContact CG-CE2 4.43Å |
| 588 | K | 84.7 | Confident | 89.8 | Confident | 137 Ų | 137 | 38.9 Ų | 38.9 | 60% | 0.596 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -71.7 | -17.9 | 178.5 | -66.1 | -175.1 | 175.3 | 179.6 | 0 | 115.2 | E586 K592 | E586-K588 HydrophobicContact CG-CB 4.19Å; E586-K588 PolarHBondContact O-N 2.81Å; K588-K592 WeakPolarHBondContact O-CE 3.48Å |
| 589 | L | 87.7 | Confident | 89.8 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -90.2 | -45.9 | 167.6 | -61.9 | -178.7 | 0 | 0 | 0 | 110.3 | I585 E586 K587 K592 M806 L808 V813 Q860 | I585-L589 HydrophobicContact CG2-CB 4Å; I585-L589 HydrophobicContact CG2-CD1 4.49Å; E586-L589 HydrophobicContact CB-CG 4.49Å; E586-L589 WeakPolarHBondContact O-CA 3.09Å; E586-L589 WeakPolarHBondContact O-CB 3.34Å; E586-L589 PolarHBondContact O-N 3.49Å; K587-L589 VanDerWaalsContact C-N 3.34Å; K587-L589 PolarHBondContact O-N 2.95Å; L589-K592 WeakPolarHBondContact O-CB 3.36Å; L589-K592 PolarHBondContact O-N 2.94Å; L589-M806 HydrophobicContact CD1-CE 3.75Å; L589-M806 HydrophobicContact CD1-SD 3.91Å; L589-L808 HydrophobicContact CD2-CD2 4.02Å; L589-V813 HydrophobicContact CD1-CG2 4.17Å; L589-V813 HydrophobicContact CD2-CB 4.41Å; L589-V813 HydrophobicContact CD2-CG2 4.45Å; L589-Q860 HydrophobicContact CD1-CB 4.18Å |
| 590 | G | 85.5 | Confident | 89.8 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -49.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E586 K587 K592 N593 Y653 | E586-G590 PolarHBondContact O-N 3.35Å; K587-G590 PolarHBondContact O-N 3.44Å; G590-K592 PolarHBondContact O-N 3.21Å; G590-N593 PolarHBondContact O-N 3.32Å; G590-Y653 VanDerWaalsContact C-CE1 3.5Å |
| 591 | I | 87.3 | Confident | 89.9 | Confident | 107 Ų | 107 | 37.9 Ų | 37.9 | 55% | 0.549 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23.6 | -179.9 | -74.5 | 176.2 | 0 | 0 | 0 | 113 | K587 N593 Y653 | K587-I591 HydrophobicContact CD-CD1 4.44Å; K587-I591 HydrophobicContact CG-CD1 3.65Å; K587-I591 HydrophobicContact CG-CG1 4.21Å; K587-I591 WeakPolarHBondContact O-CB 3.42Å; K587-I591 VanDerWaalsContact O-CG1 3.29Å; K587-I591 WeakPolarHBondContact O-CG1 3.17Å; K587-I591 PolarHBondContact O-N 3.41Å; I591-N593 PolarHBondContact O-N 2.8Å; I591-N593 VanDerWaalsContact O-N 3.16Å; I591-Y653 HydrophobicContact CG1-CE2 4.43Å; I591-Y653 WeakPolarHBondContact CG1-OH 3.36Å |
| 592 | K | 89.2 | Confident | 90 | Very high | 102 Ų | 102 | 36.2 Ų | 36.2 | 44% | 0.443 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.3 | 176.1 | -62.9 | 178.1 | 175.7 | -177.4 | 0 | 112.8 | K588 L589 G590 K594 L808 | K588-K592 WeakPolarHBondContact O-CE 3.48Å; L589-K592 WeakPolarHBondContact O-CB 3.36Å; L589-K592 PolarHBondContact O-N 2.94Å; G590-K592 PolarHBondContact O-N 3.21Å; K592-K594 VanDerWaalsContact C-N 3.29Å; K592-K594 WeakPolarHBondContact O-CG 3.1Å; K592-K594 PolarHBondContact O-N 2.89Å; K592-L808 HydrophobicContact CD-CD2 3.97Å |
| 593 | N | 88.3 | Confident | 89.8 | Confident | 111 Ų | 111 | 36 Ų | 36 | 59% | 0.594 | 18% | 0.178 | S | C | * | . | trans | 50.4 | 46.5 | -179.2 | -163.6 | 17.3 | 0 | 0 | 0 | 112.9 | G590 I591 I644 | G590-N593 PolarHBondContact O-N 3.32Å; I591-N593 PolarHBondContact O-N 2.8Å; I591-N593 VanDerWaalsContact O-N 3.16Å; N593-I644 WeakPolarHBondContact OD1-CG2 3.3Å | ||
| 594 | K | 92.9 | Very high | 89.5 | Confident | 78 Ų | 78 | 37.1 Ų | 37.1 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | trans | -124.2 | 147.4 | -177.7 | -75.5 | 179.6 | -163.9 | -174.4 | 0 | 110.2 | K592 P645 L808 E809 | K592-K594 VanDerWaalsContact C-N 3.29Å; K592-K594 WeakPolarHBondContact O-CG 3.1Å; K592-K594 PolarHBondContact O-N 2.89Å; K594-P645 VanDerWaalsContact O-CD 3.26Å; K594-P645 WeakPolarHBondContact O-CD 3.31Å; K594-L808 HydrophobicContact CB-CD1 3.7Å; K594-E809 HydrophobicContact CD-CG 3.75Å; K594-E809 WeakPolarHBondContact CD-OE1 3.26Å; K594-E809 VanDerWaalsContact CD-OE2 3.23Å; K594-E809 WeakPolarHBondContact CD-OE2 3.34Å; K594-E809 IonicContact NZ-OE1 3.16Å; K594-E809 PolarHBondContact NZ-OE1 3.21Å; K594-E809 IonicContact NZ-OE2 3.41Å; K594-E809 PolarHBondContact NZ-OE2 2.86Å | ||
| 595 | P | 94.2 | Very high | 89.7 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 44% | 0.442 | 19% | 0.193 | S | C | . | . | trans | -70 | 134.9 | -173 | 28.5 | -35.6 | 0 | 0 | 0 | 112.3 | P642 L643 I644 L808 | P595-P642 HydrophobicContact CB-CB 3.83Å; P595-L643 CarbonylContact C-O 3.5Å; P595-L643 WeakPolarHBondContact CA-O 3.39Å; P595-I644 HydrophobicContact CB-CG1 4.45Å; P595-L808 WeakPolarHBondContact O-CD1 3.25Å | ||
| 596 | I | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.6 | 179 | -64.8 | 161.1 | 0 | 0 | 0 | 108.8 | I585 P642 L643 P645 L655 M806 I807 L808 | I585-I596 HydrophobicContact CD1-CD1 4.25Å; I585-I596 HydrophobicContact CG2-CD1 4.18Å; I596-P642 CarbonylContact O-C 3.51Å; I596-P642 WeakPolarHBondContact O-CA 3.44Å; I596-L643 PolarHBondContact N-O 3.02Å; I596-L643 PolarHBondContact O-N 3.14Å; I596-P645 HydrophobicContact CD1-CB 4.03Å; I596-P645 HydrophobicContact CD1-CG 3.86Å; I596-L655 HydrophobicContact CB-CD1 4.31Å; I596-L655 HydrophobicContact CB-CD2 4.24Å; I596-L655 HydrophobicContact CD1-CD2 4.42Å; I596-L655 HydrophobicContact CG2-CD1 4.16Å; I596-M806 HydrophobicContact CD1-CE 3.88Å; I596-M806 HydrophobicContact CG1-CE 4.43Å; I596-M806 HydrophobicContact CG2-CE 3.78Å; I596-M806 HydrophobicContact CG2-CG 3.91Å; I596-I807 WeakPolarHBondContact CA-O 3.18Å; I596-L808 HydrophobicContact CG1-CD1 3.94Å |
| 597 | S | 95.1 | Very high | 89.4 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 167.8 | 167.2 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | T640 I807 | S597-T640 WeakPolarHBondContact CA-OG1 3.35Å; S597-T640 WeakPolarHBondContact CB-O 3.46Å; S597-T640 WeakPolarHBondContact CB-OG1 3.45Å; S597-I807 PolarHBondContact N-O 2.72Å; S597-I807 VanDerWaalsContact N-O 3.1Å; S597-I807 PolarHBondContact O-N 3.33Å |
| 598 | Y | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.8 | 170.6 | -60 | -79.6 | 0 | 0 | 0 | 110.9 | F579 A582 T639 T640 L655 S805 M806 L844 S861 I863 | F579-Y598 HydrophobicContact CD1-CD2 4.18Å; F579-Y598 HydrophobicContact CE1-CD1 4.34Å; F579-Y598 AromaticContact CE1-CD2 3.7Å; F579-Y598 HydrophobicContact CE1-CD2 3.7Å; F579-Y598 HydrophobicContact CE1-CE2 4.42Å; F579-Y598 AromaticContact CE1-CG 3.66Å; F579-Y598 HydrophobicContact CE1-CG 3.66Å; F579-Y598 HydrophobicContact CZ-CD2 4.33Å; F579-Y598 HydrophobicContact CZ-CG 4.02Å; A582-Y598 HydrophobicContact CB-CE2 3.7Å; Y598-T639 CarbonylContact O-C 3.46Å; Y598-T639 VanDerWaalsContact O-CA 3.26Å; Y598-T639 WeakPolarHBondContact O-CA 3.29Å; Y598-T640 HydrophobicContact CD2-CG2 4.38Å; Y598-T640 PolarHBondContact N-OG1 2.85Å; Y598-T640 PolarHBondContact O-N 3.19Å; Y598-L655 HydrophobicContact CE2-CD1 3.74Å; Y598-S805 CarbonylContact C-O 3.55Å; Y598-S805 WeakPolarHBondContact CA-O 3.07Å; Y598-M806 HydrophobicContact CD1-CB 4.11Å; Y598-M806 HydrophobicContact CD1-CG 4.38Å; Y598-M806 HydrophobicContact CE1-CB 3.82Å; Y598-M806 HydrophobicContact CE1-CG 3.74Å; Y598-L844 HydrophobicContact CD1-CD2 4.06Å; Y598-L844 HydrophobicContact CE1-CD2 3.94Å; Y598-S861 PolarHBondContact OH-OG 2.81Å; Y598-S861 VanDerWaalsContact OH-OG 3.05Å; Y598-I863 HydrophobicContact CE1-CG2 3.93Å; Y598-I863 HydrophobicContact CE2-CG2 4.24Å |
| 599 | E | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.4 | 172.1 | 173 | -174.7 | 69.4 | 0 | 0 | 109.2 | Q608 L609 S638 T639 I804 S805 I807 R812 | E599-Q608 PolarHBondContact OE2-N 2.76Å; E599-L609 PolarHBondContact OE2-N 2.84Å; E599-S638 CarbonylContact C-O 3.44Å; E599-S638 VanDerWaalsContact CA-O 3.32Å; E599-S638 WeakPolarHBondContact CA-O 3.38Å; E599-T639 HydrophobicContact CB-CG2 4.05Å; E599-T639 HydrophobicContact CG-CG2 4.24Å; E599-I804 CarbonylContact O-C 3.48Å; E599-I804 WeakPolarHBondContact O-CA 3.32Å; E599-S805 PolarHBondContact N-O 3.47Å; E599-S805 PolarHBondContact O-N 2.93Å; E599-I807 HydrophobicContact CB-CD1 3.45Å; E599-I807 VanDerWaalsContact CB-CD1 3.45Å; E599-I807 HydrophobicContact CB-CG1 4.27Å; E599-I807 HydrophobicContact CG-CD1 4.38Å; E599-R812 IonicContact OE1-CZ 3.68Å; E599-R812 VanDerWaalsContact OE1-CZ 3.22Å; E599-R812 IonicContact OE1-NE 3.86Å; E599-R812 PolarHBondContact OE1-NE 3.04Å; E599-R812 IonicContact OE1-NH2 3.79Å; E599-R812 PolarHBondContact OE1-NH2 2.87Å; E599-R812 IonicContact OE2-NH2 3.84Å |
| 600 | I | 94.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.7 | 170.9 | -168.1 | 167.1 | 0 | 0 | 0 | 110 | L575 A577 S638 L664 L666 V802 F803 I804 L867 | L575-I600 HydrophobicContact CD2-CD1 3.89Å; L575-I600 HydrophobicContact CD2-CG1 4.04Å; L575-I600 HydrophobicContact CG-CD1 4.34Å; A577-I600 HydrophobicContact CB-CD1 3.74Å; I600-S638 PolarHBondContact N-O 3.2Å; I600-S638 WeakPolarHBondContact O-CB 3.43Å; I600-L664 HydrophobicContact CB-CD1 4.21Å; I600-L664 HydrophobicContact CG2-CB 3.74Å; I600-L664 HydrophobicContact CG2-CD1 3.73Å; I600-L664 HydrophobicContact CG2-CG 4.41Å; I600-L666 HydrophobicContact CG2-CD2 4.41Å; I600-V802 HydrophobicContact CD1-CG1 3.96Å; I600-V802 HydrophobicContact CG1-CG1 3.8Å; I600-F803 CarbonylContact C-O 3.49Å; I600-F803 WeakPolarHBondContact CA-O 3.33Å; I600-I804 HydrophobicContact CB-CG1 4.42Å; I600-I804 HydrophobicContact CD1-CD1 4.4Å; I600-I804 HydrophobicContact CD1-CG1 4.11Å; I600-I804 HydrophobicContact CG1-CG1 3.97Å; I600-L867 HydrophobicContact CD1-CD2 4.44Å |
| 601 | S | 92.1 | Very high | 86.4 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.6 | 179.5 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | Y605 N607 V802 F803 | S601-Y605 CarbonylContact C-O 3.3Å; S601-Y605 WeakPolarHBondContact CA-O 3.39Å; S601-Y605 VanDerWaalsContact CB-O 3.3Å; S601-Y605 WeakPolarHBondContact CB-O 3.32Å; S601-N607 WeakPolarHBondContact CB-ND2 3.42Å; S601-N607 WeakPolarHBondContact CB-OD1 3.35Å; S601-N607 PolarHBondContact OG-OD1 3.46Å; S601-V802 CarbonylContact O-C 3.46Å; S601-V802 VanDerWaalsContact O-CA 3.25Å; S601-V802 WeakPolarHBondContact O-CA 3.29Å; S601-F803 PolarHBondContact N-O 3.41Å; S601-F803 PolarHBondContact O-N 3.38Å |
| 602 | F | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 89.8 | -172.1 | 175.2 | -142.2 | 0 | 0 | 0 | 109.4 | L575 L604 Y605 L666 Y670 L799 P800 V802 L869 | L575-F602 HydrophobicContact CD2-CB 4.09Å; F602-L604 PolarHBondContact O-N 3.04Å; F602-Y605 PolarHBondContact N-O 3.11Å; F602-Y605 WeakPolarHBondContact O-CD2 3.17Å; F602-Y605 PolarHBondContact O-N 2.98Å; F602-L666 HydrophobicContact CB-CD1 3.66Å; F602-L666 HydrophobicContact CB-CD2 4.45Å; F602-L666 HydrophobicContact CD1-CD1 3.85Å; F602-L666 HydrophobicContact CG-CD1 4.24Å; F602-Y670 HydrophobicContact CD1-CD2 4.38Å; F602-Y670 AromaticContact CD1-CE2 3.83Å; F602-Y670 HydrophobicContact CD1-CE2 3.83Å; F602-Y670 HydrophobicContact CD2-CE2 4.28Å; F602-Y670 AromaticContact CE1-CD2 3.61Å; F602-Y670 HydrophobicContact CE1-CD2 3.61Å; F602-Y670 AromaticContact CE1-CE2 3.51Å; F602-Y670 HydrophobicContact CE1-CE2 3.51Å; F602-Y670 HydrophobicContact CE2-CD2 4.25Å; F602-Y670 AromaticContact CE2-CE2 3.99Å; F602-Y670 HydrophobicContact CE2-CE2 3.99Å; F602-Y670 HydrophobicContact CG-CE2 4.2Å; F602-Y670 AromaticContact CZ-CD2 3.52Å; F602-Y670 HydrophobicContact CZ-CD2 3.52Å; F602-Y670 AromaticContact CZ-CE2 3.59Å; F602-Y670 HydrophobicContact CZ-CE2 3.59Å; F602-Y670 PolarHBondContact O-OH 2.89Å; F602-L799 HydrophobicContact CE2-CB 4.04Å; F602-L799 HydrophobicContact CZ-CB 4.21Å; F602-L799 HydrophobicContact CZ-CD1 4.12Å; F602-L799 HydrophobicContact CZ-CD2 4.47Å; F602-P800 WeakPolarHBondContact CD2-O 3.35Å; F602-P800 VanDerWaalsContact CE2-O 3.25Å; F602-P800 WeakPolarHBondContact CE2-O 3.39Å; F602-V802 HydrophobicContact CB-CG2 4.18Å; F602-V802 HydrophobicContact CD2-CG2 3.79Å; F602-V802 HydrophobicContact CG-CG2 4.26Å; F602-L869 HydrophobicContact CE1-CD1 4.13Å; F602-L869 HydrophobicContact CE2-CD2 4.23Å; F602-L869 HydrophobicContact CZ-CD1 4.09Å; F602-L869 HydrophobicContact CZ-CD2 4.4Å |
| 603 | G | 87 | Confident | 83.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -116 | -160.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N607 Y670 | G603-N607 PolarHBondContact O-ND2 3.47Å; G603-Y670 WeakPolarHBondContact CA-OH 3.36Å |
| 604 | L | 83.7 | Confident | 81.4 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -35.3 | 172.7 | -81.1 | -169.9 | 0 | 0 | 0 | 114.4 | D394 R509 Y533 F602 G606 N607 V616 Y670 | D394-L604 HydrophobicContact CB-CD1 3.75Å; D394-L604 HydrophobicContact CB-CD2 4.4Å; D394-L604 HydrophobicContact CB-CG 3.81Å; D394-L604 WeakPolarHBondContact OD1-CD1 3.34Å; R509-L604 VanDerWaalsContact CZ-CD2 3.49Å; Y533-L604 HydrophobicContact CE1-CG 4.2Å; F602-L604 PolarHBondContact O-N 3.04Å; L604-G606 PolarHBondContact O-N 3.49Å; L604-N607 VanDerWaalsContact C-ND2 3.34Å; L604-N607 PolarHBondContact O-N 2.8Å; L604-N607 PolarHBondContact O-ND2 2.66Å; L604-V616 HydrophobicContact CD2-CG2 4.11Å; L604-Y670 PolarHBondContact N-OH 3.25Å |
| 605 | Y | 86.9 | Confident | 79.3 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 26% | 0.259 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -62.6 | 135.8 | -170.7 | -58.9 | -85.5 | 0 | 0 | 0 | 111 | S601 F602 T667 Y669 Y670 | S601-Y605 CarbonylContact C-O 3.3Å; S601-Y605 WeakPolarHBondContact CA-O 3.39Å; S601-Y605 VanDerWaalsContact CB-O 3.3Å; S601-Y605 WeakPolarHBondContact CB-O 3.32Å; F602-Y605 PolarHBondContact N-O 3.11Å; F602-Y605 WeakPolarHBondContact O-CD2 3.17Å; F602-Y605 PolarHBondContact O-N 2.98Å; Y605-T667 WeakPolarHBondContact CD1-O 3.46Å; Y605-Y669 WeakPolarHBondContact OH-CB 3.4Å; Y605-Y669 PolarHBondContact OH-N 3.48Å; Y605-Y670 AromaticContact CD2-CE2 3.79Å; Y605-Y670 HydrophobicContact CD2-CE2 3.79Å; Y605-Y670 AromaticContact CD2-CZ 3.74Å; Y605-Y670 WeakPolarHBondContact CD2-OH 3.44Å; Y605-Y670 HydrophobicContact CE2-CD2 4.49Å; Y605-Y670 HydrophobicContact CE2-CE1 4.13Å; Y605-Y670 AromaticContact CE2-CE2 3.75Å; Y605-Y670 HydrophobicContact CE2-CE2 3.75Å; Y605-Y670 AromaticContact CE2-CZ 3.55Å |
| 606 | G | 85.1 | Confident | 77.2 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -13.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | L604 Q608 S638 | L604-G606 PolarHBondContact O-N 3.49Å; G606-Q608 PolarHBondContact O-N 2.73Å; G606-S638 VanDerWaalsContact CA-CB 3.47Å; G606-S638 WeakPolarHBondContact CA-OG 3.49Å; G606-S638 WeakPolarHBondContact O-CB 3.36Å; G606-S638 PolarHBondContact O-OG 2.93Å |
| 607 | N | 81.2 | Confident | 75 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | trans | -71.8 | 90.3 | 178.4 | -67.2 | -73.7 | 0 | 0 | 0 | 112.2 | S601 G603 L604 D610 R812 | S601-N607 WeakPolarHBondContact CB-ND2 3.42Å; S601-N607 WeakPolarHBondContact CB-OD1 3.35Å; S601-N607 PolarHBondContact OG-OD1 3.46Å; G603-N607 PolarHBondContact O-ND2 3.47Å; L604-N607 VanDerWaalsContact C-ND2 3.34Å; L604-N607 PolarHBondContact O-N 2.8Å; L604-N607 PolarHBondContact O-ND2 2.66Å; N607-D610 HydrophobicContact CB-CB 4.39Å; N607-R812 PolarHBondContact OD1-NH2 2.89Å; N607-R812 VanDerWaalsContact OD1-NH2 3.09Å | ||
| 608 | Q | 76.8 | Confident | 72.8 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -35.8 | 178.7 | -67.3 | -176 | 40.7 | 0 | 0 | 112.2 | E599 G606 D610 S638 T639 | E599-Q608 PolarHBondContact OE2-N 2.76Å; G606-Q608 PolarHBondContact O-N 2.73Å; Q608-D610 PolarHBondContact O-N 3.47Å; Q608-S638 PolarHBondContact NE2-OG 2.97Å; Q608-T639 HydrophobicContact CB-CG2 4.42Å; Q608-T639 HydrophobicContact CG-CG2 4.27Å; Q608-T639 VanDerWaalsContact NE2-CG2 3.28Å; Q608-T639 PolarHBondContact NE2-OG1 3.01Å |
| 609 | L | 75 | Confident | 70.4 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -36.7 | -179.2 | -75.4 | -173.9 | 0 | 0 | 0 | 113.6 | E599 I807 R810 R812 | E599-L609 PolarHBondContact OE2-N 2.84Å; L609-I807 HydrophobicContact CD1-CB 4.47Å; L609-I807 HydrophobicContact CD1-CD1 3.44Å; L609-I807 VanDerWaalsContact CD1-CD1 3.44Å; L609-I807 HydrophobicContact CD1-CG1 3.65Å; L609-I807 HydrophobicContact CD1-CG2 4.06Å; L609-I807 HydrophobicContact CD2-CD1 4.26Å; L609-I807 HydrophobicContact CD2-CG2 4.41Å; L609-I807 HydrophobicContact CG-CD1 3.69Å; L609-I807 HydrophobicContact CG-CG1 4.43Å; L609-R810 HydrophobicContact CD2-CB 3.96Å; L609-R812 HydrophobicContact CD1-CG 3.64Å |
| 610 | D | 68.7 | Low | 68 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -48.3 | 179.9 | -66.9 | -53.2 | 0 | 0 | 0 | 110.9 | N607 Q608 R613 G614 R812 | N607-D610 HydrophobicContact CB-CB 4.39Å; Q608-D610 PolarHBondContact O-N 3.47Å; D610-R613 CarbonylContact O-C 3.55Å; D610-R613 WeakPolarHBondContact O-CA 3.23Å; D610-R613 WeakPolarHBondContact O-CB 3.21Å; D610-R613 PolarHBondContact O-N 3.16Å; D610-G614 PolarHBondContact O-N 3.14Å; D610-R812 IonicContact OD1-CZ 3.54Å; D610-R812 IonicContact OD1-NH1 2.8Å; D610-R812 PolarHBondContact OD1-NH1 3.05Å; D610-R812 IonicContact OD2-CZ 2.72Å; D610-R812 VanDerWaalsContact OD2-CZ 3.25Å; D610-R812 IonicContact OD2-NH1 3.4Å; D610-R812 PolarHBondContact OD2-NH1 3.37Å; D610-R812 IonicContact OD2-NH2 2.76Å; D610-R812 PolarHBondContact OD2-NH2 3.48Å |
| 611 | G | 59.2 | Low | 65.8 | Low | 23 Ų | 23 | 65 Ų | 65 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | 44.9 | -141.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R613 G614 V616 | G611-R613 PolarHBondContact O-N 3.41Å; G611-R613 VanDerWaalsContact O-N 3.12Å; G611-G614 PolarHBondContact O-N 2.83Å; G611-G614 VanDerWaalsContact O-N 3.16Å; G611-V616 WeakPolarHBondContact O-CB 3.31Å; G611-V616 PolarHBondContact O-N 2.79Å |
| 612 | K | 52.9 | Low | 63.4 | Low | 194 Ų | 194 | 73.3 Ų | 73.3 | 84% | 0.843 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -59.2 | -21.7 | 174.9 | -71.1 | -161.7 | 174.9 | -162 | 0 | 113.8 | ||
| 613 | R | 53.5 | Low | 61.1 | Low | 186 Ų | 186 | 77.7 Ų | 77.7 | 70% | 0.702 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -79 | -24.3 | 179.3 | -63.5 | -173.1 | -178.7 | -134.9 | 2.8 | 113 | P397 E401 D610 G611 | P397-R613 WeakPolarHBondContact CG-O 3.45Å; E401-R613 IonicContact OE1-NH1 3.37Å; D610-R613 CarbonylContact O-C 3.55Å; D610-R613 WeakPolarHBondContact O-CA 3.23Å; D610-R613 WeakPolarHBondContact O-CB 3.21Å; D610-R613 PolarHBondContact O-N 3.16Å; G611-R613 PolarHBondContact O-N 3.41Å; G611-R613 VanDerWaalsContact O-N 3.12Å |
| 614 | G | 53.3 | Low | 58.6 | Low | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -96.1 | 17.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P397 R509 D610 G611 V616 | P397-G614 WeakPolarHBondContact CD-O 3.13Å; R509-G614 PolarHBondContact NE-O 2.81Å; R509-G614 VanDerWaalsContact NE-O 3.1Å; R509-G614 PolarHBondContact NH2-O 2.9Å; D610-G614 PolarHBondContact O-N 3.14Å; G611-G614 PolarHBondContact O-N 2.83Å; G611-G614 VanDerWaalsContact O-N 3.16Å; G614-V616 VanDerWaalsContact C-N 3.34Å |
| 615 | G | 48.5 | Very low | 56.3 | Low | 15 Ų | 15 | 89.6 Ų | 89.6 | 16% | 0.155 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 10.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E617 | G615-E617 PolarHBondContact O-N 2.86Š|
| 616 | V | 51 | Low | 54.1 | Low | 29 Ų | 29 | 91.7 Ų | 91.7 | 18% | 0.176 | 47% | 0.474 | C | S | . | . | trans | -84 | 97.7 | -179.1 | -166.4 | 0 | 0 | 0 | 0 | 110 | L604 G611 G614 | L604-V616 HydrophobicContact CD2-CG2 4.11Å; G611-V616 WeakPolarHBondContact O-CB 3.31Å; G611-V616 PolarHBondContact O-N 2.79Å; G614-V616 VanDerWaalsContact C-N 3.34Å | ||
| 617 | E | 49.3 | Very low | 52 | Low | 167 Ų | 167 | 98.5 Ų | 98.5 | 78% | 0.78 | 51% | 0.508 | S | S | * | . | trans | -85.3 | 133.1 | 158.9 | -166.2 | 152.3 | -118.3 | 0 | 0 | 108.6 | G615 Q619 | G615-E617 PolarHBondContact O-N 2.86Å; E617-Q619 VanDerWaalsContact C-N 3.32Å; E617-Q619 PolarHBondContact O-N 3.41Å | ||
| 618 | L | 47.4 | Very low | 50.1 | Low | 156 Ų | 156 | 103.8 Ų | 103.8 | 82% | 0.817 | 54% | 0.537 | S | S | * | . | trans | -74.4 | 85.6 | -176.3 | -84.5 | 164.4 | 0 | 0 | 0 | 110 | T620 | L618-T620 PolarHBondContact O-N 2.86Å; L618-T620 PolarHBondContact O-OG1 3.22Å | ||
| 619 | Q | 46.1 | Very low | 48.6 | Very low | 173 Ų | 173 | 105.2 Ų | 105.2 | 81% | 0.808 | 55% | 0.553 | S | S | * | * | trans | -62.3 | 104.2 | 175.8 | -166.9 | 170 | 66.4 | 0 | 0 | 109 | E617 I621 | E617-Q619 VanDerWaalsContact C-N 3.32Å; E617-Q619 PolarHBondContact O-N 3.41Å; Q619-I621 PolarHBondContact O-N 2.67Å; Q619-I621 VanDerWaalsContact O-N 3.13Å | ||
| 620 | T | 45.3 | Very low | 47.1 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 56% | 0.558 | 59% | 0.585 | S | S | * | * | trans | -71 | 108.2 | -172.3 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | L618 E622 | L618-T620 PolarHBondContact O-N 2.86Å; L618-T620 PolarHBondContact O-OG1 3.22Å; T620-E622 PolarHBondContact O-N 3.04Å | ||
| 621 | I | 47.7 | Very low | 46.2 | Very low | 45 Ų | 45 | 120.3 Ų | 120.3 | 23% | 0.231 | 61% | 0.611 | C | S | . | * | trans | -69 | 102 | -177.2 | -55.7 | -179.6 | 0 | 0 | 0 | 109 | Q619 L623 R632 | Q619-I621 PolarHBondContact O-N 2.67Å; Q619-I621 VanDerWaalsContact O-N 3.13Å; I621-L623 VanDerWaalsContact C-N 3.35Å; I621-L623 HydrophobicContact CG2-CD2 4.43Å; I621-L623 HydrophobicContact CG2-CG 4.27Å; I621-L623 PolarHBondContact O-N 3.19Å; I621-L623 VanDerWaalsContact O-N 3.07Å; I621-R632 PolarHBondContact O-NH2 3.39Å | ||
| 622 | E | 41.6 | Very low | 46 | Very low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | trans | -79.2 | 82.4 | 174.7 | -65.4 | -164.7 | 158.8 | 0 | 0 | 110.1 | T620 A624 | T620-E622 PolarHBondContact O-N 3.04Å; E622-A624 PolarHBondContact O-N 2.98Å | ||
| 623 | L | 42.3 | Very low | 46.5 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 48% | 0.482 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 119.9 | 165.8 | -70.1 | 170.6 | 0 | 0 | 0 | 108.6 | I621 Q625 R632 | I621-L623 VanDerWaalsContact C-N 3.35Å; I621-L623 HydrophobicContact CG2-CD2 4.43Å; I621-L623 HydrophobicContact CG2-CG 4.27Å; I621-L623 PolarHBondContact O-N 3.19Å; I621-L623 VanDerWaalsContact O-N 3.07Å; L623-Q625 PolarHBondContact O-N 3.28Å; L623-R632 HydrophobicContact CD1-CG 4.38Å |
| 624 | A | 35.7 | Very low | 47.1 | Very low | 95 Ų | 95 | 113 Ų | 113 | 79% | 0.785 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 130 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E622 P626 | E622-A624 PolarHBondContact O-N 2.98Å; A624-P626 VanDerWaalsContact O-CD 3.22Å; A624-P626 WeakPolarHBondContact O-CD 3.23Å |
| 625 | Q | 35.2 | Very low | 48.4 | Very low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 117.5 | 174.5 | -59.1 | -177.4 | 32.6 | 0 | 0 | 110.9 | L623 | L623-Q625 PolarHBondContact O-N 3.28Š|
| 626 | P | 40.2 | Very low | 50.1 | Low | 111 Ų | 111 | 116.9 Ų | 116.9 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -129.6 | 55.5 | 155.3 | 39.9 | -29 | 0 | 0 | 0 | 110.8 | A624 | A624-P626 VanDerWaalsContact O-CD 3.22Å; A624-P626 WeakPolarHBondContact O-CD 3.23Å |
| 627 | N | 41.7 | Very low | 52 | Low | 151 Ų | 151 | 118.2 Ų | 118.2 | 81% | 0.807 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 69.7 | 37.6 | 164.3 | -51.8 | -16.2 | 0 | 0 | 0 | 119.1 | ||
| 628 | N | 40.6 | Very low | 54 | Low | 131 Ų | 131 | 110.3 Ų | 110.3 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -157.3 | 123.2 | 163 | -119.3 | -48.2 | 0 | 0 | 0 | 117.6 | R630 | N628-R630 VanDerWaalsContact C-N 3.27Å; N628-R630 PolarHBondContact O-N 3.11Å |
| 629 | T | 45.3 | Very low | 56.2 | Low | 137 Ų | 137 | 104.2 Ų | 104.2 | 84% | 0.84 | 54% | 0.537 | S | S | * | . | trans | 41.8 | -5 | 141.3 | 50.4 | 0 | 0 | 0 | 0 | 123.7 | E631 | T629-E631 PolarHBondContact O-N 2.73Š| ||
| 630 | R | 42.6 | Very low | 58.5 | Low | 243 Ų | 243 | 96.2 Ų | 96.2 | 92% | 0.917 | 50% | 0.5 | S | S | * | . | trans | -72.3 | 112 | 171.2 | -80.5 | -175 | 168.7 | 170 | -2.6 | 110.3 | N628 | N628-R630 VanDerWaalsContact C-N 3.27Å; N628-R630 PolarHBondContact O-N 3.11Å | ||
| 631 | E | 51.6 | Low | 60.7 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | trans | -53.9 | 137.3 | 173.1 | -170.4 | 173.4 | -140.9 | 0 | 0 | 110.5 | T629 V633 P894 | T629-E631 PolarHBondContact O-N 2.73Å; E631-V633 PolarHBondContact O-N 3.29Å; E631-V633 VanDerWaalsContact O-N 3.09Å; E631-P894 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 632 | R | 53.3 | Low | 62.9 | Low | 120 Ų | 120 | 97.3 Ų | 97.3 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | trans | -72.1 | 107 | -175.2 | -169.7 | -172.3 | -170.7 | 179 | 6.6 | 109.6 | I621 L623 D634 | I621-R632 PolarHBondContact O-NH2 3.39Å; L623-R632 HydrophobicContact CD1-CG 4.38Å; R632-D634 HydrophobicContact CG-CB 4.2Å; R632-D634 PolarHBondContact O-N 3.25Å | ||
| 633 | V | 63.5 | Low | 65.3 | Low | 37 Ų | 37 | 91.4 Ų | 91.4 | 22% | 0.224 | 49% | 0.485 | C | S | . | . | trans | -76.3 | 70.1 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | L572 E631 W635 T667 I872 | L572-V633 HydrophobicContact CD2-CB 4.24Å; L572-V633 HydrophobicContact CD2-CG1 4.05Å; E631-V633 PolarHBondContact O-N 3.29Å; E631-V633 VanDerWaalsContact O-N 3.09Å; V633-W635 HydrophobicContact CG1-CD2 3.71Å; V633-W635 HydrophobicContact CG1-CE3 3.81Å; V633-W635 HydrophobicContact CG1-CG 4.18Å; V633-W635 HydrophobicContact CG1-CH2 4.3Å; V633-W635 HydrophobicContact CG1-CZ2 4.21Å; V633-W635 HydrophobicContact CG1-CZ3 4.1Å; V633-T667 HydrophobicContact CG1-CG2 4.11Å; V633-I872 HydrophobicContact CG1-CD1 4.02Å; V633-I872 HydrophobicContact CG1-CG1 4.43Å | ||
| 634 | D | 67.7 | Low | 67.8 | Low | 92 Ų | 92 | 91.7 Ų | 91.7 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | trans | -110.1 | 74.3 | 170.7 | -168 | -0.5 | 0 | 0 | 0 | 107.3 | R632 | R632-D634 HydrophobicContact CG-CB 4.2Å; R632-D634 PolarHBondContact O-N 3.25Å | ||
| 635 | W | 79.4 | Confident | 70.4 | Confident | 22 Ų | 22 | 87.6 Ų | 87.6 | 8% | 0.083 | 45% | 0.451 | C | S | . | . | trans | -104.3 | 110.3 | -170.7 | -67.5 | -11.6 | 0 | 0 | 0 | 109.8 | F574 V633 Y665 L666 T667 I872 F875 P894 P896 | F574-W635 HydrophobicContact CD2-CE3 4.23Å; F574-W635 HydrophobicContact CE2-CE3 4.01Å; F574-W635 HydrophobicContact CE2-CZ3 4.43Å; V633-W635 HydrophobicContact CG1-CD2 3.71Å; V633-W635 HydrophobicContact CG1-CE3 3.81Å; V633-W635 HydrophobicContact CG1-CG 4.18Å; V633-W635 HydrophobicContact CG1-CH2 4.3Å; V633-W635 HydrophobicContact CG1-CZ2 4.21Å; V633-W635 HydrophobicContact CG1-CZ3 4.1Å; W635-Y665 HydrophobicContact CB-CD2 4.06Å; W635-Y665 HydrophobicContact CB-CE2 4.05Å; W635-L666 CarbonylContact O-C 3.55Å; W635-L666 VanDerWaalsContact O-CA 3.27Å; W635-L666 WeakPolarHBondContact O-CA 3.15Å; W635-T667 HydrophobicContact CB-CG2 4.32Å; W635-T667 PolarHBondContact O-N 3.44Å; W635-T667 PolarHBondContact O-OG1 2.9Å; W635-I872 HydrophobicContact CZ3-CD1 4.2Å; W635-F875 HydrophobicContact CH2-CE2 4.34Å; W635-F875 HydrophobicContact CZ3-CD2 4.37Å; W635-P894 WeakPolarHBondContact CH2-O 3.33Å; W635-P896 HydrophobicContact CE3-CG 3.87Å; W635-P896 HydrophobicContact CZ3-CG 3.9Å | ||
| 636 | C | 84.4 | Confident | 73 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 109.8 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 637 | Y | 90.4 | Very high | 75.3 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 74.7 | 170 | -172.7 | -107.1 | 0 | 0 | 0 | 107.5 | C663 L664 Y665 N898 | Y637-C663 WeakPolarHBondContact CD1-O 3.44Å; Y637-C663 WeakPolarHBondContact CE1-O 3.45Å; Y637-L664 HydrophobicContact CD1-CD2 4.16Å; Y637-L664 HydrophobicContact CE1-CD2 4.13Å; Y637-L664 VanDerWaalsContact O-CA 3.28Å; Y637-L664 WeakPolarHBondContact O-CA 3.32Å; Y637-L664 WeakPolarHBondContact O-CB 3.3Å; Y637-Y665 CarbonylContact C-O 3.55Å; Y637-Y665 HydrophobicContact CD1-CE1 4.07Å; Y637-Y665 HydrophobicContact CG-CE1 4.22Å; Y637-Y665 PolarHBondContact N-O 3.25Å; Y637-Y665 PolarHBondContact O-N 3Å; Y637-N898 HydrophobicContact CD1-CB 4.09Å; Y637-N898 HydrophobicContact CE1-CB 3.61Å; Y637-N898 VanDerWaalsContact CE2-ND2 3.33Å; Y637-N898 WeakPolarHBondContact CE2-ND2 3.21Å |
| 638 | S | 91.5 | Very high | 77.2 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -94.8 | 5.1 | -164.9 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | E599 I600 G606 Q608 | E599-S638 CarbonylContact C-O 3.44Å; E599-S638 VanDerWaalsContact CA-O 3.32Å; E599-S638 WeakPolarHBondContact CA-O 3.38Å; I600-S638 PolarHBondContact N-O 3.2Å; I600-S638 WeakPolarHBondContact O-CB 3.43Å; G606-S638 VanDerWaalsContact CA-CB 3.47Å; G606-S638 WeakPolarHBondContact CA-OG 3.49Å; G606-S638 WeakPolarHBondContact O-CB 3.36Å; G606-S638 PolarHBondContact O-OG 2.93Å; Q608-S638 PolarHBondContact NE2-OG 2.97Å | ||
| 639 | T | 93.4 | Very high | 78.9 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 17% | 0.172 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | 134.4 | -173.4 | 48.2 | 0 | 0 | 0 | 0 | 112 | Y598 E599 Q608 L664 | Y598-T639 CarbonylContact O-C 3.46Å; Y598-T639 VanDerWaalsContact O-CA 3.26Å; Y598-T639 WeakPolarHBondContact O-CA 3.29Å; E599-T639 HydrophobicContact CB-CG2 4.05Å; E599-T639 HydrophobicContact CG-CG2 4.24Å; Q608-T639 HydrophobicContact CB-CG2 4.42Å; Q608-T639 HydrophobicContact CG-CG2 4.27Å; Q608-T639 VanDerWaalsContact NE2-CG2 3.28Å; Q608-T639 PolarHBondContact NE2-OG1 3.01Å; T639-L664 WeakPolarHBondContact O-CD2 3.35Å |
| 640 | T | 94.9 | Very high | 80.5 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 158.9 | 171.5 | 71.6 | 0 | 0 | 0 | 0 | 110.7 | F579 S597 Y598 P662 L664 | F579-T640 HydrophobicContact CD2-CG2 4.26Å; F579-T640 HydrophobicContact CE2-CG2 4.13Å; F579-T640 HydrophobicContact CZ-CG2 4.45Å; S597-T640 WeakPolarHBondContact CA-OG1 3.35Å; S597-T640 WeakPolarHBondContact CB-O 3.46Å; S597-T640 WeakPolarHBondContact CB-OG1 3.45Å; Y598-T640 HydrophobicContact CD2-CG2 4.38Å; Y598-T640 PolarHBondContact N-OG1 2.85Å; Y598-T640 PolarHBondContact O-N 3.19Å; T640-P662 HydrophobicContact CG2-CB 4.29Å; T640-P662 HydrophobicContact CG2-CG 4.23Å; T640-L664 HydrophobicContact CG2-CD1 4.05Å; T640-L664 HydrophobicContact CG2-CD2 4.03Å; T640-L664 HydrophobicContact CG2-CG 4.28Å |
| 641 | T | 92.2 | Very high | 82.1 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 138 | 160.6 | 40.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 642 | P | 92.5 | Very high | 83.4 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 53% | 0.532 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 128.1 | 173.4 | -18.8 | 32.6 | 0 | 0 | 0 | 111.2 | P595 I596 | P595-P642 HydrophobicContact CB-CB 3.83Å; I596-P642 CarbonylContact O-C 3.51Å; I596-P642 WeakPolarHBondContact O-CA 3.44Å |
| 643 | L | 93.8 | Very high | 85.1 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 145.1 | 178.1 | -66.9 | 177.6 | 0 | 0 | 0 | 110.9 | P595 I596 L655 F657 | P595-L643 CarbonylContact C-O 3.5Å; P595-L643 WeakPolarHBondContact CA-O 3.39Å; I596-L643 PolarHBondContact N-O 3.02Å; I596-L643 PolarHBondContact O-N 3.14Å; L643-L655 HydrophobicContact CB-CD1 4.45Å; L643-L655 HydrophobicContact CB-CD2 4.46Å; L643-L655 HydrophobicContact CD1-CB 4.43Å; L643-F657 HydrophobicContact CD1-CD1 3.6Å; L643-F657 HydrophobicContact CD1-CE1 3.82Å |
| 644 | I | 93.4 | Very high | 86.3 | Confident | 98 Ų | 98 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 132 | 173.2 | -62.4 | 176.9 | 0 | 0 | 0 | 108.4 | N593 P595 | N593-I644 WeakPolarHBondContact OD1-CG2 3.3Å; P595-I644 HydrophobicContact CB-CG1 4.45Å |
| 645 | P | 91.8 | Very high | 87.5 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 129.2 | 178.1 | 27 | -33.8 | 0 | 0 | 0 | 112.3 | K594 I596 Y653 Y654 L655 | K594-P645 VanDerWaalsContact O-CD 3.26Å; K594-P645 WeakPolarHBondContact O-CD 3.31Å; I596-P645 HydrophobicContact CD1-CB 4.03Å; I596-P645 HydrophobicContact CD1-CG 3.86Å; P645-Y653 HydrophobicContact CB-CD1 4.02Å; P645-Y653 HydrophobicContact CB-CG 4.49Å; P645-Y653 HydrophobicContact CG-CD1 4.47Å; P645-Y654 WeakPolarHBondContact CA-O 3.44Å; P645-L655 HydrophobicContact CB-CD2 4.06Å |
| 646 | T | 89.8 | Confident | 87.9 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -100 | 160 | 175.1 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | Y653 Y654 | T646-Y653 CarbonylContact O-C 3.58Å; T646-Y653 WeakPolarHBondContact O-CA 3.49Å; T646-Y654 PolarHBondContact N-O 3.26Å; T646-Y654 WeakPolarHBondContact O-CD1 3.37Å; T646-Y654 PolarHBondContact O-N 3.42Å; T646-Y654 VanDerWaalsContact OG1-CE2 3.23Å; T646-Y654 WeakPolarHBondContact OG1-CE2 3.36Å; T646-Y654 PolarHBondContact OG1-O 2.96Å |
| 647 | T | 87.6 | Confident | 88.1 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 23% | 0.233 | 27% | 0.267 | C | S | . | . | trans | -154.5 | 143.3 | 179.7 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | D649 K650 Y652 Y653 | T647-D649 PolarHBondContact OG1-N 3.23Å; T647-D649 PolarHBondContact OG1-OD1 3.36Å; T647-K650 WeakPolarHBondContact OG1-CA 3.34Å; T647-K650 PolarHBondContact OG1-N 3.37Å; T647-Y652 WeakPolarHBondContact CB-O 3.33Å; T647-Y652 PolarHBondContact OG1-O 2.91Å; T647-Y653 HydrophobicContact CG2-CD1 3.76Å; T647-Y653 HydrophobicContact CG2-CE1 3.38Å; T647-Y653 HydrophobicContact CG2-CE2 4.23Å; T647-Y653 HydrophobicContact CG2-CG 4.35Å | ||
| 648 | D | 81.2 | Confident | 87.9 | Confident | 110 Ų | 110 | 49.6 Ų | 49.6 | 59% | 0.588 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -100.8 | -23.8 | 177.7 | -62.6 | -1.2 | 0 | 0 | 0 | 111.4 | Y654 | D648-Y654 PolarHBondContact OD1-OH 2.8Š|
| 649 | D | 75.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -114.3 | -13 | -171.4 | 64.4 | 0.2 | 0 | 0 | 0 | 113.9 | T647 E651 Y652 V941 | T647-D649 PolarHBondContact OG1-N 3.23Å; T647-D649 PolarHBondContact OG1-OD1 3.36Å; D649-E651 PolarHBondContact O-N 3.32Å; D649-E651 PolarHBondContact OD1-N 3.48Å; D649-Y652 PolarHBondContact OD1-N 3.28Å; D649-Y652 PolarHBondContact OD2-N 2.94Å; D649-V941 VanDerWaalsContact OD2-CG2 3.27Å; D649-V941 WeakPolarHBondContact OD2-CG2 3.32Å |
| 650 | K | 79.7 | Confident | 87.7 | Confident | 158 Ų | 158 | 56.1 Ų | 56.1 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 63.6 | 10.6 | -169.5 | -51.3 | 173.5 | -175.2 | 170.6 | 0 | 114.7 | K587 T647 | K587-K650 WeakPolarHBondContact CE-O 3.45Å; T647-K650 WeakPolarHBondContact OG1-CA 3.34Å; T647-K650 PolarHBondContact OG1-N 3.37Å |
| 651 | E | 75.9 | Confident | 87.7 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -105.3 | -52.2 | 174.5 | -65.7 | -164.8 | 91.4 | 0 | 0 | 111.7 | K587 D649 R934 | K587-E651 WeakPolarHBondContact CB-O 3.47Å; D649-E651 PolarHBondContact O-N 3.32Å; D649-E651 PolarHBondContact OD1-N 3.48Å; E651-R934 VanDerWaalsContact CD-NH2 3.26Å; E651-R934 IonicContact OE1-CZ 3.35Å; E651-R934 VanDerWaalsContact OE1-CZ 3.28Å; E651-R934 IonicContact OE1-NH1 2.7Å; E651-R934 PolarHBondContact OE1-NH1 3.23Å; E651-R934 IonicContact OE1-NH2 3.22Å; E651-R934 PolarHBondContact OE1-NH2 3.25Å; E651-R934 IonicContact OE2-CZ 3.93Å; E651-R934 IonicContact OE2-NE 2.66Å; E651-R934 IonicContact OE2-NH1 3.44Å; E651-R934 PolarHBondContact OE2-NH1 3.05Å; E651-R934 VanDerWaalsContact OE2-NH1 3.14Å; E651-R934 IonicContact OE2-NH2 2.81Å; E651-R934 PolarHBondContact OE2-NH2 3.41Å |
| 652 | Y | 79.2 | Confident | 87.9 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -111 | 138.9 | 176.8 | -80.3 | -59.1 | 0 | 0 | 0 | 112.3 | V584 T647 D649 L936 E982 | V584-Y652 HydrophobicContact CB-CD1 4.36Å; V584-Y652 HydrophobicContact CB-CE1 4.5Å; V584-Y652 HydrophobicContact CG1-CD1 3.78Å; V584-Y652 HydrophobicContact CG1-CE1 3.47Å; V584-Y652 VanDerWaalsContact CG1-CE1 3.47Å; T647-Y652 WeakPolarHBondContact CB-O 3.33Å; T647-Y652 PolarHBondContact OG1-O 2.91Å; D649-Y652 PolarHBondContact OD1-N 3.28Å; D649-Y652 PolarHBondContact OD2-N 2.94Å; Y652-L936 HydrophobicContact CD2-CD1 4.31Å; Y652-L936 HydrophobicContact CD2-CD2 3.86Å; Y652-L936 HydrophobicContact CE2-CD1 3.93Å; Y652-L936 HydrophobicContact CE2-CD2 3.98Å; Y652-E982 VanDerWaalsContact CE2-OE2 3.31Å; Y652-E982 WeakPolarHBondContact CE2-OE2 3.36Å; Y652-E982 VanDerWaalsContact OH-CD 3.31Å; Y652-E982 PolarHBondContact OH-OE1 3.33Å; Y652-E982 PolarHBondContact OH-OE2 3.14Å |
| 653 | Y | 88.6 | Confident | 88 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -112 | 155.7 | -179.6 | -69.8 | -108.9 | 0 | 0 | 0 | 110.7 | S583 V584 I585 K587 G590 I591 P645 T646 T647 | S583-Y653 CarbonylContact C-O 3.54Å; V584-Y653 PolarHBondContact N-O 3.2Å; I585-Y653 VanDerWaalsContact CB-O 3.28Å; I585-Y653 WeakPolarHBondContact CB-O 3.25Å; I585-Y653 WeakPolarHBondContact CG1-O 3.49Å; I585-Y653 PolarHBondContact N-O 3.03Å; I585-Y653 PolarHBondContact O-N 3Å; K587-Y653 HydrophobicContact CG-CE2 4.43Å; G590-Y653 VanDerWaalsContact C-CE1 3.5Å; I591-Y653 HydrophobicContact CG1-CE2 4.43Å; I591-Y653 WeakPolarHBondContact CG1-OH 3.36Å; P645-Y653 HydrophobicContact CB-CD1 4.02Å; P645-Y653 HydrophobicContact CB-CG 4.49Å; P645-Y653 HydrophobicContact CG-CD1 4.47Å; T646-Y653 CarbonylContact O-C 3.58Å; T646-Y653 WeakPolarHBondContact O-CA 3.49Å; T647-Y653 HydrophobicContact CG2-CD1 3.76Å; T647-Y653 HydrophobicContact CG2-CE1 3.38Å; T647-Y653 HydrophobicContact CG2-CE2 4.23Å; T647-Y653 HydrophobicContact CG2-CG 4.35Å |
| 654 | Y | 89.8 | Confident | 88.1 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -145.3 | 161.5 | 179.1 | 63.9 | -84.4 | 0 | 0 | 0 | 111 | A582 P645 T646 D648 N656 | A582-Y654 CarbonylContact O-C 3.34Å; A582-Y654 WeakPolarHBondContact O-CA 3.36Å; A582-Y654 WeakPolarHBondContact O-CB 3.43Å; P645-Y654 WeakPolarHBondContact CA-O 3.44Å; T646-Y654 PolarHBondContact N-O 3.26Å; T646-Y654 WeakPolarHBondContact O-CD1 3.37Å; T646-Y654 PolarHBondContact O-N 3.42Å; T646-Y654 VanDerWaalsContact OG1-CE2 3.23Å; T646-Y654 WeakPolarHBondContact OG1-CE2 3.36Å; T646-Y654 PolarHBondContact OG1-O 2.96Å; D648-Y654 PolarHBondContact OD1-OH 2.8Å; Y654-N656 HydrophobicContact CD2-CB 4.39Å; Y654-N656 HydrophobicContact CE2-CB 4Å |
| 655 | L | 91.8 | Very high | 88.1 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -100.4 | 115.4 | 170.3 | -53 | -169 | 0 | 0 | 0 | 108.9 | A582 I585 I596 Y598 L643 P645 F657 | A582-L655 HydrophobicContact CB-CB 4.31Å; A582-L655 HydrophobicContact CB-CG 4.34Å; A582-L655 PolarHBondContact O-N 2.75Å; I585-L655 HydrophobicContact CD1-CD2 3.82Å; I585-L655 HydrophobicContact CD1-CG 3.96Å; I596-L655 HydrophobicContact CB-CD1 4.31Å; I596-L655 HydrophobicContact CB-CD2 4.24Å; I596-L655 HydrophobicContact CD1-CD2 4.42Å; I596-L655 HydrophobicContact CG2-CD1 4.16Å; Y598-L655 HydrophobicContact CE2-CD1 3.74Å; L643-L655 HydrophobicContact CB-CD1 4.45Å; L643-L655 HydrophobicContact CB-CD2 4.46Å; L643-L655 HydrophobicContact CD1-CB 4.43Å; P645-L655 HydrophobicContact CB-CD2 4.06Å; L655-F657 HydrophobicContact CB-CE1 4.07Å; L655-F657 HydrophobicContact CB-CZ 4.15Å; L655-F657 HydrophobicContact CD1-CE1 4.36Å; L655-F657 HydrophobicContact CD1-CZ 4.36Å; L655-F657 PolarHBondContact O-N 3.38Å | ||
| 656 | N | 88.7 | Confident | 88.1 | Confident | 95 Ų | 95 | 41.9 Ų | 41.9 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | trans | -78.1 | 91.5 | 178.2 | -168 | -3.5 | 0 | 0 | 0 | 111.4 | Y654 G658 | Y654-N656 HydrophobicContact CD2-CB 4.39Å; Y654-N656 HydrophobicContact CE2-CB 4Å; N656-G658 PolarHBondContact O-N 2.78Å; N656-G658 WeakPolarHBondContact OD1-CA 3.47Å; N656-G658 PolarHBondContact OD1-N 2.97Å | ||
| 657 | F | 88.8 | Confident | 88 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | trans | -72.6 | -10.6 | 170.4 | -57.1 | -48.5 | 0 | 0 | 0 | 113.4 | F579 A582 L643 L655 N659 K660 K661 P662 | F579-F657 HydrophobicContact CB-CE2 3.91Å; F579-F657 HydrophobicContact CB-CZ 4.33Å; A582-F657 HydrophobicContact CB-CE2 3.73Å; A582-F657 HydrophobicContact CB-CZ 3.85Å; L643-F657 HydrophobicContact CD1-CD1 3.6Å; L643-F657 HydrophobicContact CD1-CE1 3.82Å; L655-F657 HydrophobicContact CB-CE1 4.07Å; L655-F657 HydrophobicContact CB-CZ 4.15Å; L655-F657 HydrophobicContact CD1-CE1 4.36Å; L655-F657 HydrophobicContact CD1-CZ 4.36Å; L655-F657 PolarHBondContact O-N 3.38Å; F657-N659 PolarHBondContact O-N 3.26Å; F657-K660 CarbonylContact O-C 3.53Å; F657-K660 PolarHBondContact O-N 3.32Å; F657-K661 HydrophobicContact CB-CD 4.22Å; F657-P662 HydrophobicContact CD1-CG 3.76Å; F657-P662 HydrophobicContact CD2-CG 4.47Å; F657-P662 HydrophobicContact CE1-CG 3.67Å; F657-P662 HydrophobicContact CE2-CG 4.38Å; F657-P662 HydrophobicContact CG-CG 4.19Å; F657-P662 HydrophobicContact CZ-CG 4Å | ||
| 658 | G | 86.3 | Confident | 88 | Confident | 14 Ų | 14 | 38 Ų | 38 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -133.8 | -172 | 0 | 0 | 0 | 0 | 0 | 112.1 | N656 K661 Y966 | N656-G658 PolarHBondContact O-N 2.78Å; N656-G658 WeakPolarHBondContact OD1-CA 3.47Å; N656-G658 PolarHBondContact OD1-N 2.97Å; G658-K661 WeakPolarHBondContact O-CE 3.2Å; G658-K661 PolarHBondContact O-NZ 2.65Å; G658-Y966 WeakPolarHBondContact O-CD2 3.45Å |
| 659 | N | 88.4 | Confident | 88.3 | Confident | 65 Ų | 65 | 37.1 Ų | 37.1 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.2 | 174.9 | 75.9 | -36.3 | 0 | 0 | 0 | 114.6 | F657 V901 Y902 Y966 | F657-N659 PolarHBondContact O-N 3.26Å; N659-V901 WeakPolarHBondContact O-CA 3.44Å; N659-Y902 WeakPolarHBondContact CB-O 3.27Å; N659-Y902 PolarHBondContact ND2-O 3.49Å; N659-Y902 PolarHBondContact O-N 3.2Å; N659-Y966 HydrophobicContact CB-CD1 3.56Å; N659-Y966 HydrophobicContact CB-CE1 3.69Å |
| 660 | K | 91.7 | Very high | 89.1 | Confident | 101 Ų | 101 | 34.9 Ų | 34.9 | 44% | 0.439 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 85 | -179.9 | -80 | 166.9 | 159.2 | -76.6 | 0 | 110 | F657 P662 E899 V901 | F657-K660 CarbonylContact O-C 3.53Å; F657-K660 PolarHBondContact O-N 3.32Å; K660-P662 WeakPolarHBondContact O-CD 3.47Å; K660-E899 IonicContact NZ-OE1 2.73Å; K660-E899 PolarHBondContact NZ-OE1 3.27Å; K660-E899 IonicContact NZ-OE2 3.8Å; K660-E899 PolarHBondContact NZ-OE2 3.36Å; K660-V901 HydrophobicContact CG-CG2 4.34Å |
| 661 | K | 94 | Very high | 89.6 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 118.8 | -175.8 | -58.5 | -47.9 | -168.9 | -176.9 | 0 | 110.4 | F579 S580 F657 G658 C663 E899 L900 Y902 | F579-K661 WeakPolarHBondContact O-CB 3.26Å; S580-K661 WeakPolarHBondContact O-CD 3.49Å; S580-K661 VanDerWaalsContact O-CE 3.24Å; S580-K661 WeakPolarHBondContact O-CE 3.15Å; S580-K661 PolarHBondContact O-NZ 3.21Å; F657-K661 HydrophobicContact CB-CD 4.22Å; G658-K661 WeakPolarHBondContact O-CE 3.2Å; G658-K661 PolarHBondContact O-NZ 2.65Å; K661-C663 PolarHBondContact O-N 3.01Å; K661-E899 CarbonylContact O-C 3.6Å; K661-E899 VanDerWaalsContact O-CA 3.29Å; K661-E899 WeakPolarHBondContact O-CA 3.42Å; K661-L900 HydrophobicContact CB-CB 4.28Å; K661-L900 PolarHBondContact N-O 3.45Å; K661-L900 PolarHBondContact O-N 3.48Å; K661-Y902 HydrophobicContact CB-CE2 4.37Å; K661-Y902 HydrophobicContact CG-CD2 3.7Å; K661-Y902 HydrophobicContact CG-CE2 3.68Å |
| 662 | P | 96.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 130.9 | -175.1 | 26.2 | -30.3 | 0 | 0 | 0 | 111.2 | F579 T640 F657 K660 | F579-P662 HydrophobicContact CB-CG 4.13Å; F579-P662 PolarHBondContact N-O 2.53Å; T640-P662 HydrophobicContact CG2-CB 4.29Å; T640-P662 HydrophobicContact CG2-CG 4.23Å; F657-P662 HydrophobicContact CD1-CG 3.76Å; F657-P662 HydrophobicContact CD2-CG 4.47Å; F657-P662 HydrophobicContact CE1-CG 3.67Å; F657-P662 HydrophobicContact CE2-CG 4.38Å; F657-P662 HydrophobicContact CG-CG 4.19Å; F657-P662 HydrophobicContact CZ-CG 4Å; K660-P662 WeakPolarHBondContact O-CD 3.47Å |
| 663 | C | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.6 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | F576 A577 Y637 K661 P897 N898 | F576-C663 HydrophobicContact CE2-CB 3.77Å; F576-C663 HydrophobicContact CZ-CB 3.82Å; A577-C663 CarbonylContact O-C 3.53Å; A577-C663 WeakPolarHBondContact O-CA 3.48Å; Y637-C663 WeakPolarHBondContact CD1-O 3.44Å; Y637-C663 WeakPolarHBondContact CE1-O 3.45Å; K661-C663 PolarHBondContact O-N 3.01Å; C663-P897 VanDerWaalsContact CB-O 3.25Å; C663-P897 WeakPolarHBondContact CB-O 3.43Å; C663-N898 PolarHBondContact N-O 3.16Å |
| 664 | L | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 144.7 | 174 | -53.3 | -170.3 | 0 | 0 | 0 | 109.6 | A577 F579 I600 Y637 T639 T640 | A577-L664 PolarHBondContact N-O 2.86Å; A577-L664 PolarHBondContact O-N 3.13Å; A577-L664 VanDerWaalsContact O-O 3.1Å; F579-L664 HydrophobicContact CD2-CG 4.46Å; F579-L664 HydrophobicContact CE2-CD1 3.61Å; F579-L664 HydrophobicContact CE2-CG 3.93Å; F579-L664 HydrophobicContact CZ-CD1 4.26Å; I600-L664 HydrophobicContact CB-CD1 4.21Å; I600-L664 HydrophobicContact CG2-CB 3.74Å; I600-L664 HydrophobicContact CG2-CD1 3.73Å; I600-L664 HydrophobicContact CG2-CG 4.41Å; Y637-L664 HydrophobicContact CD1-CD2 4.16Å; Y637-L664 HydrophobicContact CE1-CD2 4.13Å; Y637-L664 VanDerWaalsContact O-CA 3.28Å; Y637-L664 WeakPolarHBondContact O-CA 3.32Å; Y637-L664 WeakPolarHBondContact O-CB 3.3Å; T639-L664 WeakPolarHBondContact O-CD2 3.35Å; T640-L664 HydrophobicContact CG2-CD1 4.05Å; T640-L664 HydrophobicContact CG2-CD2 4.03Å; T640-L664 HydrophobicContact CG2-CG 4.28Å |
| 665 | Y | 93.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.2 | 176.1 | 55.2 | -90.9 | 0 | 0 | 0 | 111.7 | F574 L575 W635 Y637 K895 P896 P897 N898 | F574-Y665 HydrophobicContact CE2-CD2 4.46Å; F574-Y665 HydrophobicContact CE2-CG 4.43Å; L575-Y665 CarbonylContact O-C 3.53Å; L575-Y665 WeakPolarHBondContact O-CA 3.48Å; L575-Y665 WeakPolarHBondContact O-CB 3.29Å; W635-Y665 HydrophobicContact CB-CD2 4.06Å; W635-Y665 HydrophobicContact CB-CE2 4.05Å; Y637-Y665 CarbonylContact C-O 3.55Å; Y637-Y665 HydrophobicContact CD1-CE1 4.07Å; Y637-Y665 HydrophobicContact CG-CE1 4.22Å; Y637-Y665 PolarHBondContact N-O 3.25Å; Y637-Y665 PolarHBondContact O-N 3Å; Y665-K895 WeakPolarHBondContact OH-CE 3.43Å; Y665-P896 HydrophobicContact CD1-CB 3.87Å; Y665-P896 HydrophobicContact CD2-CB 4.38Å; Y665-P896 HydrophobicContact CD2-CG 4.32Å; Y665-P896 HydrophobicContact CE1-CB 4.11Å; Y665-P896 HydrophobicContact CG-CB 4.03Å; Y665-P896 HydrophobicContact CG-CG 4.34Å; Y665-P897 WeakPolarHBondContact CE1-O 3.33Å; Y665-N898 WeakPolarHBondContact CE1-OD1 3.34Å; Y665-N898 PolarHBondContact OH-OD1 2.92Å |
| 666 | L | 91.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 154.4 | 172.1 | 57.8 | 82.5 | 0 | 0 | 0 | 111.2 | L575 I600 F602 W635 | L575-L666 HydrophobicContact CB-CD1 3.76Å; L575-L666 HydrophobicContact CB-CG 4.09Å; L575-L666 HydrophobicContact CD2-CD1 3.92Å; L575-L666 HydrophobicContact CD2-CD2 4.23Å; L575-L666 HydrophobicContact CD2-CG 4.02Å; L575-L666 HydrophobicContact CG-CD1 4.44Å; L575-L666 HydrophobicContact CG-CG 4.49Å; L575-L666 PolarHBondContact N-O 2.77Å; L575-L666 PolarHBondContact O-N 3.33Å; I600-L666 HydrophobicContact CG2-CD2 4.41Å; F602-L666 HydrophobicContact CB-CD1 3.66Å; F602-L666 HydrophobicContact CB-CD2 4.45Å; F602-L666 HydrophobicContact CD1-CD1 3.85Å; F602-L666 HydrophobicContact CG-CD1 4.24Å; W635-L666 CarbonylContact O-C 3.55Å; W635-L666 VanDerWaalsContact O-CA 3.27Å; W635-L666 WeakPolarHBondContact O-CA 3.15Å |
| 667 | T | 89.2 | Confident | 91 | Very high | 10 Ų | 10 | 20 Ų | 20 | 6% | 0.061 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 143.3 | 164.1 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | L572 Y573 F574 Y605 V633 W635 I872 | L572-T667 HydrophobicContact CD1-CG2 4.5Å; L572-T667 HydrophobicContact CD2-CG2 4.35Å; L572-T667 HydrophobicContact CG-CG2 4.32Å; Y573-T667 CarbonylContact O-C 3.53Å; Y573-T667 WeakPolarHBondContact O-CA 3.03Å; F574-T667 HydrophobicContact CD2-CG2 4.14Å; Y605-T667 WeakPolarHBondContact CD1-O 3.46Å; V633-T667 HydrophobicContact CG1-CG2 4.11Å; W635-T667 HydrophobicContact CB-CG2 4.32Å; W635-T667 PolarHBondContact O-N 3.44Å; W635-T667 PolarHBondContact O-OG1 2.9Å; T667-I872 HydrophobicContact CG2-CD1 4.43Å |
| 668 | G | 87.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y573 | Y573-G668 PolarHBondContact N-O 3.44Å; Y573-G668 PolarHBondContact O-N 3.02Å |
| 669 | Y | 87.4 | Confident | 91.6 | Very high | 92 Ų | 92 | 19 Ų | 19 | 36% | 0.361 | 9% | 0.087 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 103 | -172.9 | -166.2 | -123.4 | 0 | 0 | 0 | 111.1 | K570 S571 L572 Y605 | K570-Y669 HydrophobicContact CB-CD1 3.93Å; K570-Y669 HydrophobicContact CB-CD2 4.42Å; K570-Y669 HydrophobicContact CB-CE1 3.46Å; K570-Y669 VanDerWaalsContact CB-CE1 3.46Å; K570-Y669 HydrophobicContact CB-CE2 3.98Å; K570-Y669 HydrophobicContact CB-CG 4.38Å; K570-Y669 VanDerWaalsContact CB-CZ 3.46Å; K570-Y669 HydrophobicContact CD-CD1 4.25Å; K570-Y669 HydrophobicContact CD-CE1 4.19Å; K570-Y669 HydrophobicContact CG-CE1 4.42Å; K570-Y669 WeakPolarHBondContact O-CE2 3.15Å; K570-Y669 VanDerWaalsContact O-CZ 3.29Å; K570-Y669 PolarHBondContact O-OH 2.77Å; S571-Y669 WeakPolarHBondContact O-CD2 3.42Å; L572-Y669 HydrophobicContact CB-CD2 4.4Å; L572-Y669 HydrophobicContact CD1-CD2 4.27Å; Y605-Y669 WeakPolarHBondContact OH-CB 3.4Å; Y605-Y669 PolarHBondContact OH-N 3.48Å |
| 670 | Y | 91.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.02 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 160.5 | -172.9 | -63.3 | -66.5 | 0 | 0 | 0 | 111.2 | K570 S571 F602 G603 L604 Y605 L799 P800 | K570-Y670 CarbonylContact C-O 3.31Å; K570-Y670 WeakPolarHBondContact CA-O 3.38Å; S571-Y670 PolarHBondContact N-O 3.11Å; S571-Y670 PolarHBondContact O-N 3.42Å; S571-Y670 VanDerWaalsContact O-O 3.13Å; F602-Y670 HydrophobicContact CD1-CD2 4.38Å; F602-Y670 AromaticContact CD1-CE2 3.83Å; F602-Y670 HydrophobicContact CD1-CE2 3.83Å; F602-Y670 HydrophobicContact CD2-CE2 4.28Å; F602-Y670 AromaticContact CE1-CD2 3.61Å; F602-Y670 HydrophobicContact CE1-CD2 3.61Å; F602-Y670 AromaticContact CE1-CE2 3.51Å; F602-Y670 HydrophobicContact CE1-CE2 3.51Å; F602-Y670 HydrophobicContact CE2-CD2 4.25Å; F602-Y670 AromaticContact CE2-CE2 3.99Å; F602-Y670 HydrophobicContact CE2-CE2 3.99Å; F602-Y670 HydrophobicContact CG-CE2 4.2Å; F602-Y670 AromaticContact CZ-CD2 3.52Å; F602-Y670 HydrophobicContact CZ-CD2 3.52Å; F602-Y670 AromaticContact CZ-CE2 3.59Å; F602-Y670 HydrophobicContact CZ-CE2 3.59Å; F602-Y670 PolarHBondContact O-OH 2.89Å; G603-Y670 WeakPolarHBondContact CA-OH 3.36Å; L604-Y670 PolarHBondContact N-OH 3.25Å; Y605-Y670 AromaticContact CD2-CE2 3.79Å; Y605-Y670 HydrophobicContact CD2-CE2 3.79Å; Y605-Y670 AromaticContact CD2-CZ 3.74Å; Y605-Y670 WeakPolarHBondContact CD2-OH 3.44Å; Y605-Y670 HydrophobicContact CE2-CD2 4.49Å; Y605-Y670 HydrophobicContact CE2-CE1 4.13Å; Y605-Y670 AromaticContact CE2-CE2 3.75Å; Y605-Y670 HydrophobicContact CE2-CE2 3.75Å; Y605-Y670 AromaticContact CE2-CZ 3.55Å; Y670-L799 HydrophobicContact CD2-CD2 4.38Å; Y670-L799 HydrophobicContact CG-CD2 4.32Å; Y670-P800 HydrophobicContact CD1-CG 4.31Å; Y670-P800 HydrophobicContact CE1-CG 3.8Å; Y670-P800 HydrophobicContact CE2-CG 4.29Å |
| 671 | E | 91.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 138.9 | 180 | -60.4 | 82.7 | 172.1 | 0 | 0 | 112.1 | W501 R536 A567 K570 H673 | W501-E671 VanDerWaalsContact NE1-CD 3.3Å; W501-E671 PolarHBondContact NE1-OE1 2.89Å; R536-E671 IonicContact CZ-OE1 2.75Å; R536-E671 IonicContact CZ-OE2 2.89Å; R536-E671 VanDerWaalsContact CZ-OE2 3.31Å; R536-E671 IonicContact NH1-OE1 2.74Å; R536-E671 IonicContact NH1-OE2 3.66Å; R536-E671 PolarHBondContact NH1-OE2 2.85Å; R536-E671 IonicContact NH2-OE1 2.79Å; R536-E671 PolarHBondContact NH2-OE1 2.78Å; R536-E671 IonicContact NH2-OE2 3.72Å; R536-E671 PolarHBondContact NH2-OE2 3.4Å; A567-E671 HydrophobicContact CB-CG 3.98Å; K570-E671 WeakPolarHBondContact CE-OE1 3.32Å; K570-E671 HydrophobicContact CG-CG 3.87Å; E671-H673 PolarHBondContact O-N 2.95Å |
| 672 | D | 89.5 | Confident | 92.2 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | trans | -73.5 | 103.4 | 175.9 | -179.7 | 15.4 | 0 | 0 | 0 | 111.4 | K569 Y573 R674 D736 T737 A738 | K569-D672 PolarHBondContact O-N 3.14Å; Y573-D672 WeakPolarHBondContact OH-CA 3.12Å; Y573-D672 PolarHBondContact OH-OD1 3.34Å; D672-R674 VanDerWaalsContact CG-NE 3.3Å; D672-R674 WeakPolarHBondContact OD1-CB 3.5Å; D672-R674 WeakPolarHBondContact OD1-CD 3.35Å; D672-R674 WeakPolarHBondContact OD1-CG 3.48Å; D672-R674 IonicContact OD1-CZ 2.87Å; D672-R674 PolarHBondContact OD1-N 3.28Å; D672-R674 VanDerWaalsContact OD1-N 3.14Å; D672-R674 IonicContact OD1-NE 3.57Å; D672-R674 PolarHBondContact OD1-NE 3.3Å; D672-R674 IonicContact OD1-NH2 2.69Å; D672-R674 IonicContact OD2-CZ 3.33Å; D672-R674 VanDerWaalsContact OD2-CZ 3.28Å; D672-R674 IonicContact OD2-NE 2.72Å; D672-R674 PolarHBondContact OD2-NE 3.08Å; D672-R674 IonicContact OD2-NH2 2.78Å; D672-R674 PolarHBondContact OD2-NH2 2.88Å; D672-D736 WeakPolarHBondContact O-CB 3.29Å; D672-D736 WeakPolarHBondContact OD1-CB 3.11Å; D672-T737 HydrophobicContact CB-CG2 4.1Å; D672-T737 WeakPolarHBondContact CB-OG1 3.38Å; D672-T737 PolarHBondContact O-N 3.14Å; D672-T737 PolarHBondContact OD2-N 2.75Å; D672-A738 PolarHBondContact O-N 2.94Å | ||
| 673 | H | 89.5 | Confident | 92.1 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 2% | 0.023 | 5% | 0.046 | C | C | . | . | trans | -114.8 | 29.7 | 176.5 | -73.3 | -48 | 0 | 0 | 0 | 112.6 | A567 E671 S675 R676 D736 | A567-H673 PolarHBondContact O-CE1 2.88Å; E671-H673 PolarHBondContact O-N 2.95Å; H673-S675 PolarHBondContact O-N 2.94Å; H673-R676 PolarHBondContact CE1-NH1 3.03Å; H673-R676 WeakPolarHBondContact O-CB 3.37Å; H673-R676 PolarHBondContact O-N 2.88Å; H673-D736 VanDerWaalsContact C-OD2 3.29Å | ||
| 674 | R | 90.4 | Very high | 92 | Very high | 50 Ų | 50 | 12 Ų | 12 | 19% | 0.189 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -32.8 | -174.2 | -80.2 | 171.8 | -60.6 | 121.7 | -0.6 | 115.1 | D672 R676 M677 C678 R735 D736 Y824 | D672-R674 VanDerWaalsContact CG-NE 3.3Å; D672-R674 WeakPolarHBondContact OD1-CB 3.5Å; D672-R674 WeakPolarHBondContact OD1-CD 3.35Å; D672-R674 WeakPolarHBondContact OD1-CG 3.48Å; D672-R674 IonicContact OD1-CZ 2.87Å; D672-R674 PolarHBondContact OD1-N 3.28Å; D672-R674 VanDerWaalsContact OD1-N 3.14Å; D672-R674 IonicContact OD1-NE 3.57Å; D672-R674 PolarHBondContact OD1-NE 3.3Å; D672-R674 IonicContact OD1-NH2 2.69Å; D672-R674 IonicContact OD2-CZ 3.33Å; D672-R674 VanDerWaalsContact OD2-CZ 3.28Å; D672-R674 IonicContact OD2-NE 2.72Å; D672-R674 PolarHBondContact OD2-NE 3.08Å; D672-R674 IonicContact OD2-NH2 2.78Å; D672-R674 PolarHBondContact OD2-NH2 2.88Å; R674-R676 PolarHBondContact O-N 3.21Å; R674-M677 HydrophobicContact CG-CE 4.17Å; R674-M677 PolarHBondContact O-N 3.15Å; R674-C678 WeakPolarHBondContact O-CB 3.47Å; R674-C678 PolarHBondContact O-N 2.85Å; R674-C678 PolarHBondContact O-SG 3.12Å; R674-C678 VanDerWaalsContact O-SG 3.42Å; R674-R735 PolarHBondContact NH1-O 2.85Å; R674-R735 PolarHBondContact NH2-O 2.89Å; R674-D736 HydrophobicContact CB-CB 4.13Å; R674-D736 PolarHBondContact N-OD2 3.35Å; R674-Y824 WeakPolarHBondContact CD-OH 3.49Å; R674-Y824 HydrophobicContact CG-CE1 4.01Å; R674-Y824 HydrophobicContact CG-CE2 4.28Å |
| 675 | S | 90.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 12% | 0.119 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.9 | -34.1 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 113 | H673 M677 I679 D736 | H673-S675 PolarHBondContact O-N 2.94Å; S675-M677 PolarHBondContact O-N 3.37Å; S675-I679 WeakPolarHBondContact O-CB 3.25Å; S675-I679 WeakPolarHBondContact O-CD1 3.3Å; S675-I679 VanDerWaalsContact O-CG1 3.23Å; S675-I679 WeakPolarHBondContact O-CG1 3.48Å; S675-I679 PolarHBondContact O-N 3.1Å; S675-D736 WeakPolarHBondContact CB-OD2 3.48Å; S675-D736 PolarHBondContact N-OD2 3.41Å; S675-D736 PolarHBondContact OG-OD2 2.81Å |
| 676 | R | 92.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 4% | 0.038 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -73.7 | -10 | 178.1 | -58.1 | -177.9 | -178.6 | 168.1 | 1.9 | 113.8 | S500 H673 R674 P680 D744 D797 | S500-R676 PolarHBondContact OG-NH1 2.72Å; H673-R676 PolarHBondContact CE1-NH1 3.03Å; H673-R676 WeakPolarHBondContact O-CB 3.37Å; H673-R676 PolarHBondContact O-N 2.88Å; R674-R676 PolarHBondContact O-N 3.21Å; R676-P680 WeakPolarHBondContact O-CD 3.44Å; R676-P680 WeakPolarHBondContact O-CG 3.24Å; R676-D744 IonicContact CZ-OD1 3.34Å; R676-D744 IonicContact CZ-OD2 2.59Å; R676-D744 IonicContact NE-OD1 3.92Å; R676-D744 PolarHBondContact NE-OD1 2.88Å; R676-D744 IonicContact NE-OD2 3.27Å; R676-D744 IonicContact NH2-OD1 3.85Å; R676-D744 PolarHBondContact NH2-OD1 2.8Å; R676-D744 IonicContact NH2-OD2 3.62Å; R676-D744 PolarHBondContact NH2-OD2 3.06Å; R676-D797 WeakPolarHBondContact CD-O 3.41Å; R676-D797 PolarHBondContact NH1-O 2.86Å |
| 677 | M | 92.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -107.3 | -50.9 | 175.8 | -60.1 | -175.9 | -65.9 | 0 | 0 | 110.9 | R674 S675 I679 P680 N681 L799 R821 Y824 | R674-M677 HydrophobicContact CG-CE 4.17Å; R674-M677 PolarHBondContact O-N 3.15Å; S675-M677 PolarHBondContact O-N 3.37Å; M677-I679 PolarHBondContact O-N 2.88Å; M677-P680 WeakPolarHBondContact O-CD 3.23Å; M677-N681 WeakPolarHBondContact O-CB 3.26Å; M677-N681 PolarHBondContact O-N 3.13Å; M677-N681 VanDerWaalsContact O-N 3.12Å; M677-N681 PolarHBondContact O-ND2 3.44Å; M677-N681 PolarHBondContact O-OD1 3.33Å; M677-L799 HydrophobicContact CE-CD1 3.66Å; M677-L799 HydrophobicContact CE-CG 3.99Å; M677-L799 HydrophobicContact SD-CB 4.29Å; M677-L799 HydrophobicContact SD-CD1 3.78Å; M677-L799 HydrophobicContact SD-CG 3.92Å; M677-R821 HydrophobicContact CB-CB 3.81Å; M677-R821 HydrophobicContact CG-CB 3.9Å; M677-Y824 HydrophobicContact CB-CD1 4.46Å; M677-Y824 HydrophobicContact CE-CD1 4.25Å; M677-Y824 HydrophobicContact CE-CD2 3.57Å; M677-Y824 HydrophobicContact CE-CE2 3.86Å; M677-Y824 HydrophobicContact CE-CG 3.83Å; M677-Y824 HydrophobicContact SD-CD2 4.16Å; M677-Y824 HydrophobicContact SD-CG 4.15Å |
| 678 | C | 93.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.02 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.6 | -39.8 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 112.9 | R674 N681 I682 E831 | R674-C678 WeakPolarHBondContact O-CB 3.47Å; R674-C678 PolarHBondContact O-N 2.85Å; R674-C678 PolarHBondContact O-SG 3.12Å; R674-C678 VanDerWaalsContact O-SG 3.42Å; C678-N681 PolarHBondContact O-N 2.93Å; C678-I682 VanDerWaalsContact O-CG1 3.31Å; C678-I682 WeakPolarHBondContact O-CG1 3.16Å; C678-I682 PolarHBondContact O-N 2.99Å; C678-I682 VanDerWaalsContact O-N 3.1Å; C678-E831 HydrophobicContact CB-CB 3.93Å; C678-E831 HydrophobicContact CB-CG 3.86Å; C678-E831 PolarHBondContact SG-OE2 2.7Å; C678-E831 VanDerWaalsContact SG-OE2 3.4Å |
| 679 | I | 94.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.2 | -50.3 | -178 | -63 | 171.3 | 0 | 0 | 0 | 111.5 | S675 M677 N681 I682 L683 I731 C734 Y747 V751 | S675-I679 WeakPolarHBondContact O-CB 3.25Å; S675-I679 WeakPolarHBondContact O-CD1 3.3Å; S675-I679 VanDerWaalsContact O-CG1 3.23Å; S675-I679 WeakPolarHBondContact O-CG1 3.48Å; S675-I679 PolarHBondContact O-N 3.1Å; M677-I679 PolarHBondContact O-N 2.88Å; I679-N681 VanDerWaalsContact C-N 3.33Å; I679-N681 PolarHBondContact O-N 3.25Å; I679-I682 PolarHBondContact O-N 3.29Å; I679-L683 HydrophobicContact CG2-CD1 4.18Å; I679-L683 WeakPolarHBondContact O-CG 3.47Å; I679-L683 PolarHBondContact O-N 2.89Å; I679-I731 HydrophobicContact CD1-CG2 3.96Å; I679-I731 HydrophobicContact CG1-CG1 4.3Å; I679-I731 HydrophobicContact CG1-CG2 4.04Å; I679-I731 HydrophobicContact CG2-CD1 4.31Å; I679-I731 HydrophobicContact CG2-CG1 4.21Å; I679-I731 HydrophobicContact CG2-CG2 4.25Å; I679-C734 HydrophobicContact CD1-CB 4.35Å; I679-C734 HydrophobicContact CG1-CB 4.17Å; I679-Y747 HydrophobicContact CB-CE1 4.11Å; I679-Y747 HydrophobicContact CG2-CD1 4.49Å; I679-Y747 HydrophobicContact CG2-CE1 3.62Å; I679-V751 HydrophobicContact CG2-CG1 4.49Å |
| 680 | P | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -53.9 | -43.6 | 169.3 | -32.3 | 38.8 | 0 | 0 | 0 | 114.3 | R676 M677 I682 L683 E684 S792 C794 | R676-P680 WeakPolarHBondContact O-CD 3.44Å; R676-P680 WeakPolarHBondContact O-CG 3.24Å; M677-P680 WeakPolarHBondContact O-CD 3.23Å; P680-I682 VanDerWaalsContact C-N 3.33Å; P680-I682 PolarHBondContact O-N 2.8Å; P680-L683 PolarHBondContact O-N 3.49Å; P680-E684 WeakPolarHBondContact O-CB 3.27Å; P680-E684 PolarHBondContact O-N 3.11Å; P680-S792 WeakPolarHBondContact CB-O 3.47Å; P680-C794 HydrophobicContact CG-CB 3.81Å |
| 681 | N | 95 | Very high | 91.9 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | -177.9 | -69.6 | -4.3 | 0 | 0 | 0 | 112.6 | M677 C678 I679 L683 K685 R821 C830 E831 G833 | M677-N681 WeakPolarHBondContact O-CB 3.26Å; M677-N681 PolarHBondContact O-N 3.13Å; M677-N681 VanDerWaalsContact O-N 3.12Å; M677-N681 PolarHBondContact O-ND2 3.44Å; M677-N681 PolarHBondContact O-OD1 3.33Å; C678-N681 PolarHBondContact O-N 2.93Å; I679-N681 VanDerWaalsContact C-N 3.33Å; I679-N681 PolarHBondContact O-N 3.25Å; N681-L683 VanDerWaalsContact C-N 3.33Å; N681-L683 PolarHBondContact O-N 3.46Å; N681-K685 WeakPolarHBondContact O-CG 3.47Å; N681-K685 PolarHBondContact O-N 2.63Å; N681-R821 PolarHBondContact ND2-O 3.41Å; N681-R821 PolarHBondContact OD1-O 3.01Å; N681-C830 CarbonylContact C-O 3.6Å; N681-E831 VanDerWaalsContact CB-O 3.29Å; N681-E831 WeakPolarHBondContact CB-O 3.4Å; N681-E831 PolarHBondContact ND2-O 3.05Å; N681-G833 WeakPolarHBondContact ND2-CA 3.4Å; N681-G833 PolarHBondContact ND2-N 2.84Å |
| 682 | I | 95.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 173 | -68.1 | 163.7 | 0 | 0 | 0 | 110.7 | C678 I679 P680 L686 A727 I731 C830 E831 | C678-I682 VanDerWaalsContact O-CG1 3.31Å; C678-I682 WeakPolarHBondContact O-CG1 3.16Å; C678-I682 PolarHBondContact O-N 2.99Å; C678-I682 VanDerWaalsContact O-N 3.1Å; I679-I682 PolarHBondContact O-N 3.29Å; P680-I682 VanDerWaalsContact C-N 3.33Å; P680-I682 PolarHBondContact O-N 2.8Å; I682-L686 HydrophobicContact CG2-CD1 4.43Å; I682-L686 WeakPolarHBondContact O-CG 3.41Å; I682-L686 PolarHBondContact O-N 2.85Å; I682-A727 HydrophobicContact CG2-CB 3.77Å; I682-I731 HydrophobicContact CD1-CG1 3.85Å; I682-I731 HydrophobicContact CG2-CD1 4.3Å; I682-I731 HydrophobicContact CG2-CG1 4.42Å; I682-C830 WeakPolarHBondContact CA-O 3.41Å; I682-C830 HydrophobicContact CG1-CB 4.12Å; I682-C830 WeakPolarHBondContact CG1-O 3.21Å; I682-C830 PolarHBondContact N-O 2.91Å; I682-E831 HydrophobicContact CD1-CG 4.03Å; I682-E831 HydrophobicContact CG1-CG 4.33Å |
| 683 | L | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75 | -38.8 | -176 | -61.6 | 168.4 | 0 | 0 | 0 | 112.6 | I679 P680 N681 L686 S687 I731 V751 L755 L788 L791 | I679-L683 HydrophobicContact CG2-CD1 4.18Å; I679-L683 WeakPolarHBondContact O-CG 3.47Å; I679-L683 PolarHBondContact O-N 2.89Å; P680-L683 PolarHBondContact O-N 3.49Å; N681-L683 VanDerWaalsContact C-N 3.33Å; N681-L683 PolarHBondContact O-N 3.46Å; L683-L686 PolarHBondContact O-N 3.28Å; L683-S687 WeakPolarHBondContact O-CB 3.39Å; L683-S687 PolarHBondContact O-N 2.87Å; L683-I731 HydrophobicContact CD2-CD1 4.36Å; L683-V751 HydrophobicContact CD1-CG1 3.81Å; L683-V751 HydrophobicContact CD1-CG2 4.21Å; L683-V751 HydrophobicContact CD2-CG1 3.74Å; L683-V751 HydrophobicContact CG-CG1 4.3Å; L683-L755 HydrophobicContact CD2-CD1 4.05Å; L683-L755 HydrophobicContact CD2-CD2 4.16Å; L683-L755 HydrophobicContact CD2-CG 4.4Å; L683-L788 HydrophobicContact CB-CD1 4.23Å; L683-L788 HydrophobicContact CD2-CD1 3.67Å; L683-L791 HydrophobicContact CD1-CB 4.19Å; L683-L791 VanDerWaalsContact CD1-O 3.27Å; L683-L791 WeakPolarHBondContact CD1-O 3.39Å |
| 684 | E | 91.5 | Very high | 91.2 | Very high | 33 Ų | 33 | 25 Ų | 25 | 15% | 0.154 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -49.7 | 175.7 | -171.8 | 165.5 | -165.5 | 0 | 0 | 110.1 | P680 L686 S687 E688 R821 K834 | P680-E684 WeakPolarHBondContact O-CB 3.27Å; P680-E684 PolarHBondContact O-N 3.11Å; E684-L686 PolarHBondContact O-N 2.81Å; E684-S687 WeakPolarHBondContact O-CA 3.43Å; E684-S687 WeakPolarHBondContact O-CB 3.16Å; E684-S687 PolarHBondContact O-N 2.88Å; E684-E688 WeakPolarHBondContact O-CG 3.42Å; E684-E688 PolarHBondContact O-N 2.88Å; E684-R821 IonicContact OE1-NH2 2.72Å; E684-R821 IonicContact OE2-CZ 3.16Å; E684-R821 IonicContact OE2-NE 3.18Å; E684-R821 IonicContact OE2-NH2 2.68Å; E684-R821 PolarHBondContact OE2-NH2 3.03Å; E684-K834 IonicContact OE1-NZ 3.21Å; E684-K834 PolarHBondContact OE1-NZ 2.79Å; E684-K834 IonicContact OE2-NZ 2.71Å |
| 685 | K | 91.3 | Very high | 90.6 | Very high | 60 Ų | 60 | 25 Ų | 25 | 26% | 0.261 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.3 | -76 | 171.2 | 168.2 | 169.4 | 0 | 113.8 | N681 S687 E689 D829 R832 | N681-K685 WeakPolarHBondContact O-CG 3.47Å; N681-K685 PolarHBondContact O-N 2.63Å; K685-S687 PolarHBondContact O-N 2.66Å; K685-E689 PolarHBondContact O-N 2.82Å; K685-E689 VanDerWaalsContact O-N 3.12Å; K685-D829 PolarHBondContact NZ-O 3.29Å; K685-R832 WeakPolarHBondContact CE-O 3.35Å; K685-R832 PolarHBondContact NZ-O 3.15Å |
| 686 | L | 93.7 | Very high | 90 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 7% | 0.073 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.7 | -33.3 | 173.1 | -75.6 | 176.1 | 0 | 0 | 0 | 112 | I682 L683 E684 F690 M720 K723 F724 A727 L755 L788 | I682-L686 HydrophobicContact CG2-CD1 4.43Å; I682-L686 WeakPolarHBondContact O-CG 3.41Å; I682-L686 PolarHBondContact O-N 2.85Å; L683-L686 PolarHBondContact O-N 3.28Å; E684-L686 PolarHBondContact O-N 2.81Å; L686-F690 VanDerWaalsContact O-CB 3.23Å; L686-F690 WeakPolarHBondContact O-CB 3.41Å; L686-F690 PolarHBondContact O-N 2.93Å; L686-M720 HydrophobicContact CD2-CE 4.02Å; L686-K723 HydrophobicContact CD2-CB 3.83Å; L686-F724 HydrophobicContact CB-CE2 4.41Å; L686-F724 HydrophobicContact CD1-CD2 4.09Å; L686-F724 HydrophobicContact CD1-CE2 4.25Å; L686-F724 HydrophobicContact CD2-CD2 4.21Å; L686-F724 HydrophobicContact CD2-CE2 4.41Å; L686-A727 HydrophobicContact CD1-CB 3.68Å; L686-L755 HydrophobicContact CD1-CD2 4.39Å; L686-L788 HydrophobicContact CB-CD2 3.69Å |
| 687 | S | 92.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76.7 | -45.7 | -178 | -146.2 | 0 | 0 | 0 | 0 | 111.4 | L683 E684 K685 E689 F690 Y691 H785 C789 | L683-S687 WeakPolarHBondContact O-CB 3.39Å; L683-S687 PolarHBondContact O-N 2.87Å; E684-S687 WeakPolarHBondContact O-CA 3.43Å; E684-S687 WeakPolarHBondContact O-CB 3.16Å; E684-S687 PolarHBondContact O-N 2.88Å; K685-S687 PolarHBondContact O-N 2.66Å; S687-E689 VanDerWaalsContact C-N 3.35Å; S687-E689 PolarHBondContact O-N 3.24Å; S687-F690 PolarHBondContact O-N 2.85Å; S687-Y691 VanDerWaalsContact O-CB 3.26Å; S687-Y691 WeakPolarHBondContact O-CB 3.2Å; S687-Y691 PolarHBondContact O-N 2.88Å; S687-H785 PolarHBondContact O-CD2 3.47Å; S687-H785 PolarHBondContact O-NE2 3.44Å; S687-H785 PolarHBondContact OG-CD2 3.39Å; S687-H785 PolarHBondContact OG-NE2 2.81Å; S687-C789 PolarHBondContact OG-SG 2.94Å |
| 688 | E | 86.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 28.6 Ų | 28.6 | 39% | 0.388 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -56 | -47.4 | 173.4 | -70.2 | 177.1 | 154.5 | 0 | 0 | 111.4 | E684 Y692 | E684-E688 WeakPolarHBondContact O-CG 3.42Å; E684-E688 PolarHBondContact O-N 2.88Å; E688-Y692 PolarHBondContact O-N 3.31Å; E688-Y692 VanDerWaalsContact O-N 3.1Å |
| 689 | E | 89 | Confident | 87.3 | Confident | 53 Ų | 53 | 30.4 Ų | 30.4 | 25% | 0.248 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -50.9 | 176 | -172.4 | -178.5 | 170.9 | 0 | 0 | 111.2 | K685 S687 Y691 Y692 Q693 M720 K723 | K685-E689 PolarHBondContact O-N 2.82Å; K685-E689 VanDerWaalsContact O-N 3.12Å; S687-E689 VanDerWaalsContact C-N 3.35Å; S687-E689 PolarHBondContact O-N 3.24Å; E689-Y691 VanDerWaalsContact C-N 3.28Å; E689-Y691 PolarHBondContact O-N 2.68Å; E689-Y692 WeakPolarHBondContact O-CB 3.49Å; E689-Y692 PolarHBondContact O-N 3.12Å; E689-Y692 VanDerWaalsContact O-N 3.13Å; E689-Q693 HydrophobicContact CG-CG 4.3Å; E689-Q693 WeakPolarHBondContact O-CG 3.22Å; E689-Q693 PolarHBondContact O-N 2.98Å; E689-M720 HydrophobicContact CG-SD 4.39Å; E689-K723 IonicContact OE1-NZ 3.76Å; E689-K723 PolarHBondContact OE1-NZ 3.08Å; E689-K723 IonicContact OE2-NZ 3.2Å; E689-K723 PolarHBondContact OE2-NZ 2.78Å |
| 690 | F | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | -176.6 | -170.4 | -155.5 | 0 | 0 | 0 | 112.1 | L686 S687 Q693 I694 V716 M720 M762 A781 L784 H785 | L686-F690 VanDerWaalsContact O-CB 3.23Å; L686-F690 WeakPolarHBondContact O-CB 3.41Å; L686-F690 PolarHBondContact O-N 2.93Å; S687-F690 PolarHBondContact O-N 2.85Å; F690-Q693 PolarHBondContact O-N 2.79Å; F690-I694 HydrophobicContact CD1-CD1 4.15Å; F690-I694 HydrophobicContact CD2-CD1 3.81Å; F690-I694 HydrophobicContact CD2-CG1 3.99Å; F690-I694 HydrophobicContact CE1-CD1 4.09Å; F690-I694 HydrophobicContact CE2-CD1 3.76Å; F690-I694 HydrophobicContact CE2-CG1 3.9Å; F690-I694 HydrophobicContact CG-CD1 4.02Å; F690-I694 HydrophobicContact CZ-CD1 3.9Å; F690-I694 HydrophobicContact CZ-CG1 4.46Å; F690-I694 WeakPolarHBondContact O-CB 3.23Å; F690-I694 WeakPolarHBondContact O-CD1 3.35Å; F690-I694 VanDerWaalsContact O-CG1 3.23Å; F690-I694 WeakPolarHBondContact O-CG1 3.16Å; F690-I694 PolarHBondContact O-N 3.42Å; F690-V716 HydrophobicContact CD2-CG1 4.29Å; F690-V716 HydrophobicContact CE2-CG1 4.16Å; F690-M720 HydrophobicContact CB-CE 3.91Å; F690-M720 HydrophobicContact CB-SD 4.37Å; F690-M720 HydrophobicContact CD2-CG 3.75Å; F690-M720 HydrophobicContact CE2-CG 4.24Å; F690-M720 HydrophobicContact CG-CE 4.43Å; F690-M720 HydrophobicContact CG-CG 4.3Å; F690-M762 HydrophobicContact CE2-SD 4.5Å; F690-M762 HydrophobicContact CZ-SD 4.09Å; F690-A781 HydrophobicContact CE2-CB 4.37Å; F690-A781 HydrophobicContact CZ-CB 4.07Å; F690-L784 HydrophobicContact CE1-CB 3.75Å; F690-L784 HydrophobicContact CZ-CB 4.19Å; F690-H785 HydrophobicContact CD1-CB 3.92Å; F690-H785 HydrophobicContact CE1-CB 4.13Å |
| 691 | Y | 87.9 | Confident | 85.1 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 28% | 0.282 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.7 | -52.6 | 172.2 | -177.3 | -100.4 | 0 | 0 | 0 | 111.3 | S687 E689 Q693 I694 Q695 H785 | S687-Y691 VanDerWaalsContact O-CB 3.26Å; S687-Y691 WeakPolarHBondContact O-CB 3.2Å; S687-Y691 PolarHBondContact O-N 2.88Å; E689-Y691 VanDerWaalsContact C-N 3.28Å; E689-Y691 PolarHBondContact O-N 2.68Å; Y691-Q693 VanDerWaalsContact C-N 3.31Å; Y691-Q693 PolarHBondContact O-N 3.2Å; Y691-I694 WeakPolarHBondContact O-CB 3.3Å; Y691-I694 PolarHBondContact O-N 2.94Å; Y691-I694 VanDerWaalsContact O-N 3.11Å; Y691-Q695 HydrophobicContact CD1-CG 4.11Å; Y691-Q695 HydrophobicContact CE1-CG 3.79Å; Y691-Q695 HydrophobicContact CE2-CG 4.4Å; Y691-Q695 WeakPolarHBondContact O-CG 3.22Å; Y691-Q695 PolarHBondContact O-N 3.29Å; Y691-Q695 PolarHBondContact OH-NE2 3.38Å; Y691-H785 AromaticContact CD2-CE1 3.92Å |
| 692 | Y | 81.3 | Confident | 83.4 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.2 | -44.3 | 177.4 | 172.6 | -102.5 | 0 | 0 | 0 | 112 | P193 E688 E689 I694 Q695 R696 | P193-Y692 HydrophobicContact CG-CE2 3.64Å; E688-Y692 PolarHBondContact O-N 3.31Å; E688-Y692 VanDerWaalsContact O-N 3.1Å; E689-Y692 WeakPolarHBondContact O-CB 3.49Å; E689-Y692 PolarHBondContact O-N 3.12Å; E689-Y692 VanDerWaalsContact O-N 3.13Å; Y692-I694 PolarHBondContact O-N 3.11Å; Y692-Q695 PolarHBondContact O-N 2.77Å; Y692-R696 PolarHBondContact O-N 3.27Å |
| 693 | Q | 87.2 | Confident | 81.7 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.7 | -59.1 | -56.1 | -2.7 | 0 | 0 | 112.4 | E689 F690 Y691 R696 V697 Y712 V716 | E689-Q693 HydrophobicContact CG-CG 4.3Å; E689-Q693 WeakPolarHBondContact O-CG 3.22Å; E689-Q693 PolarHBondContact O-N 2.98Å; F690-Q693 PolarHBondContact O-N 2.79Å; Y691-Q693 VanDerWaalsContact C-N 3.31Å; Y691-Q693 PolarHBondContact O-N 3.2Å; Q693-R696 WeakPolarHBondContact O-CB 3.44Å; Q693-R696 PolarHBondContact O-N 3.33Å; Q693-V697 WeakPolarHBondContact O-CG2 3.3Å; Q693-V697 PolarHBondContact O-N 3.42Å; Q693-Y712 PolarHBondContact OE1-OH 3.1Å; Q693-V716 HydrophobicContact CB-CB 4.36Å; Q693-V716 HydrophobicContact CB-CG1 3.6Å; Q693-V716 HydrophobicContact CB-CG2 3.77Å; Q693-V716 HydrophobicContact CG-CG1 4.26Å; Q693-V716 HydrophobicContact CG-CG2 4.23Å |
| 694 | I | 86.8 | Confident | 80.2 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.9 | -71.7 | 162.6 | 0 | 0 | 0 | 111.3 | F690 Y691 Y692 R696 V697 K698 A781 H785 | F690-I694 HydrophobicContact CD1-CD1 4.15Å; F690-I694 HydrophobicContact CD2-CD1 3.81Å; F690-I694 HydrophobicContact CD2-CG1 3.99Å; F690-I694 HydrophobicContact CE1-CD1 4.09Å; F690-I694 HydrophobicContact CE2-CD1 3.76Å; F690-I694 HydrophobicContact CE2-CG1 3.9Å; F690-I694 HydrophobicContact CG-CD1 4.02Å; F690-I694 HydrophobicContact CZ-CD1 3.9Å; F690-I694 HydrophobicContact CZ-CG1 4.46Å; F690-I694 WeakPolarHBondContact O-CB 3.23Å; F690-I694 WeakPolarHBondContact O-CD1 3.35Å; F690-I694 VanDerWaalsContact O-CG1 3.23Å; F690-I694 WeakPolarHBondContact O-CG1 3.16Å; F690-I694 PolarHBondContact O-N 3.42Å; Y691-I694 WeakPolarHBondContact O-CB 3.3Å; Y691-I694 PolarHBondContact O-N 2.94Å; Y691-I694 VanDerWaalsContact O-N 3.11Å; Y692-I694 PolarHBondContact O-N 3.11Å; I694-R696 VanDerWaalsContact C-N 3.32Å; I694-R696 PolarHBondContact O-N 2.68Å; I694-V697 PolarHBondContact O-N 2.96Å; I694-K698 HydrophobicContact CG2-CD 4.19Å; I694-K698 WeakPolarHBondContact O-CG 3.41Å; I694-K698 PolarHBondContact O-N 2.92Å; I694-A781 HydrophobicContact CD1-CB 3.95Å; I694-A781 WeakPolarHBondContact CD1-O 3.17Å; I694-A781 HydrophobicContact CG1-CB 3.9Å; I694-H785 HydrophobicContact CD1-CB 3.88Å |
| 695 | Q | 78.3 | Confident | 79.3 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 176.3 | -60.6 | -56.8 | -15.7 | 0 | 0 | 111.6 | Y691 Y692 K698 H699 | Y691-Q695 HydrophobicContact CD1-CG 4.11Å; Y691-Q695 HydrophobicContact CE1-CG 3.79Å; Y691-Q695 HydrophobicContact CE2-CG 4.4Å; Y691-Q695 WeakPolarHBondContact O-CG 3.22Å; Y691-Q695 PolarHBondContact O-N 3.29Å; Y691-Q695 PolarHBondContact OH-NE2 3.38Å; Y692-Q695 PolarHBondContact O-N 2.77Å; Q695-K698 PolarHBondContact O-N 2.8Å; Q695-K698 VanDerWaalsContact OE1-CD 3.22Å; Q695-H699 PolarHBondContact O-N 3.49Å |
| 696 | R | 76.4 | Confident | 78.7 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 172.8 | -164.5 | 165.4 | 177.5 | 177.9 | 6.4 | 112.7 | P193 Y692 Q693 I694 H699 L700 Y712 | P193-R696 HydrophobicContact CB-CB 4.44Å; P193-R696 HydrophobicContact CB-CG 4.36Å; P193-R696 HydrophobicContact CG-CB 3.94Å; P193-R696 HydrophobicContact CG-CG 3.82Å; Y692-R696 PolarHBondContact O-N 3.27Å; Q693-R696 WeakPolarHBondContact O-CB 3.44Å; Q693-R696 PolarHBondContact O-N 3.33Å; I694-R696 VanDerWaalsContact C-N 3.32Å; I694-R696 PolarHBondContact O-N 2.68Å; R696-H699 PolarHBondContact O-N 3.43Å; R696-L700 WeakPolarHBondContact O-CG 3.49Å; R696-L700 PolarHBondContact O-N 3.19Å; R696-L700 VanDerWaalsContact O-N 3.15Å; R696-Y712 HydrophobicContact CB-CE1 3.96Å; R696-Y712 WeakPolarHBondContact CD-OH 3.26Å; R696-Y712 HydrophobicContact CG-CD1 4.3Å; R696-Y712 HydrophobicContact CG-CE1 3.78Å; R696-Y712 PolarHBondContact NH1-OH 2.84Å; R696-Y712 VanDerWaalsContact NH1-OH 3.07Å |
| 697 | V | 80.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 172.6 | 176.6 | 0 | 0 | 0 | 0 | 111 | Q693 I694 H699 L700 F701 Y712 L713 I778 | Q693-V697 WeakPolarHBondContact O-CG2 3.3Å; Q693-V697 PolarHBondContact O-N 3.42Å; I694-V697 PolarHBondContact O-N 2.96Å; V697-H699 VanDerWaalsContact C-N 3.35Å; V697-H699 PolarHBondContact O-N 3.36Å; V697-L700 PolarHBondContact O-N 3Å; V697-F701 WeakPolarHBondContact O-CB 3.32Å; V697-F701 PolarHBondContact O-N 3.06Å; V697-Y712 HydrophobicContact CG2-CD1 3.84Å; V697-L713 HydrophobicContact CG1-CB 4.01Å; V697-L713 HydrophobicContact CG1-CD1 4.32Å; V697-L713 HydrophobicContact CG1-CD2 4.43Å; V697-L713 HydrophobicContact CG1-CG 4.48Å; V697-L713 HydrophobicContact CG2-CB 3.97Å; V697-L713 HydrophobicContact CG2-CD1 4.05Å; V697-I778 HydrophobicContact CG1-CD1 3.88Å; V697-I778 HydrophobicContact CG1-CG1 3.78Å |
| 698 | K | 76.3 | Confident | 77.5 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 176.2 | -71.6 | 166.9 | -177.8 | 172.1 | 0 | 111.7 | I694 Q695 F701 I702 I778 N782 | I694-K698 HydrophobicContact CG2-CD 4.19Å; I694-K698 WeakPolarHBondContact O-CG 3.41Å; I694-K698 PolarHBondContact O-N 2.92Å; Q695-K698 PolarHBondContact O-N 2.8Å; Q695-K698 VanDerWaalsContact OE1-CD 3.22Å; K698-F701 WeakPolarHBondContact O-CB 3.2Å; K698-F701 PolarHBondContact O-N 3.11Å; K698-I702 WeakPolarHBondContact O-CD1 3.42Å; K698-I702 VanDerWaalsContact O-CG1 3.27Å; K698-I702 WeakPolarHBondContact O-CG1 3.39Å; K698-I702 PolarHBondContact O-N 2.89Å; K698-I778 HydrophobicContact CG-CG2 4.02Å; K698-N782 PolarHBondContact NZ-OD1 3.5Å |
| 699 | H | 65.4 | Low | 77.3 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 176.6 | -179.7 | 103.2 | 0 | 0 | 0 | 112.4 | Q695 R696 V697 F701 I702 R703 | Q695-H699 PolarHBondContact O-N 3.49Å; R696-H699 PolarHBondContact O-N 3.43Å; V697-H699 VanDerWaalsContact C-N 3.35Å; V697-H699 PolarHBondContact O-N 3.36Å; H699-F701 VanDerWaalsContact C-N 3.31Å; H699-F701 PolarHBondContact O-N 3.24Å; H699-I702 PolarHBondContact O-N 3.29Å; H699-R703 PolarHBondContact NE2-NH1 2.89Å; H699-R703 VanDerWaalsContact NE2-NH1 3.14Å; H699-R703 PolarHBondContact O-N 2.89Å; H699-R703 VanDerWaalsContact O-N 3.09Å |
| 700 | L | 71.3 | Confident | 77.2 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 176.8 | -67.8 | 171.5 | 0 | 0 | 0 | 112.1 | R696 V697 K705 E708 A709 Y712 | R696-L700 WeakPolarHBondContact O-CG 3.49Å; R696-L700 PolarHBondContact O-N 3.19Å; R696-L700 VanDerWaalsContact O-N 3.15Å; V697-L700 PolarHBondContact O-N 3Å; L700-K705 HydrophobicContact CD2-CD 4.42Å; L700-K705 WeakPolarHBondContact O-CB 3.22Å; L700-K705 PolarHBondContact O-N 3.06Å; L700-E708 HydrophobicContact CD1-CB 4.4Å; L700-E708 HydrophobicContact CD2-CB 4.4Å; L700-A709 HydrophobicContact CB-CB 3.74Å; L700-Y712 HydrophobicContact CD1-CG 4.19Å |
| 701 | F | 70.5 | Confident | 76.8 | Confident | 81 Ų | 81 | 66 Ų | 66 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 176.6 | -174 | -106.4 | 0 | 0 | 0 | 112.3 | V697 K698 H699 R703 R704 L774 I778 | V697-F701 WeakPolarHBondContact O-CB 3.32Å; V697-F701 PolarHBondContact O-N 3.06Å; K698-F701 WeakPolarHBondContact O-CB 3.2Å; K698-F701 PolarHBondContact O-N 3.11Å; H699-F701 VanDerWaalsContact C-N 3.31Å; H699-F701 PolarHBondContact O-N 3.24Å; F701-R703 PolarHBondContact O-N 3.18Å; F701-R704 WeakPolarHBondContact O-CA 3.45Å; F701-R704 PolarHBondContact O-N 3.31Å; F701-L774 HydrophobicContact CD2-CD2 3.6Å; F701-L774 HydrophobicContact CD2-CG 3.98Å; F701-L774 HydrophobicContact CE2-CB 4.43Å; F701-L774 HydrophobicContact CE2-CD2 4Å; F701-L774 HydrophobicContact CE2-CG 4.15Å; F701-I778 HydrophobicContact CB-CD1 4.2Å; F701-I778 HydrophobicContact CD1-CD1 4.33Å; F701-I778 HydrophobicContact CD2-CD1 4.36Å; F701-I778 HydrophobicContact CG-CD1 4.05Å |
| 702 | I | 59.8 | Low | 76.8 | Confident | 126 Ų | 126 | 65.2 Ų | 65.2 | 65% | 0.646 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 176.7 | -70.2 | 162.9 | 0 | 0 | 0 | 111 | K698 H699 R704 | K698-I702 WeakPolarHBondContact O-CD1 3.42Å; K698-I702 VanDerWaalsContact O-CG1 3.27Å; K698-I702 WeakPolarHBondContact O-CG1 3.39Å; K698-I702 PolarHBondContact O-N 2.89Å; H699-I702 PolarHBondContact O-N 3.29Å; I702-R704 PolarHBondContact O-N 2.94Å |
| 703 | R | 59.3 | Low | 77.2 | Confident | 98 Ų | 98 | 61.6 Ų | 61.6 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 14.4 | 173.1 | -82.1 | -175.6 | 157.3 | 172 | -13.3 | 114.4 | H699 F701 K705 D1225 | H699-R703 PolarHBondContact NE2-NH1 2.89Å; H699-R703 VanDerWaalsContact NE2-NH1 3.14Å; H699-R703 PolarHBondContact O-N 2.89Å; H699-R703 VanDerWaalsContact O-N 3.09Å; F701-R703 PolarHBondContact O-N 3.18Å; R703-K705 HydrophobicContact CB-CG 4.32Å; R703-K705 PolarHBondContact O-N 3.33Å; R703-D1225 IonicContact CZ-OD2 3.26Å; R703-D1225 IonicContact NH2-OD2 2.68Å; R703-D1225 PolarHBondContact NH2-OD2 2.61Å |
| 704 | R | 64.2 | Low | 77.5 | Confident | 202 Ų | 202 | 62.5 Ų | 62.5 | 76% | 0.762 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 14.9 | -177.8 | -61.1 | -177 | 176.6 | -174.5 | -1.3 | 114.6 | F701 I702 I706 | F701-R704 WeakPolarHBondContact O-CA 3.45Å; F701-R704 PolarHBondContact O-N 3.31Å; I702-R704 PolarHBondContact O-N 2.94Å; R704-I706 PolarHBondContact O-N 2.95Å |
| 705 | K | 72.5 | Confident | 77.6 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | trans | -79 | 57 | 178.3 | -68.8 | -150 | 177.7 | -167.7 | 0 | 111.5 | L700 R703 T707 E708 A709 | L700-K705 HydrophobicContact CD2-CD 4.42Å; L700-K705 WeakPolarHBondContact O-CB 3.22Å; L700-K705 PolarHBondContact O-N 3.06Å; R703-K705 HydrophobicContact CB-CG 4.32Å; R703-K705 PolarHBondContact O-N 3.33Å; K705-T707 PolarHBondContact O-N 2.77Å; K705-T707 VanDerWaalsContact O-N 3.15Å; K705-E708 HydrophobicContact CB-CB 4.27Å; K705-E708 HydrophobicContact CD-CG 4.37Å; K705-E708 WeakPolarHBondContact CD-OE1 3.15Å; K705-E708 WeakPolarHBondContact CD-OE2 3.44Å; K705-E708 IonicContact NZ-OE1 3.84Å; K705-E708 PolarHBondContact NZ-OE1 2.89Å; K705-E708 IonicContact NZ-OE2 2.92Å; K705-E708 PolarHBondContact NZ-OE2 2.75Å; K705-E708 PolarHBondContact O-N 2.94Å; K705-E708 VanDerWaalsContact O-N 3.15Å; K705-A709 WeakPolarHBondContact O-CB 3.24Å; K705-A709 PolarHBondContact O-N 2.87Å | ||
| 706 | I | 78.5 | Confident | 78.2 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -30.3 | -168.8 | -60 | 162.7 | 0 | 0 | 0 | 112 | R704 K710 R771 L774 | R704-I706 PolarHBondContact O-N 2.95Å; I706-K710 WeakPolarHBondContact O-CB 3.47Å; I706-K710 PolarHBondContact O-N 3.19Å; I706-R771 HydrophobicContact CG2-CG 3.72Å; I706-L774 HydrophobicContact CG2-CD2 3.92Å |
| 707 | T | 81.4 | Confident | 79.1 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.2 | -48 | 175.3 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | K705 K711 | K705-T707 PolarHBondContact O-N 2.77Å; K705-T707 VanDerWaalsContact O-N 3.15Å; T707-K711 PolarHBondContact O-N 2.85Å |
| 708 | E | 80.7 | Confident | 79.6 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 173.7 | -71.3 | 174.8 | -148.3 | 0 | 0 | 110.6 | L700 K705 K710 K711 Y712 | L700-E708 HydrophobicContact CD1-CB 4.4Å; L700-E708 HydrophobicContact CD2-CB 4.4Å; K705-E708 HydrophobicContact CB-CB 4.27Å; K705-E708 HydrophobicContact CD-CG 4.37Å; K705-E708 WeakPolarHBondContact CD-OE1 3.15Å; K705-E708 WeakPolarHBondContact CD-OE2 3.44Å; K705-E708 IonicContact NZ-OE1 3.84Å; K705-E708 PolarHBondContact NZ-OE1 2.89Å; K705-E708 IonicContact NZ-OE2 2.92Å; K705-E708 PolarHBondContact NZ-OE2 2.75Å; K705-E708 PolarHBondContact O-N 2.94Å; K705-E708 VanDerWaalsContact O-N 3.15Å; E708-K710 VanDerWaalsContact C-N 3.32Å; E708-K710 PolarHBondContact O-N 2.81Å; E708-K711 PolarHBondContact O-N 2.85Å; E708-Y712 WeakPolarHBondContact O-CB 3.2Å; E708-Y712 PolarHBondContact O-N 3.01Å |
| 709 | A | 81.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L700 K705 L713 L774 | L700-A709 HydrophobicContact CB-CB 3.74Å; K705-A709 WeakPolarHBondContact O-CB 3.24Å; K705-A709 PolarHBondContact O-N 2.87Å; A709-L713 WeakPolarHBondContact O-CB 3.22Å; A709-L713 PolarHBondContact O-N 3.35Å; A709-L774 HydrophobicContact CB-CD2 3.85Å |
| 710 | K | 86.7 | Confident | 81.7 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.8 | -175.7 | -146.7 | 170.7 | -172 | 0 | 111.7 | I706 E708 R714 V769 | I706-K710 WeakPolarHBondContact O-CB 3.47Å; I706-K710 PolarHBondContact O-N 3.19Å; E708-K710 VanDerWaalsContact C-N 3.32Å; E708-K710 PolarHBondContact O-N 2.81Å; K710-R714 WeakPolarHBondContact O-CG 3.39Å; K710-R714 PolarHBondContact O-N 2.87Å; K710-V769 HydrophobicContact CB-CG1 4.45Å; K710-V769 WeakPolarHBondContact CE-O 3.28Å; K710-V769 HydrophobicContact CG-CG1 3.78Å |
| 711 | K | 86.3 | Confident | 82.7 | Confident | 117 Ų | 117 | 57.1 Ų | 57.1 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -52.1 | 174.6 | -78.9 | -170.4 | 172.2 | -167 | 0 | 109.8 | T707 E708 L713 R714 T715 | T707-K711 PolarHBondContact O-N 2.85Å; E708-K711 PolarHBondContact O-N 2.85Å; K711-L713 PolarHBondContact O-N 2.95Å; K711-R714 WeakPolarHBondContact O-CB 3.11Å; K711-R714 PolarHBondContact O-N 3.07Å; K711-R714 VanDerWaalsContact O-N 3.14Å; K711-T715 PolarHBondContact O-N 2.91Å; K711-T715 VanDerWaalsContact O-N 3.13Å; K711-T715 PolarHBondContact O-OG1 2.93Å |
| 712 | Y | 87 | Confident | 83.7 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | -174.7 | -154.9 | -103.8 | 0 | 0 | 0 | 112.6 | Q693 R696 V697 L700 E708 R714 T715 V716 | Q693-Y712 PolarHBondContact OE1-OH 3.1Å; R696-Y712 HydrophobicContact CB-CE1 3.96Å; R696-Y712 WeakPolarHBondContact CD-OH 3.26Å; R696-Y712 HydrophobicContact CG-CD1 4.3Å; R696-Y712 HydrophobicContact CG-CE1 3.78Å; R696-Y712 PolarHBondContact NH1-OH 2.84Å; R696-Y712 VanDerWaalsContact NH1-OH 3.07Å; V697-Y712 HydrophobicContact CG2-CD1 3.84Å; L700-Y712 HydrophobicContact CD1-CG 4.19Å; E708-Y712 WeakPolarHBondContact O-CB 3.2Å; E708-Y712 PolarHBondContact O-N 3.01Å; Y712-R714 VanDerWaalsContact C-N 3.28Å; Y712-R714 PolarHBondContact O-N 2.73Å; Y712-T715 PolarHBondContact O-N 2.8Å; Y712-V716 HydrophobicContact CD1-CG2 3.73Å; Y712-V716 HydrophobicContact CE1-CG2 3.6Å; Y712-V716 WeakPolarHBondContact O-CB 3.45Å; Y712-V716 VanDerWaalsContact O-CG2 3.28Å; Y712-V716 WeakPolarHBondContact O-CG2 3.42Å; Y712-V716 PolarHBondContact O-N 3.21Å |
| 713 | L | 91.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 178.2 | -177.5 | 62 | 0 | 0 | 0 | 112.7 | V697 A709 K711 F717 V769 L774 K777 I778 | V697-L713 HydrophobicContact CG1-CB 4.01Å; V697-L713 HydrophobicContact CG1-CD1 4.32Å; V697-L713 HydrophobicContact CG1-CD2 4.43Å; V697-L713 HydrophobicContact CG1-CG 4.48Å; V697-L713 HydrophobicContact CG2-CB 3.97Å; V697-L713 HydrophobicContact CG2-CD1 4.05Å; A709-L713 WeakPolarHBondContact O-CB 3.22Å; A709-L713 PolarHBondContact O-N 3.35Å; K711-L713 PolarHBondContact O-N 2.95Å; L713-F717 HydrophobicContact CD1-CD2 4.07Å; L713-F717 HydrophobicContact CD1-CE1 4.39Å; L713-F717 HydrophobicContact CD1-CE2 3.72Å; L713-F717 HydrophobicContact CD1-CZ 3.9Å; L713-F717 HydrophobicContact CD2-CE2 3.93Å; L713-F717 HydrophobicContact CD2-CZ 4.48Å; L713-F717 HydrophobicContact CG-CD2 3.92Å; L713-F717 HydrophobicContact CG-CE2 3.62Å; L713-F717 HydrophobicContact CG-CZ 4.28Å; L713-F717 VanDerWaalsContact O-CD2 3.3Å; L713-F717 WeakPolarHBondContact O-CD2 3.37Å; L713-F717 PolarHBondContact O-N 2.91Å; L713-V769 HydrophobicContact CB-CG1 4.39Å; L713-V769 HydrophobicContact CD2-CG1 4.17Å; L713-V769 HydrophobicContact CD2-CG2 3.93Å; L713-V769 HydrophobicContact CG-CG2 4.09Å; L713-L774 HydrophobicContact CB-CD1 4.3Å; L713-L774 HydrophobicContact CD2-CD1 3.54Å; L713-K777 HydrophobicContact CD2-CB 3.86Å; L713-I778 HydrophobicContact CD2-CG1 4.37Å |
| 714 | R | 91.6 | Very high | 86.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 173.8 | -71.3 | 179.9 | 63.6 | 106.8 | -3.8 | 111.3 | K710 K711 Y712 F717 L718 S766 K767 V769 | K710-R714 WeakPolarHBondContact O-CG 3.39Å; K710-R714 PolarHBondContact O-N 2.87Å; K711-R714 WeakPolarHBondContact O-CB 3.11Å; K711-R714 PolarHBondContact O-N 3.07Å; K711-R714 VanDerWaalsContact O-N 3.14Å; Y712-R714 VanDerWaalsContact C-N 3.28Å; Y712-R714 PolarHBondContact O-N 2.73Å; R714-F717 PolarHBondContact O-N 2.84Å; R714-L718 WeakPolarHBondContact O-CG 3.44Å; R714-L718 PolarHBondContact O-N 2.89Å; R714-L718 VanDerWaalsContact O-N 3.14Å; R714-S766 WeakPolarHBondContact CG-O 3.34Å; R714-S766 VanDerWaalsContact CZ-O 3.31Å; R714-S766 PolarHBondContact NH1-O 2.9Å; R714-K767 PolarHBondContact NH1-O 3.16Å; R714-V769 HydrophobicContact CG-CB 3.69Å; R714-V769 HydrophobicContact CG-CG1 4.04Å; R714-V769 HydrophobicContact CG-CG2 4.12Å |
| 715 | T | 89.3 | Confident | 88 | Confident | 52 Ų | 52 | 39.8 Ų | 39.8 | 32% | 0.319 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60 | -47.2 | 176.3 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | L176 K711 Y712 F717 L718 T719 | L176-T715 HydrophobicContact CD2-CG2 4.27Å; K711-T715 PolarHBondContact O-N 2.91Å; K711-T715 VanDerWaalsContact O-N 3.13Å; K711-T715 PolarHBondContact O-OG1 2.93Å; Y712-T715 PolarHBondContact O-N 2.8Å; T715-F717 PolarHBondContact O-N 3.19Å; T715-L718 PolarHBondContact O-N 3.11Å; T715-L718 VanDerWaalsContact O-N 3.16Å; T715-T719 WeakPolarHBondContact O-CB 3.38Å; T715-T719 PolarHBondContact O-N 2.94Å; T715-T719 PolarHBondContact O-OG1 3.2Å |
| 716 | V | 91.2 | Very high | 88.8 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.2 | -50 | 176.8 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | F690 Q693 Y712 L718 T719 M720 | F690-V716 HydrophobicContact CD2-CG1 4.29Å; F690-V716 HydrophobicContact CE2-CG1 4.16Å; Q693-V716 HydrophobicContact CB-CB 4.36Å; Q693-V716 HydrophobicContact CB-CG1 3.6Å; Q693-V716 HydrophobicContact CB-CG2 3.77Å; Q693-V716 HydrophobicContact CG-CG1 4.26Å; Q693-V716 HydrophobicContact CG-CG2 4.23Å; Y712-V716 HydrophobicContact CD1-CG2 3.73Å; Y712-V716 HydrophobicContact CE1-CG2 3.6Å; Y712-V716 WeakPolarHBondContact O-CB 3.45Å; Y712-V716 VanDerWaalsContact O-CG2 3.28Å; Y712-V716 WeakPolarHBondContact O-CG2 3.42Å; Y712-V716 PolarHBondContact O-N 3.21Å; V716-L718 VanDerWaalsContact C-N 3.33Å; V716-L718 PolarHBondContact O-N 2.93Å; V716-T719 PolarHBondContact O-N 2.94Å; V716-M720 HydrophobicContact CG1-CG 4.26Å; V716-M720 VanDerWaalsContact O-CB 3.32Å; V716-M720 WeakPolarHBondContact O-CB 3.37Å; V716-M720 VanDerWaalsContact O-CG 3.26Å; V716-M720 WeakPolarHBondContact O-CG 3.06Å; V716-M720 PolarHBondContact O-N 3.05Å |
| 717 | F | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 178.1 | -79 | -44 | 0 | 0 | 0 | 112.8 | L713 R714 T715 A721 M762 L765 V769 K777 A781 L784 | L713-F717 HydrophobicContact CD1-CD2 4.07Å; L713-F717 HydrophobicContact CD1-CE1 4.39Å; L713-F717 HydrophobicContact CD1-CE2 3.72Å; L713-F717 HydrophobicContact CD1-CZ 3.9Å; L713-F717 HydrophobicContact CD2-CE2 3.93Å; L713-F717 HydrophobicContact CD2-CZ 4.48Å; L713-F717 HydrophobicContact CG-CD2 3.92Å; L713-F717 HydrophobicContact CG-CE2 3.62Å; L713-F717 HydrophobicContact CG-CZ 4.28Å; L713-F717 VanDerWaalsContact O-CD2 3.3Å; L713-F717 WeakPolarHBondContact O-CD2 3.37Å; L713-F717 PolarHBondContact O-N 2.91Å; R714-F717 PolarHBondContact O-N 2.84Å; T715-F717 PolarHBondContact O-N 3.19Å; F717-A721 VanDerWaalsContact O-CB 3.26Å; F717-A721 WeakPolarHBondContact O-CB 3.34Å; F717-A721 PolarHBondContact O-N 3.29Å; F717-M762 HydrophobicContact CB-CB 4.14Å; F717-M762 HydrophobicContact CD1-CB 4.04Å; F717-M762 HydrophobicContact CD1-CG 3.64Å; F717-M762 HydrophobicContact CD1-SD 3.98Å; F717-M762 HydrophobicContact CE1-CG 4.23Å; F717-M762 HydrophobicContact CG-CB 4.42Å; F717-M762 HydrophobicContact CG-CG 4.48Å; F717-L765 HydrophobicContact CD2-CB 4.18Å; F717-L765 HydrophobicContact CE1-CB 4.48Å; F717-L765 HydrophobicContact CE1-CD1 4.17Å; F717-L765 HydrophobicContact CE2-CB 3.87Å; F717-L765 HydrophobicContact CZ-CB 4.03Å; F717-L765 HydrophobicContact CZ-CD1 4.1Å; F717-V769 HydrophobicContact CD2-CG2 3.97Å; F717-V769 HydrophobicContact CE2-CG2 3.8Å; F717-K777 HydrophobicContact CE2-CB 4.45Å; F717-A781 HydrophobicContact CE1-CB 3.84Å; F717-A781 HydrophobicContact CZ-CB 3.99Å; F717-L784 HydrophobicContact CE1-CD1 4.3Å |
| 718 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.7 | -44.1 | 179.6 | -67.7 | 169.9 | 0 | 0 | 0 | 112.4 | I172 E175 L176 R714 T715 V716 A721 K722 I763 | I172-L718 HydrophobicContact CG2-CB 4.39Å; E175-L718 HydrophobicContact CB-CD1 3.87Å; E175-L718 HydrophobicContact CB-CD2 3.78Å; L176-L718 HydrophobicContact CD2-CB 3.57Å; L176-L718 HydrophobicContact CD2-CD1 4.02Å; L176-L718 HydrophobicContact CD2-CG 4.46Å; L176-L718 HydrophobicContact CG-CB 3.91Å; L176-L718 HydrophobicContact CG-CD1 4.2Å; R714-L718 WeakPolarHBondContact O-CG 3.44Å; R714-L718 PolarHBondContact O-N 2.89Å; R714-L718 VanDerWaalsContact O-N 3.14Å; T715-L718 PolarHBondContact O-N 3.11Å; T715-L718 VanDerWaalsContact O-N 3.16Å; V716-L718 VanDerWaalsContact C-N 3.33Å; V716-L718 PolarHBondContact O-N 2.93Å; L718-A721 PolarHBondContact O-N 2.79Å; L718-K722 PolarHBondContact O-N 3.48Å; L718-I763 HydrophobicContact CD2-CG1 4.31Å |
| 719 | T | 90.7 | Very high | 90 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 29% | 0.288 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | T715 V716 K722 K723 | T715-T719 WeakPolarHBondContact O-CB 3.38Å; T715-T719 PolarHBondContact O-N 2.94Å; T715-T719 PolarHBondContact O-OG1 3.2Å; V716-T719 PolarHBondContact O-N 2.94Å; T719-K722 PolarHBondContact O-N 2.9Å; T719-K723 HydrophobicContact CG2-CD 4.48Å; T719-K723 WeakPolarHBondContact O-CG 3.27Å; T719-K723 PolarHBondContact O-N 3.29Å |
| 720 | M | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 176.7 | -66.4 | -50.5 | -51.9 | 0 | 0 | 112 | L686 E689 F690 V716 K722 K723 F724 M762 | L686-M720 HydrophobicContact CD2-CE 4.02Å; E689-M720 HydrophobicContact CG-SD 4.39Å; F690-M720 HydrophobicContact CB-CE 3.91Å; F690-M720 HydrophobicContact CB-SD 4.37Å; F690-M720 HydrophobicContact CD2-CG 3.75Å; F690-M720 HydrophobicContact CE2-CG 4.24Å; F690-M720 HydrophobicContact CG-CE 4.43Å; F690-M720 HydrophobicContact CG-CG 4.3Å; V716-M720 HydrophobicContact CG1-CG 4.26Å; V716-M720 VanDerWaalsContact O-CB 3.32Å; V716-M720 WeakPolarHBondContact O-CB 3.37Å; V716-M720 VanDerWaalsContact O-CG 3.26Å; V716-M720 WeakPolarHBondContact O-CG 3.06Å; V716-M720 PolarHBondContact O-N 3.05Å; M720-K722 PolarHBondContact O-N 2.67Å; M720-K723 PolarHBondContact O-N 2.91Å; M720-K723 HydrophobicContact SD-CD 4.44Å; M720-F724 HydrophobicContact CE-CD2 4.15Å; M720-F724 HydrophobicContact CE-CE2 3.72Å; M720-F724 WeakPolarHBondContact O-CB 3.26Å; M720-F724 WeakPolarHBondContact O-CD2 3.47Å; M720-F724 WeakPolarHBondContact O-CG 3.34Å; M720-F724 PolarHBondContact O-N 2.81Å; M720-M762 HydrophobicContact CB-CE 4.19Å; M720-M762 HydrophobicContact CB-SD 3.79Å |
| 721 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I172 F717 L718 F724 S725 A759 M762 I763 | I172-A721 HydrophobicContact CD1-CB 4.29Å; F717-A721 VanDerWaalsContact O-CB 3.26Å; F717-A721 WeakPolarHBondContact O-CB 3.34Å; F717-A721 PolarHBondContact O-N 3.29Å; L718-A721 PolarHBondContact O-N 2.79Å; A721-F724 PolarHBondContact O-N 3.42Å; A721-S725 PolarHBondContact O-N 3.13Å; A721-S725 VanDerWaalsContact O-N 3.11Å; A721-A759 HydrophobicContact CB-CB 4.09Å; A721-M762 HydrophobicContact CB-CB 4.21Å; A721-I763 HydrophobicContact CB-CD1 4.39Å; A721-I763 HydrophobicContact CB-CG1 3.99Å |
| 722 | K | 91.2 | Very high | 90.5 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 27% | 0.265 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 175.9 | -157.7 | 170.4 | -168.7 | 173 | 0 | 111.8 | I172 D173 L718 T719 M720 F724 S725 L726 | I172-K722 HydrophobicContact CD1-CB 4.25Å; I172-K722 HydrophobicContact CG2-CB 4.21Å; I172-K722 HydrophobicContact CG2-CD 4.46Å; D173-K722 IonicContact OD1-NZ 2.83Å; D173-K722 PolarHBondContact OD1-NZ 2.89Å; D173-K722 IonicContact OD2-NZ 3.36Å; D173-K722 PolarHBondContact OD2-NZ 2.84Å; L718-K722 PolarHBondContact O-N 3.48Å; T719-K722 PolarHBondContact O-N 2.9Å; M720-K722 PolarHBondContact O-N 2.67Å; K722-F724 VanDerWaalsContact C-N 3.33Å; K722-F724 PolarHBondContact O-N 3.43Å; K722-S725 PolarHBondContact O-N 2.82Å; K722-S725 VanDerWaalsContact O-N 3.15Å; K722-L726 PolarHBondContact O-N 2.82Å; K722-L726 VanDerWaalsContact O-N 3.09Å |
| 723 | K | 92.9 | Very high | 90.3 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.2 | -36.1 | 176.6 | -72 | -176.5 | 170.8 | -174 | 0 | 112.8 | L686 E689 T719 M720 S725 L726 A727 | L686-K723 HydrophobicContact CD2-CB 3.83Å; E689-K723 IonicContact OE1-NZ 3.76Å; E689-K723 PolarHBondContact OE1-NZ 3.08Å; E689-K723 IonicContact OE2-NZ 3.2Å; E689-K723 PolarHBondContact OE2-NZ 2.78Å; T719-K723 HydrophobicContact CG2-CD 4.48Å; T719-K723 WeakPolarHBondContact O-CG 3.27Å; T719-K723 PolarHBondContact O-N 3.29Å; M720-K723 PolarHBondContact O-N 2.91Å; M720-K723 HydrophobicContact SD-CD 4.44Å; K723-S725 VanDerWaalsContact C-N 3.33Å; K723-S725 PolarHBondContact O-N 2.68Å; K723-L726 PolarHBondContact O-N 2.93Å; K723-A727 VanDerWaalsContact O-CB 3.29Å; K723-A727 WeakPolarHBondContact O-CB 3.31Å; K723-A727 PolarHBondContact O-N 2.79Å |
| 724 | F | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -29.2 | 174.5 | -85.4 | -139.7 | 0 | 0 | 0 | 112.8 | L686 M720 A721 K722 Q728 L755 M758 A759 M762 L788 | L686-F724 HydrophobicContact CB-CE2 4.41Å; L686-F724 HydrophobicContact CD1-CD2 4.09Å; L686-F724 HydrophobicContact CD1-CE2 4.25Å; L686-F724 HydrophobicContact CD2-CD2 4.21Å; L686-F724 HydrophobicContact CD2-CE2 4.41Å; M720-F724 HydrophobicContact CE-CD2 4.15Å; M720-F724 HydrophobicContact CE-CE2 3.72Å; M720-F724 WeakPolarHBondContact O-CB 3.26Å; M720-F724 WeakPolarHBondContact O-CD2 3.47Å; M720-F724 WeakPolarHBondContact O-CG 3.34Å; M720-F724 PolarHBondContact O-N 2.81Å; A721-F724 PolarHBondContact O-N 3.42Å; K722-F724 VanDerWaalsContact C-N 3.33Å; K722-F724 PolarHBondContact O-N 3.43Å; F724-Q728 WeakPolarHBondContact O-CG 3.33Å; F724-Q728 PolarHBondContact O-N 2.59Å; F724-Q728 PolarHBondContact O-NE2 2.74Å; F724-L755 HydrophobicContact CB-CD2 4.43Å; F724-L755 HydrophobicContact CD1-CB 4.37Å; F724-L755 HydrophobicContact CD1-CD2 3.45Å; F724-L755 VanDerWaalsContact CD1-CD2 3.45Å; F724-L755 HydrophobicContact CD2-CD2 4.43Å; F724-L755 HydrophobicContact CE1-CD2 3.7Å; F724-L755 HydrophobicContact CG-CD2 3.86Å; F724-L755 HydrophobicContact CZ-CD2 4.32Å; F724-M758 HydrophobicContact CD1-CB 3.81Å; F724-M758 HydrophobicContact CE1-CB 3.67Å; F724-M758 HydrophobicContact CE1-CE 3.89Å; F724-M758 HydrophobicContact CE1-CG 4.46Å; F724-M758 HydrophobicContact CE1-SD 4.08Å; F724-M758 HydrophobicContact CZ-CE 4.42Å; F724-A759 HydrophobicContact CB-CB 4.02Å; F724-M762 HydrophobicContact CD1-CE 3.52Å; F724-M762 HydrophobicContact CD2-CE 4.09Å; F724-M762 HydrophobicContact CE1-CE 3.45Å; F724-M762 VanDerWaalsContact CE1-CE 3.45Å; F724-M762 HydrophobicContact CE2-CE 4.01Å; F724-M762 HydrophobicContact CG-CE 3.85Å; F724-M762 HydrophobicContact CZ-CE 3.68Å; F724-L788 HydrophobicContact CE2-CD2 4.08Å; F724-L788 HydrophobicContact CZ-CD1 4.4Å; F724-L788 HydrophobicContact CZ-CD2 3.8Å |
| 725 | S | 87.6 | Confident | 89.4 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -52.7 | 170.1 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | F168 A721 K722 K723 A727 Q728 E729 | F168-S725 WeakPolarHBondContact CE1-OG 3.47Å; A721-S725 PolarHBondContact O-N 3.13Å; A721-S725 VanDerWaalsContact O-N 3.11Å; K722-S725 PolarHBondContact O-N 2.82Å; K722-S725 VanDerWaalsContact O-N 3.15Å; K723-S725 VanDerWaalsContact C-N 3.33Å; K723-S725 PolarHBondContact O-N 2.68Å; S725-A727 PolarHBondContact O-N 2.79Å; S725-Q728 WeakPolarHBondContact O-CA 3.4Å; S725-Q728 VanDerWaalsContact O-CB 3.3Å; S725-Q728 WeakPolarHBondContact O-CB 3.33Å; S725-Q728 PolarHBondContact O-N 3.33Å; S725-E729 PolarHBondContact O-N 3.25Å |
| 726 | L | 88.8 | Confident | 88.9 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 45% | 0.45 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.1 | -34.1 | 178.2 | -64.2 | 170.2 | 0 | 0 | 0 | 112.7 | K722 K723 Q728 E729 S730 | K722-L726 PolarHBondContact O-N 2.82Å; K722-L726 VanDerWaalsContact O-N 3.09Å; K723-L726 PolarHBondContact O-N 2.93Å; L726-Q728 PolarHBondContact O-N 2.91Å; L726-E729 PolarHBondContact O-N 2.94Å; L726-S730 PolarHBondContact O-N 2.84Å; L726-S730 PolarHBondContact O-OG 3.44Å |
| 727 | A | 91.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -32 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I682 L686 K723 S725 E729 S730 I731 L755 | I682-A727 HydrophobicContact CG2-CB 3.77Å; L686-A727 HydrophobicContact CD1-CB 3.68Å; K723-A727 VanDerWaalsContact O-CB 3.29Å; K723-A727 WeakPolarHBondContact O-CB 3.31Å; K723-A727 PolarHBondContact O-N 2.79Å; S725-A727 PolarHBondContact O-N 2.79Å; A727-E729 VanDerWaalsContact C-N 3.28Å; A727-E729 PolarHBondContact O-N 3.37Å; A727-S730 PolarHBondContact O-N 3.23Å; A727-I731 WeakPolarHBondContact O-CB 3.41Å; A727-I731 WeakPolarHBondContact O-CD1 3.3Å; A727-I731 WeakPolarHBondContact O-CG1 3.33Å; A727-I731 PolarHBondContact O-N 3.25Å; A727-L755 HydrophobicContact CB-CD1 4.18Å |
| 728 | Q | 89.3 | Confident | 86.9 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -36.2 | 174.5 | -69.3 | 159.1 | 59.3 | 0 | 0 | 111.8 | F724 S725 L726 R732 R752 L755 R756 | F724-Q728 WeakPolarHBondContact O-CG 3.33Å; F724-Q728 PolarHBondContact O-N 2.59Å; F724-Q728 PolarHBondContact O-NE2 2.74Å; S725-Q728 WeakPolarHBondContact O-CA 3.4Å; S725-Q728 VanDerWaalsContact O-CB 3.3Å; S725-Q728 WeakPolarHBondContact O-CB 3.33Å; S725-Q728 PolarHBondContact O-N 3.33Å; L726-Q728 PolarHBondContact O-N 2.91Å; Q728-R732 WeakPolarHBondContact O-CB 3.3Å; Q728-R732 PolarHBondContact O-N 3.09Å; Q728-R732 VanDerWaalsContact O-N 3.11Å; Q728-R752 HydrophobicContact CB-CB 4.46Å; Q728-R752 HydrophobicContact CB-CG 4.2Å; Q728-R752 HydrophobicContact CG-CB 4.22Å; Q728-R752 HydrophobicContact CG-CG 4.33Å; Q728-R752 VanDerWaalsContact O-CD 3.22Å; Q728-R752 WeakPolarHBondContact O-CD 3.32Å; Q728-L755 HydrophobicContact CG-CB 3.84Å; Q728-L755 HydrophobicContact CG-CD1 4.23Å; Q728-R756 VanDerWaalsContact OE1-CB 3.32Å |
| 729 | E | 85.3 | Confident | 85.6 | Confident | 103 Ų | 103 | 48.4 Ų | 48.4 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 175.6 | -65.5 | 164.2 | -141.4 | 0 | 0 | 111.1 | S725 L726 A727 I731 R732 S733 | S725-E729 PolarHBondContact O-N 3.25Å; L726-E729 PolarHBondContact O-N 2.94Å; A727-E729 VanDerWaalsContact C-N 3.28Å; A727-E729 PolarHBondContact O-N 3.37Å; E729-I731 VanDerWaalsContact C-N 3.31Å; E729-I731 PolarHBondContact O-N 2.85Å; E729-R732 CarbonylContact O-C 3.55Å; E729-R732 VanDerWaalsContact O-CA 3.31Å; E729-R732 WeakPolarHBondContact O-CA 3.17Å; E729-R732 VanDerWaalsContact O-CB 3.22Å; E729-R732 WeakPolarHBondContact O-CB 3.41Å; E729-R732 PolarHBondContact O-N 3.05Å; E729-S733 PolarHBondContact O-N 2.88Å; E729-S733 PolarHBondContact O-OG 2.59Å |
| 730 | S | 88.1 | Confident | 84.7 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L726 A727 R732 S733 C734 | L726-S730 PolarHBondContact O-N 2.84Å; L726-S730 PolarHBondContact O-OG 3.44Å; A727-S730 PolarHBondContact O-N 3.23Å; S730-R732 PolarHBondContact O-N 3.27Å; S730-S733 WeakPolarHBondContact CA-OG 3.46Å; S730-S733 PolarHBondContact O-N 3.34Å; S730-S733 PolarHBondContact O-OG 2.96Å; S730-C734 PolarHBondContact O-N 2.81Å; S730-C734 VanDerWaalsContact O-N 3.14Å; S730-C734 PolarHBondContact O-SG 2.85Å |
| 731 | I | 90.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.4 | -21.2 | 174.8 | -66.8 | 164.9 | 0 | 0 | 0 | 111.7 | I679 I682 L683 A727 E729 V751 R752 L755 | I679-I731 HydrophobicContact CD1-CG2 3.96Å; I679-I731 HydrophobicContact CG1-CG1 4.3Å; I679-I731 HydrophobicContact CG1-CG2 4.04Å; I679-I731 HydrophobicContact CG2-CD1 4.31Å; I679-I731 HydrophobicContact CG2-CG1 4.21Å; I679-I731 HydrophobicContact CG2-CG2 4.25Å; I682-I731 HydrophobicContact CD1-CG1 3.85Å; I682-I731 HydrophobicContact CG2-CD1 4.3Å; I682-I731 HydrophobicContact CG2-CG1 4.42Å; L683-I731 HydrophobicContact CD2-CD1 4.36Å; A727-I731 WeakPolarHBondContact O-CB 3.41Å; A727-I731 WeakPolarHBondContact O-CD1 3.3Å; A727-I731 WeakPolarHBondContact O-CG1 3.33Å; A727-I731 PolarHBondContact O-N 3.25Å; E729-I731 VanDerWaalsContact C-N 3.31Å; E729-I731 PolarHBondContact O-N 2.85Å; I731-V751 HydrophobicContact CD1-CG1 3.67Å; I731-R752 HydrophobicContact CB-CG 4.02Å; I731-R752 HydrophobicContact CG2-CG 3.63Å; I731-L755 HydrophobicContact CD1-CD1 3.73Å |
| 732 | R | 85.6 | Confident | 83.9 | Confident | 158 Ų | 158 | 54.9 Ų | 54.9 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -83.6 | -24.7 | 174.3 | -158.2 | -178.8 | -164.1 | 164.7 | 1.1 | 112.3 | Q728 E729 S730 R735 | Q728-R732 WeakPolarHBondContact O-CB 3.3Å; Q728-R732 PolarHBondContact O-N 3.09Å; Q728-R732 VanDerWaalsContact O-N 3.11Å; E729-R732 CarbonylContact O-C 3.55Å; E729-R732 VanDerWaalsContact O-CA 3.31Å; E729-R732 WeakPolarHBondContact O-CA 3.17Å; E729-R732 VanDerWaalsContact O-CB 3.22Å; E729-R732 WeakPolarHBondContact O-CB 3.41Å; E729-R732 PolarHBondContact O-N 3.05Å; S730-R732 PolarHBondContact O-N 3.27Å; R732-R735 PolarHBondContact O-NH1 3.29Å; R732-R735 PolarHBondContact O-NH2 2.82Å |
| 733 | S | 83.4 | Confident | 83.8 | Confident | 72 Ų | 72 | 52 Ų | 52 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -85.7 | -20.7 | 173.2 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | E729 S730 R735 | E729-S733 PolarHBondContact O-N 2.88Å; E729-S733 PolarHBondContact O-OG 2.59Å; S730-S733 WeakPolarHBondContact CA-OG 3.46Å; S730-S733 PolarHBondContact O-N 3.34Å; S730-S733 PolarHBondContact O-OG 2.96Å; S733-R735 WeakPolarHBondContact O-CG 3.25Å; S733-R735 PolarHBondContact O-N 2.92Å |
| 734 | C | 85.7 | Confident | 83.6 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | trans | -49.6 | 120.5 | 172.1 | -76.3 | 0 | 0 | 0 | 0 | 111.9 | I679 S730 | I679-C734 HydrophobicContact CD1-CB 4.35Å; I679-C734 HydrophobicContact CG1-CB 4.17Å; S730-C734 PolarHBondContact O-N 2.81Å; S730-C734 VanDerWaalsContact O-N 3.14Å; S730-C734 PolarHBondContact O-SG 2.85Å | ||
| 735 | R | 77.7 | Confident | 83.3 | Confident | 162 Ų | 162 | 55.7 Ų | 55.7 | 61% | 0.611 | 28% | 0.282 | S | S | * | . | trans | -144.1 | 137.4 | -179.7 | -69.3 | -68.4 | 178.4 | -73 | -13.3 | 111.2 | R674 R732 S733 | R674-R735 PolarHBondContact NH1-O 2.85Å; R674-R735 PolarHBondContact NH2-O 2.89Å; R732-R735 PolarHBondContact O-NH1 3.29Å; R732-R735 PolarHBondContact O-NH2 2.82Å; S733-R735 WeakPolarHBondContact O-CG 3.25Å; S733-R735 PolarHBondContact O-N 2.92Å | ||
| 736 | D | 78.8 | Confident | 83.2 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | trans | -132.7 | -169.7 | 174.7 | 53.9 | 26.2 | 0 | 0 | 0 | 111.1 | D672 H673 R674 S675 | D672-D736 WeakPolarHBondContact O-CB 3.29Å; D672-D736 WeakPolarHBondContact OD1-CB 3.11Å; H673-D736 VanDerWaalsContact C-OD2 3.29Å; R674-D736 HydrophobicContact CB-CB 4.13Å; R674-D736 PolarHBondContact N-OD2 3.35Å; S675-D736 WeakPolarHBondContact CB-OD2 3.48Å; S675-D736 PolarHBondContact N-OD2 3.41Å; S675-D736 PolarHBondContact OG-OD2 2.81Å | ||
| 737 | T | 75.8 | Confident | 83.2 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -102.9 | -2.1 | 179.3 | 76.1 | 0 | 0 | 0 | 0 | 114 | K569 D672 | K569-T737 WeakPolarHBondContact CB-OG1 3.31Å; K569-T737 PolarHBondContact N-OG1 3.21Å; D672-T737 HydrophobicContact CB-CG2 4.1Å; D672-T737 WeakPolarHBondContact CB-OG1 3.38Å; D672-T737 PolarHBondContact O-N 3.14Å; D672-T737 PolarHBondContact OD2-N 2.75Å |
| 738 | A | 68 | Low | 83 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -63 | 139 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A567 D672 T740 | A567-A738 WeakPolarHBondContact O-CB 3.47Å; D672-A738 PolarHBondContact O-N 2.94Å; A738-T740 PolarHBondContact O-N 2.75Å |
| 739 | S | 66.5 | Low | 82.9 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | trans | -66.5 | 102.1 | 164 | 52.5 | 0 | 0 | 0 | 0 | 107.9 | V566 T741 | V566-S739 PolarHBondContact O-OG 2.61Å; S739-T741 PolarHBondContact O-N 3.02Å | ||
| 740 | T | 71.5 | Confident | 83 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 56% | 0.564 | 27% | 0.266 | S | S | * | . | trans | -47.9 | 113 | -174.2 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | A738 | A738-T740 PolarHBondContact O-N 2.75Š| ||
| 741 | T | 86.2 | Confident | 83.1 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | trans | -67.5 | 163.5 | -179.8 | 66.7 | 0 | 0 | 0 | 0 | 109.8 | S739 L743 D744 R745 Q796 | S739-T741 PolarHBondContact O-N 3.02Å; T741-L743 PolarHBondContact O-N 2.91Å; T741-D744 WeakPolarHBondContact CB-OD2 3.1Å; T741-D744 WeakPolarHBondContact CG2-OD2 3.37Å; T741-D744 PolarHBondContact N-OD2 3.37Å; T741-D744 PolarHBondContact O-N 2.56Å; T741-D744 PolarHBondContact OG1-N 3.21Å; T741-D744 PolarHBondContact OG1-OD2 2.89Å; T741-R745 WeakPolarHBondContact O-CB 3.3Å; T741-R745 PolarHBondContact O-N 3.43Å; T741-Q796 PolarHBondContact OG1-NE2 2.79Å | ||
| 742 | L | 84.4 | Confident | 83.1 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 41% | 0.414 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.4 | -38.1 | 175.3 | -65.7 | 176.2 | 0 | 0 | 0 | 111.5 | I489 R745 E746 | I489-L742 HydrophobicContact CD1-CD1 3.75Å; L742-R745 PolarHBondContact O-N 2.93Å; L742-E746 WeakPolarHBondContact O-CB 3.3Å; L742-E746 PolarHBondContact O-N 2.84Å |
| 743 | L | 88.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.6 | -40.5 | 177.5 | -177.3 | 60 | 0 | 0 | 0 | 113 | I485 H496 F497 T741 R745 E746 Y747 P795 Q796 | I485-L743 HydrophobicContact CB-CD2 4.09Å; I485-L743 HydrophobicContact CG2-CD2 3.88Å; H496-L743 VanDerWaalsContact O-CD2 3.32Å; H496-L743 WeakPolarHBondContact O-CD2 3.33Å; F497-L743 HydrophobicContact CD2-CD2 4.19Å; T741-L743 PolarHBondContact O-N 2.91Å; L743-R745 VanDerWaalsContact C-N 3.3Å; L743-R745 PolarHBondContact O-N 3.13Å; L743-E746 PolarHBondContact O-N 3.46Å; L743-Y747 WeakPolarHBondContact O-CB 3.26Å; L743-Y747 PolarHBondContact O-N 3.44Å; L743-P795 HydrophobicContact CD1-CG 4.05Å; L743-P795 HydrophobicContact CD2-CB 4.07Å; L743-P795 HydrophobicContact CD2-CG 3.86Å; L743-P795 HydrophobicContact CG-CG 3.91Å; L743-Q796 HydrophobicContact CD2-CG 3.6Å; L743-Q796 HydrophobicContact CG-CG 4.29Å |
| 744 | D | 88.7 | Confident | 83.4 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 173.1 | -62.5 | -51.8 | 0 | 0 | 0 | 110.7 | R676 T741 E746 Y747 S748 Q796 | R676-D744 IonicContact CZ-OD1 3.34Å; R676-D744 IonicContact CZ-OD2 2.59Å; R676-D744 IonicContact NE-OD1 3.92Å; R676-D744 PolarHBondContact NE-OD1 2.88Å; R676-D744 IonicContact NE-OD2 3.27Å; R676-D744 IonicContact NH2-OD1 3.85Å; R676-D744 PolarHBondContact NH2-OD1 2.8Å; R676-D744 IonicContact NH2-OD2 3.62Å; R676-D744 PolarHBondContact NH2-OD2 3.06Å; T741-D744 WeakPolarHBondContact CB-OD2 3.1Å; T741-D744 WeakPolarHBondContact CG2-OD2 3.37Å; T741-D744 PolarHBondContact N-OD2 3.37Å; T741-D744 PolarHBondContact O-N 2.56Å; T741-D744 PolarHBondContact OG1-N 3.21Å; T741-D744 PolarHBondContact OG1-OD2 2.89Å; D744-E746 VanDerWaalsContact C-N 3.3Å; D744-E746 PolarHBondContact O-N 2.66Å; D744-Y747 PolarHBondContact O-N 3.39Å; D744-S748 PolarHBondContact O-N 3.41Å; D744-Q796 PolarHBondContact OD1-NE2 3.02Å; D744-Q796 PolarHBondContact OD2-NE2 2.92Å; D744-Q796 VanDerWaalsContact OD2-NE2 3.15Å |
| 745 | R | 86 | Confident | 83.7 | Confident | 135 Ų | 135 | 48 Ų | 48 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.8 | -32.5 | 177.6 | -165.8 | -177.8 | 71.6 | 159.1 | 2.7 | 111.9 | T741 L742 L743 R749 | T741-R745 WeakPolarHBondContact O-CB 3.3Å; T741-R745 PolarHBondContact O-N 3.43Å; L742-R745 PolarHBondContact O-N 2.93Å; L743-R745 VanDerWaalsContact C-N 3.3Å; L743-R745 PolarHBondContact O-N 3.13Å; R745-R749 WeakPolarHBondContact O-CG 3.24Å; R745-R749 PolarHBondContact O-N 2.92Å; R745-R749 PolarHBondContact O-NE 3.23Å; R745-R749 PolarHBondContact O-NH2 3.33Å |
| 746 | E | 85.7 | Confident | 84.2 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.4 | -47.7 | 172.7 | -164.3 | 63.3 | -103.2 | 0 | 0 | 111.9 | H488 L742 L743 D744 S748 R749 R750 | H488-E746 PolarHBondContact N-OE2 2.87Å; L742-E746 WeakPolarHBondContact O-CB 3.3Å; L742-E746 PolarHBondContact O-N 2.84Å; L743-E746 PolarHBondContact O-N 3.46Å; D744-E746 VanDerWaalsContact C-N 3.3Å; D744-E746 PolarHBondContact O-N 2.66Å; E746-S748 VanDerWaalsContact C-N 3.35Å; E746-S748 PolarHBondContact O-N 2.91Å; E746-R749 VanDerWaalsContact CD-CZ 3.43Å; E746-R749 CarbonylContact O-C 3.52Å; E746-R749 WeakPolarHBondContact O-CA 3.48Å; E746-R749 PolarHBondContact O-N 2.84Å; E746-R749 IonicContact OE1-CZ 2.66Å; E746-R749 VanDerWaalsContact OE1-CZ 3.3Å; E746-R749 IonicContact OE1-NH1 2.67Å; E746-R749 PolarHBondContact OE1-NH1 3.03Å; E746-R749 IonicContact OE1-NH2 3.52Å; E746-R749 IonicContact OE2-CZ 3.78Å; E746-R749 IonicContact OE2-NH1 3.97Å; E746-R749 PolarHBondContact OE2-NH1 2.76Å; E746-R749 IonicContact OE2-NH2 2.83Å; E746-R749 PolarHBondContact OE2-NH2 3.34Å; E746-R750 VanDerWaalsContact O-CB 3.29Å; E746-R750 WeakPolarHBondContact O-CB 3.47Å; E746-R750 PolarHBondContact O-N 3.2Å |
| 747 | Y | 89.1 | Confident | 84.7 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.3 | -49.6 | 176.9 | 177.1 | -115.6 | 0 | 0 | 0 | 111.6 | I679 L743 D744 R749 R750 V751 L791 N793 C794 | I679-Y747 HydrophobicContact CB-CE1 4.11Å; I679-Y747 HydrophobicContact CG2-CD1 4.49Å; I679-Y747 HydrophobicContact CG2-CE1 3.62Å; L743-Y747 WeakPolarHBondContact O-CB 3.26Å; L743-Y747 PolarHBondContact O-N 3.44Å; D744-Y747 PolarHBondContact O-N 3.39Å; Y747-R749 VanDerWaalsContact C-N 3.33Å; Y747-R749 PolarHBondContact O-N 3.04Å; Y747-R750 PolarHBondContact O-N 3.27Å; Y747-V751 HydrophobicContact CD2-CG2 3.96Å; Y747-V751 HydrophobicContact CE2-CG2 3.64Å; Y747-V751 WeakPolarHBondContact O-CB 3.42Å; Y747-V751 VanDerWaalsContact O-CG2 3.28Å; Y747-V751 WeakPolarHBondContact O-CG2 3.48Å; Y747-V751 PolarHBondContact O-N 2.89Å; Y747-L791 WeakPolarHBondContact CE2-O 3.46Å; Y747-L791 PolarHBondContact OH-O 3.07Å; Y747-N793 WeakPolarHBondContact CE2-O 3.33Å; Y747-C794 HydrophobicContact CE1-CB 4.16Å |
| 748 | S | 88.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -37.4 | 174.5 | 175.6 | 0 | 0 | 0 | 0 | 113.4 | D744 E746 R752 | D744-S748 PolarHBondContact O-N 3.41Å; E746-S748 VanDerWaalsContact C-N 3.35Å; E746-S748 PolarHBondContact O-N 2.91Å; S748-R752 WeakPolarHBondContact O-CB 3.28Å; S748-R752 WeakPolarHBondContact O-CG 3.19Å; S748-R752 PolarHBondContact O-N 2.79Å; S748-R752 PolarHBondContact O-NE 2.84Å; S748-R752 PolarHBondContact O-NH2 3.4Å; S748-R752 PolarHBondContact OG-NE 2.85Å; S748-R752 PolarHBondContact OG-NH2 2.96Å |
| 749 | R | 86.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 30% | 0.302 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.3 | -48.9 | 176.8 | -80.5 | 177.8 | -70.3 | 126 | 1.9 | 111.5 | R745 E746 Y747 R752 R753 | R745-R749 WeakPolarHBondContact O-CG 3.24Å; R745-R749 PolarHBondContact O-N 2.92Å; R745-R749 PolarHBondContact O-NE 3.23Å; R745-R749 PolarHBondContact O-NH2 3.33Å; E746-R749 VanDerWaalsContact CD-CZ 3.43Å; E746-R749 CarbonylContact O-C 3.52Å; E746-R749 WeakPolarHBondContact O-CA 3.48Å; E746-R749 PolarHBondContact O-N 2.84Å; E746-R749 IonicContact OE1-CZ 2.66Å; E746-R749 VanDerWaalsContact OE1-CZ 3.3Å; E746-R749 IonicContact OE1-NH1 2.67Å; E746-R749 PolarHBondContact OE1-NH1 3.03Å; E746-R749 IonicContact OE1-NH2 3.52Å; E746-R749 IonicContact OE2-CZ 3.78Å; E746-R749 IonicContact OE2-NH1 3.97Å; E746-R749 PolarHBondContact OE2-NH1 2.76Å; E746-R749 IonicContact OE2-NH2 2.83Å; E746-R749 PolarHBondContact OE2-NH2 3.34Å; Y747-R749 VanDerWaalsContact C-N 3.33Å; Y747-R749 PolarHBondContact O-N 3.04Å; R749-R752 PolarHBondContact O-N 2.85Å; R749-R753 WeakPolarHBondContact O-CB 3.38Å; R749-R753 PolarHBondContact O-N 2.97Å |
| 750 | R | 86.5 | Confident | 87.5 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54 | -53.2 | 177.1 | -175.3 | 170.4 | 78.8 | -159.7 | 10.7 | 111.2 | D484 E746 Y747 R753 D754 | D484-R750 PolarHBondContact O-NH1 2.87Å; E746-R750 VanDerWaalsContact O-CB 3.29Å; E746-R750 WeakPolarHBondContact O-CB 3.47Å; E746-R750 PolarHBondContact O-N 3.2Å; Y747-R750 PolarHBondContact O-N 3.27Å; R750-R753 PolarHBondContact O-N 2.78Å; R750-D754 WeakPolarHBondContact O-CB 3.14Å; R750-D754 PolarHBondContact O-N 2.97Å |
| 751 | V | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I679 L683 I731 Y747 R753 D754 L755 L791 | I679-V751 HydrophobicContact CG2-CG1 4.49Å; L683-V751 HydrophobicContact CD1-CG1 3.81Å; L683-V751 HydrophobicContact CD1-CG2 4.21Å; L683-V751 HydrophobicContact CD2-CG1 3.74Å; L683-V751 HydrophobicContact CG-CG1 4.3Å; I731-V751 HydrophobicContact CD1-CG1 3.67Å; Y747-V751 HydrophobicContact CD2-CG2 3.96Å; Y747-V751 HydrophobicContact CE2-CG2 3.64Å; Y747-V751 WeakPolarHBondContact O-CB 3.42Å; Y747-V751 VanDerWaalsContact O-CG2 3.28Å; Y747-V751 WeakPolarHBondContact O-CG2 3.48Å; Y747-V751 PolarHBondContact O-N 2.89Å; V751-R753 PolarHBondContact O-N 2.98Å; V751-D754 PolarHBondContact O-N 2.98Å; V751-L755 HydrophobicContact CG1-CD1 3.97Å; V751-L755 HydrophobicContact CG1-CG 4.31Å; V751-L755 WeakPolarHBondContact O-CB 3.09Å; V751-L755 VanDerWaalsContact O-CG 3.3Å; V751-L755 WeakPolarHBondContact O-CG 3.25Å; V751-L755 PolarHBondContact O-N 3.43Å; V751-L791 HydrophobicContact CG2-CB 4.47Å; V751-L791 HydrophobicContact CG2-CD2 4.27Å |
| 752 | R | 90.9 | Very high | 88.7 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 22% | 0.223 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -41 | -179.2 | -71.9 | -178.9 | -71 | 103.2 | 0.3 | 112.8 | Q728 I731 S748 R749 R756 | Q728-R752 HydrophobicContact CB-CB 4.46Å; Q728-R752 HydrophobicContact CB-CG 4.2Å; Q728-R752 HydrophobicContact CG-CB 4.22Å; Q728-R752 HydrophobicContact CG-CG 4.33Å; Q728-R752 VanDerWaalsContact O-CD 3.22Å; Q728-R752 WeakPolarHBondContact O-CD 3.32Å; I731-R752 HydrophobicContact CB-CG 4.02Å; I731-R752 HydrophobicContact CG2-CG 3.63Å; S748-R752 WeakPolarHBondContact O-CB 3.28Å; S748-R752 WeakPolarHBondContact O-CG 3.19Å; S748-R752 PolarHBondContact O-N 2.79Å; S748-R752 PolarHBondContact O-NE 2.84Å; S748-R752 PolarHBondContact O-NH2 3.4Å; S748-R752 PolarHBondContact OG-NE 2.85Å; S748-R752 PolarHBondContact OG-NH2 2.96Å; R749-R752 PolarHBondContact O-N 2.85Å; R752-R756 PolarHBondContact O-N 2.91Å |
| 753 | R | 87.1 | Confident | 88.8 | Confident | 90 Ų | 90 | 37.9 Ų | 37.9 | 34% | 0.34 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 175.8 | -175.2 | -161.5 | 75.3 | 149.5 | 6.3 | 111.2 | Y134 P135 R749 R750 V751 R756 R757 | Y134-R753 PolarHBondContact O-NH1 2.88Å; P135-R753 PolarHBondContact O-NH2 3.48Å; R749-R753 WeakPolarHBondContact O-CB 3.38Å; R749-R753 PolarHBondContact O-N 2.97Å; R750-R753 PolarHBondContact O-N 2.78Å; V751-R753 PolarHBondContact O-N 2.98Å; R753-R756 PolarHBondContact O-N 2.76Å; R753-R757 WeakPolarHBondContact O-CB 3.48Å; R753-R757 PolarHBondContact O-N 3.34Å |
| 754 | D | 88.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | -178.1 | -75.1 | 24 | 0 | 0 | 0 | 110.9 | R750 V751 R756 R757 M758 R787 L791 | R750-D754 WeakPolarHBondContact O-CB 3.14Å; R750-D754 PolarHBondContact O-N 2.97Å; V751-D754 PolarHBondContact O-N 2.98Å; D754-R756 VanDerWaalsContact C-N 3.35Å; D754-R756 PolarHBondContact O-N 2.88Å; D754-R757 PolarHBondContact O-N 2.84Å; D754-M758 WeakPolarHBondContact O-CB 3.18Å; D754-M758 WeakPolarHBondContact O-CG 3.44Å; D754-M758 PolarHBondContact O-N 3.24Å; D754-R787 IonicContact OD2-CZ 2.67Å; D754-R787 IonicContact OD2-NE 3.66Å; D754-R787 PolarHBondContact OD2-NE 3.46Å; D754-R787 IonicContact OD2-NH2 3.77Å; D754-R787 PolarHBondContact OD2-NH2 3.43Å; D754-L791 HydrophobicContact CB-CD1 3.85Å; D754-L791 HydrophobicContact CB-CD2 4.29Å |
| 755 | L | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 171.4 | -73.8 | 176.3 | 0 | 0 | 0 | 112.1 | L683 L686 F724 A727 Q728 I731 V751 M758 A759 L788 | L683-L755 HydrophobicContact CD2-CD1 4.05Å; L683-L755 HydrophobicContact CD2-CD2 4.16Å; L683-L755 HydrophobicContact CD2-CG 4.4Å; L686-L755 HydrophobicContact CD1-CD2 4.39Å; F724-L755 HydrophobicContact CB-CD2 4.43Å; F724-L755 HydrophobicContact CD1-CB 4.37Å; F724-L755 HydrophobicContact CD1-CD2 3.45Å; F724-L755 VanDerWaalsContact CD1-CD2 3.45Å; F724-L755 HydrophobicContact CD2-CD2 4.43Å; F724-L755 HydrophobicContact CE1-CD2 3.7Å; F724-L755 HydrophobicContact CG-CD2 3.86Å; F724-L755 HydrophobicContact CZ-CD2 4.32Å; A727-L755 HydrophobicContact CB-CD1 4.18Å; Q728-L755 HydrophobicContact CG-CB 3.84Å; Q728-L755 HydrophobicContact CG-CD1 4.23Å; I731-L755 HydrophobicContact CD1-CD1 3.73Å; V751-L755 HydrophobicContact CG1-CD1 3.97Å; V751-L755 HydrophobicContact CG1-CG 4.31Å; V751-L755 WeakPolarHBondContact O-CB 3.09Å; V751-L755 VanDerWaalsContact O-CG 3.3Å; V751-L755 WeakPolarHBondContact O-CG 3.25Å; V751-L755 PolarHBondContact O-N 3.43Å; L755-M758 PolarHBondContact O-N 2.85Å; L755-A759 WeakPolarHBondContact O-CB 3.07Å; L755-A759 PolarHBondContact O-N 2.71Å; L755-L788 HydrophobicContact CD2-CD1 4.1Å |
| 756 | R | 88.3 | Confident | 89.1 | Confident | 86 Ų | 86 | 35.2 Ų | 35.2 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 176.7 | -157.9 | 172.5 | 176.5 | 107.7 | -6.4 | 111.7 | D165 Q728 R752 R753 D754 A759 L760 | D165-R756 IonicContact OD1-CZ 2.66Å; D165-R756 IonicContact OD1-NH1 3.6Å; D165-R756 PolarHBondContact OD1-NH1 3.04Å; D165-R756 IonicContact OD1-NH2 3.23Å; D165-R756 PolarHBondContact OD1-NH2 3.18Å; D165-R756 IonicContact OD2-NH1 2.61Å; Q728-R756 VanDerWaalsContact OE1-CB 3.32Å; R752-R756 PolarHBondContact O-N 2.91Å; R753-R756 PolarHBondContact O-N 2.76Å; D754-R756 VanDerWaalsContact C-N 3.35Å; D754-R756 PolarHBondContact O-N 2.88Å; R756-A759 PolarHBondContact O-N 3.16Å; R756-L760 HydrophobicContact CG-CD1 4.43Å; R756-L760 WeakPolarHBondContact O-CB 3.3Å; R756-L760 WeakPolarHBondContact O-CD1 3.46Å; R756-L760 WeakPolarHBondContact O-CG 3.49Å; R756-L760 PolarHBondContact O-N 2.83Å |
| 757 | R | 88 | Confident | 89.2 | Confident | 71 Ų | 71 | 38 Ų | 38 | 27% | 0.268 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 176 | -170.7 | 179.2 | -76.6 | 179.4 | -7.5 | 111.3 | N133 P135 L136 R753 D754 L761 | N133-R757 PolarHBondContact O-NH2 2.85Å; P135-R757 PolarHBondContact O-NH1 2.81Å; P135-R757 VanDerWaalsContact O-NH1 3.12Å; L136-R757 HydrophobicContact CD1-CG 4.23Å; R753-R757 WeakPolarHBondContact O-CB 3.48Å; R753-R757 PolarHBondContact O-N 3.34Å; D754-R757 PolarHBondContact O-N 2.84Å; R757-L761 HydrophobicContact CG-CD1 4.32Å; R757-L761 WeakPolarHBondContact O-CB 3.48Å; R757-L761 VanDerWaalsContact O-CG 3.27Å; R757-L761 WeakPolarHBondContact O-CG 3.3Å; R757-L761 PolarHBondContact O-N 2.86Å |
| 758 | M | 91.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 177.2 | -68.5 | 168.3 | 82.9 | 0 | 0 | 112.5 | F724 D754 L755 L761 M762 L784 R787 L788 L791 | F724-M758 HydrophobicContact CD1-CB 3.81Å; F724-M758 HydrophobicContact CE1-CB 3.67Å; F724-M758 HydrophobicContact CE1-CE 3.89Å; F724-M758 HydrophobicContact CE1-CG 4.46Å; F724-M758 HydrophobicContact CE1-SD 4.08Å; F724-M758 HydrophobicContact CZ-CE 4.42Å; D754-M758 WeakPolarHBondContact O-CB 3.18Å; D754-M758 WeakPolarHBondContact O-CG 3.44Å; D754-M758 PolarHBondContact O-N 3.24Å; L755-M758 PolarHBondContact O-N 2.85Å; M758-L761 PolarHBondContact O-N 3.31Å; M758-M762 HydrophobicContact CB-CE 4.39Å; M758-M762 WeakPolarHBondContact O-CB 3.43Å; M758-M762 WeakPolarHBondContact O-CG 3.37Å; M758-M762 PolarHBondContact O-N 2.84Å; M758-L784 HydrophobicContact CB-CD2 4.13Å; M758-L784 HydrophobicContact CE-CB 4.09Å; M758-L784 HydrophobicContact CE-CD2 3.87Å; M758-L784 WeakPolarHBondContact CE-O 3.03Å; M758-L784 HydrophobicContact CG-CD2 3.82Å; M758-R787 HydrophobicContact CE-CB 3.87Å; M758-R787 HydrophobicContact CE-CG 4.1Å; M758-R787 HydrophobicContact SD-CB 4.42Å; M758-R787 HydrophobicContact SD-CG 3.97Å; M758-L788 HydrophobicContact CE-CB 4.26Å; M758-L791 HydrophobicContact SD-CD1 4.22Å |
| 759 | A | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F168 A721 F724 L755 R756 L761 M762 I763 | F168-A759 HydrophobicContact CE1-CB 4.34Å; F168-A759 HydrophobicContact CZ-CB 4.09Å; A721-A759 HydrophobicContact CB-CB 4.09Å; F724-A759 HydrophobicContact CB-CB 4.02Å; L755-A759 WeakPolarHBondContact O-CB 3.07Å; L755-A759 PolarHBondContact O-N 2.71Å; R756-A759 PolarHBondContact O-N 3.16Å; A759-L761 PolarHBondContact O-N 2.83Å; A759-M762 PolarHBondContact O-N 3.32Å; A759-I763 WeakPolarHBondContact O-CG1 3.45Å; A759-I763 PolarHBondContact O-N 2.97Å; A759-I763 VanDerWaalsContact O-N 3.07Å |
| 760 | L | 88.3 | Confident | 88.9 | Confident | 82 Ų | 82 | 41.4 Ų | 41.4 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 173 | -79.7 | 159.6 | 0 | 0 | 0 | 112.1 | F168 R756 I763 N764 | F168-L760 HydrophobicContact CE2-CD2 3.67Å; F168-L760 HydrophobicContact CE2-CG 3.99Å; F168-L760 HydrophobicContact CZ-CD2 4.49Å; F168-L760 HydrophobicContact CZ-CG 4.37Å; R756-L760 HydrophobicContact CG-CD1 4.43Å; R756-L760 WeakPolarHBondContact O-CB 3.3Å; R756-L760 WeakPolarHBondContact O-CD1 3.46Å; R756-L760 WeakPolarHBondContact O-CG 3.49Å; R756-L760 PolarHBondContact O-N 2.83Å; L760-I763 PolarHBondContact O-N 3.34Å; L760-N764 PolarHBondContact O-N 3.28Å |
| 761 | L | 90.2 | Very high | 88.5 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.2 | -75.8 | 168.2 | 0 | 0 | 0 | 111.5 | L136 R757 M758 A759 I763 N764 L765 | L136-L761 HydrophobicContact CD1-CD1 3.91Å; R757-L761 HydrophobicContact CG-CD1 4.32Å; R757-L761 WeakPolarHBondContact O-CB 3.48Å; R757-L761 VanDerWaalsContact O-CG 3.27Å; R757-L761 WeakPolarHBondContact O-CG 3.3Å; R757-L761 PolarHBondContact O-N 2.86Å; M758-L761 PolarHBondContact O-N 3.31Å; A759-L761 PolarHBondContact O-N 2.83Å; L761-I763 VanDerWaalsContact C-N 3.34Å; L761-I763 PolarHBondContact O-N 3.26Å; L761-N764 PolarHBondContact O-N 2.82Å; L761-N764 VanDerWaalsContact O-N 3.11Å; L761-L765 WeakPolarHBondContact O-CB 3.42Å; L761-L765 VanDerWaalsContact O-CG 3.25Å; L761-L765 WeakPolarHBondContact O-CG 3.13Å; L761-L765 PolarHBondContact O-N 2.8Å |
| 762 | M | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 178.4 | -76 | -169.8 | -90.4 | 0 | 0 | 113.1 | F690 F717 M720 A721 F724 M758 A759 N764 L765 S766 L784 | F690-M762 HydrophobicContact CE2-SD 4.5Å; F690-M762 HydrophobicContact CZ-SD 4.09Å; F717-M762 HydrophobicContact CB-CB 4.14Å; F717-M762 HydrophobicContact CD1-CB 4.04Å; F717-M762 HydrophobicContact CD1-CG 3.64Å; F717-M762 HydrophobicContact CD1-SD 3.98Å; F717-M762 HydrophobicContact CE1-CG 4.23Å; F717-M762 HydrophobicContact CG-CB 4.42Å; F717-M762 HydrophobicContact CG-CG 4.48Å; M720-M762 HydrophobicContact CB-CE 4.19Å; M720-M762 HydrophobicContact CB-SD 3.79Å; A721-M762 HydrophobicContact CB-CB 4.21Å; F724-M762 HydrophobicContact CD1-CE 3.52Å; F724-M762 HydrophobicContact CD2-CE 4.09Å; F724-M762 HydrophobicContact CE1-CE 3.45Å; F724-M762 VanDerWaalsContact CE1-CE 3.45Å; F724-M762 HydrophobicContact CE2-CE 4.01Å; F724-M762 HydrophobicContact CG-CE 3.85Å; F724-M762 HydrophobicContact CZ-CE 3.68Å; M758-M762 HydrophobicContact CB-CE 4.39Å; M758-M762 WeakPolarHBondContact O-CB 3.43Å; M758-M762 WeakPolarHBondContact O-CG 3.37Å; M758-M762 PolarHBondContact O-N 2.84Å; A759-M762 PolarHBondContact O-N 3.32Å; M762-N764 VanDerWaalsContact C-N 3.34Å; M762-N764 PolarHBondContact O-N 3.4Å; M762-L765 PolarHBondContact O-N 3.29Å; M762-S766 WeakPolarHBondContact O-CB 3.48Å; M762-S766 PolarHBondContact O-N 2.96Å; M762-L784 HydrophobicContact CG-CD1 3.67Å; M762-L784 HydrophobicContact SD-CD1 4.39Å |
| 763 | I | 88 | Confident | 87.5 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 173.4 | -66.2 | 166.2 | 0 | 0 | 0 | 111.6 | F168 I172 L718 A721 A759 L760 L761 S766 K767 | F168-I763 HydrophobicContact CD2-CD1 4.42Å; F168-I763 HydrophobicContact CE1-CD1 4.06Å; F168-I763 HydrophobicContact CE2-CD1 3.53Å; F168-I763 HydrophobicContact CZ-CD1 3.32Å; I172-I763 HydrophobicContact CD1-CD1 4.06Å; I172-I763 HydrophobicContact CG1-CD1 3.63Å; I172-I763 HydrophobicContact CG1-CG1 4.18Å; L718-I763 HydrophobicContact CD2-CG1 4.31Å; A721-I763 HydrophobicContact CB-CD1 4.39Å; A721-I763 HydrophobicContact CB-CG1 3.99Å; A759-I763 WeakPolarHBondContact O-CG1 3.45Å; A759-I763 PolarHBondContact O-N 2.97Å; A759-I763 VanDerWaalsContact O-N 3.07Å; L760-I763 PolarHBondContact O-N 3.34Å; L761-I763 VanDerWaalsContact C-N 3.34Å; L761-I763 PolarHBondContact O-N 3.26Å; I763-S766 PolarHBondContact O-OG 3Å; I763-S766 VanDerWaalsContact O-OG 3.04Å; I763-K767 WeakPolarHBondContact O-CG 3.41Å |
| 764 | N | 88.2 | Confident | 87.3 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -74 | -38.2 | 176.2 | -71.9 | -21.3 | 0 | 0 | 0 | 112.2 | L760 L761 M762 K767 Q768 | L760-N764 PolarHBondContact O-N 3.28Å; L761-N764 PolarHBondContact O-N 2.82Å; L761-N764 VanDerWaalsContact O-N 3.11Å; M762-N764 VanDerWaalsContact C-N 3.34Å; M762-N764 PolarHBondContact O-N 3.4Å; N764-K767 WeakPolarHBondContact O-CB 3.17Å; N764-K767 PolarHBondContact O-N 3.33Å; N764-Q768 WeakPolarHBondContact O-CG 3.48Å; N764-Q768 PolarHBondContact O-N 3.25Å |
| 765 | L | 90.1 | Very high | 86.9 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 175.4 | -70.4 | 173.6 | 0 | 0 | 0 | 111.7 | F717 L761 M762 K767 Q768 V769 K777 D780 L784 | F717-L765 HydrophobicContact CD2-CB 4.18Å; F717-L765 HydrophobicContact CE1-CB 4.48Å; F717-L765 HydrophobicContact CE1-CD1 4.17Å; F717-L765 HydrophobicContact CE2-CB 3.87Å; F717-L765 HydrophobicContact CZ-CB 4.03Å; F717-L765 HydrophobicContact CZ-CD1 4.1Å; L761-L765 WeakPolarHBondContact O-CB 3.42Å; L761-L765 VanDerWaalsContact O-CG 3.25Å; L761-L765 WeakPolarHBondContact O-CG 3.13Å; L761-L765 PolarHBondContact O-N 2.8Å; M762-L765 PolarHBondContact O-N 3.29Å; L765-K767 VanDerWaalsContact C-N 3.25Å; L765-K767 PolarHBondContact O-N 2.81Å; L765-Q768 CarbonylContact O-C 3.53Å; L765-Q768 WeakPolarHBondContact O-CA 3.48Å; L765-Q768 WeakPolarHBondContact O-CB 3.38Å; L765-Q768 PolarHBondContact O-N 2.89Å; L765-V769 WeakPolarHBondContact O-CG2 3.3Å; L765-V769 PolarHBondContact O-N 3.19Å; L765-V769 VanDerWaalsContact O-N 3.11Å; L765-K777 HydrophobicContact CD2-CD 4.06Å; L765-D780 HydrophobicContact CD1-CB 4.03Å; L765-D780 HydrophobicContact CD2-CB 4.26Å; L765-D780 WeakPolarHBondContact CD2-OD2 3.21Å; L765-L784 HydrophobicContact CD1-CD1 3.75Å |
| 766 | S | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 178.7 | 81.5 | 0 | 0 | 0 | 0 | 111.3 | R714 M762 I763 Q768 V769 | R714-S766 WeakPolarHBondContact CG-O 3.34Å; R714-S766 VanDerWaalsContact CZ-O 3.31Å; R714-S766 PolarHBondContact NH1-O 2.9Å; M762-S766 WeakPolarHBondContact O-CB 3.48Å; M762-S766 PolarHBondContact O-N 2.96Å; I763-S766 PolarHBondContact O-OG 3Å; I763-S766 VanDerWaalsContact O-OG 3.04Å; S766-Q768 VanDerWaalsContact C-N 3.32Å; S766-Q768 PolarHBondContact O-N 3.13Å; S766-V769 PolarHBondContact O-N 3.36Å |
| 767 | K | 88.1 | Confident | 86.4 | Confident | 81 Ų | 81 | 52 Ų | 52 | 35% | 0.352 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 174.4 | -68.3 | 168 | -177.6 | -173.5 | 0 | 111.9 | E175 R714 I763 N764 L765 V769 H770 | E175-K767 VanDerWaalsContact CD-CE 3.4Å; E175-K767 WeakPolarHBondContact OE1-CE 3.33Å; E175-K767 IonicContact OE1-NZ 3.99Å; E175-K767 PolarHBondContact OE1-NZ 3.11Å; R714-K767 PolarHBondContact NH1-O 3.16Å; I763-K767 WeakPolarHBondContact O-CG 3.41Å; N764-K767 WeakPolarHBondContact O-CB 3.17Å; N764-K767 PolarHBondContact O-N 3.33Å; L765-K767 VanDerWaalsContact C-N 3.25Å; L765-K767 PolarHBondContact O-N 2.81Å; K767-V769 PolarHBondContact O-N 3.27Å; K767-H770 PolarHBondContact O-CE1 3.33Å |
| 768 | Q | 88.5 | Confident | 86.2 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -76.8 | -7.7 | 178.9 | -62.9 | 174.5 | 8.5 | 0 | 0 | 115.3 | N764 L765 S766 H770 T773 | N764-Q768 WeakPolarHBondContact O-CG 3.48Å; N764-Q768 PolarHBondContact O-N 3.25Å; L765-Q768 CarbonylContact O-C 3.53Å; L765-Q768 WeakPolarHBondContact O-CA 3.48Å; L765-Q768 WeakPolarHBondContact O-CB 3.38Å; L765-Q768 PolarHBondContact O-N 2.89Å; S766-Q768 VanDerWaalsContact C-N 3.32Å; S766-Q768 PolarHBondContact O-N 3.13Å; Q768-H770 PolarHBondContact O-N 3.42Å; Q768-T773 PolarHBondContact O-OG1 2.91Å |
| 769 | V | 86.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -68.6 | 107.4 | 178.8 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | K710 L713 R714 F717 L765 S766 K767 L774 K777 | K710-V769 HydrophobicContact CB-CG1 4.45Å; K710-V769 WeakPolarHBondContact CE-O 3.28Å; K710-V769 HydrophobicContact CG-CG1 3.78Å; L713-V769 HydrophobicContact CB-CG1 4.39Å; L713-V769 HydrophobicContact CD2-CG1 4.17Å; L713-V769 HydrophobicContact CD2-CG2 3.93Å; L713-V769 HydrophobicContact CG-CG2 4.09Å; R714-V769 HydrophobicContact CG-CB 3.69Å; R714-V769 HydrophobicContact CG-CG1 4.04Å; R714-V769 HydrophobicContact CG-CG2 4.12Å; F717-V769 HydrophobicContact CD2-CG2 3.97Å; F717-V769 HydrophobicContact CE2-CG2 3.8Å; L765-V769 WeakPolarHBondContact O-CG2 3.3Å; L765-V769 PolarHBondContact O-N 3.19Å; L765-V769 VanDerWaalsContact O-N 3.11Å; S766-V769 PolarHBondContact O-N 3.36Å; K767-V769 PolarHBondContact O-N 3.27Å; V769-L774 HydrophobicContact CG1-CD1 4.07Å; V769-K777 HydrophobicContact CG2-CB 4.24Å; V769-K777 HydrophobicContact CG2-CG 4.33Å | ||
| 770 | H | 83.4 | Confident | 85.8 | Confident | 100 Ų | 100 | 57 Ų | 57 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | trans | -129.5 | 169 | -178.7 | -60.8 | -9.9 | 0 | 0 | 0 | 110.3 | K767 Q768 N772 T773 L774 | K767-H770 PolarHBondContact O-CE1 3.33Å; Q768-H770 PolarHBondContact O-N 3.42Å; H770-N772 PolarHBondContact O-N 3.29Å; H770-T773 WeakPolarHBondContact CB-OG1 3.44Å; H770-T773 PolarHBondContact N-OG1 2.68Å; H770-T773 PolarHBondContact O-N 3.14Å; H770-T773 PolarHBondContact O-OG1 2.72Å; H770-L774 PolarHBondContact O-N 3.18Å | ||
| 771 | R | 78 | Confident | 85.9 | Confident | 167 Ų | 167 | 53.1 Ų | 53.1 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -38.2 | -177.7 | -170.7 | -177.8 | -178.9 | 170.6 | -1.1 | 112.1 | I706 | I706-R771 HydrophobicContact CG2-CG 3.72Š|
| 772 | N | 78.1 | Confident | 85.8 | Confident | 148 Ų | 148 | 52.4 Ų | 52.4 | 79% | 0.791 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -32 | -172.9 | -56.3 | 24.2 | 0 | 0 | 0 | 112.5 | H770 | H770-N772 PolarHBondContact O-N 3.29Š|
| 773 | T | 83.5 | Confident | 85.5 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.1 | -178.9 | 56 | 0 | 0 | 0 | 0 | 113.3 | Q768 H770 G775 E776 K777 | Q768-T773 PolarHBondContact O-OG1 2.91Å; H770-T773 WeakPolarHBondContact CB-OG1 3.44Å; H770-T773 PolarHBondContact N-OG1 2.68Å; H770-T773 PolarHBondContact O-N 3.14Å; H770-T773 PolarHBondContact O-OG1 2.72Å; T773-G775 VanDerWaalsContact C-N 3.32Å; T773-G775 PolarHBondContact O-N 3.13Å; T773-E776 WeakPolarHBondContact O-CB 3.47Å; T773-E776 PolarHBondContact O-N 2.71Å; T773-K777 WeakPolarHBondContact O-CG 3.23Å; T773-K777 PolarHBondContact O-N 2.84Å |
| 774 | L | 82.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.8 | -40.9 | -170.4 | -177.9 | 58.3 | 0 | 0 | 0 | 113.7 | F701 I706 A709 L713 V769 H770 E776 K777 I778 | F701-L774 HydrophobicContact CD2-CD2 3.6Å; F701-L774 HydrophobicContact CD2-CG 3.98Å; F701-L774 HydrophobicContact CE2-CB 4.43Å; F701-L774 HydrophobicContact CE2-CD2 4Å; F701-L774 HydrophobicContact CE2-CG 4.15Å; I706-L774 HydrophobicContact CG2-CD2 3.92Å; A709-L774 HydrophobicContact CB-CD2 3.85Å; L713-L774 HydrophobicContact CB-CD1 4.3Å; L713-L774 HydrophobicContact CD2-CD1 3.54Å; V769-L774 HydrophobicContact CG1-CD1 4.07Å; H770-L774 PolarHBondContact O-N 3.18Å; L774-E776 VanDerWaalsContact C-N 3.31Å; L774-E776 PolarHBondContact O-N 2.97Å; L774-K777 PolarHBondContact O-N 3.1Å; L774-I778 HydrophobicContact CD1-CD1 4.49Å; L774-I778 HydrophobicContact CG-CD1 4.31Å; L774-I778 VanDerWaalsContact O-CG1 3.3Å; L774-I778 WeakPolarHBondContact O-CG1 3.42Å; L774-I778 PolarHBondContact O-N 2.74Å |
| 775 | G | 80 | Confident | 85.8 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66 | -31.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T773 K779 | T773-G775 VanDerWaalsContact C-N 3.32Å; T773-G775 PolarHBondContact O-N 3.13Å; G775-K779 PolarHBondContact O-N 3.24Å |
| 776 | E | 82.2 | Confident | 85.6 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -75 | -43.8 | 174 | -57.9 | 171.7 | 142.4 | 0 | 0 | 110 | T773 L774 I778 K779 D780 | T773-E776 WeakPolarHBondContact O-CB 3.47Å; T773-E776 PolarHBondContact O-N 2.71Å; L774-E776 VanDerWaalsContact C-N 3.31Å; L774-E776 PolarHBondContact O-N 2.97Å; E776-I778 PolarHBondContact O-N 2.91Å; E776-K779 WeakPolarHBondContact O-CA 3.27Å; E776-K779 VanDerWaalsContact O-CB 3.3Å; E776-K779 WeakPolarHBondContact O-CB 3.24Å; E776-K779 PolarHBondContact O-N 3.17Å; E776-D780 PolarHBondContact O-N 3.27Å |
| 777 | K | 87.5 | Confident | 85.5 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.8 | -22 | 178.9 | -59.5 | -38.8 | -169.8 | -175.1 | 0 | 113.5 | L713 F717 L765 V769 T773 L774 D780 A781 | L713-K777 HydrophobicContact CD2-CB 3.86Å; F717-K777 HydrophobicContact CE2-CB 4.45Å; L765-K777 HydrophobicContact CD2-CD 4.06Å; V769-K777 HydrophobicContact CG2-CB 4.24Å; V769-K777 HydrophobicContact CG2-CG 4.33Å; T773-K777 WeakPolarHBondContact O-CG 3.23Å; T773-K777 PolarHBondContact O-N 2.84Å; L774-K777 PolarHBondContact O-N 3.1Å; K777-D780 WeakPolarHBondContact CD-OD2 3.49Å; K777-D780 WeakPolarHBondContact CE-OD2 3.06Å; K777-D780 IonicContact NZ-OD2 3.78Å; K777-D780 PolarHBondContact NZ-OD2 2.65Å; K777-A781 PolarHBondContact O-N 3.48Å |
| 778 | I | 84.4 | Confident | 85.7 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 164.3 | -69.3 | 164.1 | 0 | 0 | 0 | 110.6 | V697 K698 F701 L713 L774 E776 A781 N782 | V697-I778 HydrophobicContact CG1-CD1 3.88Å; V697-I778 HydrophobicContact CG1-CG1 3.78Å; K698-I778 HydrophobicContact CG-CG2 4.02Å; F701-I778 HydrophobicContact CB-CD1 4.2Å; F701-I778 HydrophobicContact CD1-CD1 4.33Å; F701-I778 HydrophobicContact CD2-CD1 4.36Å; F701-I778 HydrophobicContact CG-CD1 4.05Å; L713-I778 HydrophobicContact CD2-CG1 4.37Å; L774-I778 HydrophobicContact CD1-CD1 4.49Å; L774-I778 HydrophobicContact CG-CD1 4.31Å; L774-I778 VanDerWaalsContact O-CG1 3.3Å; L774-I778 WeakPolarHBondContact O-CG1 3.42Å; L774-I778 PolarHBondContact O-N 2.74Å; E776-I778 PolarHBondContact O-N 2.91Å; I778-A781 PolarHBondContact O-N 2.81Å; I778-N782 PolarHBondContact O-N 3.33Å; I778-N782 VanDerWaalsContact O-N 3.08Å; I778-N782 PolarHBondContact O-ND2 2.65Å |
| 779 | K | 83.9 | Confident | 85.7 | Confident | 150 Ų | 150 | 50.2 Ų | 50.2 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 176.1 | -65.6 | 178.3 | -179.5 | -178.1 | 0 | 111.5 | G775 E776 A781 N782 A783 | G775-K779 PolarHBondContact O-N 3.24Å; E776-K779 WeakPolarHBondContact O-CA 3.27Å; E776-K779 VanDerWaalsContact O-CB 3.3Å; E776-K779 WeakPolarHBondContact O-CB 3.24Å; E776-K779 PolarHBondContact O-N 3.17Å; K779-A781 PolarHBondContact O-N 3.3Å; K779-N782 PolarHBondContact O-N 3.28Å; K779-A783 PolarHBondContact O-N 3.49Å |
| 780 | D | 88.5 | Confident | 85.6 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.6 | -42.8 | 174.3 | -61.4 | -2.2 | 0 | 0 | 0 | 111.4 | L765 E776 K777 A783 L784 | L765-D780 HydrophobicContact CD1-CB 4.03Å; L765-D780 HydrophobicContact CD2-CB 4.26Å; L765-D780 WeakPolarHBondContact CD2-OD2 3.21Å; E776-D780 PolarHBondContact O-N 3.27Å; K777-D780 WeakPolarHBondContact CD-OD2 3.49Å; K777-D780 WeakPolarHBondContact CE-OD2 3.06Å; K777-D780 IonicContact NZ-OD2 3.78Å; K777-D780 PolarHBondContact NZ-OD2 2.65Å; D780-A783 PolarHBondContact O-N 3.14Å; D780-L784 WeakPolarHBondContact O-CG 3.36Å; D780-L784 PolarHBondContact O-N 3.11Å |
| 781 | A | 91.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F690 I694 F717 K777 I778 K779 L784 H785 | F690-A781 HydrophobicContact CE2-CB 4.37Å; F690-A781 HydrophobicContact CZ-CB 4.07Å; I694-A781 HydrophobicContact CD1-CB 3.95Å; I694-A781 WeakPolarHBondContact CD1-O 3.17Å; I694-A781 HydrophobicContact CG1-CB 3.9Å; F717-A781 HydrophobicContact CE1-CB 3.84Å; F717-A781 HydrophobicContact CZ-CB 3.99Å; K777-A781 PolarHBondContact O-N 3.48Å; I778-A781 PolarHBondContact O-N 2.81Å; K779-A781 PolarHBondContact O-N 3.3Å; A781-L784 PolarHBondContact O-N 3.32Å; A781-H785 WeakPolarHBondContact O-CB 3.44Å; A781-H785 PolarHBondContact O-N 2.85Å |
| 782 | N | 87.9 | Confident | 86.4 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -34.8 | 175.3 | -70.8 | -98.6 | 0 | 0 | 0 | 111.4 | K698 I778 K779 H785 S786 | K698-N782 PolarHBondContact NZ-OD1 3.5Å; I778-N782 PolarHBondContact O-N 3.33Å; I778-N782 VanDerWaalsContact O-N 3.08Å; I778-N782 PolarHBondContact O-ND2 2.65Å; K779-N782 PolarHBondContact O-N 3.28Å; N782-H785 PolarHBondContact O-N 2.79Å; N782-S786 WeakPolarHBondContact O-CB 3.04Å; N782-S786 PolarHBondContact O-N 2.91Å |
| 783 | A | 84 | Confident | 86.8 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | T139 K779 D780 S786 R787 | T139-A783 HydrophobicContact CG2-CB 4.38Å; K779-A783 PolarHBondContact O-N 3.49Å; D780-A783 PolarHBondContact O-N 3.14Å; A783-S786 PolarHBondContact O-N 3.02Å; A783-R787 PolarHBondContact O-N 2.78Å |
| 784 | L | 91.4 | Very high | 87.1 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 172.3 | -71.9 | 168.8 | 0 | 0 | 0 | 111.9 | F690 F717 M758 M762 L765 D780 A781 S786 R787 L788 | F690-L784 HydrophobicContact CE1-CB 3.75Å; F690-L784 HydrophobicContact CZ-CB 4.19Å; F717-L784 HydrophobicContact CE1-CD1 4.3Å; M758-L784 HydrophobicContact CB-CD2 4.13Å; M758-L784 HydrophobicContact CE-CB 4.09Å; M758-L784 HydrophobicContact CE-CD2 3.87Å; M758-L784 WeakPolarHBondContact CE-O 3.03Å; M758-L784 HydrophobicContact CG-CD2 3.82Å; M762-L784 HydrophobicContact CG-CD1 3.67Å; M762-L784 HydrophobicContact SD-CD1 4.39Å; L765-L784 HydrophobicContact CD1-CD1 3.75Å; D780-L784 WeakPolarHBondContact O-CG 3.36Å; D780-L784 PolarHBondContact O-N 3.11Å; A781-L784 PolarHBondContact O-N 3.32Å; L784-S786 PolarHBondContact O-N 2.87Å; L784-R787 PolarHBondContact O-N 2.66Å; L784-L788 PolarHBondContact O-N 3.01Å |
| 785 | H | 92.2 | Very high | 87.2 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 174.3 | 173.2 | -93.8 | 0 | 0 | 0 | 111.9 | S687 F690 Y691 I694 A781 N782 R787 L788 C789 | S687-H785 PolarHBondContact O-CD2 3.47Å; S687-H785 PolarHBondContact O-NE2 3.44Å; S687-H785 PolarHBondContact OG-CD2 3.39Å; S687-H785 PolarHBondContact OG-NE2 2.81Å; F690-H785 HydrophobicContact CD1-CB 3.92Å; F690-H785 HydrophobicContact CE1-CB 4.13Å; Y691-H785 AromaticContact CD2-CE1 3.92Å; I694-H785 HydrophobicContact CD1-CB 3.88Å; A781-H785 WeakPolarHBondContact O-CB 3.44Å; A781-H785 PolarHBondContact O-N 2.85Å; N782-H785 PolarHBondContact O-N 2.79Å; H785-R787 VanDerWaalsContact C-N 3.34Å; H785-R787 PolarHBondContact O-N 3.03Å; H785-L788 WeakPolarHBondContact O-CB 3.42Å; H785-L788 PolarHBondContact O-N 3.46Å; H785-L788 VanDerWaalsContact O-N 3.14Å; H785-C789 PolarHBondContact CE1-SG 2.95Å; H785-C789 PolarHBondContact O-N 3.07Å; H785-C789 PolarHBondContact O-SG 3.26Å |
| 786 | S | 85 | Confident | 87.8 | Confident | 51 Ų | 51 | 40 Ų | 40 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 112 | N782 A783 L784 L788 C789 H790 | N782-S786 WeakPolarHBondContact O-CB 3.04Å; N782-S786 PolarHBondContact O-N 2.91Å; A783-S786 PolarHBondContact O-N 3.02Å; L784-S786 PolarHBondContact O-N 2.87Å; S786-L788 VanDerWaalsContact C-N 3.32Å; S786-L788 PolarHBondContact O-N 3.2Å; S786-C789 WeakPolarHBondContact O-CB 3.44Å; S786-C789 PolarHBondContact O-N 3.37Å; S786-H790 PolarHBondContact O-N 3.38Å; S786-H790 VanDerWaalsContact O-N 3.15Å; S786-H790 PolarHBondContact O-ND1 2.88Å; S786-H790 PolarHBondContact OG-CE1 3.44Å |
| 787 | R | 87.5 | Confident | 88.1 | Confident | 45 Ų | 45 | 36.1 Ų | 36.1 | 17% | 0.17 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 174.9 | -176.8 | 55.9 | 174 | -155.7 | 1 | 112.2 | A137 D754 M758 A783 L784 H785 H790 L791 | A137-R787 PolarHBondContact O-NH1 3.37Å; A137-R787 VanDerWaalsContact O-NH1 3.08Å; D754-R787 IonicContact OD2-CZ 2.67Å; D754-R787 IonicContact OD2-NE 3.66Å; D754-R787 PolarHBondContact OD2-NE 3.46Å; D754-R787 IonicContact OD2-NH2 3.77Å; D754-R787 PolarHBondContact OD2-NH2 3.43Å; M758-R787 HydrophobicContact CE-CB 3.87Å; M758-R787 HydrophobicContact CE-CG 4.1Å; M758-R787 HydrophobicContact SD-CB 4.42Å; M758-R787 HydrophobicContact SD-CG 3.97Å; A783-R787 PolarHBondContact O-N 2.78Å; L784-R787 PolarHBondContact O-N 2.66Å; H785-R787 VanDerWaalsContact C-N 3.34Å; H785-R787 PolarHBondContact O-N 3.03Å; R787-H790 PolarHBondContact O-N 3.44Å; R787-L791 WeakPolarHBondContact O-CG 3.47Å; R787-L791 PolarHBondContact O-N 2.85Å; R787-L791 VanDerWaalsContact O-N 3.1Å |
| 788 | L | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.7 | -179.5 | 61.6 | 0 | 0 | 0 | 112.1 | L683 L686 F724 L755 M758 L784 H785 S786 H790 L791 S792 | L683-L788 HydrophobicContact CB-CD1 4.23Å; L683-L788 HydrophobicContact CD2-CD1 3.67Å; L686-L788 HydrophobicContact CB-CD2 3.69Å; F724-L788 HydrophobicContact CE2-CD2 4.08Å; F724-L788 HydrophobicContact CZ-CD1 4.4Å; F724-L788 HydrophobicContact CZ-CD2 3.8Å; L755-L788 HydrophobicContact CD2-CD1 4.1Å; M758-L788 HydrophobicContact CE-CB 4.26Å; L784-L788 PolarHBondContact O-N 3.01Å; H785-L788 WeakPolarHBondContact O-CB 3.42Å; H785-L788 PolarHBondContact O-N 3.46Å; H785-L788 VanDerWaalsContact O-N 3.14Å; S786-L788 VanDerWaalsContact C-N 3.32Å; S786-L788 PolarHBondContact O-N 3.2Å; L788-H790 VanDerWaalsContact C-N 3.33Å; L788-H790 PolarHBondContact O-N 2.93Å; L788-L791 PolarHBondContact O-N 3.16Å; L788-L791 VanDerWaalsContact O-N 3.14Å; L788-S792 PolarHBondContact O-N 2.92Å |
| 789 | C | 89.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 34% | 0.338 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.6 | -49.6 | 172.2 | -70.5 | 0 | 0 | 0 | 0 | 111.4 | S687 H785 S786 L791 S792 | S687-C789 PolarHBondContact OG-SG 2.94Å; H785-C789 PolarHBondContact CE1-SG 2.95Å; H785-C789 PolarHBondContact O-N 3.07Å; H785-C789 PolarHBondContact O-SG 3.26Å; S786-C789 WeakPolarHBondContact O-CB 3.44Å; S786-C789 PolarHBondContact O-N 3.37Å; C789-L791 VanDerWaalsContact C-N 3.3Å; C789-L791 PolarHBondContact O-N 3.31Å; C789-S792 WeakPolarHBondContact O-CB 3.46Å; C789-S792 PolarHBondContact O-N 3.14Å; C789-S792 VanDerWaalsContact O-N 3.11Å; C789-S792 PolarHBondContact O-OG 3.04Å |
| 790 | H | 84.3 | Confident | 89.1 | Confident | 126 Ų | 126 | 28.6 Ų | 28.6 | 58% | 0.583 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -62.1 | -33 | 178.6 | -67 | 112.9 | 0 | 0 | 0 | 113.5 | S786 R787 L788 S792 N793 | S786-H790 PolarHBondContact O-N 3.38Å; S786-H790 VanDerWaalsContact O-N 3.15Å; S786-H790 PolarHBondContact O-ND1 2.88Å; S786-H790 PolarHBondContact OG-CE1 3.44Å; R787-H790 PolarHBondContact O-N 3.44Å; L788-H790 VanDerWaalsContact C-N 3.33Å; L788-H790 PolarHBondContact O-N 2.93Å; H790-S792 VanDerWaalsContact C-N 3.27Å; H790-S792 PolarHBondContact O-N 2.88Å; H790-N793 PolarHBondContact O-N 3.5Å |
| 791 | L | 88.6 | Confident | 89.4 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.1 | -23.1 | 176.5 | -70.2 | 172.1 | 0 | 0 | 0 | 113.2 | L683 Y747 V751 D754 M758 R787 L788 C789 N793 | L683-L791 HydrophobicContact CD1-CB 4.19Å; L683-L791 VanDerWaalsContact CD1-O 3.27Å; L683-L791 WeakPolarHBondContact CD1-O 3.39Å; Y747-L791 WeakPolarHBondContact CE2-O 3.46Å; Y747-L791 PolarHBondContact OH-O 3.07Å; V751-L791 HydrophobicContact CG2-CB 4.47Å; V751-L791 HydrophobicContact CG2-CD2 4.27Å; D754-L791 HydrophobicContact CB-CD1 3.85Å; D754-L791 HydrophobicContact CB-CD2 4.29Å; M758-L791 HydrophobicContact SD-CD1 4.22Å; R787-L791 WeakPolarHBondContact O-CG 3.47Å; R787-L791 PolarHBondContact O-N 2.85Å; R787-L791 VanDerWaalsContact O-N 3.1Å; L788-L791 PolarHBondContact O-N 3.16Å; L788-L791 VanDerWaalsContact O-N 3.14Å; C789-L791 VanDerWaalsContact C-N 3.3Å; C789-L791 PolarHBondContact O-N 3.31Å; L791-N793 PolarHBondContact O-N 3.21Å |
| 792 | S | 89.5 | Confident | 89.6 | Confident | 26 Ų | 26 | 28.9 Ų | 28.9 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -14 | 177.6 | 77.8 | 0 | 0 | 0 | 0 | 114.1 | P680 L788 C789 H790 C794 | P680-S792 WeakPolarHBondContact CB-O 3.47Å; L788-S792 PolarHBondContact O-N 2.92Å; C789-S792 WeakPolarHBondContact O-CB 3.46Å; C789-S792 PolarHBondContact O-N 3.14Å; C789-S792 VanDerWaalsContact O-N 3.11Å; C789-S792 PolarHBondContact O-OG 3.04Å; H790-S792 VanDerWaalsContact C-N 3.27Å; H790-S792 PolarHBondContact O-N 2.88Å; S792-C794 PolarHBondContact O-N 3.11Å |
| 793 | N | 86.4 | Confident | 89.8 | Confident | 75 Ų | 75 | 26.8 Ų | 26.8 | 40% | 0.401 | 15% | 0.153 | S | C | . | . | trans | -73.8 | 105.9 | 174.5 | -172.1 | 31.7 | 0 | 0 | 0 | 110.2 | D484 Y747 H790 L791 | D484-N793 PolarHBondContact OD2-ND2 3.46Å; Y747-N793 WeakPolarHBondContact CE2-O 3.33Å; H790-N793 PolarHBondContact O-N 3.5Å; L791-N793 PolarHBondContact O-N 3.21Å | ||
| 794 | C | 90.3 | Very high | 90.4 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 14% | 0.135 | 14% | 0.143 | C | C | . | . | trans | -81.4 | 122 | 172 | -163.9 | 0 | 0 | 0 | 0 | 109.1 | P680 Y747 S792 Q796 | P680-C794 HydrophobicContact CG-CB 3.81Å; Y747-C794 HydrophobicContact CE1-CB 4.16Å; S792-C794 PolarHBondContact O-N 3.11Å; C794-Q796 PolarHBondContact O-N 3.19Å | ||
| 795 | P | 84.9 | Confident | 90.4 | Very high | 13 Ų | 13 | 25 Ų | 25 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -76.9 | -2.8 | -171.2 | 33.3 | -39.1 | 0 | 0 | 0 | 114 | D484 L743 | D484-P795 HydrophobicContact CB-CB 4.05Å; L743-P795 HydrophobicContact CD1-CG 4.05Å; L743-P795 HydrophobicContact CD2-CB 4.07Å; L743-P795 HydrophobicContact CD2-CG 3.86Å; L743-P795 HydrophobicContact CG-CG 3.91Å |
| 796 | Q | 91 | Very high | 90.5 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -130.1 | 140 | 177 | -55.5 | -168.5 | 113.7 | 0 | 0 | 109.3 | F497 T741 L743 D744 C794 | F497-Q796 HydrophobicContact CD2-CG 3.95Å; F497-Q796 HydrophobicContact CE2-CB 4.24Å; F497-Q796 HydrophobicContact CE2-CG 3.67Å; F497-Q796 HydrophobicContact CZ-CG 4.29Å; T741-Q796 PolarHBondContact OG1-NE2 2.79Å; L743-Q796 HydrophobicContact CD2-CG 3.6Å; L743-Q796 HydrophobicContact CG-CG 4.29Å; D744-Q796 PolarHBondContact OD1-NE2 3.02Å; D744-Q796 PolarHBondContact OD2-NE2 2.92Å; D744-Q796 VanDerWaalsContact OD2-NE2 3.15Å; C794-Q796 PolarHBondContact O-N 3.19Å |
| 797 | D | 89.3 | Confident | 90.9 | Very high | 27 Ų | 27 | 21.8 Ų | 21.8 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | trans | -70.4 | 152.4 | -175.1 | -65.5 | -3.5 | 0 | 0 | 0 | 111.9 | R478 I502 N503 R676 | R478-D797 IonicContact CZ-OD1 2.75Å; R478-D797 IonicContact CZ-OD2 2.8Å; R478-D797 VanDerWaalsContact NH1-CG 3.33Å; R478-D797 IonicContact NH1-OD1 2.97Å; R478-D797 PolarHBondContact NH1-OD1 2.8Å; R478-D797 VanDerWaalsContact NH1-OD1 3.14Å; R478-D797 IonicContact NH1-OD2 2.78Å; R478-D797 PolarHBondContact NH1-OD2 3.33Å; R478-D797 IonicContact NH2-OD1 2.77Å; R478-D797 PolarHBondContact NH2-OD1 2.8Å; R478-D797 IonicContact NH2-OD2 3.69Å; I502-D797 WeakPolarHBondContact CA-OD2 3.47Å; N503-D797 PolarHBondContact N-OD2 2.89Å; R676-D797 WeakPolarHBondContact CD-O 3.41Å; R676-D797 PolarHBondContact NH1-O 2.86Å | ||
| 798 | G | 88 | Confident | 91.1 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 18% | 0.175 | 11% | 0.113 | C | C | . | . | trans | -97.9 | -134.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N503 | N503-G798 PolarHBondContact ND2-O 2.96Š| ||
| 799 | L | 94.1 | Very high | 90.8 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 5% | 0.047 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -65.2 | 153.6 | 175.6 | -58.8 | 173.1 | 0 | 0 | 0 | 111.9 | N503 Y573 F602 Y670 M677 A820 L869 | N503-L799 PolarHBondContact ND2-O 3.35Å; Y573-L799 HydrophobicContact CD1-CD1 3.89Å; Y573-L799 HydrophobicContact CD2-CD2 4.16Å; Y573-L799 HydrophobicContact CE1-CD1 3.67Å; Y573-L799 HydrophobicContact CE1-CD2 4.48Å; Y573-L799 HydrophobicContact CE2-CD1 4.38Å; Y573-L799 HydrophobicContact CE2-CD2 3.73Å; Y573-L799 HydrophobicContact CG-CD1 4.34Å; F602-L799 HydrophobicContact CE2-CB 4.04Å; F602-L799 HydrophobicContact CZ-CB 4.21Å; F602-L799 HydrophobicContact CZ-CD1 4.12Å; F602-L799 HydrophobicContact CZ-CD2 4.47Å; Y670-L799 HydrophobicContact CD2-CD2 4.38Å; Y670-L799 HydrophobicContact CG-CD2 4.32Å; M677-L799 HydrophobicContact CE-CD1 3.66Å; M677-L799 HydrophobicContact CE-CG 3.99Å; M677-L799 HydrophobicContact SD-CB 4.29Å; M677-L799 HydrophobicContact SD-CD1 3.78Å; M677-L799 HydrophobicContact SD-CG 3.92Å; L799-A820 HydrophobicContact CB-CB 3.79Å; L799-L869 HydrophobicContact CD1-CD2 4.3Å |
| 800 | P | 94.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 148.5 | 171.2 | -22.2 | 34.8 | 0 | 0 | 0 | 112.6 | Y533 F602 Y670 | Y533-P800 HydrophobicContact CD2-CB 4.14Å; Y533-P800 HydrophobicContact CE2-CB 3.94Å; Y533-P800 HydrophobicContact CE2-CG 4.09Å; F602-P800 WeakPolarHBondContact CD2-O 3.35Å; F602-P800 VanDerWaalsContact CE2-O 3.25Å; F602-P800 WeakPolarHBondContact CE2-O 3.39Å; Y670-P800 HydrophobicContact CD1-CG 4.31Å; Y670-P800 HydrophobicContact CE1-CG 3.8Å; Y670-P800 HydrophobicContact CE2-CG 4.29Å |
| 801 | D | 94.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 10% | 0.102 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 153.2 | -178.7 | -63.2 | -19.7 | 0 | 0 | 0 | 112.4 | Y505 F803 R817 P819 | Y505-D801 HydrophobicContact CE1-CB 4.03Å; Y505-D801 PolarHBondContact OH-N 2.94Å; Y505-D801 PolarHBondContact OH-OD2 2.86Å; D801-F803 HydrophobicContact CB-CE2 4.25Å; D801-R817 HydrophobicContact CB-CG 4.14Å; D801-R817 IonicContact OD2-CZ 3.41Å; D801-R817 IonicContact OD2-NE 3.81Å; D801-R817 PolarHBondContact OD2-NE 2.71Å; D801-R817 IonicContact OD2-NH2 3.24Å; D801-R817 PolarHBondContact OD2-NH2 2.71Å; D801-P819 WeakPolarHBondContact OD1-CA 3.5Å |
| 802 | V | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.4 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | L575 I600 S601 F602 I818 I823 | L575-V802 HydrophobicContact CD1-CG2 4.31Å; L575-V802 HydrophobicContact CD2-CG1 3.98Å; L575-V802 HydrophobicContact CD2-CG2 3.82Å; I600-V802 HydrophobicContact CD1-CG1 3.96Å; I600-V802 HydrophobicContact CG1-CG1 3.8Å; S601-V802 CarbonylContact O-C 3.46Å; S601-V802 VanDerWaalsContact O-CA 3.25Å; S601-V802 WeakPolarHBondContact O-CA 3.29Å; F602-V802 HydrophobicContact CB-CG2 4.18Å; F602-V802 HydrophobicContact CD2-CG2 3.79Å; F602-V802 HydrophobicContact CG-CG2 4.26Å; V802-I818 HydrophobicContact CB-CB 4.37Å; V802-I818 PolarHBondContact N-O 2.78Å; V802-I818 PolarHBondContact O-N 2.96Å; V802-I823 HydrophobicContact CB-CD1 4.15Å; V802-I823 HydrophobicContact CG2-CD1 3.87Å |
| 803 | F | 93.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.7 | 176.2 | -67.7 | -96.1 | 0 | 0 | 0 | 110 | Y505 G530 V531 I600 S601 D801 F815 V816 R817 | Y505-F803 HydrophobicContact CD1-CE2 4.02Å; Y505-F803 AromaticContact CD1-CZ 3.77Å; Y505-F803 HydrophobicContact CD1-CZ 3.77Å; Y505-F803 AromaticContact CE1-CE2 3.93Å; Y505-F803 HydrophobicContact CE1-CE2 3.93Å; Y505-F803 HydrophobicContact CE1-CZ 4.06Å; G530-F803 WeakPolarHBondContact O-CE1 3.41Å; V531-F803 VanDerWaalsContact O-CD1 3.32Å; V531-F803 WeakPolarHBondContact O-CD1 3.2Å; V531-F803 WeakPolarHBondContact O-CE1 3.33Å; I600-F803 CarbonylContact C-O 3.49Å; I600-F803 WeakPolarHBondContact CA-O 3.33Å; S601-F803 PolarHBondContact N-O 3.41Å; S601-F803 PolarHBondContact O-N 3.38Å; D801-F803 HydrophobicContact CB-CE2 4.25Å; F803-F815 HydrophobicContact CD1-CD2 4.42Å; F803-V816 WeakPolarHBondContact CA-O 3.2Å; F803-R817 HydrophobicContact CD1-CB 3.93Å; F803-R817 HydrophobicContact CD1-CG 4.18Å; F803-R817 HydrophobicContact CE1-CB 3.67Å; F803-R817 HydrophobicContact CE1-CG 3.6Å; F803-R817 HydrophobicContact CE2-CG 4.44Å; F803-R817 HydrophobicContact CZ-CB 4.34Å; F803-R817 HydrophobicContact CZ-CG 3.75Å |
| 804 | I | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.8 | 166.7 | -56.1 | 171.8 | 0 | 0 | 0 | 107.8 | F579 E599 I600 F815 V816 I818 L842 I863 I865 | F579-I804 HydrophobicContact CZ-CG2 4.2Å; E599-I804 CarbonylContact O-C 3.48Å; E599-I804 WeakPolarHBondContact O-CA 3.32Å; I600-I804 HydrophobicContact CB-CG1 4.42Å; I600-I804 HydrophobicContact CD1-CD1 4.4Å; I600-I804 HydrophobicContact CD1-CG1 4.11Å; I600-I804 HydrophobicContact CG1-CG1 3.97Å; I804-F815 CarbonylContact O-C 3.47Å; I804-F815 VanDerWaalsContact O-CA 3.31Å; I804-F815 WeakPolarHBondContact O-CA 3.36Å; I804-V816 HydrophobicContact CB-CG1 3.83Å; I804-V816 HydrophobicContact CD1-CG1 4.49Å; I804-V816 HydrophobicContact CG1-CG1 4.49Å; I804-V816 PolarHBondContact N-O 3.29Å; I804-V816 PolarHBondContact O-N 3.01Å; I804-I818 HydrophobicContact CD1-CD1 3.85Å; I804-I818 HydrophobicContact CG1-CD1 4.31Å; I804-L842 HydrophobicContact CD1-CD1 4Å; I804-I863 HydrophobicContact CD1-CD1 4.06Å; I804-I863 HydrophobicContact CG2-CD1 4.03Å; I804-I865 HydrophobicContact CD1-CD1 3.72Å |
| 805 | S | 92.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.2 | -178.7 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | Y598 E599 R812 G814 | Y598-S805 CarbonylContact C-O 3.55Å; Y598-S805 WeakPolarHBondContact CA-O 3.07Å; E599-S805 PolarHBondContact N-O 3.47Å; E599-S805 PolarHBondContact O-N 2.93Å; S805-R812 WeakPolarHBondContact OG-CD 3.32Å; S805-G814 WeakPolarHBondContact CA-O 3.25Å |
| 806 | M | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124 | 168.7 | -173.1 | -178.2 | -167.6 | 0 | 0 | 109 | I585 L589 I596 Y598 R812 V813 G814 L844 Q860 | I585-M806 HydrophobicContact CD1-CE 4.34Å; I585-M806 HydrophobicContact CG1-CE 4.13Å; I585-M806 HydrophobicContact CG2-CE 3.88Å; L589-M806 HydrophobicContact CD1-CE 3.75Å; L589-M806 HydrophobicContact CD1-SD 3.91Å; I596-M806 HydrophobicContact CD1-CE 3.88Å; I596-M806 HydrophobicContact CG1-CE 4.43Å; I596-M806 HydrophobicContact CG2-CE 3.78Å; I596-M806 HydrophobicContact CG2-CG 3.91Å; Y598-M806 HydrophobicContact CD1-CB 4.11Å; Y598-M806 HydrophobicContact CD1-CG 4.38Å; Y598-M806 HydrophobicContact CE1-CB 3.82Å; Y598-M806 HydrophobicContact CE1-CG 3.74Å; M806-R812 CarbonylContact O-C 3.55Å; M806-R812 WeakPolarHBondContact O-CA 3.46Å; M806-V813 HydrophobicContact CB-CG2 4.1Å; M806-V813 HydrophobicContact CG-CG2 3.77Å; M806-V813 WeakPolarHBondContact O-CG2 3.27Å; M806-V813 PolarHBondContact O-N 3.24Å; M806-V813 HydrophobicContact SD-CG2 3.93Å; M806-G814 PolarHBondContact N-O 2.87Å; M806-L844 HydrophobicContact CB-CD2 3.74Å; M806-Q860 HydrophobicContact SD-CB 4.01Å |
| 807 | I | 92.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.9 | -176.1 | -60.5 | 178.8 | 0 | 0 | 0 | 110.1 | I596 S597 E599 L609 Q811 | I596-I807 WeakPolarHBondContact CA-O 3.18Å; S597-I807 PolarHBondContact N-O 2.72Å; S597-I807 VanDerWaalsContact N-O 3.1Å; S597-I807 PolarHBondContact O-N 3.33Å; E599-I807 HydrophobicContact CB-CD1 3.45Å; E599-I807 VanDerWaalsContact CB-CD1 3.45Å; E599-I807 HydrophobicContact CB-CG1 4.27Å; E599-I807 HydrophobicContact CG-CD1 4.38Å; L609-I807 HydrophobicContact CD1-CB 4.47Å; L609-I807 HydrophobicContact CD1-CD1 3.44Å; L609-I807 VanDerWaalsContact CD1-CD1 3.44Å; L609-I807 HydrophobicContact CD1-CG1 3.65Å; L609-I807 HydrophobicContact CD1-CG2 4.06Å; L609-I807 HydrophobicContact CD2-CD1 4.26Å; L609-I807 HydrophobicContact CD2-CG2 4.41Å; L609-I807 HydrophobicContact CG-CD1 3.69Å; L609-I807 HydrophobicContact CG-CG1 4.43Å; I807-Q811 WeakPolarHBondContact CA-O 3.42Å |
| 808 | L | 91.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 130.2 | 170 | -176.5 | 58.3 | 0 | 0 | 0 | 108.2 | L589 K592 K594 P595 I596 R810 Q811 V813 | L589-L808 HydrophobicContact CD2-CD2 4.02Å; K592-L808 HydrophobicContact CD-CD2 3.97Å; K594-L808 HydrophobicContact CB-CD1 3.7Å; P595-L808 WeakPolarHBondContact O-CD1 3.25Å; I596-L808 HydrophobicContact CG1-CD1 3.94Å; L808-R810 PolarHBondContact O-N 2.84Å; L808-R810 VanDerWaalsContact O-N 3.16Å; L808-Q811 PolarHBondContact N-O 2.94Å; L808-Q811 PolarHBondContact O-N 2.92Å; L808-Q811 VanDerWaalsContact O-O 3.13Å; L808-V813 HydrophobicContact CB-CG1 3.88Å; L808-V813 HydrophobicContact CB-CG2 4.03Å |
| 809 | E | 87.9 | Confident | 91.2 | Very high | 113 Ų | 113 | 34.2 Ų | 34.2 | 53% | 0.528 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 35.4 | -180 | -57 | -170.5 | 88.8 | 0 | 0 | 114.7 | K594 Q811 | K594-E809 HydrophobicContact CD-CG 3.75Å; K594-E809 WeakPolarHBondContact CD-OE1 3.26Å; K594-E809 VanDerWaalsContact CD-OE2 3.23Å; K594-E809 WeakPolarHBondContact CD-OE2 3.34Å; K594-E809 IonicContact NZ-OE1 3.16Å; K594-E809 PolarHBondContact NZ-OE1 3.21Å; K594-E809 IonicContact NZ-OE2 3.41Å; K594-E809 PolarHBondContact NZ-OE2 2.86Å; E809-Q811 PolarHBondContact O-N 3.4Å |
| 810 | R | 83 | Confident | 91.2 | Very high | 218 Ų | 218 | 33.9 Ų | 33.9 | 82% | 0.823 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 18.7 | -173 | -53.7 | -179.2 | 178.1 | 177.6 | -0.8 | 114.9 | L609 L808 | L609-R810 HydrophobicContact CD2-CB 3.96Å; L808-R810 PolarHBondContact O-N 2.84Å; L808-R810 VanDerWaalsContact O-N 3.16Å |
| 811 | Q | 85.8 | Confident | 91.1 | Very high | 139 Ų | 139 | 37 Ų | 37 | 65% | 0.65 | 17% | 0.165 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.9 | 172 | -59.9 | -173.1 | -1.9 | 0 | 0 | 110.5 | I807 L808 E809 V813 | I807-Q811 WeakPolarHBondContact CA-O 3.42Å; L808-Q811 PolarHBondContact N-O 2.94Å; L808-Q811 PolarHBondContact O-N 2.92Å; L808-Q811 VanDerWaalsContact O-O 3.13Å; E809-Q811 PolarHBondContact O-N 3.4Å; Q811-V813 PolarHBondContact O-N 3.09Å |
| 812 | R | 86.5 | Confident | 91.1 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 108.5 | 174.6 | -62.7 | -179.5 | 178 | 128.3 | -11.9 | 108.9 | E599 N607 L609 D610 S805 M806 | E599-R812 IonicContact OE1-CZ 3.68Å; E599-R812 VanDerWaalsContact OE1-CZ 3.22Å; E599-R812 IonicContact OE1-NE 3.86Å; E599-R812 PolarHBondContact OE1-NE 3.04Å; E599-R812 IonicContact OE1-NH2 3.79Å; E599-R812 PolarHBondContact OE1-NH2 2.87Å; E599-R812 IonicContact OE2-NH2 3.84Å; N607-R812 PolarHBondContact OD1-NH2 2.89Å; N607-R812 VanDerWaalsContact OD1-NH2 3.09Å; L609-R812 HydrophobicContact CD1-CG 3.64Å; D610-R812 IonicContact OD1-CZ 3.54Å; D610-R812 IonicContact OD1-NH1 2.8Å; D610-R812 PolarHBondContact OD1-NH1 3.05Å; D610-R812 IonicContact OD2-CZ 2.72Å; D610-R812 VanDerWaalsContact OD2-CZ 3.25Å; D610-R812 IonicContact OD2-NH1 3.4Å; D610-R812 PolarHBondContact OD2-NH1 3.37Å; D610-R812 IonicContact OD2-NH2 2.76Å; D610-R812 PolarHBondContact OD2-NH2 3.48Å; S805-R812 WeakPolarHBondContact OG-CD 3.32Å; M806-R812 CarbonylContact O-C 3.55Å; M806-R812 WeakPolarHBondContact O-CA 3.46Å |
| 813 | V | 87.8 | Confident | 91 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -22.8 | -176.4 | -67 | 0 | 0 | 0 | 0 | 113.7 | L589 M806 L808 Q811 | L589-V813 HydrophobicContact CD1-CG2 4.17Å; L589-V813 HydrophobicContact CD2-CB 4.41Å; L589-V813 HydrophobicContact CD2-CG2 4.45Å; M806-V813 HydrophobicContact CB-CG2 4.1Å; M806-V813 HydrophobicContact CG-CG2 3.77Å; M806-V813 WeakPolarHBondContact O-CG2 3.27Å; M806-V813 PolarHBondContact O-N 3.24Å; M806-V813 HydrophobicContact SD-CG2 3.93Å; L808-V813 HydrophobicContact CB-CG1 3.88Å; L808-V813 HydrophobicContact CB-CG2 4.03Å; Q811-V813 PolarHBondContact O-N 3.09Å |
| 814 | G | 88.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 160 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S805 M806 R845 | S805-G814 WeakPolarHBondContact CA-O 3.25Å; M806-G814 PolarHBondContact N-O 2.87Å; G814-R845 CarbonylContact C-O 3.56Å; G814-R845 VanDerWaalsContact CA-O 3.23Å; G814-R845 WeakPolarHBondContact CA-O 3.05Å |
| 815 | F | 88.9 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.2 | -179.4 | 85.4 | -68.7 | 0 | 0 | 0 | 112.7 | T207 V531 F803 I804 R817 L844 R845 Q847 | T207-F815 HydrophobicContact CG2-CE1 4.11Å; T207-F815 HydrophobicContact CG2-CZ 4.09Å; V531-F815 HydrophobicContact CB-CD1 4.42Å; V531-F815 HydrophobicContact CB-CD2 4.06Å; V531-F815 HydrophobicContact CB-CE1 4.3Å; V531-F815 HydrophobicContact CB-CE2 3.92Å; V531-F815 HydrophobicContact CB-CG 4.33Å; V531-F815 HydrophobicContact CB-CZ 4.06Å; V531-F815 HydrophobicContact CG1-CD1 4.3Å; V531-F815 HydrophobicContact CG1-CD2 4.39Å; V531-F815 HydrophobicContact CG1-CE1 3.73Å; V531-F815 HydrophobicContact CG1-CE2 3.83Å; V531-F815 HydrophobicContact CG1-CZ 3.47Å; V531-F815 VanDerWaalsContact CG1-CZ 3.47Å; F803-F815 HydrophobicContact CD1-CD2 4.42Å; I804-F815 CarbonylContact O-C 3.47Å; I804-F815 VanDerWaalsContact O-CA 3.31Å; I804-F815 WeakPolarHBondContact O-CA 3.36Å; F815-R817 HydrophobicContact CE2-CB 4.4Å; F815-L844 WeakPolarHBondContact O-CA 3.5Å; F815-R845 WeakPolarHBondContact CD1-O 3.04Å; F815-R845 PolarHBondContact N-O 3.31Å; F815-R845 PolarHBondContact O-N 3.45Å; F815-Q847 HydrophobicContact CD1-CG 3.61Å; F815-Q847 HydrophobicContact CE1-CG 4.13Å; F815-Q847 HydrophobicContact CG-CG 4.31Å |
| 816 | V | 90.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.5 | 160 | 60.3 | 0 | 0 | 0 | 0 | 109.2 | F803 I804 L842 L844 | F803-V816 WeakPolarHBondContact CA-O 3.2Å; I804-V816 HydrophobicContact CB-CG1 3.83Å; I804-V816 HydrophobicContact CD1-CG1 4.49Å; I804-V816 HydrophobicContact CG1-CG1 4.49Å; I804-V816 PolarHBondContact N-O 3.29Å; I804-V816 PolarHBondContact O-N 3.01Å; V816-L842 HydrophobicContact CG1-CB 4.35Å; V816-L842 HydrophobicContact CG1-CD1 4.13Å; V816-L844 HydrophobicContact CB-CD1 4.49Å; V816-L844 HydrophobicContact CB-CG 4.32Å; V816-L844 HydrophobicContact CG1-CD1 3.93Å; V816-L844 HydrophobicContact CG1-CG 4.04Å |
| 817 | R | 91.4 | Very high | 90.8 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.4 | 176.4 | 177.8 | 179.7 | 170.2 | -171.9 | -10.2 | 109.2 | Y505 G530 D801 F803 F815 | Y505-R817 VanDerWaalsContact CE2-NH2 3.34Å; G530-R817 WeakPolarHBondContact O-CD 3.41Å; G530-R817 PolarHBondContact O-NH1 2.87Å; D801-R817 HydrophobicContact CB-CG 4.14Å; D801-R817 IonicContact OD2-CZ 3.41Å; D801-R817 IonicContact OD2-NE 3.81Å; D801-R817 PolarHBondContact OD2-NE 2.71Å; D801-R817 IonicContact OD2-NH2 3.24Å; D801-R817 PolarHBondContact OD2-NH2 2.71Å; F803-R817 HydrophobicContact CD1-CB 3.93Å; F803-R817 HydrophobicContact CD1-CG 4.18Å; F803-R817 HydrophobicContact CE1-CB 3.67Å; F803-R817 HydrophobicContact CE1-CG 3.6Å; F803-R817 HydrophobicContact CE2-CG 4.44Å; F803-R817 HydrophobicContact CZ-CB 4.34Å; F803-R817 HydrophobicContact CZ-CG 3.75Å; F815-R817 HydrophobicContact CE2-CB 4.4Å |
| 818 | I | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 115.5 | -174.1 | -52.6 | 174.6 | 0 | 0 | 0 | 107.8 | V802 I804 A820 I823 W835 L842 L867 | V802-I818 HydrophobicContact CB-CB 4.37Å; V802-I818 PolarHBondContact N-O 2.78Å; V802-I818 PolarHBondContact O-N 2.96Å; I804-I818 HydrophobicContact CD1-CD1 3.85Å; I804-I818 HydrophobicContact CG1-CD1 4.31Å; I818-A820 PolarHBondContact O-N 2.73Å; I818-I823 HydrophobicContact CG2-CD1 4.28Å; I818-I823 HydrophobicContact CG2-CG1 4.33Å; I818-I823 HydrophobicContact CG2-CG2 3.76Å; I818-W835 HydrophobicContact CG2-CE3 4.15Å; I818-W835 HydrophobicContact CG2-CZ3 4.23Å; I818-L842 HydrophobicContact CD1-CD1 3.56Å; I818-L842 HydrophobicContact CG1-CD1 4.29Å; I818-L867 HydrophobicContact CD1-CD1 3.84Å |
| 819 | P | 93.6 | Very high | 90.4 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | trans | -59.1 | 132.2 | 175.9 | -22.5 | 33.3 | 0 | 0 | 0 | 110.8 | D801 R821 D822 | D801-P819 WeakPolarHBondContact OD1-CA 3.5Å; P819-R821 HydrophobicContact CB-CG 4.39Å; P819-R821 PolarHBondContact O-N 2.72Å; P819-R821 VanDerWaalsContact O-N 3.12Å; P819-D822 HydrophobicContact CB-CB 4.44Å; P819-D822 WeakPolarHBondContact O-CB 3.37Å; P819-D822 PolarHBondContact O-N 3.1Å | ||
| 820 | A | 94.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -57.8 | -34.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L799 I818 D822 I823 Y824 L869 | L799-A820 HydrophobicContact CB-CB 3.79Å; I818-A820 PolarHBondContact O-N 2.73Å; A820-D822 VanDerWaalsContact C-N 3.28Å; A820-D822 PolarHBondContact O-N 3.1Å; A820-I823 WeakPolarHBondContact O-CG1 3.42Å; A820-I823 PolarHBondContact O-N 2.87Å; A820-Y824 WeakPolarHBondContact O-CB 3.36Å; A820-Y824 PolarHBondContact O-N 2.76Å; A820-L869 HydrophobicContact CB-CD2 3.94Å |
| 821 | R | 93.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -60.5 | -34.3 | 176.6 | 79.9 | -173.8 | -166.1 | 168.8 | 18.6 | 112.8 | M677 N681 E684 P819 I823 Y824 G833 | M677-R821 HydrophobicContact CB-CB 3.81Å; M677-R821 HydrophobicContact CG-CB 3.9Å; N681-R821 PolarHBondContact ND2-O 3.41Å; N681-R821 PolarHBondContact OD1-O 3.01Å; E684-R821 IonicContact OE1-NH2 2.72Å; E684-R821 IonicContact OE2-CZ 3.16Å; E684-R821 IonicContact OE2-NE 3.18Å; E684-R821 IonicContact OE2-NH2 2.68Å; E684-R821 PolarHBondContact OE2-NH2 3.03Å; P819-R821 HydrophobicContact CB-CG 4.39Å; P819-R821 PolarHBondContact O-N 2.72Å; P819-R821 VanDerWaalsContact O-N 3.12Å; R821-I823 PolarHBondContact O-N 2.82Å; R821-Y824 WeakPolarHBondContact O-CB 3.41Å; R821-Y824 PolarHBondContact O-N 2.78Å; R821-Y824 VanDerWaalsContact O-N 3.17Å; R821-G833 WeakPolarHBondContact O-CA 3.46Å |
| 822 | D | 93.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -72.4 | -20.9 | -171.6 | -68.5 | 20.9 | 0 | 0 | 0 | 111.6 | P819 A820 G833 K834 W835 S836 | P819-D822 HydrophobicContact CB-CB 4.44Å; P819-D822 WeakPolarHBondContact O-CB 3.37Å; P819-D822 PolarHBondContact O-N 3.1Å; A820-D822 VanDerWaalsContact C-N 3.28Å; A820-D822 PolarHBondContact O-N 3.1Å; D822-G833 CarbonylContact O-C 3.59Å; D822-G833 VanDerWaalsContact O-CA 3.23Å; D822-G833 WeakPolarHBondContact O-CA 3.5Å; D822-K834 HydrophobicContact CB-CG 4.44Å; D822-K834 PolarHBondContact O-N 3.22Å; D822-K834 IonicContact OD1-NZ 2.71Å; D822-K834 WeakPolarHBondContact OD2-CE 3.3Å; D822-K834 IonicContact OD2-NZ 3.29Å; D822-K834 PolarHBondContact OD2-NZ 3.12Å; D822-W835 HydrophobicContact CB-CE3 4.07Å; D822-W835 HydrophobicContact CB-CZ3 4.36Å; D822-W835 PolarHBondContact O-N 3.01Å; D822-S836 PolarHBondContact O-N 3.29Å |
| 823 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -112.7 | 6.4 | 174.3 | 56 | 170.1 | 0 | 0 | 0 | 113.2 | L575 V802 I818 A820 R821 W835 S836 L867 L869 | L575-I823 HydrophobicContact CD1-CD1 3.9Å; V802-I823 HydrophobicContact CB-CD1 4.15Å; V802-I823 HydrophobicContact CG2-CD1 3.87Å; I818-I823 HydrophobicContact CG2-CD1 4.28Å; I818-I823 HydrophobicContact CG2-CG1 4.33Å; I818-I823 HydrophobicContact CG2-CG2 3.76Å; A820-I823 WeakPolarHBondContact O-CG1 3.42Å; A820-I823 PolarHBondContact O-N 2.87Å; R821-I823 PolarHBondContact O-N 2.82Å; I823-W835 HydrophobicContact CG2-CB 3.97Å; I823-S836 WeakPolarHBondContact O-CB 3.42Å; I823-L867 HydrophobicContact CB-CB 4.48Å; I823-L867 HydrophobicContact CG2-CB 3.82Å; I823-L867 HydrophobicContact CG2-CD1 3.97Å; I823-L867 HydrophobicContact CG2-CG 4.47Å; I823-L869 HydrophobicContact CD1-CB 3.97Å; I823-L869 HydrophobicContact CD1-CD2 4.2Å; I823-L869 HydrophobicContact CG1-CB 3.95Å; I823-L869 HydrophobicContact CG1-CD2 4.18Å; I823-L869 PolarHBondContact O-N 3.02Å; I823-L869 VanDerWaalsContact O-N 3.08Å |
| 824 | Y | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -76.4 | 128.5 | -174.1 | -177 | -96.4 | 0 | 0 | 0 | 113.3 | Y573 R674 M677 A820 R821 R832 G833 S836 L869 | Y573-Y824 AromaticContact CE1-CE2 3.99Å; Y573-Y824 HydrophobicContact CE1-CE2 3.99Å; R674-Y824 WeakPolarHBondContact CD-OH 3.49Å; R674-Y824 HydrophobicContact CG-CE1 4.01Å; R674-Y824 HydrophobicContact CG-CE2 4.28Å; M677-Y824 HydrophobicContact CB-CD1 4.46Å; M677-Y824 HydrophobicContact CE-CD1 4.25Å; M677-Y824 HydrophobicContact CE-CD2 3.57Å; M677-Y824 HydrophobicContact CE-CE2 3.86Å; M677-Y824 HydrophobicContact CE-CG 3.83Å; M677-Y824 HydrophobicContact SD-CD2 4.16Å; M677-Y824 HydrophobicContact SD-CG 4.15Å; A820-Y824 WeakPolarHBondContact O-CB 3.36Å; A820-Y824 PolarHBondContact O-N 2.76Å; R821-Y824 WeakPolarHBondContact O-CB 3.41Å; R821-Y824 PolarHBondContact O-N 2.78Å; R821-Y824 VanDerWaalsContact O-N 3.17Å; Y824-R832 CarbonylContact O-C 3.55Å; Y824-R832 WeakPolarHBondContact O-CA 3.37Å; Y824-G833 PolarHBondContact O-N 2.82Å; Y824-S836 WeakPolarHBondContact O-CB 3.45Å; Y824-S836 PolarHBondContact O-OG 3.25Å; Y824-L869 CarbonylContact C-O 3.5Å; Y824-L869 WeakPolarHBondContact CA-O 3.17Å |
| 825 | Y | 94.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 35 Ų | 35 | 11% | 0.114 | 18% | 0.181 | C | C | . | . | trans | -89.8 | 126.3 | -179.1 | 176.9 | -94.2 | 0 | 0 | 0 | 113.2 | S836 W868 L869 D874 S877 | Y825-S836 WeakPolarHBondContact CA-OG 3.44Å; Y825-W868 HydrophobicContact CD1-CH2 4.41Å; Y825-W868 AromaticContact CD1-CZ2 3.52Å; Y825-W868 HydrophobicContact CD1-CZ2 3.52Å; Y825-W868 AromaticContact CD2-CE2 3.97Å; Y825-W868 HydrophobicContact CD2-CZ2 4.26Å; Y825-W868 AromaticContact CD2-NE1 3.26Å; Y825-W868 VanDerWaalsContact CD2-NE1 3.26Å; Y825-W868 HydrophobicContact CE1-CZ2 4.16Å; Y825-W868 AromaticContact CE2-NE1 3.94Å; Y825-W868 AromaticContact CG-CE2 3.6Å; Y825-W868 AromaticContact CG-CZ2 3.58Å; Y825-W868 HydrophobicContact CG-CZ2 3.58Å; Y825-W868 AromaticContact CG-NE1 3.38Å; Y825-L869 PolarHBondContact N-O 3.38Å; Y825-D874 HydrophobicContact CD1-CB 4.04Å; Y825-D874 HydrophobicContact CE1-CB 3.97Å; Y825-S877 VanDerWaalsContact CZ-CB 3.48Å; Y825-S877 WeakPolarHBondContact OH-CB 3.44Å; Y825-S877 PolarHBondContact OH-OG 2.78Å; Y825-S877 VanDerWaalsContact OH-OG 3.07Å | ||
| 826 | S | 92.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | trans | -123.1 | 153.9 | 160.9 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | V828 E831 R832 | S826-V828 PolarHBondContact O-N 2.92Å; S826-V828 PolarHBondContact OG-N 2.81Å; S826-E831 WeakPolarHBondContact CB-OE2 3.36Å; S826-E831 PolarHBondContact OG-OE2 2.71Å; S826-R832 WeakPolarHBondContact O-CD 3.16Å; S826-R832 WeakPolarHBondContact O-CG 3.35Å; S826-R832 PolarHBondContact O-NE 2.96Å | ||
| 827 | A | 87.9 | Confident | 91.5 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 58% | 0.579 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -60.4 | -30.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R832 | A827-R832 PolarHBondContact O-NH2 3.47Š|
| 828 | V | 89.2 | Confident | 91.3 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 40% | 0.4 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -84.8 | 122.4 | -177.9 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | S826 C830 E831 R832 | S826-V828 PolarHBondContact O-N 2.92Å; S826-V828 PolarHBondContact OG-N 2.81Å; V828-C830 VanDerWaalsContact C-N 3.34Å; V828-C830 VanDerWaalsContact CG1-SG 3.54Å; V828-C830 PolarHBondContact O-N 2.98Å; V828-E831 HydrophobicContact CB-CB 4.26Å; V828-E831 HydrophobicContact CB-CG 4.01Å; V828-E831 HydrophobicContact CG1-CG 4.35Å; V828-E831 PolarHBondContact O-N 2.99Å; V828-R832 PolarHBondContact O-N 3.03Å |
| 829 | D | 86.2 | Confident | 91 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.8 | -175.1 | -75.2 | -87.5 | 0 | 0 | 0 | 115.3 | K685 E831 R832 | K685-D829 PolarHBondContact NZ-O 3.29Å; D829-E831 VanDerWaalsContact C-N 3.32Å; D829-E831 PolarHBondContact O-N 3.23Å; D829-R832 VanDerWaalsContact CG-CZ 3.47Å; D829-R832 IonicContact OD1-CZ 2.66Å; D829-R832 IonicContact OD1-NH1 2.85Å; D829-R832 PolarHBondContact OD1-NH1 2.95Å; D829-R832 IonicContact OD1-NH2 2.73Å; D829-R832 PolarHBondContact OD1-NH2 2.71Å; D829-R832 IonicContact OD2-CZ 2.96Å; D829-R832 IonicContact OD2-NH1 2.73Å; D829-R832 IonicContact OD2-NH2 2.74Å; D829-R832 PolarHBondContact OD2-NH2 2.8Å |
| 830 | C | 89.4 | Confident | 90.7 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 27% | 0.27 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.5 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | N681 I682 V828 | N681-C830 CarbonylContact C-O 3.6Å; I682-C830 WeakPolarHBondContact CA-O 3.41Å; I682-C830 HydrophobicContact CG1-CB 4.12Å; I682-C830 WeakPolarHBondContact CG1-O 3.21Å; I682-C830 PolarHBondContact N-O 2.91Å; V828-C830 VanDerWaalsContact C-N 3.34Å; V828-C830 VanDerWaalsContact CG1-SG 3.54Å; V828-C830 PolarHBondContact O-N 2.98Å |
| 831 | E | 92.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -23.7 | 179.9 | -68.1 | -173.7 | 179.7 | 0 | 0 | 113.7 | C678 N681 I682 S826 V828 D829 | C678-E831 HydrophobicContact CB-CB 3.93Å; C678-E831 HydrophobicContact CB-CG 3.86Å; C678-E831 PolarHBondContact SG-OE2 2.7Å; C678-E831 VanDerWaalsContact SG-OE2 3.4Å; N681-E831 VanDerWaalsContact CB-O 3.29Å; N681-E831 WeakPolarHBondContact CB-O 3.4Å; N681-E831 PolarHBondContact ND2-O 3.05Å; I682-E831 HydrophobicContact CD1-CG 4.03Å; I682-E831 HydrophobicContact CG1-CG 4.33Å; S826-E831 WeakPolarHBondContact CB-OE2 3.36Å; S826-E831 PolarHBondContact OG-OE2 2.71Å; V828-E831 HydrophobicContact CB-CB 4.26Å; V828-E831 HydrophobicContact CB-CG 4.01Å; V828-E831 HydrophobicContact CG1-CG 4.35Å; V828-E831 PolarHBondContact O-N 2.99Å; D829-E831 VanDerWaalsContact C-N 3.32Å; D829-E831 PolarHBondContact O-N 3.23Å |
| 832 | R | 92.8 | Very high | 89.9 | Confident | 64 Ų | 64 | 36.4 Ų | 36.4 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -59.8 | 145.3 | -179.4 | -65.5 | 178.3 | -156.7 | 148.6 | 15.1 | 111.5 | K685 Y824 S826 A827 V828 D829 | K685-R832 WeakPolarHBondContact CE-O 3.35Å; K685-R832 PolarHBondContact NZ-O 3.15Å; Y824-R832 CarbonylContact O-C 3.55Å; Y824-R832 WeakPolarHBondContact O-CA 3.37Å; S826-R832 WeakPolarHBondContact O-CD 3.16Å; S826-R832 WeakPolarHBondContact O-CG 3.35Å; S826-R832 PolarHBondContact O-NE 2.96Å; A827-R832 PolarHBondContact O-NH2 3.47Å; V828-R832 PolarHBondContact O-N 3.03Å; D829-R832 VanDerWaalsContact CG-CZ 3.47Å; D829-R832 IonicContact OD1-CZ 2.66Å; D829-R832 IonicContact OD1-NH1 2.85Å; D829-R832 PolarHBondContact OD1-NH1 2.95Å; D829-R832 IonicContact OD1-NH2 2.73Å; D829-R832 PolarHBondContact OD1-NH2 2.71Å; D829-R832 IonicContact OD2-CZ 2.96Å; D829-R832 IonicContact OD2-NH1 2.73Å; D829-R832 IonicContact OD2-NH2 2.74Å; D829-R832 PolarHBondContact OD2-NH2 2.8Å |
| 833 | G | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -61.5 | 154.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N681 R821 D822 Y824 W835 S836 | N681-G833 WeakPolarHBondContact ND2-CA 3.4Å; N681-G833 PolarHBondContact ND2-N 2.84Å; R821-G833 WeakPolarHBondContact O-CA 3.46Å; D822-G833 CarbonylContact O-C 3.59Å; D822-G833 VanDerWaalsContact O-CA 3.23Å; D822-G833 WeakPolarHBondContact O-CA 3.5Å; Y824-G833 PolarHBondContact O-N 2.82Å; G833-W835 VanDerWaalsContact C-N 3.26Å; G833-W835 PolarHBondContact O-N 3.03Å; G833-S836 VanDerWaalsContact O-CB 3.29Å; G833-S836 WeakPolarHBondContact O-CB 3.47Å; G833-S836 PolarHBondContact O-N 2.95Å; G833-S836 VanDerWaalsContact O-N 3.11Å | ||
| 834 | K | 88.5 | Confident | 89.2 | Confident | 53 Ų | 53 | 36.5 Ų | 36.5 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.8 | -177.5 | 65.2 | -165.1 | -178.9 | -133.4 | 0 | 114.7 | E684 D822 | E684-K834 IonicContact OE1-NZ 3.21Å; E684-K834 PolarHBondContact OE1-NZ 2.79Å; E684-K834 IonicContact OE2-NZ 2.71Å; D822-K834 HydrophobicContact CB-CG 4.44Å; D822-K834 PolarHBondContact O-N 3.22Å; D822-K834 IonicContact OD1-NZ 2.71Å; D822-K834 WeakPolarHBondContact OD2-CE 3.3Å; D822-K834 IonicContact OD2-NZ 3.29Å; D822-K834 PolarHBondContact OD2-NZ 3.12Å |
| 835 | W | 88.2 | Confident | 88.5 | Confident | 83 Ų | 83 | 37 Ų | 37 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 4.7 | 173.9 | -57.9 | -40.5 | 0 | 0 | 0 | 113 | I818 D822 I823 G833 G837 Q838 A840 | I818-W835 HydrophobicContact CG2-CE3 4.15Å; I818-W835 HydrophobicContact CG2-CZ3 4.23Å; D822-W835 HydrophobicContact CB-CE3 4.07Å; D822-W835 HydrophobicContact CB-CZ3 4.36Å; D822-W835 PolarHBondContact O-N 3.01Å; I823-W835 HydrophobicContact CG2-CB 3.97Å; G833-W835 VanDerWaalsContact C-N 3.26Å; G833-W835 PolarHBondContact O-N 3.03Å; W835-G837 PolarHBondContact O-N 3.42Å; W835-G837 VanDerWaalsContact O-N 3.11Å; W835-Q838 PolarHBondContact O-N 3.02Å; W835-A840 HydrophobicContact CB-CB 4.39Å; W835-A840 HydrophobicContact CG-CB 4.09Å |
| 836 | S | 92.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 109.3 | 179.4 | 167 | 0 | 0 | 0 | 0 | 111.3 | D822 I823 Y824 Y825 G833 | D822-S836 PolarHBondContact O-N 3.29Å; I823-S836 WeakPolarHBondContact O-CB 3.42Å; Y824-S836 WeakPolarHBondContact O-CB 3.45Å; Y824-S836 PolarHBondContact O-OG 3.25Å; Y825-S836 WeakPolarHBondContact CA-OG 3.44Å; G833-S836 VanDerWaalsContact O-CB 3.29Å; G833-S836 WeakPolarHBondContact O-CB 3.47Å; G833-S836 PolarHBondContact O-N 2.95Å; G833-S836 VanDerWaalsContact O-N 3.11Å |
| 837 | G | 87.3 | Confident | 87 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 28.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W835 Y866 L867 | W835-G837 PolarHBondContact O-N 3.42Å; W835-G837 VanDerWaalsContact O-N 3.11Å; G837-Y866 WeakPolarHBondContact CA-OH 3.47Å; G837-Y866 VanDerWaalsContact O-CE2 3.23Å; G837-Y866 WeakPolarHBondContact O-CE2 3.27Å; G837-Y866 PolarHBondContact O-OH 2.91Å; G837-L867 WeakPolarHBondContact CA-O 3.37Å; G837-L867 PolarHBondContact N-O 3.4Å |
| 838 | Q | 86.5 | Confident | 86 | Confident | 114 Ų | 114 | 36.9 Ų | 36.9 | 53% | 0.533 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 165.6 | 178.2 | -61.6 | -176.3 | 40 | 0 | 0 | 110.9 | W835 Y866 L867 | W835-Q838 PolarHBondContact O-N 3.02Å; Q838-Y866 WeakPolarHBondContact O-CD2 3.45Å; Q838-L867 PolarHBondContact O-N 2.93Å |
| 839 | M | 87.5 | Confident | 84.8 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.9 | 172.7 | -170.8 | 63.1 | 66.8 | 0 | 0 | 110.2 | R864 Y866 P883 | M839-R864 HydrophobicContact CG-CG 3.91Å; M839-R864 HydrophobicContact SD-CG 3.97Å; M839-Y866 PolarHBondContact SD-N 3.41Å; M839-P883 HydrophobicContact CE-CG 3.6Å |
| 840 | A | 86.4 | Confident | 83.7 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W835 R864 I865 | W835-A840 HydrophobicContact CB-CB 4.39Å; W835-A840 HydrophobicContact CG-CB 4.09Å; A840-R864 WeakPolarHBondContact O-CA 3.39Å; A840-I865 PolarHBondContact N-O 3.26Å; A840-I865 PolarHBondContact O-N 3.39Å |
| 841 | T | 84.9 | Confident | 82.2 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.5 | 163.9 | -41.6 | 0 | 0 | 0 | 0 | 109.3 | Y843 Q862 I863 E978 | T841-Y843 HydrophobicContact CG2-CE1 4.25Å; T841-Y843 HydrophobicContact CG2-CE2 3.92Å; T841-Y843 WeakPolarHBondContact CG2-OH 3.25Å; T841-Q862 HydrophobicContact CG2-CG 3.64Å; T841-I863 WeakPolarHBondContact CA-O 3.45Å; T841-E978 WeakPolarHBondContact CB-OE2 3.22Å; T841-E978 VanDerWaalsContact CG2-OE2 3.25Å; T841-E978 WeakPolarHBondContact CG2-OE2 3.4Å; T841-E978 PolarHBondContact OG1-OE2 2.91Å |
| 842 | L | 87.2 | Confident | 80.3 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.6 | 176 | -58.8 | 177.8 | 0 | 0 | 0 | 110.6 | I804 V816 I818 I863 I865 L867 | I804-L842 HydrophobicContact CD1-CD1 4Å; V816-L842 HydrophobicContact CG1-CB 4.35Å; V816-L842 HydrophobicContact CG1-CD1 4.13Å; I818-L842 HydrophobicContact CD1-CD1 3.56Å; I818-L842 HydrophobicContact CG1-CD1 4.29Å; L842-I863 HydrophobicContact CB-CD1 4.37Å; L842-I863 HydrophobicContact CB-CG1 3.89Å; L842-I863 HydrophobicContact CD1-CD1 4.49Å; L842-I863 PolarHBondContact N-O 2.87Å; L842-I863 PolarHBondContact O-N 2.77Å; L842-I865 HydrophobicContact CD1-CG2 3.79Å; L842-I865 HydrophobicContact CG-CG2 4.16Å; L842-L867 HydrophobicContact CD1-CD1 4.15Å |
| 843 | Y | 85 | Confident | 78.3 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 112.6 | -177.4 | -61.3 | -79.4 | 0 | 0 | 0 | 110 | M203 T841 I859 Q862 E978 I980 F999 | M203-Y843 HydrophobicContact CE-CE2 4.23Å; T841-Y843 HydrophobicContact CG2-CE1 4.25Å; T841-Y843 HydrophobicContact CG2-CE2 3.92Å; T841-Y843 WeakPolarHBondContact CG2-OH 3.25Å; Y843-I859 HydrophobicContact CD1-CD1 3.81Å; Y843-I859 HydrophobicContact CD1-CG2 4.21Å; Y843-I859 HydrophobicContact CG-CD1 4.19Å; Y843-Q862 HydrophobicContact CD1-CB 3.9Å; Y843-Q862 HydrophobicContact CD1-CG 4.03Å; Y843-Q862 HydrophobicContact CE1-CB 3.79Å; Y843-Q862 HydrophobicContact CE1-CG 3.53Å; Y843-E978 VanDerWaalsContact OH-CD 3.29Å; Y843-E978 PolarHBondContact OH-OE2 2.98Å; Y843-I980 HydrophobicContact CE1-CD1 3.82Å; Y843-F999 AromaticContact CE1-CE1 3.84Å; Y843-F999 HydrophobicContact CE1-CE1 3.84Å; Y843-F999 HydrophobicContact CE2-CD1 4.34Å; Y843-F999 AromaticContact CE2-CE1 3.8Å; Y843-F999 HydrophobicContact CE2-CE1 3.8Å; Y843-F999 HydrophobicContact CE2-CZ 4.32Å; Y843-F999 AromaticContact CZ-CD1 3.93Å; Y843-F999 AromaticContact CZ-CE1 3.37Å; Y843-F999 WeakPolarHBondContact OH-CD1 3.45Å; Y843-F999 VanDerWaalsContact OH-CE1 3.32Å; Y843-F999 WeakPolarHBondContact OH-CE1 3.47Å |
| 844 | L | 87.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.1 | -178.1 | -78.5 | 74.3 | 0 | 0 | 0 | 109.5 | Y598 M806 F815 V816 Q860 S861 I863 | Y598-L844 HydrophobicContact CD1-CD2 4.06Å; Y598-L844 HydrophobicContact CE1-CD2 3.94Å; M806-L844 HydrophobicContact CB-CD2 3.74Å; F815-L844 WeakPolarHBondContact O-CA 3.5Å; V816-L844 HydrophobicContact CB-CD1 4.49Å; V816-L844 HydrophobicContact CB-CG 4.32Å; V816-L844 HydrophobicContact CG1-CD1 3.93Å; V816-L844 HydrophobicContact CG1-CG 4.04Å; L844-Q860 PolarHBondContact O-N 3.19Å; L844-S861 PolarHBondContact N-O 2.98Å; L844-I863 HydrophobicContact CD1-CD1 3.74Å; L844-I863 HydrophobicContact CD1-CG1 3.72Å; L844-I863 HydrophobicContact CD1-CG2 4.15Å |
| 845 | R | 81.4 | Confident | 74.5 | Confident | 14 Ų | 14 | 53 Ų | 53 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -106.9 | 160.3 | -176.5 | -71.5 | 169.4 | -73.3 | 143.2 | 15.2 | 110.7 | L204 G205 T207 E529 G814 F815 | L204-R845 HydrophobicContact CD1-CG 4.31Å; L204-R845 HydrophobicContact CD2-CG 4.45Å; G205-R845 PolarHBondContact O-NH1 2.89Å; T207-R845 HydrophobicContact CG2-CB 4.29Å; E529-R845 VanDerWaalsContact CD-NH2 3.26Å; E529-R845 IonicContact OE1-CZ 3.69Å; E529-R845 IonicContact OE1-NH2 3.1Å; E529-R845 PolarHBondContact OE1-NH2 3.49Å; E529-R845 IonicContact OE2-CZ 3.82Å; E529-R845 VanDerWaalsContact OE2-CZ 3.22Å; E529-R845 IonicContact OE2-NH1 3.84Å; E529-R845 PolarHBondContact OE2-NH1 2.93Å; E529-R845 IonicContact OE2-NH2 2.74Å; E529-R845 PolarHBondContact OE2-NH2 3.05Å; G814-R845 CarbonylContact C-O 3.56Å; G814-R845 VanDerWaalsContact CA-O 3.23Å; G814-R845 WeakPolarHBondContact CA-O 3.05Å; F815-R845 WeakPolarHBondContact CD1-O 3.04Å; F815-R845 PolarHBondContact N-O 3.31Å; F815-R845 PolarHBondContact O-N 3.45Å |
| 846 | K | 80.2 | Confident | 72.8 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | trans | -67.1 | 151 | 167.3 | -69.7 | -172.4 | 158.7 | -163.7 | 0 | 111.2 | E850 Q860 | K846-E850 HydrophobicContact CB-CB 4.02Å; K846-E850 HydrophobicContact CD-CB 3.83Å; K846-E850 VanDerWaalsContact CD-OE2 3.26Å; K846-E850 WeakPolarHBondContact CD-OE2 2.99Å; K846-E850 WeakPolarHBondContact CE-OE2 3.3Å; K846-E850 IonicContact NZ-OE2 3.89Å; K846-E850 PolarHBondContact NZ-OE2 3.5Å; K846-Q860 VanDerWaalsContact CE-OE1 3.27Å; K846-Q860 HydrophobicContact CG-CG 3.62Å | ||
| 847 | Q | 74.4 | Confident | 71 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -79.4 | 142 | 178.5 | -63.4 | 179.5 | 10.6 | 0 | 0 | 111.5 | P508 V531 F815 | P508-Q847 VanDerWaalsContact CG-OE1 3.24Å; V531-Q847 HydrophobicContact CB-CG 4.21Å; V531-Q847 HydrophobicContact CG1-CB 4.31Å; V531-Q847 HydrophobicContact CG1-CG 4.26Å; V531-Q847 HydrophobicContact CG2-CB 4.49Å; V531-Q847 HydrophobicContact CG2-CG 4.18Å; F815-Q847 HydrophobicContact CD1-CG 3.61Å; F815-Q847 HydrophobicContact CE1-CG 4.13Å; F815-Q847 HydrophobicContact CG-CG 4.31Å |
| 848 | G | 67 | Low | 69.9 | Low | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | 64.2 | -151 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T207 E850 G851 | T207-G848 PolarHBondContact OG1-O 2.91Å; T207-G848 VanDerWaalsContact OG1-O 3.06Å; G848-E850 PolarHBondContact O-N 2.93Å; G848-G851 PolarHBondContact O-N 2.84Å |
| 849 | R | 64.5 | Low | 69.4 | Low | 171 Ų | 171 | 50.2 Ų | 50.2 | 65% | 0.645 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -59.1 | -22 | -168.2 | -69.4 | -172 | 174.7 | -167 | -5.1 | 115.4 | I208 E522 G851 V852 | I208-R849 HydrophobicContact CD1-CG 3.85Å; E522-R849 VanDerWaalsContact CD-NH2 3.31Å; E522-R849 IonicContact OE1-CZ 3.99Å; E522-R849 IonicContact OE1-NE 3.66Å; E522-R849 PolarHBondContact OE1-NE 2.84Å; E522-R849 IonicContact OE1-NH2 3.21Å; E522-R849 PolarHBondContact OE1-NH2 2.77Å; E522-R849 IonicContact OE2-CZ 2.92Å; E522-R849 IonicContact OE2-NE 3.89Å; E522-R849 PolarHBondContact OE2-NE 3.33Å; E522-R849 IonicContact OE2-NH2 3.83Å; E522-R849 PolarHBondContact OE2-NH2 3.15Å; R849-G851 PolarHBondContact O-N 2.82Å; R849-V852 PolarHBondContact O-N 3Å |
| 850 | E | 63.2 | Low | 69.2 | Low | 119 Ų | 119 | 48.8 Ų | 48.8 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -67.5 | -18.8 | 174.3 | -68.4 | -163.9 | -165.1 | 0 | 0 | 113 | K846 G848 | K846-E850 HydrophobicContact CB-CB 4.02Å; K846-E850 HydrophobicContact CD-CB 3.83Å; K846-E850 VanDerWaalsContact CD-OE2 3.26Å; K846-E850 WeakPolarHBondContact CD-OE2 2.99Å; K846-E850 WeakPolarHBondContact CE-OE2 3.3Å; K846-E850 IonicContact NZ-OE2 3.89Å; K846-E850 PolarHBondContact NZ-OE2 3.5Å; G848-E850 PolarHBondContact O-N 2.93Å |
| 851 | G | 57 | Low | 69.3 | Low | 8 Ų | 8 | 48.5 Ų | 48.5 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -93.2 | 26.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | T207 G848 R849 G856 | T207-G851 VanDerWaalsContact OG1-C 3.23Å; T207-G851 WeakPolarHBondContact OG1-CA 3.12Å; T207-G851 PolarHBondContact OG1-O 3.05Å; G848-G851 PolarHBondContact O-N 2.84Å; R849-G851 PolarHBondContact O-N 2.82Å; G851-G856 VanDerWaalsContact C-CA 3.41Å |
| 852 | V | 53.1 | Low | 69.5 | Low | 37 Ų | 37 | 47.8 Ų | 47.8 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -133.7 | 147.7 | -174.5 | -173 | 0 | 0 | 0 | 0 | 113.4 | T207 I208 R849 G856 | T207-V852 VanDerWaalsContact OG1-CG2 3.26Å; T207-V852 WeakPolarHBondContact OG1-CG2 3.39Å; I208-V852 HydrophobicContact CB-CG2 3.99Å; I208-V852 WeakPolarHBondContact O-CG1 3.4Å; I208-V852 WeakPolarHBondContact O-CG2 3.19Å; R849-V852 PolarHBondContact O-N 3Å; V852-G856 VanDerWaalsContact N-CA 3.29Å; V852-G856 PolarHBondContact O-N 3.43Å |
| 853 | G | 48.9 | Very low | 69.7 | Low | 50 Ų | 50 | 47.3 Ų | 47.3 | 52% | 0.515 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 64.7 | -151.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K855 G856 | G853-K855 PolarHBondContact O-N 3.23Å; G853-G856 PolarHBondContact O-N 3.02Å |
| 854 | H | 48.4 | Very low | 69.9 | Low | 135 Ų | 135 | 47.3 Ų | 47.3 | 63% | 0.625 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -59.4 | -8.6 | -178.9 | -62.1 | -89.3 | 0 | 0 | 0 | 115.2 | W857 | H854-W857 PolarHBondContact O-NE1 3.19Š|
| 855 | K | 52.5 | Low | 70.2 | Confident | 162 Ų | 162 | 47.3 Ų | 47.3 | 70% | 0.704 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -109.9 | -16.4 | 173.6 | -62.6 | -176.4 | 179.7 | -179.3 | 0 | 113.1 | G853 W857 | G853-K855 PolarHBondContact O-N 3.23Å; K855-W857 VanDerWaalsContact C-N 3.27Å; K855-W857 PolarHBondContact O-N 3.27Å |
| 856 | G | 53.1 | Low | 70.8 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -3.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G851 V852 G853 R858 | G851-G856 VanDerWaalsContact C-CA 3.41Å; V852-G856 VanDerWaalsContact N-CA 3.29Å; V852-G856 PolarHBondContact O-N 3.43Å; G853-G856 PolarHBondContact O-N 3.02Å; G856-R858 PolarHBondContact O-N 2.79Å |
| 857 | W | 55.3 | Low | 71.5 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.8 | 172.9 | 57.8 | -98 | 0 | 0 | 0 | 113.5 | H854 K855 I859 F994 | H854-W857 PolarHBondContact O-NE1 3.19Å; K855-W857 VanDerWaalsContact C-N 3.27Å; K855-W857 PolarHBondContact O-N 3.27Å; W857-I859 VanDerWaalsContact C-N 3.33Å; W857-I859 PolarHBondContact O-N 3.47Å; W857-F994 HydrophobicContact CB-CD1 4.04Å; W857-F994 HydrophobicContact CB-CE1 3.57Å; W857-F994 HydrophobicContact CB-CZ 4.37Å; W857-F994 AromaticContact CD1-CD1 3.92Å; W857-F994 HydrophobicContact CD2-CB 4.31Å; W857-F994 AromaticContact CD2-CD1 3.36Å; W857-F994 HydrophobicContact CD2-CD1 3.36Å; W857-F994 AromaticContact CD2-CE1 3.81Å; W857-F994 HydrophobicContact CD2-CE1 3.81Å; W857-F994 AromaticContact CD2-CG 3.93Å; W857-F994 HydrophobicContact CD2-CG 3.93Å; W857-F994 AromaticContact CE2-CD1 3.74Å; W857-F994 HydrophobicContact CE3-CB 4.24Å; W857-F994 AromaticContact CE3-CD1 3.66Å; W857-F994 HydrophobicContact CE3-CD1 3.66Å; W857-F994 HydrophobicContact CE3-CD2 4.34Å; W857-F994 HydrophobicContact CE3-CE1 4.04Å; W857-F994 AromaticContact CE3-CG 3.82Å; W857-F994 HydrophobicContact CE3-CG 3.82Å; W857-F994 AromaticContact CG-CD1 3.53Å; W857-F994 HydrophobicContact CG-CD1 3.53Å; W857-F994 AromaticContact CG-CE1 3.61Å; W857-F994 HydrophobicContact CG-CE1 3.61Å; W857-F994 HydrophobicContact CH2-CB 3.72Å; W857-F994 HydrophobicContact CH2-CG 4.22Å; W857-F994 HydrophobicContact CZ2-CB 3.79Å; W857-F994 HydrophobicContact CZ2-CD1 4.33Å; W857-F994 HydrophobicContact CZ2-CG 4.33Å; W857-F994 HydrophobicContact CZ3-CB 3.96Å; W857-F994 HydrophobicContact CZ3-CD1 4.25Å; W857-F994 HydrophobicContact CZ3-CD2 4.44Å; W857-F994 AromaticContact CZ3-CG 3.96Å; W857-F994 HydrophobicContact CZ3-CG 3.96Å |
| 858 | R | 64 | Low | 72.6 | Confident | 84 Ų | 84 | 41.9 Ų | 41.9 | 32% | 0.317 | 20% | 0.204 | S | C | . | . | trans | -71.5 | 81.9 | -177 | -71.2 | -171.8 | 178.1 | -111.7 | -9 | 113 | E586 G856 Q860 | E586-R858 IonicContact OE1-CZ 2.81Å; E586-R858 IonicContact OE1-NH1 2.71Å; E586-R858 PolarHBondContact OE1-NH1 3.27Å; G856-R858 PolarHBondContact O-N 2.79Å; R858-Q860 PolarHBondContact O-N 3.22Å; R858-Q860 PolarHBondContact O-NE2 3.48Å | ||
| 859 | I | 75.1 | Confident | 73.9 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.077 | 20% | 0.199 | C | C | . | . | trans | -55.3 | 131.4 | 163.2 | -68.7 | 162.3 | 0 | 0 | 0 | 108.8 | L204 Y843 W857 S861 R997 | L204-I859 HydrophobicContact CD1-CD1 4.22Å; L204-I859 HydrophobicContact CD1-CG1 4.12Å; Y843-I859 HydrophobicContact CD1-CD1 3.81Å; Y843-I859 HydrophobicContact CD1-CG2 4.21Å; Y843-I859 HydrophobicContact CG-CD1 4.19Å; W857-I859 VanDerWaalsContact C-N 3.33Å; W857-I859 PolarHBondContact O-N 3.47Å; I859-S861 WeakPolarHBondContact CG2-O 3.19Å; I859-R997 VanDerWaalsContact CD1-NH1 3.33Å | ||
| 860 | Q | 84.4 | Confident | 75.3 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -86.9 | -32.3 | 178.4 | -62.9 | -61.9 | -94.3 | 0 | 0 | 112 | I585 E586 L589 M806 L844 K846 R858 | I585-Q860 VanDerWaalsContact CA-O 3.31Å; I585-Q860 WeakPolarHBondContact CA-O 3.23Å; E586-Q860 PolarHBondContact N-O 3.48Å; E586-Q860 PolarHBondContact OE2-NE2 2.93Å; L589-Q860 HydrophobicContact CD1-CB 4.18Å; M806-Q860 HydrophobicContact SD-CB 4.01Å; L844-Q860 PolarHBondContact O-N 3.19Å; K846-Q860 VanDerWaalsContact CE-OE1 3.27Å; K846-Q860 HydrophobicContact CG-CG 3.62Å; R858-Q860 PolarHBondContact O-N 3.22Å; R858-Q860 PolarHBondContact O-NE2 3.48Å |
| 861 | S | 89 | Confident | 76.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 149.1 | 168.6 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | S583 I585 Y598 L844 I859 | S583-S861 PolarHBondContact O-OG 3.19Å; I585-S861 WeakPolarHBondContact CG1-OG 3.49Å; Y598-S861 PolarHBondContact OH-OG 2.81Å; Y598-S861 VanDerWaalsContact OH-OG 3.05Å; L844-S861 PolarHBondContact N-O 2.98Å; I859-S861 WeakPolarHBondContact CG2-O 3.19Å |
| 862 | Q | 88.8 | Confident | 78.2 | Confident | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.6 | 158.5 | 175.3 | -179.8 | -6.2 | 0 | 0 | 109.2 | A582 S583 V584 T841 Y843 | A582-Q862 CarbonylContact C-O 3.52Å; A582-Q862 WeakPolarHBondContact CA-O 3.33Å; S583-Q862 PolarHBondContact N-O 3.19Å; S583-Q862 PolarHBondContact O-N 2.8Å; S583-Q862 VanDerWaalsContact O-O 3.09Å; V584-Q862 HydrophobicContact CB-CB 3.97Å; V584-Q862 HydrophobicContact CG2-CB 4.06Å; T841-Q862 HydrophobicContact CG2-CG 3.64Å; Y843-Q862 HydrophobicContact CD1-CB 3.9Å; Y843-Q862 HydrophobicContact CD1-CG 4.03Å; Y843-Q862 HydrophobicContact CE1-CB 3.79Å; Y843-Q862 HydrophobicContact CE1-CG 3.53Å |
| 863 | I | 91 | Very high | 79.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.7 | 168.1 | 64.6 | 172.9 | 0 | 0 | 0 | 110 | F579 E581 A582 Y598 I804 T841 L842 L844 I865 | F579-I863 HydrophobicContact CD1-CB 4.29Å; F579-I863 HydrophobicContact CD1-CD1 4.37Å; F579-I863 HydrophobicContact CD1-CG2 4.34Å; F579-I863 HydrophobicContact CE1-CB 4.32Å; F579-I863 HydrophobicContact CE1-CD1 3.7Å; F579-I863 HydrophobicContact CE1-CG2 4.19Å; F579-I863 HydrophobicContact CZ-CD1 4.38Å; E581-I863 WeakPolarHBondContact O-CA 3.45Å; A582-I863 HydrophobicContact CB-CG2 4.01Å; Y598-I863 HydrophobicContact CE1-CG2 3.93Å; Y598-I863 HydrophobicContact CE2-CG2 4.24Å; I804-I863 HydrophobicContact CD1-CD1 4.06Å; I804-I863 HydrophobicContact CG2-CD1 4.03Å; T841-I863 WeakPolarHBondContact CA-O 3.45Å; L842-I863 HydrophobicContact CB-CD1 4.37Å; L842-I863 HydrophobicContact CB-CG1 3.89Å; L842-I863 HydrophobicContact CD1-CD1 4.49Å; L842-I863 PolarHBondContact N-O 2.87Å; L842-I863 PolarHBondContact O-N 2.77Å; L844-I863 HydrophobicContact CD1-CD1 3.74Å; L844-I863 HydrophobicContact CD1-CG1 3.72Å; L844-I863 HydrophobicContact CD1-CG2 4.15Å; I863-I865 HydrophobicContact CD1-CB 4.46Å; I863-I865 HydrophobicContact CD1-CD1 4.23Å; I863-I865 HydrophobicContact CD1-CG2 4.16Å; I863-I865 HydrophobicContact CG1-CG2 4.34Å |
| 864 | R | 89.8 | Confident | 81.6 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 112 | 173.2 | -162.6 | 165 | 179.9 | -108.3 | 3.3 | 108.1 | S580 E581 M839 A840 N975 L976 | S580-R864 WeakPolarHBondContact CB-O 3.46Å; S580-R864 PolarHBondContact N-O 2.96Å; E581-R864 HydrophobicContact CB-CB 4.09Å; E581-R864 PolarHBondContact N-O 3.4Å; E581-R864 PolarHBondContact O-N 2.86Å; E581-R864 IonicContact OE1-NH1 3.48Å; E581-R864 PolarHBondContact OE1-NH1 2.77Å; M839-R864 HydrophobicContact CG-CG 3.91Å; M839-R864 HydrophobicContact SD-CG 3.97Å; A840-R864 WeakPolarHBondContact O-CA 3.39Å; R864-N975 PolarHBondContact NH2-O 3.02Å; R864-L976 PolarHBondContact NH2-O 3.12Å |
| 865 | I | 93.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 131.5 | -159.5 | -167.1 | 174.1 | 0 | 0 | 0 | 111.7 | A577 C578 F579 I804 A840 L842 I863 L867 | A577-I865 HydrophobicContact CB-CD1 3.91Å; A577-I865 HydrophobicContact CB-CG1 4.26Å; C578-I865 CarbonylContact O-C 3.57Å; C578-I865 WeakPolarHBondContact O-CA 3.47Å; C578-I865 WeakPolarHBondContact O-CG1 3.42Å; F579-I865 HydrophobicContact CD1-CD1 4.16Å; F579-I865 HydrophobicContact CD2-CD1 3.82Å; F579-I865 HydrophobicContact CD2-CG1 4.22Å; F579-I865 HydrophobicContact CE1-CD1 3.89Å; F579-I865 HydrophobicContact CE2-CD1 3.5Å; F579-I865 VanDerWaalsContact CE2-CD1 3.5Å; F579-I865 HydrophobicContact CE2-CG1 4.38Å; F579-I865 HydrophobicContact CG-CD1 4.13Å; F579-I865 HydrophobicContact CG-CG1 4.29Å; F579-I865 HydrophobicContact CZ-CD1 3.54Å; I804-I865 HydrophobicContact CD1-CD1 3.72Å; A840-I865 PolarHBondContact N-O 3.26Å; A840-I865 PolarHBondContact O-N 3.39Å; L842-I865 HydrophobicContact CD1-CG2 3.79Å; L842-I865 HydrophobicContact CG-CG2 4.16Å; I863-I865 HydrophobicContact CD1-CB 4.46Å; I863-I865 HydrophobicContact CD1-CD1 4.23Å; I863-I865 HydrophobicContact CD1-CG2 4.16Å; I863-I865 HydrophobicContact CG1-CG2 4.34Å; I865-L867 HydrophobicContact CD1-CD2 4.15Å; I865-L867 HydrophobicContact CG1-CD2 4.33Å; I865-L867 HydrophobicContact CG1-CG 4.47Å; I865-L867 HydrophobicContact CG2-CD1 4.1Å; I865-L867 HydrophobicContact CG2-CG 4.19Å |
| 866 | Y | 94.5 | Very high | 85 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 136.7 | 168.5 | -176.3 | -96.4 | 0 | 0 | 0 | 109.6 | F576 A577 C578 G837 Q838 M839 W868 Y878 G881 L882 | F576-Y866 HydrophobicContact CD1-CD1 4.08Å; F576-Y866 HydrophobicContact CD1-CE1 4.35Å; F576-Y866 HydrophobicContact CE1-CD1 4.07Å; A577-Y866 CarbonylContact C-O 3.55Å; A577-Y866 WeakPolarHBondContact CA-O 3.37Å; C578-Y866 PolarHBondContact N-O 2.64Å; C578-Y866 PolarHBondContact O-N 2.76Å; G837-Y866 WeakPolarHBondContact CA-OH 3.47Å; G837-Y866 VanDerWaalsContact O-CE2 3.23Å; G837-Y866 WeakPolarHBondContact O-CE2 3.27Å; G837-Y866 PolarHBondContact O-OH 2.91Å; Q838-Y866 WeakPolarHBondContact O-CD2 3.45Å; M839-Y866 PolarHBondContact SD-N 3.41Å; Y866-W868 HydrophobicContact CE1-CB 4.3Å; Y866-Y878 VanDerWaalsContact CE1-O 3.24Å; Y866-Y878 WeakPolarHBondContact CE1-O 3.45Å; Y866-Y878 PolarHBondContact OH-O 3.49Å; Y866-G881 WeakPolarHBondContact CE2-O 3.45Å; Y866-G881 WeakPolarHBondContact OH-CA 3.18Å; Y866-G881 PolarHBondContact OH-N 2.86Å; Y866-L882 HydrophobicContact CD1-CD2 3.6Å; Y866-L882 HydrophobicContact CD1-CG 4.43Å; Y866-L882 HydrophobicContact CD2-CD2 4.18Å; Y866-L882 HydrophobicContact CE1-CD2 3.92Å; Y866-L882 HydrophobicContact CE1-CG 4.26Å; Y866-L882 HydrophobicContact CE2-CD2 4.47Å; Y866-L882 HydrophobicContact CG-CD2 3.73Å |
| 867 | L | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.8 | -176 | -69.4 | 167 | 0 | 0 | 0 | 112.4 | A577 I600 I818 I823 G837 Q838 L842 I865 | A577-L867 HydrophobicContact CB-CD2 3.75Å; I600-L867 HydrophobicContact CD1-CD2 4.44Å; I818-L867 HydrophobicContact CD1-CD1 3.84Å; I823-L867 HydrophobicContact CB-CB 4.48Å; I823-L867 HydrophobicContact CG2-CB 3.82Å; I823-L867 HydrophobicContact CG2-CD1 3.97Å; I823-L867 HydrophobicContact CG2-CG 4.47Å; G837-L867 WeakPolarHBondContact CA-O 3.37Å; G837-L867 PolarHBondContact N-O 3.4Å; Q838-L867 PolarHBondContact O-N 2.93Å; L842-L867 HydrophobicContact CD1-CD1 4.15Å; I865-L867 HydrophobicContact CD1-CD2 4.15Å; I865-L867 HydrophobicContact CG1-CD2 4.33Å; I865-L867 HydrophobicContact CG1-CG 4.47Å; I865-L867 HydrophobicContact CG2-CD1 4.1Å; I865-L867 HydrophobicContact CG2-CG 4.19Å |
| 868 | W | 96 | Very high | 88.4 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 126.4 | 176.2 | -170.1 | 101.1 | 0 | 0 | 0 | 111 | F574 L575 F576 Y825 Y866 D874 | F574-W868 HydrophobicContact CB-CZ3 4.3Å; F574-W868 HydrophobicContact CD1-CE3 4.06Å; F574-W868 AromaticContact CD1-CZ3 3.73Å; F574-W868 HydrophobicContact CD1-CZ3 3.73Å; F574-W868 HydrophobicContact CG-CZ3 4.48Å; F574-W868 WeakPolarHBondContact O-CZ3 3.47Å; L575-W868 WeakPolarHBondContact CA-O 3.37Å; F576-W868 PolarHBondContact N-O 2.85Å; F576-W868 PolarHBondContact O-N 2.96Å; Y825-W868 HydrophobicContact CD1-CH2 4.41Å; Y825-W868 AromaticContact CD1-CZ2 3.52Å; Y825-W868 HydrophobicContact CD1-CZ2 3.52Å; Y825-W868 AromaticContact CD2-CE2 3.97Å; Y825-W868 HydrophobicContact CD2-CZ2 4.26Å; Y825-W868 AromaticContact CD2-NE1 3.26Å; Y825-W868 VanDerWaalsContact CD2-NE1 3.26Å; Y825-W868 HydrophobicContact CE1-CZ2 4.16Å; Y825-W868 AromaticContact CE2-NE1 3.94Å; Y825-W868 AromaticContact CG-CE2 3.6Å; Y825-W868 AromaticContact CG-CZ2 3.58Å; Y825-W868 HydrophobicContact CG-CZ2 3.58Å; Y825-W868 AromaticContact CG-NE1 3.38Å; Y866-W868 HydrophobicContact CE1-CB 4.3Å; W868-D874 HydrophobicContact CH2-CB 4.24Å; W868-D874 HydrophobicContact CZ2-CB 4.35Å; W868-D874 WeakPolarHBondContact CZ2-O 3.16Å |
| 869 | L | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.9 | 174.2 | 174.7 | 62.9 | 0 | 0 | 0 | 110.1 | F574 L575 F602 L799 A820 I823 Y824 Y825 | F574-L869 WeakPolarHBondContact O-CA 3.45Å; L575-L869 HydrophobicContact CB-CD1 4.06Å; L575-L869 HydrophobicContact CD1-CB 4.03Å; L575-L869 HydrophobicContact CD1-CD1 4.29Å; F602-L869 HydrophobicContact CE1-CD1 4.13Å; F602-L869 HydrophobicContact CE2-CD2 4.23Å; F602-L869 HydrophobicContact CZ-CD1 4.09Å; F602-L869 HydrophobicContact CZ-CD2 4.4Å; L799-L869 HydrophobicContact CD1-CD2 4.3Å; A820-L869 HydrophobicContact CB-CD2 3.94Å; I823-L869 HydrophobicContact CD1-CB 3.97Å; I823-L869 HydrophobicContact CD1-CD2 4.2Å; I823-L869 HydrophobicContact CG1-CB 3.95Å; I823-L869 HydrophobicContact CG1-CD2 4.18Å; I823-L869 PolarHBondContact O-N 3.02Å; I823-L869 VanDerWaalsContact O-N 3.08Å; Y824-L869 CarbonylContact C-O 3.5Å; Y824-L869 WeakPolarHBondContact CA-O 3.17Å; Y825-L869 PolarHBondContact N-O 3.38Å |
| 870 | G | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y573 F574 | Y573-G870 CarbonylContact C-O 3.55Å; Y573-G870 VanDerWaalsContact CA-O 3.29Å; Y573-G870 WeakPolarHBondContact CA-O 3.19Å; Y573-G870 WeakPolarHBondContact CD1-O 3.29Å; F574-G870 PolarHBondContact N-O 2.93Å; F574-G870 PolarHBondContact O-N 3.01Å |
| 871 | L | 91.7 | Very high | 90 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 147.2 | 170.4 | -74 | 167.9 | 0 | 0 | 0 | 109.7 | Y573 K873 D874 | Y573-L871 HydrophobicContact CD1-CD2 4.01Å; Y573-L871 HydrophobicContact CD1-CG 4.3Å; Y573-L871 HydrophobicContact CD2-CD2 4.27Å; Y573-L871 HydrophobicContact CE1-CD2 3.54Å; Y573-L871 HydrophobicContact CE1-CG 3.79Å; Y573-L871 HydrophobicContact CE2-CD2 3.85Å; Y573-L871 HydrophobicContact CG-CD2 4.34Å; Y573-L871 VanDerWaalsContact CZ-CD2 3.45Å; L871-K873 HydrophobicContact CB-CD 4.35Å; L871-K873 HydrophobicContact CB-CG 4.02Å; L871-K873 HydrophobicContact CD1-CD 4.23Å; L871-K873 PolarHBondContact O-N 3.15Å; L871-D874 PolarHBondContact O-N 3.27Å |
| 872 | I | 87.7 | Confident | 90 | Very high | 47 Ų | 47 | 32.1 Ų | 32.1 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -58.3 | -23.4 | -179.1 | -165.2 | 65.6 | 0 | 0 | 0 | 113.4 | L572 F574 V633 W635 T667 D874 F875 | L572-I872 HydrophobicContact CB-CB 4.26Å; L572-I872 HydrophobicContact CB-CG2 3.91Å; L572-I872 HydrophobicContact CD2-CB 4.3Å; L572-I872 HydrophobicContact CD2-CG1 4.18Å; L572-I872 HydrophobicContact CD2-CG2 4.32Å; L572-I872 HydrophobicContact CG-CB 4.37Å; L572-I872 HydrophobicContact CG-CG2 4.46Å; L572-I872 WeakPolarHBondContact O-CB 3.3Å; L572-I872 PolarHBondContact O-N 3.16Å; F574-I872 HydrophobicContact CB-CD1 3.94Å; F574-I872 HydrophobicContact CG-CD1 4.38Å; V633-I872 HydrophobicContact CG1-CD1 4.02Å; V633-I872 HydrophobicContact CG1-CG1 4.43Å; W635-I872 HydrophobicContact CZ3-CD1 4.2Å; T667-I872 HydrophobicContact CG2-CD1 4.43Å; I872-D874 PolarHBondContact O-N 3.41Å; I872-F875 HydrophobicContact CD1-CB 4.25Å; I872-F875 WeakPolarHBondContact O-CB 3.47Å; I872-F875 WeakPolarHBondContact O-CD1 3.29Å; I872-F875 PolarHBondContact O-N 3.04Å |
| 873 | K | 85.7 | Confident | 90 | Very high | 133 Ų | 133 | 31.7 Ų | 31.7 | 58% | 0.578 | 16% | 0.157 | S | C | * | . | G | 310 helix | trans | -64.6 | -28.7 | 174.8 | 77.1 | -175.1 | -174.4 | 176.6 | 0 | 112.7 | L871 | L871-K873 HydrophobicContact CB-CD 4.35Å; L871-K873 HydrophobicContact CB-CG 4.02Å; L871-K873 HydrophobicContact CD1-CD 4.23Å; L871-K873 PolarHBondContact O-N 3.15Å |
| 874 | D | 89.3 | Confident | 89.9 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -98 | 3.8 | -174.7 | -54 | -56.8 | 0 | 0 | 0 | 111.4 | Y825 W868 L871 I872 T876 S877 | Y825-D874 HydrophobicContact CD1-CB 4.04Å; Y825-D874 HydrophobicContact CE1-CB 3.97Å; W868-D874 HydrophobicContact CH2-CB 4.24Å; W868-D874 HydrophobicContact CZ2-CB 4.35Å; W868-D874 WeakPolarHBondContact CZ2-O 3.16Å; L871-D874 PolarHBondContact O-N 3.27Å; I872-D874 PolarHBondContact O-N 3.41Å; D874-T876 PolarHBondContact O-N 2.85Å; D874-S877 WeakPolarHBondContact O-CB 3.26Å; D874-S877 PolarHBondContact O-N 2.98Å |
| 875 | F | 86.1 | Confident | 89.8 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 25% | 0.254 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -57.4 | -30.2 | -167.1 | 87.4 | -71.1 | 0 | 0 | 0 | 113.7 | F574 W635 I872 S877 Y878 | F574-F875 HydrophobicContact CD1-CB 4.02Å; W635-F875 HydrophobicContact CH2-CE2 4.34Å; W635-F875 HydrophobicContact CZ3-CD2 4.37Å; I872-F875 HydrophobicContact CD1-CB 4.25Å; I872-F875 WeakPolarHBondContact O-CB 3.47Å; I872-F875 WeakPolarHBondContact O-CD1 3.29Å; I872-F875 PolarHBondContact O-N 3.04Å; F875-S877 PolarHBondContact O-N 2.88Å; F875-S877 VanDerWaalsContact O-N 3.1Å; F875-Y878 WeakPolarHBondContact O-CB 3.25Å; F875-Y878 WeakPolarHBondContact O-CD1 3.26Å; F875-Y878 PolarHBondContact O-N 3.28Å |
| 876 | T | 85.2 | Confident | 89.7 | Confident | 82 Ų | 82 | 34.1 Ų | 34.1 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -60.1 | -21.5 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | D874 Y878 | D874-T876 PolarHBondContact O-N 2.85Å; T876-Y878 VanDerWaalsContact C-N 3.3Å; T876-Y878 PolarHBondContact O-N 2.82Å |
| 877 | S | 89.2 | Confident | 89.4 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -79.6 | -5.8 | -178.8 | -60.9 | 0 | 0 | 0 | 0 | 114.6 | Y825 D874 F875 T879 Y880 | Y825-S877 VanDerWaalsContact CZ-CB 3.48Å; Y825-S877 WeakPolarHBondContact OH-CB 3.44Å; Y825-S877 PolarHBondContact OH-OG 2.78Å; Y825-S877 VanDerWaalsContact OH-OG 3.07Å; D874-S877 WeakPolarHBondContact O-CB 3.26Å; D874-S877 PolarHBondContact O-N 2.98Å; F875-S877 PolarHBondContact O-N 2.88Å; F875-S877 VanDerWaalsContact O-N 3.1Å; S877-T879 PolarHBondContact O-N 2.87Å; S877-T879 VanDerWaalsContact O-N 3.17Å; S877-Y880 WeakPolarHBondContact O-CD2 3.31Å; S877-Y880 PolarHBondContact O-N 3.3Å |
| 878 | Y | 90.4 | Very high | 88.8 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 7% | 0.071 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -67.2 | -13.5 | -173.3 | 85.1 | -66.5 | 0 | 0 | 0 | 115.6 | F574 F576 Y866 F875 T876 F891 P896 P897 | F574-Y878 HydrophobicContact CE1-CD2 4.17Å; F574-Y878 HydrophobicContact CE1-CG 4.18Å; F576-Y878 HydrophobicContact CB-CD2 3.92Å; F576-Y878 AromaticContact CD1-CD2 3.67Å; F576-Y878 HydrophobicContact CD1-CD2 3.67Å; F576-Y878 HydrophobicContact CD1-CE2 4.2Å; F576-Y878 AromaticContact CD2-CD2 3.67Å; F576-Y878 HydrophobicContact CD2-CD2 3.67Å; F576-Y878 AromaticContact CD2-CE2 3.51Å; F576-Y878 HydrophobicContact CD2-CE2 3.51Å; F576-Y878 HydrophobicContact CE1-CD2 4.05Å; F576-Y878 HydrophobicContact CE1-CE2 4.24Å; F576-Y878 HydrophobicContact CE2-CD2 4.06Å; F576-Y878 AromaticContact CE2-CE2 3.58Å; F576-Y878 HydrophobicContact CE2-CE2 3.58Å; F576-Y878 AromaticContact CG-CD2 3.46Å; F576-Y878 HydrophobicContact CG-CD2 3.46Å; F576-Y878 VanDerWaalsContact CG-CD2 3.46Å; F576-Y878 AromaticContact CG-CE2 3.84Å; F576-Y878 HydrophobicContact CG-CE2 3.84Å; F576-Y878 HydrophobicContact CZ-CD2 4.23Å; F576-Y878 AromaticContact CZ-CE2 3.95Å; F576-Y878 HydrophobicContact CZ-CE2 3.95Å; Y866-Y878 VanDerWaalsContact CE1-O 3.24Å; Y866-Y878 WeakPolarHBondContact CE1-O 3.45Å; Y866-Y878 PolarHBondContact OH-O 3.49Å; F875-Y878 WeakPolarHBondContact O-CB 3.25Å; F875-Y878 WeakPolarHBondContact O-CD1 3.26Å; F875-Y878 PolarHBondContact O-N 3.28Å; T876-Y878 VanDerWaalsContact C-N 3.3Å; T876-Y878 PolarHBondContact O-N 2.82Å; Y878-F891 HydrophobicContact CE1-CD1 4.49Å; Y878-F891 HydrophobicContact CE1-CE1 4.49Å; Y878-F891 HydrophobicContact CE2-CE1 4.09Å; Y878-F891 AromaticContact CZ-CE1 3.74Å; Y878-F891 WeakPolarHBondContact OH-CD1 3.36Å; Y878-F891 VanDerWaalsContact OH-CE1 3.32Å; Y878-F891 WeakPolarHBondContact OH-CE1 3.44Å; Y878-P896 HydrophobicContact CE2-CB 4.47Å; Y878-P897 WeakPolarHBondContact OH-CD 3.37Å |
| 879 | T | 88.3 | Confident | 88.3 | Confident | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -94.8 | -14.3 | -177.9 | 56 | 0 | 0 | 0 | 0 | 113.9 | S877 G881 L882 F891 | S877-T879 PolarHBondContact O-N 2.87Å; S877-T879 VanDerWaalsContact O-N 3.17Å; T879-G881 PolarHBondContact O-N 2.77Å; T879-G881 VanDerWaalsContact O-N 3.1Å; T879-L882 HydrophobicContact CG2-CD1 4.04Å; T879-L882 WeakPolarHBondContact O-CB 3.28Å; T879-L882 PolarHBondContact O-N 2.83Å; T879-L882 VanDerWaalsContact O-N 3.09Å; T879-F891 HydrophobicContact CG2-CD1 3.73Å; T879-F891 HydrophobicContact CG2-CD2 4.24Å; T879-F891 HydrophobicContact CG2-CE1 3.46Å; T879-F891 VanDerWaalsContact CG2-CE1 3.46Å; T879-F891 HydrophobicContact CG2-CE2 3.99Å; T879-F891 HydrophobicContact CG2-CG 4.11Å; T879-F891 HydrophobicContact CG2-CZ 3.59Å |
| 880 | Y | 85.1 | Confident | 87.6 | Confident | 178 Ų | 178 | 49.8 Ų | 49.8 | 70% | 0.698 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.7 | -166.4 | -66.2 | -36.7 | 0 | 0 | 0 | 115.4 | S877 | S877-Y880 WeakPolarHBondContact O-CD2 3.31Å; S877-Y880 PolarHBondContact O-N 3.3Å |
| 881 | G | 84.4 | Confident | 87 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 7.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y866 T879 | Y866-G881 WeakPolarHBondContact CE2-O 3.45Å; Y866-G881 WeakPolarHBondContact OH-CA 3.18Å; Y866-G881 PolarHBondContact OH-N 2.86Å; T879-G881 PolarHBondContact O-N 2.77Å; T879-G881 VanDerWaalsContact O-N 3.1Å |
| 882 | L | 89.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -68.4 | 132.3 | 178 | -70.6 | 171.5 | 0 | 0 | 0 | 110.5 | F576 C578 Y866 T879 G884 Y886 F891 L900 | F576-L882 HydrophobicContact CE1-CD2 4.33Å; C578-L882 HydrophobicContact CB-CD2 4.45Å; Y866-L882 HydrophobicContact CD1-CD2 3.6Å; Y866-L882 HydrophobicContact CD1-CG 4.43Å; Y866-L882 HydrophobicContact CD2-CD2 4.18Å; Y866-L882 HydrophobicContact CE1-CD2 3.92Å; Y866-L882 HydrophobicContact CE1-CG 4.26Å; Y866-L882 HydrophobicContact CE2-CD2 4.47Å; Y866-L882 HydrophobicContact CG-CD2 3.73Å; T879-L882 HydrophobicContact CG2-CD1 4.04Å; T879-L882 WeakPolarHBondContact O-CB 3.28Å; T879-L882 PolarHBondContact O-N 2.83Å; T879-L882 VanDerWaalsContact O-N 3.09Å; L882-G884 PolarHBondContact O-N 2.96Å; L882-Y886 HydrophobicContact CB-CE1 3.68Å; L882-F891 HydrophobicContact CD1-CE2 4.16Å; L882-F891 HydrophobicContact CD1-CZ 3.62Å; L882-L900 HydrophobicContact CD1-CD1 3.85Å; L882-L900 HydrophobicContact CD2-CD1 3.97Å |
| 883 | P | 88.6 | Confident | 85.7 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 135 | 178.5 | -17.2 | 27.8 | 0 | 0 | 0 | 111.6 | M839 Y886 Y902 Q967 | M839-P883 HydrophobicContact CE-CG 3.6Å; P883-Y886 WeakPolarHBondContact O-CD1 3.44Å; P883-Y886 WeakPolarHBondContact O-CE1 3.38Å; P883-Y902 VanDerWaalsContact O-CE1 3.32Å; P883-Y902 WeakPolarHBondContact O-CE1 3.42Å; P883-Y902 PolarHBondContact O-OH 3.06Å; P883-Q967 HydrophobicContact CB-CB 4.27Å |
| 884 | G | 88.5 | Confident | 85 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -70.6 | 158 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L882 Q967 N968 S971 | L882-G884 PolarHBondContact O-N 2.96Å; G884-Q967 CarbonylContact O-C 3.45Å; G884-Q967 VanDerWaalsContact O-CA 3.32Å; G884-Q967 WeakPolarHBondContact O-CA 3.32Å; G884-Q967 WeakPolarHBondContact O-CB 3.44Å; G884-N968 PolarHBondContact O-N 3.28Å; G884-S971 WeakPolarHBondContact CA-OG 3.04Å; G884-S971 PolarHBondContact N-OG 2.88Å |
| 885 | G | 87.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | trans | 115.5 | 1.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y902 L903 E904 | G885-Y902 VanDerWaalsContact C-CD1 3.45Å; G885-L903 PolarHBondContact O-N 3.42Å; G885-E904 PolarHBondContact O-N 3.34Å; G885-E904 VanDerWaalsContact O-N 3.13Å | ||
| 886 | Y | 90.3 | Very high | 84.6 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -90.1 | 157.6 | 175.7 | 59.6 | -99.7 | 0 | 0 | 0 | 113.5 | L882 P883 K888 F891 L900 V901 Y902 | L882-Y886 HydrophobicContact CB-CE1 3.68Å; P883-Y886 WeakPolarHBondContact O-CD1 3.44Å; P883-Y886 WeakPolarHBondContact O-CE1 3.38Å; Y886-K888 HydrophobicContact CD2-CG 4.31Å; Y886-K888 HydrophobicContact CE2-CG 3.94Å; Y886-K888 PolarHBondContact O-N 3.36Å; Y886-K888 VanDerWaalsContact O-N 3.15Å; Y886-F891 AromaticContact CD2-CE2 4Å; Y886-F891 HydrophobicContact CD2-CE2 4Å; Y886-F891 HydrophobicContact CE2-CD2 4.11Å; Y886-F891 AromaticContact CE2-CE2 3.58Å; Y886-F891 HydrophobicContact CE2-CE2 3.58Å; Y886-L900 HydrophobicContact CD1-CD2 4.37Å; Y886-L900 HydrophobicContact CD2-CD2 3.89Å; Y886-L900 HydrophobicContact CG-CD2 3.76Å; Y886-V901 CarbonylContact C-O 3.58Å; Y886-V901 VanDerWaalsContact CA-O 3.28Å; Y886-V901 WeakPolarHBondContact CA-O 3.5Å; Y886-Y902 HydrophobicContact CD1-CE1 4.15Å |
| 887 | D | 89 | Confident | 84.8 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | trans | -66.7 | 110.2 | 171.6 | 179.6 | 18.9 | 0 | 0 | 0 | 111.7 | N889 I890 V901 L903 | D887-N889 PolarHBondContact O-N 3.32Å; D887-N889 VanDerWaalsContact OD1-CB 3.31Å; D887-N889 WeakPolarHBondContact OD1-CB 3.29Å; D887-N889 PolarHBondContact OD1-N 3.08Å; D887-N889 PolarHBondContact OD1-ND2 2.95Å; D887-I890 HydrophobicContact CB-CD1 3.98Å; D887-I890 HydrophobicContact CB-CG1 4.13Å; D887-I890 WeakPolarHBondContact O-CB 3.48Å; D887-I890 WeakPolarHBondContact O-CG1 3.47Å; D887-I890 PolarHBondContact O-N 3.34Å; D887-V901 PolarHBondContact N-O 3Å; D887-L903 HydrophobicContact CB-CD1 3.96Å; D887-L903 HydrophobicContact CB-CG 4.23Å | ||
| 888 | K | 83 | Confident | 84.9 | Confident | 163 Ų | 163 | 57.8 Ų | 57.8 | 71% | 0.709 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -68.7 | -15.9 | 178.6 | -62.9 | 178.2 | -177.1 | 174.7 | 0 | 113.2 | Y886 I890 | Y886-K888 HydrophobicContact CD2-CG 4.31Å; Y886-K888 HydrophobicContact CE2-CG 3.94Å; Y886-K888 PolarHBondContact O-N 3.36Å; Y886-K888 VanDerWaalsContact O-N 3.15Å; K888-I890 PolarHBondContact O-N 3.48Å |
| 889 | N | 84.8 | Confident | 85 | Confident | 87 Ų | 87 | 60.4 Ų | 60.4 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -67.7 | -23.4 | 177.4 | -64.1 | -76.8 | 0 | 0 | 0 | 112.9 | D887 F891 K892 | D887-N889 PolarHBondContact O-N 3.32Å; D887-N889 VanDerWaalsContact OD1-CB 3.31Å; D887-N889 WeakPolarHBondContact OD1-CB 3.29Å; D887-N889 PolarHBondContact OD1-N 3.08Å; D887-N889 PolarHBondContact OD1-ND2 2.95Å; N889-F891 PolarHBondContact O-N 2.99Å; N889-K892 HydrophobicContact CB-CD 4.34Å; N889-K892 WeakPolarHBondContact O-CB 3.29Å; N889-K892 VanDerWaalsContact O-CG 3.32Å; N889-K892 WeakPolarHBondContact O-CG 3.48Å; N889-K892 PolarHBondContact O-N 2.96Å; N889-K892 VanDerWaalsContact OD1-CE 3.32Å; N889-K892 WeakPolarHBondContact OD1-CE 3.24Å; N889-K892 PolarHBondContact OD1-NZ 2.91Å |
| 890 | I | 81.7 | Confident | 85.1 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.195 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.4 | -32 | 179.8 | -66.1 | 174.3 | 0 | 0 | 0 | 111.9 | D887 K888 K892 P897 V901 | D887-I890 HydrophobicContact CB-CD1 3.98Å; D887-I890 HydrophobicContact CB-CG1 4.13Å; D887-I890 WeakPolarHBondContact O-CB 3.48Å; D887-I890 WeakPolarHBondContact O-CG1 3.47Å; D887-I890 PolarHBondContact O-N 3.34Å; K888-I890 PolarHBondContact O-N 3.48Å; I890-K892 VanDerWaalsContact C-N 3.29Å; I890-K892 PolarHBondContact O-N 2.87Å; I890-P897 HydrophobicContact CG2-CB 3.37Å; I890-P897 HydrophobicContact CG2-CG 3.81Å; I890-V901 HydrophobicContact CD1-CB 3.98Å; I890-V901 HydrophobicContact CD1-CG2 4Å |
| 891 | F | 81.9 | Confident | 85.4 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -85.7 | 14.3 | -177.8 | -64.6 | -67.3 | 0 | 0 | 0 | 114.9 | Y878 T879 L882 Y886 N889 P897 L900 | Y878-F891 HydrophobicContact CE1-CD1 4.49Å; Y878-F891 HydrophobicContact CE1-CE1 4.49Å; Y878-F891 HydrophobicContact CE2-CE1 4.09Å; Y878-F891 AromaticContact CZ-CE1 3.74Å; Y878-F891 WeakPolarHBondContact OH-CD1 3.36Å; Y878-F891 VanDerWaalsContact OH-CE1 3.32Å; Y878-F891 WeakPolarHBondContact OH-CE1 3.44Å; T879-F891 HydrophobicContact CG2-CD1 3.73Å; T879-F891 HydrophobicContact CG2-CD2 4.24Å; T879-F891 HydrophobicContact CG2-CE1 3.46Å; T879-F891 VanDerWaalsContact CG2-CE1 3.46Å; T879-F891 HydrophobicContact CG2-CE2 3.99Å; T879-F891 HydrophobicContact CG2-CG 4.11Å; T879-F891 HydrophobicContact CG2-CZ 3.59Å; L882-F891 HydrophobicContact CD1-CE2 4.16Å; L882-F891 HydrophobicContact CD1-CZ 3.62Å; Y886-F891 AromaticContact CD2-CE2 4Å; Y886-F891 HydrophobicContact CD2-CE2 4Å; Y886-F891 HydrophobicContact CE2-CD2 4.11Å; Y886-F891 AromaticContact CE2-CE2 3.58Å; Y886-F891 HydrophobicContact CE2-CE2 3.58Å; N889-F891 PolarHBondContact O-N 2.99Å; F891-P897 HydrophobicContact CD1-CG 4.28Å; F891-P897 HydrophobicContact CE1-CG 3.7Å; F891-P897 HydrophobicContact CZ-CG 4.31Å; F891-L900 HydrophobicContact CE2-CD2 3.84Å; F891-L900 HydrophobicContact CZ-CD1 4.33Å; F891-L900 HydrophobicContact CZ-CD2 3.78Å; F891-L900 HydrophobicContact CZ-CG 4.36Å |
| 892 | K | 76.2 | Confident | 85.7 | Confident | 162 Ų | 162 | 51.7 Ų | 51.7 | 70% | 0.704 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -77.2 | -18.4 | 178.3 | -74.2 | 175 | 170.6 | 175.2 | 0 | 114.2 | N889 I890 | N889-K892 HydrophobicContact CB-CD 4.34Å; N889-K892 WeakPolarHBondContact O-CB 3.29Å; N889-K892 VanDerWaalsContact O-CG 3.32Å; N889-K892 WeakPolarHBondContact O-CG 3.48Å; N889-K892 PolarHBondContact O-N 2.96Å; N889-K892 VanDerWaalsContact OD1-CE 3.32Å; N889-K892 WeakPolarHBondContact OD1-CE 3.24Å; N889-K892 PolarHBondContact OD1-NZ 2.91Å; I890-K892 VanDerWaalsContact C-N 3.29Å; I890-K892 PolarHBondContact O-N 2.87Å |
| 893 | T | 74 | Confident | 85.8 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 53% | 0.534 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -86.9 | 148 | 174.8 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | K895 | T893-K895 PolarHBondContact O-N 2.84Å; T893-K895 PolarHBondContact OG1-O 3.19Å; T893-K895 VanDerWaalsContact OG1-O 3.07Å |
| 894 | P | 71.5 | Confident | 85.8 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 51% | 0.506 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.4 | -29.8 | 174.6 | 27.4 | -34.8 | 0 | 0 | 0 | 112.2 | E631 W635 | E631-P894 WeakPolarHBondContact OE2-CG 3.41Å; W635-P894 WeakPolarHBondContact CH2-O 3.33Å |
| 895 | K | 79.3 | Confident | 85.8 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -73.9 | 133.8 | 174.3 | -174.5 | 177.9 | 173.3 | 177.4 | 0 | 111 | Y665 T893 | Y665-K895 WeakPolarHBondContact OH-CE 3.43Å; T893-K895 PolarHBondContact O-N 2.84Å; T893-K895 PolarHBondContact OG1-O 3.19Å; T893-K895 VanDerWaalsContact OG1-O 3.07Å |
| 896 | P | 87.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 150.9 | 173.4 | -21.2 | 31.7 | 0 | 0 | 0 | 113.1 | F574 W635 Y665 Y878 | F574-P896 HydrophobicContact CE1-CG 4.45Å; F574-P896 HydrophobicContact CE2-CG 3.7Å; F574-P896 HydrophobicContact CZ-CB 4.09Å; F574-P896 HydrophobicContact CZ-CG 3.41Å; F574-P896 VanDerWaalsContact CZ-CG 3.41Å; W635-P896 HydrophobicContact CE3-CG 3.87Å; W635-P896 HydrophobicContact CZ3-CG 3.9Å; Y665-P896 HydrophobicContact CD1-CB 3.87Å; Y665-P896 HydrophobicContact CD2-CB 4.38Å; Y665-P896 HydrophobicContact CD2-CG 4.32Å; Y665-P896 HydrophobicContact CE1-CB 4.11Å; Y665-P896 HydrophobicContact CG-CB 4.03Å; Y665-P896 HydrophobicContact CG-CG 4.34Å; Y878-P896 HydrophobicContact CE2-CB 4.47Å |
| 897 | P | 90.4 | Very high | 85.9 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 153.7 | 179.7 | 32.6 | -36.2 | 0 | 0 | 0 | 112.8 | C663 Y665 Y878 I890 F891 | C663-P897 VanDerWaalsContact CB-O 3.25Å; C663-P897 WeakPolarHBondContact CB-O 3.43Å; Y665-P897 WeakPolarHBondContact CE1-O 3.33Å; Y878-P897 WeakPolarHBondContact OH-CD 3.37Å; I890-P897 HydrophobicContact CG2-CB 3.37Å; I890-P897 HydrophobicContact CG2-CG 3.81Å; F891-P897 HydrophobicContact CD1-CG 4.28Å; F891-P897 HydrophobicContact CE1-CG 3.7Å; F891-P897 HydrophobicContact CZ-CG 4.31Å |
| 898 | N | 91.2 | Very high | 86.1 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -87.6 | -19.3 | 173.5 | -68.1 | 18.2 | 0 | 0 | 0 | 112.7 | Y637 C663 Y665 | Y637-N898 HydrophobicContact CD1-CB 4.09Å; Y637-N898 HydrophobicContact CE1-CB 3.61Å; Y637-N898 VanDerWaalsContact CE2-ND2 3.33Å; Y637-N898 WeakPolarHBondContact CE2-ND2 3.21Å; C663-N898 PolarHBondContact N-O 3.16Å; Y665-N898 WeakPolarHBondContact CE1-OD1 3.34Å; Y665-N898 PolarHBondContact OH-OD1 2.92Å |
| 899 | E | 91.9 | Very high | 86.5 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 145.7 | 176.1 | 49 | 161.7 | -125.5 | 0 | 0 | 110.5 | K660 K661 V901 | K660-E899 IonicContact NZ-OE1 2.73Å; K660-E899 PolarHBondContact NZ-OE1 3.27Å; K660-E899 IonicContact NZ-OE2 3.8Å; K660-E899 PolarHBondContact NZ-OE2 3.36Å; K661-E899 CarbonylContact O-C 3.6Å; K661-E899 VanDerWaalsContact O-CA 3.29Å; K661-E899 WeakPolarHBondContact O-CA 3.42Å; E899-V901 WeakPolarHBondContact OE1-CG2 3.46Å |
| 900 | L | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.5 | 170.7 | -96.5 | 164.4 | 0 | 0 | 0 | 109.1 | C578 K661 L882 Y886 F891 Y902 | C578-L900 HydrophobicContact CB-CD1 4.44Å; K661-L900 HydrophobicContact CB-CB 4.28Å; K661-L900 PolarHBondContact N-O 3.45Å; K661-L900 PolarHBondContact O-N 3.48Å; L882-L900 HydrophobicContact CD1-CD1 3.85Å; L882-L900 HydrophobicContact CD2-CD1 3.97Å; Y886-L900 HydrophobicContact CD1-CD2 4.37Å; Y886-L900 HydrophobicContact CD2-CD2 3.89Å; Y886-L900 HydrophobicContact CG-CD2 3.76Å; F891-L900 HydrophobicContact CE2-CD2 3.84Å; F891-L900 HydrophobicContact CZ-CD1 4.33Å; F891-L900 HydrophobicContact CZ-CD2 3.78Å; F891-L900 HydrophobicContact CZ-CG 4.36Å; L900-Y902 HydrophobicContact CB-CE2 4.3Å |
| 901 | V | 91.1 | Very high | 87.4 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.4 | -180 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | N659 K660 Y886 D887 I890 E899 L903 | N659-V901 WeakPolarHBondContact O-CA 3.44Å; K660-V901 HydrophobicContact CG-CG2 4.34Å; Y886-V901 CarbonylContact C-O 3.58Å; Y886-V901 VanDerWaalsContact CA-O 3.28Å; Y886-V901 WeakPolarHBondContact CA-O 3.5Å; D887-V901 PolarHBondContact N-O 3Å; I890-V901 HydrophobicContact CD1-CB 3.98Å; I890-V901 HydrophobicContact CD1-CG2 4Å; E899-V901 WeakPolarHBondContact OE1-CG2 3.46Å; V901-L903 HydrophobicContact CG1-CD2 4.44Å |
| 902 | Y | 91.1 | Very high | 87.9 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -84.4 | 130.3 | 172.2 | -78.1 | -96.6 | 0 | 0 | 0 | 111 | N659 K661 P883 G885 Y886 L900 Y966 Q967 | N659-Y902 WeakPolarHBondContact CB-O 3.27Å; N659-Y902 PolarHBondContact ND2-O 3.49Å; N659-Y902 PolarHBondContact O-N 3.2Å; K661-Y902 HydrophobicContact CB-CE2 4.37Å; K661-Y902 HydrophobicContact CG-CD2 3.7Å; K661-Y902 HydrophobicContact CG-CE2 3.68Å; P883-Y902 VanDerWaalsContact O-CE1 3.32Å; P883-Y902 WeakPolarHBondContact O-CE1 3.42Å; P883-Y902 PolarHBondContact O-OH 3.06Å; G885-Y902 VanDerWaalsContact C-CD1 3.45Å; Y886-Y902 HydrophobicContact CD1-CE1 4.15Å; L900-Y902 HydrophobicContact CB-CE2 4.3Å; Y902-Y966 WeakPolarHBondContact CD1-O 3.24Å; Y902-Y966 VanDerWaalsContact CE1-O 3.31Å; Y902-Y966 WeakPolarHBondContact CE1-O 3.5Å; Y902-Q967 HydrophobicContact CE1-CB 4.17Å |
| 903 | L | 90.5 | Very high | 88.7 | Confident | 123 Ų | 123 | 44.3 Ų | 44.3 | 64% | 0.644 | 23% | 0.229 | S | C | * | . | trans | -101.4 | -31.6 | 176.7 | -55.7 | -178.6 | 0 | 0 | 0 | 111 | G885 D887 V901 | G885-L903 PolarHBondContact O-N 3.42Å; D887-L903 HydrophobicContact CB-CD1 3.96Å; D887-L903 HydrophobicContact CB-CG 4.23Å; V901-L903 HydrophobicContact CG1-CD2 4.44Å | ||
| 904 | E | 90.2 | Very high | 89.5 | Confident | 98 Ų | 98 | 40.2 Ų | 40.2 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | trans | -98.6 | 139.5 | 178.9 | -65 | 167.1 | -123.7 | 0 | 0 | 111.1 | G885 Q967 N968 | G885-E904 PolarHBondContact O-N 3.34Å; G885-E904 VanDerWaalsContact O-N 3.13Å; E904-Q967 PolarHBondContact O-N 2.81Å; E904-N968 HydrophobicContact CB-CB 4.36Å; E904-N968 WeakPolarHBondContact OE2-CB 3.49Å; E904-N968 PolarHBondContact OE2-ND2 3.2Å | ||
| 905 | T | 87.5 | Confident | 90.3 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | trans | -131.3 | 142.9 | 172.7 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | F965 Y966 | T905-F965 WeakPolarHBondContact CA-O 3.46Å; T905-Y966 HydrophobicContact CG2-CD1 3.54Å; T905-Y966 HydrophobicContact CG2-CE1 3.82Å; T905-Y966 HydrophobicContact CG2-CG 4.38Å | ||
| 906 | S | 89.7 | Confident | 90.6 | Very high | 11 Ų | 11 | 32 Ų | 32 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.7 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | T964 F965 Q967 V972 | S906-T964 CarbonylContact O-C 3.58Å; S906-T964 WeakPolarHBondContact O-CA 3.07Å; S906-F965 PolarHBondContact N-O 2.96Å; S906-F965 PolarHBondContact O-N 3.45Å; S906-Q967 WeakPolarHBondContact CB-O 3.24Å; S906-Q967 PolarHBondContact N-O 2.91Å; S906-Q967 PolarHBondContact OG-O 2.87Å; S906-V972 WeakPolarHBondContact OG-CG2 3.43Å |
| 907 | R | 90.8 | Very high | 90.5 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 39% | 0.389 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.7 | 179.7 | -58.7 | 173.8 | 82.6 | -169.5 | 11.8 | 109.8 | Q962 V963 T964 D1040 D1041 | R907-Q962 VanDerWaalsContact NH2-CD 3.35Å; R907-V963 WeakPolarHBondContact CA-O 3.49Å; R907-T964 HydrophobicContact CG-CG2 4.45Å; R907-D1040 HydrophobicContact CB-CB 3.94Å; R907-D1040 PolarHBondContact O-N 2.79Å; R907-D1041 IonicContact CZ-OD2 3.65Å; R907-D1041 IonicContact NH1-OD1 3.99Å; R907-D1041 IonicContact NH1-OD2 2.67Å; R907-D1041 PolarHBondContact NH1-OD2 3.32Å |
| 908 | F | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.9 | -179.6 | -76.7 | -97.2 | 0 | 0 | 0 | 111.4 | F910 V963 F965 A969 V972 V1004 L1006 L1037 I1038 Q1039 | F908-F910 PolarHBondContact O-N 2.82Å; F908-V963 HydrophobicContact CB-CG2 4.08Å; F908-V963 PolarHBondContact N-O 3.26Å; F908-V963 PolarHBondContact O-N 2.95Å; F908-F965 HydrophobicContact CB-CE2 4.38Å; F908-F965 AromaticContact CD2-CD2 3.84Å; F908-F965 HydrophobicContact CD2-CD2 3.84Å; F908-F965 HydrophobicContact CD2-CE2 4.02Å; F908-F965 HydrophobicContact CE2-CD2 4.33Å; F908-F965 HydrophobicContact CG-CE2 4.37Å; F908-A969 HydrophobicContact CE2-CB 4.42Å; F908-A969 HydrophobicContact CZ-CB 4.15Å; F908-V972 HydrophobicContact CD2-CG1 4.49Å; F908-V972 HydrophobicContact CE2-CB 3.99Å; F908-V972 HydrophobicContact CE2-CG1 4.02Å; F908-V972 HydrophobicContact CE2-CG2 3.71Å; F908-V972 HydrophobicContact CZ-CB 4.04Å; F908-V972 HydrophobicContact CZ-CG1 4.11Å; F908-V972 HydrophobicContact CZ-CG2 4.24Å; F908-V1004 HydrophobicContact CE1-CG1 3.79Å; F908-V1004 HydrophobicContact CZ-CG1 4.3Å; F908-L1006 HydrophobicContact CE1-CD2 3.85Å; F908-L1006 HydrophobicContact CZ-CD2 3.69Å; F908-L1037 HydrophobicContact CB-CB 4.29Å; F908-L1037 HydrophobicContact CB-CD2 3.81Å; F908-L1037 HydrophobicContact CD1-CB 3.78Å; F908-L1037 HydrophobicContact CE1-CB 4.49Å; F908-L1037 HydrophobicContact CG-CB 4.27Å; F908-L1037 HydrophobicContact CG-CD2 4.48Å; F908-I1038 CarbonylContact C-O 3.49Å; F908-I1038 VanDerWaalsContact CA-O 3.29Å; F908-I1038 WeakPolarHBondContact CA-O 3.47Å; F908-I1038 VanDerWaalsContact CD1-C 3.44Å; F908-I1038 WeakPolarHBondContact CD1-O 3.38Å; F908-Q1039 HydrophobicContact CD1-CB 4.28Å; F908-Q1039 HydrophobicContact CE1-CB 3.91Å; F908-Q1039 HydrophobicContact CZ-CB 4.35Å |
| 909 | Q | 90.8 | Very high | 89.1 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 110.4 | 162.7 | -60.1 | -169.7 | 9.9 | 0 | 0 | 108.9 | Y960 L1037 I1038 D1040 | Q909-Y960 HydrophobicContact CB-CE2 3.81Å; Q909-Y960 HydrophobicContact CG-CE2 4Å; Q909-L1037 WeakPolarHBondContact O-CA 3.35Å; Q909-I1038 HydrophobicContact CB-CB 4.42Å; Q909-I1038 PolarHBondContact N-O 2.9Å; Q909-I1038 PolarHBondContact O-N 2.89Å; Q909-D1040 HydrophobicContact CG-CB 4.16Å; Q909-D1040 VanDerWaalsContact CG-OD1 3.27Å; Q909-D1040 WeakPolarHBondContact CG-OD1 3.46Å; Q909-D1040 PolarHBondContact NE2-OD1 2.91Å |
| 910 | F | 92.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.8 | 170.9 | -177.1 | -124.6 | 0 | 0 | 0 | 109.6 | F908 C912 I935 I937 L942 Y960 K961 V963 V979 V1002 F1035 D1036 L1037 | F908-F910 PolarHBondContact O-N 2.82Å; F910-C912 WeakPolarHBondContact CE1-SG 3.31Å; F910-C912 WeakPolarHBondContact CZ-SG 3.41Å; F910-I935 HydrophobicContact CE1-CG2 4.1Å; F910-I935 HydrophobicContact CZ-CG2 4.14Å; F910-I937 HydrophobicContact CD1-CG2 3.71Å; F910-I937 HydrophobicContact CD2-CD1 3.82Å; F910-I937 HydrophobicContact CE1-CB 4.21Å; F910-I937 HydrophobicContact CE1-CD1 4.47Å; F910-I937 HydrophobicContact CE1-CG2 3.62Å; F910-I937 HydrophobicContact CE2-CD1 3.74Å; F910-I937 HydrophobicContact CG-CD1 4.24Å; F910-I937 HydrophobicContact CG-CG2 4.29Å; F910-I937 HydrophobicContact CZ-CB 4.29Å; F910-I937 HydrophobicContact CZ-CD1 4.08Å; F910-I937 HydrophobicContact CZ-CG2 4.17Å; F910-L942 HydrophobicContact CD1-CD1 4.1Å; F910-L942 HydrophobicContact CE1-CD1 4.2Å; F910-Y960 WeakPolarHBondContact O-CA 3.35Å; F910-Y960 WeakPolarHBondContact O-CD2 3.48Å; F910-K961 WeakPolarHBondContact CA-O 3.17Å; F910-K961 WeakPolarHBondContact CB-O 3.38Å; F910-K961 PolarHBondContact N-O 2.89Å; F910-K961 PolarHBondContact O-N 3.43Å; F910-V963 HydrophobicContact CB-CG1 4.06Å; F910-V963 HydrophobicContact CB-CG2 4.14Å; F910-V979 HydrophobicContact CE2-CG2 3.65Å; F910-V979 HydrophobicContact CZ-CG1 3.96Å; F910-V979 HydrophobicContact CZ-CG2 3.68Å; F910-V1002 HydrophobicContact CE2-CG2 4.16Å; F910-F1035 HydrophobicContact CE2-CB 4.22Å; F910-F1035 HydrophobicContact CE2-CD1 4.39Å; F910-F1035 HydrophobicContact CZ-CD1 4.07Å; F910-D1036 WeakPolarHBondContact CA-O 3.24Å; F910-D1036 WeakPolarHBondContact CD2-O 3.38Å; F910-L1037 HydrophobicContact CB-CD2 3.8Å; F910-L1037 HydrophobicContact CD2-CD2 3.73Å; F910-L1037 HydrophobicContact CD2-CG 4.09Å; F910-L1037 HydrophobicContact CG-CD2 4.17Å |
| 911 | R | 92.7 | Very high | 87.8 | Confident | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.038 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.8 | 177.7 | -58.9 | -173.9 | -177 | -153.5 | 1.7 | 109.6 | Y913 L959 Y960 F1035 D1036 P1050 | R911-Y913 HydrophobicContact CB-CE2 4.13Å; R911-L959 WeakPolarHBondContact CA-O 3.39Å; R911-Y960 HydrophobicContact CG-CD2 4.43Å; R911-F1035 WeakPolarHBondContact O-CA 3.44Å; R911-D1036 HydrophobicContact CB-CB 4.44Å; R911-D1036 PolarHBondContact N-O 2.74Å; R911-D1036 PolarHBondContact O-N 3.09Å; R911-P1050 PolarHBondContact NH1-O 2.73Å |
| 912 | C | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.2 | 175.8 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | F910 I914 V958 L959 F1035 | F910-C912 WeakPolarHBondContact CE1-SG 3.31Å; F910-C912 WeakPolarHBondContact CZ-SG 3.41Å; C912-I914 HydrophobicContact CB-CD1 4.16Å; C912-I914 HydrophobicContact CB-CG1 4.2Å; C912-V958 CarbonylContact O-C 3.59Å; C912-V958 VanDerWaalsContact O-CA 3.28Å; C912-V958 WeakPolarHBondContact O-CA 3.49Å; C912-L959 HydrophobicContact CB-CB 4.16Å; C912-L959 PolarHBondContact N-O 3.47Å; C912-L959 PolarHBondContact O-N 2.9Å; C912-F1035 HydrophobicContact CB-CD1 3.91Å; C912-F1035 HydrophobicContact CB-CE1 3.93Å |
| 913 | Y | 92.6 | Very high | 86 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 96.1 | 175.5 | -48.3 | -87.9 | 0 | 0 | 0 | 107.8 | R911 V958 P1014 A1033 A1034 D1036 I1152 I1156 | R911-Y913 HydrophobicContact CB-CE2 4.13Å; Y913-V958 HydrophobicContact CD1-CG1 4.22Å; Y913-V958 HydrophobicContact CD1-CG2 3.98Å; Y913-V958 HydrophobicContact CE1-CG1 4.12Å; Y913-V958 HydrophobicContact CE1-CG2 4.37Å; Y913-P1014 HydrophobicContact CD2-CG 3.97Å; Y913-P1014 HydrophobicContact CE2-CG 3.63Å; Y913-A1033 VanDerWaalsContact O-CA 3.24Å; Y913-A1033 WeakPolarHBondContact O-CA 3.36Å; Y913-A1034 HydrophobicContact CD2-CB 4.04Å; Y913-A1034 WeakPolarHBondContact CD2-O 3.36Å; Y913-A1034 PolarHBondContact N-O 3.32Å; Y913-A1034 PolarHBondContact O-N 2.89Å; Y913-D1036 HydrophobicContact CE2-CB 4.41Å; Y913-D1036 WeakPolarHBondContact CE2-OD2 3.32Å; Y913-D1036 PolarHBondContact OH-OD2 3.37Å; Y913-I1152 HydrophobicContact CD1-CG2 4.45Å; Y913-I1156 HydrophobicContact CD1-CD1 3.69Å; Y913-I1156 HydrophobicContact CD2-CD1 4.46Å; Y913-I1156 HydrophobicContact CE1-CD1 3.35Å; Y913-I1156 HydrophobicContact CE2-CD1 4.18Å; Y913-I1156 HydrophobicContact CG-CD1 4.24Å; Y913-I1156 HydrophobicContact CG-CG2 4.43Å |
| 914 | I | 91.5 | Very high | 85 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 102.8 | -175 | -51.5 | -58.5 | 0 | 0 | 0 | 108.5 | C912 I935 T944 W955 D956 V957 L959 L1031 A1033 F1035 | C912-I914 HydrophobicContact CB-CD1 4.16Å; C912-I914 HydrophobicContact CB-CG1 4.2Å; I914-I935 HydrophobicContact CD1-CD1 4.3Å; I914-I935 HydrophobicContact CD1-CG1 4.05Å; I914-I935 HydrophobicContact CG1-CD1 4.23Å; I914-I935 HydrophobicContact CG1-CG1 4.47Å; I914-T944 HydrophobicContact CB-CG2 4.33Å; I914-T944 HydrophobicContact CG1-CG2 4.47Å; I914-T944 HydrophobicContact CG2-CG2 3.94Å; I914-W955 HydrophobicContact CG2-CB 4.44Å; I914-W955 HydrophobicContact CG2-CD2 4.25Å; I914-W955 HydrophobicContact CG2-CE3 3.68Å; I914-W955 HydrophobicContact CG2-CZ3 4.27Å; I914-D956 PolarHBondContact O-N 2.99Å; I914-V957 HydrophobicContact CB-CG1 3.97Å; I914-V957 PolarHBondContact N-O 2.99Å; I914-V957 PolarHBondContact O-N 3Å; I914-L959 HydrophobicContact CG1-CD1 4.47Å; I914-L1031 HydrophobicContact CG2-CD1 4.38Å; I914-A1033 HydrophobicContact CD1-CB 3.98Å; I914-F1035 HydrophobicContact CD1-CE1 3.79Å; I914-F1035 HydrophobicContact CD1-CZ 3.89Å |
| 915 | F | 87.2 | Confident | 83.5 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -68.5 | -170.9 | -173.1 | -132.6 | 0 | 0 | 0 | 112.4 | M954 W955 D956 L1016 L1032 M1136 I1152 | F915-M954 HydrophobicContact CE2-SD 4.07Å; F915-M954 HydrophobicContact CZ-SD 4.12Å; F915-M954 CarbonylContact O-C 3.53Å; F915-M954 WeakPolarHBondContact O-CA 3.28Å; F915-M954 WeakPolarHBondContact O-CG 3.41Å; F915-W955 PolarHBondContact O-N 2.94Å; F915-D956 HydrophobicContact CD2-CB 4.27Å; F915-D956 HydrophobicContact CE2-CB 4.46Å; F915-D956 PolarHBondContact O-N 3.43Å; F915-L1016 HydrophobicContact CB-CD1 3.9Å; F915-L1016 HydrophobicContact CB-CD2 4.2Å; F915-L1016 HydrophobicContact CD1-CD1 3.91Å; F915-L1016 HydrophobicContact CG-CD1 4Å; F915-L1032 HydrophobicContact CD1-CD2 3.85Å; F915-L1032 HydrophobicContact CD1-CG 4.25Å; F915-L1032 HydrophobicContact CE1-CD2 4.4Å; F915-L1032 PolarHBondContact N-O 3.08Å; F915-M1136 HydrophobicContact CZ-CE 4.46Å; F915-I1152 HydrophobicContact CB-CD1 3.81Å; F915-I1152 HydrophobicContact CD2-CD1 4.15Å; F915-I1152 HydrophobicContact CG-CD1 4.38Å |
| 916 | I | 85 | Confident | 82.3 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148 | -174.4 | -176.6 | 172 | 0 | 0 | 0 | 111.1 | P953 M954 W1018 L1032 M1136 P1230 | I916-P953 CarbonylContact C-O 3.54Å; I916-P953 VanDerWaalsContact CA-O 3.22Å; I916-P953 WeakPolarHBondContact CA-O 3.48Å; I916-P953 WeakPolarHBondContact CG1-O 3.37Å; I916-M954 HydrophobicContact CB-CB 4.09Å; I916-M954 HydrophobicContact CB-CG 4.23Å; I916-M954 HydrophobicContact CD1-CB 4.17Å; I916-M954 HydrophobicContact CD1-CE 4.26Å; I916-M954 HydrophobicContact CD1-SD 4.33Å; I916-M954 HydrophobicContact CG1-CB 3.97Å; I916-W1018 HydrophobicContact CG2-CH2 4.05Å; I916-L1032 HydrophobicContact CG2-CB 3.75Å; I916-L1032 HydrophobicContact CG2-CD2 3.82Å; I916-L1032 HydrophobicContact CG2-CG 4.28Å; I916-L1032 WeakPolarHBondContact O-CA 3.49Å; I916-L1032 WeakPolarHBondContact O-CB 3.36Å; I916-L1032 PolarHBondContact O-N 3.4Å; I916-M1136 HydrophobicContact CD1-CE 4.24Å; I916-P1230 HydrophobicContact CD1-CB 3.88Å |
| 917 | A | 86.5 | Confident | 81 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 160 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L920 S952 P953 W955 I983 E1030 L1031 | A917-L920 HydrophobicContact CB-CD1 4.3Å; A917-L920 HydrophobicContact CB-CD2 3.98Å; A917-L920 HydrophobicContact CB-CG 4.25Å; A917-S952 CarbonylContact O-C 3.51Å; A917-S952 VanDerWaalsContact O-C 3.24Å; A917-S952 WeakPolarHBondContact O-CA 3.37Å; A917-P953 HydrophobicContact CB-CG 4.05Å; A917-P953 PolarHBondContact N-O 3.26Å; A917-W955 HydrophobicContact CB-CH2 4.25Å; A917-W955 HydrophobicContact CB-CZ3 3.94Å; A917-I983 HydrophobicContact CB-CD1 4.4Å; A917-E1030 CarbonylContact C-O 3.57Å; A917-E1030 VanDerWaalsContact CA-O 3.25Å; A917-E1030 WeakPolarHBondContact CA-O 3.27Å; A917-E1030 WeakPolarHBondContact CB-O 3.19Å; A917-L1031 HydrophobicContact CB-CD1 3.96Å |
| 918 | R | 78.2 | Confident | 80.2 | Confident | 40 Ų | 40 | 19.6 Ų | 19.6 | 15% | 0.151 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 158.8 | 174.5 | 68.6 | 176.8 | 170.5 | -159 | -3.1 | 112 | L920 W1018 G1029 E1030 P1231 | R918-L920 VanDerWaalsContact C-N 3.27Å; R918-L920 PolarHBondContact O-N 3.13Å; R918-W1018 HydrophobicContact CB-CH2 4.18Å; R918-W1018 HydrophobicContact CB-CZ3 4.29Å; R918-W1018 HydrophobicContact CG-CE3 4.42Å; R918-W1018 HydrophobicContact CG-CH2 3.79Å; R918-W1018 HydrophobicContact CG-CZ3 3.67Å; R918-G1029 WeakPolarHBondContact O-CA 3.36Å; R918-E1030 HydrophobicContact CG-CB 4.28Å; R918-E1030 IonicContact CZ-OE2 3.22Å; R918-E1030 PolarHBondContact N-O 2.86Å; R918-E1030 IonicContact NE-OE2 2.64Å; R918-E1030 PolarHBondContact NE-OE2 2.96Å; R918-E1030 IonicContact NH2-OE2 3.77Å; R918-E1030 PolarHBondContact NH2-OE2 3.21Å; R918-E1030 PolarHBondContact O-N 2.91Å; R918-P1231 HydrophobicContact CB-CG 3.95Å |
| 919 | D | 74.4 | Confident | 79.6 | Confident | 45 Ų | 45 | 19.6 Ų | 19.6 | 24% | 0.241 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 51.1 | 45.7 | 173.4 | -55.6 | -44.2 | 0 | 0 | 0 | 112.4 | G1029 K1591 | D919-G1029 WeakPolarHBondContact O-CA 3.49Å; D919-G1029 PolarHBondContact O-N 3.21Å; D919-K1591 WeakPolarHBondContact O-CE 3.11Å; D919-K1591 PolarHBondContact O-NZ 3.5Å |
| 920 | L | 81.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -65.8 | -171.2 | 178.2 | -67.5 | -173.1 | 0 | 0 | 0 | 112.6 | A917 R918 P931 M951 P953 I983 M995 G1028 K1591 | A917-L920 HydrophobicContact CB-CD1 4.3Å; A917-L920 HydrophobicContact CB-CD2 3.98Å; A917-L920 HydrophobicContact CB-CG 4.25Å; R918-L920 VanDerWaalsContact C-N 3.27Å; R918-L920 PolarHBondContact O-N 3.13Å; L920-P931 HydrophobicContact CD1-CB 3.91Å; L920-P931 HydrophobicContact CD1-CG 4.22Å; L920-M951 WeakPolarHBondContact CB-O 3.23Å; L920-M951 PolarHBondContact N-O 2.87Å; L920-M951 WeakPolarHBondContact O-CE 3.4Å; L920-P953 VanDerWaalsContact CD1-CD 3.45Å; L920-P953 HydrophobicContact CD1-CG 3.62Å; L920-I983 HydrophobicContact CD1-CG2 4.2Å; L920-I983 HydrophobicContact CD2-CD1 3.77Å; L920-M995 HydrophobicContact CB-CE 4Å; L920-M995 HydrophobicContact CD1-CE 4.02Å; L920-G1028 WeakPolarHBondContact CA-O 3.45Å; L920-K1591 WeakPolarHBondContact O-CD 3.34Å; L920-K1591 WeakPolarHBondContact O-CE 3.3Å; L920-K1591 PolarHBondContact O-NZ 2.88Å | ||
| 921 | I | 74.9 | Confident | 79.2 | Confident | 26 Ų | 26 | 18.5 Ų | 18.5 | 13% | 0.133 | 11% | 0.113 | C | C | . | . | trans | -101.2 | 132.9 | 171.4 | -72.5 | 174 | 0 | 0 | 0 | 108.7 | S929 M995 R1023 | I921-S929 PolarHBondContact O-OG 3.25Å; I921-M995 WeakPolarHBondContact O-CE 3.32Å; I921-R1023 HydrophobicContact CD1-CB 3.94Å; I921-R1023 HydrophobicContact CD1-CG 4.43Å | ||
| 922 | A | 70.4 | Confident | 79.2 | Confident | 26 Ų | 26 | 18.2 Ų | 18.2 | 22% | 0.215 | 11% | 0.112 | C | C | . | . | trans | -76.3 | 124.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G927 M928 S929 M951 K1591 | A922-G927 WeakPolarHBondContact CB-O 3.31Å; A922-M928 WeakPolarHBondContact CA-O 3.42Å; A922-S929 VanDerWaalsContact CA-OG 3.31Å; A922-S929 WeakPolarHBondContact CA-OG 3.45Å; A922-M951 VanDerWaalsContact CA-SD 3.54Å; A922-M951 HydrophobicContact CB-CE 3.96Å; A922-M951 HydrophobicContact CB-SD 3.77Å; A922-M951 PolarHBondContact N-SD 3.13Å; A922-K1591 HydrophobicContact CB-CB 4.33Å | ||
| 923 | S | 74.1 | Confident | 79.1 | Confident | 33 Ų | 33 | 18.2 Ų | 18.2 | 23% | 0.231 | 11% | 0.112 | C | C | . | . | trans | -106.1 | -44.1 | 178.5 | -67.2 | 0 | 0 | 0 | 0 | 111 | M928 S929 D985 | S923-M928 PolarHBondContact N-O 2.82Å; S923-M928 VanDerWaalsContact N-O 3.13Å; S923-S929 PolarHBondContact N-OG 3.47Å; S923-D985 WeakPolarHBondContact CB-OD2 3.22Å; S923-D985 WeakPolarHBondContact OG-CB 3.43Å; S923-D985 PolarHBondContact OG-OD2 2.93Å | ||
| 924 | D | 68.3 | Low | 79 | Confident | 20 Ų | 20 | 18.3 Ų | 18.3 | 11% | 0.107 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -57.6 | 154.6 | -175.1 | -51.5 | -7.9 | 0 | 0 | 0 | 113.8 | S926 G927 M928 S929 | D924-S926 VanDerWaalsContact CB-N 3.27Å; D924-S926 WeakPolarHBondContact CB-OG 3.47Å; D924-S926 PolarHBondContact O-N 3.12Å; D924-S926 VanDerWaalsContact O-N 3.15Å; D924-S926 PolarHBondContact OD2-OG 3.32Å; D924-G927 PolarHBondContact O-N 2.91Å; D924-G927 VanDerWaalsContact O-N 3.15Å; D924-M928 WeakPolarHBondContact CB-O 3.22Å; D924-M928 VanDerWaalsContact CG-C 3.5Å; D924-M928 VanDerWaalsContact CG-O 3.28Å; D924-M928 PolarHBondContact N-O 3.16Å; D924-M928 VanDerWaalsContact N-O 3.13Å; D924-S929 VanDerWaalsContact OD1-CA 3.26Å; D924-S929 WeakPolarHBondContact OD1-CA 3.47Å; D924-S929 PolarHBondContact OD2-N 3.41Å |
| 925 | S | 59.8 | Low | 79.1 | Confident | 118 Ų | 118 | 18.3 Ų | 18.3 | 83% | 0.825 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.3 | 156.5 | 70 | 0 | 0 | 0 | 0 | 114.1 | G927 K1589 | S925-G927 VanDerWaalsContact C-N 3.31Å; S925-K1589 WeakPolarHBondContact O-CE 3.27Å |
| 926 | S | 61.6 | Low | 79.1 | Confident | 28 Ų | 28 | 18.5 Ų | 18.5 | 20% | 0.196 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.5 | 176.3 | 90.8 | 0 | 0 | 0 | 0 | 113.3 | D924 M928 | D924-S926 VanDerWaalsContact CB-N 3.27Å; D924-S926 WeakPolarHBondContact CB-OG 3.47Å; D924-S926 PolarHBondContact O-N 3.12Å; D924-S926 VanDerWaalsContact O-N 3.15Å; D924-S926 PolarHBondContact OD2-OG 3.32Å; S926-M928 VanDerWaalsContact C-N 3.35Å; S926-M928 WeakPolarHBondContact OG-CB 3.49Å; S926-M928 PolarHBondContact OG-N 3.38Å |
| 927 | G | 63.2 | Low | 79.1 | Confident | 5 Ų | 5 | 18.6 Ų | 18.6 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 85.3 | 3.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A922 D924 S925 G1590 | A922-G927 WeakPolarHBondContact CB-O 3.31Å; D924-G927 PolarHBondContact O-N 2.91Å; D924-G927 VanDerWaalsContact O-N 3.15Å; S925-G927 VanDerWaalsContact C-N 3.31Å; G927-G1590 WeakPolarHBondContact O-CA 3.32Å |
| 928 | M | 72.3 | Confident | 78.7 | Confident | 13 Ų | 13 | 19.8 Ų | 19.8 | 6% | 0.064 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -110 | -157.4 | 170 | -52.4 | -61 | -75.2 | 0 | 0 | 109.5 | A922 S923 D924 S926 Q949 M951 | A922-M928 WeakPolarHBondContact CA-O 3.42Å; S923-M928 PolarHBondContact N-O 2.82Å; S923-M928 VanDerWaalsContact N-O 3.13Å; D924-M928 WeakPolarHBondContact CB-O 3.22Å; D924-M928 VanDerWaalsContact CG-C 3.5Å; D924-M928 VanDerWaalsContact CG-O 3.28Å; D924-M928 PolarHBondContact N-O 3.16Å; D924-M928 VanDerWaalsContact N-O 3.13Å; S926-M928 VanDerWaalsContact C-N 3.35Å; S926-M928 WeakPolarHBondContact OG-CB 3.49Å; S926-M928 PolarHBondContact OG-N 3.38Å; M928-Q949 HydrophobicContact CB-CB 4.46Å; M928-Q949 WeakPolarHBondContact CE-O 3.33Å; M928-M951 HydrophobicContact CE-CB 4.19Å; M928-M951 HydrophobicContact CE-CG 3.88Å; M928-M951 HydrophobicContact SD-CG 3.94Å |
| 929 | S | 80.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -151.2 | 164.9 | 172 | -57 | 0 | 0 | 0 | 0 | 109.6 | I921 A922 S923 D924 P931 Q949 T950 D985 M995 | I921-S929 PolarHBondContact O-OG 3.25Å; A922-S929 VanDerWaalsContact CA-OG 3.31Å; A922-S929 WeakPolarHBondContact CA-OG 3.45Å; S923-S929 PolarHBondContact N-OG 3.47Å; D924-S929 VanDerWaalsContact OD1-CA 3.26Å; D924-S929 WeakPolarHBondContact OD1-CA 3.47Å; D924-S929 PolarHBondContact OD2-N 3.41Å; S929-P931 WeakPolarHBondContact O-CD 3.43Å; S929-Q949 CarbonylContact O-C 3.57Å; S929-Q949 WeakPolarHBondContact O-CA 3.37Å; S929-Q949 PolarHBondContact O-N 3.37Å; S929-T950 PolarHBondContact O-N 2.84Å; S929-D985 WeakPolarHBondContact CA-OD1 3.14Å; S929-D985 WeakPolarHBondContact CB-OD1 3.36Å; S929-M995 WeakPolarHBondContact OG-CE 3.21Å | ||
| 930 | D | 85.7 | Confident | 79.1 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | trans | -107.8 | 66.6 | 171.8 | -70.4 | -20.5 | 0 | 0 | 0 | 111.2 | V946 Y948 Q949 D985 I986 | D930-V946 HydrophobicContact CB-CG1 4.23Å; D930-V946 WeakPolarHBondContact O-CG1 3.32Å; D930-Y948 HydrophobicContact CB-CD1 4.07Å; D930-Y948 WeakPolarHBondContact OD1-CA 3.35Å; D930-Y948 WeakPolarHBondContact OD2-CD1 3.14Å; D930-Q949 PolarHBondContact OD1-N 2.86Å; D930-D985 PolarHBondContact N-OD1 3.34Å; D930-I986 PolarHBondContact O-N 2.82Å | ||
| 931 | P | 89.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137.1 | -168.4 | 27.5 | -39.8 | 0 | 0 | 0 | 116.2 | L920 S929 L947 T950 P953 W955 I983 F984 M995 | L920-P931 HydrophobicContact CD1-CB 3.91Å; L920-P931 HydrophobicContact CD1-CG 4.22Å; S929-P931 WeakPolarHBondContact O-CD 3.43Å; P931-L947 WeakPolarHBondContact CD-O 3.45Å; P931-L947 PolarHBondContact O-N 3.09Å; P931-L947 VanDerWaalsContact O-N 3.16Å; P931-T950 VanDerWaalsContact CD-O 3.29Å; P931-T950 WeakPolarHBondContact CD-O 3.38Å; P931-T950 HydrophobicContact CG-CG2 3.98Å; P931-T950 WeakPolarHBondContact CG-O 3.46Å; P931-P953 HydrophobicContact CB-CB 4.4Å; P931-P953 HydrophobicContact CB-CG 3.95Å; P931-P953 HydrophobicContact CG-CB 3.65Å; P931-P953 HydrophobicContact CG-CG 3.55Å; P931-W955 HydrophobicContact CB-CZ2 4.14Å; P931-I983 HydrophobicContact CB-CG2 4.09Å; P931-F984 CarbonylContact C-O 3.46Å; P931-F984 WeakPolarHBondContact CA-O 3.48Å; P931-M995 HydrophobicContact CB-CE 4.27Å; P931-M995 HydrophobicContact CB-SD 3.96Å |
| 932 | M | 91.7 | Very high | 80 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.7 | 168.6 | 176.8 | -80.4 | -68.7 | 0 | 0 | 109.4 | R934 Q943 V946 I983 F984 I986 L992 | M932-R934 HydrophobicContact CE-CB 4.42Å; M932-R934 HydrophobicContact SD-CB 3.99Å; M932-Q943 HydrophobicContact SD-CB 3.85Å; M932-V946 HydrophobicContact CB-CG2 4.34Å; M932-I983 WeakPolarHBondContact O-CA 3.4Å; M932-F984 HydrophobicContact CE-CB 4.12Å; M932-F984 HydrophobicContact CE-CD2 4.05Å; M932-F984 HydrophobicContact CE-CG 4.42Å; M932-F984 PolarHBondContact N-O 2.91Å; M932-F984 PolarHBondContact O-N 2.82Å; M932-I986 HydrophobicContact CB-CD1 3.61Å; M932-I986 HydrophobicContact CB-CG1 4.24Å; M932-I986 HydrophobicContact CE-CD1 3.88Å; M932-I986 HydrophobicContact CG-CD1 4.04Å; M932-L992 HydrophobicContact CE-CD2 3.53Å |
| 933 | A | 92.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q943 T944 W955 V981 E982 | A933-Q943 CarbonylContact O-C 3.56Å; A933-Q943 WeakPolarHBondContact O-CA 3.41Å; A933-T944 HydrophobicContact CB-CG2 3.87Å; A933-T944 PolarHBondContact N-OG1 3.49Å; A933-T944 PolarHBondContact O-N 3.3Å; A933-T944 PolarHBondContact O-OG1 2.78Å; A933-W955 HydrophobicContact CB-CH2 3.8Å; A933-W955 HydrophobicContact CB-CZ2 3.87Å; A933-W955 HydrophobicContact CB-CZ3 4.21Å; A933-V981 HydrophobicContact CB-CG1 4.08Å; A933-E982 CarbonylContact C-O 3.54Å; A933-E982 WeakPolarHBondContact CA-O 3.39Å |
| 934 | R | 90.8 | Very high | 81.7 | Confident | 9 Ų | 9 | 23.2 Ų | 23.2 | 3% | 0.034 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.1 | -178.3 | -177.9 | 178.5 | -64.4 | -176 | -8.7 | 110.1 | E651 M932 L936 V941 L942 V981 E982 F984 | E651-R934 VanDerWaalsContact CD-NH2 3.26Å; E651-R934 IonicContact OE1-CZ 3.35Å; E651-R934 VanDerWaalsContact OE1-CZ 3.28Å; E651-R934 IonicContact OE1-NH1 2.7Å; E651-R934 PolarHBondContact OE1-NH1 3.23Å; E651-R934 IonicContact OE1-NH2 3.22Å; E651-R934 PolarHBondContact OE1-NH2 3.25Å; E651-R934 IonicContact OE2-CZ 3.93Å; E651-R934 IonicContact OE2-NE 2.66Å; E651-R934 IonicContact OE2-NH1 3.44Å; E651-R934 PolarHBondContact OE2-NH1 3.05Å; E651-R934 VanDerWaalsContact OE2-NH1 3.14Å; E651-R934 IonicContact OE2-NH2 2.81Å; E651-R934 PolarHBondContact OE2-NH2 3.41Å; M932-R934 HydrophobicContact CE-CB 4.42Å; M932-R934 HydrophobicContact SD-CB 3.99Å; R934-L936 HydrophobicContact CG-CD2 4.05Å; R934-V941 HydrophobicContact CG-CG1 3.77Å; R934-L942 CarbonylContact C-O 3.51Å; R934-L942 WeakPolarHBondContact CA-O 3.33Å; R934-V981 CarbonylContact O-C 3.57Å; R934-V981 WeakPolarHBondContact O-CA 3.31Å; R934-E982 HydrophobicContact CB-CB 4.45Å; R934-E982 PolarHBondContact N-O 3.49Å; R934-E982 PolarHBondContact O-N 2.98Å; R934-F984 HydrophobicContact CB-CD2 4.26Å; R934-F984 HydrophobicContact CB-CE2 4.15Å |
| 935 | I | 92.2 | Very high | 82.4 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129 | -174.3 | -51.7 | 70.1 | 0 | 0 | 0 | 108.9 | F910 I914 V941 L942 L959 V979 I980 V981 F1035 | F910-I935 HydrophobicContact CE1-CG2 4.1Å; F910-I935 HydrophobicContact CZ-CG2 4.14Å; I914-I935 HydrophobicContact CD1-CD1 4.3Å; I914-I935 HydrophobicContact CD1-CG1 4.05Å; I914-I935 HydrophobicContact CG1-CD1 4.23Å; I914-I935 HydrophobicContact CG1-CG1 4.47Å; I935-V941 WeakPolarHBondContact O-CA 3.45Å; I935-L942 HydrophobicContact CB-CB 4.32Å; I935-L942 PolarHBondContact N-O 2.7Å; I935-L942 PolarHBondContact O-N 3.33Å; I935-L959 HydrophobicContact CD1-CD1 3.66Å; I935-V979 HydrophobicContact CG2-CG1 3.57Å; I935-I980 CarbonylContact C-O 3.35Å; I935-I980 WeakPolarHBondContact CA-O 3.33Å; I935-V981 HydrophobicContact CG1-CG1 4.23Å; I935-V981 HydrophobicContact CG1-CG2 4.14Å; I935-V981 HydrophobicContact CG2-CG2 4.39Å; I935-F1035 HydrophobicContact CG1-CE1 4.49Å; I935-F1035 HydrophobicContact CG2-CE1 4.09Å |
| 936 | L | 86.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 18.4 Ų | 18.4 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.9 | -178.5 | -41.9 | 172.5 | 0 | 0 | 0 | 110.7 | V584 Y652 R934 H940 V941 I980 E982 | V584-L936 HydrophobicContact CG1-CD1 4.12Å; V584-L936 HydrophobicContact CG2-CD1 4.03Å; Y652-L936 HydrophobicContact CD2-CD1 4.31Å; Y652-L936 HydrophobicContact CD2-CD2 3.86Å; Y652-L936 HydrophobicContact CE2-CD1 3.93Å; Y652-L936 HydrophobicContact CE2-CD2 3.98Å; R934-L936 HydrophobicContact CG-CD2 4.05Å; L936-H940 WeakPolarHBondContact CA-O 3.49Å; L936-V941 HydrophobicContact CD2-CB 4.2Å; L936-V941 HydrophobicContact CD2-CG1 3.86Å; L936-V941 HydrophobicContact CD2-CG2 3.63Å; L936-I980 HydrophobicContact CB-CB 4.19Å; L936-I980 HydrophobicContact CD1-CB 4.32Å; L936-I980 HydrophobicContact CD1-CG2 4.1Å; L936-I980 HydrophobicContact CG-CB 4.46Å; L936-I980 PolarHBondContact N-O 3.4Å; L936-I980 PolarHBondContact O-N 2.97Å; L936-I980 VanDerWaalsContact O-N 3.15Å; L936-E982 HydrophobicContact CD1-CG 4.45Å |
| 937 | I | 85.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 115.6 | 170.4 | -171 | 172.5 | 0 | 0 | 0 | 111.8 | F910 S939 H940 V963 F965 Q977 V979 L1037 | F910-I937 HydrophobicContact CD1-CG2 3.71Å; F910-I937 HydrophobicContact CD2-CD1 3.82Å; F910-I937 HydrophobicContact CE1-CB 4.21Å; F910-I937 HydrophobicContact CE1-CD1 4.47Å; F910-I937 HydrophobicContact CE1-CG2 3.62Å; F910-I937 HydrophobicContact CE2-CD1 3.74Å; F910-I937 HydrophobicContact CG-CD1 4.24Å; F910-I937 HydrophobicContact CG-CG2 4.29Å; F910-I937 HydrophobicContact CZ-CB 4.29Å; F910-I937 HydrophobicContact CZ-CD1 4.08Å; F910-I937 HydrophobicContact CZ-CG2 4.17Å; I937-S939 PolarHBondContact O-N 3.21Å; I937-S939 VanDerWaalsContact O-N 3.14Å; I937-H940 HydrophobicContact CG2-CB 4.2Å; I937-H940 PolarHBondContact N-O 3.36Å; I937-H940 PolarHBondContact O-N 3.31Å; I937-H940 PolarHBondContact O-ND1 3Å; I937-V963 HydrophobicContact CG2-CG1 4.22Å; I937-F965 HydrophobicContact CD1-CZ 4.35Å; I937-Q977 HydrophobicContact CD1-CB 4.22Å; I937-V979 HydrophobicContact CD1-CG2 4.22Å; I937-L1037 HydrophobicContact CD1-CD1 4.32Å; I937-L1037 HydrophobicContact CD1-CD2 4.24Å |
| 938 | G | 77.7 | Confident | 85.2 | Confident | 25 Ų | 25 | 25 Ų | 25 | 26% | 0.258 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -111.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S583 | S583-G938 WeakPolarHBondContact CB-O 3.46Å; S583-G938 PolarHBondContact OG-O 2.83Å |
| 939 | S | 77.3 | Confident | 85.2 | Confident | 39 Ų | 39 | 29.8 Ų | 29.8 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -7.2 | 172.3 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | I937 | I937-S939 PolarHBondContact O-N 3.21Å; I937-S939 VanDerWaalsContact O-N 3.14Å |
| 940 | H | 84.1 | Confident | 84.9 | Confident | 45 Ų | 45 | 30.9 Ų | 30.9 | 21% | 0.208 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.8 | -170.8 | -49.8 | 88.9 | 0 | 0 | 0 | 112 | L936 I937 K961 | L936-H940 WeakPolarHBondContact CA-O 3.49Å; I937-H940 HydrophobicContact CG2-CB 4.2Å; I937-H940 PolarHBondContact N-O 3.36Å; I937-H940 PolarHBondContact O-N 3.31Å; I937-H940 PolarHBondContact O-ND1 3Å; H940-K961 HydrophobicContact CB-CG 4.39Å |
| 941 | V | 86.2 | Confident | 84.3 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 24% | 0.242 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | D649 R934 I935 L936 | D649-V941 VanDerWaalsContact OD2-CG2 3.27Å; D649-V941 WeakPolarHBondContact OD2-CG2 3.32Å; R934-V941 HydrophobicContact CG-CG1 3.77Å; I935-V941 WeakPolarHBondContact O-CA 3.45Å; L936-V941 HydrophobicContact CD2-CB 4.2Å; L936-V941 HydrophobicContact CD2-CG1 3.86Å; L936-V941 HydrophobicContact CD2-CG2 3.63Å |
| 942 | L | 89.2 | Confident | 83.7 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.5 | 172 | -68 | 172.7 | 0 | 0 | 0 | 108.9 | F910 R934 I935 L959 K961 | F910-L942 HydrophobicContact CD1-CD1 4.1Å; F910-L942 HydrophobicContact CE1-CD1 4.2Å; R934-L942 CarbonylContact C-O 3.51Å; R934-L942 WeakPolarHBondContact CA-O 3.33Å; I935-L942 HydrophobicContact CB-CB 4.32Å; I935-L942 PolarHBondContact N-O 2.7Å; I935-L942 PolarHBondContact O-N 3.33Å; L942-L959 HydrophobicContact CB-CD1 4.29Å; L942-L959 HydrophobicContact CD1-CB 4.09Å; L942-K961 HydrophobicContact CD1-CB 4.12Å; L942-K961 HydrophobicContact CD2-CB 4.27Å; L942-K961 HydrophobicContact CG-CB 4.45Å |
| 943 | Q | 89.6 | Confident | 83.2 | Confident | 87 Ų | 87 | 31.7 Ų | 31.7 | 41% | 0.407 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.2 | 179.5 | 58.1 | -175.5 | -1.9 | 0 | 0 | 111.9 | M932 A933 R1146 | M932-Q943 HydrophobicContact SD-CB 3.85Å; A933-Q943 CarbonylContact O-C 3.56Å; A933-Q943 WeakPolarHBondContact O-CA 3.41Å; Q943-R1146 PolarHBondContact O-NH2 3.43Å |
| 944 | T | 90.1 | Very high | 82.6 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | trans | -72.1 | 177.2 | 172.1 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | I914 A933 W955 V957 L959 R1146 | I914-T944 HydrophobicContact CB-CG2 4.33Å; I914-T944 HydrophobicContact CG1-CG2 4.47Å; I914-T944 HydrophobicContact CG2-CG2 3.94Å; A933-T944 HydrophobicContact CB-CG2 3.87Å; A933-T944 PolarHBondContact N-OG1 3.49Å; A933-T944 PolarHBondContact O-N 3.3Å; A933-T944 PolarHBondContact O-OG1 2.78Å; T944-W955 HydrophobicContact CG2-CB 4.27Å; T944-W955 HydrophobicContact CG2-CD2 4.2Å; T944-W955 HydrophobicContact CG2-CG 3.93Å; T944-W955 PolarHBondContact OG1-NE1 2.93Å; T944-W955 VanDerWaalsContact OG1-NE1 3.17Å; T944-V957 HydrophobicContact CG2-CG1 3.94Å; T944-L959 HydrophobicContact CG2-CD1 4.17Å; T944-R1146 VanDerWaalsContact C-NH2 3.35Å; T944-R1146 PolarHBondContact O-NH1 3.43Å | ||
| 945 | Q | 83.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | trans | -67.3 | 158 | 156.8 | 74.1 | -77.2 | 33.7 | 0 | 0 | 111.1 | L947 W955 V1144 | Q945-L947 HydrophobicContact CG-CD2 4.2Å; Q945-W955 PolarHBondContact NE2-O 2.83Å; Q945-W955 PolarHBondContact O-NE1 2.75Å; Q945-V1144 HydrophobicContact CG-CG1 4.45Å | ||
| 946 | V | 85 | Confident | 81.9 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | trans | -79.9 | 141.6 | 170.9 | -166.3 | 0 | 0 | 0 | 0 | 108.7 | D930 M932 Y948 I986 | D930-V946 HydrophobicContact CB-CG1 4.23Å; D930-V946 WeakPolarHBondContact O-CG1 3.32Å; M932-V946 HydrophobicContact CB-CG2 4.34Å; V946-Y948 HydrophobicContact CB-CE1 4.43Å; V946-Y948 HydrophobicContact CB-CE2 4.48Å; V946-Y948 HydrophobicContact CG1-CD1 4.26Å; V946-Y948 HydrophobicContact CG1-CE1 3.89Å; V946-I986 HydrophobicContact CG1-CB 4.34Å; V946-I986 HydrophobicContact CG2-CD1 3.95Å | ||
| 947 | L | 79.7 | Confident | 82 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | trans | -122.9 | 107.5 | 173.5 | -67.2 | 178.4 | 0 | 0 | 0 | 109.8 | P931 Q945 T950 P953 M954 W955 L1141 | P931-L947 WeakPolarHBondContact CD-O 3.45Å; P931-L947 PolarHBondContact O-N 3.09Å; P931-L947 VanDerWaalsContact O-N 3.16Å; Q945-L947 HydrophobicContact CG-CD2 4.2Å; L947-T950 HydrophobicContact CB-CG2 3.94Å; L947-T950 VanDerWaalsContact O-CG2 3.31Å; L947-T950 WeakPolarHBondContact O-CG2 3.49Å; L947-P953 HydrophobicContact CB-CB 4.29Å; L947-P953 HydrophobicContact CD1-CB 3.86Å; L947-M954 VanDerWaalsContact CD1-C 3.49Å; L947-M954 VanDerWaalsContact CD1-O 3.31Å; L947-M954 WeakPolarHBondContact CD1-O 3.46Å; L947-W955 HydrophobicContact CD1-CB 4.49Å; L947-W955 VanDerWaalsContact CD1-CD1 3.48Å; L947-W955 HydrophobicContact CD1-CD2 4.33Å; L947-W955 HydrophobicContact CD1-CG 3.87Å; L947-L1141 HydrophobicContact CD1-CD2 4.25Å; L947-L1141 HydrophobicContact CD2-CD2 3.68Å | ||
| 948 | Y | 77.9 | Confident | 82.2 | Confident | 153 Ų | 153 | 31.3 Ų | 31.3 | 60% | 0.6 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | 143.3 | -169.8 | -56 | -82.1 | 0 | 0 | 0 | 113.8 | D930 V946 T950 | D930-Y948 HydrophobicContact CB-CD1 4.07Å; D930-Y948 WeakPolarHBondContact OD1-CA 3.35Å; D930-Y948 WeakPolarHBondContact OD2-CD1 3.14Å; V946-Y948 HydrophobicContact CB-CE1 4.43Å; V946-Y948 HydrophobicContact CB-CE2 4.48Å; V946-Y948 HydrophobicContact CG1-CD1 4.26Å; V946-Y948 HydrophobicContact CG1-CE1 3.89Å; Y948-T950 PolarHBondContact O-N 3.01Å |
| 949 | Q | 73 | Confident | 82.8 | Confident | 115 Ų | 115 | 30.5 Ų | 30.5 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 48.7 | 173.9 | -60.6 | -177.4 | 0.4 | 0 | 0 | 114.3 | M928 S929 D930 | M928-Q949 HydrophobicContact CB-CB 4.46Å; M928-Q949 WeakPolarHBondContact CE-O 3.33Å; S929-Q949 CarbonylContact O-C 3.57Å; S929-Q949 WeakPolarHBondContact O-CA 3.37Å; S929-Q949 PolarHBondContact O-N 3.37Å; D930-Q949 PolarHBondContact OD1-N 2.86Å |
| 950 | T | 73.3 | Confident | 83.3 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | trans | -137.8 | 136.2 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 114.7 | S929 P931 L947 Y948 S952 P953 | S929-T950 PolarHBondContact O-N 2.84Å; P931-T950 VanDerWaalsContact CD-O 3.29Å; P931-T950 WeakPolarHBondContact CD-O 3.38Å; P931-T950 HydrophobicContact CG-CG2 3.98Å; P931-T950 WeakPolarHBondContact CG-O 3.46Å; L947-T950 HydrophobicContact CB-CG2 3.94Å; L947-T950 VanDerWaalsContact O-CG2 3.31Å; L947-T950 WeakPolarHBondContact O-CG2 3.49Å; Y948-T950 PolarHBondContact O-N 3.01Å; T950-S952 PolarHBondContact OG1-N 3.19Å; T950-S952 VanDerWaalsContact OG1-N 3.11Å; T950-S952 PolarHBondContact OG1-O 3.31Å; T950-P953 HydrophobicContact CG2-CB 3.93Å | ||
| 951 | M | 74.3 | Confident | 83.5 | Confident | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -93.5 | -4.4 | 173.9 | -73.2 | -71.2 | -71.9 | 0 | 0 | 113.1 | L920 A922 M928 K1591 | L920-M951 WeakPolarHBondContact CB-O 3.23Å; L920-M951 PolarHBondContact N-O 2.87Å; L920-M951 WeakPolarHBondContact O-CE 3.4Å; A922-M951 VanDerWaalsContact CA-SD 3.54Å; A922-M951 HydrophobicContact CB-CE 3.96Å; A922-M951 HydrophobicContact CB-SD 3.77Å; A922-M951 PolarHBondContact N-SD 3.13Å; M928-M951 HydrophobicContact CE-CB 4.19Å; M928-M951 HydrophobicContact CE-CG 3.88Å; M928-M951 HydrophobicContact SD-CG 3.94Å; M951-K1591 HydrophobicContact CE-CB 3.78Å; M951-K1591 HydrophobicContact CE-CD 4.43Å; M951-K1591 HydrophobicContact CE-CG 3.79Å |
| 952 | S | 75.9 | Confident | 83.7 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -142 | 64.6 | -178.5 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | A917 T950 P1231 | A917-S952 CarbonylContact O-C 3.51Å; A917-S952 VanDerWaalsContact O-C 3.24Å; A917-S952 WeakPolarHBondContact O-CA 3.37Å; T950-S952 PolarHBondContact OG1-N 3.19Å; T950-S952 VanDerWaalsContact OG1-N 3.11Å; T950-S952 PolarHBondContact OG1-O 3.31Å; S952-P1231 WeakPolarHBondContact OG-CG 3.45Å |
| 953 | P | 82.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | trans | -66.4 | 138 | -174.3 | 27.3 | -36.7 | 0 | 0 | 0 | 112.5 | I916 A917 L920 P931 L947 T950 W955 | I916-P953 CarbonylContact C-O 3.54Å; I916-P953 VanDerWaalsContact CA-O 3.22Å; I916-P953 WeakPolarHBondContact CA-O 3.48Å; I916-P953 WeakPolarHBondContact CG1-O 3.37Å; A917-P953 HydrophobicContact CB-CG 4.05Å; A917-P953 PolarHBondContact N-O 3.26Å; L920-P953 VanDerWaalsContact CD1-CD 3.45Å; L920-P953 HydrophobicContact CD1-CG 3.62Å; P931-P953 HydrophobicContact CB-CB 4.4Å; P931-P953 HydrophobicContact CB-CG 3.95Å; P931-P953 HydrophobicContact CG-CB 3.65Å; P931-P953 HydrophobicContact CG-CG 3.55Å; L947-P953 HydrophobicContact CB-CB 4.29Å; L947-P953 HydrophobicContact CD1-CB 3.86Å; T950-P953 HydrophobicContact CG2-CB 3.93Å; P953-W955 HydrophobicContact CB-CD2 4.26Å; P953-W955 HydrophobicContact CB-CE3 4.36Å; P953-W955 HydrophobicContact CB-CH2 3.9Å; P953-W955 HydrophobicContact CB-CZ2 3.73Å; P953-W955 HydrophobicContact CB-CZ3 4.19Å; P953-W955 HydrophobicContact CG-CE3 4.4Å; P953-W955 HydrophobicContact CG-CH2 3.32Å; P953-W955 HydrophobicContact CG-CZ2 3.59Å; P953-W955 HydrophobicContact CG-CZ3 3.75Å | ||
| 954 | M | 79.8 | Confident | 83.7 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 5% | 0.054 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 100.1 | 173.6 | 176.3 | 160.7 | 29.8 | 0 | 0 | 109.8 | F915 I916 L947 M1136 L1141 G1193 | F915-M954 HydrophobicContact CE2-SD 4.07Å; F915-M954 HydrophobicContact CZ-SD 4.12Å; F915-M954 CarbonylContact O-C 3.53Å; F915-M954 WeakPolarHBondContact O-CA 3.28Å; F915-M954 WeakPolarHBondContact O-CG 3.41Å; I916-M954 HydrophobicContact CB-CB 4.09Å; I916-M954 HydrophobicContact CB-CG 4.23Å; I916-M954 HydrophobicContact CD1-CB 4.17Å; I916-M954 HydrophobicContact CD1-CE 4.26Å; I916-M954 HydrophobicContact CD1-SD 4.33Å; I916-M954 HydrophobicContact CG1-CB 3.97Å; L947-M954 VanDerWaalsContact CD1-C 3.49Å; L947-M954 VanDerWaalsContact CD1-O 3.31Å; L947-M954 WeakPolarHBondContact CD1-O 3.46Å; M954-M1136 HydrophobicContact CE-CB 3.98Å; M954-M1136 HydrophobicContact CE-CE 3.77Å; M954-M1136 WeakPolarHBondContact CE-O 3.49Å; M954-M1136 HydrophobicContact SD-CB 3.91Å; M954-M1136 HydrophobicContact SD-CE 3.71Å; M954-M1136 VanDerWaalsContact SD-O 3.37Å; M954-L1141 HydrophobicContact CB-CD1 4.49Å; M954-L1141 HydrophobicContact CG-CD1 4.22Å; M954-L1141 WeakPolarHBondContact O-CD1 3.41Å; M954-L1141 VanDerWaalsContact O-CD2 3.32Å; M954-L1141 WeakPolarHBondContact O-CD2 3.38Å; M954-G1193 VanDerWaalsContact CE-C 3.45Å; M954-G1193 WeakPolarHBondContact CE-O 3.47Å |
| 955 | W | 84.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -29.9 | -177.2 | -62.1 | -80.6 | 0 | 0 | 0 | 113.1 | I914 F915 A917 P931 A933 T944 Q945 L947 P953 V957 I983 L1031 | I914-W955 HydrophobicContact CG2-CB 4.44Å; I914-W955 HydrophobicContact CG2-CD2 4.25Å; I914-W955 HydrophobicContact CG2-CE3 3.68Å; I914-W955 HydrophobicContact CG2-CZ3 4.27Å; F915-W955 PolarHBondContact O-N 2.94Å; A917-W955 HydrophobicContact CB-CH2 4.25Å; A917-W955 HydrophobicContact CB-CZ3 3.94Å; P931-W955 HydrophobicContact CB-CZ2 4.14Å; A933-W955 HydrophobicContact CB-CH2 3.8Å; A933-W955 HydrophobicContact CB-CZ2 3.87Å; A933-W955 HydrophobicContact CB-CZ3 4.21Å; T944-W955 HydrophobicContact CG2-CB 4.27Å; T944-W955 HydrophobicContact CG2-CD2 4.2Å; T944-W955 HydrophobicContact CG2-CG 3.93Å; T944-W955 PolarHBondContact OG1-NE1 2.93Å; T944-W955 VanDerWaalsContact OG1-NE1 3.17Å; Q945-W955 PolarHBondContact NE2-O 2.83Å; Q945-W955 PolarHBondContact O-NE1 2.75Å; L947-W955 HydrophobicContact CD1-CB 4.49Å; L947-W955 VanDerWaalsContact CD1-CD1 3.48Å; L947-W955 HydrophobicContact CD1-CD2 4.33Å; L947-W955 HydrophobicContact CD1-CG 3.87Å; P953-W955 HydrophobicContact CB-CD2 4.26Å; P953-W955 HydrophobicContact CB-CE3 4.36Å; P953-W955 HydrophobicContact CB-CH2 3.9Å; P953-W955 HydrophobicContact CB-CZ2 3.73Å; P953-W955 HydrophobicContact CB-CZ3 4.19Å; P953-W955 HydrophobicContact CG-CE3 4.4Å; P953-W955 HydrophobicContact CG-CH2 3.32Å; P953-W955 HydrophobicContact CG-CZ2 3.59Å; P953-W955 HydrophobicContact CG-CZ3 3.75Å; W955-V957 VanDerWaalsContact C-N 3.33Å; W955-V957 HydrophobicContact CB-CG1 3.76Å; W955-V957 PolarHBondContact O-N 3.41Å; W955-I983 HydrophobicContact CH2-CG2 4.4Å; W955-L1031 HydrophobicContact CZ3-CD1 3.82Å |
| 956 | D | 83 | Confident | 83.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 43 | 55.6 | -179.3 | -169.1 | 6.9 | 0 | 0 | 0 | 113.2 | I914 F915 R1145 R1151 I1152 R1157 | I914-D956 PolarHBondContact O-N 2.99Å; F915-D956 HydrophobicContact CD2-CB 4.27Å; F915-D956 HydrophobicContact CE2-CB 4.46Å; F915-D956 PolarHBondContact O-N 3.43Å; D956-R1145 PolarHBondContact O-NH1 3.22Å; D956-R1145 VanDerWaalsContact O-NH1 3.16Å; D956-R1145 PolarHBondContact O-NH2 2.9Å; D956-R1151 IonicContact OD2-NE 2.69Å; D956-I1152 WeakPolarHBondContact OD1-CB 3.38Å; D956-I1152 PolarHBondContact OD1-N 3.11Å; D956-R1157 IonicContact OD1-CZ 2.69Å; D956-R1157 IonicContact OD1-NH1 3.42Å; D956-R1157 PolarHBondContact OD1-NH1 3.36Å; D956-R1157 IonicContact OD1-NH2 3.11Å; D956-R1157 IonicContact OD2-CZ 3.39Å; D956-R1157 VanDerWaalsContact OD2-CZ 3.26Å; D956-R1157 IonicContact OD2-NH1 3.14Å; D956-R1157 PolarHBondContact OD2-NH1 3.42Å; D956-R1157 IonicContact OD2-NH2 2.71Å; D956-R1157 PolarHBondContact OD2-NH2 2.82Å |
| 957 | V | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140.3 | -168.7 | 66 | 0 | 0 | 0 | 0 | 113.5 | I914 T944 W955 L959 D1149 Y1150 | I914-V957 HydrophobicContact CB-CG1 3.97Å; I914-V957 PolarHBondContact N-O 2.99Å; I914-V957 PolarHBondContact O-N 3Å; T944-V957 HydrophobicContact CG2-CG1 3.94Å; W955-V957 VanDerWaalsContact C-N 3.33Å; W955-V957 HydrophobicContact CB-CG1 3.76Å; W955-V957 PolarHBondContact O-N 3.41Å; V957-L959 HydrophobicContact CG1-CD2 4.46Å; V957-L959 HydrophobicContact CG1-CG 4.35Å; V957-L959 HydrophobicContact CG2-CD2 3.72Å; V957-L959 HydrophobicContact CG2-CG 4.23Å; V957-D1149 HydrophobicContact CG2-CB 3.62Å; V957-Y1150 CarbonylContact C-O 3.53Å; V957-Y1150 WeakPolarHBondContact CA-O 3.41Å |
| 958 | V | 90.8 | Very high | 84.4 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.6 | 166.6 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | C912 Y913 Y1150 I1152 | C912-V958 CarbonylContact O-C 3.59Å; C912-V958 VanDerWaalsContact O-CA 3.28Å; C912-V958 WeakPolarHBondContact O-CA 3.49Å; Y913-V958 HydrophobicContact CD1-CG1 4.22Å; Y913-V958 HydrophobicContact CD1-CG2 3.98Å; Y913-V958 HydrophobicContact CE1-CG1 4.12Å; Y913-V958 HydrophobicContact CE1-CG2 4.37Å; V958-Y1150 PolarHBondContact N-O 3.14Å; V958-I1152 HydrophobicContact CG2-CB 4.44Å; V958-I1152 HydrophobicContact CG2-CG1 3.96Å |
| 959 | L | 90.3 | Very high | 84.8 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.1 | 173.1 | -54.5 | 174.1 | 0 | 0 | 0 | 109.8 | R911 C912 I914 I935 L942 T944 V957 D1149 | R911-L959 WeakPolarHBondContact CA-O 3.39Å; C912-L959 HydrophobicContact CB-CB 4.16Å; C912-L959 PolarHBondContact N-O 3.47Å; C912-L959 PolarHBondContact O-N 2.9Å; I914-L959 HydrophobicContact CG1-CD1 4.47Å; I935-L959 HydrophobicContact CD1-CD1 3.66Å; L942-L959 HydrophobicContact CB-CD1 4.29Å; L942-L959 HydrophobicContact CD1-CB 4.09Å; T944-L959 HydrophobicContact CG2-CD1 4.17Å; V957-L959 HydrophobicContact CG1-CD2 4.46Å; V957-L959 HydrophobicContact CG1-CG 4.35Å; V957-L959 HydrophobicContact CG2-CD2 3.72Å; V957-L959 HydrophobicContact CG2-CG 4.23Å; L959-D1149 WeakPolarHBondContact CD2-OD1 3.44Å |
| 960 | Y | 88 | Confident | 85.6 | Confident | 85 Ų | 85 | 31.7 Ų | 31.7 | 33% | 0.333 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.2 | -174.6 | 165.1 | -113.9 | 0 | 0 | 0 | 112.7 | Q909 F910 R911 F1052 | Q909-Y960 HydrophobicContact CB-CE2 3.81Å; Q909-Y960 HydrophobicContact CG-CE2 4Å; F910-Y960 WeakPolarHBondContact O-CA 3.35Å; F910-Y960 WeakPolarHBondContact O-CD2 3.48Å; R911-Y960 HydrophobicContact CG-CD2 4.43Å; Y960-F1052 HydrophobicContact CD1-CE1 4.16Å; Y960-F1052 HydrophobicContact CD1-CE2 4.16Å; Y960-F1052 AromaticContact CD1-CZ 3.71Å; Y960-F1052 HydrophobicContact CD1-CZ 3.71Å; Y960-F1052 HydrophobicContact CD2-CE1 4.34Å; Y960-F1052 HydrophobicContact CD2-CE2 4.31Å; Y960-F1052 AromaticContact CD2-CZ 3.54Å; Y960-F1052 HydrophobicContact CD2-CZ 3.54Å; Y960-F1052 HydrophobicContact CE1-CE2 4.06Å; Y960-F1052 HydrophobicContact CE1-CZ 4.04Å; Y960-F1052 HydrophobicContact CE2-CE2 4.21Å; Y960-F1052 AromaticContact CE2-CZ 3.89Å; Y960-F1052 HydrophobicContact CE2-CZ 3.89Å; Y960-F1052 AromaticContact CG-CE1 3.88Å; Y960-F1052 HydrophobicContact CG-CE1 3.88Å; Y960-F1052 HydrophobicContact CG-CE2 4.29Å; Y960-F1052 AromaticContact CG-CZ 3.45Å; Y960-F1052 HydrophobicContact CG-CZ 3.45Å; Y960-F1052 VanDerWaalsContact CG-CZ 3.45Å |
| 961 | K | 88.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 31 Ų | 31 | 40% | 0.404 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.6 | 166.4 | -164.7 | 70.1 | 176.8 | -175 | 0 | 110.6 | F910 H940 L942 V963 | F910-K961 WeakPolarHBondContact CA-O 3.17Å; F910-K961 WeakPolarHBondContact CB-O 3.38Å; F910-K961 PolarHBondContact N-O 2.89Å; F910-K961 PolarHBondContact O-N 3.43Å; H940-K961 HydrophobicContact CB-CG 4.39Å; L942-K961 HydrophobicContact CD1-CB 4.12Å; L942-K961 HydrophobicContact CD2-CB 4.27Å; L942-K961 HydrophobicContact CG-CB 4.45Å; K961-V963 HydrophobicContact CB-CG1 4.38Å; K961-V963 HydrophobicContact CG-CG1 4.24Å |
| 962 | Q | 89.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 30.4 Ų | 30.4 | 34% | 0.341 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.9 | 163.1 | -176 | -180 | 72.2 | 0 | 0 | 109.3 | R907 D1040 | R907-Q962 VanDerWaalsContact NH2-CD 3.35Å; Q962-D1040 WeakPolarHBondContact CG-OD2 3.39Å; Q962-D1040 PolarHBondContact NE2-OD2 3.13Å |
| 963 | V | 89.7 | Confident | 87.4 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.4 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | R907 F908 F910 I937 K961 F965 L1037 | R907-V963 WeakPolarHBondContact CA-O 3.49Å; F908-V963 HydrophobicContact CB-CG2 4.08Å; F908-V963 PolarHBondContact N-O 3.26Å; F908-V963 PolarHBondContact O-N 2.95Å; F910-V963 HydrophobicContact CB-CG1 4.06Å; F910-V963 HydrophobicContact CB-CG2 4.14Å; I937-V963 HydrophobicContact CG2-CG1 4.22Å; K961-V963 HydrophobicContact CB-CG1 4.38Å; K961-V963 HydrophobicContact CG-CG1 4.24Å; V963-F965 HydrophobicContact CB-CZ 4.5Å; V963-F965 HydrophobicContact CG2-CE2 3.81Å; V963-F965 HydrophobicContact CG2-CZ 3.73Å; V963-L1037 HydrophobicContact CG2-CD2 3.55Å |
| 964 | T | 88.9 | Confident | 87.4 | Confident | 62 Ų | 62 | 39 Ų | 39 | 38% | 0.38 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.8 | -178.6 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | S906 R907 | S906-T964 CarbonylContact O-C 3.58Å; S906-T964 WeakPolarHBondContact O-CA 3.07Å; R907-T964 HydrophobicContact CG-CG2 4.45Å |
| 965 | F | 88.3 | Confident | 87.4 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.7 | 177.6 | -54.9 | -69.4 | 0 | 0 | 0 | 111.5 | T905 S906 F908 I937 V963 Q967 V972 Q977 L1037 | T905-F965 WeakPolarHBondContact CA-O 3.46Å; S906-F965 PolarHBondContact N-O 2.96Å; S906-F965 PolarHBondContact O-N 3.45Å; F908-F965 HydrophobicContact CB-CE2 4.38Å; F908-F965 AromaticContact CD2-CD2 3.84Å; F908-F965 HydrophobicContact CD2-CD2 3.84Å; F908-F965 HydrophobicContact CD2-CE2 4.02Å; F908-F965 HydrophobicContact CE2-CD2 4.33Å; F908-F965 HydrophobicContact CG-CE2 4.37Å; I937-F965 HydrophobicContact CD1-CZ 4.35Å; V963-F965 HydrophobicContact CB-CZ 4.5Å; V963-F965 HydrophobicContact CG2-CE2 3.81Å; V963-F965 HydrophobicContact CG2-CZ 3.73Å; F965-Q967 HydrophobicContact CB-CG 3.94Å; F965-Q967 PolarHBondContact O-N 2.89Å; F965-V972 HydrophobicContact CB-CG2 4.04Å; F965-V972 HydrophobicContact CD2-CG1 3.8Å; F965-V972 HydrophobicContact CD2-CG2 3.83Å; F965-V972 HydrophobicContact CE2-CG1 3.92Å; F965-V972 HydrophobicContact CG-CG2 4.21Å; F965-Q977 VanDerWaalsContact CE1-CD 3.49Å; F965-Q977 HydrophobicContact CE1-CG 3.85Å; F965-Q977 HydrophobicContact CE2-CG 4.31Å; F965-Q977 HydrophobicContact CZ-CG 3.67Å; F965-L1037 HydrophobicContact CE2-CD1 3.92Å; F965-L1037 HydrophobicContact CE2-CD2 4.11Å; F965-L1037 HydrophobicContact CZ-CD1 3.97Å; F965-L1037 HydrophobicContact CZ-CD2 4.22Å |
| 966 | Y | 87 | Confident | 86.9 | Confident | 89 Ų | 89 | 43.6 Ų | 43.6 | 35% | 0.349 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -81.5 | 65.8 | 172.7 | -66.8 | -81.8 | 0 | 0 | 0 | 110.5 | G658 N659 Y902 T905 | G658-Y966 WeakPolarHBondContact O-CD2 3.45Å; N659-Y966 HydrophobicContact CB-CD1 3.56Å; N659-Y966 HydrophobicContact CB-CE1 3.69Å; Y902-Y966 WeakPolarHBondContact CD1-O 3.24Å; Y902-Y966 VanDerWaalsContact CE1-O 3.31Å; Y902-Y966 WeakPolarHBondContact CE1-O 3.5Å; T905-Y966 HydrophobicContact CG2-CD1 3.54Å; T905-Y966 HydrophobicContact CG2-CE1 3.82Å; T905-Y966 HydrophobicContact CG2-CG 4.38Å |
| 967 | Q | 87.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -168.6 | 162.8 | 174.4 | 57.4 | -175.7 | -8.6 | 0 | 0 | 108 | P883 G884 Y902 E904 S906 F965 V972 | P883-Q967 HydrophobicContact CB-CB 4.27Å; G884-Q967 CarbonylContact O-C 3.45Å; G884-Q967 VanDerWaalsContact O-CA 3.32Å; G884-Q967 WeakPolarHBondContact O-CA 3.32Å; G884-Q967 WeakPolarHBondContact O-CB 3.44Å; Y902-Q967 HydrophobicContact CE1-CB 4.17Å; E904-Q967 PolarHBondContact O-N 2.81Å; S906-Q967 WeakPolarHBondContact CB-O 3.24Å; S906-Q967 PolarHBondContact N-O 2.91Å; S906-Q967 PolarHBondContact OG-O 2.87Å; F965-Q967 HydrophobicContact CB-CG 3.94Å; F965-Q967 PolarHBondContact O-N 2.89Å; Q967-V972 HydrophobicContact CG-CG2 3.69Å |
| 968 | N | 89.5 | Confident | 86.1 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | trans | -75.5 | 156.7 | 177.1 | 79.2 | 13.7 | 0 | 0 | 0 | 112.5 | G884 E904 Q970 S971 V972 | G884-N968 PolarHBondContact O-N 3.28Å; E904-N968 HydrophobicContact CB-CB 4.36Å; E904-N968 WeakPolarHBondContact OE2-CB 3.49Å; E904-N968 PolarHBondContact OE2-ND2 3.2Å; N968-Q970 VanDerWaalsContact C-N 3.31Å; N968-Q970 PolarHBondContact O-N 2.87Å; N968-S971 WeakPolarHBondContact O-CA 3.47Å; N968-S971 WeakPolarHBondContact O-CB 3.32Å; N968-S971 PolarHBondContact O-N 3.46Å; N968-S971 WeakPolarHBondContact OD1-CB 3.39Å; N968-S971 PolarHBondContact OD1-N 2.75Å; N968-S971 VanDerWaalsContact OD1-N 3.09Å; N968-S971 PolarHBondContact OD1-OG 3.24Å; N968-V972 PolarHBondContact O-N 3.29Å; N968-V972 VanDerWaalsContact O-N 3.16Å | ||
| 969 | A | 87.4 | Confident | 85.9 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -39.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113 | F908 S971 V972 K973 L1006 | F908-A969 HydrophobicContact CE2-CB 4.42Å; F908-A969 HydrophobicContact CZ-CB 4.15Å; A969-S971 VanDerWaalsContact C-N 3.27Å; A969-S971 PolarHBondContact O-N 2.82Å; A969-V972 WeakPolarHBondContact O-CB 3.48Å; A969-V972 PolarHBondContact O-N 2.84Å; A969-V972 VanDerWaalsContact O-N 3.13Å; A969-K973 PolarHBondContact O-N 2.76Å; A969-L1006 HydrophobicContact CB-CD2 4.08Å |
| 970 | Q | 89 | Confident | 85.7 | Confident | 102 Ų | 102 | 44.2 Ų | 44.2 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.6 | -37.8 | 173.8 | -170.4 | 66.5 | 8.9 | 0 | 0 | 112.2 | N968 K973 Q974 | N968-Q970 VanDerWaalsContact C-N 3.31Å; N968-Q970 PolarHBondContact O-N 2.87Å; Q970-K973 PolarHBondContact O-N 3.43Å; Q970-Q974 WeakPolarHBondContact O-CG 3.36Å; Q970-Q974 PolarHBondContact O-N 3.15Å |
| 971 | S | 87.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.8 | -27.5 | 177.9 | -58 | 0 | 0 | 0 | 0 | 112.9 | G884 N968 A969 N975 | G884-S971 WeakPolarHBondContact CA-OG 3.04Å; G884-S971 PolarHBondContact N-OG 2.88Å; N968-S971 WeakPolarHBondContact O-CA 3.47Å; N968-S971 WeakPolarHBondContact O-CB 3.32Å; N968-S971 PolarHBondContact O-N 3.46Å; N968-S971 WeakPolarHBondContact OD1-CB 3.39Å; N968-S971 PolarHBondContact OD1-N 2.75Å; N968-S971 VanDerWaalsContact OD1-N 3.09Å; N968-S971 PolarHBondContact OD1-OG 3.24Å; A969-S971 VanDerWaalsContact C-N 3.27Å; A969-S971 PolarHBondContact O-N 2.82Å; S971-N975 WeakPolarHBondContact O-CB 3.44Å; S971-N975 PolarHBondContact O-N 3.08Å; S971-N975 PolarHBondContact O-ND2 2.86Å |
| 972 | V | 85.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 169.3 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | S906 F908 F965 Q967 N968 A969 N975 Q977 V1004 L1037 | S906-V972 WeakPolarHBondContact OG-CG2 3.43Å; F908-V972 HydrophobicContact CD2-CG1 4.49Å; F908-V972 HydrophobicContact CE2-CB 3.99Å; F908-V972 HydrophobicContact CE2-CG1 4.02Å; F908-V972 HydrophobicContact CE2-CG2 3.71Å; F908-V972 HydrophobicContact CZ-CB 4.04Å; F908-V972 HydrophobicContact CZ-CG1 4.11Å; F908-V972 HydrophobicContact CZ-CG2 4.24Å; F965-V972 HydrophobicContact CB-CG2 4.04Å; F965-V972 HydrophobicContact CD2-CG1 3.8Å; F965-V972 HydrophobicContact CD2-CG2 3.83Å; F965-V972 HydrophobicContact CE2-CG1 3.92Å; F965-V972 HydrophobicContact CG-CG2 4.21Å; Q967-V972 HydrophobicContact CG-CG2 3.69Å; N968-V972 PolarHBondContact O-N 3.29Å; N968-V972 VanDerWaalsContact O-N 3.16Å; A969-V972 WeakPolarHBondContact O-CB 3.48Å; A969-V972 PolarHBondContact O-N 2.84Å; A969-V972 VanDerWaalsContact O-N 3.13Å; V972-N975 CarbonylContact O-C 3.6Å; V972-N975 VanDerWaalsContact O-C 3.29Å; V972-Q977 HydrophobicContact CG1-CG 4.48Å; V972-V1004 HydrophobicContact CG1-CG1 4.47Å; V972-L1037 HydrophobicContact CG1-CD1 4.42Å |
| 973 | K | 87.1 | Confident | 85.8 | Confident | 68 Ų | 68 | 32.3 Ų | 32.3 | 30% | 0.296 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70 | -33.6 | 178.6 | -175.1 | 158.7 | -172.6 | 170.2 | 0 | 113.1 | A969 Q970 L976 V1004 L1006 E1009 | A969-K973 PolarHBondContact O-N 2.76Å; Q970-K973 PolarHBondContact O-N 3.43Å; K973-L976 WeakPolarHBondContact O-CD2 3.15Å; K973-V1004 HydrophobicContact CB-CB 4.17Å; K973-V1004 HydrophobicContact CB-CG1 3.86Å; K973-V1004 HydrophobicContact CD-CB 4.42Å; K973-V1004 HydrophobicContact CD-CG1 4.47Å; K973-V1004 WeakPolarHBondContact CD-O 3.45Å; K973-V1004 WeakPolarHBondContact CE-O 3.3Å; K973-V1004 HydrophobicContact CG-CB 4.11Å; K973-V1004 HydrophobicContact CG-CG1 4.27Å; K973-V1004 PolarHBondContact NZ-O 2.82Å; K973-V1004 VanDerWaalsContact NZ-O 3.08Å; K973-L1006 HydrophobicContact CB-CD1 4.04Å; K973-L1006 HydrophobicContact CB-CD2 4.31Å; K973-L1006 HydrophobicContact CB-CG 4.35Å; K973-L1006 HydrophobicContact CD-CD1 3.82Å; K973-L1006 HydrophobicContact CD-CG 3.85Å; K973-E1009 IonicContact NZ-OE1 2.8Å; K973-E1009 PolarHBondContact NZ-OE1 2.81Å; K973-E1009 IonicContact NZ-OE2 2.77Å; K973-E1009 PolarHBondContact NZ-OE2 3.25Å |
| 974 | Q | 83.8 | Confident | 85.8 | Confident | 134 Ų | 134 | 32.8 Ų | 32.8 | 63% | 0.626 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -76 | -40.2 | 175.3 | -72 | 175 | -17.7 | 0 | 0 | 112.7 | Q970 | Q970-Q974 WeakPolarHBondContact O-CG 3.36Å; Q970-Q974 PolarHBondContact O-N 3.15Å |
| 975 | N | 80.2 | Confident | 85.8 | Confident | 29 Ų | 29 | 30 Ų | 30 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -104.2 | 74.2 | 177.7 | -58.9 | -90.6 | 0 | 0 | 0 | 109.1 | R864 S971 V972 | R864-N975 PolarHBondContact NH2-O 3.02Å; S971-N975 WeakPolarHBondContact O-CB 3.44Å; S971-N975 PolarHBondContact O-N 3.08Å; S971-N975 PolarHBondContact O-ND2 2.86Å; V972-N975 CarbonylContact O-C 3.6Å; V972-N975 VanDerWaalsContact O-C 3.29Å |
| 976 | L | 74.4 | Confident | 85.5 | Confident | 78 Ų | 78 | 31.7 Ų | 31.7 | 41% | 0.408 | 15% | 0.153 | S | C | . | . | trans | -49.5 | 140.1 | -177.8 | -64.5 | 178.9 | 0 | 0 | 0 | 112 | R864 K973 V1004 | R864-L976 PolarHBondContact NH2-O 3.12Å; K973-L976 WeakPolarHBondContact O-CD2 3.15Å; L976-V1004 HydrophobicContact CD2-CB 4.5Å; L976-V1004 HydrophobicContact CD2-CG2 3.65Å | ||
| 977 | Q | 76.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | trans | -79.9 | 138.1 | 177.5 | -54.5 | -66.3 | -3.8 | 0 | 0 | 109.8 | I937 F965 V972 V1002 L1037 | I937-Q977 HydrophobicContact CD1-CB 4.22Å; F965-Q977 VanDerWaalsContact CE1-CD 3.49Å; F965-Q977 HydrophobicContact CE1-CG 3.85Å; F965-Q977 HydrophobicContact CE2-CG 4.31Å; F965-Q977 HydrophobicContact CZ-CG 3.67Å; V972-Q977 HydrophobicContact CG1-CG 4.48Å; Q977-V1002 HydrophobicContact CB-CG1 4.02Å; Q977-V1002 WeakPolarHBondContact O-CG1 3.28Å; Q977-L1037 HydrophobicContact CB-CD1 4.18Å; Q977-L1037 HydrophobicContact CG-CD1 3.74Å | ||
| 978 | E | 78.1 | Confident | 84 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 112.7 | 172.9 | -179.4 | 159.8 | -124.6 | 0 | 0 | 108.9 | R199 T841 Y843 F999 | R199-E978 IonicContact CZ-OE1 3.2Å; R199-E978 IonicContact NH1-OE1 3.99Å; R199-E978 PolarHBondContact NH1-OE1 2.61Å; R199-E978 IonicContact NH2-OE1 3.1Å; T841-E978 WeakPolarHBondContact CB-OE2 3.22Å; T841-E978 VanDerWaalsContact CG2-OE2 3.25Å; T841-E978 WeakPolarHBondContact CG2-OE2 3.4Å; T841-E978 PolarHBondContact OG1-OE2 2.91Å; Y843-E978 VanDerWaalsContact OH-CD 3.29Å; Y843-E978 PolarHBondContact OH-OE2 2.98Å; E978-F999 HydrophobicContact CG-CB 4.47Å; E978-F999 HydrophobicContact CG-CD1 4.37Å |
| 979 | V | 85.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.2 | 172.9 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | F910 I935 I937 C1000 V1002 F1035 | F910-V979 HydrophobicContact CE2-CG2 3.65Å; F910-V979 HydrophobicContact CZ-CG1 3.96Å; F910-V979 HydrophobicContact CZ-CG2 3.68Å; I935-V979 HydrophobicContact CG2-CG1 3.57Å; I937-V979 HydrophobicContact CD1-CG2 4.22Å; V979-C1000 HydrophobicContact CB-CB 4.15Å; V979-C1000 HydrophobicContact CG1-CB 4.48Å; V979-C1000 PolarHBondContact N-O 3Å; V979-C1000 PolarHBondContact O-N 2.97Å; V979-V1002 HydrophobicContact CG2-CB 4.05Å; V979-V1002 HydrophobicContact CG2-CG2 4.35Å; V979-F1035 HydrophobicContact CB-CG 4.46Å; V979-F1035 HydrophobicContact CG1-CD1 3.8Å; V979-F1035 HydrophobicContact CG1-CE1 3.85Å; V979-F1035 HydrophobicContact CG1-CG 4.16Å; V979-F1035 HydrophobicContact CG1-CZ 4.27Å; V979-F1035 HydrophobicContact CG2-CB 4.37Å; V979-F1035 HydrophobicContact CG2-CG 4.37Å |
| 980 | I | 85.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.9 | 174 | -62.4 | 179.2 | 0 | 0 | 0 | 108.2 | Y843 I935 L936 E982 R997 F999 | Y843-I980 HydrophobicContact CE1-CD1 3.82Å; I935-I980 CarbonylContact C-O 3.35Å; I935-I980 WeakPolarHBondContact CA-O 3.33Å; L936-I980 HydrophobicContact CB-CB 4.19Å; L936-I980 HydrophobicContact CD1-CB 4.32Å; L936-I980 HydrophobicContact CD1-CG2 4.1Å; L936-I980 HydrophobicContact CG-CB 4.46Å; L936-I980 PolarHBondContact N-O 3.4Å; L936-I980 PolarHBondContact O-N 2.97Å; L936-I980 VanDerWaalsContact O-N 3.15Å; I980-E982 HydrophobicContact CG2-CG 4.1Å; I980-R997 VanDerWaalsContact CG2-CD 3.46Å; I980-R997 HydrophobicContact CG2-CG 3.51Å; I980-F999 HydrophobicContact CD1-CD1 4.22Å; I980-F999 HydrophobicContact CD1-CE1 3.94Å; I980-F999 HydrophobicContact CG1-CD1 3.83Å; I980-F999 HydrophobicContact CG1-CE1 4.02Å |
| 981 | V | 90 | Very high | 80.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124 | 163.8 | -166.3 | 0 | 0 | 0 | 0 | 109 | A933 R934 I935 R997 C998 L1031 F1035 | A933-V981 HydrophobicContact CB-CG1 4.08Å; R934-V981 CarbonylContact O-C 3.57Å; R934-V981 WeakPolarHBondContact O-CA 3.31Å; I935-V981 HydrophobicContact CG1-CG1 4.23Å; I935-V981 HydrophobicContact CG1-CG2 4.14Å; I935-V981 HydrophobicContact CG2-CG2 4.39Å; V981-R997 CarbonylContact O-C 3.58Å; V981-R997 VanDerWaalsContact O-CA 3.27Å; V981-R997 WeakPolarHBondContact O-CA 3.4Å; V981-R997 WeakPolarHBondContact O-CG 3.5Å; V981-C998 PolarHBondContact N-O 3.44Å; V981-C998 PolarHBondContact O-N 2.95Å; V981-L1031 HydrophobicContact CB-CD2 3.84Å; V981-L1031 HydrophobicContact CG1-CD2 3.67Å; V981-L1031 HydrophobicContact CG2-CD2 3.98Å; V981-F1035 HydrophobicContact CG2-CE1 4.11Å; V981-F1035 HydrophobicContact CG2-CZ 3.59Å |
| 982 | E | 89 | Confident | 79.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 147.8 | 168 | -56.2 | -163.7 | 109.3 | 0 | 0 | 109.2 | Y652 A933 R934 L936 I980 F984 F994 G996 R997 | Y652-E982 VanDerWaalsContact CE2-OE2 3.31Å; Y652-E982 WeakPolarHBondContact CE2-OE2 3.36Å; Y652-E982 VanDerWaalsContact OH-CD 3.31Å; Y652-E982 PolarHBondContact OH-OE1 3.33Å; Y652-E982 PolarHBondContact OH-OE2 3.14Å; A933-E982 CarbonylContact C-O 3.54Å; A933-E982 WeakPolarHBondContact CA-O 3.39Å; R934-E982 HydrophobicContact CB-CB 4.45Å; R934-E982 PolarHBondContact N-O 3.49Å; R934-E982 PolarHBondContact O-N 2.98Å; L936-E982 HydrophobicContact CD1-CG 4.45Å; I980-E982 HydrophobicContact CG2-CG 4.1Å; E982-F984 HydrophobicContact CB-CD2 4.08Å; E982-F984 HydrophobicContact CB-CE2 3.43Å; E982-F984 VanDerWaalsContact CB-CE2 3.43Å; E982-F984 HydrophobicContact CB-CZ 4.1Å; E982-F984 HydrophobicContact CG-CE2 4.28Å; E982-F984 WeakPolarHBondContact OE2-CZ 3.32Å; E982-F994 HydrophobicContact CB-CE2 4.3Å; E982-F994 HydrophobicContact CG-CE2 4.31Å; E982-F994 WeakPolarHBondContact OE1-CE2 3.42Å; E982-G996 WeakPolarHBondContact CA-O 3.49Å; E982-R997 VanDerWaalsContact CD-NH2 3.33Å; E982-R997 HydrophobicContact CG-CB 4.33Å; E982-R997 HydrophobicContact CG-CG 4.04Å; E982-R997 IonicContact OE1-CZ 2.94Å; E982-R997 IonicContact OE1-NE 3.2Å; E982-R997 PolarHBondContact OE1-NE 3.03Å; E982-R997 IonicContact OE1-NH2 3.28Å; E982-R997 PolarHBondContact OE1-NH2 3.07Å; E982-R997 IonicContact OE2-NH2 3.94Å |
| 983 | I | 91.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.1 | 172.3 | -46.2 | -177 | 0 | 0 | 0 | 106.9 | A917 L920 P931 M932 W955 M995 G996 V1021 | A917-I983 HydrophobicContact CB-CD1 4.4Å; L920-I983 HydrophobicContact CD1-CG2 4.2Å; L920-I983 HydrophobicContact CD2-CD1 3.77Å; P931-I983 HydrophobicContact CB-CG2 4.09Å; M932-I983 WeakPolarHBondContact O-CA 3.4Å; W955-I983 HydrophobicContact CH2-CG2 4.4Å; I983-M995 HydrophobicContact CB-SD 4.4Å; I983-M995 HydrophobicContact CG2-SD 3.62Å; I983-M995 WeakPolarHBondContact O-CA 3.47Å; I983-M995 VanDerWaalsContact O-CB 3.29Å; I983-M995 WeakPolarHBondContact O-CB 3.29Å; I983-M995 PolarHBondContact O-N 2.92Å; I983-G996 PolarHBondContact N-O 2.89Å; I983-G996 PolarHBondContact O-N 2.83Å; I983-V1021 HydrophobicContact CD1-CG1 4.32Å; I983-V1021 HydrophobicContact CD1-CG2 3.93Å |
| 984 | F | 88.4 | Confident | 79.2 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 149.9 | 178.6 | -65.5 | -91 | 0 | 0 | 0 | 109.8 | P931 M932 R934 E982 L992 E993 F994 M995 | P931-F984 CarbonylContact C-O 3.46Å; P931-F984 WeakPolarHBondContact CA-O 3.48Å; M932-F984 HydrophobicContact CE-CB 4.12Å; M932-F984 HydrophobicContact CE-CD2 4.05Å; M932-F984 HydrophobicContact CE-CG 4.42Å; M932-F984 PolarHBondContact N-O 2.91Å; M932-F984 PolarHBondContact O-N 2.82Å; R934-F984 HydrophobicContact CB-CD2 4.26Å; R934-F984 HydrophobicContact CB-CE2 4.15Å; E982-F984 HydrophobicContact CB-CD2 4.08Å; E982-F984 HydrophobicContact CB-CE2 3.43Å; E982-F984 VanDerWaalsContact CB-CE2 3.43Å; E982-F984 HydrophobicContact CB-CZ 4.1Å; E982-F984 HydrophobicContact CG-CE2 4.28Å; E982-F984 WeakPolarHBondContact OE2-CZ 3.32Å; F984-L992 HydrophobicContact CB-CB 4.28Å; F984-L992 HydrophobicContact CB-CD2 3.71Å; F984-L992 HydrophobicContact CD1-CB 3.83Å; F984-L992 HydrophobicContact CD1-CD2 4.32Å; F984-L992 HydrophobicContact CG-CB 4.3Å; F984-L992 HydrophobicContact CG-CD2 3.97Å; F984-E993 CarbonylContact C-O 3.45Å; F984-E993 WeakPolarHBondContact CA-O 3.33Å; F984-F994 HydrophobicContact CD1-CB 4.03Å; F984-F994 HydrophobicContact CD1-CD2 4.39Å; F984-F994 HydrophobicContact CE1-CB 3.82Å; F984-F994 AromaticContact CE1-CD2 3.84Å; F984-F994 HydrophobicContact CE1-CD2 3.84Å; F984-F994 HydrophobicContact CE1-CG 4.34Å; F984-F994 HydrophobicContact CZ-CD2 4Å; F984-M995 VanDerWaalsContact C-SD 3.5Å |
| 985 | D | 88.6 | Confident | 79 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 143.1 | 170.6 | 172 | 62.5 | 0 | 0 | 0 | 109.6 | S923 S929 D930 E993 M995 | S923-D985 WeakPolarHBondContact CB-OD2 3.22Å; S923-D985 WeakPolarHBondContact OG-CB 3.43Å; S923-D985 PolarHBondContact OG-OD2 2.93Å; S929-D985 WeakPolarHBondContact CA-OD1 3.14Å; S929-D985 WeakPolarHBondContact CB-OD1 3.36Å; D930-D985 PolarHBondContact N-OD1 3.34Å; D985-E993 HydrophobicContact CB-CB 4.22Å; D985-E993 PolarHBondContact N-O 3.26Å; D985-E993 PolarHBondContact O-N 3.25Å; D985-E993 VanDerWaalsContact O-N 3.09Å; D985-M995 HydrophobicContact CB-CE 4.49Å; D985-M995 HydrophobicContact CB-CG 3.74Å; D985-M995 HydrophobicContact CB-SD 3.94Å |
| 986 | I | 83.5 | Confident | 79.2 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | trans | -135 | 74.3 | -170.7 | -47.9 | -169.5 | 0 | 0 | 0 | 111.9 | D930 M932 V946 L992 | D930-I986 PolarHBondContact O-N 2.82Å; M932-I986 HydrophobicContact CB-CD1 3.61Å; M932-I986 HydrophobicContact CB-CG1 4.24Å; M932-I986 HydrophobicContact CE-CD1 3.88Å; M932-I986 HydrophobicContact CG-CD1 4.04Å; V946-I986 HydrophobicContact CG1-CB 4.34Å; V946-I986 HydrophobicContact CG2-CD1 3.95Å; I986-L992 HydrophobicContact CD1-CD2 3.67Å; I986-L992 HydrophobicContact CG1-CD2 3.85Å; I986-L992 HydrophobicContact CG1-CG 4.49Å | ||
| 987 | D | 79.4 | Confident | 79.7 | Confident | 65 Ų | 65 | 37.7 Ų | 37.7 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | trans | -48.7 | 134.4 | 159.7 | -105.7 | -30.1 | 0 | 0 | 0 | 111.6 | G989 N990 | D987-G989 PolarHBondContact O-N 2.82Å; D987-N990 HydrophobicContact CB-CB 3.66Å; D987-N990 PolarHBondContact O-N 2.73Å; D987-N990 PolarHBondContact OD2-ND2 2.83Å | ||
| 988 | P | 64.1 | Low | 80.1 | Confident | 117 Ų | 117 | 37.4 Ų | 37.4 | 76% | 0.76 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 106.1 | 171.8 | -26.4 | 35.9 | 0 | 0 | 0 | 113.3 | ||
| 989 | G | 62.1 | Low | 80.2 | Confident | 84 Ų | 84 | 38.3 Ų | 38.3 | 87% | 0.866 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | 0.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D987 | D987-G989 PolarHBondContact O-N 2.82Š|
| 990 | N | 59.6 | Low | 80.2 | Confident | 113 Ų | 113 | 38.3 Ų | 38.3 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -96.2 | 169.2 | 176.7 | -85 | -27.6 | 0 | 0 | 0 | 113.5 | D987 | D987-N990 HydrophobicContact CB-CB 3.66Å; D987-N990 PolarHBondContact O-N 2.73Å; D987-N990 PolarHBondContact OD2-ND2 2.83Å |
| 991 | D | 65.5 | Low | 79.9 | Confident | 160 Ų | 160 | 40.7 Ų | 40.7 | 86% | 0.856 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -68.5 | 138.7 | 162.8 | -103.8 | -19.1 | 0 | 0 | 0 | 109.9 | E993 | D991-E993 PolarHBondContact O-N 3.29Š|
| 992 | L | 73.7 | Confident | 79.8 | Confident | 61 Ų | 61 | 41 Ų | 41 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -51.6 | 118.7 | 177.4 | -68.8 | 116.4 | 0 | 0 | 0 | 113.1 | M932 F984 I986 F994 | M932-L992 HydrophobicContact CE-CD2 3.53Å; F984-L992 HydrophobicContact CB-CB 4.28Å; F984-L992 HydrophobicContact CB-CD2 3.71Å; F984-L992 HydrophobicContact CD1-CB 3.83Å; F984-L992 HydrophobicContact CD1-CD2 4.32Å; F984-L992 HydrophobicContact CG-CB 4.3Å; F984-L992 HydrophobicContact CG-CD2 3.97Å; I986-L992 HydrophobicContact CD1-CD2 3.67Å; I986-L992 HydrophobicContact CG1-CD2 3.85Å; I986-L992 HydrophobicContact CG1-CG 4.49Å; L992-F994 PolarHBondContact O-N 3.26Å |
| 993 | E | 80.9 | Confident | 79.8 | Confident | 80 Ų | 80 | 44 Ų | 44 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 115.4 | 172.1 | 173.3 | 147.8 | 169.4 | 0 | 0 | 110.8 | F984 D985 D991 M995 R1023 | F984-E993 CarbonylContact C-O 3.45Å; F984-E993 WeakPolarHBondContact CA-O 3.33Å; D985-E993 HydrophobicContact CB-CB 4.22Å; D985-E993 PolarHBondContact N-O 3.26Å; D985-E993 PolarHBondContact O-N 3.25Å; D985-E993 VanDerWaalsContact O-N 3.09Å; D991-E993 PolarHBondContact O-N 3.29Å; E993-M995 PolarHBondContact O-N 3.43Å; E993-M995 VanDerWaalsContact O-N 3.1Å; E993-R1023 VanDerWaalsContact CD-NH2 3.34Å; E993-R1023 IonicContact OE1-CZ 3.19Å; E993-R1023 IonicContact OE1-NH1 3.76Å; E993-R1023 PolarHBondContact OE1-NH1 2.9Å; E993-R1023 IonicContact OE1-NH2 3.64Å; E993-R1023 PolarHBondContact OE1-NH2 2.93Å |
| 994 | F | 82 | Confident | 79.7 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 107.5 | 174.5 | 174.5 | -100.9 | 0 | 0 | 0 | 111.5 | W857 E982 F984 L992 G996 R997 R1023 | W857-F994 HydrophobicContact CB-CD1 4.04Å; W857-F994 HydrophobicContact CB-CE1 3.57Å; W857-F994 HydrophobicContact CB-CZ 4.37Å; W857-F994 AromaticContact CD1-CD1 3.92Å; W857-F994 HydrophobicContact CD2-CB 4.31Å; W857-F994 AromaticContact CD2-CD1 3.36Å; W857-F994 HydrophobicContact CD2-CD1 3.36Å; W857-F994 AromaticContact CD2-CE1 3.81Å; W857-F994 HydrophobicContact CD2-CE1 3.81Å; W857-F994 AromaticContact CD2-CG 3.93Å; W857-F994 HydrophobicContact CD2-CG 3.93Å; W857-F994 AromaticContact CE2-CD1 3.74Å; W857-F994 HydrophobicContact CE3-CB 4.24Å; W857-F994 AromaticContact CE3-CD1 3.66Å; W857-F994 HydrophobicContact CE3-CD1 3.66Å; W857-F994 HydrophobicContact CE3-CD2 4.34Å; W857-F994 HydrophobicContact CE3-CE1 4.04Å; W857-F994 AromaticContact CE3-CG 3.82Å; W857-F994 HydrophobicContact CE3-CG 3.82Å; W857-F994 AromaticContact CG-CD1 3.53Å; W857-F994 HydrophobicContact CG-CD1 3.53Å; W857-F994 AromaticContact CG-CE1 3.61Å; W857-F994 HydrophobicContact CG-CE1 3.61Å; W857-F994 HydrophobicContact CH2-CB 3.72Å; W857-F994 HydrophobicContact CH2-CG 4.22Å; W857-F994 HydrophobicContact CZ2-CB 3.79Å; W857-F994 HydrophobicContact CZ2-CD1 4.33Å; W857-F994 HydrophobicContact CZ2-CG 4.33Å; W857-F994 HydrophobicContact CZ3-CB 3.96Å; W857-F994 HydrophobicContact CZ3-CD1 4.25Å; W857-F994 HydrophobicContact CZ3-CD2 4.44Å; W857-F994 AromaticContact CZ3-CG 3.96Å; W857-F994 HydrophobicContact CZ3-CG 3.96Å; E982-F994 HydrophobicContact CB-CE2 4.3Å; E982-F994 HydrophobicContact CG-CE2 4.31Å; E982-F994 WeakPolarHBondContact OE1-CE2 3.42Å; F984-F994 HydrophobicContact CD1-CB 4.03Å; F984-F994 HydrophobicContact CD1-CD2 4.39Å; F984-F994 HydrophobicContact CE1-CB 3.82Å; F984-F994 AromaticContact CE1-CD2 3.84Å; F984-F994 HydrophobicContact CE1-CD2 3.84Å; F984-F994 HydrophobicContact CE1-CG 4.34Å; F984-F994 HydrophobicContact CZ-CD2 4Å; L992-F994 PolarHBondContact O-N 3.26Å; F994-G996 VanDerWaalsContact CE2-C 3.48Å; F994-G996 VanDerWaalsContact CE2-O 3.32Å; F994-G996 WeakPolarHBondContact CE2-O 3.33Å; F994-G996 VanDerWaalsContact CZ-CA 3.5Å; F994-R997 HydrophobicContact CE2-CB 3.92Å; F994-R997 HydrophobicContact CZ-CB 3.7Å; F994-R1023 HydrophobicContact CD1-CG 4.31Å; F994-R1023 HydrophobicContact CE1-CG 4.22Å; F994-R1023 PolarHBondContact O-NE 2.91Å; F994-R1023 PolarHBondContact O-NH2 3.19Å |
| 995 | M | 80.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -41.7 | 178.3 | -48.3 | 168.5 | 84.6 | 0 | 0 | 111.1 | L920 I921 S929 P931 I983 F984 D985 E993 R1023 | L920-M995 HydrophobicContact CB-CE 4Å; L920-M995 HydrophobicContact CD1-CE 4.02Å; I921-M995 WeakPolarHBondContact O-CE 3.32Å; S929-M995 WeakPolarHBondContact OG-CE 3.21Å; P931-M995 HydrophobicContact CB-CE 4.27Å; P931-M995 HydrophobicContact CB-SD 3.96Å; I983-M995 HydrophobicContact CB-SD 4.4Å; I983-M995 HydrophobicContact CG2-SD 3.62Å; I983-M995 WeakPolarHBondContact O-CA 3.47Å; I983-M995 VanDerWaalsContact O-CB 3.29Å; I983-M995 WeakPolarHBondContact O-CB 3.29Å; I983-M995 PolarHBondContact O-N 2.92Å; F984-M995 VanDerWaalsContact C-SD 3.5Å; D985-M995 HydrophobicContact CB-CE 4.49Å; D985-M995 HydrophobicContact CB-CG 3.74Å; D985-M995 HydrophobicContact CB-SD 3.94Å; E993-M995 PolarHBondContact O-N 3.43Å; E993-M995 VanDerWaalsContact O-N 3.1Å; M995-R1023 WeakPolarHBondContact O-CB 3.29Å; M995-R1023 VanDerWaalsContact O-CD 3.26Å; M995-R1023 WeakPolarHBondContact O-CD 3.41Å; M995-R1023 VanDerWaalsContact O-CG 3.28Å; M995-R1023 WeakPolarHBondContact O-CG 3.13Å |
| 996 | G | 84.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.3 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E982 I983 F994 F1022 | E982-G996 WeakPolarHBondContact CA-O 3.49Å; I983-G996 PolarHBondContact N-O 2.89Å; I983-G996 PolarHBondContact O-N 2.83Å; F994-G996 VanDerWaalsContact CE2-C 3.48Å; F994-G996 VanDerWaalsContact CE2-O 3.32Å; F994-G996 WeakPolarHBondContact CE2-O 3.33Å; F994-G996 VanDerWaalsContact CZ-CA 3.5Å; G996-F1022 WeakPolarHBondContact CA-O 3.43Å |
| 997 | R | 85.8 | Confident | 79.8 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 6% | 0.057 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.4 | -179.3 | -179.6 | -172.8 | -73.5 | -153.2 | 3.2 | 111.3 | I859 I980 V981 E982 F994 F999 F1022 | I859-R997 VanDerWaalsContact CD1-NH1 3.33Å; I980-R997 VanDerWaalsContact CG2-CD 3.46Å; I980-R997 HydrophobicContact CG2-CG 3.51Å; V981-R997 CarbonylContact O-C 3.58Å; V981-R997 VanDerWaalsContact O-CA 3.27Å; V981-R997 WeakPolarHBondContact O-CA 3.4Å; V981-R997 WeakPolarHBondContact O-CG 3.5Å; E982-R997 VanDerWaalsContact CD-NH2 3.33Å; E982-R997 HydrophobicContact CG-CB 4.33Å; E982-R997 HydrophobicContact CG-CG 4.04Å; E982-R997 IonicContact OE1-CZ 2.94Å; E982-R997 IonicContact OE1-NE 3.2Å; E982-R997 PolarHBondContact OE1-NE 3.03Å; E982-R997 IonicContact OE1-NH2 3.28Å; E982-R997 PolarHBondContact OE1-NH2 3.07Å; E982-R997 IonicContact OE2-NH2 3.94Å; F994-R997 HydrophobicContact CE2-CB 3.92Å; F994-R997 HydrophobicContact CZ-CB 3.7Å; R997-F999 HydrophobicContact CG-CZ 4.26Å; R997-F1022 PolarHBondContact N-O 2.89Å; R997-F1022 PolarHBondContact O-N 2.96Å |
| 998 | C | 84.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 161.2 | 164 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | V981 W1019 P1020 V1021 | V981-C998 PolarHBondContact N-O 3.44Å; V981-C998 PolarHBondContact O-N 2.95Å; C998-W1019 HydrophobicContact CB-CB 4.04Å; C998-P1020 WeakPolarHBondContact CB-O 3.32Å; C998-V1021 HydrophobicContact CB-CG2 4.15Å |
| 999 | F | 80.3 | Confident | 80.8 | Confident | 36 Ų | 36 | 42 Ų | 42 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.2 | 177.9 | -57.1 | -86.3 | 0 | 0 | 0 | 108 | M203 Y843 E978 I980 R997 | M203-F999 HydrophobicContact CB-CE2 4.43Å; Y843-F999 AromaticContact CE1-CE1 3.84Å; Y843-F999 HydrophobicContact CE1-CE1 3.84Å; Y843-F999 HydrophobicContact CE2-CD1 4.34Å; Y843-F999 AromaticContact CE2-CE1 3.8Å; Y843-F999 HydrophobicContact CE2-CE1 3.8Å; Y843-F999 HydrophobicContact CE2-CZ 4.32Å; Y843-F999 AromaticContact CZ-CD1 3.93Å; Y843-F999 AromaticContact CZ-CE1 3.37Å; Y843-F999 WeakPolarHBondContact OH-CD1 3.45Å; Y843-F999 VanDerWaalsContact OH-CE1 3.32Å; Y843-F999 WeakPolarHBondContact OH-CE1 3.47Å; E978-F999 HydrophobicContact CG-CB 4.47Å; E978-F999 HydrophobicContact CG-CD1 4.37Å; I980-F999 HydrophobicContact CD1-CD1 4.22Å; I980-F999 HydrophobicContact CD1-CE1 3.94Å; I980-F999 HydrophobicContact CG1-CD1 3.83Å; I980-F999 HydrophobicContact CG1-CE1 4.02Å; R997-F999 HydrophobicContact CG-CZ 4.26Å |
| 1000 | C | 84.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.5 | -166.5 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | V979 W1019 F1035 | V979-C1000 HydrophobicContact CB-CB 4.15Å; V979-C1000 HydrophobicContact CG1-CB 4.48Å; V979-C1000 PolarHBondContact N-O 3Å; V979-C1000 PolarHBondContact O-N 2.97Å; C1000-W1019 HydrophobicContact CB-CD2 3.98Å; C1000-W1019 HydrophobicContact CB-CE3 4.2Å; C1000-W1019 HydrophobicContact CB-CG 4.5Å; C1000-W1019 HydrophobicContact CB-CH2 4.48Å; C1000-W1019 HydrophobicContact CB-CZ2 4.24Å; C1000-W1019 HydrophobicContact CB-CZ3 4.45Å; C1000-W1019 VanDerWaalsContact SG-CD2 3.59Å; C1000-W1019 VanDerWaalsContact SG-CG 3.52Å; C1000-F1035 HydrophobicContact CB-CD2 3.68Å; C1000-F1035 HydrophobicContact CB-CE2 3.43Å; C1000-F1035 VanDerWaalsContact CB-CE2 3.43Å; C1000-F1035 HydrophobicContact CB-CZ 4.28Å; C1000-F1035 VanDerWaalsContact SG-CE2 3.6Å |
| 1001 | E | 80.7 | Confident | 82.9 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 145.1 | 168.9 | -57.5 | -172.9 | 145.7 | 0 | 0 | 110.3 | R195 W1019 | R195-E1001 VanDerWaalsContact CD-OE1 3.27Å; R195-E1001 WeakPolarHBondContact CD-OE1 3.47Å; R195-E1001 WeakPolarHBondContact CD-OE2 3.36Å; R195-E1001 IonicContact CZ-OE1 3.67Å; R195-E1001 IonicContact NE-OE1 2.73Å; R195-E1001 IonicContact NH1-OE1 3.59Å; R195-E1001 PolarHBondContact NH1-OE1 3.49Å; R195-E1001 IonicContact NH1-OE2 2.73Å; E1001-W1019 HydrophobicContact CB-CH2 3.89Å; E1001-W1019 HydrophobicContact CG-CH2 4.09Å; E1001-W1019 HydrophobicContact CG-CZ3 4.36Å; E1001-W1019 VanDerWaalsContact N-CH2 3.26Å |
| 1002 | V | 87.7 | Confident | 83.7 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | trans | -108.8 | 137.3 | 176.2 | 73.9 | 0 | 0 | 0 | 0 | 110.9 | F910 Q977 V979 V1004 F1035 L1037 | F910-V1002 HydrophobicContact CE2-CG2 4.16Å; Q977-V1002 HydrophobicContact CB-CG1 4.02Å; Q977-V1002 WeakPolarHBondContact O-CG1 3.28Å; V979-V1002 HydrophobicContact CG2-CB 4.05Å; V979-V1002 HydrophobicContact CG2-CG2 4.35Å; V1002-V1004 HydrophobicContact CG1-CG2 4.13Å; V1002-F1035 HydrophobicContact CB-CB 4.32Å; V1002-F1035 HydrophobicContact CG2-CB 3.84Å; V1002-L1037 HydrophobicContact CG1-CD1 3.85Å; V1002-L1037 HydrophobicContact CG1-CG 4.47Å; V1002-L1037 HydrophobicContact CG2-CB 4.37Å; V1002-L1037 HydrophobicContact CG2-CD1 4.1Å; V1002-L1037 HydrophobicContact CG2-CG 3.82Å | ||
| 1003 | N | 88.4 | Confident | 84.1 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 34% | 0.337 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.5 | 170.5 | 177.6 | 45.1 | 0 | 0 | 0 | 109.6 | P1014 F1035 D1036 L1037 | N1003-P1014 HydrophobicContact CB-CB 4.49Å; N1003-F1035 PolarHBondContact N-O 2.66Å; N1003-D1036 WeakPolarHBondContact CB-OD1 3.34Å; N1003-D1036 PolarHBondContact ND2-OD1 3.3Å; N1003-D1036 CarbonylContact O-C 3.44Å; N1003-D1036 WeakPolarHBondContact O-CA 3.34Å; N1003-L1037 PolarHBondContact O-N 3.06Å |
| 1004 | V | 89.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.6 | -177.2 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | F908 V972 K973 L976 V1002 L1006 L1037 | F908-V1004 HydrophobicContact CE1-CG1 3.79Å; F908-V1004 HydrophobicContact CZ-CG1 4.3Å; V972-V1004 HydrophobicContact CG1-CG1 4.47Å; K973-V1004 HydrophobicContact CB-CB 4.17Å; K973-V1004 HydrophobicContact CB-CG1 3.86Å; K973-V1004 HydrophobicContact CD-CB 4.42Å; K973-V1004 HydrophobicContact CD-CG1 4.47Å; K973-V1004 WeakPolarHBondContact CD-O 3.45Å; K973-V1004 WeakPolarHBondContact CE-O 3.3Å; K973-V1004 HydrophobicContact CG-CB 4.11Å; K973-V1004 HydrophobicContact CG-CG1 4.27Å; K973-V1004 PolarHBondContact NZ-O 2.82Å; K973-V1004 VanDerWaalsContact NZ-O 3.08Å; L976-V1004 HydrophobicContact CD2-CB 4.5Å; L976-V1004 HydrophobicContact CD2-CG2 3.65Å; V1002-V1004 HydrophobicContact CG1-CG2 4.13Å; V1004-L1006 HydrophobicContact CG1-CD2 4Å; V1004-L1037 WeakPolarHBondContact CA-O 3.43Å; V1004-L1037 HydrophobicContact CG1-CB 4.48Å; V1004-L1037 HydrophobicContact CG2-CB 4.32Å; V1004-L1037 HydrophobicContact CG2-CD1 4.43Å |
| 1005 | T | 89.2 | Confident | 84.1 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.8 | 176.5 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | E1009 Y1011 L1037 Q1039 Y1046 | T1005-E1009 HydrophobicContact CG2-CB 4.24Å; T1005-Y1011 HydrophobicContact CG2-CD2 4.4Å; T1005-L1037 PolarHBondContact N-O 3.27Å; T1005-Q1039 PolarHBondContact O-N 3.31Å; T1005-Y1046 HydrophobicContact CG2-CD1 4.28Å; T1005-Y1046 HydrophobicContact CG2-CE1 3.63Å |
| 1006 | L | 89.3 | Confident | 84.3 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | trans | -101.7 | 166.1 | 179.1 | -54.6 | -177.1 | 0 | 0 | 0 | 111.7 | F908 A969 K973 V1004 E1009 Y1046 | F908-L1006 HydrophobicContact CE1-CD2 3.85Å; F908-L1006 HydrophobicContact CZ-CD2 3.69Å; A969-L1006 HydrophobicContact CB-CD2 4.08Å; K973-L1006 HydrophobicContact CB-CD1 4.04Å; K973-L1006 HydrophobicContact CB-CD2 4.31Å; K973-L1006 HydrophobicContact CB-CG 4.35Å; K973-L1006 HydrophobicContact CD-CD1 3.82Å; K973-L1006 HydrophobicContact CD-CG 3.85Å; V1004-L1006 HydrophobicContact CG1-CD2 4Å; L1006-E1009 HydrophobicContact CB-CG 4.18Å; L1006-E1009 PolarHBondContact N-OE2 3.08Å; L1006-E1009 WeakPolarHBondContact O-CB 3.42Å; L1006-E1009 PolarHBondContact O-N 3.23Å; L1006-Y1046 PolarHBondContact O-OH 3.05Å | ||
| 1007 | D | 83.1 | Confident | 84 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.2 | 175.1 | -172.3 | 22.9 | 0 | 0 | 0 | 111.1 | E1009 Q1043 Y1046 | D1007-E1009 VanDerWaalsContact C-N 3.25Å; D1007-E1009 PolarHBondContact O-N 2.69Å; D1007-Q1043 PolarHBondContact OD1-N 2.98Å; D1007-Q1043 VanDerWaalsContact OD1-N 3.12Å; D1007-Q1043 WeakPolarHBondContact OD2-CB 3.34Å; D1007-Q1043 VanDerWaalsContact OD2-CG 3.3Å; D1007-Q1043 WeakPolarHBondContact OD2-CG 3.37Å; D1007-Q1043 PolarHBondContact OD2-N 3.31Å; D1007-Q1043 PolarHBondContact OD2-NE2 3.37Å; D1007-Y1046 PolarHBondContact N-OH 3.34Å |
| 1008 | G | 81 | Confident | 83.8 | Confident | 76 Ų | 76 | 46 Ų | 46 | 78% | 0.784 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -6.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1009 | E | 83.7 | Confident | 83.8 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -84.7 | 138.4 | 174.4 | -62 | -171.5 | 132.3 | 0 | 0 | 112.1 | K973 T1005 L1006 D1007 Y1011 Y1046 | K973-E1009 IonicContact NZ-OE1 2.8Å; K973-E1009 PolarHBondContact NZ-OE1 2.81Å; K973-E1009 IonicContact NZ-OE2 2.77Å; K973-E1009 PolarHBondContact NZ-OE2 3.25Å; T1005-E1009 HydrophobicContact CG2-CB 4.24Å; L1006-E1009 HydrophobicContact CB-CG 4.18Å; L1006-E1009 PolarHBondContact N-OE2 3.08Å; L1006-E1009 WeakPolarHBondContact O-CB 3.42Å; L1006-E1009 PolarHBondContact O-N 3.23Å; D1007-E1009 VanDerWaalsContact C-N 3.25Å; D1007-E1009 PolarHBondContact O-N 2.69Å; E1009-Y1011 PolarHBondContact O-N 3.08Å; E1009-Y1011 VanDerWaalsContact O-N 3.09Å; E1009-Y1046 WeakPolarHBondContact O-CE1 3.4Å |
| 1010 | K | 82.7 | Confident | 83.9 | Confident | 145 Ų | 145 | 46.1 Ų | 46.1 | 63% | 0.63 | 24% | 0.235 | S | C | * | . | trans | -70.1 | 109.8 | 172.8 | -176.6 | 159.2 | -175.3 | 123.7 | 0 | 110.2 | E1047 | K1010-E1047 IonicContact NZ-OE2 2.77Å; K1010-E1047 PolarHBondContact NZ-OE2 3.12Å | ||
| 1011 | Y | 83.9 | Confident | 83.9 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | trans | -52.3 | 139 | 176.4 | 174.7 | -114.9 | 0 | 0 | 0 | 112 | T1005 E1009 P1013 D1036 I1038 L1049 | T1005-Y1011 HydrophobicContact CG2-CD2 4.4Å; E1009-Y1011 PolarHBondContact O-N 3.08Å; E1009-Y1011 VanDerWaalsContact O-N 3.09Å; Y1011-P1013 HydrophobicContact CD1-CG 4.48Å; Y1011-P1013 HydrophobicContact CE1-CB 4.4Å; Y1011-P1013 HydrophobicContact CE1-CG 3.76Å; Y1011-D1036 PolarHBondContact OH-OD2 3.07Å; Y1011-I1038 HydrophobicContact CD2-CD1 4.23Å; Y1011-I1038 HydrophobicContact CE2-CD1 3.78Å; Y1011-I1038 HydrophobicContact CE2-CG1 4.45Å; Y1011-L1049 HydrophobicContact CD1-CB 3.82Å; Y1011-L1049 HydrophobicContact CD1-CD1 4.2Å; Y1011-L1049 HydrophobicContact CE1-CB 3.93Å; Y1011-L1049 HydrophobicContact CE1-CD1 3.61Å; Y1011-L1049 HydrophobicContact CE1-CG 4.39Å; Y1011-L1049 HydrophobicContact CE2-CD1 4.11Å; Y1011-L1049 HydrophobicContact CG-CB 4.46Å | ||
| 1012 | K | 81.1 | Confident | 83.7 | Confident | 152 Ų | 152 | 45.9 Ų | 45.9 | 66% | 0.661 | 23% | 0.234 | S | C | * | . | trans | -133 | 115.6 | 175 | -68.2 | 179.8 | -177.5 | 178.3 | 0 | 107.3 | ||||
| 1013 | P | 82 | Confident | 82.8 | Confident | 44 Ų | 44 | 47 Ų | 47 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -55.6 | 137.7 | 178.2 | -24.5 | 31.9 | 0 | 0 | 0 | 111.9 | Y1011 I1156 | Y1011-P1013 HydrophobicContact CD1-CG 4.48Å; Y1011-P1013 HydrophobicContact CE1-CB 4.4Å; Y1011-P1013 HydrophobicContact CE1-CG 3.76Å; P1013-I1156 HydrophobicContact CB-CD1 4.18Å; P1013-I1156 HydrophobicContact CB-CG1 3.69Å |
| 1014 | P | 85.7 | Confident | 81.8 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 154.8 | 179.8 | 33.8 | -38.2 | 0 | 0 | 0 | 110.4 | Y913 N1003 A1034 D1036 | Y913-P1014 HydrophobicContact CD2-CG 3.97Å; Y913-P1014 HydrophobicContact CE2-CG 3.63Å; N1003-P1014 HydrophobicContact CB-CB 4.49Å; P1014-A1034 HydrophobicContact CB-CB 4.04Å; P1014-A1034 HydrophobicContact CG-CB 4.01Å; P1014-D1036 WeakPolarHBondContact CD-OD1 3.35Å; P1014-D1036 WeakPolarHBondContact CD-OD2 3.31Å; P1014-D1036 WeakPolarHBondContact CG-OD1 3.28Å; P1014-D1036 WeakPolarHBondContact CG-OD2 3.21Å |
| 1015 | R | 78.5 | Confident | 80.4 | Confident | 157 Ų | 157 | 49.3 Ų | 49.3 | 59% | 0.592 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 136.7 | 173.1 | -64 | -176 | -178.5 | -177 | 1.6 | 110 | Q1017 | R1015-Q1017 PolarHBondContact O-N 3.5Š|
| 1016 | L | 83.4 | Confident | 79.1 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 129.3 | 170.7 | -63.7 | 169 | 0 | 0 | 0 | 110 | F915 L1032 A1034 I1156 | F915-L1016 HydrophobicContact CB-CD1 3.9Å; F915-L1016 HydrophobicContact CB-CD2 4.2Å; F915-L1016 HydrophobicContact CD1-CD1 3.91Å; F915-L1016 HydrophobicContact CG-CD1 4Å; L1016-L1032 HydrophobicContact CB-CD1 3.65Å; L1016-L1032 HydrophobicContact CB-CG 3.99Å; L1016-A1034 HydrophobicContact CD2-CB 4.02Å; L1016-I1156 HydrophobicContact CD1-CG2 4.39Å; L1016-I1156 HydrophobicContact CD2-CG2 4.24Å; L1016-I1156 HydrophobicContact CG-CG2 3.96Å |
| 1017 | Q | 78.5 | Confident | 78.2 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.1 | -180 | -71.2 | 179 | 77.8 | 0 | 0 | 110.8 | E194 R1015 W1019 L1031 L1032 A1033 | E194-Q1017 HydrophobicContact CB-CG 4.26Å; E194-Q1017 HydrophobicContact CG-CG 4.06Å; R1015-Q1017 PolarHBondContact O-N 3.5Å; Q1017-W1019 HydrophobicContact CB-CZ2 4.12Å; Q1017-W1019 PolarHBondContact O-N 3.33Å; Q1017-W1019 PolarHBondContact O-NE1 2.71Å; Q1017-L1031 VanDerWaalsContact O-O 3.09Å; Q1017-L1032 WeakPolarHBondContact O-CA 3.43Å; Q1017-A1033 PolarHBondContact N-O 3.22Å; Q1017-A1033 PolarHBondContact O-N 3.22Å |
| 1018 | W | 82.1 | Confident | 77.8 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 103.2 | 175.3 | -76.3 | 114.6 | 0 | 0 | 0 | 110.7 | I916 R918 E1030 L1031 L1032 R1227 | I916-W1018 HydrophobicContact CG2-CH2 4.05Å; R918-W1018 HydrophobicContact CB-CH2 4.18Å; R918-W1018 HydrophobicContact CB-CZ3 4.29Å; R918-W1018 HydrophobicContact CG-CE3 4.42Å; R918-W1018 HydrophobicContact CG-CH2 3.79Å; R918-W1018 HydrophobicContact CG-CZ3 3.67Å; W1018-E1030 HydrophobicContact CD2-CB 4.42Å; W1018-E1030 HydrophobicContact CE3-CB 3.65Å; W1018-E1030 HydrophobicContact CZ3-CB 4.23Å; W1018-E1030 WeakPolarHBondContact CZ3-O 3.4Å; W1018-L1031 CarbonylContact C-O 3.58Å; W1018-L1031 WeakPolarHBondContact CA-O 3.32Å; W1018-L1032 HydrophobicContact CD2-CB 3.88Å; W1018-L1032 HydrophobicContact CD2-CD1 4.17Å; W1018-L1032 HydrophobicContact CD2-CG 4.41Å; W1018-L1032 HydrophobicContact CE3-CB 3.65Å; W1018-L1032 HydrophobicContact CG-CD1 4.17Å; W1018-L1032 HydrophobicContact CH2-CB 3.91Å; W1018-L1032 HydrophobicContact CH2-CD2 4.33Å; W1018-L1032 HydrophobicContact CZ2-CB 4.13Å; W1018-L1032 HydrophobicContact CZ2-CD2 3.86Å; W1018-L1032 HydrophobicContact CZ3-CB 3.66Å; W1018-R1227 PolarHBondContact NE1-O 2.81Å |
| 1019 | W | 84.1 | Confident | 77.9 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.6 | 176.9 | -57.3 | 96.9 | 0 | 0 | 0 | 110.6 | C998 C1000 E1001 Q1017 V1021 E1030 L1031 A1033 | C998-W1019 HydrophobicContact CB-CB 4.04Å; C1000-W1019 HydrophobicContact CB-CD2 3.98Å; C1000-W1019 HydrophobicContact CB-CE3 4.2Å; C1000-W1019 HydrophobicContact CB-CG 4.5Å; C1000-W1019 HydrophobicContact CB-CH2 4.48Å; C1000-W1019 HydrophobicContact CB-CZ2 4.24Å; C1000-W1019 HydrophobicContact CB-CZ3 4.45Å; C1000-W1019 VanDerWaalsContact SG-CD2 3.59Å; C1000-W1019 VanDerWaalsContact SG-CG 3.52Å; E1001-W1019 HydrophobicContact CB-CH2 3.89Å; E1001-W1019 HydrophobicContact CG-CH2 4.09Å; E1001-W1019 HydrophobicContact CG-CZ3 4.36Å; E1001-W1019 VanDerWaalsContact N-CH2 3.26Å; Q1017-W1019 HydrophobicContact CB-CZ2 4.12Å; Q1017-W1019 PolarHBondContact O-N 3.33Å; Q1017-W1019 PolarHBondContact O-NE1 2.71Å; W1019-V1021 PolarHBondContact O-N 2.79Å; W1019-E1030 CarbonylContact O-C 3.57Å; W1019-E1030 WeakPolarHBondContact O-CA 3.28Å; W1019-L1031 PolarHBondContact N-O 3.35Å; W1019-L1031 PolarHBondContact O-N 3.47Å; W1019-A1033 PolarHBondContact NE1-O 3.45Å |
| 1020 | P | 83.2 | Confident | 78 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.2 | 179.1 | 28.7 | -33.1 | 0 | 0 | 0 | 111.3 | I200 C998 F1022 | I200-P1020 HydrophobicContact CD1-CG 4.14Å; I200-P1020 HydrophobicContact CG1-CG 4.06Å; C998-P1020 WeakPolarHBondContact CB-O 3.32Å; P1020-F1022 HydrophobicContact CB-CE2 3.78Å; P1020-F1022 HydrophobicContact CB-CZ 4.08Å; P1020-F1022 HydrophobicContact CG-CE2 3.92Å; P1020-F1022 HydrophobicContact CG-CZ 4.44Å |
| 1021 | V | 85 | Confident | 78.3 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.9 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | I983 C998 W1019 G1028 G1029 L1031 | I983-V1021 HydrophobicContact CD1-CG1 4.32Å; I983-V1021 HydrophobicContact CD1-CG2 3.93Å; C998-V1021 HydrophobicContact CB-CG2 4.15Å; W1019-V1021 PolarHBondContact O-N 2.79Å; V1021-G1028 WeakPolarHBondContact O-CA 3.18Å; V1021-G1028 PolarHBondContact O-N 3.02Å; V1021-G1029 PolarHBondContact N-O 3.47Å; V1021-L1031 HydrophobicContact CG2-CB 4.05Å |
| 1022 | F | 74.8 | Confident | 78.5 | Confident | 45 Ų | 45 | 42 Ų | 42 | 20% | 0.197 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.7 | -179.5 | -65.9 | -82.7 | 0 | 0 | 0 | 112.6 | G996 R997 P1020 G1024 T1026 | G996-F1022 WeakPolarHBondContact CA-O 3.43Å; R997-F1022 PolarHBondContact N-O 2.89Å; R997-F1022 PolarHBondContact O-N 2.96Å; P1020-F1022 HydrophobicContact CB-CE2 3.78Å; P1020-F1022 HydrophobicContact CB-CZ 4.08Å; P1020-F1022 HydrophobicContact CG-CE2 3.92Å; P1020-F1022 HydrophobicContact CG-CZ 4.44Å; F1022-G1024 PolarHBondContact O-N 3.02Å; F1022-T1026 CarbonylContact C-O 3.52Å; F1022-T1026 WeakPolarHBondContact CA-O 3.41Å |
| 1023 | R | 70.6 | Confident | 79 | Confident | 29 Ų | 29 | 34.8 Ų | 34.8 | 11% | 0.109 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 75.4 | 168.4 | -156.2 | 175.3 | -166.1 | -168.5 | -2.7 | 108.9 | I921 E993 F994 M995 Q1025 T1026 | I921-R1023 HydrophobicContact CD1-CB 3.94Å; I921-R1023 HydrophobicContact CD1-CG 4.43Å; E993-R1023 VanDerWaalsContact CD-NH2 3.34Å; E993-R1023 IonicContact OE1-CZ 3.19Å; E993-R1023 IonicContact OE1-NH1 3.76Å; E993-R1023 PolarHBondContact OE1-NH1 2.9Å; E993-R1023 IonicContact OE1-NH2 3.64Å; E993-R1023 PolarHBondContact OE1-NH2 2.93Å; F994-R1023 HydrophobicContact CD1-CG 4.31Å; F994-R1023 HydrophobicContact CE1-CG 4.22Å; F994-R1023 PolarHBondContact O-NE 2.91Å; F994-R1023 PolarHBondContact O-NH2 3.19Å; M995-R1023 WeakPolarHBondContact O-CB 3.29Å; M995-R1023 VanDerWaalsContact O-CD 3.26Å; M995-R1023 WeakPolarHBondContact O-CD 3.41Å; M995-R1023 VanDerWaalsContact O-CG 3.28Å; M995-R1023 WeakPolarHBondContact O-CG 3.13Å; R1023-Q1025 PolarHBondContact O-N 3.2Å; R1023-Q1025 VanDerWaalsContact O-N 3.1Å; R1023-T1026 PolarHBondContact N-O 3.49Å; R1023-T1026 PolarHBondContact O-N 2.91Å |
| 1024 | G | 65.5 | Low | 79.4 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 25% | 0.247 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | -96.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1022 | F1022-G1024 PolarHBondContact O-N 3.02Š|
| 1025 | Q | 61.1 | Low | 79.8 | Confident | 91 Ų | 91 | 32.2 Ų | 32.2 | 43% | 0.425 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -11 | 174.1 | -60.7 | -158.9 | -73.8 | 0 | 0 | 113.9 | S202 R1023 | S202-Q1025 PolarHBondContact OG-NE2 3.05Å; S202-Q1025 VanDerWaalsContact OG-NE2 3.12Å; R1023-Q1025 PolarHBondContact O-N 3.2Å; R1023-Q1025 VanDerWaalsContact O-N 3.1Å |
| 1026 | T | 62.6 | Low | 80.4 | Confident | 67 Ų | 67 | 24.8 Ų | 24.8 | 41% | 0.411 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.1 | 179.9 | -54 | 0 | 0 | 0 | 0 | 110.4 | F1022 R1023 G1028 | F1022-T1026 CarbonylContact C-O 3.52Å; F1022-T1026 WeakPolarHBondContact CA-O 3.41Å; R1023-T1026 PolarHBondContact N-O 3.49Å; R1023-T1026 PolarHBondContact O-N 2.91Å; T1026-G1028 PolarHBondContact O-N 3.14Å |
| 1027 | P | 70.4 | Confident | 80.8 | Confident | 91 Ų | 91 | 24.6 Ų | 24.6 | 59% | 0.591 | 14% | 0.137 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 121.3 | 171.2 | -24.9 | 35.5 | 0 | 0 | 0 | 111.9 | ||
| 1028 | G | 74.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 2.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | L920 V1021 T1026 | L920-G1028 WeakPolarHBondContact CA-O 3.45Å; V1021-G1028 WeakPolarHBondContact O-CA 3.18Å; V1021-G1028 PolarHBondContact O-N 3.02Å; T1026-G1028 PolarHBondContact O-N 3.14Å |
| 1029 | G | 82.1 | Confident | 81.8 | Confident | 13 Ų | 13 | 23.1 Ų | 23.1 | 13% | 0.134 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125 | -167 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R918 D919 V1021 | R918-G1029 WeakPolarHBondContact O-CA 3.36Å; D919-G1029 WeakPolarHBondContact O-CA 3.49Å; D919-G1029 PolarHBondContact O-N 3.21Å; V1021-G1029 PolarHBondContact N-O 3.47Å |
| 1030 | E | 85.9 | Confident | 81.6 | Confident | 35 Ų | 35 | 23.5 Ų | 23.5 | 16% | 0.164 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.6 | 169.6 | -63.7 | -171.9 | 135.6 | 0 | 0 | 110.6 | K196 A917 R918 W1018 W1019 | K196-E1030 IonicContact NZ-OE1 2.85Å; K196-E1030 PolarHBondContact NZ-OE1 3.36Å; A917-E1030 CarbonylContact C-O 3.57Å; A917-E1030 VanDerWaalsContact CA-O 3.25Å; A917-E1030 WeakPolarHBondContact CA-O 3.27Å; A917-E1030 WeakPolarHBondContact CB-O 3.19Å; R918-E1030 HydrophobicContact CG-CB 4.28Å; R918-E1030 IonicContact CZ-OE2 3.22Å; R918-E1030 PolarHBondContact N-O 2.86Å; R918-E1030 IonicContact NE-OE2 2.64Å; R918-E1030 PolarHBondContact NE-OE2 2.96Å; R918-E1030 IonicContact NH2-OE2 3.77Å; R918-E1030 PolarHBondContact NH2-OE2 3.21Å; R918-E1030 PolarHBondContact O-N 2.91Å; W1018-E1030 HydrophobicContact CD2-CB 4.42Å; W1018-E1030 HydrophobicContact CE3-CB 3.65Å; W1018-E1030 HydrophobicContact CZ3-CB 4.23Å; W1018-E1030 WeakPolarHBondContact CZ3-O 3.4Å; W1019-E1030 CarbonylContact O-C 3.57Å; W1019-E1030 WeakPolarHBondContact O-CA 3.28Å |
| 1031 | L | 89.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | 178.6 | 174.2 | 69.2 | 0 | 0 | 0 | 110.5 | I914 A917 W955 V981 Q1017 W1018 W1019 V1021 A1033 | I914-L1031 HydrophobicContact CG2-CD1 4.38Å; A917-L1031 HydrophobicContact CB-CD1 3.96Å; W955-L1031 HydrophobicContact CZ3-CD1 3.82Å; V981-L1031 HydrophobicContact CB-CD2 3.84Å; V981-L1031 HydrophobicContact CG1-CD2 3.67Å; V981-L1031 HydrophobicContact CG2-CD2 3.98Å; Q1017-L1031 VanDerWaalsContact O-O 3.09Å; W1018-L1031 CarbonylContact C-O 3.58Å; W1018-L1031 WeakPolarHBondContact CA-O 3.32Å; W1019-L1031 PolarHBondContact N-O 3.35Å; W1019-L1031 PolarHBondContact O-N 3.47Å; V1021-L1031 HydrophobicContact CG2-CB 4.05Å; L1031-A1033 HydrophobicContact CD2-CB 4.12Å; L1031-A1033 HydrophobicContact CG-CB 4.01Å; L1031-A1033 PolarHBondContact O-N 2.88Å |
| 1032 | L | 87.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 101.1 | 174.4 | -172.7 | 51.5 | 0 | 0 | 0 | 110.1 | F915 I916 L1016 Q1017 W1018 Y1228 | F915-L1032 HydrophobicContact CD1-CD2 3.85Å; F915-L1032 HydrophobicContact CD1-CG 4.25Å; F915-L1032 HydrophobicContact CE1-CD2 4.4Å; F915-L1032 PolarHBondContact N-O 3.08Å; I916-L1032 HydrophobicContact CG2-CB 3.75Å; I916-L1032 HydrophobicContact CG2-CD2 3.82Å; I916-L1032 HydrophobicContact CG2-CG 4.28Å; I916-L1032 WeakPolarHBondContact O-CA 3.49Å; I916-L1032 WeakPolarHBondContact O-CB 3.36Å; I916-L1032 PolarHBondContact O-N 3.4Å; L1016-L1032 HydrophobicContact CB-CD1 3.65Å; L1016-L1032 HydrophobicContact CB-CG 3.99Å; Q1017-L1032 WeakPolarHBondContact O-CA 3.43Å; W1018-L1032 HydrophobicContact CD2-CB 3.88Å; W1018-L1032 HydrophobicContact CD2-CD1 4.17Å; W1018-L1032 HydrophobicContact CD2-CG 4.41Å; W1018-L1032 HydrophobicContact CE3-CB 3.65Å; W1018-L1032 HydrophobicContact CG-CD1 4.17Å; W1018-L1032 HydrophobicContact CH2-CB 3.91Å; W1018-L1032 HydrophobicContact CH2-CD2 4.33Å; W1018-L1032 HydrophobicContact CZ2-CB 4.13Å; W1018-L1032 HydrophobicContact CZ2-CD2 3.86Å; W1018-L1032 HydrophobicContact CZ3-CB 3.66Å; L1032-Y1228 HydrophobicContact CD1-CD1 4.02Å; L1032-Y1228 HydrophobicContact CD1-CE1 4.13Å; L1032-Y1228 HydrophobicContact CD2-CD1 3.77Å; L1032-Y1228 HydrophobicContact CD2-CG 4.47Å |
| 1033 | A | 91.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y913 I914 Q1017 W1019 L1031 F1035 | Y913-A1033 VanDerWaalsContact O-CA 3.24Å; Y913-A1033 WeakPolarHBondContact O-CA 3.36Å; I914-A1033 HydrophobicContact CD1-CB 3.98Å; Q1017-A1033 PolarHBondContact N-O 3.22Å; Q1017-A1033 PolarHBondContact O-N 3.22Å; W1019-A1033 PolarHBondContact NE1-O 3.45Å; L1031-A1033 HydrophobicContact CD2-CB 4.12Å; L1031-A1033 HydrophobicContact CG-CB 4.01Å; L1031-A1033 PolarHBondContact O-N 2.88Å; A1033-F1035 HydrophobicContact CB-CE2 3.89Å; A1033-F1035 HydrophobicContact CB-CZ 3.77Å |
| 1034 | A | 91.5 | Very high | 80.3 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y913 P1014 L1016 | Y913-A1034 HydrophobicContact CD2-CB 4.04Å; Y913-A1034 WeakPolarHBondContact CD2-O 3.36Å; Y913-A1034 PolarHBondContact N-O 3.32Å; Y913-A1034 PolarHBondContact O-N 2.89Å; P1014-A1034 HydrophobicContact CB-CB 4.04Å; P1014-A1034 HydrophobicContact CG-CB 4.01Å; L1016-A1034 HydrophobicContact CD2-CB 4.02Å |
| 1035 | F | 93.1 | Very high | 80.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 132 | -175.1 | -52.6 | -84.5 | 0 | 0 | 0 | 111 | F910 R911 C912 I914 I935 V979 V981 C1000 V1002 N1003 A1033 | F910-F1035 HydrophobicContact CE2-CB 4.22Å; F910-F1035 HydrophobicContact CE2-CD1 4.39Å; F910-F1035 HydrophobicContact CZ-CD1 4.07Å; R911-F1035 WeakPolarHBondContact O-CA 3.44Å; C912-F1035 HydrophobicContact CB-CD1 3.91Å; C912-F1035 HydrophobicContact CB-CE1 3.93Å; I914-F1035 HydrophobicContact CD1-CE1 3.79Å; I914-F1035 HydrophobicContact CD1-CZ 3.89Å; I935-F1035 HydrophobicContact CG1-CE1 4.49Å; I935-F1035 HydrophobicContact CG2-CE1 4.09Å; V979-F1035 HydrophobicContact CB-CG 4.46Å; V979-F1035 HydrophobicContact CG1-CD1 3.8Å; V979-F1035 HydrophobicContact CG1-CE1 3.85Å; V979-F1035 HydrophobicContact CG1-CG 4.16Å; V979-F1035 HydrophobicContact CG1-CZ 4.27Å; V979-F1035 HydrophobicContact CG2-CB 4.37Å; V979-F1035 HydrophobicContact CG2-CG 4.37Å; V981-F1035 HydrophobicContact CG2-CE1 4.11Å; V981-F1035 HydrophobicContact CG2-CZ 3.59Å; C1000-F1035 HydrophobicContact CB-CD2 3.68Å; C1000-F1035 HydrophobicContact CB-CE2 3.43Å; C1000-F1035 VanDerWaalsContact CB-CE2 3.43Å; C1000-F1035 HydrophobicContact CB-CZ 4.28Å; C1000-F1035 VanDerWaalsContact SG-CE2 3.6Å; V1002-F1035 HydrophobicContact CB-CB 4.32Å; V1002-F1035 HydrophobicContact CG2-CB 3.84Å; N1003-F1035 PolarHBondContact N-O 2.66Å; A1033-F1035 HydrophobicContact CB-CE2 3.89Å; A1033-F1035 HydrophobicContact CB-CZ 3.77Å |
| 1036 | D | 91.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.1 | 171.4 | -71.2 | -46.5 | 0 | 0 | 0 | 111.7 | F910 R911 Y913 N1003 Y1011 P1014 I1038 | F910-D1036 WeakPolarHBondContact CA-O 3.24Å; F910-D1036 WeakPolarHBondContact CD2-O 3.38Å; R911-D1036 HydrophobicContact CB-CB 4.44Å; R911-D1036 PolarHBondContact N-O 2.74Å; R911-D1036 PolarHBondContact O-N 3.09Å; Y913-D1036 HydrophobicContact CE2-CB 4.41Å; Y913-D1036 WeakPolarHBondContact CE2-OD2 3.32Å; Y913-D1036 PolarHBondContact OH-OD2 3.37Å; N1003-D1036 WeakPolarHBondContact CB-OD1 3.34Å; N1003-D1036 PolarHBondContact ND2-OD1 3.3Å; N1003-D1036 CarbonylContact O-C 3.44Å; N1003-D1036 WeakPolarHBondContact O-CA 3.34Å; Y1011-D1036 PolarHBondContact OH-OD2 3.07Å; P1014-D1036 WeakPolarHBondContact CD-OD1 3.35Å; P1014-D1036 WeakPolarHBondContact CD-OD2 3.31Å; P1014-D1036 WeakPolarHBondContact CG-OD1 3.28Å; P1014-D1036 WeakPolarHBondContact CG-OD2 3.21Å; D1036-I1038 HydrophobicContact CB-CD1 4.38Å; D1036-I1038 HydrophobicContact CB-CG1 3.97Å |
| 1037 | L | 91.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.3 | 153.3 | -74.1 | 167.5 | 0 | 0 | 0 | 107.8 | F908 Q909 F910 I937 V963 F965 V972 Q977 V1002 N1003 V1004 T1005 | F908-L1037 HydrophobicContact CB-CB 4.29Å; F908-L1037 HydrophobicContact CB-CD2 3.81Å; F908-L1037 HydrophobicContact CD1-CB 3.78Å; F908-L1037 HydrophobicContact CE1-CB 4.49Å; F908-L1037 HydrophobicContact CG-CB 4.27Å; F908-L1037 HydrophobicContact CG-CD2 4.48Å; Q909-L1037 WeakPolarHBondContact O-CA 3.35Å; F910-L1037 HydrophobicContact CB-CD2 3.8Å; F910-L1037 HydrophobicContact CD2-CD2 3.73Å; F910-L1037 HydrophobicContact CD2-CG 4.09Å; F910-L1037 HydrophobicContact CG-CD2 4.17Å; I937-L1037 HydrophobicContact CD1-CD1 4.32Å; I937-L1037 HydrophobicContact CD1-CD2 4.24Å; V963-L1037 HydrophobicContact CG2-CD2 3.55Å; F965-L1037 HydrophobicContact CE2-CD1 3.92Å; F965-L1037 HydrophobicContact CE2-CD2 4.11Å; F965-L1037 HydrophobicContact CZ-CD1 3.97Å; F965-L1037 HydrophobicContact CZ-CD2 4.22Å; V972-L1037 HydrophobicContact CG1-CD1 4.42Å; Q977-L1037 HydrophobicContact CB-CD1 4.18Å; Q977-L1037 HydrophobicContact CG-CD1 3.74Å; V1002-L1037 HydrophobicContact CG1-CD1 3.85Å; V1002-L1037 HydrophobicContact CG1-CG 4.47Å; V1002-L1037 HydrophobicContact CG2-CB 4.37Å; V1002-L1037 HydrophobicContact CG2-CD1 4.1Å; V1002-L1037 HydrophobicContact CG2-CG 3.82Å; N1003-L1037 PolarHBondContact O-N 3.06Å; V1004-L1037 WeakPolarHBondContact CA-O 3.43Å; V1004-L1037 HydrophobicContact CG1-CB 4.48Å; V1004-L1037 HydrophobicContact CG2-CB 4.32Å; V1004-L1037 HydrophobicContact CG2-CD1 4.43Å; T1005-L1037 PolarHBondContact N-O 3.27Å |
| 1038 | I | 90.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.2 | 177.1 | -53.3 | 179.7 | 0 | 0 | 0 | 107.6 | F908 Q909 Y1011 D1036 D1040 Y1046 L1049 | F908-I1038 CarbonylContact C-O 3.49Å; F908-I1038 VanDerWaalsContact CA-O 3.29Å; F908-I1038 WeakPolarHBondContact CA-O 3.47Å; F908-I1038 VanDerWaalsContact CD1-C 3.44Å; F908-I1038 WeakPolarHBondContact CD1-O 3.38Å; Q909-I1038 HydrophobicContact CB-CB 4.42Å; Q909-I1038 PolarHBondContact N-O 2.9Å; Q909-I1038 PolarHBondContact O-N 2.89Å; Y1011-I1038 HydrophobicContact CD2-CD1 4.23Å; Y1011-I1038 HydrophobicContact CE2-CD1 3.78Å; Y1011-I1038 HydrophobicContact CE2-CG1 4.45Å; D1036-I1038 HydrophobicContact CB-CD1 4.38Å; D1036-I1038 HydrophobicContact CB-CG1 3.97Å; I1038-D1040 PolarHBondContact O-N 3.11Å; I1038-Y1046 HydrophobicContact CG2-CD2 3.7Å; I1038-Y1046 HydrophobicContact CG2-CE2 3.27Å; I1038-L1049 HydrophobicContact CD1-CD1 3.43Å; I1038-L1049 VanDerWaalsContact CD1-CD1 3.43Å; I1038-L1049 HydrophobicContact CD1-CD2 3.71Å; I1038-L1049 HydrophobicContact CD1-CG 4.24Å; I1038-L1049 HydrophobicContact CG2-CD2 4.21Å |
| 1039 | Q | 90.1 | Very high | 82 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 131.8 | -179.2 | -176.2 | 177 | -31.1 | 0 | 0 | 110.4 | F908 T1005 | F908-Q1039 HydrophobicContact CD1-CB 4.28Å; F908-Q1039 HydrophobicContact CE1-CB 3.91Å; F908-Q1039 HydrophobicContact CZ-CB 4.35Å; T1005-Q1039 PolarHBondContact O-N 3.31Å |
| 1040 | D | 81.4 | Confident | 81.9 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -92.5 | 158.2 | -176.4 | -146.5 | 7.7 | 0 | 0 | 0 | 111.2 | R907 Q909 Q962 I1038 | R907-D1040 HydrophobicContact CB-CB 3.94Å; R907-D1040 PolarHBondContact O-N 2.79Å; Q909-D1040 HydrophobicContact CG-CB 4.16Å; Q909-D1040 VanDerWaalsContact CG-OD1 3.27Å; Q909-D1040 WeakPolarHBondContact CG-OD1 3.46Å; Q909-D1040 PolarHBondContact NE2-OD1 2.91Å; Q962-D1040 WeakPolarHBondContact CG-OD2 3.39Å; Q962-D1040 PolarHBondContact NE2-OD2 3.13Å; I1038-D1040 PolarHBondContact O-N 3.11Å |
| 1041 | D | 75.3 | Confident | 81.7 | Confident | 110 Ų | 110 | 47.4 Ų | 47.4 | 59% | 0.588 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 49 | 50 | -168 | -52.9 | -52.9 | 0 | 0 | 0 | 113.9 | R907 | R907-D1041 IonicContact CZ-OD2 3.65Å; R907-D1041 IonicContact NH1-OD1 3.99Å; R907-D1041 IonicContact NH1-OD2 2.67Å; R907-D1041 PolarHBondContact NH1-OD2 3.32Å |
| 1042 | P | 67.1 | Low | 81.3 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 26% | 0.26 | 27% | 0.267 | S | S | . | . | trans | -70 | 153.8 | -177.7 | 32.4 | -37.5 | 0 | 0 | 0 | 112.7 | V1044 Y1046 | P1042-V1044 PolarHBondContact O-N 3.5Å; P1042-Y1046 HydrophobicContact CB-CE2 3.98Å; P1042-Y1046 HydrophobicContact CG-CD2 4.37Å; P1042-Y1046 HydrophobicContact CG-CE2 3.96Å | ||
| 1043 | Q | 73.2 | Confident | 81.1 | Confident | 171 Ų | 171 | 57.7 Ų | 57.7 | 80% | 0.799 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -66.6 | -26.2 | 177.9 | -75.5 | 168.1 | 77.1 | 0 | 0 | 113.3 | D1007 | D1007-Q1043 PolarHBondContact OD1-N 2.98Å; D1007-Q1043 VanDerWaalsContact OD1-N 3.12Å; D1007-Q1043 WeakPolarHBondContact OD2-CB 3.34Å; D1007-Q1043 VanDerWaalsContact OD2-CG 3.3Å; D1007-Q1043 WeakPolarHBondContact OD2-CG 3.37Å; D1007-Q1043 PolarHBondContact OD2-N 3.31Å; D1007-Q1043 PolarHBondContact OD2-NE2 3.37Å |
| 1044 | V | 69.4 | Low | 80.8 | Confident | 99 Ų | 99 | 62.6 Ų | 62.6 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -136.8 | 133.6 | 178.7 | -175 | 0 | 0 | 0 | 0 | 109.3 | P1042 Y1046 | P1042-V1044 PolarHBondContact O-N 3.5Å; V1044-Y1046 PolarHBondContact O-N 2.88Å |
| 1045 | P | 71.8 | Confident | 80.4 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | trans | -59.7 | 136 | 173.7 | -24.2 | 34.6 | 0 | 0 | 0 | 112.5 | E1047 | P1045-E1047 PolarHBondContact O-N 3.29Š| ||
| 1046 | Y | 74.9 | Confident | 80 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | trans | -71 | 115.6 | -179.3 | -65.9 | -78.9 | 0 | 0 | 0 | 112.3 | T1005 L1006 D1007 E1009 I1038 P1042 V1044 N1048 L1049 | T1005-Y1046 HydrophobicContact CG2-CD1 4.28Å; T1005-Y1046 HydrophobicContact CG2-CE1 3.63Å; L1006-Y1046 PolarHBondContact O-OH 3.05Å; D1007-Y1046 PolarHBondContact N-OH 3.34Å; E1009-Y1046 WeakPolarHBondContact O-CE1 3.4Å; I1038-Y1046 HydrophobicContact CG2-CD2 3.7Å; I1038-Y1046 HydrophobicContact CG2-CE2 3.27Å; P1042-Y1046 HydrophobicContact CB-CE2 3.98Å; P1042-Y1046 HydrophobicContact CG-CD2 4.37Å; P1042-Y1046 HydrophobicContact CG-CE2 3.96Å; V1044-Y1046 PolarHBondContact O-N 2.88Å; Y1046-N1048 PolarHBondContact O-N 3.08Å; Y1046-L1049 HydrophobicContact CD2-CD2 3.95Å; Y1046-L1049 HydrophobicContact CG-CD2 4.31Å; Y1046-L1049 WeakPolarHBondContact O-CB 3.33Å; Y1046-L1049 PolarHBondContact O-N 3.23Å | ||
| 1047 | E | 72.8 | Confident | 79.7 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 137 | 171.8 | -60 | -177.5 | 146.9 | 0 | 0 | 111.7 | K1010 P1045 L1049 | K1010-E1047 IonicContact NZ-OE2 2.77Å; K1010-E1047 PolarHBondContact NZ-OE2 3.12Å; P1045-E1047 PolarHBondContact O-N 3.29Å; E1047-L1049 PolarHBondContact O-N 2.94Å |
| 1048 | N | 70.9 | Confident | 79.3 | Confident | 119 Ų | 119 | 69.8 Ų | 69.8 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 9.1 | 178.1 | -38.6 | -92.6 | 0 | 0 | 0 | 115.3 | Y1046 P1050 | Y1046-N1048 PolarHBondContact O-N 3.08Å; N1048-P1050 WeakPolarHBondContact O-CD 3.35Å |
| 1049 | L | 81.1 | Confident | 79 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | trans | -90.3 | 110.9 | 165.3 | 179.3 | 67.7 | 0 | 0 | 0 | 108.8 | Y1011 I1038 Y1046 E1047 | Y1011-L1049 HydrophobicContact CD1-CB 3.82Å; Y1011-L1049 HydrophobicContact CD1-CD1 4.2Å; Y1011-L1049 HydrophobicContact CE1-CB 3.93Å; Y1011-L1049 HydrophobicContact CE1-CD1 3.61Å; Y1011-L1049 HydrophobicContact CE1-CG 4.39Å; Y1011-L1049 HydrophobicContact CE2-CD1 4.11Å; Y1011-L1049 HydrophobicContact CG-CB 4.46Å; I1038-L1049 HydrophobicContact CD1-CD1 3.43Å; I1038-L1049 VanDerWaalsContact CD1-CD1 3.43Å; I1038-L1049 HydrophobicContact CD1-CD2 3.71Å; I1038-L1049 HydrophobicContact CD1-CG 4.24Å; I1038-L1049 HydrophobicContact CG2-CD2 4.21Å; Y1046-L1049 HydrophobicContact CD2-CD2 3.95Å; Y1046-L1049 HydrophobicContact CG-CD2 4.31Å; Y1046-L1049 WeakPolarHBondContact O-CB 3.33Å; Y1046-L1049 PolarHBondContact O-N 3.23Å; E1047-L1049 PolarHBondContact O-N 2.94Å | ||
| 1050 | P | 79.2 | Confident | 78.7 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 18% | 0.175 | 40% | 0.395 | C | S | . | . | trans | -68.4 | 142.3 | -177.4 | 26.7 | -34.2 | 0 | 0 | 0 | 112.2 | R911 N1048 E1054 L1055 P1153 | R911-P1050 PolarHBondContact NH1-O 2.73Å; N1048-P1050 WeakPolarHBondContact O-CD 3.35Å; P1050-E1054 WeakPolarHBondContact CA-OE2 3.46Å; P1050-E1054 HydrophobicContact CB-CB 4.39Å; P1050-L1055 HydrophobicContact CB-CD2 4.24Å; P1050-L1055 HydrophobicContact CB-CG 4.22Å; P1050-L1055 HydrophobicContact CG-CD2 3.98Å; P1050-L1055 HydrophobicContact CG-CG 4.3Å; P1050-P1153 HydrophobicContact CG-CG 4.21Å | ||
| 1051 | T | 82.3 | Confident | 78.6 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | trans | -72.8 | 162.6 | 173.5 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | E1053 E1054 L1055 | T1051-E1053 PolarHBondContact O-N 2.85Å; T1051-E1054 VanDerWaalsContact CG2-OE1 3.27Å; T1051-E1054 WeakPolarHBondContact CG2-OE1 3.43Å; T1051-E1054 PolarHBondContact N-OE2 2.73Å; T1051-E1054 PolarHBondContact O-N 3.33Å; T1051-E1054 WeakPolarHBondContact OG1-CB 3.27Å; T1051-E1054 VanDerWaalsContact OG1-CG 3.24Å; T1051-E1054 WeakPolarHBondContact OG1-CG 3.47Å; T1051-E1054 PolarHBondContact OG1-N 2.88Å; T1051-E1054 VanDerWaalsContact OG1-N 3.15Å; T1051-E1054 PolarHBondContact OG1-OE1 2.78Å; T1051-L1055 WeakPolarHBondContact O-CB 3.48Å; T1051-L1055 VanDerWaalsContact O-CG 3.29Å; T1051-L1055 WeakPolarHBondContact O-CG 3.48Å; T1051-L1055 PolarHBondContact O-N 2.85Å | ||
| 1052 | F | 79.9 | Confident | 78.6 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 23% | 0.232 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.4 | -25.6 | 177.1 | -67.6 | -68.9 | 0 | 0 | 0 | 112.8 | Y960 L1055 A1056 Y1150 | Y960-F1052 HydrophobicContact CD1-CE1 4.16Å; Y960-F1052 HydrophobicContact CD1-CE2 4.16Å; Y960-F1052 AromaticContact CD1-CZ 3.71Å; Y960-F1052 HydrophobicContact CD1-CZ 3.71Å; Y960-F1052 HydrophobicContact CD2-CE1 4.34Å; Y960-F1052 HydrophobicContact CD2-CE2 4.31Å; Y960-F1052 AromaticContact CD2-CZ 3.54Å; Y960-F1052 HydrophobicContact CD2-CZ 3.54Å; Y960-F1052 HydrophobicContact CE1-CE2 4.06Å; Y960-F1052 HydrophobicContact CE1-CZ 4.04Å; Y960-F1052 HydrophobicContact CE2-CE2 4.21Å; Y960-F1052 AromaticContact CE2-CZ 3.89Å; Y960-F1052 HydrophobicContact CE2-CZ 3.89Å; Y960-F1052 AromaticContact CG-CE1 3.88Å; Y960-F1052 HydrophobicContact CG-CE1 3.88Å; Y960-F1052 HydrophobicContact CG-CE2 4.29Å; Y960-F1052 AromaticContact CG-CZ 3.45Å; Y960-F1052 HydrophobicContact CG-CZ 3.45Å; Y960-F1052 VanDerWaalsContact CG-CZ 3.45Å; F1052-L1055 HydrophobicContact CD1-CD1 3.93Å; F1052-L1055 HydrophobicContact CE1-CD1 4.24Å; F1052-A1056 WeakPolarHBondContact O-CB 3.41Å; F1052-A1056 PolarHBondContact O-N 3.31Å; F1052-Y1150 HydrophobicContact CB-CE2 4.42Å; F1052-Y1150 HydrophobicContact CD1-CD2 4.12Å; F1052-Y1150 AromaticContact CD1-CE2 3.8Å; F1052-Y1150 HydrophobicContact CD1-CE2 3.8Å |
| 1053 | E | 83.3 | Confident | 79 | Confident | 164 Ų | 164 | 73.3 Ų | 73.3 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -73 | -42 | 173.3 | -64.5 | 178.6 | -177 | 0 | 0 | 111.4 | T1051 A1056 A1057 | T1051-E1053 PolarHBondContact O-N 2.85Å; E1053-A1056 WeakPolarHBondContact O-CB 3.41Å; E1053-A1056 PolarHBondContact O-N 2.77Å; E1053-A1057 WeakPolarHBondContact O-CB 3.26Å; E1053-A1057 PolarHBondContact O-N 2.8Å |
| 1054 | E | 85.9 | Confident | 79 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 170.5 | -74.5 | 150.9 | -139.3 | 0 | 0 | 111.8 | P1050 T1051 A1056 A1057 Y1058 | P1050-E1054 WeakPolarHBondContact CA-OE2 3.46Å; P1050-E1054 HydrophobicContact CB-CB 4.39Å; T1051-E1054 VanDerWaalsContact CG2-OE1 3.27Å; T1051-E1054 WeakPolarHBondContact CG2-OE1 3.43Å; T1051-E1054 PolarHBondContact N-OE2 2.73Å; T1051-E1054 PolarHBondContact O-N 3.33Å; T1051-E1054 WeakPolarHBondContact OG1-CB 3.27Å; T1051-E1054 VanDerWaalsContact OG1-CG 3.24Å; T1051-E1054 WeakPolarHBondContact OG1-CG 3.47Å; T1051-E1054 PolarHBondContact OG1-N 2.88Å; T1051-E1054 VanDerWaalsContact OG1-N 3.15Å; T1051-E1054 PolarHBondContact OG1-OE1 2.78Å; E1054-A1056 VanDerWaalsContact C-N 3.33Å; E1054-A1056 PolarHBondContact O-N 3.06Å; E1054-A1057 PolarHBondContact O-N 2.8Å; E1054-Y1058 WeakPolarHBondContact O-CB 3.17Å; E1054-Y1058 PolarHBondContact O-N 2.89Å |
| 1055 | L | 83.6 | Confident | 78.9 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 175 | -72.5 | 172.9 | 0 | 0 | 0 | 111.8 | P1050 T1051 F1052 T1059 Y1150 P1153 | P1050-L1055 HydrophobicContact CB-CD2 4.24Å; P1050-L1055 HydrophobicContact CB-CG 4.22Å; P1050-L1055 HydrophobicContact CG-CD2 3.98Å; P1050-L1055 HydrophobicContact CG-CG 4.3Å; T1051-L1055 WeakPolarHBondContact O-CB 3.48Å; T1051-L1055 VanDerWaalsContact O-CG 3.29Å; T1051-L1055 WeakPolarHBondContact O-CG 3.48Å; T1051-L1055 PolarHBondContact O-N 2.85Å; F1052-L1055 HydrophobicContact CD1-CD1 3.93Å; F1052-L1055 HydrophobicContact CE1-CD1 4.24Å; L1055-T1059 VanDerWaalsContact O-CB 3.22Å; L1055-T1059 WeakPolarHBondContact O-CB 3.18Å; L1055-T1059 PolarHBondContact O-N 3.4Å; L1055-T1059 PolarHBondContact O-OG1 2.76Å; L1055-Y1150 HydrophobicContact CB-CD1 4.19Å; L1055-Y1150 HydrophobicContact CB-CD2 4.27Å; L1055-Y1150 HydrophobicContact CB-CG 3.89Å; L1055-Y1150 HydrophobicContact CD1-CD2 4.49Å; L1055-P1153 HydrophobicContact CD2-CG 3.46Å; L1055-P1153 VanDerWaalsContact CD2-CG 3.46Å |
| 1056 | A | 84.1 | Confident | 78.6 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1052 E1053 E1054 T1059 K1060 Y1150 | F1052-A1056 WeakPolarHBondContact O-CB 3.41Å; F1052-A1056 PolarHBondContact O-N 3.31Å; E1053-A1056 WeakPolarHBondContact O-CB 3.41Å; E1053-A1056 PolarHBondContact O-N 2.77Å; E1054-A1056 VanDerWaalsContact C-N 3.33Å; E1054-A1056 PolarHBondContact O-N 3.06Å; A1056-T1059 PolarHBondContact O-N 2.77Å; A1056-K1060 WeakPolarHBondContact O-CB 3.3Å; A1056-K1060 PolarHBondContact O-N 2.71Å; A1056-Y1150 HydrophobicContact CB-CD1 4.26Å; A1056-Y1150 HydrophobicContact CB-CE1 3.62Å |
| 1057 | A | 86.3 | Confident | 78.1 | Confident | 64 Ų | 64 | 65 Ų | 65 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1053 E1054 K1060 E1061 | E1053-A1057 WeakPolarHBondContact O-CB 3.26Å; E1053-A1057 PolarHBondContact O-N 2.8Å; E1054-A1057 PolarHBondContact O-N 2.8Å; A1057-K1060 PolarHBondContact O-N 2.7Å; A1057-E1061 WeakPolarHBondContact O-CB 3.29Å; A1057-E1061 PolarHBondContact O-N 3.48Å |
| 1058 | Y | 83.1 | Confident | 77.2 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.5 | 169.8 | -100.8 | 0 | 0 | 0 | 112.9 | E1054 F1062 R1151 D1154 | E1054-Y1058 WeakPolarHBondContact O-CB 3.17Å; E1054-Y1058 PolarHBondContact O-N 2.89Å; Y1058-F1062 PolarHBondContact O-N 3.04Å; Y1058-F1062 VanDerWaalsContact O-N 3.07Å; Y1058-R1151 HydrophobicContact CE1-CB 4.43Å; Y1058-R1151 HydrophobicContact CE1-CG 4.43Å; Y1058-R1151 PolarHBondContact OH-NH1 3.15Å; Y1058-D1154 PolarHBondContact OH-N 3.06Å; Y1058-D1154 PolarHBondContact OH-OD1 3.16Å; Y1058-D1154 PolarHBondContact OH-OD2 3.43Å |
| 1059 | T | 83.9 | Confident | 76.1 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -50.9 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | L1055 A1056 E1061 F1062 D1063 R1151 | L1055-T1059 VanDerWaalsContact O-CB 3.22Å; L1055-T1059 WeakPolarHBondContact O-CB 3.18Å; L1055-T1059 PolarHBondContact O-N 3.4Å; L1055-T1059 PolarHBondContact O-OG1 2.76Å; A1056-T1059 PolarHBondContact O-N 2.77Å; T1059-E1061 PolarHBondContact O-N 2.97Å; T1059-F1062 WeakPolarHBondContact O-CB 3.34Å; T1059-F1062 PolarHBondContact O-N 2.96Å; T1059-F1062 VanDerWaalsContact O-N 3.11Å; T1059-D1063 WeakPolarHBondContact CG2-OD2 3.43Å; T1059-D1063 WeakPolarHBondContact O-CB 3.5Å; T1059-D1063 PolarHBondContact O-N 3.31Å; T1059-R1151 HydrophobicContact CG2-CB 4.13Å; T1059-R1151 PolarHBondContact OG1-N 2.97Å |
| 1060 | K | 82.8 | Confident | 74.2 | Confident | 129 Ų | 129 | 68.2 Ų | 68.2 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.7 | -46.5 | 176.5 | -178.6 | 177.3 | 175.3 | -178.1 | 0 | 112.4 | A1056 A1057 F1062 D1063 D1064 | A1056-K1060 WeakPolarHBondContact O-CB 3.3Å; A1056-K1060 PolarHBondContact O-N 2.71Å; A1057-K1060 PolarHBondContact O-N 2.7Å; K1060-F1062 PolarHBondContact O-N 3.31Å; K1060-D1063 PolarHBondContact O-N 3.12Å; K1060-D1063 VanDerWaalsContact O-N 3.15Å; K1060-D1064 WeakPolarHBondContact CE-OD2 3.39Å; K1060-D1064 WeakPolarHBondContact CG-OD2 3.4Å; K1060-D1064 WeakPolarHBondContact O-CB 3.46Å; K1060-D1064 VanDerWaalsContact O-CG 3.27Å; K1060-D1064 PolarHBondContact O-N 3.49Å |
| 1061 | E | 80.1 | Confident | 72 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 49% | 0.486 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.4 | -34.6 | 179 | -162.2 | -143.5 | 177.1 | 0 | 0 | 111.3 | A1057 T1059 R1065 | A1057-E1061 WeakPolarHBondContact O-CB 3.29Å; A1057-E1061 PolarHBondContact O-N 3.48Å; T1059-E1061 PolarHBondContact O-N 2.97Å; E1061-R1065 WeakPolarHBondContact O-CB 3.35Å; E1061-R1065 VanDerWaalsContact O-CG 3.23Å; E1061-R1065 WeakPolarHBondContact O-CG 3.49Å; E1061-R1065 VanDerWaalsContact O-CZ 3.31Å; E1061-R1065 PolarHBondContact O-N 2.92Å; E1061-R1065 PolarHBondContact O-NE 3.48Å; E1061-R1065 PolarHBondContact O-NH2 3.2Å; E1061-R1065 IonicContact OE1-CZ 3.28Å; E1061-R1065 IonicContact OE1-NH1 2.7Å; E1061-R1065 PolarHBondContact OE1-NH1 3.13Å; E1061-R1065 IonicContact OE1-NH2 3.5Å; E1061-R1065 IonicContact OE2-CZ 3.44Å; E1061-R1065 IonicContact OE2-NH1 3.15Å; E1061-R1065 PolarHBondContact OE2-NH1 3.24Å; E1061-R1065 IonicContact OE2-NH2 2.67Å; E1061-R1065 PolarHBondContact OE2-NH2 3.14Å |
| 1062 | F | 75.7 | Confident | 69.5 | Low | 19 Ų | 19 | 74.9 Ų | 74.9 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.3 | -49.1 | 171.6 | -177.6 | -95 | 0 | 0 | 0 | 112 | Y1058 T1059 K1060 R1065 V1066 A1137 V1142 R1151 | Y1058-F1062 PolarHBondContact O-N 3.04Å; Y1058-F1062 VanDerWaalsContact O-N 3.07Å; T1059-F1062 WeakPolarHBondContact O-CB 3.34Å; T1059-F1062 PolarHBondContact O-N 2.96Å; T1059-F1062 VanDerWaalsContact O-N 3.11Å; K1060-F1062 PolarHBondContact O-N 3.31Å; F1062-R1065 WeakPolarHBondContact O-CB 3.35Å; F1062-R1065 PolarHBondContact O-N 3.38Å; F1062-V1066 HydrophobicContact CD1-CG2 4.23Å; F1062-V1066 HydrophobicContact CE1-CG2 3.73Å; F1062-V1066 HydrophobicContact CE2-CG2 4.27Å; F1062-V1066 HydrophobicContact CZ-CG2 3.74Å; F1062-V1066 WeakPolarHBondContact O-CG2 3.15Å; F1062-V1066 PolarHBondContact O-N 2.85Å; F1062-V1066 VanDerWaalsContact O-N 3.07Å; F1062-A1137 HydrophobicContact CE1-CB 3.95Å; F1062-A1137 HydrophobicContact CZ-CB 3.92Å; F1062-V1142 HydrophobicContact CE1-CG2 4.37Å; F1062-R1151 VanDerWaalsContact CE2-NH2 3.3Å |
| 1063 | D | 75.7 | Confident | 67.1 | Low | 24 Ų | 24 | 75.6 Ų | 75.6 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -47 | -176.4 | -66.6 | -15.5 | 0 | 0 | 0 | 111.4 | T1059 K1060 R1065 V1066 I1067 V1142 | T1059-D1063 WeakPolarHBondContact CG2-OD2 3.43Å; T1059-D1063 WeakPolarHBondContact O-CB 3.5Å; T1059-D1063 PolarHBondContact O-N 3.31Å; K1060-D1063 PolarHBondContact O-N 3.12Å; K1060-D1063 VanDerWaalsContact O-N 3.15Å; D1063-R1065 VanDerWaalsContact C-N 3.33Å; D1063-R1065 PolarHBondContact O-N 3.04Å; D1063-V1066 PolarHBondContact O-N 3.1Å; D1063-V1066 VanDerWaalsContact O-N 3.11Å; D1063-I1067 WeakPolarHBondContact O-CG1 3.33Å; D1063-I1067 PolarHBondContact O-N 2.89Å; D1063-V1142 HydrophobicContact CB-CG1 3.53Å |
| 1064 | D | 71.9 | Confident | 64.3 | Low | 66 Ų | 66 | 74.1 Ų | 74.1 | 35% | 0.353 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.4 | -43.9 | 173.5 | -70.4 | -15.2 | 0 | 0 | 0 | 111.3 | K1060 V1066 L1068 | K1060-D1064 WeakPolarHBondContact CE-OD2 3.39Å; K1060-D1064 WeakPolarHBondContact CG-OD2 3.4Å; K1060-D1064 WeakPolarHBondContact O-CB 3.46Å; K1060-D1064 VanDerWaalsContact O-CG 3.27Å; K1060-D1064 PolarHBondContact O-N 3.49Å; D1064-V1066 VanDerWaalsContact C-N 3.3Å; D1064-V1066 PolarHBondContact O-N 3.42Å; D1064-L1068 HydrophobicContact CB-CD1 4.44Å; D1064-L1068 VanDerWaalsContact O-CB 3.29Å; D1064-L1068 WeakPolarHBondContact O-CB 3.29Å; D1064-L1068 WeakPolarHBondContact O-CD1 3.36Å; D1064-L1068 VanDerWaalsContact O-CG 3.25Å; D1064-L1068 WeakPolarHBondContact O-CG 3.47Å; D1064-L1068 PolarHBondContact O-N 3.22Å |
| 1065 | R | 67.9 | Low | 61.5 | Low | 85 Ų | 85 | 78.3 Ų | 78.3 | 32% | 0.321 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.1 | -30.8 | 178 | -81.2 | 178.2 | -64.9 | -145.6 | -5.4 | 113.3 | E1061 F1062 D1063 | E1061-R1065 WeakPolarHBondContact O-CB 3.35Å; E1061-R1065 VanDerWaalsContact O-CG 3.23Å; E1061-R1065 WeakPolarHBondContact O-CG 3.49Å; E1061-R1065 VanDerWaalsContact O-CZ 3.31Å; E1061-R1065 PolarHBondContact O-N 2.92Å; E1061-R1065 PolarHBondContact O-NE 3.48Å; E1061-R1065 PolarHBondContact O-NH2 3.2Å; E1061-R1065 IonicContact OE1-CZ 3.28Å; E1061-R1065 IonicContact OE1-NH1 2.7Å; E1061-R1065 PolarHBondContact OE1-NH1 3.13Å; E1061-R1065 IonicContact OE1-NH2 3.5Å; E1061-R1065 IonicContact OE2-CZ 3.44Å; E1061-R1065 IonicContact OE2-NH1 3.15Å; E1061-R1065 PolarHBondContact OE2-NH1 3.24Å; E1061-R1065 IonicContact OE2-NH2 2.67Å; E1061-R1065 PolarHBondContact OE2-NH2 3.14Å; F1062-R1065 WeakPolarHBondContact O-CB 3.35Å; F1062-R1065 PolarHBondContact O-N 3.38Å; D1063-R1065 VanDerWaalsContact C-N 3.33Å; D1063-R1065 PolarHBondContact O-N 3.04Å |
| 1066 | V | 65.3 | Low | 58.9 | Low | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.012 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -79.9 | -46.7 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | F1062 D1063 D1064 S1070 P1139 V1142 | F1062-V1066 HydrophobicContact CD1-CG2 4.23Å; F1062-V1066 HydrophobicContact CE1-CG2 3.73Å; F1062-V1066 HydrophobicContact CE2-CG2 4.27Å; F1062-V1066 HydrophobicContact CZ-CG2 3.74Å; F1062-V1066 WeakPolarHBondContact O-CG2 3.15Å; F1062-V1066 PolarHBondContact O-N 2.85Å; F1062-V1066 VanDerWaalsContact O-N 3.07Å; D1063-V1066 PolarHBondContact O-N 3.1Å; D1063-V1066 VanDerWaalsContact O-N 3.11Å; D1064-V1066 VanDerWaalsContact C-N 3.3Å; D1064-V1066 PolarHBondContact O-N 3.42Å; V1066-S1070 WeakPolarHBondContact O-CB 3.07Å; V1066-S1070 PolarHBondContact O-N 3.28Å; V1066-S1070 PolarHBondContact O-OG 2.84Å; V1066-P1139 HydrophobicContact CG1-CB 3.86Å; V1066-P1139 HydrophobicContact CG1-CG 3.79Å; V1066-V1142 HydrophobicContact CB-CG2 4.14Å; V1066-V1142 HydrophobicContact CG1-CG2 4Å; V1066-V1142 HydrophobicContact CG2-CG2 4.49Å |
| 1067 | I | 64.1 | Low | 56.3 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -53.2 | -179.7 | -67 | 164.9 | 0 | 0 | 0 | 110.8 | D1063 K1069 V1142 | D1063-I1067 WeakPolarHBondContact O-CG1 3.33Å; D1063-I1067 PolarHBondContact O-N 2.89Å; I1067-K1069 PolarHBondContact O-N 3.25Å; I1067-V1142 HydrophobicContact CD1-CG1 3.89Å; I1067-V1142 HydrophobicContact CG1-CG1 4.06Å |
| 1068 | L | 53.6 | Low | 53.5 | Low | 138 Ų | 138 | 94.2 Ų | 94.2 | 72% | 0.723 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -3.9 | -170.1 | -67.2 | 170.3 | 0 | 0 | 0 | 115.5 | D1064 | D1064-L1068 HydrophobicContact CB-CD1 4.44Å; D1064-L1068 VanDerWaalsContact O-CB 3.29Å; D1064-L1068 WeakPolarHBondContact O-CB 3.29Å; D1064-L1068 WeakPolarHBondContact O-CD1 3.36Å; D1064-L1068 VanDerWaalsContact O-CG 3.25Å; D1064-L1068 WeakPolarHBondContact O-CG 3.47Å; D1064-L1068 PolarHBondContact O-N 3.22Å |
| 1069 | K | 48.1 | Very low | 51.2 | Low | 164 Ų | 164 | 101 Ų | 101 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.6 | 1.8 | -176.8 | -69.4 | -172.1 | 177.8 | 170.5 | 0 | 116.3 | I1067 I1132 | I1067-K1069 PolarHBondContact O-N 3.25Å; K1069-I1132 HydrophobicContact CD-CD1 4.39Å |
| 1070 | S | 41.7 | Very low | 48.8 | Very low | 41 Ų | 41 | 108.3 Ų | 108.3 | 29% | 0.287 | 56% | 0.556 | S | S | . | * | trans | -95.1 | 12.7 | -176.4 | 60.4 | 0 | 0 | 0 | 0 | 115.6 | V1066 P1072 | V1066-S1070 WeakPolarHBondContact O-CB 3.07Å; V1066-S1070 PolarHBondContact O-N 3.28Å; V1066-S1070 PolarHBondContact O-OG 2.84Å; S1070-P1072 VanDerWaalsContact C-CD 3.48Å; S1070-P1072 VanDerWaalsContact O-CD 3.27Å; S1070-P1072 WeakPolarHBondContact O-CD 3.47Å | ||
| 1071 | I | 32.5 | Very low | 46.2 | Very low | 109 Ų | 109 | 109.3 Ų | 109.3 | 56% | 0.559 | 57% | 0.567 | S | S | * | * | trans | -113.5 | 82.9 | 177.1 | -49.4 | 179.9 | 0 | 0 | 0 | 111.6 | M1074 | I1071-M1074 HydrophobicContact CG2-CB 3.43Å; I1071-M1074 VanDerWaalsContact CG2-CB 3.43Å | ||
| 1072 | P | 30.4 | Very low | 43.9 | Very low | 121 Ų | 121 | 112 Ų | 112 | 79% | 0.786 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -84.9 | 120.9 | 158.6 | 3.8 | 14.9 | 0 | 0 | 0 | 109.9 | S1070 | S1070-P1072 VanDerWaalsContact C-CD 3.48Å; S1070-P1072 VanDerWaalsContact O-CD 3.27Å; S1070-P1072 WeakPolarHBondContact O-CD 3.47Å |
| 1073 | G | 28.6 | Very low | 42 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 83.9 | 14.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y1075 | G1073-Y1075 PolarHBondContact O-N 3.12Š|
| 1074 | M | 24.3 | Very low | 39.8 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 66% | 0.655 | 66% | 0.658 | S | S | * | * | trans | -83.2 | 101.2 | 166.5 | -160.2 | 170.1 | 85.6 | 0 | 0 | 108.8 | I1071 | I1071-M1074 HydrophobicContact CG2-CB 3.43Å; I1071-M1074 VanDerWaalsContact CG2-CB 3.43Å | ||
| 1075 | Y | 28 | Very low | 37.9 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 75% | 0.745 | 68% | 0.679 | S | S | * | * | trans | -69.7 | 145.1 | 162.7 | -70.6 | -101.2 | 0 | 0 | 0 | 108.3 | G1073 D1077 | G1073-Y1075 PolarHBondContact O-N 3.12Å; Y1075-D1077 VanDerWaalsContact CB-OD1 3.31Å; Y1075-D1077 WeakPolarHBondContact CB-OD1 3.49Å; Y1075-D1077 PolarHBondContact O-N 2.9Å | ||
| 1076 | L | 28.1 | Very low | 36.2 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | trans | -88.9 | 85.7 | 165.8 | -68.7 | 169.7 | 0 | 0 | 0 | 106.2 | D1078 | L1076-D1078 PolarHBondContact O-N 3.17Š| ||
| 1077 | D | 29.8 | Very low | 34.6 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -77.1 | 95.9 | 175.6 | -67.4 | -12.8 | 0 | 0 | 0 | 108.6 | Y1075 | Y1075-D1077 VanDerWaalsContact CB-OD1 3.31Å; Y1075-D1077 WeakPolarHBondContact CB-OD1 3.49Å; Y1075-D1077 PolarHBondContact O-N 2.9Å | ||
| 1078 | D | 28.8 | Very low | 33.2 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 36.3 | 87.6 | 151.6 | -50.7 | -25.4 | 0 | 0 | 0 | 118.5 | L1076 | L1076-D1078 PolarHBondContact O-N 3.17Š| ||
| 1079 | E | 34 | Very low | 32.2 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -97.8 | 40.1 | 166.2 | -80.2 | -92.7 | -173.9 | 0 | 0 | 111.6 | ||||
| 1080 | D | 32.5 | Very low | 31.8 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -114 | 8.6 | -176 | -115.3 | -16.7 | 0 | 0 | 0 | 113.6 | ||||
| 1081 | D | 30.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -130.5 | 141 | 176.1 | -113.5 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 1082 | L | 31.8 | Very low | 31.3 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 90.4 | 30.7 | 180 | -53.8 | 173 | 0 | 0 | 0 | 119.8 | ||
| 1083 | N | 35 | Very low | 31.7 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -137.4 | 60 | 154.1 | -86.8 | -60.9 | 0 | 0 | 0 | 112.7 | ||||
| 1084 | K | 28.4 | Very low | 31.8 | Very low | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -137.1 | 127.8 | 162.7 | -99.8 | -178.6 | 177.9 | 167.9 | 0 | 109.9 | ||||
| 1085 | D | 33.6 | Very low | 32.4 | Very low | 149 Ų | 149 | 156.8 Ų | 156.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 143.6 | 137.2 | 144.7 | -75.8 | -4 | 0 | 0 | 0 | 111.2 | ||||
| 1086 | S | 32.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | 60.2 | 105.3 | -177.6 | 50 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1087 | D | 30.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | cis | 83.1 | 158.8 | 42.3 | -54.4 | -53.7 | 0 | 0 | 0 | 114.4 | ||||
| 1088 | D | 35 | Very low | 32.6 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | trans | 78.5 | 103.3 | 170.7 | -56.2 | -17.2 | 0 | 0 | 0 | 119.2 | ||||
| 1089 | D | 33.2 | Very low | 32.9 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | 51.3 | 115.3 | 134.6 | -58.9 | -18 | 0 | 0 | 0 | 121.7 | ||||
| 1090 | D | 39 | Very low | 32.9 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | -157.2 | 147.8 | 91.4 | -103.4 | -30.3 | 0 | 0 | 0 | 110.7 | |||||
| 1091 | N | 29.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 152 Ų | 152 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -102.1 | 160.9 | 176.5 | -61.9 | -95.5 | 0 | 0 | 0 | 110.6 | ||||
| 1092 | D | 34.2 | Very low | 33 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | 148.4 | 171.5 | 136.3 | -75.7 | -9.2 | 0 | 0 | 0 | 112.3 | ||||
| 1093 | D | 39.2 | Very low | 33 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | 72.5 | 82.8 | -177.1 | -67.8 | -17.3 | 0 | 0 | 0 | 116.4 | ||||
| 1094 | D | 30.7 | Very low | 32.7 | Very low | 160 Ų | 160 | 153 Ų | 153 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -61.3 | 151 | 163.3 | -46.6 | -95.2 | 0 | 0 | 0 | 113.1 | ||||
| 1095 | D | 36.7 | Very low | 32.9 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -156 | 136.2 | 144.6 | -123.4 | -22.4 | 0 | 0 | 0 | 110.6 | ||||
| 1096 | E | 27.4 | Very low | 32.7 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 153.2 | -171.4 | -59.8 | 172.4 | 120.5 | 0 | 0 | 113.5 | ||||
| 1097 | V | 34.3 | Very low | 32.5 | Very low | 140 Ų | 140 | 153 Ų | 153 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | -176.4 | 129.3 | 123.9 | 145.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1098 | D | 27.9 | Very low | 32.3 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -63.3 | 149.5 | 176.7 | -52.2 | -81.2 | 0 | 0 | 0 | 113.6 | ||||
| 1099 | T | 35.4 | Very low | 31.9 | Very low | 134 Ų | 134 | 155.3 Ų | 155.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | -168 | 117.2 | 122 | 11.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1100 | V | 33.8 | Very low | 31.6 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | trans | 67.8 | 102.9 | 154 | -171 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1101 | D | 29.4 | Very low | 31 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -63.1 | 139.9 | 152.9 | -38.3 | -103.7 | 0 | 0 | 0 | 111.3 | ||||
| 1102 | E | 35.9 | Very low | 30.8 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -173.9 | 128.4 | 130.2 | -109.6 | -179.1 | -170.9 | 0 | 0 | 112.7 | ||||
| 1103 | F | 31.2 | Very low | 30.5 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | 62.9 | 92.2 | 164.7 | -67.4 | -76.4 | 0 | 0 | 0 | 120.7 | ||||
| 1104 | D | 28.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -57.4 | 177.4 | 132.8 | -82.8 | -54.3 | 0 | 0 | 0 | 112.5 | ||||
| 1105 | D | 33.1 | Very low | 29.7 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | 63.3 | 92.9 | 171.6 | -73.2 | -24 | 0 | 0 | 0 | 117.2 | ||||
| 1106 | L | 28.8 | Very low | 29.2 | Very low | 161 Ų | 161 | 149 Ų | 149 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | -155.4 | 107.8 | 115 | -110.1 | 165.7 | 0 | 0 | 0 | 111.7 | |||||
| 1107 | I | 28 | Very low | 29.2 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | -56.2 | 137.9 | 166.6 | -69.1 | 168.1 | 0 | 0 | 0 | 108.9 | D1109 | I1107-D1109 VanDerWaalsContact C-N 3.3Å; I1107-D1109 PolarHBondContact O-N 2.96Å | ||
| 1108 | F | 27.3 | Very low | 28.8 | Very low | 209 Ų | 209 | 148 Ų | 148 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 87.7 | 170.8 | -91.8 | -95.8 | 0 | 0 | 0 | 110.1 | A1110 | F1108-A1110 PolarHBondContact O-N 3.12Š| ||
| 1109 | D | 26.4 | Very low | 28.9 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -56.3 | 123.2 | 169.5 | -115.1 | -26.4 | 0 | 0 | 0 | 109.6 | I1107 D1111 | I1107-D1109 VanDerWaalsContact C-N 3.3Å; I1107-D1109 PolarHBondContact O-N 2.96Å; D1109-D1111 PolarHBondContact O-N 3.36Å | ||
| 1110 | A | 26.8 | Very low | 28.5 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -80.3 | 29.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1108 | F1108-A1110 PolarHBondContact O-N 3.12Š|
| 1111 | D | 25.9 | Very low | 28.2 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -139.4 | 85.7 | 177.4 | -109.5 | -38.4 | 0 | 0 | 0 | 110.6 | D1109 | D1109-D1111 PolarHBondContact O-N 3.36Š| ||
| 1112 | S | 27 | Very low | 28.2 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -149.8 | 141.2 | 169.5 | -87.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1113 | V | 27.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 68.7 | 54.3 | -175.8 | -156.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1114 | L | 25.7 | Very low | 27.5 | Very low | 166 Ų | 166 | 150 Ų | 150 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | -85.7 | 97.9 | 128 | -82.2 | 177.3 | 0 | 0 | 0 | 108.5 | |||||
| 1115 | L | 26.6 | Very low | 27.5 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -170 | 159.5 | 160.1 | -110.2 | 171.8 | 0 | 0 | 0 | 112.4 | ||||
| 1116 | L | 27.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | 77.8 | 102.2 | 171.1 | -61.6 | 167.5 | 0 | 0 | 0 | 119.1 | ||||
| 1117 | D | 27 | Very low | 27.4 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | 78.8 | 79.4 | 127.1 | -60.4 | -0.3 | 0 | 0 | 0 | 121.4 | S1119 | D1117-S1119 PolarHBondContact O-N 3.28Š| |||
| 1118 | N | 25.5 | Very low | 27.5 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | 8.5 | 106.4 | 124.1 | -71.8 | -35.2 | 0 | 0 | 0 | 117.6 | |||||
| 1119 | S | 30.4 | Very low | 27.6 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -145.2 | 99.6 | 148.2 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | D1117 | D1117-S1119 PolarHBondContact O-N 3.28Š| ||
| 1120 | N | 27.9 | Very low | 27.9 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | 32.6 | 118.4 | 157.9 | -58.9 | -10.8 | 0 | 0 | 0 | 120.5 | ||||
| 1121 | D | 26.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 25.7 | 101.9 | 136.5 | -68.5 | -25.7 | 0 | 0 | 0 | 118.4 | ||||
| 1122 | F | 28.8 | Very low | 29.1 | Very low | 209 Ų | 209 | 153.4 Ų | 153.4 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | -138.8 | 146.9 | 128.2 | -115.4 | -79.7 | 0 | 0 | 0 | 111.5 | |||||
| 1123 | Q | 26.8 | Very low | 30 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -69.4 | 147 | -158.1 | -67.5 | 171.8 | -18.6 | 0 | 0 | 114.4 | N1125 | Q1123-N1125 VanDerWaalsContact C-N 3.28Å; Q1123-N1125 PolarHBondContact O-N 2.89Å | ||
| 1124 | I | 26 | Very low | 31 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 82% | 0.821 | 74% | 0.739 | S | S | * | * | trans | -67 | 83.1 | 174.5 | -53.3 | 171 | 0 | 0 | 0 | 109.9 | N1126 | I1124-N1126 PolarHBondContact O-N 3.45Š| ||
| 1125 | N | 28.3 | Very low | 32.3 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | -73.2 | 111.1 | 154.3 | -93.1 | -50.2 | 0 | 0 | 0 | 107.3 | Q1123 T1127 | Q1123-N1125 VanDerWaalsContact C-N 3.28Å; Q1123-N1125 PolarHBondContact O-N 2.89Å; N1125-T1127 PolarHBondContact O-N 3.04Å | ||
| 1126 | N | 27.9 | Very low | 33.6 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | trans | -50.7 | 101.3 | 174.3 | -84.5 | -33.6 | 0 | 0 | 0 | 110 | I1124 R1128 | I1124-N1126 PolarHBondContact O-N 3.45Å; N1126-R1128 PolarHBondContact O-N 3.03Å | ||
| 1127 | T | 31.9 | Very low | 35 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 63% | 0.628 | S | S | * | * | trans | -69.1 | 103.2 | -176.4 | 35.2 | 0 | 0 | 0 | 0 | 108.3 | N1125 R1129 | N1125-T1127 PolarHBondContact O-N 3.04Å; T1127-R1129 PolarHBondContact O-N 3.35Å | ||
| 1128 | R | 30 | Very low | 36.4 | Very low | 203 Ų | 203 | 122.3 Ų | 122.3 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | trans | -40.3 | 115.5 | 176 | -68.9 | -176.4 | 178.3 | -165.4 | 0.5 | 108.8 | N1126 K1130 D1618 | N1126-R1128 PolarHBondContact O-N 3.03Å; R1128-K1130 VanDerWaalsContact C-N 3.27Å; R1128-K1130 PolarHBondContact O-N 3.19Å; R1128-D1618 IonicContact NH1-OD1 2.9Å | ||
| 1129 | R | 29.8 | Very low | 38 | Very low | 246 Ų | 246 | 116.7 Ų | 116.7 | 93% | 0.928 | 57% | 0.573 | S | S | * | * | trans | -60.5 | 91.7 | 174.1 | -77.9 | -178.1 | 171 | -177.6 | -3.3 | 107.7 | T1127 Q1131 | T1127-R1129 PolarHBondContact O-N 3.35Å; R1129-Q1131 PolarHBondContact O-N 3.11Å | ||
| 1130 | K | 33.2 | Very low | 39.4 | Very low | 193 Ų | 193 | 119.5 Ų | 119.5 | 84% | 0.839 | 57% | 0.571 | S | S | * | * | trans | -59.7 | 107.4 | 175.8 | -79.7 | -173.1 | 175 | -179.1 | 0 | 107.7 | R1128 I1132 | R1128-K1130 VanDerWaalsContact C-N 3.27Å; R1128-K1130 PolarHBondContact O-N 3.19Å; K1130-I1132 PolarHBondContact O-N 3.12Å; K1130-I1132 VanDerWaalsContact O-N 3.15Å | ||
| 1131 | Q | 36.4 | Very low | 40.9 | Very low | 127 Ų | 127 | 112.9 Ų | 112.9 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | trans | -64.2 | 114.8 | 174.8 | -163.5 | 161.8 | -4.5 | 0 | 0 | 107 | R1129 K1133 | R1129-Q1131 PolarHBondContact O-N 3.11Å; Q1131-K1133 PolarHBondContact O-N 3.44Å | ||
| 1132 | I | 41 | Very low | 42.7 | Very low | 73 Ų | 73 | 106.2 Ų | 106.2 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | trans | -70.8 | 134.7 | -171.3 | -63.6 | 177.5 | 0 | 0 | 0 | 108.3 | K1069 K1130 I1134 | K1069-I1132 HydrophobicContact CD-CD1 4.39Å; K1130-I1132 PolarHBondContact O-N 3.12Å; K1130-I1132 VanDerWaalsContact O-N 3.15Å; I1132-I1134 PolarHBondContact O-N 2.83Å | ||
| 1133 | K | 46 | Very low | 44.2 | Very low | 102 Ų | 102 | 102.7 Ų | 102.7 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | trans | -72.2 | 75.5 | 174.8 | -62.2 | -163.9 | 172.9 | -168.5 | 0 | 110.6 | Q1131 G1135 Y1221 D1617 | Q1131-K1133 PolarHBondContact O-N 3.44Å; K1133-G1135 VanDerWaalsContact C-N 3.29Å; K1133-G1135 PolarHBondContact O-N 3.36Å; K1133-Y1221 HydrophobicContact CB-CE1 4.47Å; K1133-Y1221 HydrophobicContact CB-CE2 4.39Å; K1133-Y1221 HydrophobicContact CD-CD1 4.36Å; K1133-Y1221 HydrophobicContact CD-CE1 3.76Å; K1133-Y1221 HydrophobicContact CG-CE1 3.91Å; K1133-Y1221 HydrophobicContact CG-CE2 4.26Å; K1133-D1617 VanDerWaalsContact CE-CG 3.47Å; K1133-D1617 WeakPolarHBondContact CE-OD1 3.37Å; K1133-D1617 VanDerWaalsContact CE-OD2 3.26Å; K1133-D1617 WeakPolarHBondContact CE-OD2 3.26Å; K1133-D1617 IonicContact NZ-OD1 2.87Å; K1133-D1617 PolarHBondContact NZ-OD1 3.36Å; K1133-D1617 IonicContact NZ-OD2 2.72Å; K1133-D1617 PolarHBondContact NZ-OD2 2.88Å | ||
| 1134 | I | 47.6 | Very low | 45.9 | Very low | 53 Ų | 53 | 97.8 Ų | 97.8 | 27% | 0.272 | 47% | 0.472 | S | S | . | . | trans | -64.4 | 97.4 | 161.9 | -55.3 | 175.8 | 0 | 0 | 0 | 105.7 | I1132 | I1132-I1134 PolarHBondContact O-N 2.83Š| ||
| 1135 | G | 52.8 | Low | 48.1 | Very low | 3 Ų | 3 | 92 Ų | 92 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | trans | -68.6 | -169.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1133 A1137 H1195 | K1133-G1135 VanDerWaalsContact C-N 3.29Å; K1133-G1135 PolarHBondContact O-N 3.36Å; G1135-A1137 PolarHBondContact O-N 3.1Å; G1135-H1195 PolarHBondContact O-NE2 2.88Å | ||
| 1136 | M | 54.6 | Low | 50.1 | Low | 1 Ų | 1 | 89.9 Ų | 89.9 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -55 | 9.2 | -178.2 | -73.9 | 176.5 | 51 | 0 | 0 | 117.9 | F915 I916 M954 P1138 G1193 Y1221 P1223 P1230 | F915-M1136 HydrophobicContact CZ-CE 4.46Å; I916-M1136 HydrophobicContact CD1-CE 4.24Å; M954-M1136 HydrophobicContact CE-CB 3.98Å; M954-M1136 HydrophobicContact CE-CE 3.77Å; M954-M1136 WeakPolarHBondContact CE-O 3.49Å; M954-M1136 HydrophobicContact SD-CB 3.91Å; M954-M1136 HydrophobicContact SD-CE 3.71Å; M954-M1136 VanDerWaalsContact SD-O 3.37Å; M1136-P1138 WeakPolarHBondContact O-CD 3.28Å; M1136-G1193 VanDerWaalsContact O-O 3.1Å; M1136-Y1221 WeakPolarHBondContact CG-O 3.42Å; M1136-P1223 HydrophobicContact SD-CG 4.12Å; M1136-P1230 HydrophobicContact CE-CB 4.02Å; M1136-P1230 HydrophobicContact CE-CG 3.69Å; M1136-P1230 HydrophobicContact SD-CG 4.29Å |
| 1137 | A | 56.8 | Low | 52.3 | Low | 3 Ų | 3 | 93.6 Ų | 93.6 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | trans | -100.6 | 96.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1062 G1135 L1141 | F1062-A1137 HydrophobicContact CE1-CB 3.95Å; F1062-A1137 HydrophobicContact CZ-CB 3.92Å; G1135-A1137 PolarHBondContact O-N 3.1Å; A1137-L1141 HydrophobicContact CB-CD1 4.44Å | ||
| 1138 | P | 56.8 | Low | 54.1 | Low | 19 Ų | 19 | 89.5 Ų | 89.5 | 12% | 0.123 | 41% | 0.414 | C | S | . | . | trans | -68.2 | 159.5 | 176.6 | 30.7 | -39.3 | 0 | 0 | 0 | 112 | M1136 K1140 L1141 | M1136-P1138 WeakPolarHBondContact O-CD 3.28Å; P1138-K1140 PolarHBondContact O-N 3.32Å; P1138-L1141 HydrophobicContact CG-CD1 4.41Å; P1138-L1141 HydrophobicContact CG-CG 4.17Å; P1138-L1141 PolarHBondContact O-N 3.28Å | ||
| 1139 | P | 58.2 | Low | 56.4 | Low | 51 Ų | 51 | 80.6 Ų | 80.6 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -52.7 | -30.7 | -177.3 | -27.2 | 33.4 | 0 | 0 | 0 | 115.3 | V1066 L1141 V1142 L1143 | V1066-P1139 HydrophobicContact CG1-CB 3.86Å; V1066-P1139 HydrophobicContact CG1-CG 3.79Å; P1139-L1141 VanDerWaalsContact C-N 3.27Å; P1139-L1141 PolarHBondContact O-N 3.4Å; P1139-V1142 WeakPolarHBondContact O-CB 3.33Å; P1139-V1142 PolarHBondContact O-N 2.86Å; P1139-V1142 VanDerWaalsContact O-N 3.12Å; P1139-L1143 PolarHBondContact O-N 3.36Å |
| 1140 | K | 60.4 | Low | 59 | Low | 167 Ų | 167 | 71.8 Ų | 71.8 | 73% | 0.726 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.7 | -25.2 | 177.4 | -65.7 | -163.7 | 175.4 | -165 | 0 | 114.1 | P1138 V1144 | P1138-K1140 PolarHBondContact O-N 3.32Å; K1140-V1144 WeakPolarHBondContact O-CG2 3.24Å |
| 1141 | L | 59.6 | Low | 61.5 | Low | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.7 | -26.9 | 173.9 | -68 | -175.3 | 0 | 0 | 0 | 112.7 | L947 M954 A1137 P1138 P1139 | L947-L1141 HydrophobicContact CD1-CD2 4.25Å; L947-L1141 HydrophobicContact CD2-CD2 3.68Å; M954-L1141 HydrophobicContact CB-CD1 4.49Å; M954-L1141 HydrophobicContact CG-CD1 4.22Å; M954-L1141 WeakPolarHBondContact O-CD1 3.41Å; M954-L1141 VanDerWaalsContact O-CD2 3.32Å; M954-L1141 WeakPolarHBondContact O-CD2 3.38Å; A1137-L1141 HydrophobicContact CB-CD1 4.44Å; P1138-L1141 HydrophobicContact CG-CD1 4.41Å; P1138-L1141 HydrophobicContact CG-CG 4.17Å; P1138-L1141 PolarHBondContact O-N 3.28Å; P1139-L1141 VanDerWaalsContact C-N 3.27Å; P1139-L1141 PolarHBondContact O-N 3.4Å |
| 1142 | V | 63.6 | Low | 63.9 | Low | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.2 | -47.3 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | F1062 D1063 V1066 I1067 P1139 V1144 R1145 | F1062-V1142 HydrophobicContact CE1-CG2 4.37Å; D1063-V1142 HydrophobicContact CB-CG1 3.53Å; V1066-V1142 HydrophobicContact CB-CG2 4.14Å; V1066-V1142 HydrophobicContact CG1-CG2 4Å; V1066-V1142 HydrophobicContact CG2-CG2 4.49Å; I1067-V1142 HydrophobicContact CD1-CG1 3.89Å; I1067-V1142 HydrophobicContact CG1-CG1 4.06Å; P1139-V1142 WeakPolarHBondContact O-CB 3.33Å; P1139-V1142 PolarHBondContact O-N 2.86Å; P1139-V1142 VanDerWaalsContact O-N 3.12Å; V1142-V1144 PolarHBondContact O-N 2.82Å; V1142-R1145 PolarHBondContact O-N 2.83Å |
| 1143 | L | 61.6 | Low | 66 | Low | 134 Ų | 134 | 54.2 Ų | 54.2 | 70% | 0.702 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.6 | -17.8 | -177.5 | -63.5 | 171.1 | 0 | 0 | 0 | 115 | P1139 | P1139-L1143 PolarHBondContact O-N 3.36Å |
| 1144 | V | 62.1 | Low | 67.4 | Low | 67 Ų | 67 | 54.1 Ų | 54.1 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -0.2 | -173.8 | -179 | 0 | 0 | 0 | 0 | 112.4 | Q945 K1140 V1142 R1146 | Q945-V1144 HydrophobicContact CG-CG1 4.45Å; K1140-V1144 WeakPolarHBondContact O-CG2 3.24Å; V1142-V1144 PolarHBondContact O-N 2.82Å; V1144-R1146 PolarHBondContact O-N 3.1Å |
| 1145 | R | 71.7 | Confident | 68.8 | Low | 39 Ų | 39 | 55.8 Ų | 55.8 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | trans | -71.9 | 123.6 | 179.2 | -176.3 | 175.4 | -70.1 | -75.9 | -2.3 | 110.7 | D956 V1142 D1149 Y1150 | D956-R1145 PolarHBondContact O-NH1 3.22Å; D956-R1145 VanDerWaalsContact O-NH1 3.16Å; D956-R1145 PolarHBondContact O-NH2 2.9Å; V1142-R1145 PolarHBondContact O-N 2.83Å; R1145-D1149 WeakPolarHBondContact CD-O 3.47Å; R1145-D1149 HydrophobicContact CG-CB 4.12Å; R1145-D1149 WeakPolarHBondContact CG-O 3.38Å; R1145-D1149 PolarHBondContact NH1-O 2.95Å; R1145-Y1150 VanDerWaalsContact NH1-C 3.27Å; R1145-Y1150 PolarHBondContact NH1-O 2.72Å | ||
| 1146 | R | 71.2 | Confident | 70.2 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 37% | 0.366 | 28% | 0.284 | S | S | . | . | trans | -75.9 | 153.2 | -179.4 | -53.8 | 171.8 | -60.7 | -158.8 | 0.3 | 110.9 | Q943 T944 V1144 G1148 D1149 | Q943-R1146 PolarHBondContact O-NH2 3.43Å; T944-R1146 VanDerWaalsContact C-NH2 3.35Å; T944-R1146 PolarHBondContact O-NH1 3.43Å; V1144-R1146 PolarHBondContact O-N 3.1Å; R1146-G1148 PolarHBondContact O-N 3.09Å; R1146-D1149 WeakPolarHBondContact CB-OD2 3.21Å; R1146-D1149 IonicContact CZ-OD1 3.4Å; R1146-D1149 IonicContact CZ-OD2 2.76Å; R1146-D1149 IonicContact NE-OD1 3.48Å; R1146-D1149 IonicContact NE-OD2 3.66Å; R1146-D1149 PolarHBondContact NE-OD2 3.33Å; R1146-D1149 IonicContact NH2-OD1 3.5Å; R1146-D1149 PolarHBondContact NH2-OD1 2.94Å; R1146-D1149 VanDerWaalsContact NH2-OD1 3.1Å; R1146-D1149 IonicContact NH2-OD2 2.7Å; R1146-D1149 PolarHBondContact NH2-OD2 2.9Å; R1146-D1149 WeakPolarHBondContact O-CB 3.29Å; R1146-D1149 PolarHBondContact O-N 3.01Å | ||
| 1147 | K | 72.2 | Confident | 71.3 | Confident | 226 Ų | 226 | 57.2 Ų | 57.2 | 98% | 0.983 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 106.2 | 176.6 | -172.7 | 174.9 | -177.6 | 176.1 | 0 | 110.7 | ||
| 1148 | G | 70.8 | Confident | 72 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.7 | -10.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1146 Y1150 | R1146-G1148 PolarHBondContact O-N 3.09Å; G1148-Y1150 WeakPolarHBondContact O-CD2 3.49Å; G1148-Y1150 WeakPolarHBondContact O-CE2 3.39Å; G1148-Y1150 PolarHBondContact O-N 2.71Å |
| 1149 | D | 78 | Confident | 72.7 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | trans | -85.3 | 93.7 | 176.1 | -77.1 | -24 | 0 | 0 | 0 | 110.9 | V957 L959 R1145 R1146 | V957-D1149 HydrophobicContact CG2-CB 3.62Å; L959-D1149 WeakPolarHBondContact CD2-OD1 3.44Å; R1145-D1149 WeakPolarHBondContact CD-O 3.47Å; R1145-D1149 HydrophobicContact CG-CB 4.12Å; R1145-D1149 WeakPolarHBondContact CG-O 3.38Å; R1145-D1149 PolarHBondContact NH1-O 2.95Å; R1146-D1149 WeakPolarHBondContact CB-OD2 3.21Å; R1146-D1149 IonicContact CZ-OD1 3.4Å; R1146-D1149 IonicContact CZ-OD2 2.76Å; R1146-D1149 IonicContact NE-OD1 3.48Å; R1146-D1149 IonicContact NE-OD2 3.66Å; R1146-D1149 PolarHBondContact NE-OD2 3.33Å; R1146-D1149 IonicContact NH2-OD1 3.5Å; R1146-D1149 PolarHBondContact NH2-OD1 2.94Å; R1146-D1149 VanDerWaalsContact NH2-OD1 3.1Å; R1146-D1149 IonicContact NH2-OD2 2.7Å; R1146-D1149 PolarHBondContact NH2-OD2 2.9Å; R1146-D1149 WeakPolarHBondContact O-CB 3.29Å; R1146-D1149 PolarHBondContact O-N 3.01Å | ||
| 1150 | Y | 85.6 | Confident | 73.5 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 155.9 | -175.3 | -54 | -64.5 | 0 | 0 | 0 | 114.3 | V957 V958 F1052 L1055 A1056 R1145 G1148 | V957-Y1150 CarbonylContact C-O 3.53Å; V957-Y1150 WeakPolarHBondContact CA-O 3.41Å; V958-Y1150 PolarHBondContact N-O 3.14Å; F1052-Y1150 HydrophobicContact CB-CE2 4.42Å; F1052-Y1150 HydrophobicContact CD1-CD2 4.12Å; F1052-Y1150 AromaticContact CD1-CE2 3.8Å; F1052-Y1150 HydrophobicContact CD1-CE2 3.8Å; L1055-Y1150 HydrophobicContact CB-CD1 4.19Å; L1055-Y1150 HydrophobicContact CB-CD2 4.27Å; L1055-Y1150 HydrophobicContact CB-CG 3.89Å; L1055-Y1150 HydrophobicContact CD1-CD2 4.49Å; A1056-Y1150 HydrophobicContact CB-CD1 4.26Å; A1056-Y1150 HydrophobicContact CB-CE1 3.62Å; R1145-Y1150 VanDerWaalsContact NH1-C 3.27Å; R1145-Y1150 PolarHBondContact NH1-O 2.72Å; G1148-Y1150 WeakPolarHBondContact O-CD2 3.49Å; G1148-Y1150 WeakPolarHBondContact O-CE2 3.39Å; G1148-Y1150 PolarHBondContact O-N 2.71Å |
| 1151 | R | 85.4 | Confident | 74.4 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 146.6 | 175.3 | -173.4 | -175.6 | -174.5 | -88.1 | 10.4 | 111.6 | D956 Y1058 T1059 F1062 P1153 D1154 R1157 | D956-R1151 IonicContact OD2-NE 2.69Å; Y1058-R1151 HydrophobicContact CE1-CB 4.43Å; Y1058-R1151 HydrophobicContact CE1-CG 4.43Å; Y1058-R1151 PolarHBondContact OH-NH1 3.15Å; T1059-R1151 HydrophobicContact CG2-CB 4.13Å; T1059-R1151 PolarHBondContact OG1-N 2.97Å; F1062-R1151 VanDerWaalsContact CE2-NH2 3.3Å; R1151-P1153 WeakPolarHBondContact O-CD 3.35Å; R1151-D1154 IonicContact NH1-OD1 3.27Å; R1151-D1154 PolarHBondContact NH1-OD1 3.18Å; R1151-R1157 VanDerWaalsContact CZ-CZ 3.49Å |
| 1152 | I | 87 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 125.1 | 176.7 | -60.4 | 174.2 | 0 | 0 | 0 | 110.3 | Y913 F915 D956 V958 I1156 R1157 | Y913-I1152 HydrophobicContact CD1-CG2 4.45Å; F915-I1152 HydrophobicContact CB-CD1 3.81Å; F915-I1152 HydrophobicContact CD2-CD1 4.15Å; F915-I1152 HydrophobicContact CG-CD1 4.38Å; D956-I1152 WeakPolarHBondContact OD1-CB 3.38Å; D956-I1152 PolarHBondContact OD1-N 3.11Å; V958-I1152 HydrophobicContact CG2-CB 4.44Å; V958-I1152 HydrophobicContact CG2-CG1 3.96Å; I1152-I1156 HydrophobicContact CG2-CB 4.02Å; I1152-I1156 HydrophobicContact CG2-CG2 3.81Å; I1152-R1157 HydrophobicContact CG2-CG 4.16Å; I1152-R1157 WeakPolarHBondContact O-CD 3.48Å; I1152-R1157 PolarHBondContact O-NH1 2.8Å |
| 1153 | P | 83.5 | Confident | 76.7 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 146.9 | -179.7 | -26.1 | 36.7 | 0 | 0 | 0 | 114.6 | P1050 L1055 R1151 N1155 I1156 R1157 | P1050-P1153 HydrophobicContact CG-CG 4.21Å; L1055-P1153 HydrophobicContact CD2-CG 3.46Å; L1055-P1153 VanDerWaalsContact CD2-CG 3.46Å; R1151-P1153 WeakPolarHBondContact O-CD 3.35Å; P1153-N1155 WeakPolarHBondContact CB-OD1 3.28Å; P1153-N1155 PolarHBondContact O-N 2.9Å; P1153-I1156 PolarHBondContact O-N 2.89Å; P1153-R1157 WeakPolarHBondContact O-CG 3.33Å; P1153-R1157 PolarHBondContact O-N 2.96Å |
| 1154 | D | 75.2 | Confident | 78 | Confident | 99 Ų | 99 | 50.1 Ų | 50.1 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.7 | -175 | -58.9 | -48.9 | 0 | 0 | 0 | 114.8 | Y1058 R1151 I1156 R1157 | Y1058-D1154 PolarHBondContact OH-N 3.06Å; Y1058-D1154 PolarHBondContact OH-OD1 3.16Å; Y1058-D1154 PolarHBondContact OH-OD2 3.43Å; R1151-D1154 IonicContact NH1-OD1 3.27Å; R1151-D1154 PolarHBondContact NH1-OD1 3.18Å; D1154-I1156 VanDerWaalsContact C-N 3.34Å; D1154-R1157 WeakPolarHBondContact OD1-CD 3.22Å; D1154-R1157 IonicContact OD1-NE 3.76Å |
| 1155 | N | 78.1 | Confident | 79.4 | Confident | 89 Ų | 89 | 46.9 Ų | 46.9 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12.8 | 173.1 | 69.2 | -9 | 0 | 0 | 0 | 114.2 | P1153 | P1153-N1155 WeakPolarHBondContact CB-OD1 3.28Å; P1153-N1155 PolarHBondContact O-N 2.9Å |
| 1156 | I | 81.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -26.8 | 173.5 | -69.4 | 172.4 | 0 | 0 | 0 | 111.1 | Y913 P1013 L1016 I1152 P1153 D1154 | Y913-I1156 HydrophobicContact CD1-CD1 3.69Å; Y913-I1156 HydrophobicContact CD2-CD1 4.46Å; Y913-I1156 HydrophobicContact CE1-CD1 3.35Å; Y913-I1156 HydrophobicContact CE2-CD1 4.18Å; Y913-I1156 HydrophobicContact CG-CD1 4.24Å; Y913-I1156 HydrophobicContact CG-CG2 4.43Å; P1013-I1156 HydrophobicContact CB-CD1 4.18Å; P1013-I1156 HydrophobicContact CB-CG1 3.69Å; L1016-I1156 HydrophobicContact CD1-CG2 4.39Å; L1016-I1156 HydrophobicContact CD2-CG2 4.24Å; L1016-I1156 HydrophobicContact CG-CG2 3.96Å; I1152-I1156 HydrophobicContact CG2-CB 4.02Å; I1152-I1156 HydrophobicContact CG2-CG2 3.81Å; P1153-I1156 PolarHBondContact O-N 2.89Å; D1154-I1156 VanDerWaalsContact C-N 3.34Å |
| 1157 | R | 77.7 | Confident | 81.5 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -66.7 | 154 | 177.4 | -61.9 | 176.6 | 98 | 87 | 0.4 | 112.4 | D956 R1151 I1152 P1153 D1154 | D956-R1157 IonicContact OD1-CZ 2.69Å; D956-R1157 IonicContact OD1-NH1 3.42Å; D956-R1157 PolarHBondContact OD1-NH1 3.36Å; D956-R1157 IonicContact OD1-NH2 3.11Å; D956-R1157 IonicContact OD2-CZ 3.39Å; D956-R1157 VanDerWaalsContact OD2-CZ 3.26Å; D956-R1157 IonicContact OD2-NH1 3.14Å; D956-R1157 PolarHBondContact OD2-NH1 3.42Å; D956-R1157 IonicContact OD2-NH2 2.71Å; D956-R1157 PolarHBondContact OD2-NH2 2.82Å; R1151-R1157 VanDerWaalsContact CZ-CZ 3.49Å; I1152-R1157 HydrophobicContact CG2-CG 4.16Å; I1152-R1157 WeakPolarHBondContact O-CD 3.48Å; I1152-R1157 PolarHBondContact O-NH1 2.8Å; P1153-R1157 WeakPolarHBondContact O-CG 3.33Å; P1153-R1157 PolarHBondContact O-N 2.96Å; D1154-R1157 WeakPolarHBondContact OD1-CD 3.22Å; D1154-R1157 IonicContact OD1-NE 3.76Å |
| 1158 | P | 72.3 | Confident | 82.4 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 139.1 | 162.2 | -17.3 | 32 | 0 | 0 | 0 | 111 | P1223 Y1228 | P1158-P1223 HydrophobicContact CB-CB 3.8Å; P1158-P1223 HydrophobicContact CB-CG 4.08Å; P1158-P1223 HydrophobicContact CG-CG 4.43Å; P1158-Y1228 HydrophobicContact CB-CD2 3.86Å; P1158-Y1228 HydrophobicContact CB-CE2 4.46Å; P1158-Y1228 HydrophobicContact CB-CG 4.35Å; P1158-Y1228 HydrophobicContact CG-CD1 4.5Å; P1158-Y1228 HydrophobicContact CG-CD2 3.83Å; P1158-Y1228 HydrophobicContact CG-CE2 4.42Å; P1158-Y1228 HydrophobicContact CG-CG 3.87Å |
| 1159 | P | 71.7 | Confident | 83.5 | Confident | 95 Ų | 95 | 27.6 Ų | 27.6 | 62% | 0.617 | 14% | 0.144 | S | C | * | . | P | Polyproline II helix | trans | -66.1 | 141.8 | 171.6 | 28.4 | -34.3 | 0 | 0 | 0 | 110.5 | P1223 V1224 | P1159-P1223 CarbonylContact O-C 3.59Å; P1159-P1223 WeakPolarHBondContact O-CA 3.5Å; P1159-V1224 HydrophobicContact CG-CB 4.46Å; P1159-V1224 PolarHBondContact O-N 3.41Å |
| 1160 | L | 75.2 | Confident | 84.1 | Confident | 54 Ų | 54 | 27.1 Ų | 27.1 | 28% | 0.283 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 144.9 | -173.8 | -52.3 | -179.7 | 0 | 0 | 0 | 112.8 | Y1221 L1222 P1223 | L1160-Y1221 HydrophobicContact CB-CD1 4.49Å; L1160-L1222 CarbonylContact C-O 3.59Å; L1160-L1222 WeakPolarHBondContact CA-O 3.32Å; L1160-P1223 HydrophobicContact CD2-CB 4.44Å; L1160-P1223 HydrophobicContact CD2-CG 3.91Å |
| 1161 | Q | 78.7 | Confident | 84.3 | Confident | 76 Ų | 76 | 24.4 Ų | 24.4 | 36% | 0.355 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151 | 172.1 | 169 | 173.3 | 12.9 | 0 | 0 | 110.1 | F1163 Y1221 L1222 V1224 | Q1161-F1163 HydrophobicContact CB-CD2 4.49Å; Q1161-F1163 HydrophobicContact CB-CE2 3.75Å; Q1161-F1163 HydrophobicContact CB-CZ 4.29Å; Q1161-F1163 HydrophobicContact CG-CD2 4.38Å; Q1161-F1163 HydrophobicContact CG-CE2 3.81Å; Q1161-F1163 HydrophobicContact CG-CZ 4.05Å; Q1161-F1163 VanDerWaalsContact O-CD2 3.29Å; Q1161-F1163 WeakPolarHBondContact O-CD2 3.45Å; Q1161-Y1221 CarbonylContact O-C 3.53Å; Q1161-Y1221 WeakPolarHBondContact O-CA 3.39Å; Q1161-L1222 PolarHBondContact N-O 2.83Å; Q1161-L1222 PolarHBondContact O-N 3.31Å; Q1161-V1224 HydrophobicContact CB-CG2 3.84Å |
| 1162 | R | 83.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.2 | 174.9 | -169.1 | 176.9 | 176.5 | -173.1 | -7.2 | 110.2 | D1219 Y1221 V1615 N1616 D1617 E1619 | R1162-D1219 HydrophobicContact CG-CB 4.43Å; R1162-D1219 IonicContact CZ-OD2 2.61Å; R1162-D1219 IonicContact NE-OD2 3.89Å; R1162-D1219 PolarHBondContact NE-OD2 3.12Å; R1162-D1219 IonicContact NH2-OD2 2.66Å; R1162-D1219 PolarHBondContact NH2-OD2 3.07Å; R1162-Y1221 HydrophobicContact CB-CD1 4.17Å; R1162-Y1221 HydrophobicContact CB-CE1 3.57Å; R1162-Y1221 HydrophobicContact CG-CE1 4.24Å; R1162-Y1221 HydrophobicContact CG-CE2 4.49Å; R1162-V1615 HydrophobicContact CG-CG1 4.49Å; R1162-V1615 PolarHBondContact O-N 3.32Å; R1162-N1616 PolarHBondContact NH1-O 3.15Å; R1162-D1617 PolarHBondContact NH1-O 2.82Å; R1162-E1619 PolarHBondContact NH1-O 3.1Å; R1162-E1619 PolarHBondContact NH2-O 2.82Å |
| 1163 | F | 86.9 | Confident | 84.5 | Confident | 11 Ų | 11 | 25.7 Ų | 25.7 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.4 | 169.8 | -65.2 | -95.5 | 0 | 0 | 0 | 109 | Q1161 D1219 V1220 L1222 W1229 L1260 I1612 Y1613 P1614 | Q1161-F1163 HydrophobicContact CB-CD2 4.49Å; Q1161-F1163 HydrophobicContact CB-CE2 3.75Å; Q1161-F1163 HydrophobicContact CB-CZ 4.29Å; Q1161-F1163 HydrophobicContact CG-CD2 4.38Å; Q1161-F1163 HydrophobicContact CG-CE2 3.81Å; Q1161-F1163 HydrophobicContact CG-CZ 4.05Å; Q1161-F1163 VanDerWaalsContact O-CD2 3.29Å; Q1161-F1163 WeakPolarHBondContact O-CD2 3.45Å; F1163-D1219 CarbonylContact O-C 3.57Å; F1163-D1219 WeakPolarHBondContact O-CA 3.5Å; F1163-V1220 HydrophobicContact CB-CG2 4.41Å; F1163-V1220 PolarHBondContact N-O 2.83Å; F1163-V1220 PolarHBondContact O-N 3.2Å; F1163-L1222 HydrophobicContact CB-CD1 4.48Å; F1163-L1222 HydrophobicContact CD2-CB 3.79Å; F1163-L1222 HydrophobicContact CD2-CD1 4.29Å; F1163-L1222 HydrophobicContact CD2-CG 4.25Å; F1163-L1222 HydrophobicContact CE2-CB 4.06Å; F1163-L1222 HydrophobicContact CG-CD1 4.47Å; F1163-W1229 HydrophobicContact CD1-CH2 4.22Å; F1163-W1229 HydrophobicContact CD1-CZ2 4.16Å; F1163-W1229 HydrophobicContact CD2-CZ2 4.31Å; F1163-W1229 HydrophobicContact CE1-CH2 4.15Å; F1163-W1229 AromaticContact CE1-CZ2 3.8Å; F1163-W1229 HydrophobicContact CE1-CZ2 3.8Å; F1163-W1229 AromaticContact CE2-CZ2 3.95Å; F1163-W1229 HydrophobicContact CE2-CZ2 3.95Å; F1163-W1229 HydrophobicContact CG-CZ2 4.42Å; F1163-W1229 HydrophobicContact CZ-CH2 4.5Å; F1163-W1229 AromaticContact CZ-CZ2 3.7Å; F1163-W1229 HydrophobicContact CZ-CZ2 3.7Å; F1163-L1260 HydrophobicContact CD1-CD1 4.31Å; F1163-L1260 HydrophobicContact CE1-CD1 4.2Å; F1163-I1612 HydrophobicContact CB-CG2 4.01Å; F1163-I1612 HydrophobicContact CD1-CG2 4.11Å; F1163-I1612 HydrophobicContact CG-CG2 4.35Å; F1163-Y1613 CarbonylContact C-O 3.58Å; F1163-Y1613 VanDerWaalsContact CA-O 3.27Å; F1163-Y1613 WeakPolarHBondContact CA-O 3.22Å; F1163-P1614 HydrophobicContact CD1-CB 4.05Å; F1163-P1614 HydrophobicContact CE1-CB 3.85Å |
| 1164 | R | 89.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.9 | 167.5 | -176.7 | 160.6 | -62.3 | 139.4 | 7.9 | 109.1 | E1166 D1219 I1612 Y1613 V1615 E1619 P1620 | R1164-E1166 HydrophobicContact CG-CG 4.44Å; R1164-D1219 WeakPolarHBondContact CB-OD1 3.29Å; R1164-D1219 VanDerWaalsContact CG-OD1 3.29Å; R1164-D1219 WeakPolarHBondContact CG-OD1 3.38Å; R1164-D1219 IonicContact CZ-OD1 2.93Å; R1164-D1219 IonicContact CZ-OD2 3.72Å; R1164-D1219 IonicContact NE-OD1 3.3Å; R1164-D1219 PolarHBondContact NE-OD1 3.11Å; R1164-D1219 IonicContact NE-OD2 3Å; R1164-D1219 IonicContact NH2-OD1 2.67Å; R1164-D1219 PolarHBondContact NH2-OD1 2.87Å; R1164-D1219 IonicContact NH2-OD2 2.61Å; R1164-D1219 PolarHBondContact NH2-OD2 3.41Å; R1164-I1612 CarbonylContact O-C 3.57Å; R1164-I1612 WeakPolarHBondContact O-CA 3.39Å; R1164-Y1613 HydrophobicContact CB-CD1 4.49Å; R1164-Y1613 HydrophobicContact CB-CE1 4.1Å; R1164-Y1613 HydrophobicContact CB-CE2 4.22Å; R1164-Y1613 WeakPolarHBondContact CD-OH 2.89Å; R1164-Y1613 HydrophobicContact CG-CE1 4.16Å; R1164-Y1613 PolarHBondContact N-O 2.86Å; R1164-Y1613 PolarHBondContact O-N 2.87Å; R1164-V1615 HydrophobicContact CB-CG2 3.62Å; R1164-E1619 IonicContact CZ-OE1 3.7Å; R1164-E1619 IonicContact NH1-OE1 3.72Å; R1164-E1619 PolarHBondContact NH1-OE1 3.27Å; R1164-E1619 IonicContact NH2-OE1 2.78Å; R1164-P1620 PolarHBondContact NH2-O 3.41Å |
| 1165 | M | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.6 | 174.4 | -173.1 | 174.2 | 89 | 0 | 0 | 108.8 | V1167 V1190 I1192 A1217 M1218 L1232 L1610 V1611 I1612 | M1165-V1167 HydrophobicContact CE-CG2 3.92Å; M1165-V1190 HydrophobicContact CE-CG1 3.76Å; M1165-I1192 HydrophobicContact CE-CG2 4.14Å; M1165-I1192 HydrophobicContact SD-CG2 3.97Å; M1165-A1217 CarbonylContact O-C 3.6Å; M1165-A1217 VanDerWaalsContact O-CA 3.27Å; M1165-A1217 WeakPolarHBondContact O-CA 3.34Å; M1165-M1218 HydrophobicContact CE-CE 3.45Å; M1165-M1218 VanDerWaalsContact CE-CE 3.45Å; M1165-M1218 PolarHBondContact N-O 2.95Å; M1165-M1218 PolarHBondContact O-N 3.48Å; M1165-L1232 HydrophobicContact CE-CD1 4.17Å; M1165-L1232 HydrophobicContact SD-CD1 3.85Å; M1165-L1610 HydrophobicContact CG-CD1 3.44Å; M1165-L1610 VanDerWaalsContact CG-CD1 3.44Å; M1165-L1610 HydrophobicContact SD-CD1 3.92Å; M1165-V1611 WeakPolarHBondContact CA-O 3.22Å; M1165-I1612 HydrophobicContact CB-CG1 4.26Å; M1165-I1612 HydrophobicContact CG-CG1 3.85Å; M1165-I1612 HydrophobicContact SD-CD1 4.36Å; M1165-I1612 HydrophobicContact SD-CG1 4.32Å |
| 1166 | E | 93.1 | Very high | 85 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127 | 174.3 | -53.6 | -177.9 | -179.8 | 0 | 0 | 109.1 | R1164 L1215 A1217 L1610 V1611 Y1613 L1628 K1629 L1630 | R1164-E1166 HydrophobicContact CG-CG 4.44Å; E1166-L1215 HydrophobicContact CB-CD1 4.34Å; E1166-A1217 HydrophobicContact CG-CB 4.11Å; E1166-L1610 WeakPolarHBondContact O-CA 3.31Å; E1166-L1610 WeakPolarHBondContact O-CD1 3.42Å; E1166-V1611 HydrophobicContact CB-CG2 3.93Å; E1166-V1611 HydrophobicContact CG-CG2 4.11Å; E1166-V1611 PolarHBondContact N-O 3.44Å; E1166-V1611 PolarHBondContact O-N 2.79Å; E1166-V1611 VanDerWaalsContact O-N 3.1Å; E1166-Y1613 HydrophobicContact CG-CE1 4.24Å; E1166-Y1613 WeakPolarHBondContact OE1-CE1 3.44Å; E1166-Y1613 PolarHBondContact OE1-OH 3.24Å; E1166-L1628 HydrophobicContact CG-CD2 4.18Å; E1166-L1628 WeakPolarHBondContact OE1-CA 3.22Å; E1166-L1628 WeakPolarHBondContact OE1-CD2 3.32Å; E1166-K1629 VanDerWaalsContact CD-N 3.28Å; E1166-K1629 PolarHBondContact OE1-N 3.02Å; E1166-K1629 PolarHBondContact OE2-N 3.27Å; E1166-L1630 HydrophobicContact CB-CD1 3.81Å; E1166-L1630 HydrophobicContact CB-CG 4.29Å; E1166-L1630 WeakPolarHBondContact O-CD1 3.36Å; E1166-L1630 PolarHBondContact OE2-N 2.88Å |
| 1167 | V | 93.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.3 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | M1165 F1169 V1190 L1197 K1216 F1234 F1606 L1610 | M1165-V1167 HydrophobicContact CE-CG2 3.92Å; V1167-F1169 HydrophobicContact CB-CD2 4.13Å; V1167-F1169 HydrophobicContact CB-CE2 3.66Å; V1167-F1169 HydrophobicContact CB-CZ 4.08Å; V1167-F1169 HydrophobicContact CG1-CD1 4.13Å; V1167-F1169 HydrophobicContact CG1-CD2 3.7Å; V1167-F1169 HydrophobicContact CG1-CE1 3.96Å; V1167-F1169 HydrophobicContact CG1-CE2 3.49Å; V1167-F1169 VanDerWaalsContact CG1-CE2 3.49Å; V1167-F1169 HydrophobicContact CG1-CG 4.02Å; V1167-F1169 HydrophobicContact CG1-CZ 3.63Å; V1167-V1190 HydrophobicContact CG1-CG2 4.18Å; V1167-V1190 HydrophobicContact CG2-CB 4.41Å; V1167-V1190 HydrophobicContact CG2-CG1 4.17Å; V1167-V1190 HydrophobicContact CG2-CG2 4.31Å; V1167-L1197 HydrophobicContact CB-CD2 3.99Å; V1167-L1197 HydrophobicContact CG2-CD2 3.83Å; V1167-K1216 PolarHBondContact N-O 3.1Å; V1167-K1216 PolarHBondContact O-N 2.92Å; V1167-F1234 HydrophobicContact CG1-CE1 4.37Å; V1167-F1606 HydrophobicContact CG1-CZ 4.3Å; V1167-L1610 HydrophobicContact CG2-CD1 3.99Å |
| 1168 | M | 93 | Very high | 84.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.6 | 165.2 | -172.6 | 179.6 | 68.5 | 0 | 0 | 109.1 | W1170 P1214 L1215 P1581 F1582 F1606 G1608 N1609 L1630 M1634 | M1168-W1170 PolarHBondContact O-N 3Å; M1168-P1214 CarbonylContact C-O 3.6Å; M1168-P1214 VanDerWaalsContact C-O 3.32Å; M1168-P1214 WeakPolarHBondContact CA-O 3.44Å; M1168-P1214 WeakPolarHBondContact CG-O 3.44Å; M1168-L1215 HydrophobicContact CB-CD1 4.39Å; M1168-P1581 WeakPolarHBondContact CE-O 3.47Å; M1168-F1582 HydrophobicContact CE-CD1 3.47Å; M1168-F1582 VanDerWaalsContact CE-CD1 3.47Å; M1168-F1582 HydrophobicContact CE-CE1 3.55Å; M1168-F1606 WeakPolarHBondContact O-CZ 3.43Å; M1168-G1608 CarbonylContact O-C 3.58Å; M1168-G1608 WeakPolarHBondContact O-CA 3.29Å; M1168-N1609 HydrophobicContact CB-CB 4.28Å; M1168-N1609 HydrophobicContact CE-CB 3.86Å; M1168-N1609 PolarHBondContact N-O 2.77Å; M1168-N1609 PolarHBondContact O-N 3.04Å; M1168-L1630 HydrophobicContact CB-CD1 4.1Å; M1168-M1634 HydrophobicContact CG-CE 4.44Å; M1168-M1634 HydrophobicContact SD-CB 4.48Å; M1168-M1634 HydrophobicContact SD-CE 4.41Å; M1168-M1634 HydrophobicContact SD-CG 4.25Å |
| 1169 | F | 92.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 89.5 | 172.6 | -63.9 | -90.9 | 0 | 0 | 0 | 109.1 | V1167 V1188 V1190 L1197 F1211 P1214 K1216 F1606 | V1167-F1169 HydrophobicContact CB-CD2 4.13Å; V1167-F1169 HydrophobicContact CB-CE2 3.66Å; V1167-F1169 HydrophobicContact CB-CZ 4.08Å; V1167-F1169 HydrophobicContact CG1-CD1 4.13Å; V1167-F1169 HydrophobicContact CG1-CD2 3.7Å; V1167-F1169 HydrophobicContact CG1-CE1 3.96Å; V1167-F1169 HydrophobicContact CG1-CE2 3.49Å; V1167-F1169 VanDerWaalsContact CG1-CE2 3.49Å; V1167-F1169 HydrophobicContact CG1-CG 4.02Å; V1167-F1169 HydrophobicContact CG1-CZ 3.63Å; F1169-V1188 HydrophobicContact CD1-CB 4.13Å; F1169-V1188 HydrophobicContact CD1-CG1 4.34Å; F1169-V1188 HydrophobicContact CE1-CB 4.07Å; F1169-V1188 HydrophobicContact CE1-CG1 4.03Å; F1169-V1190 HydrophobicContact CE1-CG2 3.71Å; F1169-V1190 HydrophobicContact CZ-CB 4.49Å; F1169-V1190 HydrophobicContact CZ-CG2 3.75Å; F1169-L1197 HydrophobicContact CE2-CD2 4.28Å; F1169-L1197 HydrophobicContact CE2-CG 4.19Å; F1169-L1197 HydrophobicContact CZ-CG 4.35Å; F1169-F1211 HydrophobicContact CB-CB 4.36Å; F1169-F1211 HydrophobicContact CB-CD2 3.82Å; F1169-F1211 HydrophobicContact CB-CE2 4.4Å; F1169-F1211 HydrophobicContact CB-CG 4.16Å; F1169-F1211 WeakPolarHBondContact O-CD2 3.46Å; F1169-P1214 PolarHBondContact N-O 3.36Å; F1169-P1214 VanDerWaalsContact O-CA 3.26Å; F1169-P1214 WeakPolarHBondContact O-CA 3.18Å; F1169-K1216 HydrophobicContact CE2-CB 4.31Å; F1169-F1606 HydrophobicContact CB-CE2 4.4Å; F1169-F1606 AromaticContact CD1-CE2 3.81Å; F1169-F1606 HydrophobicContact CD1-CE2 3.81Å; F1169-F1606 HydrophobicContact CD1-CZ 4.08Å; F1169-F1606 HydrophobicContact CG-CE2 4.45Å |
| 1170 | W | 91 | Very high | 84.9 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -61.8 | -177.8 | -174.1 | -103.4 | 0 | 0 | 0 | 112 | M1168 L1210 F1211 P1214 F1582 K1607 M1634 P1635 A1638 E1731 | M1168-W1170 PolarHBondContact O-N 3Å; W1170-L1210 HydrophobicContact CD2-CD2 4.12Å; W1170-L1210 HydrophobicContact CG-CD2 4.3Å; W1170-L1210 HydrophobicContact CZ2-CD2 4.27Å; W1170-L1210 WeakPolarHBondContact O-CD2 3.26Å; W1170-F1211 PolarHBondContact O-N 3.04Å; W1170-P1214 HydrophobicContact CE3-CB 4.42Å; W1170-F1582 HydrophobicContact CB-CD1 4.15Å; W1170-F1582 HydrophobicContact CB-CE1 3.77Å; W1170-F1582 AromaticContact CD1-CE1 3.63Å; W1170-F1582 AromaticContact CD1-CZ 3.63Å; W1170-F1582 AromaticContact CD2-CE1 3.41Å; W1170-F1582 HydrophobicContact CD2-CE1 3.41Å; W1170-F1582 VanDerWaalsContact CD2-CE1 3.41Å; W1170-F1582 AromaticContact CD2-CZ 3.51Å; W1170-F1582 HydrophobicContact CD2-CZ 3.51Å; W1170-F1582 AromaticContact CE2-CE1 3.79Å; W1170-F1582 AromaticContact CE2-CZ 3.33Å; W1170-F1582 AromaticContact CE3-CE1 3.91Å; W1170-F1582 HydrophobicContact CE3-CE1 3.91Å; W1170-F1582 HydrophobicContact CE3-CZ 4.13Å; W1170-F1582 HydrophobicContact CG-CD1 4.08Å; W1170-F1582 AromaticContact CG-CE1 3.33Å; W1170-F1582 HydrophobicContact CG-CE1 3.33Å; W1170-F1582 AromaticContact CG-CZ 3.71Å; W1170-F1582 HydrophobicContact CG-CZ 3.71Å; W1170-F1582 HydrophobicContact CH2-CZ 4.39Å; W1170-F1582 AromaticContact CZ2-CZ 3.81Å; W1170-F1582 HydrophobicContact CZ2-CZ 3.81Å; W1170-F1582 AromaticContact NE1-CE1 3.89Å; W1170-F1582 AromaticContact NE1-CE2 3.99Å; W1170-F1582 AromaticContact NE1-CZ 3.4Å; W1170-K1607 WeakPolarHBondContact CB-O 3.42Å; W1170-K1607 PolarHBondContact N-O 2.86Å; W1170-K1607 VanDerWaalsContact N-O 3.13Å; W1170-M1634 HydrophobicContact CZ3-CG 4.16Å; W1170-P1635 HydrophobicContact CH2-CB 3.96Å; W1170-P1635 HydrophobicContact CH2-CG 3.93Å; W1170-P1635 HydrophobicContact CZ2-CG 4.35Å; W1170-P1635 HydrophobicContact CZ3-CG 4.29Å; W1170-A1638 HydrophobicContact CH2-CB 3.58Å; W1170-A1638 HydrophobicContact CZ2-CB 3.99Å; W1170-A1638 HydrophobicContact CZ3-CB 4.44Å; W1170-E1731 PolarHBondContact NE1-OE1 3.44Å |
| 1171 | S | 90.4 | Very high | 85.2 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 170.1 | -171.2 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | P1209 K1607 | S1171-P1209 VanDerWaalsContact CB-O 3.25Å; S1171-P1209 WeakPolarHBondContact CB-O 3.41Å; S1171-P1209 PolarHBondContact OG-O 3.46Å; S1171-K1607 PolarHBondContact N-O 2.57Å; S1171-K1607 PolarHBondContact O-N 3.18Å |
| 1172 | V | 90.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.5 | 163.5 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | M1175 P1186 V1188 I1202 L1205 F1211 F1587 F1605 F1606 | V1172-M1175 HydrophobicContact CB-CE 3.66Å; V1172-M1175 HydrophobicContact CG1-CE 4.14Å; V1172-M1175 HydrophobicContact CG2-CE 4.11Å; V1172-P1186 HydrophobicContact CG2-CB 3.83Å; V1172-P1186 HydrophobicContact CG2-CG 3.49Å; V1172-P1186 VanDerWaalsContact CG2-CG 3.49Å; V1172-V1188 HydrophobicContact CG1-CG2 3.65Å; V1172-I1202 HydrophobicContact CG2-CD1 4.22Å; V1172-L1205 HydrophobicContact CG2-CD1 3.91Å; V1172-F1211 HydrophobicContact CG1-CE2 4.11Å; V1172-F1211 HydrophobicContact CG1-CZ 3.94Å; V1172-F1211 HydrophobicContact CG2-CZ 4.35Å; V1172-F1587 HydrophobicContact CG1-CE2 4.11Å; V1172-F1605 CarbonylContact C-O 3.51Å; V1172-F1605 VanDerWaalsContact CA-O 3.25Å; V1172-F1605 WeakPolarHBondContact CA-O 3.44Å; V1172-F1606 HydrophobicContact CG1-CD2 4.26Å |
| 1173 | W | 84.7 | Confident | 85.7 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 173.3 | -172.5 | 65.2 | -86 | 0 | 0 | 0 | 112.3 | M1175 N1584 G1604 F1605 L1706 | W1173-M1175 PolarHBondContact O-N 3.22Å; W1173-N1584 PolarHBondContact NE1-OD1 3.05Å; W1173-G1604 CarbonylContact O-C 3.56Å; W1173-G1604 WeakPolarHBondContact O-CA 3.44Å; W1173-F1605 HydrophobicContact CD2-CB 3.97Å; W1173-F1605 HydrophobicContact CD2-CD2 4.21Å; W1173-F1605 HydrophobicContact CD2-CG 4.36Å; W1173-F1605 AromaticContact CE2-CG 3.93Å; W1173-F1605 HydrophobicContact CE3-CD2 4.05Å; W1173-F1605 HydrophobicContact CG-CB 4.24Å; W1173-F1605 AromaticContact CH2-CD2 3.83Å; W1173-F1605 HydrophobicContact CH2-CD2 3.83Å; W1173-F1605 HydrophobicContact CH2-CE2 4.09Å; W1173-F1605 HydrophobicContact CH2-CG 4.09Å; W1173-F1605 HydrophobicContact CZ2-CB 3.95Å; W1173-F1605 HydrophobicContact CZ2-CD1 4.24Å; W1173-F1605 HydrophobicContact CZ2-CD2 4.01Å; W1173-F1605 AromaticContact CZ2-CG 3.81Å; W1173-F1605 HydrophobicContact CZ2-CG 3.81Å; W1173-F1605 AromaticContact CZ3-CD2 3.84Å; W1173-F1605 HydrophobicContact CZ3-CD2 3.84Å; W1173-F1605 HydrophobicContact CZ3-CE2 4.13Å; W1173-F1605 HydrophobicContact CZ3-CG 4.47Å; W1173-F1605 PolarHBondContact N-O 3.02Å; W1173-F1605 PolarHBondContact O-N 3.43Å; W1173-L1706 HydrophobicContact CH2-CD1 3.94Å; W1173-L1706 HydrophobicContact CZ3-CB 4.46Å; W1173-L1706 HydrophobicContact CZ3-CD1 3.64Å; W1173-L1706 HydrophobicContact CZ3-CD2 3.94Å; W1173-L1706 HydrophobicContact CZ3-CG 4.23Å |
| 1174 | G | 80.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 49% | 0.485 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 64.5 | 21.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1176 G1604 | G1174-V1176 PolarHBondContact O-N 3.02Å; G1174-G1604 WeakPolarHBondContact O-CA 3.21Å |
| 1175 | M | 86 | Confident | 85.9 | Confident | 37 Ų | 37 | 50 Ų | 50 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 119.7 | -167.8 | -75.6 | -68.9 | 172 | 0 | 0 | 113.8 | V1172 W1173 V1183 L1205 C1236 I1248 F1587 T1603 | V1172-M1175 HydrophobicContact CB-CE 3.66Å; V1172-M1175 HydrophobicContact CG1-CE 4.14Å; V1172-M1175 HydrophobicContact CG2-CE 4.11Å; W1173-M1175 PolarHBondContact O-N 3.22Å; M1175-V1183 HydrophobicContact CB-CB 4.15Å; M1175-V1183 HydrophobicContact CB-CG2 4.36Å; M1175-V1183 HydrophobicContact CG-CG1 4.46Å; M1175-L1205 HydrophobicContact CB-CD2 4.33Å; M1175-L1205 HydrophobicContact CG-CD2 4.12Å; M1175-C1236 HydrophobicContact CE-CB 4.5Å; M1175-I1248 HydrophobicContact SD-CD1 4.35Å; M1175-I1248 HydrophobicContact SD-CG2 3.75Å; M1175-F1587 HydrophobicContact CE-CD2 3.83Å; M1175-F1587 HydrophobicContact CE-CE2 3.91Å; M1175-T1603 WeakPolarHBondContact CA-O 3.47Å |
| 1176 | V | 81.2 | Confident | 86 | Confident | 72 Ų | 72 | 50 Ų | 50 | 44% | 0.436 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 145.5 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | G1174 Q1178 T1603 | G1174-V1176 PolarHBondContact O-N 3.02Å; V1176-Q1178 PolarHBondContact O-N 3.4Å; V1176-T1603 PolarHBondContact N-O 3.34Å |
| 1177 | R | 80.8 | Confident | 86 | Confident | 176 Ų | 176 | 52.9 Ų | 52.9 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -66 | 123.7 | 179.5 | -62.6 | -171 | -176.9 | -163.8 | 6.5 | 111.5 | L1180 L1181 | R1177-L1180 WeakPolarHBondContact CD-O 3.33Å; R1177-L1180 PolarHBondContact NH1-O 3.44Å; R1177-L1181 CarbonylContact C-O 3.3Å; R1177-L1181 VanDerWaalsContact CA-O 3.26Å; R1177-L1181 WeakPolarHBondContact CA-O 3.23Å; R1177-L1181 WeakPolarHBondContact CB-O 3.37Å |
| 1178 | Q | 73.9 | Confident | 86 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -98.3 | 116.7 | 177.2 | -62.6 | -63.4 | -12.6 | 0 | 0 | 110.2 | V1176 L1181 V1183 R1240 I1248 | V1176-Q1178 PolarHBondContact O-N 3.4Å; Q1178-L1181 PolarHBondContact N-O 3.39Å; Q1178-L1181 PolarHBondContact O-N 2.92Å; Q1178-V1183 HydrophobicContact CG-CG2 4.12Å; Q1178-R1240 PolarHBondContact O-NH1 3.02Å; Q1178-R1240 PolarHBondContact O-NH2 2.78Å; Q1178-I1248 HydrophobicContact CG-CG1 4.35Å; Q1178-I1248 HydrophobicContact CG-CG2 4.3Å; Q1178-I1248 PolarHBondContact NE2-O 3.44Å; Q1178-I1248 VanDerWaalsContact NE2-O 3.12Å |
| 1179 | H | 72.4 | Confident | 85.9 | Confident | 138 Ų | 138 | 53 Ų | 53 | 64% | 0.639 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 53.7 | -171.3 | -52.8 | -92 | 0 | 0 | 0 | 112.4 | L1181 | H1179-L1181 PolarHBondContact O-N 3.21Š|
| 1180 | L | 74.5 | Confident | 85.8 | Confident | 151 Ų | 151 | 53 Ų | 53 | 79% | 0.791 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -10.9 | -177.2 | -55.9 | 175.4 | 0 | 0 | 0 | 116.3 | R1177 | R1177-L1180 WeakPolarHBondContact CD-O 3.33Å; R1177-L1180 PolarHBondContact NH1-O 3.44Å |
| 1181 | L | 82.4 | Confident | 85.4 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -91.8 | 141.8 | 177.4 | -66.3 | 171.9 | 0 | 0 | 0 | 111.5 | R1177 Q1178 H1179 | R1177-L1181 CarbonylContact C-O 3.3Å; R1177-L1181 VanDerWaalsContact CA-O 3.26Å; R1177-L1181 WeakPolarHBondContact CA-O 3.23Å; R1177-L1181 WeakPolarHBondContact CB-O 3.37Å; Q1178-L1181 PolarHBondContact N-O 3.39Å; Q1178-L1181 PolarHBondContact O-N 2.92Å; H1179-L1181 PolarHBondContact O-N 3.21Å |
| 1182 | P | 84.3 | Confident | 84.9 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 143 | 173.6 | 30.4 | -34.6 | 0 | 0 | 0 | 111.1 | K1184 | P1182-K1184 PolarHBondContact O-N 3.36Š|
| 1183 | V | 87.4 | Confident | 83.9 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 130.7 | 166.5 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | M1175 Q1178 P1186 L1205 D1238 I1248 | M1175-V1183 HydrophobicContact CB-CB 4.15Å; M1175-V1183 HydrophobicContact CB-CG2 4.36Å; M1175-V1183 HydrophobicContact CG-CG1 4.46Å; Q1178-V1183 HydrophobicContact CG-CG2 4.12Å; V1183-P1186 HydrophobicContact CG1-CB 4.04Å; V1183-P1186 HydrophobicContact CG1-CG 4.22Å; V1183-L1205 HydrophobicContact CG1-CD2 4.15Å; V1183-D1238 HydrophobicContact CG1-CB 4.2Å; V1183-I1248 HydrophobicContact CB-CD1 4.46Å; V1183-I1248 HydrophobicContact CG1-CD1 3.66Å; V1183-I1248 HydrophobicContact CG2-CD1 3.88Å; V1183-I1248 HydrophobicContact CG2-CG1 3.98Å; V1183-I1248 HydrophobicContact CG2-CG2 4.38Å |
| 1184 | K | 88 | Confident | 83 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | trans | -124 | -33.3 | -178.5 | -77.9 | -165.7 | 176.2 | -171.7 | 0 | 114 | P1182 P1186 L1205 D1238 | P1182-K1184 PolarHBondContact O-N 3.36Å; K1184-P1186 VanDerWaalsContact C-CD 3.4Å; K1184-P1186 WeakPolarHBondContact O-CD 3.38Å; K1184-L1205 WeakPolarHBondContact O-CB 3.27Å; K1184-L1205 PolarHBondContact O-N 3.46Å; K1184-D1238 PolarHBondContact N-OD1 2.73Å | ||
| 1185 | R | 92.3 | Very high | 82.7 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -128.5 | 61.3 | -173.3 | -62.2 | -170.5 | 76.7 | -135.7 | 10.3 | 112.2 | I1201 I1202 N1203 D1238 N1239 | R1185-I1201 HydrophobicContact CB-CG2 3.9Å; R1185-I1202 WeakPolarHBondContact CA-O 3.23Å; R1185-I1202 WeakPolarHBondContact CB-O 3.41Å; R1185-N1203 WeakPolarHBondContact CG-O 3.34Å; R1185-N1203 PolarHBondContact NH2-OD1 2.9Å; R1185-D1238 PolarHBondContact N-OD1 2.85Å; R1185-N1239 HydrophobicContact CB-CB 4.35Å; R1185-N1239 VanDerWaalsContact CB-O 3.29Å; R1185-N1239 WeakPolarHBondContact CB-O 3.36Å; R1185-N1239 WeakPolarHBondContact CD-O 3.29Å; R1185-N1239 PolarHBondContact NH1-O 2.93Å; R1185-N1239 PolarHBondContact O-N 3.3Å; R1185-N1239 PolarHBondContact O-ND2 3.28Å |
| 1186 | P | 93.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 146.3 | -177.1 | 28.5 | -33.7 | 0 | 0 | 0 | 112.6 | V1172 V1183 K1184 I1202 L1205 F1237 I1248 | V1172-P1186 HydrophobicContact CG2-CB 3.83Å; V1172-P1186 HydrophobicContact CG2-CG 3.49Å; V1172-P1186 VanDerWaalsContact CG2-CG 3.49Å; V1183-P1186 HydrophobicContact CG1-CB 4.04Å; V1183-P1186 HydrophobicContact CG1-CG 4.22Å; K1184-P1186 VanDerWaalsContact C-CD 3.4Å; K1184-P1186 WeakPolarHBondContact O-CD 3.38Å; P1186-I1202 HydrophobicContact CG-CB 4.13Å; P1186-I1202 HydrophobicContact CG-CD1 4.24Å; P1186-I1202 PolarHBondContact O-N 2.96Å; P1186-L1205 HydrophobicContact CG-CB 4.39Å; P1186-L1205 HydrophobicContact CG-CD1 3.89Å; P1186-L1205 HydrophobicContact CG-CD2 4.13Å; P1186-L1205 HydrophobicContact CG-CG 4.37Å; P1186-F1237 CarbonylContact C-O 3.13Å; P1186-F1237 WeakPolarHBondContact CA-O 3.28Å; P1186-I1248 HydrophobicContact CB-CD1 4.38Å |
| 1187 | R | 93.8 | Very high | 82.7 | Confident | 60 Ų | 60 | 54 Ų | 54 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.5 | 168.1 | -171.1 | -178.5 | -166.2 | -171.9 | -11.6 | 108.1 | E1198 S1199 I1201 C1236 F1237 N1239 | R1187-E1198 IonicContact CZ-OE2 3.1Å; R1187-E1198 IonicContact NE-OE2 3.1Å; R1187-E1198 IonicContact NH1-OE2 2.73Å; R1187-E1198 PolarHBondContact NH1-OE2 3.43Å; R1187-E1198 IonicContact NH2-OE2 3.62Å; R1187-E1198 PolarHBondContact NH2-OE2 2.74Å; R1187-S1199 WeakPolarHBondContact CG-O 3.45Å; R1187-S1199 WeakPolarHBondContact CG-OG 3.32Å; R1187-S1199 PolarHBondContact NE-O 2.83Å; R1187-I1201 HydrophobicContact CB-CG1 4.15Å; R1187-I1201 HydrophobicContact CG-CG1 4.23Å; R1187-C1236 CarbonylContact O-C 3.45Å; R1187-C1236 WeakPolarHBondContact O-CA 3.36Å; R1187-F1237 PolarHBondContact N-O 3.24Å; R1187-F1237 PolarHBondContact O-N 3.34Å; R1187-N1239 VanDerWaalsContact CB-ND2 3.29Å; R1187-N1239 WeakPolarHBondContact CB-ND2 3.34Å |
| 1188 | V | 93.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.8 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | F1169 V1172 V1190 S1199 F1211 F1234 T1235 C1236 F1587 F1606 | F1169-V1188 HydrophobicContact CD1-CB 4.13Å; F1169-V1188 HydrophobicContact CD1-CG1 4.34Å; F1169-V1188 HydrophobicContact CE1-CB 4.07Å; F1169-V1188 HydrophobicContact CE1-CG1 4.03Å; V1172-V1188 HydrophobicContact CG1-CG2 3.65Å; V1188-V1190 HydrophobicContact CG1-CG2 4.46Å; V1188-S1199 PolarHBondContact N-OG 3.15Å; V1188-S1199 PolarHBondContact O-N 2.86Å; V1188-S1199 PolarHBondContact O-OG 2.8Å; V1188-F1211 HydrophobicContact CG2-CZ 3.93Å; V1188-F1234 HydrophobicContact CG1-CD1 4.18Å; V1188-T1235 WeakPolarHBondContact CA-O 3.43Å; V1188-C1236 HydrophobicContact CG2-CB 4.4Å; V1188-F1587 HydrophobicContact CG1-CZ 4.1Å; V1188-F1587 HydrophobicContact CG2-CE2 4.42Å; V1188-F1587 HydrophobicContact CG2-CZ 3.84Å; V1188-F1606 HydrophobicContact CG1-CD2 4.17Å; V1188-F1606 HydrophobicContact CG1-CE2 4.31Å; V1188-F1606 HydrophobicContact CG2-CD2 4.09Å |
| 1189 | V | 91.1 | Very high | 84.2 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | K1196 E1198 F1234 T1235 F1237 | V1189-K1196 HydrophobicContact CG1-CB 4.08Å; V1189-K1196 HydrophobicContact CG1-CD 4.14Å; V1189-K1196 HydrophobicContact CG1-CG 4.31Å; V1189-E1198 HydrophobicContact CB-CG 4.4Å; V1189-E1198 HydrophobicContact CG1-CG 4.07Å; V1189-E1198 HydrophobicContact CG2-CB 4.29Å; V1189-E1198 HydrophobicContact CG2-CG 3.85Å; V1189-E1198 VanDerWaalsContact CG2-OE1 3.27Å; V1189-E1198 WeakPolarHBondContact CG2-OE1 3.27Å; V1189-F1234 CarbonylContact O-C 3.24Å; V1189-F1234 WeakPolarHBondContact O-CA 3.46Å; V1189-T1235 PolarHBondContact N-O 3.17Å; V1189-T1235 PolarHBondContact O-N 2.7Å; V1189-F1237 HydrophobicContact CB-CE2 4.05Å; V1189-F1237 HydrophobicContact CG2-CD2 3.98Å; V1189-F1237 HydrophobicContact CG2-CE2 3.68Å |
| 1190 | V | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.6 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | M1165 V1167 F1169 V1188 K1196 L1197 L1232 V1233 F1234 | M1165-V1190 HydrophobicContact CE-CG1 3.76Å; V1167-V1190 HydrophobicContact CG1-CG2 4.18Å; V1167-V1190 HydrophobicContact CG2-CB 4.41Å; V1167-V1190 HydrophobicContact CG2-CG1 4.17Å; V1167-V1190 HydrophobicContact CG2-CG2 4.31Å; F1169-V1190 HydrophobicContact CE1-CG2 3.71Å; F1169-V1190 HydrophobicContact CZ-CB 4.49Å; F1169-V1190 HydrophobicContact CZ-CG2 3.75Å; V1188-V1190 HydrophobicContact CG1-CG2 4.46Å; V1190-K1196 CarbonylContact O-C 3.59Å; V1190-K1196 WeakPolarHBondContact O-CA 3.36Å; V1190-L1197 PolarHBondContact N-O 3.34Å; V1190-L1197 PolarHBondContact O-N 2.98Å; V1190-L1232 HydrophobicContact CG1-CD1 3.49Å; V1190-L1232 VanDerWaalsContact CG1-CD1 3.49Å; V1190-L1232 HydrophobicContact CG1-CG 4.26Å; V1190-V1233 CarbonylContact C-O 3.43Å; V1190-V1233 WeakPolarHBondContact CA-O 3.24Å; V1190-F1234 HydrophobicContact CB-CE1 4.49Å; V1190-F1234 HydrophobicContact CG1-CD2 4.36Å; V1190-F1234 HydrophobicContact CG1-CE1 4.28Å; V1190-F1234 HydrophobicContact CG1-CE2 4.01Å; V1190-F1234 HydrophobicContact CG1-CZ 3.96Å; V1190-F1234 HydrophobicContact CG2-CD1 3.45Å; V1190-F1234 VanDerWaalsContact CG2-CD1 3.45Å; V1190-F1234 HydrophobicContact CG2-CE1 3.39Å; V1190-F1234 HydrophobicContact CG2-CE2 4.48Å; V1190-F1234 HydrophobicContact CG2-CG 4.03Å; V1190-F1234 HydrophobicContact CG2-CZ 3.95Å |
| 1191 | E | 83.1 | Confident | 85.8 | Confident | 37 Ų | 37 | 40 Ų | 40 | 17% | 0.173 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.3 | -174.2 | -179.9 | 163.7 | -156.9 | 0 | 0 | 111.9 | H1195 K1196 L1232 V1233 | E1191-H1195 WeakPolarHBondContact CA-O 3.39Å; E1191-K1196 HydrophobicContact CB-CG 4.14Å; E1191-K1196 VanDerWaalsContact CD-CE 3.49Å; E1191-K1196 HydrophobicContact CG-CG 4.01Å; E1191-K1196 WeakPolarHBondContact OE1-CE 3.21Å; E1191-K1196 IonicContact OE1-NZ 3.3Å; E1191-K1196 PolarHBondContact OE1-NZ 3.48Å; E1191-K1196 IonicContact OE2-NZ 3.13Å; E1191-K1196 PolarHBondContact OE2-NZ 2.92Å; E1191-L1232 WeakPolarHBondContact O-CA 3.38Å; E1191-V1233 PolarHBondContact N-O 2.84Å; E1191-V1233 PolarHBondContact O-N 3.31Å |
| 1192 | I | 79.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 119.2 | 172.9 | -170 | 168.9 | 0 | 0 | 0 | 109.5 | M1165 G1194 H1195 M1218 V1220 L1222 P1230 L1232 A1256 I1612 | M1165-I1192 HydrophobicContact CE-CG2 4.14Å; M1165-I1192 HydrophobicContact SD-CG2 3.97Å; I1192-G1194 PolarHBondContact O-N 2.99Å; I1192-H1195 PolarHBondContact N-O 3.39Å; I1192-H1195 WeakPolarHBondContact O-CB 3.5Å; I1192-H1195 PolarHBondContact O-N 3.35Å; I1192-M1218 HydrophobicContact CG2-CE 3.8Å; I1192-V1220 HydrophobicContact CG2-CG1 4.15Å; I1192-L1222 HydrophobicContact CD1-CD1 4.02Å; I1192-L1222 HydrophobicContact CD1-CD2 4.18Å; I1192-L1222 HydrophobicContact CG1-CD2 4.21Å; I1192-P1230 HydrophobicContact CG1-CG 3.77Å; I1192-L1232 HydrophobicContact CB-CD1 3.72Å; I1192-L1232 HydrophobicContact CD1-CD1 4.28Å; I1192-L1232 HydrophobicContact CG1-CD1 4.4Å; I1192-L1232 HydrophobicContact CG2-CD1 4.33Å; I1192-A1256 HydrophobicContact CD1-CB 4.06Å; I1192-I1612 HydrophobicContact CD1-CD1 4.41Å |
| 1193 | G | 69.1 | Low | 86.1 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 37.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M954 M1136 H1195 | M954-G1193 VanDerWaalsContact CE-C 3.45Å; M954-G1193 WeakPolarHBondContact CE-O 3.47Å; M1136-G1193 VanDerWaalsContact O-O 3.1Å; G1193-H1195 PolarHBondContact O-CD2 3.44Å; G1193-H1195 PolarHBondContact O-N 3.42Å |
| 1194 | G | 65.7 | Low | 86 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -9.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1192 | I1192-G1194 PolarHBondContact O-N 2.99Š|
| 1195 | H | 73.7 | Confident | 85.9 | Confident | 37 Ų | 37 | 33.5 Ų | 33.5 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.3 | 166.9 | -61.3 | -97.8 | 0 | 0 | 0 | 108.9 | G1135 E1191 I1192 G1193 M1218 V1220 | G1135-H1195 PolarHBondContact O-NE2 2.88Å; E1191-H1195 WeakPolarHBondContact CA-O 3.39Å; I1192-H1195 PolarHBondContact N-O 3.39Å; I1192-H1195 WeakPolarHBondContact O-CB 3.5Å; I1192-H1195 PolarHBondContact O-N 3.35Å; G1193-H1195 PolarHBondContact O-CD2 3.44Å; G1193-H1195 PolarHBondContact O-N 3.42Å; H1195-M1218 HydrophobicContact CB-CE 3.91Å; H1195-M1218 HydrophobicContact CB-SD 4.02Å; H1195-V1220 HydrophobicContact CB-CG1 3.86Å |
| 1196 | K | 80.2 | Confident | 85.3 | Confident | 107 Ų | 107 | 33.1 Ų | 33.1 | 47% | 0.465 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.2 | -176.6 | -58.6 | -175.5 | -165.7 | -112.4 | 0 | 110.7 | V1189 V1190 E1191 | V1189-K1196 HydrophobicContact CG1-CB 4.08Å; V1189-K1196 HydrophobicContact CG1-CD 4.14Å; V1189-K1196 HydrophobicContact CG1-CG 4.31Å; V1190-K1196 CarbonylContact O-C 3.59Å; V1190-K1196 WeakPolarHBondContact O-CA 3.36Å; E1191-K1196 HydrophobicContact CB-CG 4.14Å; E1191-K1196 VanDerWaalsContact CD-CE 3.49Å; E1191-K1196 HydrophobicContact CG-CG 4.01Å; E1191-K1196 WeakPolarHBondContact OE1-CE 3.21Å; E1191-K1196 IonicContact OE1-NZ 3.3Å; E1191-K1196 PolarHBondContact OE1-NZ 3.48Å; E1191-K1196 IonicContact OE2-NZ 3.13Å; E1191-K1196 PolarHBondContact OE2-NZ 2.92Å |
| 1197 | L | 88.4 | Confident | 84.7 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.9 | 171 | -173.7 | 63 | 0 | 0 | 0 | 108.3 | V1167 F1169 V1190 K1216 M1218 | V1167-L1197 HydrophobicContact CB-CD2 3.99Å; V1167-L1197 HydrophobicContact CG2-CD2 3.83Å; F1169-L1197 HydrophobicContact CE2-CD2 4.28Å; F1169-L1197 HydrophobicContact CE2-CG 4.19Å; F1169-L1197 HydrophobicContact CZ-CG 4.35Å; V1190-L1197 PolarHBondContact N-O 3.34Å; V1190-L1197 PolarHBondContact O-N 2.98Å; L1197-K1216 HydrophobicContact CD1-CB 3.94Å; L1197-K1216 HydrophobicContact CD2-CB 4.15Å; L1197-K1216 HydrophobicContact CG-CB 4.25Å; L1197-M1218 HydrophobicContact CB-CE 3.97Å; L1197-M1218 HydrophobicContact CB-CG 4.28Å; L1197-M1218 HydrophobicContact CB-SD 3.98Å; L1197-M1218 HydrophobicContact CD1-CB 4.34Å; L1197-M1218 HydrophobicContact CD1-CG 4.45Å; L1197-M1218 HydrophobicContact CD2-CG 4.32Å |
| 1198 | E | 91.6 | Very high | 84.2 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.5 | -170.3 | -50.2 | -161.6 | 135.4 | 0 | 0 | 112 | R1187 V1189 K1216 | R1187-E1198 IonicContact CZ-OE2 3.1Å; R1187-E1198 IonicContact NE-OE2 3.1Å; R1187-E1198 IonicContact NH1-OE2 2.73Å; R1187-E1198 PolarHBondContact NH1-OE2 3.43Å; R1187-E1198 IonicContact NH2-OE2 3.62Å; R1187-E1198 PolarHBondContact NH2-OE2 2.74Å; V1189-E1198 HydrophobicContact CB-CG 4.4Å; V1189-E1198 HydrophobicContact CG1-CG 4.07Å; V1189-E1198 HydrophobicContact CG2-CB 4.29Å; V1189-E1198 HydrophobicContact CG2-CG 3.85Å; V1189-E1198 VanDerWaalsContact CG2-OE1 3.27Å; V1189-E1198 WeakPolarHBondContact CG2-OE1 3.27Å; E1198-K1216 WeakPolarHBondContact O-CD 3.25Å; E1198-K1216 PolarHBondContact O-NZ 3.48Å |
| 1199 | S | 93.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 168.3 | 168.5 | 79.2 | 0 | 0 | 0 | 0 | 111.3 | R1187 V1188 F1211 | R1187-S1199 WeakPolarHBondContact CG-O 3.45Å; R1187-S1199 WeakPolarHBondContact CG-OG 3.32Å; R1187-S1199 PolarHBondContact NE-O 2.83Å; V1188-S1199 PolarHBondContact N-OG 3.15Å; V1188-S1199 PolarHBondContact O-N 2.86Å; V1188-S1199 PolarHBondContact O-OG 2.8Å; S1199-F1211 WeakPolarHBondContact OG-CD1 3.46Å; S1199-F1211 WeakPolarHBondContact OG-CE1 3.44Å |
| 1200 | E | 90.9 | Very high | 83.6 | Confident | 74 Ų | 74 | 42.4 Ų | 42.4 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 165.7 | 158.8 | -59.9 | -45.6 | 132.1 | 0 | 0 | 111.6 | F1211 T1213 K1216 | E1200-F1211 VanDerWaalsContact O-CD1 3.3Å; E1200-F1211 WeakPolarHBondContact O-CD1 3.5Å; E1200-F1211 WeakPolarHBondContact O-CE1 3.34Å; E1200-T1213 WeakPolarHBondContact CG-OG1 3.37Å; E1200-K1216 IonicContact OE1-NZ 2.7Å; E1200-K1216 PolarHBondContact OE1-NZ 2.59Å |
| 1201 | I | 90.5 | Very high | 83.6 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 119.6 | 170.5 | -61.2 | 170.1 | 0 | 0 | 0 | 108 | R1185 R1187 N1203 N1239 | R1185-I1201 HydrophobicContact CB-CG2 3.9Å; R1187-I1201 HydrophobicContact CB-CG1 4.15Å; R1187-I1201 HydrophobicContact CG-CG1 4.23Å; I1201-N1203 PolarHBondContact O-N 3.48Å; I1201-N1239 HydrophobicContact CD1-CB 4.06Å; I1201-N1239 HydrophobicContact CG1-CB 4.42Å; I1201-N1239 HydrophobicContact CG2-CB 4.01Å |
| 1202 | I | 88.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 125.3 | 171.2 | -74.9 | 172.4 | 0 | 0 | 0 | 108.6 | V1172 R1185 P1186 L1205 F1211 | V1172-I1202 HydrophobicContact CG2-CD1 4.22Å; R1185-I1202 WeakPolarHBondContact CA-O 3.23Å; R1185-I1202 WeakPolarHBondContact CB-O 3.41Å; P1186-I1202 HydrophobicContact CG-CB 4.13Å; P1186-I1202 HydrophobicContact CG-CD1 4.24Å; P1186-I1202 PolarHBondContact O-N 2.96Å; I1202-L1205 HydrophobicContact CD1-CD1 4.4Å; I1202-L1205 HydrophobicContact CG2-CB 4.29Å; I1202-L1205 HydrophobicContact CG2-CD1 4.35Å; I1202-F1211 HydrophobicContact CD1-CD1 3.79Å; I1202-F1211 HydrophobicContact CD1-CD2 4.19Å; I1202-F1211 HydrophobicContact CD1-CE1 3.55Å; I1202-F1211 HydrophobicContact CD1-CE2 3.99Å; I1202-F1211 HydrophobicContact CD1-CG 4.1Å; I1202-F1211 HydrophobicContact CD1-CZ 3.66Å; I1202-F1211 HydrophobicContact CG1-CD1 3.59Å; I1202-F1211 HydrophobicContact CG1-CE1 3.64Å; I1202-F1211 HydrophobicContact CG1-CG 4.19Å; I1202-F1211 HydrophobicContact CG1-CZ 4.29Å |
| 1203 | N | 83.9 | Confident | 83.9 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 49% | 0.492 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -74.5 | -33.8 | -170.4 | -84.1 | -54 | 0 | 0 | 0 | 114.2 | R1185 I1201 E1212 | R1185-N1203 WeakPolarHBondContact CG-O 3.34Å; R1185-N1203 PolarHBondContact NH2-OD1 2.9Å; I1201-N1203 PolarHBondContact O-N 3.48Å; N1203-E1212 PolarHBondContact ND2-OE1 3.19Å; N1203-E1212 VanDerWaalsContact ND2-OE1 3.07Å |
| 1204 | D | 84.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | trans | -155.6 | 102.5 | 168.1 | -171 | -20.1 | 0 | 0 | 0 | 110.6 | S1206 K1207 M1208 | D1204-S1206 PolarHBondContact O-N 2.86Å; D1204-S1206 VanDerWaalsContact O-N 3.11Å; D1204-S1206 WeakPolarHBondContact OD1-CB 3.14Å; D1204-S1206 PolarHBondContact OD1-N 3.2Å; D1204-S1206 PolarHBondContact OD1-OG 2.86Å; D1204-K1207 HydrophobicContact CB-CB 4.22Å; D1204-K1207 HydrophobicContact CB-CD 4.25Å; D1204-K1207 HydrophobicContact CB-CG 4.14Å; D1204-K1207 PolarHBondContact O-N 3.44Å; D1204-K1207 IonicContact OD2-NZ 3.11Å; D1204-K1207 PolarHBondContact OD2-NZ 2.91Å; D1204-M1208 PolarHBondContact O-N 3.01Å | ||
| 1205 | L | 85.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.1 | 179.8 | -171.3 | 68.9 | 0 | 0 | 0 | 112.8 | V1172 M1175 V1183 K1184 P1186 I1202 K1207 P1209 | V1172-L1205 HydrophobicContact CG2-CD1 3.91Å; M1175-L1205 HydrophobicContact CB-CD2 4.33Å; M1175-L1205 HydrophobicContact CG-CD2 4.12Å; V1183-L1205 HydrophobicContact CG1-CD2 4.15Å; K1184-L1205 WeakPolarHBondContact O-CB 3.27Å; K1184-L1205 PolarHBondContact O-N 3.46Å; P1186-L1205 HydrophobicContact CG-CB 4.39Å; P1186-L1205 HydrophobicContact CG-CD1 3.89Å; P1186-L1205 HydrophobicContact CG-CD2 4.13Å; P1186-L1205 HydrophobicContact CG-CG 4.37Å; I1202-L1205 HydrophobicContact CD1-CD1 4.4Å; I1202-L1205 HydrophobicContact CG2-CB 4.29Å; I1202-L1205 HydrophobicContact CG2-CD1 4.35Å; L1205-K1207 VanDerWaalsContact C-N 3.3Å; L1205-K1207 PolarHBondContact O-N 2.67Å; L1205-P1209 HydrophobicContact CD1-CB 3.56Å; L1205-P1209 HydrophobicContact CG-CB 4.49Å |
| 1206 | S | 80.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.1 | 178.9 | 74 | 0 | 0 | 0 | 0 | 114.2 | D1204 | D1204-S1206 PolarHBondContact O-N 2.86Å; D1204-S1206 VanDerWaalsContact O-N 3.11Å; D1204-S1206 WeakPolarHBondContact OD1-CB 3.14Å; D1204-S1206 PolarHBondContact OD1-N 3.2Å; D1204-S1206 PolarHBondContact OD1-OG 2.86Å |
| 1207 | K | 81.1 | Confident | 87 | Confident | 155 Ų | 155 | 47 Ų | 47 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -39.9 | 175.4 | -63.5 | -172 | -176.9 | 97.7 | 0 | 113.4 | D1204 L1205 | D1204-K1207 HydrophobicContact CB-CB 4.22Å; D1204-K1207 HydrophobicContact CB-CD 4.25Å; D1204-K1207 HydrophobicContact CB-CG 4.14Å; D1204-K1207 PolarHBondContact O-N 3.44Å; D1204-K1207 IonicContact OD2-NZ 3.11Å; D1204-K1207 PolarHBondContact OD2-NZ 2.91Å; L1205-K1207 VanDerWaalsContact C-N 3.3Å; L1205-K1207 PolarHBondContact O-N 2.67Å |
| 1208 | M | 82.5 | Confident | 87 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 38% | 0.384 | 25% | 0.246 | S | C | . | . | trans | -156.6 | 102.1 | -178.4 | 179.2 | 160.2 | 151.8 | 0 | 0 | 111.2 | D1204 L1210 K1639 | D1204-M1208 PolarHBondContact O-N 3.01Å; M1208-L1210 VanDerWaalsContact C-N 3.27Å; M1208-L1210 HydrophobicContact CE-CB 4Å; M1208-L1210 HydrophobicContact CE-CD1 4.13Å; M1208-L1210 HydrophobicContact CG-CB 4.28Å; M1208-L1210 PolarHBondContact O-N 2.92Å; M1208-L1210 VanDerWaalsContact O-N 3.07Å; M1208-K1639 VanDerWaalsContact SD-CE 3.54Å; M1208-K1639 PolarHBondContact SD-NZ 3.37Å | ||
| 1209 | P | 85.3 | Confident | 86.7 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -86.8 | 58.9 | -178.6 | 36.4 | -38.1 | 0 | 0 | 0 | 111.3 | S1171 L1205 P1702 M1703 | S1171-P1209 VanDerWaalsContact CB-O 3.25Å; S1171-P1209 WeakPolarHBondContact CB-O 3.41Å; S1171-P1209 PolarHBondContact OG-O 3.46Å; L1205-P1209 HydrophobicContact CD1-CB 3.56Å; L1205-P1209 HydrophobicContact CG-CB 4.49Å; P1209-P1702 HydrophobicContact CG-CB 4.49Å; P1209-P1702 HydrophobicContact CG-CG 4.03Å; P1209-M1703 WeakPolarHBondContact CD-SD 3.25Å; P1209-M1703 HydrophobicContact CG-SD 4.06Å | ||
| 1210 | L | 88 | Confident | 86.1 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | trans | -135.2 | 140.2 | 176.2 | -71 | 172 | 0 | 0 | 0 | 110.2 | W1170 M1208 A1638 P1702 | W1170-L1210 HydrophobicContact CD2-CD2 4.12Å; W1170-L1210 HydrophobicContact CG-CD2 4.3Å; W1170-L1210 HydrophobicContact CZ2-CD2 4.27Å; W1170-L1210 WeakPolarHBondContact O-CD2 3.26Å; M1208-L1210 VanDerWaalsContact C-N 3.27Å; M1208-L1210 HydrophobicContact CE-CB 4Å; M1208-L1210 HydrophobicContact CE-CD1 4.13Å; M1208-L1210 HydrophobicContact CG-CB 4.28Å; M1208-L1210 PolarHBondContact O-N 2.92Å; M1208-L1210 VanDerWaalsContact O-N 3.07Å; L1210-A1638 HydrophobicContact CD1-CB 4.07Å; L1210-P1702 HydrophobicContact CD1-CG 3.93Å; L1210-P1702 HydrophobicContact CD2-CG 3.96Å; L1210-P1702 HydrophobicContact CG-CG 3.75Å | ||
| 1211 | F | 89.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | trans | -78.4 | 140.4 | 171.6 | -60.3 | -78.6 | 0 | 0 | 0 | 110.8 | F1169 W1170 V1172 V1188 S1199 E1200 I1202 | F1169-F1211 HydrophobicContact CB-CB 4.36Å; F1169-F1211 HydrophobicContact CB-CD2 3.82Å; F1169-F1211 HydrophobicContact CB-CE2 4.4Å; F1169-F1211 HydrophobicContact CB-CG 4.16Å; F1169-F1211 WeakPolarHBondContact O-CD2 3.46Å; W1170-F1211 PolarHBondContact O-N 3.04Å; V1172-F1211 HydrophobicContact CG1-CE2 4.11Å; V1172-F1211 HydrophobicContact CG1-CZ 3.94Å; V1172-F1211 HydrophobicContact CG2-CZ 4.35Å; V1188-F1211 HydrophobicContact CG2-CZ 3.93Å; S1199-F1211 WeakPolarHBondContact OG-CD1 3.46Å; S1199-F1211 WeakPolarHBondContact OG-CE1 3.44Å; E1200-F1211 VanDerWaalsContact O-CD1 3.3Å; E1200-F1211 WeakPolarHBondContact O-CD1 3.5Å; E1200-F1211 WeakPolarHBondContact O-CE1 3.34Å; I1202-F1211 HydrophobicContact CD1-CD1 3.79Å; I1202-F1211 HydrophobicContact CD1-CD2 4.19Å; I1202-F1211 HydrophobicContact CD1-CE1 3.55Å; I1202-F1211 HydrophobicContact CD1-CE2 3.99Å; I1202-F1211 HydrophobicContact CD1-CG 4.1Å; I1202-F1211 HydrophobicContact CD1-CZ 3.66Å; I1202-F1211 HydrophobicContact CG1-CD1 3.59Å; I1202-F1211 HydrophobicContact CG1-CE1 3.64Å; I1202-F1211 HydrophobicContact CG1-CG 4.19Å; I1202-F1211 HydrophobicContact CG1-CZ 4.29Å | ||
| 1212 | E | 82.8 | Confident | 84.9 | Confident | 131 Ų | 131 | 41 Ų | 41 | 61% | 0.612 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -71 | -35.2 | -172 | -63.3 | 179.4 | -169.5 | 0 | 0 | 113 | N1203 P1214 | N1203-E1212 PolarHBondContact ND2-OE1 3.19Å; N1203-E1212 VanDerWaalsContact ND2-OE1 3.07Å; E1212-P1214 WeakPolarHBondContact O-CD 3.25Å |
| 1213 | T | 84.8 | Confident | 84.4 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 32% | 0.319 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -108.3 | 94.8 | 165.1 | 42.4 | 0 | 0 | 0 | 0 | 110 | E1200 L1215 K1216 | E1200-T1213 WeakPolarHBondContact CG-OG1 3.37Å; T1213-L1215 VanDerWaalsContact C-N 3.27Å; T1213-L1215 PolarHBondContact O-N 2.95Å; T1213-K1216 WeakPolarHBondContact OG1-CE 3.37Å |
| 1214 | P | 84.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | trans | -79.1 | -2.8 | -170.1 | 31.5 | -37.3 | 0 | 0 | 0 | 114.5 | M1168 F1169 W1170 E1212 M1634 | M1168-P1214 CarbonylContact C-O 3.6Å; M1168-P1214 VanDerWaalsContact C-O 3.32Å; M1168-P1214 WeakPolarHBondContact CA-O 3.44Å; M1168-P1214 WeakPolarHBondContact CG-O 3.44Å; F1169-P1214 PolarHBondContact N-O 3.36Å; F1169-P1214 VanDerWaalsContact O-CA 3.26Å; F1169-P1214 WeakPolarHBondContact O-CA 3.18Å; W1170-P1214 HydrophobicContact CE3-CB 4.42Å; E1212-P1214 WeakPolarHBondContact O-CD 3.25Å; P1214-M1634 HydrophobicContact CB-CE 4.45Å; P1214-M1634 HydrophobicContact CG-CE 4.03Å; P1214-M1634 HydrophobicContact CG-SD 4.01Å | ||
| 1215 | L | 90.2 | Very high | 82.9 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 126.6 | 176.4 | 176 | 60.1 | 0 | 0 | 0 | 109.8 | E1166 M1168 T1213 L1628 L1630 M1634 | E1166-L1215 HydrophobicContact CB-CD1 4.34Å; M1168-L1215 HydrophobicContact CB-CD1 4.39Å; T1213-L1215 VanDerWaalsContact C-N 3.27Å; T1213-L1215 PolarHBondContact O-N 2.95Å; L1215-L1628 HydrophobicContact CD1-CD1 4.39Å; L1215-L1628 HydrophobicContact CD2-CB 3.93Å; L1215-L1628 HydrophobicContact CD2-CD1 3.71Å; L1215-L1628 HydrophobicContact CD2-CG 4.47Å; L1215-L1628 HydrophobicContact CG-CD1 3.73Å; L1215-L1630 HydrophobicContact CD1-CB 3.84Å; L1215-L1630 HydrophobicContact CD1-CD1 4.05Å; L1215-L1630 HydrophobicContact CD2-CB 4.31Å; L1215-M1634 HydrophobicContact CB-CE 3.53Å; L1215-M1634 HydrophobicContact CD2-CE 4.07Å; L1215-M1634 HydrophobicContact CG-CE 4.42Å |
| 1216 | K | 90.8 | Very high | 82 | Confident | 47 Ų | 47 | 42 Ų | 42 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 154.4 | 173.5 | -58.7 | -171.7 | 177.7 | -171.5 | 0 | 109.8 | V1167 F1169 L1197 E1198 E1200 T1213 | V1167-K1216 PolarHBondContact N-O 3.1Å; V1167-K1216 PolarHBondContact O-N 2.92Å; F1169-K1216 HydrophobicContact CE2-CB 4.31Å; L1197-K1216 HydrophobicContact CD1-CB 3.94Å; L1197-K1216 HydrophobicContact CD2-CB 4.15Å; L1197-K1216 HydrophobicContact CG-CB 4.25Å; E1198-K1216 WeakPolarHBondContact O-CD 3.25Å; E1198-K1216 PolarHBondContact O-NZ 3.48Å; E1200-K1216 IonicContact OE1-NZ 2.7Å; E1200-K1216 PolarHBondContact OE1-NZ 2.59Å; T1213-K1216 WeakPolarHBondContact OG1-CE 3.37Å |
| 1217 | A | 89.7 | Confident | 81.2 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1165 E1166 L1628 | M1165-A1217 CarbonylContact O-C 3.6Å; M1165-A1217 VanDerWaalsContact O-CA 3.27Å; M1165-A1217 WeakPolarHBondContact O-CA 3.34Å; E1166-A1217 HydrophobicContact CG-CB 4.11Å; A1217-L1628 HydrophobicContact CB-CD1 4.25Å; A1217-L1628 HydrophobicContact CB-CD2 3.8Å |
| 1218 | M | 87.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.9 | 166.7 | 65.7 | 168.4 | 177.6 | 0 | 0 | 111.2 | M1165 I1192 H1195 L1197 V1220 | M1165-M1218 HydrophobicContact CE-CE 3.45Å; M1165-M1218 VanDerWaalsContact CE-CE 3.45Å; M1165-M1218 PolarHBondContact N-O 2.95Å; M1165-M1218 PolarHBondContact O-N 3.48Å; I1192-M1218 HydrophobicContact CG2-CE 3.8Å; H1195-M1218 HydrophobicContact CB-CE 3.91Å; H1195-M1218 HydrophobicContact CB-SD 4.02Å; L1197-M1218 HydrophobicContact CB-CE 3.97Å; L1197-M1218 HydrophobicContact CB-CG 4.28Å; L1197-M1218 HydrophobicContact CB-SD 3.98Å; L1197-M1218 HydrophobicContact CD1-CB 4.34Å; L1197-M1218 HydrophobicContact CD1-CG 4.45Å; L1197-M1218 HydrophobicContact CD2-CG 4.32Å; M1218-V1220 HydrophobicContact CE-CG1 3.83Å; M1218-V1220 HydrophobicContact CG-CG1 4.2Å; M1218-V1220 HydrophobicContact SD-CG1 4Å |
| 1219 | D | 85.4 | Confident | 80.4 | Confident | 29 Ų | 29 | 32 Ų | 32 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.1 | 173 | -70.4 | 0.8 | 0 | 0 | 0 | 109.9 | R1162 F1163 R1164 L1621 | R1162-D1219 HydrophobicContact CG-CB 4.43Å; R1162-D1219 IonicContact CZ-OD2 2.61Å; R1162-D1219 IonicContact NE-OD2 3.89Å; R1162-D1219 PolarHBondContact NE-OD2 3.12Å; R1162-D1219 IonicContact NH2-OD2 2.66Å; R1162-D1219 PolarHBondContact NH2-OD2 3.07Å; F1163-D1219 CarbonylContact O-C 3.57Å; F1163-D1219 WeakPolarHBondContact O-CA 3.5Å; R1164-D1219 WeakPolarHBondContact CB-OD1 3.29Å; R1164-D1219 VanDerWaalsContact CG-OD1 3.29Å; R1164-D1219 WeakPolarHBondContact CG-OD1 3.38Å; R1164-D1219 IonicContact CZ-OD1 2.93Å; R1164-D1219 IonicContact CZ-OD2 3.72Å; R1164-D1219 IonicContact NE-OD1 3.3Å; R1164-D1219 PolarHBondContact NE-OD1 3.11Å; R1164-D1219 IonicContact NE-OD2 3Å; R1164-D1219 IonicContact NH2-OD1 2.67Å; R1164-D1219 PolarHBondContact NH2-OD1 2.87Å; R1164-D1219 IonicContact NH2-OD2 2.61Å; R1164-D1219 PolarHBondContact NH2-OD2 3.41Å; D1219-L1621 HydrophobicContact CB-CD2 4.41Å; D1219-L1621 WeakPolarHBondContact OD1-CD2 3.3Å |
| 1220 | V | 80.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.7 | -176.2 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | F1163 I1192 H1195 M1218 L1222 | F1163-V1220 HydrophobicContact CB-CG2 4.41Å; F1163-V1220 PolarHBondContact N-O 2.83Å; F1163-V1220 PolarHBondContact O-N 3.2Å; I1192-V1220 HydrophobicContact CG2-CG1 4.15Å; H1195-V1220 HydrophobicContact CB-CG1 3.86Å; M1218-V1220 HydrophobicContact CE-CG1 3.83Å; M1218-V1220 HydrophobicContact CG-CG1 4.2Å; M1218-V1220 HydrophobicContact SD-CG1 4Å; V1220-L1222 HydrophobicContact CB-CD2 4.47Å; V1220-L1222 HydrophobicContact CB-CG 4.43Å; V1220-L1222 HydrophobicContact CG2-CD1 4.05Å; V1220-L1222 HydrophobicContact CG2-CD2 4.31Å; V1220-L1222 HydrophobicContact CG2-CG 3.93Å |
| 1221 | Y | 77.6 | Confident | 79.5 | Confident | 21 Ų | 21 | 31 Ų | 31 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 93.5 | 178.3 | -83.8 | -77.6 | 0 | 0 | 0 | 110.5 | K1133 M1136 L1160 Q1161 R1162 D1617 | K1133-Y1221 HydrophobicContact CB-CE1 4.47Å; K1133-Y1221 HydrophobicContact CB-CE2 4.39Å; K1133-Y1221 HydrophobicContact CD-CD1 4.36Å; K1133-Y1221 HydrophobicContact CD-CE1 3.76Å; K1133-Y1221 HydrophobicContact CG-CE1 3.91Å; K1133-Y1221 HydrophobicContact CG-CE2 4.26Å; M1136-Y1221 WeakPolarHBondContact CG-O 3.42Å; L1160-Y1221 HydrophobicContact CB-CD1 4.49Å; Q1161-Y1221 CarbonylContact O-C 3.53Å; Q1161-Y1221 WeakPolarHBondContact O-CA 3.39Å; R1162-Y1221 HydrophobicContact CB-CD1 4.17Å; R1162-Y1221 HydrophobicContact CB-CE1 3.57Å; R1162-Y1221 HydrophobicContact CG-CE1 4.24Å; R1162-Y1221 HydrophobicContact CG-CE2 4.49Å; Y1221-D1617 WeakPolarHBondContact CE1-OD1 3.45Å; Y1221-D1617 PolarHBondContact OH-OD1 3.12Å |
| 1222 | L | 79.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 155.2 | -177.6 | -56.9 | 176.9 | 0 | 0 | 0 | 111.7 | L1160 Q1161 F1163 I1192 V1220 W1229 P1230 | L1160-L1222 CarbonylContact C-O 3.59Å; L1160-L1222 WeakPolarHBondContact CA-O 3.32Å; Q1161-L1222 PolarHBondContact N-O 2.83Å; Q1161-L1222 PolarHBondContact O-N 3.31Å; F1163-L1222 HydrophobicContact CB-CD1 4.48Å; F1163-L1222 HydrophobicContact CD2-CB 3.79Å; F1163-L1222 HydrophobicContact CD2-CD1 4.29Å; F1163-L1222 HydrophobicContact CD2-CG 4.25Å; F1163-L1222 HydrophobicContact CE2-CB 4.06Å; F1163-L1222 HydrophobicContact CG-CD1 4.47Å; I1192-L1222 HydrophobicContact CD1-CD1 4.02Å; I1192-L1222 HydrophobicContact CD1-CD2 4.18Å; I1192-L1222 HydrophobicContact CG1-CD2 4.21Å; V1220-L1222 HydrophobicContact CB-CD2 4.47Å; V1220-L1222 HydrophobicContact CB-CG 4.43Å; V1220-L1222 HydrophobicContact CG2-CD1 4.05Å; V1220-L1222 HydrophobicContact CG2-CD2 4.31Å; V1220-L1222 HydrophobicContact CG2-CG 3.93Å; L1222-W1229 HydrophobicContact CB-CD2 4.47Å; L1222-W1229 HydrophobicContact CB-CZ2 4.32Å; L1222-W1229 HydrophobicContact CD1-CD2 3.98Å; L1222-W1229 HydrophobicContact CD1-CE3 4.11Å; L1222-W1229 HydrophobicContact CD1-CH2 4.07Å; L1222-W1229 HydrophobicContact CD1-CZ2 3.94Å; L1222-W1229 HydrophobicContact CD1-CZ3 4.15Å; L1222-P1230 HydrophobicContact CD2-CG 4.32Å |
| 1223 | P | 77.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 142.5 | 176 | -30.8 | 38.7 | 0 | 0 | 0 | 114.5 | M1136 P1158 P1159 L1160 D1225 W1229 | M1136-P1223 HydrophobicContact SD-CG 4.12Å; P1158-P1223 HydrophobicContact CB-CB 3.8Å; P1158-P1223 HydrophobicContact CB-CG 4.08Å; P1158-P1223 HydrophobicContact CG-CG 4.43Å; P1159-P1223 CarbonylContact O-C 3.59Å; P1159-P1223 WeakPolarHBondContact O-CA 3.5Å; L1160-P1223 HydrophobicContact CD2-CB 4.44Å; L1160-P1223 HydrophobicContact CD2-CG 3.91Å; P1223-D1225 VanDerWaalsContact C-N 3.33Å; P1223-D1225 PolarHBondContact O-N 2.83Å; P1223-W1229 PolarHBondContact O-NE1 2.74Å |
| 1224 | V | 70.7 | Confident | 79.4 | Confident | 80 Ų | 80 | 22.5 Ų | 22.5 | 49% | 0.485 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -68 | -31.7 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 112 | P1159 Q1161 E1226 | P1159-V1224 HydrophobicContact CG-CB 4.46Å; P1159-V1224 PolarHBondContact O-N 3.41Å; Q1161-V1224 HydrophobicContact CB-CG2 3.84Å; V1224-E1226 PolarHBondContact O-N 2.76Å |
| 1225 | D | 66.6 | Low | 79.6 | Confident | 42 Ų | 42 | 21.6 Ų | 21.6 | 23% | 0.225 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -89.1 | 104.2 | 168.1 | -174 | -23.2 | 0 | 0 | 0 | 108.8 | R703 P1223 R1227 Y1228 | R703-D1225 IonicContact CZ-OD2 3.26Å; R703-D1225 IonicContact NH2-OD2 2.68Å; R703-D1225 PolarHBondContact NH2-OD2 2.61Å; P1223-D1225 VanDerWaalsContact C-N 3.33Å; P1223-D1225 PolarHBondContact O-N 2.83Å; D1225-R1227 PolarHBondContact O-N 2.81Å; D1225-R1227 WeakPolarHBondContact OD1-CB 3.49Å; D1225-R1227 VanDerWaalsContact OD1-CG 3.23Å; D1225-R1227 WeakPolarHBondContact OD1-CG 3.15Å; D1225-R1227 IonicContact OD1-CZ 3.97Å; D1225-R1227 PolarHBondContact OD1-N 2.77Å; D1225-R1227 IonicContact OD1-NE 2.87Å; D1225-R1227 PolarHBondContact OD1-NE 2.97Å; D1225-R1227 IonicContact OD1-NH2 2.7Å; D1225-R1227 IonicContact OD2-CZ 3.16Å; D1225-R1227 IonicContact OD2-NE 2.79Å; D1225-R1227 PolarHBondContact OD2-NE 3.47Å; D1225-R1227 VanDerWaalsContact OD2-NE 3.1Å; D1225-R1227 IonicContact OD2-NH2 3.3Å; D1225-R1227 PolarHBondContact OD2-NH2 2.85Å; D1225-Y1228 HydrophobicContact CB-CD2 3.82Å; D1225-Y1228 HydrophobicContact CB-CE2 3.83Å; D1225-Y1228 PolarHBondContact O-N 3.5Å |
| 1226 | E | 66.3 | Low | 79.6 | Confident | 47 Ų | 47 | 21.3 Ų | 21.3 | 22% | 0.22 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -53 | -20.2 | -175.1 | -58.8 | 170.8 | -99.9 | 0 | 0 | 113.9 | V1224 Y1228 W1229 R1257 L1260 | V1224-E1226 PolarHBondContact O-N 2.76Å; E1226-Y1228 PolarHBondContact O-N 3.35Å; E1226-W1229 HydrophobicContact CG-CZ2 4.42Å; E1226-W1229 WeakPolarHBondContact O-CB 3.42Å; E1226-W1229 PolarHBondContact O-N 3.19Å; E1226-W1229 VanDerWaalsContact O-N 3.07Å; E1226-R1257 VanDerWaalsContact CD-NH2 3.29Å; E1226-R1257 IonicContact OE1-CZ 3.52Å; E1226-R1257 IonicContact OE1-NH1 3.63Å; E1226-R1257 PolarHBondContact OE1-NH1 2.82Å; E1226-R1257 IonicContact OE1-NH2 2.64Å; E1226-R1257 PolarHBondContact OE1-NH2 3.43Å; E1226-R1257 WeakPolarHBondContact OE2-CD 3.37Å; E1226-R1257 VanDerWaalsContact OE2-CG 3.3Å; E1226-R1257 WeakPolarHBondContact OE2-CG 3.36Å; E1226-R1257 IonicContact OE2-CZ 3.49Å; E1226-R1257 IonicContact OE2-NE 3.31Å; E1226-R1257 PolarHBondContact OE2-NE 3.22Å; E1226-R1257 IonicContact OE2-NH1 2.77Å; E1226-R1257 PolarHBondContact OE2-NH1 2.7Å; E1226-R1257 IonicContact OE2-NH2 3.26Å; E1226-R1257 PolarHBondContact OE2-NH2 3.29Å; E1226-L1260 WeakPolarHBondContact OE2-CD2 3.41Å |
| 1227 | R | 64.8 | Low | 79.6 | Confident | 64 Ų | 64 | 20.3 Ų | 20.3 | 24% | 0.242 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -67.4 | -17.8 | 177.2 | -57.3 | 176.8 | -54.9 | 125.6 | 8.9 | 113.8 | E194 W1018 D1225 | E194-R1227 IonicContact OE1-NH1 3.53Å; E194-R1227 IonicContact OE1-NH2 3.12Å; E194-R1227 IonicContact OE2-CZ 2.83Å; E194-R1227 IonicContact OE2-NH1 2.71Å; E194-R1227 PolarHBondContact OE2-NH1 2.85Å; E194-R1227 IonicContact OE2-NH2 2.69Å; W1018-R1227 PolarHBondContact NE1-O 2.81Å; D1225-R1227 PolarHBondContact O-N 2.81Å; D1225-R1227 WeakPolarHBondContact OD1-CB 3.49Å; D1225-R1227 VanDerWaalsContact OD1-CG 3.23Å; D1225-R1227 WeakPolarHBondContact OD1-CG 3.15Å; D1225-R1227 IonicContact OD1-CZ 3.97Å; D1225-R1227 PolarHBondContact OD1-N 2.77Å; D1225-R1227 IonicContact OD1-NE 2.87Å; D1225-R1227 PolarHBondContact OD1-NE 2.97Å; D1225-R1227 IonicContact OD1-NH2 2.7Å; D1225-R1227 IonicContact OD2-CZ 3.16Å; D1225-R1227 IonicContact OD2-NE 2.79Å; D1225-R1227 PolarHBondContact OD2-NE 3.47Å; D1225-R1227 VanDerWaalsContact OD2-NE 3.1Å; D1225-R1227 IonicContact OD2-NH2 3.3Å; D1225-R1227 PolarHBondContact OD2-NH2 2.85Å |
| 1228 | Y | 70.4 | Confident | 79.6 | Confident | 26 Ų | 26 | 19 Ų | 19 | 10% | 0.102 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -97.7 | 6.1 | 174 | -50.8 | -64.2 | 0 | 0 | 0 | 112.7 | L1032 P1158 D1225 E1226 | L1032-Y1228 HydrophobicContact CD1-CD1 4.02Å; L1032-Y1228 HydrophobicContact CD1-CE1 4.13Å; L1032-Y1228 HydrophobicContact CD2-CD1 3.77Å; L1032-Y1228 HydrophobicContact CD2-CG 4.47Å; P1158-Y1228 HydrophobicContact CB-CD2 3.86Å; P1158-Y1228 HydrophobicContact CB-CE2 4.46Å; P1158-Y1228 HydrophobicContact CB-CG 4.35Å; P1158-Y1228 HydrophobicContact CG-CD1 4.5Å; P1158-Y1228 HydrophobicContact CG-CD2 3.83Å; P1158-Y1228 HydrophobicContact CG-CE2 4.42Å; P1158-Y1228 HydrophobicContact CG-CG 3.87Å; D1225-Y1228 HydrophobicContact CB-CD2 3.82Å; D1225-Y1228 HydrophobicContact CB-CE2 3.83Å; D1225-Y1228 PolarHBondContact O-N 3.5Å; E1226-Y1228 PolarHBondContact O-N 3.35Å |
| 1229 | W | 76.5 | Confident | 79.6 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 134.5 | 174.1 | -76.9 | 18.6 | 0 | 0 | 0 | 109.9 | F1163 L1222 P1223 E1226 A1256 L1260 I1612 | F1163-W1229 HydrophobicContact CD1-CH2 4.22Å; F1163-W1229 HydrophobicContact CD1-CZ2 4.16Å; F1163-W1229 HydrophobicContact CD2-CZ2 4.31Å; F1163-W1229 HydrophobicContact CE1-CH2 4.15Å; F1163-W1229 AromaticContact CE1-CZ2 3.8Å; F1163-W1229 HydrophobicContact CE1-CZ2 3.8Å; F1163-W1229 AromaticContact CE2-CZ2 3.95Å; F1163-W1229 HydrophobicContact CE2-CZ2 3.95Å; F1163-W1229 HydrophobicContact CG-CZ2 4.42Å; F1163-W1229 HydrophobicContact CZ-CH2 4.5Å; F1163-W1229 AromaticContact CZ-CZ2 3.7Å; F1163-W1229 HydrophobicContact CZ-CZ2 3.7Å; L1222-W1229 HydrophobicContact CB-CD2 4.47Å; L1222-W1229 HydrophobicContact CB-CZ2 4.32Å; L1222-W1229 HydrophobicContact CD1-CD2 3.98Å; L1222-W1229 HydrophobicContact CD1-CE3 4.11Å; L1222-W1229 HydrophobicContact CD1-CH2 4.07Å; L1222-W1229 HydrophobicContact CD1-CZ2 3.94Å; L1222-W1229 HydrophobicContact CD1-CZ3 4.15Å; P1223-W1229 PolarHBondContact O-NE1 2.74Å; E1226-W1229 HydrophobicContact CG-CZ2 4.42Å; E1226-W1229 WeakPolarHBondContact O-CB 3.42Å; E1226-W1229 PolarHBondContact O-N 3.19Å; E1226-W1229 VanDerWaalsContact O-N 3.07Å; W1229-A1256 HydrophobicContact CE3-CB 4.03Å; W1229-A1256 HydrophobicContact CZ3-CB 4.5Å; W1229-L1260 HydrophobicContact CH2-CD1 4.24Å; W1229-L1260 HydrophobicContact CH2-CD2 4.15Å; W1229-I1612 HydrophobicContact CH2-CG2 3.9Å; W1229-I1612 HydrophobicContact CZ3-CD1 4.23Å; W1229-I1612 HydrophobicContact CZ3-CG2 4.18Å |
| 1230 | P | 74.4 | Confident | 79.6 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 153.8 | 170 | 30.7 | -34.7 | 0 | 0 | 0 | 109.5 | I916 M1136 I1192 L1222 | I916-P1230 HydrophobicContact CD1-CB 3.88Å; M1136-P1230 HydrophobicContact CE-CB 4.02Å; M1136-P1230 HydrophobicContact CE-CG 3.69Å; M1136-P1230 HydrophobicContact SD-CG 4.29Å; I1192-P1230 HydrophobicContact CG1-CG 3.77Å; L1222-P1230 HydrophobicContact CD2-CG 4.32Å |
| 1231 | P | 78.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 159.3 | 168.7 | 31.9 | -36.8 | 0 | 0 | 0 | 110.3 | R918 S952 T1252 I1253 | R918-P1231 HydrophobicContact CB-CG 3.95Å; S952-P1231 WeakPolarHBondContact OG-CG 3.45Å; P1231-T1252 HydrophobicContact CB-CG2 3.91Å; P1231-I1253 WeakPolarHBondContact CA-O 3.37Å |
| 1232 | L | 85.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.3 | 179.2 | 174.6 | 74.8 | 0 | 0 | 0 | 109.1 | M1165 V1190 E1191 I1192 F1234 I1253 A1256 L1610 | M1165-L1232 HydrophobicContact CE-CD1 4.17Å; M1165-L1232 HydrophobicContact SD-CD1 3.85Å; V1190-L1232 HydrophobicContact CG1-CD1 3.49Å; V1190-L1232 VanDerWaalsContact CG1-CD1 3.49Å; V1190-L1232 HydrophobicContact CG1-CG 4.26Å; E1191-L1232 WeakPolarHBondContact O-CA 3.38Å; I1192-L1232 HydrophobicContact CB-CD1 3.72Å; I1192-L1232 HydrophobicContact CD1-CD1 4.28Å; I1192-L1232 HydrophobicContact CG1-CD1 4.4Å; I1192-L1232 HydrophobicContact CG2-CD1 4.33Å; L1232-F1234 HydrophobicContact CD2-CE2 3.73Å; L1232-F1234 HydrophobicContact CD2-CZ 4.44Å; L1232-F1234 HydrophobicContact CG-CD2 4.4Å; L1232-F1234 HydrophobicContact CG-CE2 3.88Å; L1232-I1253 HydrophobicContact CB-CB 4.17Å; L1232-I1253 HydrophobicContact CB-CG2 4.41Å; L1232-I1253 HydrophobicContact CD2-CD1 4.09Å; L1232-I1253 PolarHBondContact N-O 2.9Å; L1232-I1253 PolarHBondContact O-N 3.33Å; L1232-A1256 HydrophobicContact CB-CB 4.05Å; L1232-L1610 HydrophobicContact CD2-CD2 3.2Å |
| 1233 | V | 81.8 | Confident | 78.9 | Confident | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.5 | -172.3 | -173 | 0 | 0 | 0 | 0 | 110.4 | V1190 E1191 H1251 T1252 | V1190-V1233 CarbonylContact C-O 3.43Å; V1190-V1233 WeakPolarHBondContact CA-O 3.24Å; E1191-V1233 PolarHBondContact N-O 2.84Å; E1191-V1233 PolarHBondContact O-N 3.31Å; V1233-H1251 CarbonylContact C-O 3.51Å; V1233-H1251 WeakPolarHBondContact CA-O 3.49Å; V1233-T1252 HydrophobicContact CG2-CG2 4.28Å |
| 1234 | F | 89.2 | Confident | 78.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.7 | 170 | -71.2 | -114.9 | 0 | 0 | 0 | 108.1 | V1167 V1188 V1189 V1190 L1232 S1250 H1251 I1253 L1585 F1587 F1606 | V1167-F1234 HydrophobicContact CG1-CE1 4.37Å; V1188-F1234 HydrophobicContact CG1-CD1 4.18Å; V1189-F1234 CarbonylContact O-C 3.24Å; V1189-F1234 WeakPolarHBondContact O-CA 3.46Å; V1190-F1234 HydrophobicContact CB-CE1 4.49Å; V1190-F1234 HydrophobicContact CG1-CD2 4.36Å; V1190-F1234 HydrophobicContact CG1-CE1 4.28Å; V1190-F1234 HydrophobicContact CG1-CE2 4.01Å; V1190-F1234 HydrophobicContact CG1-CZ 3.96Å; V1190-F1234 HydrophobicContact CG2-CD1 3.45Å; V1190-F1234 VanDerWaalsContact CG2-CD1 3.45Å; V1190-F1234 HydrophobicContact CG2-CE1 3.39Å; V1190-F1234 HydrophobicContact CG2-CE2 4.48Å; V1190-F1234 HydrophobicContact CG2-CG 4.03Å; V1190-F1234 HydrophobicContact CG2-CZ 3.95Å; L1232-F1234 HydrophobicContact CD2-CE2 3.73Å; L1232-F1234 HydrophobicContact CD2-CZ 4.44Å; L1232-F1234 HydrophobicContact CG-CD2 4.4Å; L1232-F1234 HydrophobicContact CG-CE2 3.88Å; F1234-S1250 CarbonylContact O-C 3.57Å; F1234-S1250 WeakPolarHBondContact O-CA 3.26Å; F1234-H1251 HydrophobicContact CB-CB 4.33Å; F1234-H1251 PolarHBondContact N-O 2.94Å; F1234-H1251 PolarHBondContact O-N 3.15Å; F1234-I1253 HydrophobicContact CD2-CD1 4.41Å; F1234-I1253 HydrophobicContact CE2-CD1 3.89Å; F1234-L1585 HydrophobicContact CD1-CD1 4.29Å; F1234-L1585 HydrophobicContact CD2-CD1 4.01Å; F1234-L1585 HydrophobicContact CE1-CD1 4.2Å; F1234-L1585 HydrophobicContact CE2-CD1 3.91Å; F1234-L1585 HydrophobicContact CG-CD1 4.23Å; F1234-L1585 HydrophobicContact CZ-CD1 4.02Å; F1234-F1587 HydrophobicContact CB-CE1 4.03Å; F1234-F1606 AromaticContact CD1-CD1 3.81Å; F1234-F1606 HydrophobicContact CD1-CD1 3.81Å; F1234-F1606 AromaticContact CD1-CE1 3.83Å; F1234-F1606 HydrophobicContact CD1-CE1 3.83Å; F1234-F1606 HydrophobicContact CD1-CG 4.31Å; F1234-F1606 HydrophobicContact CD1-CZ 4.34Å; F1234-F1606 AromaticContact CE1-CD1 3.82Å; F1234-F1606 HydrophobicContact CE1-CD1 3.82Å; F1234-F1606 AromaticContact CE1-CE1 3.4Å; F1234-F1606 HydrophobicContact CE1-CE1 3.4Å; F1234-F1606 AromaticContact CE1-CZ 3.96Å; F1234-F1606 HydrophobicContact CE1-CZ 3.96Å; F1234-F1606 HydrophobicContact CZ-CE1 4.4Å |
| 1235 | T | 87.5 | Confident | 79.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | V1188 V1189 F1237 T1247 | V1188-T1235 WeakPolarHBondContact CA-O 3.43Å; V1189-T1235 PolarHBondContact N-O 3.17Å; V1189-T1235 PolarHBondContact O-N 2.7Å; T1235-F1237 HydrophobicContact CG2-CD2 4.34Å; T1235-F1237 HydrophobicContact CG2-CE1 3.97Å; T1235-F1237 HydrophobicContact CG2-CE2 3.65Å; T1235-F1237 HydrophobicContact CG2-CZ 3.44Å; T1235-F1237 VanDerWaalsContact CG2-CZ 3.44Å; T1235-T1247 HydrophobicContact CG2-CG2 3.97Å |
| 1236 | C | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.2 | 179.3 | -157.3 | 0 | 0 | 0 | 0 | 111.8 | M1175 R1187 V1188 I1248 G1249 F1587 | M1175-C1236 HydrophobicContact CE-CB 4.5Å; R1187-C1236 CarbonylContact O-C 3.45Å; R1187-C1236 WeakPolarHBondContact O-CA 3.36Å; V1188-C1236 HydrophobicContact CG2-CB 4.4Å; C1236-I1248 HydrophobicContact CB-CB 4.25Å; C1236-I1248 HydrophobicContact CB-CD1 4.16Å; C1236-I1248 PolarHBondContact O-N 3.25Å; C1236-G1249 PolarHBondContact N-O 3.09Å; C1236-F1587 HydrophobicContact CB-CD1 4.1Å; C1236-F1587 HydrophobicContact CB-CD2 3.98Å; C1236-F1587 HydrophobicContact CB-CE1 3.79Å; C1236-F1587 HydrophobicContact CB-CE2 3.65Å; C1236-F1587 HydrophobicContact CB-CG 4.19Å; C1236-F1587 HydrophobicContact CB-CZ 3.54Å |
| 1237 | F | 90 | Very high | 80.8 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 11% | 0.114 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.6 | -178.8 | -56 | -87.4 | 0 | 0 | 0 | 112.1 | P1186 R1187 V1189 T1235 N1239 K1245 I1246 T1247 | P1186-F1237 CarbonylContact C-O 3.13Å; P1186-F1237 WeakPolarHBondContact CA-O 3.28Å; R1187-F1237 PolarHBondContact N-O 3.24Å; R1187-F1237 PolarHBondContact O-N 3.34Å; V1189-F1237 HydrophobicContact CB-CE2 4.05Å; V1189-F1237 HydrophobicContact CG2-CD2 3.98Å; V1189-F1237 HydrophobicContact CG2-CE2 3.68Å; T1235-F1237 HydrophobicContact CG2-CD2 4.34Å; T1235-F1237 HydrophobicContact CG2-CE1 3.97Å; T1235-F1237 HydrophobicContact CG2-CE2 3.65Å; T1235-F1237 HydrophobicContact CG2-CZ 3.44Å; T1235-F1237 VanDerWaalsContact CG2-CZ 3.44Å; F1237-N1239 PolarHBondContact O-ND2 2.78Å; F1237-K1245 HydrophobicContact CB-CD 4.4Å; F1237-K1245 HydrophobicContact CB-CG 3.88Å; F1237-K1245 HydrophobicContact CD1-CD 4.26Å; F1237-K1245 HydrophobicContact CD1-CG 4.06Å; F1237-K1245 HydrophobicContact CG-CD 4.33Å; F1237-K1245 HydrophobicContact CG-CG 4.18Å; F1237-I1246 CarbonylContact C-O 3.45Å; F1237-I1246 VanDerWaalsContact CA-O 3.24Å; F1237-I1246 WeakPolarHBondContact CA-O 3.46Å; F1237-T1247 HydrophobicContact CD1-CG2 4.39Å; F1237-T1247 HydrophobicContact CE1-CG2 4.2Å; F1237-T1247 WeakPolarHBondContact CE1-OG1 3.49Å |
| 1238 | D | 90 | Very high | 81.7 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.2 | 171.9 | -167.9 | 30.5 | 0 | 0 | 0 | 109.5 | V1183 K1184 R1185 R1240 I1246 I1248 | V1183-D1238 HydrophobicContact CG1-CB 4.2Å; K1184-D1238 PolarHBondContact N-OD1 2.73Å; R1185-D1238 PolarHBondContact N-OD1 2.85Å; D1238-R1240 PolarHBondContact O-N 2.87Å; D1238-R1240 IonicContact OD2-CZ 3.51Å; D1238-R1240 IonicContact OD2-NE 2.71Å; D1238-R1240 PolarHBondContact OD2-NE 2.77Å; D1238-R1240 IonicContact OD2-NH2 3.43Å; D1238-R1240 PolarHBondContact OD2-NH2 3.39Å; D1238-I1246 PolarHBondContact N-O 3.15Å; D1238-I1246 PolarHBondContact O-N 3.4Å; D1238-I1248 HydrophobicContact CB-CD1 4.02Å; D1238-I1248 HydrophobicContact CB-CG1 4.11Å |
| 1239 | N | 88.7 | Confident | 82.3 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 80.8 | -172.8 | -55.7 | -92.8 | 0 | 0 | 0 | 109.8 | R1185 R1187 I1201 F1237 | R1185-N1239 HydrophobicContact CB-CB 4.35Å; R1185-N1239 VanDerWaalsContact CB-O 3.29Å; R1185-N1239 WeakPolarHBondContact CB-O 3.36Å; R1185-N1239 WeakPolarHBondContact CD-O 3.29Å; R1185-N1239 PolarHBondContact NH1-O 2.93Å; R1185-N1239 PolarHBondContact O-N 3.3Å; R1185-N1239 PolarHBondContact O-ND2 3.28Å; R1187-N1239 VanDerWaalsContact CB-ND2 3.29Å; R1187-N1239 WeakPolarHBondContact CB-ND2 3.34Å; I1201-N1239 HydrophobicContact CD1-CB 4.06Å; I1201-N1239 HydrophobicContact CG1-CB 4.42Å; I1201-N1239 HydrophobicContact CG2-CB 4.01Å; F1237-N1239 PolarHBondContact O-ND2 2.78Å |
| 1240 | R | 83.9 | Confident | 82.7 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 18% | 0.177 | 21% | 0.206 | C | C | . | . | trans | -72.8 | 179.7 | -173.8 | -59.8 | -174.2 | 172.5 | 178.7 | -1.2 | 111.6 | Q1178 D1238 T1244 | Q1178-R1240 PolarHBondContact O-NH1 3.02Å; Q1178-R1240 PolarHBondContact O-NH2 2.78Å; D1238-R1240 PolarHBondContact O-N 2.87Å; D1238-R1240 IonicContact OD2-CZ 3.51Å; D1238-R1240 IonicContact OD2-NE 2.71Å; D1238-R1240 PolarHBondContact OD2-NE 2.77Å; D1238-R1240 IonicContact OD2-NH2 3.43Å; D1238-R1240 PolarHBondContact OD2-NH2 3.39Å; R1240-T1244 WeakPolarHBondContact CB-O 3.34Å; R1240-T1244 PolarHBondContact N-O 3.16Å | ||
| 1241 | I | 77.8 | Confident | 83.2 | Confident | 144 Ų | 144 | 36.9 Ų | 36.9 | 74% | 0.738 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -58.9 | 160.3 | 173.8 | 58.9 | 175.1 | 0 | 0 | 0 | 111.4 | G1243 T1244 | I1241-G1243 VanDerWaalsContact C-N 3.29Å; I1241-G1243 PolarHBondContact O-N 3.34Å; I1241-T1244 WeakPolarHBondContact O-CB 3.47Å; I1241-T1244 PolarHBondContact O-N 2.97Å; I1241-T1244 PolarHBondContact O-OG1 3.1Å |
| 1242 | L | 75.5 | Confident | 83.2 | Confident | 168 Ų | 168 | 37.9 Ų | 37.9 | 88% | 0.88 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 43 | 179.5 | -52.9 | 176.4 | 0 | 0 | 0 | 112.9 | T1244 | L1242-T1244 PolarHBondContact O-N 3.47Å; L1242-T1244 PolarHBondContact O-OG1 3.04Å |
| 1243 | G | 69.5 | Low | 83 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 77% | 0.773 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 0.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I1241 K1245 | I1241-G1243 VanDerWaalsContact C-N 3.29Å; I1241-G1243 PolarHBondContact O-N 3.34Å; G1243-K1245 PolarHBondContact O-N 2.86Å; G1243-K1245 VanDerWaalsContact O-N 3.1Å |
| 1244 | T | 76.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 41.2 Ų | 41.2 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | trans | -69.3 | 109.3 | -169.4 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | R1240 I1241 L1242 I1246 | R1240-T1244 WeakPolarHBondContact CB-O 3.34Å; R1240-T1244 PolarHBondContact N-O 3.16Å; I1241-T1244 WeakPolarHBondContact O-CB 3.47Å; I1241-T1244 PolarHBondContact O-N 2.97Å; I1241-T1244 PolarHBondContact O-OG1 3.1Å; L1242-T1244 PolarHBondContact O-N 3.47Å; L1242-T1244 PolarHBondContact O-OG1 3.04Å; T1244-I1246 HydrophobicContact CG2-CD1 4.35Å; T1244-I1246 HydrophobicContact CG2-CG1 4.18Å | ||
| 1245 | K | 78.7 | Confident | 81.7 | Confident | 102 Ų | 102 | 44.2 Ų | 44.2 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.6 | -178.8 | -176.2 | -179 | 176.3 | -177 | 0 | 110.7 | F1237 G1243 | F1237-K1245 HydrophobicContact CB-CD 4.4Å; F1237-K1245 HydrophobicContact CB-CG 3.88Å; F1237-K1245 HydrophobicContact CD1-CD 4.26Å; F1237-K1245 HydrophobicContact CD1-CG 4.06Å; F1237-K1245 HydrophobicContact CG-CD 4.33Å; F1237-K1245 HydrophobicContact CG-CG 4.18Å; G1243-K1245 PolarHBondContact O-N 2.86Å; G1243-K1245 VanDerWaalsContact O-N 3.1Å |
| 1246 | I | 82.6 | Confident | 81.3 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.1 | -178.3 | -63.4 | -179.8 | 0 | 0 | 0 | 110.6 | F1237 D1238 T1244 I1248 | F1237-I1246 CarbonylContact C-O 3.45Å; F1237-I1246 VanDerWaalsContact CA-O 3.24Å; F1237-I1246 WeakPolarHBondContact CA-O 3.46Å; D1238-I1246 PolarHBondContact N-O 3.15Å; D1238-I1246 PolarHBondContact O-N 3.4Å; T1244-I1246 HydrophobicContact CG2-CD1 4.35Å; T1244-I1246 HydrophobicContact CG2-CG1 4.18Å; I1246-I1248 PolarHBondContact O-N 2.79Å |
| 1247 | T | 82.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 48 Ų | 48 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.4 | 172.4 | -48.6 | 0 | 0 | 0 | 0 | 110.4 | T1235 F1237 | T1235-T1247 HydrophobicContact CG2-CG2 3.97Å; F1237-T1247 HydrophobicContact CD1-CG2 4.39Å; F1237-T1247 HydrophobicContact CE1-CG2 4.2Å; F1237-T1247 WeakPolarHBondContact CE1-OG1 3.49Å |
| 1248 | I | 84.1 | Confident | 79.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -43.6 | 179 | -58.9 | 160.5 | 0 | 0 | 0 | 109.8 | M1175 Q1178 V1183 P1186 C1236 D1238 I1246 T1603 | M1175-I1248 HydrophobicContact SD-CD1 4.35Å; M1175-I1248 HydrophobicContact SD-CG2 3.75Å; Q1178-I1248 HydrophobicContact CG-CG1 4.35Å; Q1178-I1248 HydrophobicContact CG-CG2 4.3Å; Q1178-I1248 PolarHBondContact NE2-O 3.44Å; Q1178-I1248 VanDerWaalsContact NE2-O 3.12Å; V1183-I1248 HydrophobicContact CB-CD1 4.46Å; V1183-I1248 HydrophobicContact CG1-CD1 3.66Å; V1183-I1248 HydrophobicContact CG2-CD1 3.88Å; V1183-I1248 HydrophobicContact CG2-CG1 3.98Å; V1183-I1248 HydrophobicContact CG2-CG2 4.38Å; P1186-I1248 HydrophobicContact CB-CD1 4.38Å; C1236-I1248 HydrophobicContact CB-CB 4.25Å; C1236-I1248 HydrophobicContact CB-CD1 4.16Å; C1236-I1248 PolarHBondContact O-N 3.25Å; D1238-I1248 HydrophobicContact CB-CD1 4.02Å; D1238-I1248 HydrophobicContact CB-CG1 4.11Å; I1246-I1248 PolarHBondContact O-N 2.79Å; I1248-T1603 WeakPolarHBondContact O-CB 3.49Å; I1248-T1603 WeakPolarHBondContact O-CG2 3.29Å; I1248-T1603 PolarHBondContact O-OG1 2.86Å; I1248-T1603 VanDerWaalsContact O-OG1 3.12Å |
| 1249 | G | 84 | Confident | 79.5 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1236 Y1588 | C1236-G1249 PolarHBondContact N-O 3.09Å; G1249-Y1588 CarbonylContact C-O 3.52Å; G1249-Y1588 WeakPolarHBondContact CA-O 3.36Å |
| 1250 | S | 84.3 | Confident | 79.2 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.7 | -178.6 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | F1234 Y1588 | F1234-S1250 CarbonylContact O-C 3.57Å; F1234-S1250 WeakPolarHBondContact O-CA 3.26Å; S1250-Y1588 PolarHBondContact N-O 3.38Å; S1250-Y1588 PolarHBondContact O-N 3.36Å |
| 1251 | H | 85.1 | Confident | 78.8 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 7% | 0.069 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.3 | 176.1 | -175.6 | 91.4 | 0 | 0 | 0 | 109 | V1233 F1234 P1586 F1587 Y1588 | V1233-H1251 CarbonylContact C-O 3.51Å; V1233-H1251 WeakPolarHBondContact CA-O 3.49Å; F1234-H1251 HydrophobicContact CB-CB 4.33Å; F1234-H1251 PolarHBondContact N-O 2.94Å; F1234-H1251 PolarHBondContact O-N 3.15Å; H1251-P1586 WeakPolarHBondContact CB-O 3.14Å; H1251-P1586 PolarHBondContact ND1-O 3.37Å; H1251-F1587 HydrophobicContact CB-CD1 4.44Å; H1251-Y1588 AromaticContact ND1-CE2 3.89Å |
| 1252 | T | 78.4 | Confident | 78.1 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 16% | 0.16 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111.5 | -175.6 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | P1231 V1233 S1254 | P1231-T1252 HydrophobicContact CB-CG2 3.91Å; V1233-T1252 HydrophobicContact CG2-CG2 4.28Å; T1252-S1254 PolarHBondContact O-N 2.85Å |
| 1253 | I | 81.9 | Confident | 76.8 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 99 | 164.8 | -72.3 | 155.8 | 0 | 0 | 0 | 106.8 | P1231 L1232 F1234 N1255 Y1259 L1585 | P1231-I1253 WeakPolarHBondContact CA-O 3.37Å; L1232-I1253 HydrophobicContact CB-CB 4.17Å; L1232-I1253 HydrophobicContact CB-CG2 4.41Å; L1232-I1253 HydrophobicContact CD2-CD1 4.09Å; L1232-I1253 PolarHBondContact N-O 2.9Å; L1232-I1253 PolarHBondContact O-N 3.33Å; F1234-I1253 HydrophobicContact CD2-CD1 4.41Å; F1234-I1253 HydrophobicContact CE2-CD1 3.89Å; I1253-N1255 PolarHBondContact O-N 3.02Å; I1253-Y1259 HydrophobicContact CD1-CE2 3.69Å; I1253-Y1259 WeakPolarHBondContact CD1-OH 3.37Å; I1253-Y1259 HydrophobicContact CG1-CE2 4.13Å; I1253-Y1259 HydrophobicContact CG2-CD2 4.2Å; I1253-Y1259 HydrophobicContact CG2-CE2 3.67Å; I1253-L1585 HydrophobicContact CD1-CD1 3.96Å |
| 1254 | S | 70.3 | Confident | 75.3 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -65.1 | -20.6 | -179.2 | 55 | 0 | 0 | 0 | 0 | 113.6 | T1252 | T1252-S1254 PolarHBondContact O-N 2.85Š|
| 1255 | N | 72.3 | Confident | 73.3 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | trans | -131.5 | 82 | -178.3 | -176 | 43.5 | 0 | 0 | 0 | 111.5 | I1253 R1257 D1258 | I1253-N1255 PolarHBondContact O-N 3.02Å; N1255-R1257 PolarHBondContact O-N 3.1Å; N1255-R1257 WeakPolarHBondContact OD1-CB 3.28Å; N1255-D1258 PolarHBondContact ND2-OD1 3.21Å; N1255-D1258 PolarHBondContact ND2-OD2 2.63Å; N1255-D1258 PolarHBondContact O-N 2.88Å | ||
| 1256 | A | 79.1 | Confident | 71 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -61.1 | -13.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1192 W1229 L1232 D1258 Y1259 I1612 | I1192-A1256 HydrophobicContact CD1-CB 4.06Å; W1229-A1256 HydrophobicContact CE3-CB 4.03Å; W1229-A1256 HydrophobicContact CZ3-CB 4.5Å; L1232-A1256 HydrophobicContact CB-CB 4.05Å; A1256-D1258 PolarHBondContact O-N 2.93Å; A1256-Y1259 PolarHBondContact O-N 2.81Å; A1256-I1612 HydrophobicContact CB-CD1 4.16Å |
| 1257 | R | 74.1 | Confident | 68.3 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -50.4 | -34.1 | 169.5 | 171.6 | 177.4 | -169.3 | 106 | 46.1 | 113.5 | E1226 N1255 Y1259 L1260 | E1226-R1257 VanDerWaalsContact CD-NH2 3.29Å; E1226-R1257 IonicContact OE1-CZ 3.52Å; E1226-R1257 IonicContact OE1-NH1 3.63Å; E1226-R1257 PolarHBondContact OE1-NH1 2.82Å; E1226-R1257 IonicContact OE1-NH2 2.64Å; E1226-R1257 PolarHBondContact OE1-NH2 3.43Å; E1226-R1257 WeakPolarHBondContact OE2-CD 3.37Å; E1226-R1257 VanDerWaalsContact OE2-CG 3.3Å; E1226-R1257 WeakPolarHBondContact OE2-CG 3.36Å; E1226-R1257 IonicContact OE2-CZ 3.49Å; E1226-R1257 IonicContact OE2-NE 3.31Å; E1226-R1257 PolarHBondContact OE2-NE 3.22Å; E1226-R1257 IonicContact OE2-NH1 2.77Å; E1226-R1257 PolarHBondContact OE2-NH1 2.7Å; E1226-R1257 IonicContact OE2-NH2 3.26Å; E1226-R1257 PolarHBondContact OE2-NH2 3.29Å; N1255-R1257 PolarHBondContact O-N 3.1Å; N1255-R1257 WeakPolarHBondContact OD1-CB 3.28Å; R1257-Y1259 PolarHBondContact O-N 2.83Å; R1257-L1260 WeakPolarHBondContact O-CB 3.36Å; R1257-L1260 PolarHBondContact O-N 2.77Å |
| 1258 | D | 78 | Confident | 65.6 | Low | 118 Ų | 118 | 73.7 Ų | 73.7 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -70.5 | -3.5 | -170.5 | -60.2 | -31.9 | 0 | 0 | 0 | 113.1 | N1255 A1256 | N1255-D1258 PolarHBondContact ND2-OD1 3.21Å; N1255-D1258 PolarHBondContact ND2-OD2 2.63Å; N1255-D1258 PolarHBondContact O-N 2.88Å; A1256-D1258 PolarHBondContact O-N 2.93Å |
| 1259 | Y | 82.7 | Confident | 62.7 | Low | 47 Ų | 47 | 79 Ų | 79 | 18% | 0.184 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -110.6 | 9.5 | 174 | -57.8 | -93.6 | 0 | 0 | 0 | 113.1 | I1253 A1256 R1257 V1261 L1583 L1610 I1612 | I1253-Y1259 HydrophobicContact CD1-CE2 3.69Å; I1253-Y1259 WeakPolarHBondContact CD1-OH 3.37Å; I1253-Y1259 HydrophobicContact CG1-CE2 4.13Å; I1253-Y1259 HydrophobicContact CG2-CD2 4.2Å; I1253-Y1259 HydrophobicContact CG2-CE2 3.67Å; A1256-Y1259 PolarHBondContact O-N 2.81Å; R1257-Y1259 PolarHBondContact O-N 2.83Å; Y1259-V1261 PolarHBondContact O-N 2.77Å; Y1259-L1583 HydrophobicContact CE1-CD2 3.7Å; Y1259-L1583 WeakPolarHBondContact OH-CD2 3.36Å; Y1259-L1610 HydrophobicContact CD1-CB 3.86Å; Y1259-L1610 HydrophobicContact CD1-CD2 3.65Å; Y1259-L1610 HydrophobicContact CD1-CG 3.84Å; Y1259-L1610 HydrophobicContact CD2-CD2 3.97Å; Y1259-L1610 HydrophobicContact CE1-CB 4.33Å; Y1259-L1610 HydrophobicContact CE1-CD2 4.15Å; Y1259-L1610 HydrophobicContact CE2-CD2 4.48Å; Y1259-L1610 HydrophobicContact CG-CB 4.49Å; Y1259-L1610 HydrophobicContact CG-CD2 3.55Å; Y1259-L1610 HydrophobicContact CG-CG 3.97Å; Y1259-I1612 PolarHBondContact O-N 3.46Å |
| 1260 | L | 82.4 | Confident | 60 | Low | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.131 | 47% | 0.467 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 112.9 | -178 | -179.9 | 55.7 | 0 | 0 | 0 | 112.1 | F1163 E1226 W1229 R1257 F1262 I1612 | F1163-L1260 HydrophobicContact CD1-CD1 4.31Å; F1163-L1260 HydrophobicContact CE1-CD1 4.2Å; E1226-L1260 WeakPolarHBondContact OE2-CD2 3.41Å; W1229-L1260 HydrophobicContact CH2-CD1 4.24Å; W1229-L1260 HydrophobicContact CH2-CD2 4.15Å; R1257-L1260 WeakPolarHBondContact O-CB 3.36Å; R1257-L1260 PolarHBondContact O-N 2.77Å; L1260-F1262 HydrophobicContact CD2-CE1 4.49Å; L1260-F1262 HydrophobicContact CD2-CE2 4.05Å; L1260-F1262 HydrophobicContact CD2-CZ 3.65Å; L1260-F1262 HydrophobicContact CG-CE2 3.89Å; L1260-F1262 HydrophobicContact CG-CZ 3.87Å; L1260-I1612 CarbonylContact C-O 3.54Å; L1260-I1612 WeakPolarHBondContact CA-O 3.36Å; L1260-I1612 HydrophobicContact CD1-CG2 4.38Å |
| 1261 | V | 75.6 | Confident | 57.2 | Low | 61 Ų | 61 | 92.4 Ų | 92.4 | 37% | 0.37 | 50% | 0.5 | S | S | . | . | trans | -100.9 | 134.2 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | Y1259 V1611 I1612 Y1613 | Y1259-V1261 PolarHBondContact O-N 2.77Å; V1261-V1611 HydrophobicContact CG2-CB 3.97Å; V1261-V1611 HydrophobicContact CG2-CG1 3.8Å; V1261-I1612 PolarHBondContact N-O 2.74Å; V1261-Y1613 WeakPolarHBondContact O-CB 3.3Å | ||
| 1262 | F | 61.8 | Low | 54.2 | Low | 124 Ų | 124 | 95.8 Ų | 95.8 | 54% | 0.544 | 53% | 0.531 | S | S | . | . | trans | -107.4 | 152.8 | 173.8 | -63 | -86 | 0 | 0 | 0 | 110.7 | L1260 | L1260-F1262 HydrophobicContact CD2-CE1 4.49Å; L1260-F1262 HydrophobicContact CD2-CE2 4.05Å; L1260-F1262 HydrophobicContact CD2-CZ 3.65Å; L1260-F1262 HydrophobicContact CG-CE2 3.89Å; L1260-F1262 HydrophobicContact CG-CZ 3.87Å | ||
| 1263 | E | 48.8 | Very low | 51.5 | Low | 146 Ų | 146 | 99.6 Ų | 99.6 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -93.4 | 0.5 | -166.8 | -150.5 | 149.9 | -101.6 | 0 | 0 | 114.6 | D1265 K1629 | E1263-D1265 PolarHBondContact O-N 3.17Å; E1263-K1629 VanDerWaalsContact OE1-CE 3.31Å; E1263-K1629 WeakPolarHBondContact OE1-CE 3.48Å; E1263-K1629 IonicContact OE1-NZ 3.26Å; E1263-K1629 PolarHBondContact OE1-NZ 2.85Å |
| 1264 | N | 38.7 | Very low | 48.7 | Very low | 144 Ų | 144 | 104.3 Ų | 104.3 | 77% | 0.77 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -90.6 | 7.4 | -165.1 | -78.2 | 4.3 | 0 | 0 | 0 | 116.3 | G1266 | N1264-G1266 PolarHBondContact O-N 2.68Š|
| 1265 | D | 34.1 | Very low | 46.4 | Very low | 165 Ų | 165 | 108.5 Ų | 108.5 | 88% | 0.882 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -66.9 | -1.6 | 177.5 | -70.3 | -13.1 | 0 | 0 | 0 | 113.6 | E1263 | E1263-D1265 PolarHBondContact O-N 3.17Š|
| 1266 | G | 29.4 | Very low | 43.9 | Very low | 71 Ų | 71 | 114.6 Ų | 114.6 | 73% | 0.732 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -80.5 | -7.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | N1264 | N1264-G1266 PolarHBondContact O-N 2.68Š|
| 1267 | Q | 27.1 | Very low | 41.3 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 84% | 0.841 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -131.3 | 82.8 | -175.8 | -68.1 | -164.4 | 7.8 | 0 | 0 | 115.2 | S1269 | Q1267-S1269 PolarHBondContact O-N 3.02Š|
| 1268 | L | 25.8 | Very low | 38.7 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | trans | 21.3 | 81.9 | 142.2 | -70.2 | 166.3 | 0 | 0 | 0 | 118.1 | ||||
| 1269 | S | 22.6 | Very low | 36.1 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | -172.3 | 134.1 | 125.6 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | Q1267 | Q1267-S1269 PolarHBondContact O-N 3.02Š| |||
| 1270 | D | 26.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -64.5 | 132.4 | 170.8 | -72.7 | -72.8 | 0 | 0 | 0 | 112.7 | A1272 | D1270-A1272 PolarHBondContact O-N 2.7Š| ||
| 1271 | N | 26.4 | Very low | 30.4 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 56.5 | 53.3 | 149.3 | -68.7 | -66.8 | 0 | 0 | 0 | 118.1 | S1273 | N1271-S1273 PolarHBondContact O-N 2.85Š|
| 1272 | A | 22.3 | Very low | 27.9 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | 57.3 | 49.9 | 128 | 0 | 0 | 0 | 0 | 0 | 119.5 | D1270 | D1270-A1272 PolarHBondContact O-N 2.7Š| |||
| 1273 | S | 21.4 | Very low | 26.1 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -166 | 136.4 | 143.7 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | N1271 | N1271-S1273 PolarHBondContact O-N 2.85Š| ||
| 1274 | T | 23.2 | Very low | 24.9 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | -170.6 | 121.7 | 67.7 | -67 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1275 | I | 22.7 | Very low | 24.2 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 58.1 | 126.5 | 147.5 | -62.3 | 170.5 | 0 | 0 | 0 | 119.8 | ||||
| 1276 | Y | 18.8 | Very low | 23.6 | Very low | 193 Ų | 193 | 137 Ų | 137 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -51.4 | 141 | 162.9 | -66.2 | -109.2 | 0 | 0 | 0 | 113.5 | ||||
| 1277 | M | 23.9 | Very low | 23.2 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -132.6 | 106.1 | 146.2 | -77.6 | -72 | -71.9 | 0 | 0 | 106.3 | ||||
| 1278 | D | 19.8 | Very low | 23 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -71 | 144 | -176 | -51.2 | -76 | 0 | 0 | 0 | 111.4 | ||||
| 1279 | S | 24.1 | Very low | 22.8 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -136.3 | 96.3 | 162.8 | 64.2 | 0 | 0 | 0 | 0 | 108.7 | T1281 | S1279-T1281 PolarHBondContact O-N 2.9Š| ||
| 1280 | E | 20.2 | Very low | 22.8 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -65.6 | 125.1 | 175.7 | -54.8 | 166.4 | 126.6 | 0 | 0 | 110.3 | ||||
| 1281 | T | 25.5 | Very low | 22.4 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -154.8 | 118.8 | 146 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | S1279 | S1279-T1281 PolarHBondContact O-N 2.9Š| ||
| 1282 | D | 23.3 | Very low | 22.4 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 27.8 | 120.8 | 152.9 | -84.3 | -65.8 | 0 | 0 | 0 | 123.3 | ||||
| 1283 | S | 23.2 | Very low | 22.4 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | 50.3 | 113.4 | 111.2 | -49.5 | 0 | 0 | 0 | 0 | 118.8 | G1285 | S1283-G1285 PolarHBondContact O-N 2.82Å; S1283-G1285 VanDerWaalsContact O-N 3.1Å | |||
| 1284 | P | 23.9 | Very low | 22.4 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -71.7 | 107.5 | -172.3 | 29.2 | -35.5 | 0 | 0 | 0 | 113.6 | K1286 | P1284-K1286 PolarHBondContact O-N 3.05Š| ||
| 1285 | G | 23 | Very low | 22.4 | Very low | 73 Ų | 73 | 150.5 Ų | 150.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -69 | 114.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1283 L1287 | S1283-G1285 PolarHBondContact O-N 2.82Å; S1283-G1285 VanDerWaalsContact O-N 3.1Å; G1285-L1287 PolarHBondContact O-N 3.42Å | ||
| 1286 | K | 21.5 | Very low | 22.3 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 120.1 | 168 | -67.1 | 176.8 | 179.5 | 176.3 | 0 | 109.8 | P1284 | P1284-K1286 PolarHBondContact O-N 3.05Š| ||
| 1287 | L | 21 | Very low | 22.3 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -126.7 | 99.1 | 164.8 | -77 | 174.5 | 0 | 0 | 0 | 110.1 | G1285 | G1285-L1287 PolarHBondContact O-N 3.42Š| ||
| 1288 | N | 23.3 | Very low | 22.3 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -67.9 | 129.6 | 162.9 | -70.7 | -8.3 | 0 | 0 | 0 | 108.6 | ||||
| 1289 | F | 22 | Very low | 22.4 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -125.6 | 152.6 | 144.5 | -81.3 | -77.5 | 0 | 0 | 0 | 109.1 | ||||
| 1290 | N | 21.7 | Very low | 22.4 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | -143.2 | 157.1 | -157.7 | -175.2 | 18.8 | 0 | 0 | 0 | 108.8 | ||||
| 1291 | F | 20.3 | Very low | 22.6 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 66.8 | 140.9 | -169.8 | -51.6 | -81 | 0 | 0 | 0 | 111.9 | ||||
| 1292 | D | 25.4 | Very low | 23 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -125.9 | 158.3 | 42.7 | -78.5 | -44.1 | 0 | 0 | 0 | 116.8 | ||||
| 1293 | K | 22.4 | Very low | 23 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -102.4 | 136.9 | 155.3 | -70.5 | -179 | 175.5 | -177.3 | 0 | 107.3 | ||||
| 1294 | M | 21.5 | Very low | 23.2 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | -137.7 | 106.4 | 167.3 | -160.2 | 67.8 | 67.7 | 0 | 0 | 110.7 | ||||
| 1295 | D | 23 | Very low | 23.1 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 27 | 129.8 | 154 | -58.5 | -14.4 | 0 | 0 | 0 | 122.4 | ||||
| 1296 | S | 20.2 | Very low | 23.1 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -62.4 | 140.6 | 161.9 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1297 | F | 20 | Very low | 23.2 | Very low | 216 Ų | 216 | 148.4 Ų | 148.4 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | trans | -104.2 | 153.9 | 141.6 | -98.6 | -97.1 | 0 | 0 | 0 | 109.9 | ||||
| 1298 | N | 22.5 | Very low | 23.2 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | trans | -141.6 | 118 | -166.1 | 175.2 | 21.3 | 0 | 0 | 0 | 109.1 | N1300 | N1298-N1300 PolarHBondContact OD1-ND2 3.19Š| ||
| 1299 | E | 23 | Very low | 23.1 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -125 | 133.1 | 169.8 | -69.5 | -166 | 143.8 | 0 | 0 | 109.1 | ||||
| 1300 | N | 23.2 | Very low | 23.1 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -146.6 | 107.6 | -171.2 | -105.8 | -66.7 | 0 | 0 | 0 | 111.4 | N1298 | N1298-N1300 PolarHBondContact OD1-ND2 3.19Š| ||
| 1301 | G | 24.6 | Very low | 23 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 71.8 | -177.1 | 167 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1302 | P | 34.1 | Very low | 23.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | cis | -116.7 | -178.6 | 0.7 | 41.1 | -29.6 | 0 | 0 | 0 | 114.3 | ||||
| 1303 | S | 23.4 | Very low | 22.9 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 150.1 | 173 | 49.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1304 | L | 27.1 | Very low | 23 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -129.2 | 104.2 | 170.2 | 178.5 | 62.5 | 0 | 0 | 0 | 111 | ||||
| 1305 | D | 22 | Very low | 23.4 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -82.9 | 129.6 | 163.4 | -82.5 | -51.3 | 0 | 0 | 0 | 110.1 | ||||
| 1306 | M | 24 | Very low | 23.5 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -158.3 | 126 | 161.3 | -124 | -175.7 | 63.3 | 0 | 0 | 112.7 | ||||
| 1307 | L | 22.3 | Very low | 23.6 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 31.5 | 135.6 | 135.1 | -52.8 | 175.3 | 0 | 0 | 0 | 118.7 | ||||
| 1308 | T | 21.2 | Very low | 23.8 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | cis | -177.4 | 157.5 | 12 | 10.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1309 | T | 21.2 | Very low | 23.7 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | 62 | 150.6 | 149.2 | 56 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1310 | T | 21.3 | Very low | 23.6 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | -152 | 139.7 | -2.5 | -1.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1311 | A | 20.6 | Very low | 23.5 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | trans | 29.2 | 108.9 | 134.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1312 | T | 21.4 | Very low | 23.5 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | 56.1 | 116 | 123.8 | 61.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 1313 | S | 22.1 | Very low | 22.9 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | -139 | 148.2 | 132.2 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1314 | T | 23.5 | Very low | 22.9 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -89.7 | 160.1 | -161.8 | 33.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1315 | P | 31.3 | Very low | 22.7 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -79.6 | 163.2 | 176.3 | 35.4 | -37.2 | 0 | 0 | 0 | 112.2 | ||||
| 1316 | N | 24.2 | Very low | 22.8 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | -164.8 | 158 | 153.1 | -116.1 | -34.9 | 0 | 0 | 0 | 114.6 | ||||
| 1317 | L | 22.5 | Very low | 22.7 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 44.9 | 116.3 | 161.4 | -87.2 | 62 | 0 | 0 | 0 | 117.2 | ||||
| 1318 | N | 23.4 | Very low | 22.7 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | -150 | 150.4 | 60.5 | -93.4 | -39.1 | 0 | 0 | 0 | 112.1 | |||||
| 1319 | L | 21.1 | Very low | 22.8 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | 60.7 | 132.3 | 80.5 | -118 | 81.5 | 0 | 0 | 0 | 112 | |||||
| 1320 | M | 21.5 | Very low | 22.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 64% | 0.635 | 75% | 0.754 | S | S | * | * | cis | -158.7 | 144.6 | 8.8 | -158.5 | 170.8 | -132.2 | 0 | 0 | 113.1 | ||||
| 1321 | K | 21.8 | Very low | 22.9 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 15.8 | 122.1 | 152.2 | -54.1 | 167.9 | -174.1 | 177.1 | 0 | 119.8 | ||||
| 1322 | S | 23.5 | Very low | 22.9 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | 168.1 | 108.7 | 103.6 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1323 | I | 22.5 | Very low | 22.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 65.3 | 114.5 | 72.1 | -60.7 | 176.2 | 0 | 0 | 0 | 112.2 | |||||
| 1324 | N | 22.8 | Very low | 22.9 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -42.8 | 158.6 | 173.9 | -46.4 | -4.2 | 0 | 0 | 0 | 114.8 | ||||
| 1325 | N | 23.6 | Very low | 22.9 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | -136.2 | 72 | 144.8 | -95.3 | -27.1 | 0 | 0 | 0 | 109.5 | ||||
| 1326 | D | 22.2 | Very low | 22.5 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -97.1 | 114.7 | 141.2 | -90.4 | -44.1 | 0 | 0 | 0 | 106 | ||||
| 1327 | F | 23.1 | Very low | 22.4 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -159.4 | 96.4 | 158.2 | -130.5 | -83.1 | 0 | 0 | 0 | 111.9 | ||||
| 1328 | D | 22.5 | Very low | 22.6 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 38.8 | 109.8 | 140.6 | -81.1 | -44.5 | 0 | 0 | 0 | 121.1 | ||||
| 1329 | S | 23.1 | Very low | 22.9 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | 129.9 | 161.9 | 99.5 | 71.7 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1330 | K | 23.7 | Very low | 23.1 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 76.1 | 87.2 | 161.8 | -64.7 | 167.2 | -171.6 | 169.8 | 0 | 118.2 | ||||
| 1331 | K | 20.7 | Very low | 23.4 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | 41 | 110.6 | 111.7 | -73.4 | -169.8 | 173.8 | -174.2 | 0 | 118.4 | |||||
| 1332 | S | 20.4 | Very low | 23.8 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 61.4 | 142 | 125.9 | 67.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1333 | M | 19.6 | Very low | 24 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 73.6 | 138.3 | 174.5 | -54.7 | 165.9 | 74.5 | 0 | 0 | 112.4 | ||||
| 1334 | E | 22.9 | Very low | 24.3 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -141.2 | 159.8 | 13.9 | -140.7 | 156.2 | -135.7 | 0 | 0 | 114.2 | ||||
| 1335 | T | 23.5 | Very low | 24.8 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -62.6 | 143.5 | 178.9 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1336 | G | 24 | Very low | 25.1 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -173.6 | 116.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1337 | L | 21.9 | Very low | 25.6 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 94% | 0.937 | 73% | 0.731 | S | S | * | * | trans | -52.4 | 137 | -178.2 | -70.4 | 63.5 | 0 | 0 | 0 | 114.5 | ||||
| 1338 | S | 26 | Very low | 25.8 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 53% | 0.531 | 73% | 0.729 | S | S | . | * | trans | -160.6 | 109.3 | 140.8 | -172.6 | 0 | 0 | 0 | 0 | 112 | Q1341 | S1338-Q1341 WeakPolarHBondContact OG-CB 3.35Š| ||
| 1339 | S | 29.5 | Very low | 25.8 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -134.8 | 13.5 | 169.8 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1340 | L | 27.3 | Very low | 25.7 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -129.5 | -19.5 | 173.6 | -104.2 | 94.9 | 0 | 0 | 0 | 114.3 | L1342 L1343 A1344 | L1340-L1342 VanDerWaalsContact C-N 3.26Å; L1340-L1342 PolarHBondContact O-N 2.67Å; L1340-L1343 PolarHBondContact O-N 3.11Å; L1340-A1344 PolarHBondContact O-N 3.46Å |
| 1341 | Q | 26.8 | Very low | 25.6 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -63.7 | -34.4 | -178.2 | -149.8 | 72.9 | 26.2 | 0 | 0 | 112 | S1338 L1343 A1344 D1345 | S1338-Q1341 WeakPolarHBondContact OG-CB 3.35Å; Q1341-L1343 PolarHBondContact O-N 3.34Å; Q1341-A1344 PolarHBondContact O-N 2.9Å; Q1341-D1345 PolarHBondContact O-N 2.8Å |
| 1342 | L | 30.9 | Very low | 25.7 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -67.2 | -9.1 | 172.7 | -73.3 | 172.8 | 0 | 0 | 0 | 114.6 | L1340 | L1340-L1342 VanDerWaalsContact C-N 3.26Å; L1340-L1342 PolarHBondContact O-N 2.67Å |
| 1343 | L | 27.2 | Very low | 25.8 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -108.6 | -2.2 | 177.5 | -75.1 | 166.7 | 0 | 0 | 0 | 113.2 | L1340 Q1341 | L1340-L1343 PolarHBondContact O-N 3.11Å; Q1341-L1343 PolarHBondContact O-N 3.34Å |
| 1344 | A | 28.3 | Very low | 25.8 | Very low | 55 Ų | 55 | 133.6 Ų | 133.6 | 46% | 0.455 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.7 | -29.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1340 Q1341 M1346 N1347 | L1340-A1344 PolarHBondContact O-N 3.46Å; Q1341-A1344 PolarHBondContact O-N 2.9Å; A1344-M1346 PolarHBondContact O-N 3.45Å; A1344-N1347 PolarHBondContact O-N 2.84Å |
| 1345 | D | 33.4 | Very low | 25.7 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -72.7 | -3.1 | 170.7 | -76.4 | 5 | 0 | 0 | 0 | 112.4 | Q1341 N1347 | Q1341-D1345 PolarHBondContact O-N 2.8Å; D1345-N1347 PolarHBondContact O-N 3.21Å |
| 1346 | M | 30.7 | Very low | 25.5 | Very low | 161 Ų | 161 | 134 Ų | 134 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | trans | -65.8 | 33.7 | 154.5 | -74 | -73.5 | -72.5 | 0 | 0 | 112.7 | A1344 P1348 | A1344-M1346 PolarHBondContact O-N 3.45Å; M1346-P1348 WeakPolarHBondContact O-CD 3.37Å | ||
| 1347 | N | 32.3 | Very low | 25.3 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 60% | 0.599 | 71% | 0.714 | S | S | * | * | trans | -71.9 | 114.2 | 177.7 | -179.3 | -0.2 | 0 | 0 | 0 | 109.4 | A1344 D1345 T1349 | A1344-N1347 PolarHBondContact O-N 2.84Å; D1345-N1347 PolarHBondContact O-N 3.21Å; N1347-T1349 VanDerWaalsContact C-N 3.26Å; N1347-T1349 PolarHBondContact O-N 3.34Å | ||
| 1348 | P | 26.5 | Very low | 25.2 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | trans | -79.6 | 69.4 | -167.6 | 33.8 | -37 | 0 | 0 | 0 | 112.6 | M1346 | M1346-P1348 WeakPolarHBondContact O-CD 3.37Š| ||
| 1349 | T | 23.7 | Very low | 25.1 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | trans | -103.4 | 105.4 | 170.8 | -45.5 | 0 | 0 | 0 | 0 | 107.8 | N1347 | N1347-T1349 VanDerWaalsContact C-N 3.26Å; N1347-T1349 PolarHBondContact O-N 3.34Å | ||
| 1350 | Y | 20.9 | Very low | 24.8 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | 54.7 | 115.7 | 91.3 | -128 | -92 | 0 | 0 | 0 | 112.4 | |||||
| 1351 | Q | 22.3 | Very low | 24.5 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | cis | -160 | -169.5 | -8 | -129.9 | -176.9 | 53.7 | 0 | 0 | 108.5 | ||||
| 1352 | K | 21.8 | Very low | 24.4 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | -24.3 | 147.9 | 167.5 | -60.6 | 168.3 | 176.1 | 172.3 | 0 | 116.3 | ||||
| 1353 | Y | 22.3 | Very low | 24.1 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | -166 | 165.6 | 105.1 | -100.7 | -66.3 | 0 | 0 | 0 | 112.9 | |||||
| 1354 | T | 20.6 | Very low | 23.9 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | -112 | 135 | -161 | -51.6 | 0 | 0 | 0 | 0 | 113 | Q1356 | T1354-Q1356 HydrophobicContact CG2-CG 4.38Š| ||
| 1355 | L | 19.9 | Very low | 23.7 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -149.8 | 107.7 | 154.6 | -88.4 | 127.4 | 0 | 0 | 0 | 105.8 | Y1357 | L1355-Y1357 HydrophobicContact CD2-CD2 4.49Å; L1355-Y1357 HydrophobicContact CD2-CE2 4.27Å | ||
| 1356 | Q | 19 | Very low | 23.3 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | 46.6 | 105.7 | 66.7 | -69.9 | -164 | -1.7 | 0 | 0 | 114.3 | T1354 | T1354-Q1356 HydrophobicContact CG2-CG 4.38Š| |||
| 1357 | Y | 20.4 | Very low | 22.9 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | -173.2 | 95.4 | 127.1 | -92.7 | -68.3 | 0 | 0 | 0 | 107 | L1355 | L1355-Y1357 HydrophobicContact CD2-CD2 4.49Å; L1355-Y1357 HydrophobicContact CD2-CE2 4.27Å | |||
| 1358 | K | 20.5 | Very low | 22.3 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | 77.4 | 131.7 | 98.3 | -76.7 | -164.4 | -177.4 | -174.6 | 0 | 114.9 | |||||
| 1359 | L | 22.3 | Very low | 22.2 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -66.2 | 144 | 171.5 | -68.6 | 75.7 | 0 | 0 | 0 | 111.3 | ||||
| 1360 | P | 24.6 | Very low | 22.1 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -87.6 | 126.9 | 145.9 | 5.2 | 14.6 | 0 | 0 | 0 | 109.9 | ||||
| 1361 | N | 20.4 | Very low | 22.3 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -88.1 | 179 | 163.4 | -70.1 | -5.7 | 0 | 0 | 0 | 110.1 | ||||
| 1362 | N | 25.5 | Very low | 22.2 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | 96 | 133.8 | 177.8 | -51.2 | -14.5 | 0 | 0 | 0 | 113.4 | ||||
| 1363 | A | 24.4 | Very low | 22.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | cis | -132.6 | 165.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1364 | G | 22.8 | Very low | 22.2 | Very low | 57 Ų | 57 | 138.5 Ų | 138.5 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | cis | 72.2 | 129.8 | 45.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1365 | D | 23.8 | Very low | 22.3 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | cis | -160.1 | 152.2 | -7.3 | -79.7 | -57.4 | 0 | 0 | 0 | 106.8 | ||||
| 1366 | L | 24.1 | Very low | 22.3 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | -162.4 | 86.9 | 158.1 | -122.4 | 144.7 | 0 | 0 | 0 | 113.6 | ||||
| 1367 | D | 23.4 | Very low | 22.5 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 17.5 | 140.9 | 155.1 | -61.6 | -41.1 | 0 | 0 | 0 | 123.2 | ||||
| 1368 | L | 20.1 | Very low | 22.5 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 149.1 | 160 | -59.5 | 87.2 | 0 | 0 | 0 | 111 | ||||
| 1369 | V | 22.9 | Very low | 22.6 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -131.3 | 112.3 | 155.2 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L1371 | V1369-L1371 HydrophobicContact CG1-CD1 4Š| ||
| 1370 | S | 21.6 | Very low | 22.6 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -104.3 | 137.5 | 168.9 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1371 | L | 25.2 | Very low | 22.6 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -127.9 | 120.4 | 163.6 | -102.1 | 87.9 | 0 | 0 | 0 | 109.3 | V1369 | V1369-L1371 HydrophobicContact CG1-CD1 4Š| ||
| 1372 | D | 21.3 | Very low | 22.6 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -100.4 | 168.7 | 177.3 | -61.4 | -68.9 | 0 | 0 | 0 | 112.1 | ||||
| 1373 | G | 21 | Very low | 22.6 | Very low | 62 Ų | 62 | 138.6 Ų | 138.6 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | 110 | 127.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1374 | D | 22.4 | Very low | 22.5 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 92.4 | 138 | 64.4 | -99.3 | 44.4 | 0 | 0 | 0 | 111.5 | |||||
| 1375 | N | 22.5 | Very low | 22.6 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 58% | 0.583 | 78% | 0.777 | S | S | * | * | cis | -168.9 | 179.3 | -9.7 | -150.4 | -37.7 | 0 | 0 | 0 | 109.7 | ||||
| 1376 | F | 20.6 | Very low | 22.6 | Very low | 166 Ų | 166 | 145 Ų | 145 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | 75 | 146.7 | 153.3 | -80.7 | -65.7 | 0 | 0 | 0 | 124.5 | ||||
| 1377 | N | 23.1 | Very low | 22.5 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | 73.9 | 120.3 | 157.5 | -57.6 | -29.4 | 0 | 0 | 0 | 118.9 | ||||
| 1378 | Q | 20.1 | Very low | 22.5 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | 92.5 | 135.9 | 33.6 | -170.1 | -176.3 | 78.8 | 0 | 0 | 113.8 | ||||
| 1379 | M | 22.5 | Very low | 22.7 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 107.1 | 148.8 | 177.3 | -66.4 | -163.4 | -170.9 | 0 | 0 | 115.5 | ||||
| 1380 | N | 21.3 | Very low | 22.7 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | -172.1 | 172.7 | -24.6 | -169.2 | 12.3 | 0 | 0 | 0 | 109.6 | ||||
| 1381 | I | 24.7 | Very low | 22.8 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | 80.6 | 102.9 | 158.5 | -47.3 | -177.2 | 0 | 0 | 0 | 120.2 | ||||
| 1382 | D | 20.8 | Very low | 22.8 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 28.2 | 135 | 134.4 | -57.1 | -56.3 | 0 | 0 | 0 | 124.2 | ||||
| 1383 | K | 26.8 | Very low | 22.9 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | -167.4 | 127.2 | 123.8 | -102.2 | 146.7 | -169.8 | 167 | 0 | 115.3 | |||||
| 1384 | K | 22.3 | Very low | 23 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -101.7 | 175 | 150.4 | -76.4 | 179.6 | 176.4 | 179.1 | 0 | 108.1 | ||||
| 1385 | P | 23.6 | Very low | 23 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -111.7 | -150.6 | -0.9 | 23.3 | 2.7 | 0 | 0 | 0 | 110.4 | ||||
| 1386 | T | 23.7 | Very low | 23 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | cis | -150.3 | 164.3 | 18 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1387 | D | 21.7 | Very low | 23.2 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -68.8 | 148.6 | 180 | -49.5 | -90.4 | 0 | 0 | 0 | 115.7 | ||||
| 1388 | A | 24.2 | Very low | 23.4 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -147.8 | 90.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1389 | L | 23.4 | Very low | 24.2 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | 25.5 | 115 | 155.3 | -73.4 | 161.1 | 0 | 0 | 0 | 120.4 | ||||
| 1390 | P | 23.8 | Very low | 25 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 135.5 | 169.1 | 32.4 | -33.7 | 0 | 0 | 0 | 111.9 | ||||
| 1391 | G | 24.6 | Very low | 26.2 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 179.2 | 15.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1392 | Q | 24.6 | Very low | 27.7 | Very low | 176 Ų | 176 | 127 Ų | 127 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -129.4 | 124.4 | 173 | -90.7 | -177.1 | -15.2 | 0 | 0 | 112.9 | H1394 | Q1392-H1394 PolarHBondContact O-N 3Š| ||
| 1393 | A | 22.5 | Very low | 29.5 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | -80 | 94.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1394 | H | 23.5 | Very low | 30.9 | Very low | 162 Ų | 162 | 118.6 Ų | 118.6 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | trans | -64.3 | 144 | 171.2 | -102.1 | -75.9 | 0 | 0 | 0 | 111.2 | Q1392 V1396 | Q1392-H1394 PolarHBondContact O-N 3Å; H1394-V1396 PolarHBondContact O-N 3.31Å | ||
| 1395 | L | 22.6 | Very low | 32.6 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | trans | -70.1 | 99.4 | 170.7 | -146.8 | 80.6 | 0 | 0 | 0 | 107.7 | T1397 | L1395-T1397 PolarHBondContact O-N 3.14Š| ||
| 1396 | V | 22.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 114.4 Ų | 114.4 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | trans | -76.1 | 76.5 | 179.2 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | H1394 T1398 | H1394-V1396 PolarHBondContact O-N 3.31Å; V1396-T1398 HydrophobicContact CG1-CG2 3.68Å; V1396-T1398 PolarHBondContact O-N 3.1Å | ||
| 1397 | T | 25.9 | Very low | 36.5 | Very low | 89 Ų | 89 | 112.5 Ų | 112.5 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | trans | -77.3 | 98.6 | 156.5 | 48 | 0 | 0 | 0 | 0 | 107.1 | L1395 H1399 | L1395-T1397 PolarHBondContact O-N 3.14Å; T1397-H1399 PolarHBondContact O-N 3.4Å | ||
| 1398 | T | 27.1 | Very low | 38.5 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 58% | 0.577 | 66% | 0.664 | S | S | * | * | trans | -70.6 | 62.7 | 172.6 | 54 | 0 | 0 | 0 | 0 | 111 | V1396 S1400 Q1556 | V1396-T1398 HydrophobicContact CG1-CG2 3.68Å; V1396-T1398 PolarHBondContact O-N 3.1Å; T1398-S1400 PolarHBondContact O-N 3.34Å; T1398-Q1556 PolarHBondContact O-OE1 2.83Å | ||
| 1399 | H | 35.4 | Very low | 40.3 | Very low | 144 Ų | 144 | 109.1 Ų | 109.1 | 67% | 0.667 | 66% | 0.656 | S | S | * | * | trans | -74.8 | 82 | 157.2 | -61.8 | -53.3 | 0 | 0 | 0 | 106.5 | T1397 G1401 | T1397-H1399 PolarHBondContact O-N 3.4Å; H1399-G1401 VanDerWaalsContact C-N 3.31Å; H1399-G1401 PolarHBondContact O-N 3.15Å | ||
| 1400 | S | 40.6 | Very low | 42.5 | Very low | 92 Ų | 92 | 101.9 Ų | 101.9 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | trans | -58.9 | 105 | 158.3 | 47.7 | 0 | 0 | 0 | 0 | 106.1 | T1398 | T1398-S1400 PolarHBondContact O-N 3.34Š| ||
| 1401 | G | 45.4 | Very low | 44.9 | Very low | 52 Ų | 52 | 97.9 Ų | 97.9 | 54% | 0.536 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -56 | 158.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | H1399 T1403 | H1399-G1401 VanDerWaalsContact C-N 3.31Å; H1399-G1401 PolarHBondContact O-N 3.15Å; G1401-T1403 PolarHBondContact O-N 3.34Å |
| 1402 | P | 57.7 | Low | 47.6 | Very low | 38 Ų | 38 | 94.7 Ų | 94.7 | 25% | 0.247 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -52.4 | 137.2 | -179.3 | 19.3 | -28.7 | 0 | 0 | 0 | 110.6 | Q1406 L1407 W1558 | P1402-Q1406 HydrophobicContact CB-CB 4.09Å; P1402-L1407 HydrophobicContact CB-CD1 4.26Å; P1402-L1407 HydrophobicContact CB-CG 3.93Å; P1402-L1407 HydrophobicContact CG-CD1 3.74Å; P1402-L1407 HydrophobicContact CG-CD2 4.4Å; P1402-L1407 HydrophobicContact CG-CG 3.7Å; P1402-W1558 HydrophobicContact CB-CB 3.85Å; P1402-W1558 HydrophobicContact CB-CD2 3.64Å; P1402-W1558 HydrophobicContact CB-CE3 3.91Å; P1402-W1558 HydrophobicContact CB-CG 3.58Å; P1402-W1558 HydrophobicContact CG-CB 3.83Å; P1402-W1558 HydrophobicContact CG-CD2 4.28Å; P1402-W1558 HydrophobicContact CG-CE3 4.24Å; P1402-W1558 HydrophobicContact CG-CG 4.1Å |
| 1403 | T | 57 | Low | 50.1 | Low | 63 Ų | 63 | 86.9 Ų | 86.9 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 153.7 | 169.7 | 66.2 | 0 | 0 | 0 | 0 | 109.2 | G1401 E1405 Q1406 L1407 | G1401-T1403 PolarHBondContact O-N 3.34Å; T1403-E1405 PolarHBondContact O-N 3.42Å; T1403-E1405 VanDerWaalsContact O-N 3.14Å; T1403-Q1406 WeakPolarHBondContact O-CB 3.34Å; T1403-Q1406 PolarHBondContact O-N 3.01Å; T1403-Q1406 WeakPolarHBondContact OG1-CG 3.2Å; T1403-Q1406 PolarHBondContact OG1-N 3.42Å; T1403-Q1406 PolarHBondContact OG1-OE1 2.98Å; T1403-L1407 PolarHBondContact O-N 3.26Å |
| 1404 | P | 57.4 | Low | 52.7 | Low | 110 Ų | 110 | 82.7 Ų | 82.7 | 71% | 0.714 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.4 | -35.5 | 176.5 | -28.3 | 36.5 | 0 | 0 | 0 | 112.7 | L1407 A1408 | P1404-L1407 PolarHBondContact O-N 2.96Å; P1404-A1408 VanDerWaalsContact O-CB 3.27Å; P1404-A1408 WeakPolarHBondContact O-CB 3.24Å; P1404-A1408 PolarHBondContact O-N 3.48Å |
| 1405 | E | 57.4 | Low | 55.3 | Low | 154 Ų | 154 | 75 Ų | 75 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 173.9 | -60.5 | 176.1 | -174.8 | 0 | 0 | 113.7 | T1403 A1408 T1409 | T1403-E1405 PolarHBondContact O-N 3.42Å; T1403-E1405 VanDerWaalsContact O-N 3.14Å; E1405-A1408 PolarHBondContact O-N 3.14Å; E1405-T1409 WeakPolarHBondContact O-CB 3Å; E1405-T1409 WeakPolarHBondContact O-CG2 3.41Å; E1405-T1409 PolarHBondContact O-N 3.29Å; E1405-T1409 PolarHBondContact O-OG1 2.93Å |
| 1406 | Q | 65.5 | Low | 58.1 | Low | 78 Ų | 78 | 67.7 Ų | 67.7 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175 | -78.3 | 172.1 | -28.5 | 0 | 0 | 111.2 | P1402 T1403 T1409 A1410 W1558 | P1402-Q1406 HydrophobicContact CB-CB 4.09Å; T1403-Q1406 WeakPolarHBondContact O-CB 3.34Å; T1403-Q1406 PolarHBondContact O-N 3.01Å; T1403-Q1406 WeakPolarHBondContact OG1-CG 3.2Å; T1403-Q1406 PolarHBondContact OG1-N 3.42Å; T1403-Q1406 PolarHBondContact OG1-OE1 2.98Å; Q1406-T1409 PolarHBondContact O-N 2.91Å; Q1406-T1409 PolarHBondContact O-OG1 3.46Å; Q1406-A1410 PolarHBondContact O-N 2.98Å; Q1406-W1558 HydrophobicContact CB-CH2 4.29Å; Q1406-W1558 HydrophobicContact CB-CZ2 3.69Å; Q1406-W1558 HydrophobicContact CG-CZ2 4.23Å; Q1406-W1558 WeakPolarHBondContact O-CH2 3.25Å |
| 1407 | L | 64.2 | Low | 60.5 | Low | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 173.3 | -96.6 | 163.9 | 0 | 0 | 0 | 112.4 | P1402 T1403 P1404 T1409 A1410 Y1753 | P1402-L1407 HydrophobicContact CB-CD1 4.26Å; P1402-L1407 HydrophobicContact CB-CG 3.93Å; P1402-L1407 HydrophobicContact CG-CD1 3.74Å; P1402-L1407 HydrophobicContact CG-CD2 4.4Å; P1402-L1407 HydrophobicContact CG-CG 3.7Å; T1403-L1407 PolarHBondContact O-N 3.26Å; P1404-L1407 PolarHBondContact O-N 2.96Å; L1407-T1409 VanDerWaalsContact C-N 3.26Å; L1407-T1409 PolarHBondContact O-N 3.41Å; L1407-A1410 WeakPolarHBondContact O-CB 3.49Å; L1407-A1410 PolarHBondContact O-N 3.35Å; L1407-Y1753 HydrophobicContact CD2-CE1 4.29Å |
| 1408 | A | 63.4 | Low | 62.6 | Low | 89 Ų | 89 | 62 Ų | 62 | 74% | 0.736 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.1 | -18.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1404 E1405 | P1404-A1408 VanDerWaalsContact O-CB 3.27Å; P1404-A1408 WeakPolarHBondContact O-CB 3.24Å; P1404-A1408 PolarHBondContact O-N 3.48Å; E1405-A1408 PolarHBondContact O-N 3.14Å |
| 1409 | T | 61.8 | Low | 64.8 | Low | 101 Ų | 101 | 58 Ų | 58 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 10.1 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | E1405 Q1406 L1407 | E1405-T1409 WeakPolarHBondContact O-CB 3Å; E1405-T1409 WeakPolarHBondContact O-CG2 3.41Å; E1405-T1409 PolarHBondContact O-N 3.29Å; E1405-T1409 PolarHBondContact O-OG1 2.93Å; Q1406-T1409 PolarHBondContact O-N 2.91Å; Q1406-T1409 PolarHBondContact O-OG1 3.46Å; L1407-T1409 VanDerWaalsContact C-N 3.26Å; L1407-T1409 PolarHBondContact O-N 3.41Å |
| 1410 | A | 68.7 | Low | 66.4 | Low | 17 Ų | 17 | 53 Ų | 53 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | trans | -83.2 | 127.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1406 L1407 W1558 Y1753 | Q1406-A1410 PolarHBondContact O-N 2.98Å; L1407-A1410 WeakPolarHBondContact O-CB 3.49Å; L1407-A1410 PolarHBondContact O-N 3.35Å; A1410-W1558 HydrophobicContact CB-CH2 3.67Å; A1410-W1558 HydrophobicContact CB-CZ3 3.61Å; A1410-Y1753 HydrophobicContact CB-CD1 3.35Å; A1410-Y1753 HydrophobicContact CB-CD2 3.94Å; A1410-Y1753 HydrophobicContact CB-CE1 3.6Å; A1410-Y1753 HydrophobicContact CB-CE2 4.13Å; A1410-Y1753 HydrophobicContact CB-CG 3.56Å; A1410-Y1753 WeakPolarHBondContact O-CB 3.45Å | ||
| 1411 | D | 75.4 | Confident | 67.3 | Low | 51 Ų | 51 | 56 Ų | 56 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -127.3 | 177.7 | 171.8 | 65.7 | 19.1 | 0 | 0 | 0 | 110.7 | W1413 T1414 Y1753 R1878 | D1411-W1413 PolarHBondContact O-N 3.49Å; D1411-W1413 VanDerWaalsContact OD1-CA 3.3Å; D1411-W1413 WeakPolarHBondContact OD1-CA 3.4Å; D1411-W1413 VanDerWaalsContact OD1-CB 3.32Å; D1411-W1413 WeakPolarHBondContact OD1-CB 3.5Å; D1411-W1413 PolarHBondContact OD1-N 3.32Å; D1411-T1414 PolarHBondContact N-OG1 2.93Å; D1411-T1414 WeakPolarHBondContact O-CB 3.5Å; D1411-T1414 PolarHBondContact O-N 3.01Å; D1411-T1414 PolarHBondContact O-OG1 3.08Å; D1411-T1414 PolarHBondContact OD1-N 3.27Å; D1411-T1414 PolarHBondContact OD1-OG1 3.27Å; D1411-Y1753 WeakPolarHBondContact O-CD2 3.19Å; D1411-R1878 IonicContact OD1-CZ 3.4Å; D1411-R1878 IonicContact OD1-NE 2.78Å; D1411-R1878 PolarHBondContact OD1-NE 3.28Å; D1411-R1878 IonicContact OD1-NH2 2.74Å; D1411-R1878 PolarHBondContact OD1-NH2 3.41Å; D1411-R1878 IonicContact OD2-CZ 3.39Å; D1411-R1878 IonicContact OD2-NE 3.22Å; D1411-R1878 PolarHBondContact OD2-NE 3.04Å; D1411-R1878 IonicContact OD2-NH2 2.91Å; D1411-R1878 PolarHBondContact OD2-NH2 2.99Å | ||
| 1412 | W | 81.8 | Confident | 67.5 | Low | 11 Ų | 11 | 55 Ų | 55 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -33.9 | 175.2 | 178.1 | 88.2 | 0 | 0 | 0 | 112.3 | T1414 R1415 F1416 I1562 I1649 V1837 W1858 I1873 I1875 | W1412-T1414 VanDerWaalsContact C-N 3.28Å; W1412-T1414 PolarHBondContact O-N 3.19Å; W1412-R1415 WeakPolarHBondContact O-CB 3.48Å; W1412-R1415 PolarHBondContact O-N 2.96Å; W1412-R1415 VanDerWaalsContact O-N 3.15Å; W1412-F1416 HydrophobicContact CE3-CB 4.26Å; W1412-F1416 HydrophobicContact CH2-CB 3.63Å; W1412-F1416 HydrophobicContact CH2-CD1 4.29Å; W1412-F1416 AromaticContact CH2-CD2 3.65Å; W1412-F1416 HydrophobicContact CH2-CD2 3.65Å; W1412-F1416 HydrophobicContact CH2-CE2 4.4Å; W1412-F1416 AromaticContact CH2-CG 3.58Å; W1412-F1416 HydrophobicContact CH2-CG 3.58Å; W1412-F1416 HydrophobicContact CZ2-CB 4.03Å; W1412-F1416 HydrophobicContact CZ2-CD2 4.03Å; W1412-F1416 HydrophobicContact CZ2-CG 4.23Å; W1412-F1416 HydrophobicContact CZ3-CB 3.76Å; W1412-F1416 HydrophobicContact CZ3-CD1 4.45Å; W1412-F1416 HydrophobicContact CZ3-CG 4Å; W1412-F1416 PolarHBondContact O-N 2.83Å; W1412-I1562 HydrophobicContact CZ2-CD1 4.26Å; W1412-I1649 HydrophobicContact CH2-CD1 3.79Å; W1412-I1649 HydrophobicContact CH2-CG1 3.82Å; W1412-I1649 HydrophobicContact CH2-CG2 4.16Å; W1412-I1649 HydrophobicContact CZ2-CD1 4.28Å; W1412-I1649 HydrophobicContact CZ3-CG2 4.38Å; W1412-V1837 HydrophobicContact CZ2-CG2 4.44Å; W1412-W1858 HydrophobicContact CD2-CH2 4.41Å; W1412-W1858 AromaticContact CE2-CH2 3.58Å; W1412-W1858 HydrophobicContact CH2-CH2 4.23Å; W1412-W1858 AromaticContact CH2-CZ3 3.94Å; W1412-W1858 HydrophobicContact CH2-CZ3 3.94Å; W1412-W1858 AromaticContact CZ2-CH2 3.48Å; W1412-W1858 HydrophobicContact CZ2-CH2 3.48Å; W1412-W1858 VanDerWaalsContact CZ2-CH2 3.48Å; W1412-W1858 AromaticContact CZ2-CZ3 3.39Å; W1412-W1858 HydrophobicContact CZ2-CZ3 3.39Å; W1412-W1858 AromaticContact NE1-CH2 3.73Å; W1412-I1873 HydrophobicContact CB-CG2 4.12Å; W1412-I1873 HydrophobicContact CG-CG2 4.02Å; W1412-I1875 HydrophobicContact CD2-CG2 3.79Å; W1412-I1875 HydrophobicContact CE3-CB 4.08Å; W1412-I1875 HydrophobicContact CE3-CG2 3.77Å; W1412-I1875 HydrophobicContact CG-CG2 4.19Å; W1412-I1875 HydrophobicContact CZ3-CB 4.34Å; W1412-I1875 HydrophobicContact CZ3-CG2 4.27Å |
| 1413 | W | 76.6 | Confident | 66.7 | Low | 11 Ų | 11 | 54.3 Ų | 54.3 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -28.7 | 175.8 | -85.8 | 103 | 0 | 0 | 0 | 112.7 | D1411 R1415 F1416 Y1417 I1649 V1690 I1875 S1876 | D1411-W1413 PolarHBondContact O-N 3.49Å; D1411-W1413 VanDerWaalsContact OD1-CA 3.3Å; D1411-W1413 WeakPolarHBondContact OD1-CA 3.4Å; D1411-W1413 VanDerWaalsContact OD1-CB 3.32Å; D1411-W1413 WeakPolarHBondContact OD1-CB 3.5Å; D1411-W1413 PolarHBondContact OD1-N 3.32Å; W1413-R1415 VanDerWaalsContact C-N 3.33Å; W1413-R1415 PolarHBondContact O-N 3.44Å; W1413-F1416 AromaticContact CE3-CD1 3.79Å; W1413-F1416 HydrophobicContact CE3-CD1 3.79Å; W1413-F1416 HydrophobicContact CH2-CD1 4.4Å; W1413-F1416 AromaticContact CZ3-CD1 3.54Å; W1413-F1416 HydrophobicContact CZ3-CD1 3.54Å; W1413-F1416 AromaticContact CZ3-CE1 3.91Å; W1413-F1416 HydrophobicContact CZ3-CE1 3.91Å; W1413-F1416 PolarHBondContact O-N 2.91Å; W1413-Y1417 HydrophobicContact CB-CD2 4.29Å; W1413-Y1417 HydrophobicContact CD2-CE2 4.27Å; W1413-Y1417 AromaticContact CE3-CD2 3.71Å; W1413-Y1417 HydrophobicContact CE3-CD2 3.71Å; W1413-Y1417 AromaticContact CE3-CE2 3.46Å; W1413-Y1417 HydrophobicContact CE3-CE2 3.46Å; W1413-Y1417 VanDerWaalsContact CE3-CE2 3.46Å; W1413-Y1417 HydrophobicContact CZ3-CD2 4.47Å; W1413-Y1417 AromaticContact CZ3-CE2 3.99Å; W1413-Y1417 HydrophobicContact CZ3-CE2 3.99Å; W1413-Y1417 WeakPolarHBondContact O-CB 3.34Å; W1413-Y1417 WeakPolarHBondContact O-CD2 3.3Å; W1413-Y1417 PolarHBondContact O-N 2.86Å; W1413-I1649 HydrophobicContact CH2-CG2 3.7Å; W1413-I1649 HydrophobicContact CZ2-CG2 4.08Å; W1413-I1649 HydrophobicContact CZ3-CG2 4.4Å; W1413-V1690 HydrophobicContact CH2-CG1 3.74Å; W1413-V1690 HydrophobicContact CZ2-CG1 3.84Å; W1413-I1875 PolarHBondContact NE1-O 2.68Å; W1413-S1876 PolarHBondContact NE1-O 3.25Å |
| 1414 | T | 75.7 | Confident | 65.8 | Low | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.129 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 172.4 | -45.7 | 0 | 0 | 0 | 0 | 109.7 | D1411 W1412 V1418 V1559 R1878 | D1411-T1414 PolarHBondContact N-OG1 2.93Å; D1411-T1414 WeakPolarHBondContact O-CB 3.5Å; D1411-T1414 PolarHBondContact O-N 3.01Å; D1411-T1414 PolarHBondContact O-OG1 3.08Å; D1411-T1414 PolarHBondContact OD1-N 3.27Å; D1411-T1414 PolarHBondContact OD1-OG1 3.27Å; W1412-T1414 VanDerWaalsContact C-N 3.28Å; W1412-T1414 PolarHBondContact O-N 3.19Å; T1414-V1418 WeakPolarHBondContact O-CB 3.43Å; T1414-V1418 VanDerWaalsContact O-CG2 3.32Å; T1414-V1418 WeakPolarHBondContact O-CG2 3.27Å; T1414-V1418 PolarHBondContact O-N 3Å; T1414-V1559 HydrophobicContact CG2-CB 4.31Å; T1414-V1559 HydrophobicContact CG2-CG1 3.73Å; T1414-V1559 HydrophobicContact CG2-CG2 3.55Å; T1414-R1878 PolarHBondContact OG1-NH2 3.16Å |
| 1415 | R | 79.4 | Confident | 64.5 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 176.5 | -60 | -171.7 | 66.1 | -158.4 | -6.8 | 111.4 | W1412 W1413 T1419 V1559 E1560 T1561 I1562 Y1753 E1835 | W1412-R1415 WeakPolarHBondContact O-CB 3.48Å; W1412-R1415 PolarHBondContact O-N 2.96Å; W1412-R1415 VanDerWaalsContact O-N 3.15Å; W1413-R1415 VanDerWaalsContact C-N 3.33Å; W1413-R1415 PolarHBondContact O-N 3.44Å; R1415-T1419 WeakPolarHBondContact O-CB 3.4Å; R1415-T1419 PolarHBondContact O-N 2.9Å; R1415-T1419 PolarHBondContact O-OG1 3.33Å; R1415-V1559 HydrophobicContact CG-CG1 4.2Å; R1415-E1560 VanDerWaalsContact CB-O 3.26Å; R1415-E1560 WeakPolarHBondContact CB-O 3.48Å; R1415-E1560 WeakPolarHBondContact CG-O 2.99Å; R1415-E1560 PolarHBondContact NE-O 2.58Å; R1415-T1561 PolarHBondContact NH2-O 2.72Å; R1415-I1562 HydrophobicContact CB-CD1 3.66Å; R1415-I1562 HydrophobicContact CB-CG1 4.11Å; R1415-Y1753 HydrophobicContact CG-CD2 3.84Å; R1415-Y1753 HydrophobicContact CG-CE2 3.52Å; R1415-E1835 IonicContact CZ-OE1 2.67Å; R1415-E1835 IonicContact CZ-OE2 3.54Å; R1415-E1835 IonicContact NH1-OE1 2.75Å; R1415-E1835 PolarHBondContact NH1-OE1 3.19Å; R1415-E1835 IonicContact NH1-OE2 2.71Å; R1415-E1835 PolarHBondContact NH1-OE2 3.24Å; R1415-E1835 VanDerWaalsContact NH1-OE2 3.13Å; R1415-E1835 IonicContact NH2-OE1 3.86Å; R1415-E1835 IonicContact NH2-OE2 2.65Å; R1415-E1835 PolarHBondContact NH2-OE2 2.93Å |
| 1416 | F | 80.7 | Confident | 63.3 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | -178.4 | -173.7 | -103 | 0 | 0 | 0 | 112.5 | W1412 W1413 T1419 I1420 I1649 V1837 | W1412-F1416 HydrophobicContact CE3-CB 4.26Å; W1412-F1416 HydrophobicContact CH2-CB 3.63Å; W1412-F1416 HydrophobicContact CH2-CD1 4.29Å; W1412-F1416 AromaticContact CH2-CD2 3.65Å; W1412-F1416 HydrophobicContact CH2-CD2 3.65Å; W1412-F1416 HydrophobicContact CH2-CE2 4.4Å; W1412-F1416 AromaticContact CH2-CG 3.58Å; W1412-F1416 HydrophobicContact CH2-CG 3.58Å; W1412-F1416 HydrophobicContact CZ2-CB 4.03Å; W1412-F1416 HydrophobicContact CZ2-CD2 4.03Å; W1412-F1416 HydrophobicContact CZ2-CG 4.23Å; W1412-F1416 HydrophobicContact CZ3-CB 3.76Å; W1412-F1416 HydrophobicContact CZ3-CD1 4.45Å; W1412-F1416 HydrophobicContact CZ3-CG 4Å; W1412-F1416 PolarHBondContact O-N 2.83Å; W1413-F1416 AromaticContact CE3-CD1 3.79Å; W1413-F1416 HydrophobicContact CE3-CD1 3.79Å; W1413-F1416 HydrophobicContact CH2-CD1 4.4Å; W1413-F1416 AromaticContact CZ3-CD1 3.54Å; W1413-F1416 HydrophobicContact CZ3-CD1 3.54Å; W1413-F1416 AromaticContact CZ3-CE1 3.91Å; W1413-F1416 HydrophobicContact CZ3-CE1 3.91Å; W1413-F1416 PolarHBondContact O-N 2.91Å; F1416-T1419 WeakPolarHBondContact O-CB 3.38Å; F1416-T1419 PolarHBondContact O-N 3.46Å; F1416-I1420 HydrophobicContact CD1-CD1 4.42Å; F1416-I1420 HydrophobicContact CE1-CD1 4.12Å; F1416-I1420 HydrophobicContact CE1-CG2 4.23Å; F1416-I1420 HydrophobicContact CE2-CG2 4.29Å; F1416-I1420 HydrophobicContact CZ-CG2 4.04Å; F1416-I1420 PolarHBondContact O-N 2.99Å; F1416-I1649 HydrophobicContact CD1-CG2 4.44Å; F1416-I1649 HydrophobicContact CD2-CD1 4.36Å; F1416-I1649 HydrophobicContact CE1-CG2 3.96Å; F1416-I1649 HydrophobicContact CE2-CD1 3.86Å; F1416-I1649 HydrophobicContact CZ-CD1 4.23Å; F1416-I1649 HydrophobicContact CZ-CG2 4.04Å; F1416-V1837 HydrophobicContact CD2-CG2 4.38Å; F1416-V1837 HydrophobicContact CE2-CG2 4.28Å |
| 1417 | Y | 72.8 | Confident | 61.6 | Low | 64 Ų | 64 | 61.1 Ų | 61.1 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.1 | -87.9 | -63.8 | 0 | 0 | 0 | 112.8 | W1413 T1419 I1420 R1421 E1954 | W1413-Y1417 HydrophobicContact CB-CD2 4.29Å; W1413-Y1417 HydrophobicContact CD2-CE2 4.27Å; W1413-Y1417 AromaticContact CE3-CD2 3.71Å; W1413-Y1417 HydrophobicContact CE3-CD2 3.71Å; W1413-Y1417 AromaticContact CE3-CE2 3.46Å; W1413-Y1417 HydrophobicContact CE3-CE2 3.46Å; W1413-Y1417 VanDerWaalsContact CE3-CE2 3.46Å; W1413-Y1417 HydrophobicContact CZ3-CD2 4.47Å; W1413-Y1417 AromaticContact CZ3-CE2 3.99Å; W1413-Y1417 HydrophobicContact CZ3-CE2 3.99Å; W1413-Y1417 WeakPolarHBondContact O-CB 3.34Å; W1413-Y1417 WeakPolarHBondContact O-CD2 3.3Å; W1413-Y1417 PolarHBondContact O-N 2.86Å; Y1417-T1419 VanDerWaalsContact C-N 3.29Å; Y1417-T1419 PolarHBondContact O-N 3.41Å; Y1417-I1420 HydrophobicContact CD1-CD1 3.98Å; Y1417-I1420 HydrophobicContact CD1-CG1 4.43Å; Y1417-I1420 HydrophobicContact CE1-CD1 4.37Å; Y1417-I1420 WeakPolarHBondContact O-CG1 3.46Å; Y1417-I1420 PolarHBondContact O-N 3.28Å; Y1417-R1421 WeakPolarHBondContact O-CB 3.18Å; Y1417-R1421 PolarHBondContact O-N 2.88Å; Y1417-E1954 HydrophobicContact CE2-CG 4.22Å; Y1417-E1954 PolarHBondContact OH-OE1 2.81Å |
| 1418 | V | 70.6 | Confident | 59.8 | Low | 27 Ų | 27 | 63 Ų | 63 | 16% | 0.164 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 173.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | T1414 S1422 V1559 T1561 | T1414-V1418 WeakPolarHBondContact O-CB 3.43Å; T1414-V1418 VanDerWaalsContact O-CG2 3.32Å; T1414-V1418 WeakPolarHBondContact O-CG2 3.27Å; T1414-V1418 PolarHBondContact O-N 3Å; V1418-S1422 VanDerWaalsContact O-CB 3.27Å; V1418-S1422 WeakPolarHBondContact O-CB 3.42Å; V1418-S1422 PolarHBondContact O-N 2.81Å; V1418-S1422 PolarHBondContact O-OG 3.23Å; V1418-V1559 HydrophobicContact CB-CG1 4.09Å; V1418-V1559 HydrophobicContact CG1-CG1 4.48Å; V1418-V1559 HydrophobicContact CG2-CB 4.17Å; V1418-V1559 HydrophobicContact CG2-CG1 3.97Å; V1418-V1559 HydrophobicContact CG2-CG2 4.36Å; V1418-T1561 HydrophobicContact CG1-CG2 4.22Å |
| 1419 | T | 73.1 | Confident | 58 | Low | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | R1415 F1416 Y1417 G1423 T1561 I1562 V1564 | R1415-T1419 WeakPolarHBondContact O-CB 3.4Å; R1415-T1419 PolarHBondContact O-N 2.9Å; R1415-T1419 PolarHBondContact O-OG1 3.33Å; F1416-T1419 WeakPolarHBondContact O-CB 3.38Å; F1416-T1419 PolarHBondContact O-N 3.46Å; Y1417-T1419 VanDerWaalsContact C-N 3.29Å; Y1417-T1419 PolarHBondContact O-N 3.41Å; T1419-G1423 WeakPolarHBondContact O-CA 3.41Å; T1419-G1423 PolarHBondContact O-N 2.99Å; T1419-T1561 VanDerWaalsContact OG1-CA 3.26Å; T1419-T1561 WeakPolarHBondContact OG1-CA 3.41Å; T1419-I1562 WeakPolarHBondContact CG2-O 3.34Å; T1419-I1562 PolarHBondContact OG1-N 3.45Å; T1419-V1564 HydrophobicContact CG2-CG2 3.62Å |
| 1420 | I | 68.4 | Low | 56.2 | Low | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.3 | -32.2 | 178.9 | 66.3 | -176.5 | 0 | 0 | 0 | 112.3 | F1416 Y1417 G1423 E1424 | F1416-I1420 HydrophobicContact CD1-CD1 4.42Å; F1416-I1420 HydrophobicContact CE1-CD1 4.12Å; F1416-I1420 HydrophobicContact CE1-CG2 4.23Å; F1416-I1420 HydrophobicContact CE2-CG2 4.29Å; F1416-I1420 HydrophobicContact CZ-CG2 4.04Å; F1416-I1420 PolarHBondContact O-N 2.99Å; Y1417-I1420 HydrophobicContact CD1-CD1 3.98Å; Y1417-I1420 HydrophobicContact CD1-CG1 4.43Å; Y1417-I1420 HydrophobicContact CE1-CD1 4.37Å; Y1417-I1420 WeakPolarHBondContact O-CG1 3.46Å; Y1417-I1420 PolarHBondContact O-N 3.28Å; I1420-G1423 CarbonylContact O-C 3.56Å; I1420-E1424 WeakPolarHBondContact O-CG 3.49Å; I1420-E1424 PolarHBondContact O-N 3.27Å |
| 1421 | R | 60.5 | Low | 54.2 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.9 | -47.4 | 171.6 | -78.8 | -166.8 | -179.2 | -169.2 | 5.3 | 113.3 | Y1417 G1423 E1424 T1425 | Y1417-R1421 WeakPolarHBondContact O-CB 3.18Å; Y1417-R1421 PolarHBondContact O-N 2.88Å; R1421-G1423 PolarHBondContact O-N 3.48Å; R1421-E1424 CarbonylContact O-C 3.59Å; R1421-E1424 WeakPolarHBondContact O-CA 3.43Å; R1421-E1424 WeakPolarHBondContact O-CB 3.19Å; R1421-E1424 PolarHBondContact O-N 3.01Å; R1421-T1425 PolarHBondContact O-N 3.33Å |
| 1422 | S | 49 | Very low | 51.9 | Low | 33 Ų | 33 | 79.2 Ų | 79.2 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.3 | -23.3 | 175.3 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | V1418 T1425 N1426 | V1418-S1422 VanDerWaalsContact O-CB 3.27Å; V1418-S1422 WeakPolarHBondContact O-CB 3.42Å; V1418-S1422 PolarHBondContact O-N 2.81Å; V1418-S1422 PolarHBondContact O-OG 3.23Å; S1422-T1425 WeakPolarHBondContact CA-OG1 3.49Å; S1422-T1425 PolarHBondContact O-N 3.24Å; S1422-T1425 PolarHBondContact O-OG1 2.87Å; S1422-T1425 VanDerWaalsContact O-OG1 3.11Å; S1422-N1426 WeakPolarHBondContact O-CB 3.22Å; S1422-N1426 PolarHBondContact O-N 2.87Å; S1422-N1426 PolarHBondContact O-ND2 3.39Å; S1422-N1426 VanDerWaalsContact O-ND2 3.12Å |
| 1423 | G | 40.6 | Very low | 49.2 | Very low | 22 Ų | 22 | 89 Ų | 89 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1419 I1420 R1421 T1425 N1426 F1427 | T1419-G1423 WeakPolarHBondContact O-CA 3.41Å; T1419-G1423 PolarHBondContact O-N 2.99Å; I1420-G1423 CarbonylContact O-C 3.56Å; R1421-G1423 PolarHBondContact O-N 3.48Å; G1423-T1425 PolarHBondContact O-N 3.41Å; G1423-N1426 CarbonylContact O-C 3.55Å; G1423-N1426 PolarHBondContact O-N 3.25Å; G1423-F1427 WeakPolarHBondContact O-CB 3.35Å; G1423-F1427 WeakPolarHBondContact O-CD2 2.97Å; G1423-F1427 PolarHBondContact O-N 2.94Å |
| 1424 | E | 38.3 | Very low | 46.8 | Very low | 149 Ų | 149 | 91 Ų | 91 | 70% | 0.696 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.7 | -17.6 | 175.2 | -74.2 | 171.2 | 169.1 | 0 | 0 | 114.2 | I1420 R1421 | I1420-E1424 WeakPolarHBondContact O-CG 3.49Å; I1420-E1424 PolarHBondContact O-N 3.27Å; R1421-E1424 CarbonylContact O-C 3.59Å; R1421-E1424 WeakPolarHBondContact O-CA 3.43Å; R1421-E1424 WeakPolarHBondContact O-CB 3.19Å; R1421-E1424 PolarHBondContact O-N 3.01Å |
| 1425 | T | 31.6 | Very low | 44.4 | Very low | 109 Ų | 109 | 96 Ų | 96 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -94 | -15.5 | 170.1 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | R1421 S1422 G1423 | R1421-T1425 PolarHBondContact O-N 3.33Å; S1422-T1425 WeakPolarHBondContact CA-OG1 3.49Å; S1422-T1425 PolarHBondContact O-N 3.24Å; S1422-T1425 PolarHBondContact O-OG1 2.87Å; S1422-T1425 VanDerWaalsContact O-OG1 3.11Å; G1423-T1425 PolarHBondContact O-N 3.41Å |
| 1426 | N | 31.1 | Very low | 41.8 | Very low | 132 Ų | 132 | 100.3 Ų | 100.3 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -112.2 | -7.5 | 175.4 | -74.6 | -72 | 0 | 0 | 0 | 113.8 | S1422 G1423 D1428 | S1422-N1426 WeakPolarHBondContact O-CB 3.22Å; S1422-N1426 PolarHBondContact O-N 2.87Å; S1422-N1426 PolarHBondContact O-ND2 3.39Å; S1422-N1426 VanDerWaalsContact O-ND2 3.12Å; G1423-N1426 CarbonylContact O-C 3.55Å; G1423-N1426 PolarHBondContact O-N 3.25Å; N1426-D1428 VanDerWaalsContact C-N 3.3Å; N1426-D1428 PolarHBondContact O-N 3.49Å |
| 1427 | F | 30.6 | Very low | 39.2 | Very low | 158 Ų | 158 | 102.3 Ų | 102.3 | 69% | 0.693 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -64.5 | 101.2 | 151.2 | -94.7 | -71.8 | 0 | 0 | 0 | 106.3 | G1423 D1429 | G1423-F1427 WeakPolarHBondContact O-CB 3.35Å; G1423-F1427 WeakPolarHBondContact O-CD2 2.97Å; G1423-F1427 PolarHBondContact O-N 2.94Å; F1427-D1429 PolarHBondContact O-N 2.79Å |
| 1428 | D | 26 | Very low | 37.1 | Very low | 123 Ų | 123 | 104 Ų | 104 | 66% | 0.658 | 53% | 0.531 | S | S | * | . | trans | -71.3 | 72.9 | -169.2 | -167.3 | 7.4 | 0 | 0 | 0 | 111.2 | N1426 S1430 | N1426-D1428 VanDerWaalsContact C-N 3.3Å; N1426-D1428 PolarHBondContact O-N 3.49Å; D1428-S1430 PolarHBondContact O-N 3.39Å; D1428-S1430 WeakPolarHBondContact OD1-CB 3.46Å; D1428-S1430 PolarHBondContact OD1-OG 3.39Å; D1428-S1430 PolarHBondContact OD2-OG 3.11Å | ||
| 1429 | D | 24.9 | Very low | 34.9 | Very low | 99 Ų | 99 | 106.6 Ų | 106.6 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | trans | -68.5 | 16.5 | 173.6 | -100.2 | -9.4 | 0 | 0 | 0 | 112.4 | F1427 R1431 Y1432 | F1427-D1429 PolarHBondContact O-N 2.79Å; D1429-R1431 PolarHBondContact O-N 3.41Å; D1429-Y1432 CarbonylContact O-C 3.58Å; D1429-Y1432 PolarHBondContact O-N 3.36Å | ||
| 1430 | S | 25.5 | Very low | 32.6 | Very low | 96 Ų | 96 | 110.4 Ų | 110.4 | 67% | 0.671 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 7.1 | 163.6 | 72.4 | 0 | 0 | 0 | 0 | 114.4 | D1428 | D1428-S1430 PolarHBondContact O-N 3.39Å; D1428-S1430 WeakPolarHBondContact OD1-CB 3.46Å; D1428-S1430 PolarHBondContact OD1-OG 3.39Å; D1428-S1430 PolarHBondContact OD2-OG 3.11Å |
| 1431 | R | 26.3 | Very low | 30.5 | Very low | 219 Ų | 219 | 115.6 Ų | 115.6 | 83% | 0.826 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -15.4 | 162.8 | -98.3 | -173.3 | -73.9 | -167.7 | -2.3 | 116.6 | D1429 | D1429-R1431 PolarHBondContact O-N 3.41Š|
| 1432 | Y | 26.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 113.5 Ų | 113.5 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | trans | -148.5 | 84.1 | 172.7 | -78.5 | -73.4 | 0 | 0 | 0 | 113 | D1429 | D1429-Y1432 CarbonylContact O-C 3.58Å; D1429-Y1432 PolarHBondContact O-N 3.36Å | ||
| 1433 | K | 25.4 | Very low | 27.7 | Very low | 217 Ų | 217 | 119.6 Ų | 119.6 | 94% | 0.943 | 62% | 0.623 | S | S | * | * | trans | -93 | 123 | 140.8 | -95.8 | -152.7 | 172 | -161.6 | 0 | 107.8 | ||||
| 1434 | G | 24.9 | Very low | 27 | Very low | 52 Ų | 52 | 124.4 Ų | 124.4 | 54% | 0.536 | 64% | 0.644 | S | S | . | * | trans | 124.2 | 116.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1435 | E | 26.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | cis | -134.4 | 151.5 | -4.9 | -68.9 | 170 | 140 | 0 | 0 | 109.2 | D359 | D359-E1435 WeakPolarHBondContact OD1-CB 3.3Š| ||
| 1436 | V | 25.4 | Very low | 26.3 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | trans | -146.9 | 92.1 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | K357 D359 | K357-V1436 HydrophobicContact CB-CG1 4.49Å; K357-V1436 HydrophobicContact CD-CB 4.35Å; K357-V1436 HydrophobicContact CD-CG1 3.4Å; K357-V1436 VanDerWaalsContact CD-CG1 3.4Å; K357-V1436 HydrophobicContact CD-CG2 4.01Å; D359-V1436 PolarHBondContact OD1-N 3.4Å | ||
| 1437 | N | 26 | Very low | 26.2 | Very low | 44 Ų | 44 | 106.1 Ų | 106.1 | 24% | 0.235 | 55% | 0.547 | C | S | . | . | trans | -82.4 | 130 | 164.9 | -97.4 | -53.7 | 0 | 0 | 0 | 112.5 | D359 H360 D361 | D359-N1437 HydrophobicContact CB-CB 4.49Å; D359-N1437 WeakPolarHBondContact OD1-CB 3.4Å; D359-N1437 PolarHBondContact OD1-N 2.97Å; D359-N1437 PolarHBondContact OD2-ND2 3.44Å; H360-N1437 HydrophobicContact CB-CB 4.27Å; D361-N1437 VanDerWaalsContact CB-ND2 3.26Å; D361-N1437 WeakPolarHBondContact CB-ND2 3.37Å; D361-N1437 PolarHBondContact N-ND2 2.93Å; D361-N1437 PolarHBondContact OD2-ND2 2.93Å; D361-N1437 PolarHBondContact OD2-OD1 2.83Å | ||
| 1438 | P | 28.2 | Very low | 25.9 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | trans | -99.7 | 123.1 | 158.5 | 34.2 | -23.8 | 0 | 0 | 0 | 110.2 | ||||
| 1439 | L | 23.8 | Very low | 26.3 | Very low | 81 Ų | 81 | 96.7 Ų | 96.7 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | trans | -148.9 | 147 | 176.5 | -112.3 | 170.2 | 0 | 0 | 0 | 110.7 | H360 | H360-L1439 HydrophobicContact CB-CB 3.69Å; H360-L1439 HydrophobicContact CB-CD1 3.51Å; H360-L1439 HydrophobicContact CB-CG 4.22Å; H360-L1439 PolarHBondContact CE1-O 3.07Å; H360-L1439 VanDerWaalsContact CG-CB 3.48Å | ||
| 1440 | T | 26 | Very low | 26.8 | Very low | 92 Ų | 92 | 93.6 Ų | 93.6 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | trans | 61.8 | 143.7 | 166.9 | 64.1 | 0 | 0 | 0 | 0 | 118 | H360 | H360-T1440 PolarHBondContact CE1-OG1 3.02Š| ||
| 1441 | E | 23.7 | Very low | 26.6 | Very low | 148 Ų | 148 | 89.1 Ų | 89.1 | 69% | 0.692 | 45% | 0.452 | S | S | * | . | cis | -172.8 | -173 | -29.1 | -122.4 | 142.8 | -124.5 | 0 | 0 | 108.3 | ||||
| 1442 | S | 27.3 | Very low | 26.5 | Very low | 108 Ų | 108 | 79.7 Ų | 79.7 | 76% | 0.755 | 42% | 0.417 | S | S | * | . | trans | 64.9 | 105.8 | -163.7 | 61 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1443 | E | 24.1 | Very low | 26.6 | Very low | 161 Ų | 161 | 72.2 Ų | 72.2 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | cis | 71.9 | 147 | 31.5 | -45.9 | -165.1 | 117.8 | 0 | 0 | 115.3 | ||||
| 1444 | D | 25.6 | Very low | 26.5 | Very low | 124 Ų | 124 | 64 Ų | 64 | 66% | 0.663 | 35% | 0.354 | S | S | * | . | trans | 55.1 | 129.1 | -162.5 | -69.5 | -28.5 | 0 | 0 | 0 | 116.1 | ||||
| 1445 | S | 24.1 | Very low | 26.6 | Very low | 6 Ų | 6 | 67.2 Ų | 67.2 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | cis | -164.1 | -134.5 | -9.8 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | W1916 D1923 D1924 | S1445-W1916 WeakPolarHBondContact O-CB 3.39Å; S1445-D1923 PolarHBondContact N-OD1 2.9Å; S1445-D1923 WeakPolarHBondContact OG-CA 3.29Å; S1445-D1923 WeakPolarHBondContact OG-CB 3.33Å; S1445-D1923 PolarHBondContact OG-O 2.73Å; S1445-D1923 VanDerWaalsContact OG-O 3.12Å; S1445-D1924 WeakPolarHBondContact CB-OD2 3.46Å; S1445-D1924 WeakPolarHBondContact OG-CA 3.34Å; S1445-D1924 VanDerWaalsContact OG-CB 3.29Å; S1445-D1924 WeakPolarHBondContact OG-CB 3.44Å; S1445-D1924 PolarHBondContact OG-N 2.91Å; S1445-D1924 PolarHBondContact OG-OD2 2.82Å | ||
| 1446 | D | 30.8 | Very low | 26.5 | Very low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -101.1 | 151.8 | -146.4 | -19.1 | -59.5 | 0 | 0 | 0 | 116.3 | K1914 G1915 W1916 I1922 D1923 D1924 Q1925 | D1446-K1914 WeakPolarHBondContact OD1-CB 3.34Å; D1446-K1914 VanDerWaalsContact OD1-CD 3.28Å; D1446-K1914 WeakPolarHBondContact OD1-CD 3.25Å; D1446-K1914 WeakPolarHBondContact OD1-CE 3.44Å; D1446-K1914 VanDerWaalsContact OD1-CG 3.3Å; D1446-K1914 WeakPolarHBondContact OD1-CG 3.47Å; D1446-K1914 IonicContact OD1-NZ 2.62Å; D1446-K1914 PolarHBondContact OD1-NZ 2.75Å; D1446-K1914 VanDerWaalsContact OD2-CE 3.28Å; D1446-K1914 WeakPolarHBondContact OD2-CE 3.45Å; D1446-K1914 WeakPolarHBondContact OD2-CG 3.44Å; D1446-K1914 IonicContact OD2-NZ 3.74Å; D1446-K1914 PolarHBondContact OD2-NZ 2.83Å; D1446-G1915 CarbonylContact C-O 3.35Å; D1446-G1915 WeakPolarHBondContact CA-O 3.44Å; D1446-G1915 WeakPolarHBondContact CB-O 3.42Å; D1446-W1916 HydrophobicContact CB-CE3 4.48Å; D1446-I1922 CarbonylContact C-O 2.93Å; D1446-I1922 VanDerWaalsContact C-O 3.28Å; D1446-I1922 CarbonylContact O-C 3.59Å; D1446-D1923 CarbonylContact O-C 3.48Å; D1446-D1924 VanDerWaalsContact N-N 3.16Å; D1446-D1924 WeakPolarHBondContact O-CA 3.47Å; D1446-D1924 PolarHBondContact O-N 2.86Å; D1446-D1924 VanDerWaalsContact OD2-C 3.24Å; D1446-D1924 VanDerWaalsContact OD2-CA 3.27Å; D1446-D1924 WeakPolarHBondContact OD2-CA 3.26Å; D1446-D1924 VanDerWaalsContact OD2-CG 3.31Å; D1446-Q1925 WeakPolarHBondContact CB-O 3.39Å; D1446-Q1925 PolarHBondContact O-N 3.37Å; D1446-Q1925 PolarHBondContact OD2-N 2.79Å | ||
| 1447 | I | 27.8 | Very low | 26.3 | Very low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | 95.2 | 70.3 | 113.8 | -60 | 168.3 | 0 | 0 | 0 | 115.4 | G1915 Q1925 F1944 F1946 L1978 L1980 | I1447-G1915 WeakPolarHBondContact CB-O 3.41Å; I1447-G1915 WeakPolarHBondContact CD1-O 3.38Å; I1447-G1915 WeakPolarHBondContact CG1-O 3.49Å; I1447-G1915 PolarHBondContact N-O 3.38Å; I1447-Q1925 HydrophobicContact CB-CB 4.3Å; I1447-Q1925 HydrophobicContact CG2-CB 3.67Å; I1447-Q1925 WeakPolarHBondContact CG2-O 3.41Å; I1447-Q1925 WeakPolarHBondContact O-CB 3.25Å; I1447-Q1925 WeakPolarHBondContact O-CG 3.36Å; I1447-Q1925 PolarHBondContact O-NE2 3.46Å; I1447-F1944 HydrophobicContact CD1-CD2 4Å; I1447-F1944 HydrophobicContact CD1-CE2 4.32Å; I1447-F1944 HydrophobicContact CG2-CB 3.66Å; I1447-F1944 HydrophobicContact CG2-CD1 3.16Å; I1447-F1944 HydrophobicContact CG2-CD2 3.6Å; I1447-F1944 HydrophobicContact CG2-CE1 3.38Å; I1447-F1944 HydrophobicContact CG2-CE2 3.8Å; I1447-F1944 HydrophobicContact CG2-CG 3.27Å; I1447-F1944 HydrophobicContact CG2-CZ 3.69Å; I1447-F1946 HydrophobicContact CG1-CE2 4.44Å; I1447-L1978 HydrophobicContact CD1-CD1 4.25Å; I1447-L1980 HydrophobicContact CD1-CD2 3.84Å | |||
| 1448 | E | 25.8 | Very low | 26.3 | Very low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | 44.1 | 109.1 | 131.6 | -88.7 | 163.1 | -160.8 | 0 | 0 | 119.7 | V1887 Q1925 F1944 I1945 F1946 L1978 | E1448-V1887 WeakPolarHBondContact OE1-CG2 3.46Å; E1448-V1887 VanDerWaalsContact OE2-CB 3.24Å; E1448-V1887 WeakPolarHBondContact OE2-CB 3.29Å; E1448-V1887 WeakPolarHBondContact OE2-CG2 3.33Å; E1448-Q1925 PolarHBondContact O-NE2 3.38Å; E1448-Q1925 PolarHBondContact O-OE1 2.99Å; E1448-F1944 HydrophobicContact CB-CB 3.72Å; E1448-F1944 HydrophobicContact CG-CB 4.23Å; E1448-F1944 WeakPolarHBondContact OE2-CB 3.27Å; E1448-I1945 VanDerWaalsContact C-CG1 3.43Å; E1448-I1945 CarbonylContact C-O 3.56Å; E1448-I1945 WeakPolarHBondContact CA-O 3.43Å; E1448-I1945 HydrophobicContact CB-CG1 4.06Å; E1448-I1945 WeakPolarHBondContact CB-O 3.46Å; E1448-I1945 VanDerWaalsContact CG-N 3.31Å; E1448-I1945 WeakPolarHBondContact CG-O 3.32Å; E1448-I1945 VanDerWaalsContact O-CD1 3.27Å; E1448-I1945 WeakPolarHBondContact O-CD1 3.49Å; E1448-I1945 WeakPolarHBondContact O-CG1 3.49Å; E1448-I1945 PolarHBondContact OE2-N 3.05Å; E1448-F1946 HydrophobicContact CB-CB 4.4Å; E1448-F1946 HydrophobicContact CB-CD2 4.06Å; E1448-F1946 HydrophobicContact CB-CE2 4.35Å; E1448-F1946 HydrophobicContact CB-CG 4.16Å; E1448-F1946 HydrophobicContact CG-CB 3.49Å; E1448-F1946 VanDerWaalsContact CG-CB 3.49Å; E1448-F1946 HydrophobicContact CG-CD1 4.43Å; E1448-F1946 HydrophobicContact CG-CD2 3.26Å; E1448-F1946 HydrophobicContact CG-CE2 3.93Å; E1448-F1946 HydrophobicContact CG-CG 3.5Å; E1448-L1978 VanDerWaalsContact OE1-CD1 3.29Å; E1448-L1978 WeakPolarHBondContact OE1-CD1 3.49Å | ||
| 1449 | E | 33.2 | Very low | 26 | Very low | 82 Ų | 82 | 75.7 Ų | 75.7 | 38% | 0.383 | 40% | 0.397 | S | S | . | . | trans | -116.5 | 167.5 | 166.8 | -148.7 | -86.8 | 115.3 | 0 | 0 | 115.8 | I1922 I1945 P1947 | E1449-I1922 HydrophobicContact CB-CD1 3.33Å; E1449-I1922 HydrophobicContact CG-CD1 4.08Å; E1449-I1945 VanDerWaalsContact C-CG1 3.42Å; E1449-I1945 CarbonylContact C-O 3.54Å; E1449-I1945 PolarHBondContact N-O 2.87Å; E1449-I1945 CarbonylContact O-C 3.56Å; E1449-I1945 WeakPolarHBondContact O-CB 3.32Å; E1449-I1945 WeakPolarHBondContact O-CG1 3.21Å; E1449-P1947 WeakPolarHBondContact O-CD 3.35Å | ||
| 1450 | K | 34.9 | Very low | 26 | Very low | 35 Ų | 35 | 78.9 Ų | 78.9 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -99.8 | 150.1 | -132.6 | -105.1 | 158 | 173.9 | 135.4 | 0 | 121.5 | R1943 I1945 G2072 L2073 | K1450-R1943 PolarHBondContact NZ-O 3.18Å; K1450-I1945 HydrophobicContact CB-CG1 4.38Å; K1450-I1945 HydrophobicContact CD-CD1 3.59Å; K1450-I1945 HydrophobicContact CD-CG1 4.25Å; K1450-I1945 HydrophobicContact CG-CB 3.9Å; K1450-I1945 HydrophobicContact CG-CD1 3.49Å; K1450-I1945 VanDerWaalsContact CG-CD1 3.49Å; K1450-I1945 HydrophobicContact CG-CG1 3.58Å; K1450-I1945 HydrophobicContact CG-CG2 3.65Å; K1450-G2072 WeakPolarHBondContact CD-O 3.36Å; K1450-G2072 VanDerWaalsContact CE-C 3.45Å; K1450-G2072 WeakPolarHBondContact CE-O 3.47Å; K1450-G2072 PolarHBondContact NZ-O 2.94Å; K1450-L2073 HydrophobicContact CD-CB 4.46Å; K1450-L2073 HydrophobicContact CD-CD2 4.04Å; K1450-L2073 HydrophobicContact CD-CG 4.02Å |
| 1451 | L | 22.4 | Very low | 25.8 | Very low | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | cis | -156.8 | 166.9 | 1.3 | -166.6 | 124.8 | 0 | 0 | 0 | 113 | K1453 E1884 R1886 I1945 A2071 | L1451-K1453 WeakPolarHBondContact O-CG 3.29Å; L1451-K1453 PolarHBondContact O-N 2.73Å; L1451-E1884 VanDerWaalsContact C-OE2 3.3Å; L1451-E1884 WeakPolarHBondContact CA-OE1 3.44Å; L1451-E1884 WeakPolarHBondContact CA-OE2 3.1Å; L1451-E1884 PolarHBondContact N-OE1 3.19Å; L1451-E1884 VanDerWaalsContact N-OE1 3.15Å; L1451-E1884 PolarHBondContact N-OE2 2.74Å; L1451-R1886 VanDerWaalsContact CD2-NH2 3.27Å; L1451-I1945 HydrophobicContact CB-CG2 4.13Å; L1451-I1945 HydrophobicContact CD1-CG2 4.02Å; L1451-I1945 HydrophobicContact CG-CG2 3.8Å; L1451-A2071 HydrophobicContact CD1-CB 3.32Å; L1451-A2071 HydrophobicContact CD2-CB 3.51Å; L1451-A2071 HydrophobicContact CG-CB 3.92Å | ||
| 1452 | E | 24.8 | Very low | 25.7 | Very low | 20 Ų | 20 | 77 Ų | 77 | 9% | 0.093 | 40% | 0.404 | C | S | . | . | trans | -36.7 | 102.9 | 160.1 | -146.5 | 176.3 | -100.7 | 0 | 0 | 115.1 | I1454 E1884 R1886 E2059 L2061 | E1452-I1454 HydrophobicContact CG-CG1 4.46Å; E1452-I1454 WeakPolarHBondContact O-CD1 3.43Å; E1452-E1884 PolarHBondContact N-OE1 3.46Å; E1452-R1886 HydrophobicContact CB-CG 3.41Å; E1452-R1886 VanDerWaalsContact CB-CG 3.41Å; E1452-R1886 VanDerWaalsContact CB-NH2 3.28Å; E1452-R1886 VanDerWaalsContact CD-NH2 3.31Å; E1452-R1886 HydrophobicContact CG-CG 3.74Å; E1452-R1886 WeakPolarHBondContact OE1-CG 3.24Å; E1452-R1886 IonicContact OE1-CZ 3.88Å; E1452-R1886 IonicContact OE1-NE 2.68Å; E1452-R1886 IonicContact OE1-NH1 2.92Å; E1452-R1886 PolarHBondContact OE1-NH1 3.4Å; E1452-R1886 IonicContact OE1-NH2 3.53Å; E1452-R1886 IonicContact OE2-CZ 3.23Å; E1452-R1886 IonicContact OE2-NE 2.68Å; E1452-R1886 IonicContact OE2-NH1 2.7Å; E1452-R1886 PolarHBondContact OE2-NH1 3.05Å; E1452-R1886 IonicContact OE2-NH2 3.63Å; E1452-R1886 PolarHBondContact OE2-NH2 2.98Å; E1452-E2059 HydrophobicContact CG-CB 4.09Å; E1452-E2059 VanDerWaalsContact CG-CD 3.42Å; E1452-E2059 HydrophobicContact CG-CG 3.85Å; E1452-E2059 WeakPolarHBondContact CG-OE1 3.17Å; E1452-E2059 WeakPolarHBondContact OE1-CB 3.22Å; E1452-E2059 VanDerWaalsContact OE1-OE2 3.12Å; E1452-L2061 HydrophobicContact CB-CD1 4.45Å; E1452-L2061 HydrophobicContact CG-CD1 4.16Å; E1452-L2061 HydrophobicContact CG-CD2 4.15Å | ||
| 1453 | K | 28.8 | Very low | 25.4 | Very low | 27 Ų | 27 | 79.5 Ų | 79.5 | 12% | 0.117 | 40% | 0.403 | C | S | . | . | trans | -145.7 | 133.5 | 171.2 | -3.6 | -169.4 | -19.5 | -153.6 | 0 | 109.1 | L1451 L2061 E2065 A2066 E2067 S2068 N2069 | L1451-K1453 WeakPolarHBondContact O-CG 3.29Å; L1451-K1453 PolarHBondContact O-N 2.73Å; K1453-L2061 VanDerWaalsContact C-CD2 3.48Å; K1453-L2061 WeakPolarHBondContact O-CD2 3.36Å; K1453-E2065 VanDerWaalsContact C-C 3.5Å; K1453-E2065 CarbonylContact C-O 3.13Å; K1453-E2065 WeakPolarHBondContact CB-O 3.44Å; K1453-E2065 CarbonylContact O-C 3.55Å; K1453-E2065 WeakPolarHBondContact O-CB 3.49Å; K1453-A2066 WeakPolarHBondContact CD-O 3.21Å; K1453-A2066 VanDerWaalsContact CE-C 3.45Å; K1453-A2066 WeakPolarHBondContact CE-O 3.48Å; K1453-A2066 HydrophobicContact CG-CB 4.43Å; K1453-A2066 WeakPolarHBondContact CG-O 3.47Å; K1453-A2066 PolarHBondContact NZ-O 2.86Å; K1453-A2066 WeakPolarHBondContact O-CA 3.39Å; K1453-A2066 PolarHBondContact O-N 3.07Å; K1453-A2066 VanDerWaalsContact O-N 3.11Å; K1453-E2067 VanDerWaalsContact CE-O 3.24Å; K1453-E2067 WeakPolarHBondContact CE-O 3.46Å; K1453-E2067 VanDerWaalsContact NZ-CA 3.32Å; K1453-E2067 PolarHBondContact NZ-O 2.99Å; K1453-S2068 VanDerWaalsContact CE-C 3.47Å; K1453-S2068 VanDerWaalsContact CE-N 3.25Å; K1453-N2069 HydrophobicContact CB-CB 3.88Å; K1453-N2069 VanDerWaalsContact CB-N 3.26Å; K1453-N2069 WeakPolarHBondContact CB-O 3.46Å; K1453-N2069 VanDerWaalsContact CD-C 3.47Å; K1453-N2069 VanDerWaalsContact CD-O 3.26Å; K1453-N2069 WeakPolarHBondContact CD-O 3.39Å; K1453-N2069 VanDerWaalsContact CG-O 3.26Å; K1453-N2069 WeakPolarHBondContact CG-O 3.35Å | ||
| 1454 | I | 23.7 | Very low | 25.3 | Very low | 45 Ų | 45 | 79.4 Ų | 79.4 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | -157.6 | 172.3 | -61.2 | -107.1 | 162.6 | 0 | 0 | 0 | 107.3 | E1452 S2068 N2069 | E1452-I1454 HydrophobicContact CG-CG1 4.46Å; E1452-I1454 WeakPolarHBondContact O-CD1 3.43Å; I1454-S2068 PolarHBondContact N-OG 2.89Å; I1454-N2069 HydrophobicContact CB-CB 4.02Å; I1454-N2069 HydrophobicContact CD1-CB 3.88Å; I1454-N2069 HydrophobicContact CG1-CB 4.49Å; I1454-N2069 HydrophobicContact CG2-CB 4.27Å; I1454-N2069 VanDerWaalsContact CG2-ND2 3.34Å; I1454-N2069 WeakPolarHBondContact CG2-ND2 3.39Å | |||
| 1455 | D | 26 | Very low | 25.1 | Very low | 119 Ų | 119 | 81.1 Ų | 81.1 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | trans | 74.3 | 150.5 | 165 | -85.1 | -5.1 | 0 | 0 | 0 | 119.9 | ||||
| 1456 | V | 24.9 | Very low | 25.1 | Very low | 95 Ų | 95 | 87.9 Ų | 87.9 | 58% | 0.576 | 44% | 0.441 | S | S | * | . | cis | -164.4 | 133.1 | -37.2 | 107.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1457 | K | 21.5 | Very low | 24.7 | Very low | 193 Ų | 193 | 93.9 Ų | 93.9 | 84% | 0.839 | 47% | 0.474 | S | S | * | . | trans | 58.5 | 174.8 | 158.1 | -64.2 | 167.3 | -172.6 | 165.9 | 0 | 115.9 | ||||
| 1458 | S | 24.1 | Very low | 24.5 | Very low | 95 Ų | 95 | 99 Ų | 99 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | cis | -154 | 140.8 | 15.4 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1459 | E | 23.7 | Very low | 24.3 | Very low | 157 Ų | 157 | 104.5 Ų | 104.5 | 73% | 0.734 | 54% | 0.539 | S | S | * | . | trans | 63.6 | 169 | 146.5 | -64.8 | -163.8 | 168.3 | 0 | 0 | 116.6 | ||||
| 1460 | K | 22.3 | Very low | 23.8 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | cis | -166.6 | 159.9 | -21.5 | -106.4 | -177.1 | -171.3 | 139.1 | 0 | 108.3 | ||||
| 1461 | D | 21.6 | Very low | 23.3 | Very low | 130 Ų | 130 | 109.3 Ų | 109.3 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | cis | -158.1 | 171.5 | -20.6 | -140.3 | -26.2 | 0 | 0 | 0 | 110.7 | ||||
| 1462 | S | 22.1 | Very low | 23.4 | Very low | 71 Ų | 71 | 116.5 Ų | 116.5 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | trans | 45.7 | 150.5 | 144.2 | 88.2 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 1463 | E | 21.5 | Very low | 23.2 | Very low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | 61.1 | 150.4 | 143.2 | -66.8 | 137 | -166.3 | 0 | 0 | 120.9 | ||||
| 1464 | E | 22.1 | Very low | 23.1 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | cis | -154.4 | 134.4 | -10.8 | -109.6 | 162.5 | -164.4 | 0 | 0 | 106.2 | ||||
| 1465 | E | 21.7 | Very low | 23.3 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 88.2 | 149.5 | 68.7 | -135.8 | -165.6 | -154.3 | 0 | 0 | 115.5 | |||||
| 1466 | I | 22.6 | Very low | 23.4 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 71.2 | 146.2 | 159.2 | -73.8 | 162.6 | 0 | 0 | 0 | 119.9 | ||||
| 1467 | D | 23.2 | Very low | 23.6 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | cis | -172.4 | 165.6 | -31.4 | -169 | 12.5 | 0 | 0 | 0 | 109.7 | ||||
| 1468 | T | 22.8 | Very low | 24 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 67.3 | 164.2 | 159.1 | 76.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1469 | T | 23.2 | Very low | 24.4 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | cis | -155 | 152.9 | -28.3 | 28.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1470 | T | 22.2 | Very low | 24.8 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | 17.4 | 136.2 | 152.5 | 61.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1471 | G | 24.3 | Very low | 25.3 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | trans | -162.4 | 154.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1472 | T | 24.2 | Very low | 25.9 | Very low | 152 Ų | 152 | 145 Ų | 145 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | trans | -117.2 | 160 | -157.5 | -17 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1473 | R | 21.8 | Very low | 26.3 | Very low | 241 Ų | 241 | 147.4 Ų | 147.4 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 141 | -174.3 | -67.3 | 176 | 172.8 | 163.7 | -2 | 115.7 | ||
| 1474 | P | 25.3 | Very low | 26.8 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -97 | 164.3 | 166.2 | 36.6 | -33.1 | 0 | 0 | 0 | 114.5 | ||
| 1475 | N | 27.9 | Very low | 27.1 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 92% | 0.92 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 143.2 | -165.9 | -110.2 | -47.8 | 0 | 0 | 0 | 115.9 | ||
| 1476 | Y | 28.4 | Very low | 27.3 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -120.9 | 80.9 | -172.4 | -169 | -93.8 | 0 | 0 | 0 | 113.5 | ||||
| 1477 | L | 28.3 | Very low | 27.7 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -124.7 | -21.7 | -180 | -153.2 | 66.5 | 0 | 0 | 0 | 115.6 | Y1479 | L1477-Y1479 VanDerWaalsContact C-N 3.33Å; L1477-Y1479 PolarHBondContact O-N 2.95Å | ||
| 1478 | N | 30.3 | Very low | 28 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -10.8 | -165.9 | -144.5 | -13.7 | 0 | 0 | 0 | 115.2 | K1480 | N1478-K1480 PolarHBondContact O-N 2.79Š|
| 1479 | Y | 32.6 | Very low | 28.4 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 51% | 0.514 | 75% | 0.752 | S | S | . | * | H | α-helix | trans | -72.5 | -26.2 | -178.9 | -178.5 | -100.8 | 0 | 0 | 0 | 114.1 | L1477 L1481 K1483 | L1477-Y1479 VanDerWaalsContact C-N 3.33Å; L1477-Y1479 PolarHBondContact O-N 2.95Å; Y1479-L1481 VanDerWaalsContact C-N 3.27Å; Y1479-L1481 PolarHBondContact O-N 3.25Å; Y1479-K1483 HydrophobicContact CE1-CD 3.89Å; Y1479-K1483 PolarHBondContact OH-NZ 3.36Å |
| 1480 | K | 33.5 | Very low | 28.8 | Very low | 168 Ų | 168 | 154 Ų | 154 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -64.5 | -25.9 | -174.4 | -85.2 | -179.1 | 176.3 | 172.9 | 0 | 114.1 | N1478 | N1478-K1480 PolarHBondContact O-N 2.79Å |
| 1481 | L | 32.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 158.5 Ų | 158.5 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -79.4 | -49.4 | -176.8 | -78.6 | 161.3 | 0 | 0 | 0 | 113.1 | Y1479 K1483 K1484 | Y1479-L1481 VanDerWaalsContact C-N 3.27Å; Y1479-L1481 PolarHBondContact O-N 3.25Å; L1481-K1483 PolarHBondContact O-N 3.39Å; L1481-K1484 PolarHBondContact O-N 3.44Å |
| 1482 | K | 33.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 159 Ų | 159 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -57.9 | -27.8 | -177.4 | -76 | -171 | 174.5 | -178.5 | 0 | 113.5 | K1484 | K1482-K1484 VanDerWaalsContact C-N 3.34Å; K1482-K1484 PolarHBondContact O-N 2.91Å |
| 1483 | K | 29.9 | Very low | 29.5 | Very low | 121 Ų | 121 | 159.9 Ų | 159.9 | 53% | 0.526 | 75% | 0.746 | S | S | . | * | H | α-helix | trans | -71.9 | -20.2 | -177.4 | -153.1 | 160.4 | -167.5 | 156.5 | 0 | 114.6 | Y1479 L1481 | Y1479-K1483 HydrophobicContact CE1-CD 3.89Å; Y1479-K1483 PolarHBondContact OH-NZ 3.36Å; L1481-K1483 PolarHBondContact O-N 3.39Å |
| 1484 | K | 31.3 | Very low | 30 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -81.3 | -32 | 177.8 | -78.2 | -172 | 173.9 | -177.6 | 0 | 113.7 | L1481 K1482 | L1481-K1484 PolarHBondContact O-N 3.44Å; K1482-K1484 VanDerWaalsContact C-N 3.34Å; K1482-K1484 PolarHBondContact O-N 2.91Å |
| 1485 | C | 29.1 | Very low | 30.3 | Very low | 99 Ų | 99 | 162.1 Ų | 162.1 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -66.1 | -44.8 | 177.1 | -77.2 | 0 | 0 | 0 | 0 | 112.5 | Q1487 R1488 | C1485-Q1487 PolarHBondContact O-N 3.43Å; C1485-Q1487 VanDerWaalsContact O-N 3.07Å; C1485-R1488 PolarHBondContact O-N 2.85Å; C1485-R1488 VanDerWaalsContact O-N 3.16Å |
| 1486 | W | 25.4 | Very low | 30.6 | Very low | 189 Ų | 189 | 164 Ų | 164 | 72% | 0.716 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -66.3 | -14 | -173.7 | -151.5 | 81.3 | 0 | 0 | 0 | 114.3 | ||
| 1487 | Q | 31.1 | Very low | 31.2 | Very low | 155 Ų | 155 | 158 Ų | 158 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -84.5 | -13.9 | 177.6 | -70.2 | -173.6 | -31.7 | 0 | 0 | 114.2 | C1485 | C1485-Q1487 PolarHBondContact O-N 3.43Å; C1485-Q1487 VanDerWaalsContact O-N 3.07Å |
| 1488 | R | 30.4 | Very low | 32.3 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -85.4 | -35.8 | -179.9 | -79.5 | -174.5 | 168 | 179.3 | -4.6 | 113.8 | C1485 | C1485-R1488 PolarHBondContact O-N 2.85Å; C1485-R1488 VanDerWaalsContact O-N 3.16Å |
| 1489 | T | 31.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -76.2 | -29.9 | -168.6 | 44.2 | 0 | 0 | 0 | 0 | 114.9 | R1491 | T1489-R1491 VanDerWaalsContact C-N 3.28Å; T1489-R1491 PolarHBondContact O-N 3.03Å |
| 1490 | K | 31.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 17.2 | -175.1 | -109.1 | -172.7 | -179.9 | -173.7 | 0 | 116.4 | ||
| 1491 | R | 29.6 | Very low | 35.5 | Very low | 235 Ų | 235 | 147.6 Ų | 147.6 | 89% | 0.887 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -5.1 | -179.5 | -149.2 | 175.4 | -173.4 | 179.5 | 1.4 | 114.5 | T1489 | T1489-R1491 VanDerWaalsContact C-N 3.28Å; T1489-R1491 PolarHBondContact O-N 3.03Å |
| 1492 | A | 26.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -92.7 | -30.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1493 | E | 28.8 | Very low | 38.2 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | -100.4 | 100.5 | -171.4 | -65.5 | -163.4 | 125.7 | 0 | 0 | 113.7 | ||||
| 1494 | R | 31.2 | Very low | 40 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -113.5 | 77 | 168.8 | -79.8 | -179.6 | 161.2 | -171.4 | -4.9 | 110.8 | ||||
| 1495 | K | 31.2 | Very low | 41.9 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | -68.3 | 143.3 | 169.1 | -67.2 | -172.4 | 177.9 | 178.9 | 0 | 110.3 | L1497 | K1495-L1497 PolarHBondContact O-N 3.12Š| ||
| 1496 | K | 35.1 | Very low | 43.9 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 92% | 0.922 | 66% | 0.664 | S | S | * | * | trans | -82.6 | 109.7 | -175 | -66.3 | 175.9 | 179.9 | 175.7 | 0 | 110.1 | ||||
| 1497 | L | 41.1 | Very low | 45.8 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 37% | 0.372 | 65% | 0.651 | S | S | . | * | trans | -84.8 | 147.5 | 171.7 | -61.8 | 99.1 | 0 | 0 | 0 | 111.7 | K1495 E1501 K1502 | K1495-L1497 PolarHBondContact O-N 3.12Å; L1497-E1501 HydrophobicContact CB-CB 3.9Å; L1497-E1501 HydrophobicContact CD2-CB 3.86Å; L1497-E1501 HydrophobicContact CD2-CG 4.48Å; L1497-E1501 HydrophobicContact CG-CB 4.48Å; L1497-K1502 HydrophobicContact CB-CG 4.48Å; L1497-K1502 VanDerWaalsContact O-CE 3.24Å; L1497-K1502 WeakPolarHBondContact O-CE 3.49Å | ||
| 1498 | T | 50.6 | Low | 47.7 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | trans | -67.3 | 172.1 | 175.7 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | E1501 K1502 | T1498-E1501 VanDerWaalsContact CB-OE2 3.3Å; T1498-E1501 WeakPolarHBondContact CB-OE2 3.22Å; T1498-E1501 WeakPolarHBondContact CG2-OE2 3.19Å; T1498-E1501 PolarHBondContact N-OE2 3.41Å; T1498-E1501 WeakPolarHBondContact OG1-CG 3.44Å; T1498-E1501 PolarHBondContact OG1-N 3.48Å; T1498-E1501 PolarHBondContact OG1-OE2 2.91Å; T1498-K1502 WeakPolarHBondContact O-CB 3.19Å; T1498-K1502 VanDerWaalsContact O-CG 3.22Å; T1498-K1502 WeakPolarHBondContact O-CG 3.4Å; T1498-K1502 PolarHBondContact O-N 3.44Å | ||
| 1499 | A | 51 | Low | 50 | Low | 82 Ų | 82 | 130.6 Ų | 130.6 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1502 R1503 | A1499-K1502 PolarHBondContact O-N 3.46Å; A1499-R1503 PolarHBondContact O-N 3.04Å |
| 1500 | L | 53 | Low | 51.8 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 63% | 0.628 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.8 | -49.7 | 177.9 | -170.6 | 73 | 0 | 0 | 0 | 111 | K1502 R1503 Q1504 | L1500-K1502 VanDerWaalsContact C-N 3.33Å; L1500-K1502 PolarHBondContact O-N 3.48Å; L1500-R1503 WeakPolarHBondContact O-CB 3.26Å; L1500-R1503 PolarHBondContact O-N 2.74Å; L1500-R1503 VanDerWaalsContact O-N 3.12Å; L1500-Q1504 PolarHBondContact O-N 3.41Å |
| 1501 | E | 60 | Low | 53.1 | Low | 77 Ų | 77 | 134.2 Ų | 134.2 | 36% | 0.36 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.8 | -39.5 | 175.6 | -69.4 | 170.2 | 104.5 | 0 | 0 | 112.1 | L1497 T1498 R1503 Q1504 L1505 | L1497-E1501 HydrophobicContact CB-CB 3.9Å; L1497-E1501 HydrophobicContact CD2-CB 3.86Å; L1497-E1501 HydrophobicContact CD2-CG 4.48Å; L1497-E1501 HydrophobicContact CG-CB 4.48Å; T1498-E1501 VanDerWaalsContact CB-OE2 3.3Å; T1498-E1501 WeakPolarHBondContact CB-OE2 3.22Å; T1498-E1501 WeakPolarHBondContact CG2-OE2 3.19Å; T1498-E1501 PolarHBondContact N-OE2 3.41Å; T1498-E1501 WeakPolarHBondContact OG1-CG 3.44Å; T1498-E1501 PolarHBondContact OG1-N 3.48Å; T1498-E1501 PolarHBondContact OG1-OE2 2.91Å; E1501-R1503 VanDerWaalsContact C-N 3.34Å; E1501-R1503 PolarHBondContact O-N 2.87Å; E1501-Q1504 PolarHBondContact O-N 2.83Å; E1501-L1505 WeakPolarHBondContact O-CB 3.43Å; E1501-L1505 PolarHBondContact O-N 2.97Å |
| 1502 | K | 59.4 | Low | 54.6 | Low | 129 Ų | 129 | 125.5 Ų | 125.5 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.9 | -44.6 | 172.9 | -79.5 | 168.6 | 179.9 | 168.8 | 0 | 111.5 | L1497 T1498 A1499 L1500 L1505 E1506 | L1497-K1502 HydrophobicContact CB-CG 4.48Å; L1497-K1502 VanDerWaalsContact O-CE 3.24Å; L1497-K1502 WeakPolarHBondContact O-CE 3.49Å; T1498-K1502 WeakPolarHBondContact O-CB 3.19Å; T1498-K1502 VanDerWaalsContact O-CG 3.22Å; T1498-K1502 WeakPolarHBondContact O-CG 3.4Å; T1498-K1502 PolarHBondContact O-N 3.44Å; A1499-K1502 PolarHBondContact O-N 3.46Å; L1500-K1502 VanDerWaalsContact C-N 3.33Å; L1500-K1502 PolarHBondContact O-N 3.48Å; K1502-L1505 PolarHBondContact O-N 2.89Å; K1502-E1506 WeakPolarHBondContact O-CB 3.36Å; K1502-E1506 PolarHBondContact O-N 3.38Å |
| 1503 | R | 64.1 | Low | 56.1 | Low | 183 Ų | 183 | 129.9 Ų | 129.9 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.2 | -43.1 | 179.1 | -165.5 | 174 | -177 | 176.8 | 0.2 | 111.4 | A1499 L1500 E1501 E1506 I1507 | A1499-R1503 PolarHBondContact O-N 3.04Å; L1500-R1503 WeakPolarHBondContact O-CB 3.26Å; L1500-R1503 PolarHBondContact O-N 2.74Å; L1500-R1503 VanDerWaalsContact O-N 3.12Å; E1501-R1503 VanDerWaalsContact C-N 3.34Å; E1501-R1503 PolarHBondContact O-N 2.87Å; R1503-E1506 PolarHBondContact O-N 3.28Å; R1503-I1507 HydrophobicContact CG-CD1 4.43Å; R1503-I1507 VanDerWaalsContact O-CG1 3.29Å; R1503-I1507 WeakPolarHBondContact O-CG1 3.26Å; R1503-I1507 PolarHBondContact O-N 2.99Å |
| 1504 | Q | 68.4 | Low | 57.2 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 55% | 0.547 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -45.1 | 173.5 | -70.5 | 179.3 | -7.7 | 0 | 0 | 112.2 | L1500 E1501 E1506 I1507 A1508 | L1500-Q1504 PolarHBondContact O-N 3.41Å; E1501-Q1504 PolarHBondContact O-N 2.83Å; Q1504-E1506 VanDerWaalsContact C-N 3.28Å; Q1504-E1506 PolarHBondContact O-N 3Å; Q1504-I1507 PolarHBondContact O-N 2.68Å; Q1504-A1508 WeakPolarHBondContact O-CB 2.99Å; Q1504-A1508 PolarHBondContact O-N 2.91Å |
| 1505 | L | 69.6 | Low | 58.5 | Low | 64 Ų | 64 | 120.7 Ų | 120.7 | 34% | 0.335 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63 | -34.6 | 176.2 | -174.5 | 69.3 | 0 | 0 | 0 | 111.7 | E1501 K1502 R1509 | E1501-L1505 WeakPolarHBondContact O-CB 3.43Å; E1501-L1505 PolarHBondContact O-N 2.97Å; K1502-L1505 PolarHBondContact O-N 2.89Å; L1505-R1509 WeakPolarHBondContact O-CB 3.44Å; L1505-R1509 WeakPolarHBondContact O-CD 3.45Å; L1505-R1509 WeakPolarHBondContact O-CG 3.18Å; L1505-R1509 PolarHBondContact O-N 2.92Å |
| 1506 | E | 71.1 | Confident | 59.6 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.4 | -43.4 | 173.5 | -179.3 | 157.9 | -136.7 | 0 | 0 | 112.4 | K1502 R1503 Q1504 A1508 R1509 R1510 | K1502-E1506 WeakPolarHBondContact O-CB 3.36Å; K1502-E1506 PolarHBondContact O-N 3.38Å; R1503-E1506 PolarHBondContact O-N 3.28Å; Q1504-E1506 VanDerWaalsContact C-N 3.28Å; Q1504-E1506 PolarHBondContact O-N 3Å; E1506-A1508 VanDerWaalsContact C-N 3.33Å; E1506-A1508 PolarHBondContact O-N 3.32Å; E1506-R1509 CarbonylContact O-C 3.57Å; E1506-R1509 WeakPolarHBondContact O-CB 3.03Å; E1506-R1509 PolarHBondContact O-N 2.79Å; E1506-R1510 PolarHBondContact O-N 3.13Å |
| 1507 | I | 66.7 | Low | 60.7 | Low | 86 Ų | 86 | 119.6 Ų | 119.6 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59 | -45.5 | 172.7 | -69.3 | 162.9 | 0 | 0 | 0 | 110.3 | R1503 Q1504 R1509 R1510 R1511 | R1503-I1507 HydrophobicContact CG-CD1 4.43Å; R1503-I1507 VanDerWaalsContact O-CG1 3.29Å; R1503-I1507 WeakPolarHBondContact O-CG1 3.26Å; R1503-I1507 PolarHBondContact O-N 2.99Å; Q1504-I1507 PolarHBondContact O-N 2.68Å; I1507-R1509 PolarHBondContact O-N 3.07Å; I1507-R1510 WeakPolarHBondContact O-CB 3.38Å; I1507-R1510 PolarHBondContact O-N 3.49Å; I1507-R1510 VanDerWaalsContact O-N 3.15Å; I1507-R1511 PolarHBondContact O-N 3.04Å |
| 1508 | A | 71.4 | Confident | 61.3 | Low | 51 Ų | 51 | 123.2 Ų | 123.2 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.1 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q1504 E1506 R1510 R1511 A1512 | Q1504-A1508 WeakPolarHBondContact O-CB 2.99Å; Q1504-A1508 PolarHBondContact O-N 2.91Å; E1506-A1508 VanDerWaalsContact C-N 3.33Å; E1506-A1508 PolarHBondContact O-N 3.32Å; A1508-R1510 VanDerWaalsContact C-N 3.34Å; A1508-R1510 PolarHBondContact O-N 3.04Å; A1508-R1511 PolarHBondContact O-N 2.92Å; A1508-A1512 VanDerWaalsContact O-CB 3.28Å; A1508-A1512 WeakPolarHBondContact O-CB 3.16Å; A1508-A1512 PolarHBondContact O-N 2.93Å |
| 1509 | R | 77.6 | Confident | 61.3 | Low | 155 Ų | 155 | 126 Ų | 126 | 59% | 0.585 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -34.6 | 173.2 | -75.6 | 165 | 177.5 | -172.6 | 0.9 | 112.6 | L1505 E1506 I1507 R1513 | L1505-R1509 WeakPolarHBondContact O-CB 3.44Å; L1505-R1509 WeakPolarHBondContact O-CD 3.45Å; L1505-R1509 WeakPolarHBondContact O-CG 3.18Å; L1505-R1509 PolarHBondContact O-N 2.92Å; E1506-R1509 CarbonylContact O-C 3.57Å; E1506-R1509 WeakPolarHBondContact O-CB 3.03Å; E1506-R1509 PolarHBondContact O-N 2.79Å; I1507-R1509 PolarHBondContact O-N 3.07Å; R1509-R1513 WeakPolarHBondContact O-CB 3.49Å; R1509-R1513 VanDerWaalsContact O-CG 3.24Å; R1509-R1513 WeakPolarHBondContact O-CG 3.42Å; R1509-R1513 PolarHBondContact O-N 2.72Å |
| 1510 | R | 68.6 | Low | 61.4 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.1 | -49.9 | 174.3 | -121.9 | 171.9 | 174 | 157.2 | -4.4 | 110.5 | E1506 I1507 A1508 A1512 R1513 I1514 | E1506-R1510 PolarHBondContact O-N 3.13Å; I1507-R1510 WeakPolarHBondContact O-CB 3.38Å; I1507-R1510 PolarHBondContact O-N 3.49Å; I1507-R1510 VanDerWaalsContact O-N 3.15Å; A1508-R1510 VanDerWaalsContact C-N 3.34Å; A1508-R1510 PolarHBondContact O-N 3.04Å; R1510-A1512 PolarHBondContact O-N 3.06Å; R1510-R1513 PolarHBondContact O-N 2.93Å; R1510-I1514 WeakPolarHBondContact O-CG1 3.43Å; R1510-I1514 PolarHBondContact O-N 2.88Å |
| 1511 | R | 60.6 | Low | 61.1 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56 | -49.4 | 173.5 | -72 | -177.4 | 175.2 | -173.4 | -2 | 111.4 | I1507 A1508 R1513 I1514 E1515 | I1507-R1511 PolarHBondContact O-N 3.04Å; A1508-R1511 PolarHBondContact O-N 2.92Å; R1511-R1513 VanDerWaalsContact C-N 3.34Å; R1511-R1513 PolarHBondContact O-N 3.06Å; R1511-I1514 PolarHBondContact O-N 3.28Å; R1511-I1514 VanDerWaalsContact O-N 3.14Å; R1511-E1515 WeakPolarHBondContact O-CB 3.49Å; R1511-E1515 PolarHBondContact O-N 3.13Å |
| 1512 | A | 59.9 | Low | 60.7 | Low | 53 Ų | 53 | 130.3 Ų | 130.3 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.5 | -30.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1508 R1510 K1516 | A1508-A1512 VanDerWaalsContact O-CB 3.28Å; A1508-A1512 WeakPolarHBondContact O-CB 3.16Å; A1508-A1512 PolarHBondContact O-N 2.93Å; R1510-A1512 PolarHBondContact O-N 3.06Å; A1512-K1516 WeakPolarHBondContact O-CB 3.33Å; A1512-K1516 PolarHBondContact O-N 2.91Å |
| 1513 | R | 58.6 | Low | 60.2 | Low | 181 Ų | 181 | 129.1 Ų | 129.1 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.1 | -39.5 | 171.6 | -82 | 170.4 | 169.5 | 168.4 | -5.3 | 111.9 | R1509 R1510 R1511 K1516 R1517 | R1509-R1513 WeakPolarHBondContact O-CB 3.49Å; R1509-R1513 VanDerWaalsContact O-CG 3.24Å; R1509-R1513 WeakPolarHBondContact O-CG 3.42Å; R1509-R1513 PolarHBondContact O-N 2.72Å; R1510-R1513 PolarHBondContact O-N 2.93Å; R1511-R1513 VanDerWaalsContact C-N 3.34Å; R1511-R1513 PolarHBondContact O-N 3.06Å; R1513-K1516 PolarHBondContact O-N 3.18Å; R1513-R1517 PolarHBondContact O-N 3.16Å |
| 1514 | I | 51.3 | Low | 59.6 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -46.9 | 176.3 | -66.6 | 162.8 | 0 | 0 | 0 | 110.2 | R1510 R1511 K1516 R1517 K1518 | R1510-I1514 WeakPolarHBondContact O-CG1 3.43Å; R1510-I1514 PolarHBondContact O-N 2.88Å; R1511-I1514 PolarHBondContact O-N 3.28Å; R1511-I1514 VanDerWaalsContact O-N 3.14Å; I1514-K1516 PolarHBondContact O-N 3.21Å; I1514-R1517 PolarHBondContact O-N 3Å; I1514-R1517 VanDerWaalsContact O-N 3.16Å; I1514-K1518 PolarHBondContact O-N 3.03Å |
| 1515 | E | 58.8 | Low | 58.4 | Low | 118 Ų | 118 | 126.9 Ų | 126.9 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -49.7 | -54.7 | 168.9 | -100.5 | -92.4 | 103.1 | 0 | 0 | 111.8 | R1511 R1517 K1518 K1519 | R1511-E1515 WeakPolarHBondContact O-CB 3.49Å; R1511-E1515 PolarHBondContact O-N 3.13Å; E1515-R1517 VanDerWaalsContact C-N 3.33Å; E1515-R1517 PolarHBondContact O-N 3.12Å; E1515-K1518 PolarHBondContact O-N 2.89Å; E1515-K1519 WeakPolarHBondContact O-CB 3.48Å; E1515-K1519 PolarHBondContact O-N 3.28Å |
| 1516 | K | 55.2 | Low | 57.2 | Low | 157 Ų | 157 | 126.5 Ų | 126.5 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.2 | -36.9 | 177.2 | -90.1 | -173.4 | 171.8 | -179.4 | 0 | 113.2 | A1512 R1513 I1514 N1520 | A1512-K1516 WeakPolarHBondContact O-CB 3.33Å; A1512-K1516 PolarHBondContact O-N 2.91Å; R1513-K1516 PolarHBondContact O-N 3.18Å; I1514-K1516 PolarHBondContact O-N 3.21Å; K1516-N1520 VanDerWaalsContact O-CB 3.29Å; K1516-N1520 WeakPolarHBondContact O-CB 3.38Å; K1516-N1520 PolarHBondContact O-N 3.29Å |
| 1517 | R | 57.5 | Low | 55.9 | Low | 210 Ų | 210 | 128.3 Ų | 128.3 | 79% | 0.792 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -47.7 | 172.9 | -98.9 | -178.7 | 166.4 | 163.9 | -5.1 | 111.1 | R1513 I1514 E1515 K1519 N1520 N1521 | R1513-R1517 PolarHBondContact O-N 3.16Å; I1514-R1517 PolarHBondContact O-N 3Å; I1514-R1517 VanDerWaalsContact O-N 3.16Å; E1515-R1517 VanDerWaalsContact C-N 3.33Å; E1515-R1517 PolarHBondContact O-N 3.12Å; R1517-K1519 PolarHBondContact O-N 3.1Å; R1517-N1520 PolarHBondContact O-N 3.18Å; R1517-N1521 VanDerWaalsContact O-CB 3.26Å; R1517-N1521 WeakPolarHBondContact O-CB 3.33Å; R1517-N1521 PolarHBondContact O-N 2.77Å |
| 1518 | K | 53 | Low | 55.1 | Low | 147 Ų | 147 | 128.3 Ų | 128.3 | 64% | 0.639 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.6 | -45.9 | 175.2 | -74.1 | -171.6 | 175.2 | -172.7 | 0 | 111.7 | I1514 E1515 N1521 K1522 | I1514-K1518 PolarHBondContact O-N 3.03Å; E1515-K1518 PolarHBondContact O-N 2.89Å; K1518-N1521 PolarHBondContact O-N 3.5Å; K1518-K1522 PolarHBondContact O-N 2.88Å |
| 1519 | K | 52.3 | Low | 53.7 | Low | 138 Ų | 138 | 133.3 Ų | 133.3 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.9 | -39.3 | -177.6 | -143.8 | 160.8 | -168.6 | 162.7 | 0 | 112.9 | E1515 R1517 N1523 | E1515-K1519 WeakPolarHBondContact O-CB 3.48Å; E1515-K1519 PolarHBondContact O-N 3.28Å; R1517-K1519 PolarHBondContact O-N 3.1Å; K1519-N1523 PolarHBondContact O-N 2.86Å |
| 1520 | N | 51.5 | Low | 52.1 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.2 | -38.6 | 170.3 | -87.8 | 13.7 | 0 | 0 | 0 | 112.2 | K1516 R1517 N1523 L1524 | K1516-N1520 VanDerWaalsContact O-CB 3.29Å; K1516-N1520 WeakPolarHBondContact O-CB 3.38Å; K1516-N1520 PolarHBondContact O-N 3.29Å; R1517-N1520 PolarHBondContact O-N 3.18Å; N1520-N1523 CarbonylContact O-C 3.52Å; N1520-N1523 PolarHBondContact O-N 2.85Å; N1520-L1524 WeakPolarHBondContact O-CB 3.45Å; N1520-L1524 PolarHBondContact O-N 3.12Å |
| 1521 | N | 48.3 | Very low | 50.8 | Low | 94 Ų | 94 | 130.3 Ų | 130.3 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.6 | -36.7 | -179.7 | -153 | 10.1 | 0 | 0 | 0 | 111.5 | R1517 K1518 L1524 K1525 | R1517-N1521 VanDerWaalsContact O-CB 3.26Å; R1517-N1521 WeakPolarHBondContact O-CB 3.33Å; R1517-N1521 PolarHBondContact O-N 2.77Å; K1518-N1521 PolarHBondContact O-N 3.5Å; N1521-L1524 PolarHBondContact O-N 3.39Å; N1521-K1525 WeakPolarHBondContact O-CB 3.32Å; N1521-K1525 PolarHBondContact O-N 2.77Å |
| 1522 | K | 49.8 | Very low | 49.7 | Very low | 163 Ų | 163 | 128 Ų | 128 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.6 | -49.6 | 166.4 | -78.7 | -166.1 | 173.2 | -167.4 | 0 | 111.5 | K1518 L1524 K1525 A1526 | K1518-K1522 PolarHBondContact O-N 2.88Å; K1522-L1524 VanDerWaalsContact C-N 3.34Å; K1522-L1524 PolarHBondContact O-N 2.7Å; K1522-K1525 PolarHBondContact O-N 2.87Å; K1522-A1526 WeakPolarHBondContact O-CB 3.32Å; K1522-A1526 PolarHBondContact O-N 3.26Å |
| 1523 | N | 50.9 | Low | 48.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.3 | -29.5 | 179.1 | -78.3 | 0.2 | 0 | 0 | 0 | 113.9 | K1519 N1520 K1527 | K1519-N1523 PolarHBondContact O-N 2.86Å; N1520-N1523 CarbonylContact O-C 3.52Å; N1520-N1523 PolarHBondContact O-N 2.85Å; N1523-K1527 WeakPolarHBondContact O-CG 3.47Å; N1523-K1527 PolarHBondContact O-N 2.92Å |
| 1524 | L | 49.9 | Very low | 47.8 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.8 | -45.9 | 175.9 | -171.7 | 62.1 | 0 | 0 | 0 | 110.7 | N1520 N1521 K1522 A1526 K1527 I1528 | N1520-L1524 WeakPolarHBondContact O-CB 3.45Å; N1520-L1524 PolarHBondContact O-N 3.12Å; N1521-L1524 PolarHBondContact O-N 3.39Å; K1522-L1524 VanDerWaalsContact C-N 3.34Å; K1522-L1524 PolarHBondContact O-N 2.7Å; L1524-A1526 VanDerWaalsContact C-N 3.28Å; L1524-A1526 PolarHBondContact O-N 3.49Å; L1524-K1527 PolarHBondContact O-N 2.77Å; L1524-I1528 HydrophobicContact CD1-CD1 4.44Å; L1524-I1528 HydrophobicContact CG-CD1 4.05Å; L1524-I1528 VanDerWaalsContact O-CG1 3.31Å; L1524-I1528 WeakPolarHBondContact O-CG1 3.5Å; L1524-I1528 PolarHBondContact O-N 3.38Å |
| 1525 | K | 43.2 | Very low | 47.1 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 67% | 0.674 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.2 | -41.7 | 169.4 | -79 | -163.4 | 170.5 | -165.3 | 0 | 111.7 | N1521 K1522 I1528 K1529 | N1521-K1525 WeakPolarHBondContact O-CB 3.32Å; N1521-K1525 PolarHBondContact O-N 2.77Å; K1522-K1525 PolarHBondContact O-N 2.87Å; K1525-I1528 PolarHBondContact O-N 2.8Å; K1525-K1529 PolarHBondContact O-N 3.33Å |
| 1526 | A | 45.7 | Very low | 45.8 | Very low | 56 Ų | 56 | 128.2 Ų | 128.2 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1522 L1524 K1529 A1530 | K1522-A1526 WeakPolarHBondContact O-CB 3.32Å; K1522-A1526 PolarHBondContact O-N 3.26Å; L1524-A1526 VanDerWaalsContact C-N 3.28Å; L1524-A1526 PolarHBondContact O-N 3.49Å; A1526-K1529 PolarHBondContact O-N 2.93Å; A1526-A1530 WeakPolarHBondContact O-CB 3.21Å; A1526-A1530 PolarHBondContact O-N 3.19Å |
| 1527 | K | 42.1 | Very low | 45 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 67% | 0.674 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.6 | -30.9 | 175.9 | -79.7 | -171.4 | 172 | -168.8 | 0 | 113.9 | N1523 L1524 R1531 | N1523-K1527 WeakPolarHBondContact O-CG 3.47Å; N1523-K1527 PolarHBondContact O-N 2.92Å; L1524-K1527 PolarHBondContact O-N 2.77Å; K1527-R1531 PolarHBondContact O-N 3.34Å |
| 1528 | I | 50 | Low | 43.9 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.4 | -48.5 | 173.2 | -68.4 | 167.3 | 0 | 0 | 0 | 109.4 | L1524 K1525 A1530 R1531 F1532 | L1524-I1528 HydrophobicContact CD1-CD1 4.44Å; L1524-I1528 HydrophobicContact CG-CD1 4.05Å; L1524-I1528 VanDerWaalsContact O-CG1 3.31Å; L1524-I1528 WeakPolarHBondContact O-CG1 3.5Å; L1524-I1528 PolarHBondContact O-N 3.38Å; K1525-I1528 PolarHBondContact O-N 2.8Å; I1528-A1530 VanDerWaalsContact C-N 3.34Å; I1528-A1530 PolarHBondContact O-N 2.83Å; I1528-R1531 PolarHBondContact O-N 3.23Å; I1528-R1531 VanDerWaalsContact O-N 3.14Å; I1528-F1532 HydrophobicContact CG2-CD2 3.8Å; I1528-F1532 HydrophobicContact CG2-CE2 4.03Å; I1528-F1532 PolarHBondContact O-N 3.33Å |
| 1529 | K | 43 | Very low | 42.8 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 68% | 0.683 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -51.6 | -51.9 | 171.4 | -105.4 | -160.9 | 171.9 | -163.7 | 0 | 111.3 | K1525 A1526 R1531 F1532 I1533 | K1525-K1529 PolarHBondContact O-N 3.33Å; A1526-K1529 PolarHBondContact O-N 2.93Å; K1529-R1531 PolarHBondContact O-N 3.45Å; K1529-F1532 PolarHBondContact O-N 2.92Å; K1529-I1533 HydrophobicContact CB-CD1 4.45Å; K1529-I1533 WeakPolarHBondContact O-CB 3.29Å; K1529-I1533 WeakPolarHBondContact O-CD1 3.38Å; K1529-I1533 VanDerWaalsContact O-CG1 3.23Å; K1529-I1533 WeakPolarHBondContact O-CG1 3.46Å; K1529-I1533 PolarHBondContact O-N 2.89Å |
| 1530 | A | 43.5 | Very low | 41.8 | Very low | 60 Ų | 60 | 120.5 Ų | 120.5 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.5 | -28 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1526 I1528 | A1526-A1530 WeakPolarHBondContact O-CB 3.21Å; A1526-A1530 PolarHBondContact O-N 3.19Å; I1528-A1530 VanDerWaalsContact C-N 3.34Å; I1528-A1530 PolarHBondContact O-N 2.83Å |
| 1531 | R | 40.7 | Very low | 40.8 | Very low | 204 Ų | 204 | 120.6 Ų | 120.6 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -84.8 | -35 | 175 | -79.4 | -174.9 | 165.7 | -171.1 | -7.4 | 113.6 | K1527 I1528 K1529 S1535 | K1527-R1531 PolarHBondContact O-N 3.34Å; I1528-R1531 PolarHBondContact O-N 3.23Å; I1528-R1531 VanDerWaalsContact O-N 3.14Å; K1529-R1531 PolarHBondContact O-N 3.45Å; R1531-S1535 PolarHBondContact O-OG 3.22Å; R1531-S1535 VanDerWaalsContact O-OG 3.07Å |
| 1532 | F | 38.2 | Very low | 39.8 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 61% | 0.605 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.7 | -33.1 | 176 | -88.2 | -83.9 | 0 | 0 | 0 | 112.8 | I1528 K1529 N1534 S1535 K1536 | I1528-F1532 HydrophobicContact CG2-CD2 3.8Å; I1528-F1532 HydrophobicContact CG2-CE2 4.03Å; I1528-F1532 PolarHBondContact O-N 3.33Å; K1529-F1532 PolarHBondContact O-N 2.92Å; F1532-N1534 VanDerWaalsContact C-N 3.31Å; F1532-N1534 PolarHBondContact O-N 2.85Å; F1532-S1535 PolarHBondContact O-N 2.7Å; F1532-S1535 PolarHBondContact O-OG 3.22Å; F1532-K1536 PolarHBondContact O-N 3.07Å |
| 1533 | I | 41.7 | Very low | 38.7 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.7 | -48.1 | 170.9 | -71.5 | 163 | 0 | 0 | 0 | 109.9 | K1529 S1535 K1536 G1537 | K1529-I1533 HydrophobicContact CB-CD1 4.45Å; K1529-I1533 WeakPolarHBondContact O-CB 3.29Å; K1529-I1533 WeakPolarHBondContact O-CD1 3.38Å; K1529-I1533 VanDerWaalsContact O-CG1 3.23Å; K1529-I1533 WeakPolarHBondContact O-CG1 3.46Å; K1529-I1533 PolarHBondContact O-N 2.89Å; I1533-S1535 PolarHBondContact O-N 2.77Å; I1533-S1535 VanDerWaalsContact O-N 3.16Å; I1533-K1536 PolarHBondContact O-N 3.3Å; I1533-G1537 PolarHBondContact O-N 2.98Å |
| 1534 | N | 37.3 | Very low | 37.6 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.1 | 3 | -175.8 | -134.5 | 97 | 0 | 0 | 0 | 115.2 | F1532 | F1532-N1534 VanDerWaalsContact C-N 3.31Å; F1532-N1534 PolarHBondContact O-N 2.85Å |
| 1535 | S | 35.8 | Very low | 36.4 | Very low | 72 Ų | 72 | 120.7 Ų | 120.7 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -117.5 | -23.3 | 171.3 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | R1531 F1532 I1533 | R1531-S1535 PolarHBondContact O-OG 3.22Å; R1531-S1535 VanDerWaalsContact O-OG 3.07Å; F1532-S1535 PolarHBondContact O-N 2.7Å; F1532-S1535 PolarHBondContact O-OG 3.22Å; I1533-S1535 PolarHBondContact O-N 2.77Å; I1533-S1535 VanDerWaalsContact O-N 3.16Å |
| 1536 | K | 31.7 | Very low | 35.6 | Very low | 134 Ų | 134 | 121 Ų | 121 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.7 | -38.2 | 162.8 | -84.6 | -157.2 | 160.7 | -147.7 | 0 | 112.7 | F1532 I1533 L1538 F1539 Q1540 | F1532-K1536 PolarHBondContact O-N 3.07Å; I1533-K1536 PolarHBondContact O-N 3.3Å; K1536-L1538 PolarHBondContact O-N 3.04Å; K1536-F1539 PolarHBondContact O-N 2.88Å; K1536-Q1540 PolarHBondContact O-N 3.28Å; K1536-Q1540 VanDerWaalsContact O-N 3.16Å |
| 1537 | G | 37.9 | Very low | 34.6 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 8.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | I1533 | I1533-G1537 PolarHBondContact O-N 2.98Š|
| 1538 | L | 36.1 | Very low | 33.9 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 75% | 0.749 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | -9.4 | 171.5 | -156.9 | 71.6 | 0 | 0 | 0 | 113.3 | K1536 | K1536-L1538 PolarHBondContact O-N 3.04Š|
| 1539 | F | 29.8 | Very low | 32.6 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 76% | 0.763 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -0.6 | 176.3 | -112.9 | -77.5 | 0 | 0 | 0 | 112.8 | K1536 | K1536-F1539 PolarHBondContact O-N 2.88Š|
| 1540 | Q | 31.5 | Very low | 31.9 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -111.2 | 13.3 | 179.1 | -160.9 | 163.7 | -19.4 | 0 | 0 | 112.2 | K1536 | K1536-Q1540 PolarHBondContact O-N 3.28Å; K1536-Q1540 VanDerWaalsContact O-N 3.16Å |
| 1541 | K | 30 | Very low | 31 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -109.8 | 16.7 | 173.5 | -150.7 | -151.5 | 178.9 | -69.3 | 0 | 113.3 | D2022 | K1541-D2022 VanDerWaalsContact NZ-CG 3.27Å; K1541-D2022 IonicContact NZ-OD1 2.73Å; K1541-D2022 PolarHBondContact NZ-OD1 3.03Å; K1541-D2022 IonicContact NZ-OD2 3.21Å; K1541-D2022 PolarHBondContact NZ-OD2 3.44Å |
| 1542 | E | 27.3 | Very low | 30.3 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 71% | 0.71 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -139.8 | 20.5 | 179.3 | -64.8 | 177.2 | 150.3 | 0 | 0 | 110.8 | ||
| 1543 | F | 25.8 | Very low | 29.9 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 85% | 0.846 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -152.6 | 19.2 | -177.9 | -129.5 | -78.7 | 0 | 0 | 0 | 113.6 | ||
| 1544 | V | 27.4 | Very low | 29.4 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -95.1 | -30.5 | 170 | 169.8 | 0 | 0 | 0 | 0 | 109.7 | L1546 D1549 | V1544-L1546 VanDerWaalsContact C-N 3.26Å; V1544-L1546 PolarHBondContact O-N 3.45Å; V1544-D1549 WeakPolarHBondContact CG1-OD1 3.37Å |
| 1545 | D | 25.6 | Very low | 29.4 | Very low | 49 Ų | 49 | 123.6 Ų | 123.6 | 26% | 0.262 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | 0.4 | -153.9 | -45.1 | 32.7 | 0 | 0 | 0 | 114 | D1549 P2021 | D1545-D1549 WeakPolarHBondContact CA-OD2 3.41Å; D1545-P2021 HydrophobicContact CB-CB 3.81Å; D1545-P2021 HydrophobicContact CB-CG 3.62Å; D1545-P2021 WeakPolarHBondContact OD2-CB 3.35Å; D1545-P2021 WeakPolarHBondContact OD2-CG 3.4Å |
| 1546 | L | 25.9 | Very low | 29.6 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 85% | 0.848 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 13 | -172.8 | -79.6 | 177.2 | 0 | 0 | 0 | 116.1 | V1544 | V1544-L1546 VanDerWaalsContact C-N 3.26Å; V1544-L1546 PolarHBondContact O-N 3.45Å |
| 1547 | N | 26.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 120 Ų | 120 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -163.4 | 125.4 | 149.6 | -120.5 | -80.1 | 0 | 0 | 0 | 113.4 | ||
| 1548 | Y | 26.9 | Very low | 31.7 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 57% | 0.569 | 59% | 0.592 | S | S | * | * | trans | 57.1 | 48.4 | -173.8 | -76.6 | -87.4 | 0 | 0 | 0 | 114.7 | V1550 R1956 | Y1548-V1550 PolarHBondContact O-N 3.37Å; Y1548-R1956 PolarHBondContact OH-NH2 2.81Å | ||
| 1549 | D | 22.7 | Very low | 33.4 | Very low | 59 Ų | 59 | 114.1 Ų | 114.1 | 32% | 0.316 | 56% | 0.56 | S | S | . | * | trans | -65.7 | 82.5 | 147.8 | -118.9 | -10.1 | 0 | 0 | 0 | 109.5 | V1544 D1545 | V1544-D1549 WeakPolarHBondContact CG1-OD1 3.37Å; D1545-D1549 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 1550 | V | 27.4 | Very low | 35.5 | Very low | 98 Ų | 98 | 106.7 Ų | 106.7 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | trans | -109.9 | 113.2 | 131.3 | 175.6 | 0 | 0 | 0 | 0 | 103.5 | Y1548 T1552 | Y1548-V1550 PolarHBondContact O-N 3.37Å; V1550-T1552 PolarHBondContact O-N 3.12Å; V1550-T1552 VanDerWaalsContact O-N 3.16Å | ||
| 1551 | E | 25.5 | Very low | 37.8 | Very low | 148 Ų | 148 | 104.6 Ų | 104.6 | 69% | 0.692 | 52% | 0.523 | S | S | * | . | trans | -45.1 | 125.1 | -179.8 | -68.5 | 180 | 99 | 0 | 0 | 109.9 | H1553 | E1551-H1553 PolarHBondContact O-N 3.32Š| ||
| 1552 | T | 24.7 | Very low | 40.2 | Very low | 137 Ų | 137 | 99.8 Ų | 99.8 | 84% | 0.84 | 50% | 0.503 | S | S | * | . | trans | -73.4 | 76.7 | 165.6 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | V1550 E1554 | V1550-T1552 PolarHBondContact O-N 3.12Å; V1550-T1552 VanDerWaalsContact O-N 3.16Å; T1552-E1554 PolarHBondContact O-N 3.05Å | ||
| 1553 | H | 31.7 | Very low | 43.1 | Very low | 155 Ų | 155 | 96.2 Ų | 96.2 | 72% | 0.718 | 49% | 0.488 | S | S | * | . | -36.3 | 127.7 | 128 | -78.7 | -75.6 | 0 | 0 | 0 | 107.1 | E1551 D1555 | E1551-H1553 PolarHBondContact O-N 3.32Å; H1553-D1555 PolarHBondContact O-N 3.38Å | |||
| 1554 | E | 31.3 | Very low | 46 | Very low | 155 Ų | 155 | 89.2 Ų | 89.2 | 72% | 0.724 | 46% | 0.461 | S | S | * | . | trans | -46.4 | 124.6 | 169.8 | -61.2 | -179.2 | 140.5 | 0 | 0 | 106.7 | T1552 Q1556 | T1552-E1554 PolarHBondContact O-N 3.05Å; E1554-Q1556 HydrophobicContact CB-CG 4.5Å; E1554-Q1556 WeakPolarHBondContact O-CG 3.36Å; E1554-Q1556 PolarHBondContact O-N 3.4Å | ||
| 1555 | D | 37.2 | Very low | 49 | Very low | 138 Ų | 138 | 87.6 Ų | 87.6 | 74% | 0.738 | 45% | 0.448 | S | S | * | . | trans | -73.3 | 80.6 | -170.1 | -153 | -8.6 | 0 | 0 | 0 | 108.4 | H1553 S1557 | H1553-D1555 PolarHBondContact O-N 3.38Å; D1555-S1557 PolarHBondContact O-N 3.04Å | ||
| 1556 | Q | 38.8 | Very low | 51.8 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 41% | 0.411 | 46% | 0.461 | S | S | . | . | trans | -73.5 | 45.5 | 171.6 | -65.7 | 175.9 | 20.4 | 0 | 0 | 107.9 | T1398 E1554 W1558 | T1398-Q1556 PolarHBondContact O-OE1 2.83Å; E1554-Q1556 HydrophobicContact CB-CG 4.5Å; E1554-Q1556 WeakPolarHBondContact O-CG 3.36Å; E1554-Q1556 PolarHBondContact O-N 3.4Å; Q1556-W1558 VanDerWaalsContact C-N 3.33Å; Q1556-W1558 PolarHBondContact O-N 3.38Å | ||
| 1557 | S | 52.4 | Low | 54.9 | Low | 43 Ų | 43 | 83.7 Ų | 83.7 | 30% | 0.301 | 43% | 0.434 | S | S | . | . | trans | -62.8 | 98.7 | 175.8 | 67.2 | 0 | 0 | 0 | 0 | 107.1 | D1555 V1559 | D1555-S1557 PolarHBondContact O-N 3.04Å; S1557-V1559 PolarHBondContact O-N 3.38Å | ||
| 1558 | W | 61.5 | Low | 58.1 | Low | 67 Ų | 67 | 78 Ų | 78 | 25% | 0.254 | 40% | 0.404 | S | S | . | . | trans | -54.9 | -11.1 | 162.6 | 54 | -95.2 | 0 | 0 | 0 | 113 | P1402 Q1406 A1410 Q1556 Y1753 | P1402-W1558 HydrophobicContact CB-CB 3.85Å; P1402-W1558 HydrophobicContact CB-CD2 3.64Å; P1402-W1558 HydrophobicContact CB-CE3 3.91Å; P1402-W1558 HydrophobicContact CB-CG 3.58Å; P1402-W1558 HydrophobicContact CG-CB 3.83Å; P1402-W1558 HydrophobicContact CG-CD2 4.28Å; P1402-W1558 HydrophobicContact CG-CE3 4.24Å; P1402-W1558 HydrophobicContact CG-CG 4.1Å; Q1406-W1558 HydrophobicContact CB-CH2 4.29Å; Q1406-W1558 HydrophobicContact CB-CZ2 3.69Å; Q1406-W1558 HydrophobicContact CG-CZ2 4.23Å; Q1406-W1558 WeakPolarHBondContact O-CH2 3.25Å; A1410-W1558 HydrophobicContact CB-CH2 3.67Å; A1410-W1558 HydrophobicContact CB-CZ3 3.61Å; Q1556-W1558 VanDerWaalsContact C-N 3.33Å; Q1556-W1558 PolarHBondContact O-N 3.38Å; W1558-Y1753 HydrophobicContact CZ3-CE1 4.11Å; W1558-Y1753 AromaticContact CZ3-CZ 3.92Å; W1558-Y1753 PolarHBondContact O-OH 3.04Å | ||
| 1559 | V | 71.7 | Confident | 61.2 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -74 | 128.2 | 172.1 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | T1414 R1415 V1418 S1557 Y1753 | T1414-V1559 HydrophobicContact CG2-CB 4.31Å; T1414-V1559 HydrophobicContact CG2-CG1 3.73Å; T1414-V1559 HydrophobicContact CG2-CG2 3.55Å; R1415-V1559 HydrophobicContact CG-CG1 4.2Å; V1418-V1559 HydrophobicContact CB-CG1 4.09Å; V1418-V1559 HydrophobicContact CG1-CG1 4.48Å; V1418-V1559 HydrophobicContact CG2-CB 4.17Å; V1418-V1559 HydrophobicContact CG2-CG1 3.97Å; V1418-V1559 HydrophobicContact CG2-CG2 4.36Å; S1557-V1559 PolarHBondContact O-N 3.38Å; V1559-Y1753 WeakPolarHBondContact CA-OH 3.42Å |
| 1560 | E | 74.1 | Confident | 64.3 | Low | 19 Ų | 19 | 70.5 Ų | 70.5 | 9% | 0.089 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 138.8 | 173.9 | -64.5 | -167.6 | 122 | 0 | 0 | 113.3 | R1415 K1747 Y1749 C1754 | R1415-E1560 VanDerWaalsContact CB-O 3.26Å; R1415-E1560 WeakPolarHBondContact CB-O 3.48Å; R1415-E1560 WeakPolarHBondContact CG-O 2.99Å; R1415-E1560 PolarHBondContact NE-O 2.58Å; E1560-K1747 IonicContact OE1-NZ 3.36Å; E1560-K1747 PolarHBondContact OE1-NZ 2.92Å; E1560-Y1749 PolarHBondContact OE1-OH 2.85Å; E1560-Y1749 WeakPolarHBondContact OE2-CE2 3.4Å; E1560-C1754 PolarHBondContact OE2-SG 3.4Å |
| 1561 | T | 79.1 | Confident | 67.2 | Low | 69 Ų | 69 | 71.8 Ų | 71.8 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 169.2 | 172.3 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | R1415 V1418 T1419 | R1415-T1561 PolarHBondContact NH2-O 2.72Å; V1418-T1561 HydrophobicContact CG1-CG2 4.22Å; T1419-T1561 VanDerWaalsContact OG1-CA 3.26Å; T1419-T1561 WeakPolarHBondContact OG1-CA 3.41Å |
| 1562 | I | 81.8 | Confident | 70.1 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | trans | -123.5 | 152.9 | 176.1 | -63.4 | 163.2 | 0 | 0 | 0 | 107.7 | W1412 R1415 T1419 E1835 V1837 | W1412-I1562 HydrophobicContact CZ2-CD1 4.26Å; R1415-I1562 HydrophobicContact CB-CD1 3.66Å; R1415-I1562 HydrophobicContact CB-CG1 4.11Å; T1419-I1562 WeakPolarHBondContact CG2-O 3.34Å; T1419-I1562 PolarHBondContact OG1-N 3.45Å; I1562-E1835 HydrophobicContact CG2-CG 4.4Å; I1562-V1837 HydrophobicContact CG2-CG2 4.24Å | ||
| 1563 | L | 86.5 | Confident | 72.7 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.2 | 173.7 | -172.7 | 59.1 | 0 | 0 | 0 | 110.9 | Y1565 E1835 H1836 V1837 | L1563-Y1565 HydrophobicContact CD2-CE1 3.97Å; L1563-Y1565 HydrophobicContact CD2-CE2 3.89Å; L1563-Y1565 VanDerWaalsContact CD2-CZ 3.48Å; L1563-Y1565 WeakPolarHBondContact CD2-OH 3.4Å; L1563-Y1565 HydrophobicContact CG-CE2 4.37Å; L1563-E1835 WeakPolarHBondContact CB-O 3.43Å; L1563-E1835 PolarHBondContact N-O 2.99Å; L1563-H1836 HydrophobicContact CB-CB 4.26Å; L1563-H1836 CarbonylContact O-C 3.48Å; L1563-H1836 WeakPolarHBondContact O-CA 3.21Å; L1563-V1837 PolarHBondContact O-N 3.49Å |
| 1564 | V | 87.6 | Confident | 75.1 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.4 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | T1419 V1837 | T1419-V1564 HydrophobicContact CG2-CG2 3.62Å; V1564-V1837 CarbonylContact C-O 3.21Å; V1564-V1837 WeakPolarHBondContact CA-O 3.43Å; V1564-V1837 HydrophobicContact CG1-CB 4.47Å; V1564-V1837 HydrophobicContact CG2-CB 4.37Å |
| 1565 | Y | 90.5 | Very high | 77.7 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | trans | -76.4 | 131.4 | 173.2 | -66.7 | -70.5 | 0 | 0 | 0 | 110 | L1563 V1567 L1569 V1572 F1575 H1836 V1837 T1839 | L1563-Y1565 HydrophobicContact CD2-CE1 3.97Å; L1563-Y1565 HydrophobicContact CD2-CE2 3.89Å; L1563-Y1565 VanDerWaalsContact CD2-CZ 3.48Å; L1563-Y1565 WeakPolarHBondContact CD2-OH 3.4Å; L1563-Y1565 HydrophobicContact CG-CE2 4.37Å; Y1565-V1567 PolarHBondContact O-N 3.31Å; Y1565-L1569 HydrophobicContact CD2-CD1 3.6Å; Y1565-L1569 HydrophobicContact CE2-CD1 3.52Å; Y1565-L1569 HydrophobicContact CG-CD1 4.44Å; Y1565-V1572 HydrophobicContact CD1-CG1 4.38Å; Y1565-V1572 HydrophobicContact CD1-CG2 3.67Å; Y1565-V1572 HydrophobicContact CE1-CG1 3.96Å; Y1565-V1572 HydrophobicContact CE1-CG2 3.99Å; Y1565-V1572 HydrophobicContact CG-CG2 4.06Å; Y1565-F1575 HydrophobicContact CE2-CE2 4.42Å; Y1565-F1575 AromaticContact CZ-CE2 3.98Å; Y1565-F1575 WeakPolarHBondContact OH-CZ 3.47Å; Y1565-H1836 HydrophobicContact CD2-CB 3.74Å; Y1565-H1836 AromaticContact CD2-CD2 3.98Å; Y1565-H1836 AromaticContact CD2-CG 3.94Å; Y1565-H1836 HydrophobicContact CE2-CB 3.56Å; Y1565-H1836 AromaticContact CE2-CG 3.78Å; Y1565-V1837 PolarHBondContact N-O 2.85Å; Y1565-T1839 WeakPolarHBondContact O-CB 3.13Å; Y1565-T1839 PolarHBondContact O-N 2.71Å; Y1565-T1839 PolarHBondContact O-OG1 3.28Å | ||
| 1566 | P | 85.2 | Confident | 79.7 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 53% | 0.532 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -82.5 | 5.6 | -177.8 | 35 | -37.7 | 0 | 0 | 0 | 113.9 | R1854 | P1566-R1854 PolarHBondContact O-NH1 2.89Š|
| 1567 | V | 90.3 | Very high | 81.7 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -139.3 | 176.4 | -173.6 | -71 | 0 | 0 | 0 | 0 | 109.7 | Y1565 E1571 V1572 T1839 | Y1565-V1567 PolarHBondContact O-N 3.31Å; V1567-E1571 HydrophobicContact CB-CB 4.19Å; V1567-E1571 WeakPolarHBondContact CB-OE2 3.47Å; V1567-E1571 HydrophobicContact CG2-CB 4.29Å; V1567-V1572 HydrophobicContact CG2-CG2 4.06Å; V1567-T1839 CarbonylContact C-O 3.56Å; V1567-T1839 WeakPolarHBondContact CA-O 3.33Å; V1567-T1839 PolarHBondContact O-N 3.46Å |
| 1568 | A | 92.5 | Very high | 83.4 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | -65.9 | 146.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | E1570 E1571 R1840 | A1568-E1570 WeakPolarHBondContact CB-OE2 3.36Å; A1568-E1570 PolarHBondContact O-N 2.96Å; A1568-E1571 HydrophobicContact CB-CG 3.99Å; A1568-E1571 PolarHBondContact N-OE2 3.19Å; A1568-E1571 WeakPolarHBondContact O-CB 3.42Å; A1568-E1571 PolarHBondContact O-N 3.37Å; A1568-R1840 HydrophobicContact CB-CG 4.32Å | ||
| 1569 | L | 92.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -62.6 | -30.3 | -173.2 | -166.7 | 70.2 | 0 | 0 | 0 | 113.3 | Y1565 E1571 V1572 F1575 F1578 A1740 V1833 E1838 | Y1565-L1569 HydrophobicContact CD2-CD1 3.6Å; Y1565-L1569 HydrophobicContact CE2-CD1 3.52Å; Y1565-L1569 HydrophobicContact CG-CD1 4.44Å; L1569-E1571 VanDerWaalsContact C-N 3.3Å; L1569-E1571 PolarHBondContact O-N 3.42Å; L1569-V1572 WeakPolarHBondContact O-CB 3.46Å; L1569-V1572 WeakPolarHBondContact O-CG2 3.41Å; L1569-V1572 PolarHBondContact O-N 3.28Å; L1569-F1575 HydrophobicContact CD1-CD2 4.2Å; L1569-F1575 HydrophobicContact CD1-CE2 3.83Å; L1569-F1575 HydrophobicContact CG-CD2 4.31Å; L1569-F1575 HydrophobicContact CG-CE2 4.4Å; L1569-F1578 HydrophobicContact CB-CE2 4.41Å; L1569-F1578 HydrophobicContact CD2-CE2 3.98Å; L1569-F1578 HydrophobicContact CD2-CZ 3.69Å; L1569-F1578 HydrophobicContact CG-CE2 4.08Å; L1569-F1578 HydrophobicContact CG-CZ 3.8Å; L1569-A1740 HydrophobicContact CD2-CB 4.47Å; L1569-V1833 HydrophobicContact CD2-CG1 4.35Å; L1569-E1838 HydrophobicContact CB-CB 4.34Å; L1569-E1838 PolarHBondContact N-OE2 3.02Å |
| 1570 | E | 87.5 | Confident | 84.4 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -70.1 | -26.8 | 176.5 | -50.4 | 82.2 | 180 | 0 | 0 | 112.4 | A1568 V1572 G1577 F1578 R1733 R1840 | A1568-E1570 WeakPolarHBondContact CB-OE2 3.36Å; A1568-E1570 PolarHBondContact O-N 2.96Å; E1570-V1572 PolarHBondContact O-N 3.04Å; E1570-G1577 VanDerWaalsContact O-CA 3.26Å; E1570-G1577 WeakPolarHBondContact O-CA 3.35Å; E1570-G1577 PolarHBondContact O-N 3.21Å; E1570-F1578 HydrophobicContact CB-CD2 4.49Å; E1570-F1578 HydrophobicContact CG-CD2 3.89Å; E1570-F1578 HydrophobicContact CG-CE2 4.12Å; E1570-R1733 IonicContact OE1-CZ 3.47Å; E1570-R1733 IonicContact OE1-NE 3.72Å; E1570-R1733 PolarHBondContact OE1-NE 3.37Å; E1570-R1733 VanDerWaalsContact OE1-NE 3.1Å; E1570-R1733 IonicContact OE1-NH2 2.71Å; E1570-R1733 PolarHBondContact OE1-NH2 3.23Å; E1570-R1733 IonicContact OE2-NH2 3.4Å; E1570-R1840 IonicContact OE1-CZ 3.38Å; E1570-R1840 IonicContact OE1-NH1 3.69Å; E1570-R1840 PolarHBondContact OE1-NH1 2.91Å; E1570-R1840 IonicContact OE1-NH2 2.72Å; E1570-R1840 IonicContact OE2-CZ 3.04Å; E1570-R1840 IonicContact OE2-NH1 3.79Å; E1570-R1840 PolarHBondContact OE2-NH1 2.88Å; E1570-R1840 IonicContact OE2-NH2 2.89Å; E1570-R1840 PolarHBondContact OE2-NH2 2.78Å |
| 1571 | E | 88.5 | Confident | 84.6 | Confident | 125 Ų | 125 | 49 Ų | 49 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -80.5 | -2.5 | -179.5 | -61.7 | 174.2 | 158.1 | 0 | 0 | 112.7 | V1567 A1568 L1569 P1573 | V1567-E1571 HydrophobicContact CB-CB 4.19Å; V1567-E1571 WeakPolarHBondContact CB-OE2 3.47Å; V1567-E1571 HydrophobicContact CG2-CB 4.29Å; A1568-E1571 HydrophobicContact CB-CG 3.99Å; A1568-E1571 PolarHBondContact N-OE2 3.19Å; A1568-E1571 WeakPolarHBondContact O-CB 3.42Å; A1568-E1571 PolarHBondContact O-N 3.37Å; L1569-E1571 VanDerWaalsContact C-N 3.3Å; L1569-E1571 PolarHBondContact O-N 3.42Å; E1571-P1573 WeakPolarHBondContact O-CD 3.48Å |
| 1572 | V | 87.7 | Confident | 85 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | trans | -77.2 | 121.1 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | Y1565 V1567 L1569 E1570 D1574 F1575 | Y1565-V1572 HydrophobicContact CD1-CG1 4.38Å; Y1565-V1572 HydrophobicContact CD1-CG2 3.67Å; Y1565-V1572 HydrophobicContact CE1-CG1 3.96Å; Y1565-V1572 HydrophobicContact CE1-CG2 3.99Å; Y1565-V1572 HydrophobicContact CG-CG2 4.06Å; V1567-V1572 HydrophobicContact CG2-CG2 4.06Å; L1569-V1572 WeakPolarHBondContact O-CB 3.46Å; L1569-V1572 WeakPolarHBondContact O-CG2 3.41Å; L1569-V1572 PolarHBondContact O-N 3.28Å; E1570-V1572 PolarHBondContact O-N 3.04Å; V1572-D1574 VanDerWaalsContact C-N 3.26Å; V1572-D1574 HydrophobicContact CG1-CB 4.28Å; V1572-D1574 PolarHBondContact O-N 2.95Å; V1572-D1574 VanDerWaalsContact O-N 3.14Å; V1572-F1575 HydrophobicContact CB-CD2 3.73Å; V1572-F1575 HydrophobicContact CB-CE2 4.14Å; V1572-F1575 HydrophobicContact CG1-CD2 3.86Å; V1572-F1575 HydrophobicContact CG1-CE2 3.92Å; V1572-F1575 HydrophobicContact CG2-CD2 4.41Å; V1572-F1575 PolarHBondContact O-N 2.84Å | ||
| 1573 | P | 79.4 | Confident | 85.1 | Confident | 117 Ų | 117 | 46.5 Ų | 46.5 | 76% | 0.76 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -56.7 | -35.4 | -173.5 | -29.1 | 36 | 0 | 0 | 0 | 114.9 | E1571 F1575 N1576 | E1571-P1573 WeakPolarHBondContact O-CD 3.48Å; P1573-F1575 PolarHBondContact O-N 3.14Å; P1573-F1575 VanDerWaalsContact O-N 3.07Å; P1573-N1576 PolarHBondContact O-N 2.89Å |
| 1574 | D | 81.5 | Confident | 85.2 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 40% | 0.401 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -62.2 | -12.1 | 179 | -81.6 | 6 | 0 | 0 | 0 | 114.3 | V1572 H1738 K1831 | V1572-D1574 VanDerWaalsContact C-N 3.26Å; V1572-D1574 HydrophobicContact CG1-CB 4.28Å; V1572-D1574 PolarHBondContact O-N 2.95Å; V1572-D1574 VanDerWaalsContact O-N 3.14Å; D1574-H1738 PolarHBondContact O-CE1 3.01Å; D1574-H1738 VanDerWaalsContact O-CE1 3.28Å; D1574-K1831 HydrophobicContact CB-CD 4.01Å; D1574-K1831 IonicContact OD1-NZ 2.73Å; D1574-K1831 PolarHBondContact OD1-NZ 3.42Å; D1574-K1831 WeakPolarHBondContact OD2-CD 3.46Å; D1574-K1831 IonicContact OD2-NZ 2.85Å; D1574-K1831 PolarHBondContact OD2-NZ 3.41Å |
| 1575 | F | 86.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -119.2 | -0.3 | -176.2 | -55.4 | -35.6 | 0 | 0 | 0 | 114.4 | Y1565 L1569 V1572 P1573 G1577 F1578 H1738 V1833 | Y1565-F1575 HydrophobicContact CE2-CE2 4.42Å; Y1565-F1575 AromaticContact CZ-CE2 3.98Å; Y1565-F1575 WeakPolarHBondContact OH-CZ 3.47Å; L1569-F1575 HydrophobicContact CD1-CD2 4.2Å; L1569-F1575 HydrophobicContact CD1-CE2 3.83Å; L1569-F1575 HydrophobicContact CG-CD2 4.31Å; L1569-F1575 HydrophobicContact CG-CE2 4.4Å; V1572-F1575 HydrophobicContact CB-CD2 3.73Å; V1572-F1575 HydrophobicContact CB-CE2 4.14Å; V1572-F1575 HydrophobicContact CG1-CD2 3.86Å; V1572-F1575 HydrophobicContact CG1-CE2 3.92Å; V1572-F1575 HydrophobicContact CG2-CD2 4.41Å; V1572-F1575 PolarHBondContact O-N 2.84Å; P1573-F1575 PolarHBondContact O-N 3.14Å; P1573-F1575 VanDerWaalsContact O-N 3.07Å; F1575-G1577 VanDerWaalsContact C-N 3.3Å; F1575-G1577 PolarHBondContact O-N 3.39Å; F1575-G1577 VanDerWaalsContact O-N 3.1Å; F1575-F1578 HydrophobicContact CB-CD1 3.95Å; F1575-F1578 HydrophobicContact CB-CE1 3.51Å; F1575-F1578 HydrophobicContact CB-CZ 4.12Å; F1575-F1578 HydrophobicContact CD2-CE1 4.17Å; F1575-F1578 HydrophobicContact CD2-CZ 4.15Å; F1575-F1578 AromaticContact CG-CE1 3.83Å; F1575-F1578 HydrophobicContact CG-CE1 3.83Å; F1575-F1578 HydrophobicContact CG-CZ 4.28Å; F1575-F1578 PolarHBondContact O-N 3.27Å; F1575-H1738 HydrophobicContact CD1-CB 4.07Å; F1575-H1738 AromaticContact CD1-CG 3.9Å; F1575-H1738 AromaticContact CD1-ND1 3.71Å; F1575-V1833 HydrophobicContact CD1-CG2 4.26Å; F1575-V1833 HydrophobicContact CD2-CG2 4.37Å; F1575-V1833 HydrophobicContact CE1-CG2 3.86Å; F1575-V1833 HydrophobicContact CE2-CG2 3.99Å; F1575-V1833 HydrophobicContact CZ-CB 4.38Å; F1575-V1833 HydrophobicContact CZ-CG2 3.73Å |
| 1576 | N | 78.3 | Confident | 85.1 | Confident | 120 Ų | 120 | 42.4 Ų | 42.4 | 64% | 0.642 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | 45.8 | 43.6 | 172.2 | -165.8 | 27.6 | 0 | 0 | 0 | 115.3 | P1573 F1578 N1579 | P1573-N1576 PolarHBondContact O-N 2.89Å; N1576-F1578 PolarHBondContact O-N 3.42Å; N1576-F1578 VanDerWaalsContact O-N 3.12Å; N1576-N1579 PolarHBondContact O-N 3.2Å; N1576-N1579 PolarHBondContact O-ND2 3.19Å |
| 1577 | G | 82.4 | Confident | 85.2 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 65.8 | 9.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1570 F1575 N1579 | E1570-G1577 VanDerWaalsContact O-CA 3.26Å; E1570-G1577 WeakPolarHBondContact O-CA 3.35Å; E1570-G1577 PolarHBondContact O-N 3.21Å; F1575-G1577 VanDerWaalsContact C-N 3.3Å; F1575-G1577 PolarHBondContact O-N 3.39Å; F1575-G1577 VanDerWaalsContact O-N 3.1Å; G1577-N1579 PolarHBondContact O-N 3.19Å |
| 1578 | F | 86.8 | Confident | 84.7 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | 52.5 | 30.5 | -166.5 | -52.7 | -51.8 | 0 | 0 | 0 | 114 | L1569 E1570 F1575 N1576 S1580 R1733 S1736 H1738 A1740 V1833 | L1569-F1578 HydrophobicContact CB-CE2 4.41Å; L1569-F1578 HydrophobicContact CD2-CE2 3.98Å; L1569-F1578 HydrophobicContact CD2-CZ 3.69Å; L1569-F1578 HydrophobicContact CG-CE2 4.08Å; L1569-F1578 HydrophobicContact CG-CZ 3.8Å; E1570-F1578 HydrophobicContact CB-CD2 4.49Å; E1570-F1578 HydrophobicContact CG-CD2 3.89Å; E1570-F1578 HydrophobicContact CG-CE2 4.12Å; F1575-F1578 HydrophobicContact CB-CD1 3.95Å; F1575-F1578 HydrophobicContact CB-CE1 3.51Å; F1575-F1578 HydrophobicContact CB-CZ 4.12Å; F1575-F1578 HydrophobicContact CD2-CE1 4.17Å; F1575-F1578 HydrophobicContact CD2-CZ 4.15Å; F1575-F1578 AromaticContact CG-CE1 3.83Å; F1575-F1578 HydrophobicContact CG-CE1 3.83Å; F1575-F1578 HydrophobicContact CG-CZ 4.28Å; F1575-F1578 PolarHBondContact O-N 3.27Å; N1576-F1578 PolarHBondContact O-N 3.42Å; N1576-F1578 VanDerWaalsContact O-N 3.12Å; F1578-S1580 PolarHBondContact O-N 3.19Å; F1578-R1733 HydrophobicContact CD2-CG 3.86Å; F1578-R1733 HydrophobicContact CE2-CG 3.91Å; F1578-S1736 WeakPolarHBondContact CD1-OG 3.43Å; F1578-H1738 HydrophobicContact CD1-CB 4.35Å; F1578-H1738 HydrophobicContact CE1-CB 4.05Å; F1578-A1740 HydrophobicContact CD1-CB 4.41Å; F1578-A1740 HydrophobicContact CE1-CB 3.71Å; F1578-A1740 HydrophobicContact CE2-CB 4.02Å; F1578-A1740 HydrophobicContact CZ-CB 3.49Å; F1578-A1740 VanDerWaalsContact CZ-CB 3.49Å; F1578-V1833 HydrophobicContact CE1-CG2 4.3Å; F1578-V1833 HydrophobicContact CZ-CG2 4.38Å |
| 1579 | N | 78.5 | Confident | 83.8 | Confident | 61 Ų | 61 | 41.7 Ų | 41.7 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | trans | -71.4 | 23.5 | -177.4 | -68.5 | -63.4 | 0 | 0 | 0 | 114.6 | N1576 G1577 F1582 L1583 | N1576-N1579 PolarHBondContact O-N 3.2Å; N1576-N1579 PolarHBondContact O-ND2 3.19Å; G1577-N1579 PolarHBondContact O-N 3.19Å; N1579-F1582 CarbonylContact C-O 3.5Å; N1579-F1582 VanDerWaalsContact C-O 3.29Å; N1579-F1582 VanDerWaalsContact CA-O 3.24Å; N1579-F1582 WeakPolarHBondContact CA-O 3.49Å; N1579-L1583 HydrophobicContact CB-CD1 4.33Å; N1579-L1583 WeakPolarHBondContact OD1-CD1 3.47Å | ||
| 1580 | S | 75.6 | Confident | 82.3 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -146.6 | 121.3 | -179 | -175.4 | 0 | 0 | 0 | 0 | 110 | F1578 S1736 | F1578-S1580 PolarHBondContact O-N 3.19Å; S1580-S1736 WeakPolarHBondContact O-CA 3.42Å |
| 1581 | P | 79.6 | Confident | 80.8 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | S | Bend | cis | -79.4 | -7.9 | 10 | 33.3 | -37.5 | 0 | 0 | 0 | 114.9 | M1168 N1609 T1633 P1635 H1735 | M1168-P1581 WeakPolarHBondContact CE-O 3.47Å; P1581-N1609 WeakPolarHBondContact O-CB 3.3Å; P1581-N1609 PolarHBondContact O-ND2 3.32Å; P1581-T1633 WeakPolarHBondContact CB-O 3.23Å; P1581-P1635 HydrophobicContact CG-CG 4.12Å; P1581-H1735 VanDerWaalsContact CD-O 3.29Å; P1581-H1735 WeakPolarHBondContact CD-O 3.35Å; P1581-H1735 HydrophobicContact CG-CB 3.96Å |
| 1582 | F | 86.8 | Confident | 79 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -113.8 | 122.8 | -170.3 | -56.8 | -48.4 | 0 | 0 | 0 | 114 | M1168 W1170 N1579 K1607 G1608 P1635 E1731 N1732 H1735 | M1168-F1582 HydrophobicContact CE-CD1 3.47Å; M1168-F1582 VanDerWaalsContact CE-CD1 3.47Å; M1168-F1582 HydrophobicContact CE-CE1 3.55Å; W1170-F1582 HydrophobicContact CB-CD1 4.15Å; W1170-F1582 HydrophobicContact CB-CE1 3.77Å; W1170-F1582 AromaticContact CD1-CE1 3.63Å; W1170-F1582 AromaticContact CD1-CZ 3.63Å; W1170-F1582 AromaticContact CD2-CE1 3.41Å; W1170-F1582 HydrophobicContact CD2-CE1 3.41Å; W1170-F1582 VanDerWaalsContact CD2-CE1 3.41Å; W1170-F1582 AromaticContact CD2-CZ 3.51Å; W1170-F1582 HydrophobicContact CD2-CZ 3.51Å; W1170-F1582 AromaticContact CE2-CE1 3.79Å; W1170-F1582 AromaticContact CE2-CZ 3.33Å; W1170-F1582 AromaticContact CE3-CE1 3.91Å; W1170-F1582 HydrophobicContact CE3-CE1 3.91Å; W1170-F1582 HydrophobicContact CE3-CZ 4.13Å; W1170-F1582 HydrophobicContact CG-CD1 4.08Å; W1170-F1582 AromaticContact CG-CE1 3.33Å; W1170-F1582 HydrophobicContact CG-CE1 3.33Å; W1170-F1582 AromaticContact CG-CZ 3.71Å; W1170-F1582 HydrophobicContact CG-CZ 3.71Å; W1170-F1582 HydrophobicContact CH2-CZ 4.39Å; W1170-F1582 AromaticContact CZ2-CZ 3.81Å; W1170-F1582 HydrophobicContact CZ2-CZ 3.81Å; W1170-F1582 AromaticContact NE1-CE1 3.89Å; W1170-F1582 AromaticContact NE1-CE2 3.99Å; W1170-F1582 AromaticContact NE1-CZ 3.4Å; N1579-F1582 CarbonylContact C-O 3.5Å; N1579-F1582 VanDerWaalsContact C-O 3.29Å; N1579-F1582 VanDerWaalsContact CA-O 3.24Å; N1579-F1582 WeakPolarHBondContact CA-O 3.49Å; F1582-K1607 HydrophobicContact CB-CD 4.15Å; F1582-K1607 HydrophobicContact CB-CG 3.82Å; F1582-K1607 HydrophobicContact CD1-CD 4.47Å; F1582-K1607 HydrophobicContact CD1-CG 4.12Å; F1582-K1607 HydrophobicContact CD2-CD 3.98Å; F1582-K1607 HydrophobicContact CD2-CG 4.42Å; F1582-K1607 HydrophobicContact CG-CD 3.96Å; F1582-K1607 HydrophobicContact CG-CG 3.88Å; F1582-G1608 CarbonylContact C-O 3.55Å; F1582-G1608 WeakPolarHBondContact CA-O 3.42Å; F1582-P1635 HydrophobicContact CE1-CG 4.46Å; F1582-P1635 HydrophobicContact CE2-CG 4.46Å; F1582-P1635 HydrophobicContact CZ-CG 3.77Å; F1582-E1731 HydrophobicContact CE2-CG 4.09Å; F1582-N1732 WeakPolarHBondContact CB-OD1 3.23Å; F1582-N1732 PolarHBondContact O-ND2 3.23Å; F1582-N1732 VanDerWaalsContact O-ND2 3.12Å; F1582-H1735 HydrophobicContact CD2-CB 4.26Å; F1582-H1735 HydrophobicContact CE2-CB 3.82Å; F1582-H1735 AromaticContact CE2-CD2 3.75Å; F1582-H1735 AromaticContact CE2-CG 3.78Å | ||
| 1583 | L | 84 | Confident | 77.3 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.4 | 159.2 | -178.1 | 61.5 | 0 | 0 | 0 | 109.4 | Y1259 N1579 L1585 G1608 | Y1259-L1583 HydrophobicContact CE1-CD2 3.7Å; Y1259-L1583 WeakPolarHBondContact OH-CD2 3.36Å; N1579-L1583 HydrophobicContact CB-CD1 4.33Å; N1579-L1583 WeakPolarHBondContact OD1-CD1 3.47Å; L1583-L1585 HydrophobicContact CD1-CD2 4.43Å; L1583-L1585 HydrophobicContact CD2-CD2 3.73Å; L1583-L1585 HydrophobicContact CD2-CG 4.22Å; L1583-L1585 HydrophobicContact CG-CD2 3.84Å; L1583-L1585 HydrophobicContact CG-CG 4.21Å; L1583-G1608 PolarHBondContact N-O 3.14Å; L1583-G1608 PolarHBondContact O-N 2.65Å; L1583-G1608 VanDerWaalsContact O-N 3.07Å |
| 1584 | N | 87.7 | Confident | 75.7 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.6 | 171.5 | -81.8 | -41.7 | 0 | 0 | 0 | 109.7 | W1173 F1606 K1607 D1729 N1732 | W1173-N1584 PolarHBondContact NE1-OD1 3.05Å; N1584-F1606 CarbonylContact C-O 3.56Å; N1584-F1606 WeakPolarHBondContact CA-O 3.26Å; N1584-K1607 WeakPolarHBondContact OD1-CB 3.46Å; N1584-K1607 WeakPolarHBondContact OD1-CE 3.19Å; N1584-D1729 PolarHBondContact ND2-OD2 3.45Å; N1584-N1732 PolarHBondContact ND2-ND2 2.89Å |
| 1585 | L | 88.1 | Confident | 73.9 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.6 | 177 | -60.9 | -178.4 | 0 | 0 | 0 | 110.5 | F1234 I1253 L1583 F1587 F1605 F1606 | F1234-L1585 HydrophobicContact CD1-CD1 4.29Å; F1234-L1585 HydrophobicContact CD2-CD1 4.01Å; F1234-L1585 HydrophobicContact CE1-CD1 4.2Å; F1234-L1585 HydrophobicContact CE2-CD1 3.91Å; F1234-L1585 HydrophobicContact CG-CD1 4.23Å; F1234-L1585 HydrophobicContact CZ-CD1 4.02Å; I1253-L1585 HydrophobicContact CD1-CD1 3.96Å; L1583-L1585 HydrophobicContact CD1-CD2 4.43Å; L1583-L1585 HydrophobicContact CD2-CD2 3.73Å; L1583-L1585 HydrophobicContact CD2-CG 4.22Å; L1583-L1585 HydrophobicContact CG-CD2 3.84Å; L1583-L1585 HydrophobicContact CG-CG 4.21Å; L1585-F1587 PolarHBondContact O-N 2.92Å; L1585-F1605 WeakPolarHBondContact O-CA 3.34Å; L1585-F1606 HydrophobicContact CB-CB 4.35Å; L1585-F1606 HydrophobicContact CB-CD1 4.42Å; L1585-F1606 HydrophobicContact CD1-CD1 4.2Å; L1585-F1606 HydrophobicContact CG-CD1 4.44Å; L1585-F1606 PolarHBondContact N-O 3.41Å; L1585-F1606 PolarHBondContact O-N 3.11Å |
| 1586 | P | 88.2 | Confident | 71.9 | Confident | 22 Ų | 22 | 52 Ų | 52 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124.6 | 177.3 | 25.7 | -32.3 | 0 | 0 | 0 | 111.8 | H1251 Y1588 I1602 F1605 | H1251-P1586 WeakPolarHBondContact CB-O 3.14Å; H1251-P1586 PolarHBondContact ND1-O 3.37Å; P1586-Y1588 HydrophobicContact CB-CE2 4.19Å; P1586-Y1588 HydrophobicContact CG-CE2 3.83Å; P1586-Y1588 WeakPolarHBondContact CG-OH 3.23Å; P1586-Y1588 WeakPolarHBondContact O-CD2 3.45Å; P1586-Y1588 WeakPolarHBondContact O-CE2 3.17Å; P1586-I1602 HydrophobicContact CB-CD1 4Å; P1586-I1602 HydrophobicContact CB-CG1 4.11Å; P1586-I1602 HydrophobicContact CB-CG2 4.15Å; P1586-F1605 HydrophobicContact CB-CD1 3.88Å; P1586-F1605 HydrophobicContact CB-CE1 3.69Å; P1586-F1605 HydrophobicContact CB-CZ 4.48Å; P1586-F1605 HydrophobicContact CG-CE1 4.48Å |
| 1587 | F | 87.8 | Confident | 70.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 130.3 | 165.9 | -65.8 | -64.8 | 0 | 0 | 0 | 109.8 | V1172 M1175 V1188 F1234 C1236 H1251 L1585 I1602 T1603 G1604 F1606 | V1172-F1587 HydrophobicContact CG1-CE2 4.11Å; M1175-F1587 HydrophobicContact CE-CD2 3.83Å; M1175-F1587 HydrophobicContact CE-CE2 3.91Å; V1188-F1587 HydrophobicContact CG1-CZ 4.1Å; V1188-F1587 HydrophobicContact CG2-CE2 4.42Å; V1188-F1587 HydrophobicContact CG2-CZ 3.84Å; F1234-F1587 HydrophobicContact CB-CE1 4.03Å; C1236-F1587 HydrophobicContact CB-CD1 4.1Å; C1236-F1587 HydrophobicContact CB-CD2 3.98Å; C1236-F1587 HydrophobicContact CB-CE1 3.79Å; C1236-F1587 HydrophobicContact CB-CE2 3.65Å; C1236-F1587 HydrophobicContact CB-CG 4.19Å; C1236-F1587 HydrophobicContact CB-CZ 3.54Å; H1251-F1587 HydrophobicContact CB-CD1 4.44Å; L1585-F1587 PolarHBondContact O-N 2.92Å; F1587-I1602 CarbonylContact O-C 3.6Å; F1587-I1602 VanDerWaalsContact O-CA 3.29Å; F1587-I1602 WeakPolarHBondContact O-CA 3.37Å; F1587-T1603 PolarHBondContact O-N 3.04Å; F1587-T1603 PolarHBondContact O-OG1 3.1Å; F1587-G1604 PolarHBondContact N-O 3.15Å; F1587-F1606 HydrophobicContact CE1-CB 4.44Å; F1587-F1606 HydrophobicContact CE2-CB 3.67Å; F1587-F1606 HydrophobicContact CZ-CB 3.58Å; F1587-F1606 HydrophobicContact CZ-CG 4.43Å |
| 1588 | Y | 79.6 | Confident | 68.9 | Low | 27 Ų | 27 | 48.2 Ų | 48.2 | 11% | 0.106 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149 | 175.5 | -60.3 | -82 | 0 | 0 | 0 | 111.4 | G1249 S1250 H1251 P1586 G1590 Q1592 S1598 R1601 I1602 | G1249-Y1588 CarbonylContact C-O 3.52Å; G1249-Y1588 WeakPolarHBondContact CA-O 3.36Å; S1250-Y1588 PolarHBondContact N-O 3.38Å; S1250-Y1588 PolarHBondContact O-N 3.36Å; H1251-Y1588 AromaticContact ND1-CE2 3.89Å; P1586-Y1588 HydrophobicContact CB-CE2 4.19Å; P1586-Y1588 HydrophobicContact CG-CE2 3.83Å; P1586-Y1588 WeakPolarHBondContact CG-OH 3.23Å; P1586-Y1588 WeakPolarHBondContact O-CD2 3.45Å; P1586-Y1588 WeakPolarHBondContact O-CE2 3.17Å; Y1588-G1590 WeakPolarHBondContact CB-O 3.49Å; Y1588-Q1592 HydrophobicContact CD2-CB 3.79Å; Y1588-Q1592 HydrophobicContact CD2-CG 3.9Å; Y1588-Q1592 HydrophobicContact CE2-CB 3.99Å; Y1588-Q1592 VanDerWaalsContact CE2-CD 3.45Å; Y1588-Q1592 HydrophobicContact CE2-CG 3.54Å; Y1588-Q1592 HydrophobicContact CG-CB 4.42Å; Y1588-S1598 WeakPolarHBondContact CD1-O 3.47Å; Y1588-S1598 WeakPolarHBondContact CE1-O 3.35Å; Y1588-R1601 CarbonylContact C-O 3.57Å; Y1588-R1601 WeakPolarHBondContact CA-O 3.36Å; Y1588-I1602 HydrophobicContact CD1-CG1 3.79Å; Y1588-I1602 HydrophobicContact CE1-CD1 4.12Å; Y1588-I1602 HydrophobicContact CE1-CG1 3.48Å; Y1588-I1602 VanDerWaalsContact CE1-CG1 3.48Å |
| 1589 | K | 73.2 | Confident | 67.6 | Low | 93 Ų | 93 | 52 Ų | 52 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -83.4 | 110.1 | 162.5 | -168.9 | 159.6 | -173.4 | 162.5 | 0 | 109.8 | S925 R1601 T1603 | S925-K1589 WeakPolarHBondContact O-CE 3.27Å; K1589-R1601 PolarHBondContact N-O 3.43Å; K1589-R1601 PolarHBondContact O-NH1 3.04Å; K1589-T1603 HydrophobicContact CB-CG2 3.82Å |
| 1590 | G | 62 | Low | 66.8 | Low | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 74.8 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G927 Y1588 Q1592 | G927-G1590 WeakPolarHBondContact O-CA 3.32Å; Y1588-G1590 WeakPolarHBondContact CB-O 3.49Å; G1590-Q1592 PolarHBondContact O-N 3.45Å |
| 1591 | K | 54 | Low | 66.6 | Low | 45 Ų | 45 | 54.2 Ų | 54.2 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | -49 | 126.3 | -173.3 | -165.5 | -166.2 | -168.4 | 156.5 | 0 | 113.7 | D919 L920 A922 M951 L1593 R1601 | D919-K1591 WeakPolarHBondContact O-CE 3.11Å; D919-K1591 PolarHBondContact O-NZ 3.5Å; L920-K1591 WeakPolarHBondContact O-CD 3.34Å; L920-K1591 WeakPolarHBondContact O-CE 3.3Å; L920-K1591 PolarHBondContact O-NZ 2.88Å; A922-K1591 HydrophobicContact CB-CB 4.33Å; M951-K1591 HydrophobicContact CE-CB 3.78Å; M951-K1591 HydrophobicContact CE-CD 4.43Å; M951-K1591 HydrophobicContact CE-CG 3.79Å; K1591-L1593 HydrophobicContact CD-CD2 4.12Å; K1591-L1593 PolarHBondContact O-N 2.91Å; K1591-R1601 VanDerWaalsContact O-CZ 3.26Å; K1591-R1601 PolarHBondContact O-NH1 2.74Å; K1591-R1601 PolarHBondContact O-NH2 2.94Å | ||
| 1592 | Q | 51.1 | Low | 66.5 | Low | 69 Ų | 69 | 55.8 Ų | 55.8 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | trans | -57.4 | 118.8 | 163.7 | -178.7 | 172.1 | -17.2 | 0 | 0 | 110 | Y1588 G1590 | Y1588-Q1592 HydrophobicContact CD2-CB 3.79Å; Y1588-Q1592 HydrophobicContact CD2-CG 3.9Å; Y1588-Q1592 HydrophobicContact CE2-CB 3.99Å; Y1588-Q1592 VanDerWaalsContact CE2-CD 3.45Å; Y1588-Q1592 HydrophobicContact CE2-CG 3.54Å; Y1588-Q1592 HydrophobicContact CG-CB 4.42Å; G1590-Q1592 PolarHBondContact O-N 3.45Å | ||
| 1593 | L | 52.2 | Low | 66.3 | Low | 74 Ų | 74 | 56.1 Ų | 56.1 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | trans | -106.7 | 149.7 | 173.3 | -65.5 | 171.6 | 0 | 0 | 0 | 108.8 | K1591 D1595 S1598 | K1591-L1593 HydrophobicContact CD-CD2 4.12Å; K1591-L1593 PolarHBondContact O-N 2.91Å; L1593-D1595 HydrophobicContact CB-CB 4.47Å; L1593-D1595 PolarHBondContact O-N 3.11Å; L1593-S1598 PolarHBondContact N-OG 3.5Å; L1593-S1598 VanDerWaalsContact N-OG 3.17Å; L1593-S1598 PolarHBondContact O-OG 2.89Å | ||
| 1594 | E | 45.3 | Very low | 66.5 | Low | 206 Ų | 206 | 54.8 Ų | 54.8 | 96% | 0.963 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -69.7 | -16.3 | 173.7 | -61.7 | -173.6 | 143.3 | 0 | 0 | 112.4 | ||
| 1595 | D | 44.7 | Very low | 66.6 | Low | 108 Ų | 108 | 55.5 Ų | 55.5 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -68.5 | 144.2 | 176.8 | -60.7 | -50.6 | 0 | 0 | 0 | 112.9 | L1593 A1597 S1598 | L1593-D1595 HydrophobicContact CB-CB 4.47Å; L1593-D1595 PolarHBondContact O-N 3.11Å; D1595-A1597 PolarHBondContact O-N 3.07Å; D1595-S1598 WeakPolarHBondContact O-CB 3.42Å; D1595-S1598 PolarHBondContact O-N 2.95Å; D1595-S1598 PolarHBondContact O-OG 3.15Å |
| 1596 | H | 44.2 | Very low | 66.8 | Low | 84 Ų | 84 | 55 Ų | 55 | 39% | 0.389 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -56.2 | -20 | 177.8 | -67.3 | -60.6 | 0 | 0 | 0 | 114.6 | Q349 S1598 E1599 | Q349-H1596 PolarHBondContact NE2-CE1 3.49Å; Q349-H1596 PolarHBondContact NE2-NE2 3.34Å; H1596-S1598 PolarHBondContact O-N 3.38Å; H1596-E1599 PolarHBondContact O-N 3.2Å |
| 1597 | A | 46.8 | Very low | 67 | Low | 60 Ų | 60 | 54 Ų | 54 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -59.1 | -12.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | D1595 S1600 | D1595-A1597 PolarHBondContact O-N 3.07Å; A1597-S1600 PolarHBondContact O-OG 3.28Å |
| 1598 | S | 50.3 | Low | 67.2 | Low | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -70.3 | -28 | 173.6 | -67.9 | 0 | 0 | 0 | 0 | 114.6 | Y1588 L1593 D1595 H1596 S1600 R1601 | Y1588-S1598 WeakPolarHBondContact CD1-O 3.47Å; Y1588-S1598 WeakPolarHBondContact CE1-O 3.35Å; L1593-S1598 PolarHBondContact N-OG 3.5Å; L1593-S1598 VanDerWaalsContact N-OG 3.17Å; L1593-S1598 PolarHBondContact O-OG 2.89Å; D1595-S1598 WeakPolarHBondContact O-CB 3.42Å; D1595-S1598 PolarHBondContact O-N 2.95Å; D1595-S1598 PolarHBondContact O-OG 3.15Å; H1596-S1598 PolarHBondContact O-N 3.38Å; S1598-S1600 VanDerWaalsContact C-N 3.3Å; S1598-S1600 PolarHBondContact O-N 3.48Å; S1598-R1601 PolarHBondContact O-N 2.78Å; S1598-R1601 PolarHBondContact OG-NH2 3.44Å |
| 1599 | E | 60.2 | Low | 67.7 | Low | 84 Ų | 84 | 54 Ų | 54 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -59.8 | -41 | 179.2 | -72.7 | -170.7 | -161.7 | 0 | 0 | 110.9 | H1596 R1601 I1602 K1843 P1848 | H1596-E1599 PolarHBondContact O-N 3.2Å; E1599-R1601 PolarHBondContact O-N 3.21Å; E1599-R1601 VanDerWaalsContact O-N 3.08Å; E1599-I1602 WeakPolarHBondContact O-CG1 3.16Å; E1599-I1602 PolarHBondContact O-N 3.11Å; E1599-K1843 IonicContact OE1-NZ 2.79Å; E1599-K1843 PolarHBondContact OE1-NZ 3.08Å; E1599-K1843 IonicContact OE2-NZ 2.66Å; E1599-K1843 PolarHBondContact OE2-NZ 3.47Å; E1599-P1848 HydrophobicContact CB-CB 4.31Å; E1599-P1848 HydrophobicContact CB-CG 4.46Å; E1599-P1848 HydrophobicContact CG-CB 4.49Å; E1599-P1848 VanDerWaalsContact OE2-CB 3.24Å; E1599-P1848 WeakPolarHBondContact OE2-CB 3.39Å |
| 1600 | S | 61.1 | Low | 68.6 | Low | 102 Ų | 102 | 49.9 Ų | 49.9 | 71% | 0.713 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -64.7 | -11.4 | 177 | 72.1 | 0 | 0 | 0 | 0 | 115.6 | A1597 S1598 | A1597-S1600 PolarHBondContact O-OG 3.28Å; S1598-S1600 VanDerWaalsContact C-N 3.3Å; S1598-S1600 PolarHBondContact O-N 3.48Å |
| 1601 | R | 71.2 | Confident | 69.9 | Low | 61 Ų | 61 | 50.4 Ų | 50.4 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -107.7 | 3.8 | -177.6 | -59.8 | -175.8 | -63 | 128.8 | -0 | 112.7 | Y1588 K1589 K1591 S1598 E1599 T1603 | Y1588-R1601 CarbonylContact C-O 3.57Å; Y1588-R1601 WeakPolarHBondContact CA-O 3.36Å; K1589-R1601 PolarHBondContact N-O 3.43Å; K1589-R1601 PolarHBondContact O-NH1 3.04Å; K1591-R1601 VanDerWaalsContact O-CZ 3.26Å; K1591-R1601 PolarHBondContact O-NH1 2.74Å; K1591-R1601 PolarHBondContact O-NH2 2.94Å; S1598-R1601 PolarHBondContact O-N 2.78Å; S1598-R1601 PolarHBondContact OG-NH2 3.44Å; E1599-R1601 PolarHBondContact O-N 3.21Å; E1599-R1601 VanDerWaalsContact O-N 3.08Å; R1601-T1603 PolarHBondContact O-N 3.27Å |
| 1602 | I | 78.3 | Confident | 71.6 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.205 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 124.2 | 174.9 | -62.9 | 173.9 | 0 | 0 | 0 | 109.1 | P1586 F1587 Y1588 E1599 F1605 | P1586-I1602 HydrophobicContact CB-CD1 4Å; P1586-I1602 HydrophobicContact CB-CG1 4.11Å; P1586-I1602 HydrophobicContact CB-CG2 4.15Å; F1587-I1602 CarbonylContact O-C 3.6Å; F1587-I1602 VanDerWaalsContact O-CA 3.29Å; F1587-I1602 WeakPolarHBondContact O-CA 3.37Å; Y1588-I1602 HydrophobicContact CD1-CG1 3.79Å; Y1588-I1602 HydrophobicContact CE1-CD1 4.12Å; Y1588-I1602 HydrophobicContact CE1-CG1 3.48Å; Y1588-I1602 VanDerWaalsContact CE1-CG1 3.48Å; E1599-I1602 WeakPolarHBondContact O-CG1 3.16Å; E1599-I1602 PolarHBondContact O-N 3.11Å; I1602-F1605 HydrophobicContact CD1-CZ 4.34Å; I1602-F1605 HydrophobicContact CG2-CD2 4.48Å; I1602-F1605 HydrophobicContact CG2-CE1 4.49Å; I1602-F1605 HydrophobicContact CG2-CE2 3.92Å; I1602-F1605 HydrophobicContact CG2-CZ 3.92Å |
| 1603 | T | 83.2 | Confident | 73.4 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -4.8 | 179.8 | 52 | 0 | 0 | 0 | 0 | 113.5 | M1175 V1176 I1248 F1587 K1589 R1601 | M1175-T1603 WeakPolarHBondContact CA-O 3.47Å; V1176-T1603 PolarHBondContact N-O 3.34Å; I1248-T1603 WeakPolarHBondContact O-CB 3.49Å; I1248-T1603 WeakPolarHBondContact O-CG2 3.29Å; I1248-T1603 PolarHBondContact O-OG1 2.86Å; I1248-T1603 VanDerWaalsContact O-OG1 3.12Å; F1587-T1603 PolarHBondContact O-N 3.04Å; F1587-T1603 PolarHBondContact O-OG1 3.1Å; K1589-T1603 HydrophobicContact CB-CG2 3.82Å; R1601-T1603 PolarHBondContact O-N 3.27Å |
| 1604 | G | 87.3 | Confident | 75 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W1173 G1174 F1587 | W1173-G1604 CarbonylContact O-C 3.56Å; W1173-G1604 WeakPolarHBondContact O-CA 3.44Å; G1174-G1604 WeakPolarHBondContact O-CA 3.21Å; F1587-G1604 PolarHBondContact N-O 3.15Å |
| 1605 | F | 89.2 | Confident | 76.7 | Confident | 52 Ų | 52 | 35 Ų | 35 | 23% | 0.228 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.5 | -179.7 | -64.3 | -95.2 | 0 | 0 | 0 | 110.9 | V1172 W1173 L1585 P1586 I1602 | V1172-F1605 CarbonylContact C-O 3.51Å; V1172-F1605 VanDerWaalsContact CA-O 3.25Å; V1172-F1605 WeakPolarHBondContact CA-O 3.44Å; W1173-F1605 HydrophobicContact CD2-CB 3.97Å; W1173-F1605 HydrophobicContact CD2-CD2 4.21Å; W1173-F1605 HydrophobicContact CD2-CG 4.36Å; W1173-F1605 AromaticContact CE2-CG 3.93Å; W1173-F1605 HydrophobicContact CE3-CD2 4.05Å; W1173-F1605 HydrophobicContact CG-CB 4.24Å; W1173-F1605 AromaticContact CH2-CD2 3.83Å; W1173-F1605 HydrophobicContact CH2-CD2 3.83Å; W1173-F1605 HydrophobicContact CH2-CE2 4.09Å; W1173-F1605 HydrophobicContact CH2-CG 4.09Å; W1173-F1605 HydrophobicContact CZ2-CB 3.95Å; W1173-F1605 HydrophobicContact CZ2-CD1 4.24Å; W1173-F1605 HydrophobicContact CZ2-CD2 4.01Å; W1173-F1605 AromaticContact CZ2-CG 3.81Å; W1173-F1605 HydrophobicContact CZ2-CG 3.81Å; W1173-F1605 AromaticContact CZ3-CD2 3.84Å; W1173-F1605 HydrophobicContact CZ3-CD2 3.84Å; W1173-F1605 HydrophobicContact CZ3-CE2 4.13Å; W1173-F1605 HydrophobicContact CZ3-CG 4.47Å; W1173-F1605 PolarHBondContact N-O 3.02Å; W1173-F1605 PolarHBondContact O-N 3.43Å; L1585-F1605 WeakPolarHBondContact O-CA 3.34Å; P1586-F1605 HydrophobicContact CB-CD1 3.88Å; P1586-F1605 HydrophobicContact CB-CE1 3.69Å; P1586-F1605 HydrophobicContact CB-CZ 4.48Å; P1586-F1605 HydrophobicContact CG-CE1 4.48Å; I1602-F1605 HydrophobicContact CD1-CZ 4.34Å; I1602-F1605 HydrophobicContact CG2-CD2 4.48Å; I1602-F1605 HydrophobicContact CG2-CE1 4.49Å; I1602-F1605 HydrophobicContact CG2-CE2 3.92Å; I1602-F1605 HydrophobicContact CG2-CZ 3.92Å |
| 1606 | F | 92.8 | Very high | 78.3 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.1 | 160.7 | 173.6 | -112.9 | 0 | 0 | 0 | 109.5 | V1167 M1168 F1169 V1172 V1188 F1234 N1584 L1585 F1587 | V1167-F1606 HydrophobicContact CG1-CZ 4.3Å; M1168-F1606 WeakPolarHBondContact O-CZ 3.43Å; F1169-F1606 HydrophobicContact CB-CE2 4.4Å; F1169-F1606 AromaticContact CD1-CE2 3.81Å; F1169-F1606 HydrophobicContact CD1-CE2 3.81Å; F1169-F1606 HydrophobicContact CD1-CZ 4.08Å; F1169-F1606 HydrophobicContact CG-CE2 4.45Å; V1172-F1606 HydrophobicContact CG1-CD2 4.26Å; V1188-F1606 HydrophobicContact CG1-CD2 4.17Å; V1188-F1606 HydrophobicContact CG1-CE2 4.31Å; V1188-F1606 HydrophobicContact CG2-CD2 4.09Å; F1234-F1606 AromaticContact CD1-CD1 3.81Å; F1234-F1606 HydrophobicContact CD1-CD1 3.81Å; F1234-F1606 AromaticContact CD1-CE1 3.83Å; F1234-F1606 HydrophobicContact CD1-CE1 3.83Å; F1234-F1606 HydrophobicContact CD1-CG 4.31Å; F1234-F1606 HydrophobicContact CD1-CZ 4.34Å; F1234-F1606 AromaticContact CE1-CD1 3.82Å; F1234-F1606 HydrophobicContact CE1-CD1 3.82Å; F1234-F1606 AromaticContact CE1-CE1 3.4Å; F1234-F1606 HydrophobicContact CE1-CE1 3.4Å; F1234-F1606 AromaticContact CE1-CZ 3.96Å; F1234-F1606 HydrophobicContact CE1-CZ 3.96Å; F1234-F1606 HydrophobicContact CZ-CE1 4.4Å; N1584-F1606 CarbonylContact C-O 3.56Å; N1584-F1606 WeakPolarHBondContact CA-O 3.26Å; L1585-F1606 HydrophobicContact CB-CB 4.35Å; L1585-F1606 HydrophobicContact CB-CD1 4.42Å; L1585-F1606 HydrophobicContact CD1-CD1 4.2Å; L1585-F1606 HydrophobicContact CG-CD1 4.44Å; L1585-F1606 PolarHBondContact N-O 3.41Å; L1585-F1606 PolarHBondContact O-N 3.11Å; F1587-F1606 HydrophobicContact CE1-CB 4.44Å; F1587-F1606 HydrophobicContact CE2-CB 3.67Å; F1587-F1606 HydrophobicContact CZ-CB 3.58Å; F1587-F1606 HydrophobicContact CZ-CG 4.43Å |
| 1607 | K | 91.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.9 | 168.4 | -174.3 | 171.9 | -66.6 | -161.8 | 0 | 108.8 | W1170 S1171 F1582 N1584 D1729 E1731 N1732 | W1170-K1607 WeakPolarHBondContact CB-O 3.42Å; W1170-K1607 PolarHBondContact N-O 2.86Å; W1170-K1607 VanDerWaalsContact N-O 3.13Å; S1171-K1607 PolarHBondContact N-O 2.57Å; S1171-K1607 PolarHBondContact O-N 3.18Å; F1582-K1607 HydrophobicContact CB-CD 4.15Å; F1582-K1607 HydrophobicContact CB-CG 3.82Å; F1582-K1607 HydrophobicContact CD1-CD 4.47Å; F1582-K1607 HydrophobicContact CD1-CG 4.12Å; F1582-K1607 HydrophobicContact CD2-CD 3.98Å; F1582-K1607 HydrophobicContact CD2-CG 4.42Å; F1582-K1607 HydrophobicContact CG-CD 3.96Å; F1582-K1607 HydrophobicContact CG-CG 3.88Å; N1584-K1607 WeakPolarHBondContact OD1-CB 3.46Å; N1584-K1607 WeakPolarHBondContact OD1-CE 3.19Å; K1607-D1729 VanDerWaalsContact CE-OD2 3.26Å; K1607-D1729 WeakPolarHBondContact CE-OD2 3.39Å; K1607-D1729 IonicContact NZ-OD1 3.9Å; K1607-D1729 PolarHBondContact NZ-OD1 2.97Å; K1607-D1729 IonicContact NZ-OD2 3.61Å; K1607-D1729 PolarHBondContact NZ-OD2 2.89Å; K1607-E1731 VanDerWaalsContact CD-OE2 3.3Å; K1607-E1731 WeakPolarHBondContact CD-OE2 3.09Å; K1607-E1731 WeakPolarHBondContact CE-OE2 3.29Å; K1607-E1731 IonicContact NZ-OE2 2.65Å; K1607-E1731 PolarHBondContact NZ-OE2 2.94Å; K1607-N1732 WeakPolarHBondContact CE-OD1 3.31Å; K1607-N1732 PolarHBondContact NZ-OD1 3.44Å |
| 1608 | G | 92 | Very high | 80.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | -159.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1168 F1582 L1583 | M1168-G1608 CarbonylContact O-C 3.58Å; M1168-G1608 WeakPolarHBondContact O-CA 3.29Å; F1582-G1608 CarbonylContact C-O 3.55Å; F1582-G1608 WeakPolarHBondContact CA-O 3.42Å; L1583-G1608 PolarHBondContact N-O 3.14Å; L1583-G1608 PolarHBondContact O-N 2.65Å; L1583-G1608 VanDerWaalsContact O-N 3.07Å |
| 1609 | N | 90.9 | Very high | 82.1 | Confident | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 169 | 171.3 | -151.4 | -24.3 | 0 | 0 | 0 | 110.6 | M1168 P1581 L1630 | M1168-N1609 HydrophobicContact CB-CB 4.28Å; M1168-N1609 HydrophobicContact CE-CB 3.86Å; M1168-N1609 PolarHBondContact N-O 2.77Å; M1168-N1609 PolarHBondContact O-N 3.04Å; P1581-N1609 WeakPolarHBondContact O-CB 3.3Å; P1581-N1609 PolarHBondContact O-ND2 3.32Å; N1609-L1630 HydrophobicContact CB-CD2 4.11Å |
| 1610 | L | 91.8 | Very high | 82.8 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 137.7 | -173.6 | 168.6 | 67.6 | 0 | 0 | 0 | 110.8 | M1165 E1166 V1167 L1232 Y1259 I1612 | M1165-L1610 HydrophobicContact CG-CD1 3.44Å; M1165-L1610 VanDerWaalsContact CG-CD1 3.44Å; M1165-L1610 HydrophobicContact SD-CD1 3.92Å; E1166-L1610 WeakPolarHBondContact O-CA 3.31Å; E1166-L1610 WeakPolarHBondContact O-CD1 3.42Å; V1167-L1610 HydrophobicContact CG2-CD1 3.99Å; L1232-L1610 HydrophobicContact CD2-CD2 3.2Å; Y1259-L1610 HydrophobicContact CD1-CB 3.86Å; Y1259-L1610 HydrophobicContact CD1-CD2 3.65Å; Y1259-L1610 HydrophobicContact CD1-CG 3.84Å; Y1259-L1610 HydrophobicContact CD2-CD2 3.97Å; Y1259-L1610 HydrophobicContact CE1-CB 4.33Å; Y1259-L1610 HydrophobicContact CE1-CD2 4.15Å; Y1259-L1610 HydrophobicContact CE2-CD2 4.48Å; Y1259-L1610 HydrophobicContact CG-CB 4.49Å; Y1259-L1610 HydrophobicContact CG-CD2 3.55Å; Y1259-L1610 HydrophobicContact CG-CG 3.97Å; L1610-I1612 HydrophobicContact CD1-CG1 4.29Å |
| 1611 | V | 90.1 | Very high | 83.4 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.7 | 159.5 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | M1165 E1166 V1261 Y1613 K1629 L1630 | M1165-V1611 WeakPolarHBondContact CA-O 3.22Å; E1166-V1611 HydrophobicContact CB-CG2 3.93Å; E1166-V1611 HydrophobicContact CG-CG2 4.11Å; E1166-V1611 PolarHBondContact N-O 3.44Å; E1166-V1611 PolarHBondContact O-N 2.79Å; E1166-V1611 VanDerWaalsContact O-N 3.1Å; V1261-V1611 HydrophobicContact CG2-CB 3.97Å; V1261-V1611 HydrophobicContact CG2-CG1 3.8Å; V1611-Y1613 HydrophobicContact CG2-CD1 4.34Å; V1611-K1629 HydrophobicContact CG2-CB 4.43Å; V1611-L1630 HydrophobicContact CG1-CD2 4.07Å; V1611-L1630 HydrophobicContact CG1-CG 4.4Å; V1611-L1630 HydrophobicContact CG2-CD1 4.4Å; V1611-L1630 HydrophobicContact CG2-CG 4.03Å |
| 1612 | I | 90.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 136.2 | 168.5 | -62.1 | 171 | 0 | 0 | 0 | 107.2 | F1163 R1164 M1165 I1192 W1229 A1256 Y1259 L1260 V1261 L1610 | F1163-I1612 HydrophobicContact CB-CG2 4.01Å; F1163-I1612 HydrophobicContact CD1-CG2 4.11Å; F1163-I1612 HydrophobicContact CG-CG2 4.35Å; R1164-I1612 CarbonylContact O-C 3.57Å; R1164-I1612 WeakPolarHBondContact O-CA 3.39Å; M1165-I1612 HydrophobicContact CB-CG1 4.26Å; M1165-I1612 HydrophobicContact CG-CG1 3.85Å; M1165-I1612 HydrophobicContact SD-CD1 4.36Å; M1165-I1612 HydrophobicContact SD-CG1 4.32Å; I1192-I1612 HydrophobicContact CD1-CD1 4.41Å; W1229-I1612 HydrophobicContact CH2-CG2 3.9Å; W1229-I1612 HydrophobicContact CZ3-CD1 4.23Å; W1229-I1612 HydrophobicContact CZ3-CG2 4.18Å; A1256-I1612 HydrophobicContact CB-CD1 4.16Å; Y1259-I1612 PolarHBondContact O-N 3.46Å; L1260-I1612 CarbonylContact C-O 3.54Å; L1260-I1612 WeakPolarHBondContact CA-O 3.36Å; L1260-I1612 HydrophobicContact CD1-CG2 4.38Å; V1261-I1612 PolarHBondContact N-O 2.74Å; L1610-I1612 HydrophobicContact CD1-CG1 4.29Å |
| 1613 | Y | 88.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 45 Ų | 45 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 149.2 | 173.9 | 63.5 | -89.3 | 0 | 0 | 0 | 112.4 | F1163 R1164 E1166 V1261 V1611 V1615 K1629 | F1163-Y1613 CarbonylContact C-O 3.58Å; F1163-Y1613 VanDerWaalsContact CA-O 3.27Å; F1163-Y1613 WeakPolarHBondContact CA-O 3.22Å; R1164-Y1613 HydrophobicContact CB-CD1 4.49Å; R1164-Y1613 HydrophobicContact CB-CE1 4.1Å; R1164-Y1613 HydrophobicContact CB-CE2 4.22Å; R1164-Y1613 WeakPolarHBondContact CD-OH 2.89Å; R1164-Y1613 HydrophobicContact CG-CE1 4.16Å; R1164-Y1613 PolarHBondContact N-O 2.86Å; R1164-Y1613 PolarHBondContact O-N 2.87Å; E1166-Y1613 HydrophobicContact CG-CE1 4.24Å; E1166-Y1613 WeakPolarHBondContact OE1-CE1 3.44Å; E1166-Y1613 PolarHBondContact OE1-OH 3.24Å; V1261-Y1613 WeakPolarHBondContact O-CB 3.3Å; V1611-Y1613 HydrophobicContact CG2-CD1 4.34Å; Y1613-V1615 HydrophobicContact CD2-CG2 3.71Å; Y1613-V1615 HydrophobicContact CE2-CG2 3.46Å; Y1613-V1615 VanDerWaalsContact CE2-CG2 3.46Å; Y1613-K1629 HydrophobicContact CD1-CD 3.78Å; Y1613-K1629 HydrophobicContact CE1-CD 3.53Å; Y1613-K1629 HydrophobicContact CE1-CG 4.04Å; Y1613-K1629 HydrophobicContact CE2-CD 4.29Å; Y1613-K1629 HydrophobicContact CG-CD 4.25Å; Y1613-K1629 VanDerWaalsContact CG-NZ 3.33Å; Y1613-K1629 VanDerWaalsContact CZ-CE 3.46Å |
| 1614 | P | 85.4 | Confident | 83.3 | Confident | 49 Ų | 49 | 50 Ų | 50 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 142.4 | 178.2 | 28.6 | -34.8 | 0 | 0 | 0 | 110.8 | F1163 | F1163-P1614 HydrophobicContact CD1-CB 4.05Å; F1163-P1614 HydrophobicContact CE1-CB 3.85Å |
| 1615 | V | 81.7 | Confident | 82.9 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | trans | -132.9 | 146.9 | -178.5 | 163.2 | 0 | 0 | 0 | 0 | 109.8 | R1162 R1164 Y1613 E1619 | R1162-V1615 HydrophobicContact CG-CG1 4.49Å; R1162-V1615 PolarHBondContact O-N 3.32Å; R1164-V1615 HydrophobicContact CB-CG2 3.62Å; Y1613-V1615 HydrophobicContact CD2-CG2 3.71Å; Y1613-V1615 HydrophobicContact CE2-CG2 3.46Å; Y1613-V1615 VanDerWaalsContact CE2-CG2 3.46Å; V1615-E1619 HydrophobicContact CG1-CB 3.8Å; V1615-E1619 HydrophobicContact CG1-CG 4.29Å | ||
| 1616 | N | 77.8 | Confident | 82.4 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 65% | 0.652 | 30% | 0.301 | S | S | * | . | trans | -74.2 | 144.6 | 179.5 | -67.4 | -62.2 | 0 | 0 | 0 | 111.4 | R1162 D1618 E1619 | R1162-N1616 PolarHBondContact NH1-O 3.15Å; N1616-D1618 PolarHBondContact O-N 3.27Å; N1616-E1619 HydrophobicContact CB-CB 4.43Å; N1616-E1619 WeakPolarHBondContact O-CB 3.19Å; N1616-E1619 PolarHBondContact O-N 2.96Å | ||
| 1617 | D | 69.7 | Low | 82 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.6 | -178.9 | -82.1 | -49.8 | 0 | 0 | 0 | 113.5 | K1133 R1162 Y1221 | K1133-D1617 VanDerWaalsContact CE-CG 3.47Å; K1133-D1617 WeakPolarHBondContact CE-OD1 3.37Å; K1133-D1617 VanDerWaalsContact CE-OD2 3.26Å; K1133-D1617 WeakPolarHBondContact CE-OD2 3.26Å; K1133-D1617 IonicContact NZ-OD1 2.87Å; K1133-D1617 PolarHBondContact NZ-OD1 3.36Å; K1133-D1617 IonicContact NZ-OD2 2.72Å; K1133-D1617 PolarHBondContact NZ-OD2 2.88Å; R1162-D1617 PolarHBondContact NH1-O 2.82Å; Y1221-D1617 WeakPolarHBondContact CE1-OD1 3.45Å; Y1221-D1617 PolarHBondContact OH-OD1 3.12Å |
| 1618 | D | 74.8 | Confident | 81.7 | Confident | 142 Ų | 142 | 59.3 Ų | 59.3 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.6 | 176.8 | -76.4 | -42.7 | 0 | 0 | 0 | 114 | R1128 N1616 | R1128-D1618 IonicContact NH1-OD1 2.9Å; N1616-D1618 PolarHBondContact O-N 3.27Å |
| 1619 | E | 75.5 | Confident | 81.4 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 134.4 | -177 | -162.3 | -174.5 | 121.3 | 0 | 0 | 111.2 | R1162 R1164 V1615 N1616 | R1162-E1619 PolarHBondContact NH1-O 3.1Å; R1162-E1619 PolarHBondContact NH2-O 2.82Å; R1164-E1619 IonicContact CZ-OE1 3.7Å; R1164-E1619 IonicContact NH1-OE1 3.72Å; R1164-E1619 PolarHBondContact NH1-OE1 3.27Å; R1164-E1619 IonicContact NH2-OE1 2.78Å; V1615-E1619 HydrophobicContact CG1-CB 3.8Å; V1615-E1619 HydrophobicContact CG1-CG 4.29Å; N1616-E1619 HydrophobicContact CB-CB 4.43Å; N1616-E1619 WeakPolarHBondContact O-CB 3.19Å; N1616-E1619 PolarHBondContact O-N 2.96Å |
| 1620 | P | 76.6 | Confident | 81.1 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -70 | 166.9 | 175.1 | 29.6 | -35.4 | 0 | 0 | 0 | 112.1 | R1164 | R1164-P1620 PolarHBondContact NH2-O 3.41Š|
| 1621 | L | 72.5 | Confident | 80.8 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -73 | 141.2 | 160.2 | -87.1 | 161.5 | 0 | 0 | 0 | 109 | D1219 T1623 | D1219-L1621 HydrophobicContact CB-CD2 4.41Å; D1219-L1621 WeakPolarHBondContact OD1-CD2 3.3Å; L1621-T1623 PolarHBondContact O-N 3.44Å |
| 1622 | P | 78.2 | Confident | 80.2 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 124.3 | -177.2 | -18.3 | 34 | 0 | 0 | 0 | 111.3 | E1624 Q1627 L1628 | P1622-E1624 VanDerWaalsContact C-N 3.31Å; P1622-E1624 PolarHBondContact O-N 2.88Å; P1622-Q1627 HydrophobicContact CB-CB 3.81Å; P1622-L1628 HydrophobicContact CB-CD2 4.22Å; P1622-L1628 HydrophobicContact CG-CD2 3.86Å |
| 1623 | T | 75.2 | Confident | 79.5 | Confident | 138 Ų | 138 | 75.7 Ų | 75.7 | 85% | 0.847 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -72.3 | -26.3 | -177.9 | -40.8 | 0 | 0 | 0 | 0 | 112.6 | L1621 | L1621-T1623 PolarHBondContact O-N 3.44Š|
| 1624 | E | 78.2 | Confident | 79.2 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -115.3 | 140.5 | 180 | -64.3 | 178.2 | -159.6 | 0 | 0 | 111.3 | P1622 S1626 Q1627 | P1622-E1624 VanDerWaalsContact C-N 3.31Å; P1622-E1624 PolarHBondContact O-N 2.88Å; E1624-S1626 WeakPolarHBondContact CB-OG 3.35Å; E1624-S1626 PolarHBondContact O-N 2.91Å; E1624-S1626 VanDerWaalsContact O-N 3.15Å; E1624-S1626 PolarHBondContact OE2-OG 3.07Å; E1624-Q1627 HydrophobicContact CB-CG 4.32Å; E1624-Q1627 WeakPolarHBondContact O-CB 3.5Å; E1624-Q1627 PolarHBondContact O-N 3.15Å |
| 1625 | M | 77.3 | Confident | 78.9 | Confident | 92 Ų | 92 | 75.7 Ų | 75.7 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -58.9 | -26.1 | 171.5 | -68.3 | -172 | -71.5 | 0 | 0 | 112.8 | Q1627 L1628 Y1631 | M1625-Q1627 PolarHBondContact O-N 2.83Å; M1625-Q1627 VanDerWaalsContact O-N 3.11Å; M1625-L1628 WeakPolarHBondContact O-CB 3.3Å; M1625-L1628 PolarHBondContact O-N 2.86Å; M1625-L1628 VanDerWaalsContact O-N 3.15Å; M1625-Y1631 HydrophobicContact CB-CD2 4.15Å; M1625-Y1631 HydrophobicContact CB-CE2 4.47Å; M1625-Y1631 WeakPolarHBondContact O-CB 3.24Å; M1625-Y1631 VanDerWaalsContact O-CG 3.31Å |
| 1626 | S | 80 | Confident | 78.5 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -54.8 | -26.9 | 177 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | E1624 | E1624-S1626 WeakPolarHBondContact CB-OG 3.35Å; E1624-S1626 PolarHBondContact O-N 2.91Å; E1624-S1626 VanDerWaalsContact O-N 3.15Å; E1624-S1626 PolarHBondContact OE2-OG 3.07Å |
| 1627 | Q | 83.9 | Confident | 78.5 | Confident | 100 Ų | 100 | 80.5 Ų | 80.5 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -87.5 | -16 | -174.4 | -62.7 | 168.5 | 16.2 | 0 | 0 | 112.6 | P1622 E1624 M1625 | P1622-Q1627 HydrophobicContact CB-CB 3.81Å; E1624-Q1627 HydrophobicContact CB-CG 4.32Å; E1624-Q1627 WeakPolarHBondContact O-CB 3.5Å; E1624-Q1627 PolarHBondContact O-N 3.15Å; M1625-Q1627 PolarHBondContact O-N 2.83Å; M1625-Q1627 VanDerWaalsContact O-N 3.11Å |
| 1628 | L | 86.4 | Confident | 78.8 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 5% | 0.052 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -74.3 | 150.9 | -178 | -62.5 | 175.2 | 0 | 0 | 0 | 112.1 | E1166 L1215 A1217 P1622 M1625 Y1631 | E1166-L1628 HydrophobicContact CG-CD2 4.18Å; E1166-L1628 WeakPolarHBondContact OE1-CA 3.22Å; E1166-L1628 WeakPolarHBondContact OE1-CD2 3.32Å; L1215-L1628 HydrophobicContact CD1-CD1 4.39Å; L1215-L1628 HydrophobicContact CD2-CB 3.93Å; L1215-L1628 HydrophobicContact CD2-CD1 3.71Å; L1215-L1628 HydrophobicContact CD2-CG 4.47Å; L1215-L1628 HydrophobicContact CG-CD1 3.73Å; A1217-L1628 HydrophobicContact CB-CD1 4.25Å; A1217-L1628 HydrophobicContact CB-CD2 3.8Å; P1622-L1628 HydrophobicContact CB-CD2 4.22Å; P1622-L1628 HydrophobicContact CG-CD2 3.86Å; M1625-L1628 WeakPolarHBondContact O-CB 3.3Å; M1625-L1628 PolarHBondContact O-N 2.86Å; M1625-L1628 VanDerWaalsContact O-N 3.15Å; L1628-Y1631 WeakPolarHBondContact O-CB 3.29Å |
| 1629 | K | 84.3 | Confident | 79.1 | Confident | 54 Ų | 54 | 78 Ų | 78 | 24% | 0.235 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -42.1 | -176.5 | -65.4 | -174.3 | -179.5 | 172 | 0 | 112 | E1166 E1263 V1611 Y1613 Y1631 K1632 | E1166-K1629 VanDerWaalsContact CD-N 3.28Å; E1166-K1629 PolarHBondContact OE1-N 3.02Å; E1166-K1629 PolarHBondContact OE2-N 3.27Å; E1263-K1629 VanDerWaalsContact OE1-CE 3.31Å; E1263-K1629 WeakPolarHBondContact OE1-CE 3.48Å; E1263-K1629 IonicContact OE1-NZ 3.26Å; E1263-K1629 PolarHBondContact OE1-NZ 2.85Å; V1611-K1629 HydrophobicContact CG2-CB 4.43Å; Y1613-K1629 HydrophobicContact CD1-CD 3.78Å; Y1613-K1629 HydrophobicContact CE1-CD 3.53Å; Y1613-K1629 HydrophobicContact CE1-CG 4.04Å; Y1613-K1629 HydrophobicContact CE2-CD 4.29Å; Y1613-K1629 HydrophobicContact CG-CD 4.25Å; Y1613-K1629 VanDerWaalsContact CG-NZ 3.33Å; Y1613-K1629 VanDerWaalsContact CZ-CE 3.46Å; K1629-Y1631 VanDerWaalsContact C-N 3.31Å; K1629-Y1631 PolarHBondContact O-N 2.59Å; K1629-K1632 PolarHBondContact O-N 3.38Å |
| 1630 | L | 85.5 | Confident | 79.6 | Confident | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -67.2 | -26.8 | 177 | -75.6 | 176.7 | 0 | 0 | 0 | 113.4 | E1166 M1168 L1215 N1609 V1611 K1632 T1633 M1634 | E1166-L1630 HydrophobicContact CB-CD1 3.81Å; E1166-L1630 HydrophobicContact CB-CG 4.29Å; E1166-L1630 WeakPolarHBondContact O-CD1 3.36Å; E1166-L1630 PolarHBondContact OE2-N 2.88Å; M1168-L1630 HydrophobicContact CB-CD1 4.1Å; L1215-L1630 HydrophobicContact CD1-CB 3.84Å; L1215-L1630 HydrophobicContact CD1-CD1 4.05Å; L1215-L1630 HydrophobicContact CD2-CB 4.31Å; N1609-L1630 HydrophobicContact CB-CD2 4.11Å; V1611-L1630 HydrophobicContact CG1-CD2 4.07Å; V1611-L1630 HydrophobicContact CG1-CG 4.4Å; V1611-L1630 HydrophobicContact CG2-CD1 4.4Å; V1611-L1630 HydrophobicContact CG2-CG 4.03Å; L1630-K1632 PolarHBondContact O-N 3.13Å; L1630-T1633 WeakPolarHBondContact O-CA 3.4Å; L1630-T1633 PolarHBondContact O-N 3.13Å; L1630-T1633 PolarHBondContact O-OG1 3.15Å; L1630-M1634 PolarHBondContact O-N 2.96Å |
| 1631 | Y | 84.9 | Confident | 80.3 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -55.6 | -37 | 177.9 | -177 | -96.5 | 0 | 0 | 0 | 111.9 | M1625 L1628 K1629 T1633 M1634 | M1625-Y1631 HydrophobicContact CB-CD2 4.15Å; M1625-Y1631 HydrophobicContact CB-CE2 4.47Å; M1625-Y1631 WeakPolarHBondContact O-CB 3.24Å; M1625-Y1631 VanDerWaalsContact O-CG 3.31Å; L1628-Y1631 WeakPolarHBondContact O-CB 3.29Å; K1629-Y1631 VanDerWaalsContact C-N 3.31Å; K1629-Y1631 PolarHBondContact O-N 2.59Å; Y1631-T1633 PolarHBondContact O-N 2.87Å; Y1631-T1633 VanDerWaalsContact O-N 3.13Å; Y1631-M1634 PolarHBondContact O-N 2.87Å |
| 1632 | K | 77.6 | Confident | 81.2 | Confident | 167 Ų | 167 | 71.7 Ų | 71.7 | 73% | 0.726 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -68 | -8.1 | 177.3 | -59 | 174 | -174.3 | 172.6 | 0 | 114 | K1629 L1630 | K1629-K1632 PolarHBondContact O-N 3.38Å; L1630-K1632 PolarHBondContact O-N 3.13Å |
| 1633 | T | 76.4 | Confident | 81.9 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -111.5 | -10.9 | 177.1 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | P1581 L1630 Y1631 | P1581-T1633 WeakPolarHBondContact CB-O 3.23Å; L1630-T1633 WeakPolarHBondContact O-CA 3.4Å; L1630-T1633 PolarHBondContact O-N 3.13Å; L1630-T1633 PolarHBondContact O-OG1 3.15Å; Y1631-T1633 PolarHBondContact O-N 2.87Å; Y1631-T1633 VanDerWaalsContact O-N 3.13Å |
| 1634 | M | 81.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -68.4 | 141.2 | -175.7 | -168.7 | -177.6 | -65.2 | 0 | 0 | 111.8 | M1168 W1170 P1214 L1215 L1630 Y1631 | M1168-M1634 HydrophobicContact CG-CE 4.44Å; M1168-M1634 HydrophobicContact SD-CB 4.48Å; M1168-M1634 HydrophobicContact SD-CE 4.41Å; M1168-M1634 HydrophobicContact SD-CG 4.25Å; W1170-M1634 HydrophobicContact CZ3-CG 4.16Å; P1214-M1634 HydrophobicContact CB-CE 4.45Å; P1214-M1634 HydrophobicContact CG-CE 4.03Å; P1214-M1634 HydrophobicContact CG-SD 4.01Å; L1215-M1634 HydrophobicContact CB-CE 3.53Å; L1215-M1634 HydrophobicContact CD2-CE 4.07Å; L1215-M1634 HydrophobicContact CG-CE 4.42Å; L1630-M1634 PolarHBondContact O-N 2.96Å; Y1631-M1634 PolarHBondContact O-N 2.87Å |
| 1635 | P | 79.9 | Confident | 83.5 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 16% | 0.156 | 29% | 0.293 | C | S | . | . | trans | -61.6 | 140.9 | 171.2 | -25.1 | 36 | 0 | 0 | 0 | 113.7 | W1170 P1581 F1582 K1637 H1735 | W1170-P1635 HydrophobicContact CH2-CB 3.96Å; W1170-P1635 HydrophobicContact CH2-CG 3.93Å; W1170-P1635 HydrophobicContact CZ2-CG 4.35Å; W1170-P1635 HydrophobicContact CZ3-CG 4.29Å; P1581-P1635 HydrophobicContact CG-CG 4.12Å; F1582-P1635 HydrophobicContact CE1-CG 4.46Å; F1582-P1635 HydrophobicContact CE2-CG 4.46Å; F1582-P1635 HydrophobicContact CZ-CG 3.77Å; P1635-K1637 WeakPolarHBondContact CB-O 3.4Å; P1635-H1735 WeakPolarHBondContact CB-ND1 3.41Å; P1635-H1735 WeakPolarHBondContact CG-ND1 3.38Å | ||
| 1636 | T | 73.6 | Confident | 84.4 | Confident | 153 Ų | 153 | 54.4 Ų | 54.4 | 94% | 0.939 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -81.1 | -28.8 | -177 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1637 | K | 77.3 | Confident | 85.1 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | trans | -108 | 146.4 | 161.5 | -81.5 | -175.1 | -174.6 | 178.4 | 0 | 107.6 | P1635 F1640 E1863 E1865 | P1635-K1637 WeakPolarHBondContact CB-O 3.4Å; K1637-F1640 HydrophobicContact CB-CD2 4.34Å; K1637-F1640 HydrophobicContact CB-CE1 4.19Å; K1637-F1640 HydrophobicContact CB-CE2 3.52Å; K1637-F1640 HydrophobicContact CB-CZ 3.45Å; K1637-F1640 VanDerWaalsContact CB-CZ 3.45Å; K1637-F1640 HydrophobicContact CD-CD1 4.25Å; K1637-F1640 HydrophobicContact CD-CE1 3.75Å; K1637-F1640 HydrophobicContact CD-CE2 4.48Å; K1637-F1640 HydrophobicContact CD-CZ 3.9Å; K1637-F1640 HydrophobicContact CG-CZ 4.25Å; K1637-F1640 WeakPolarHBondContact O-CE2 3.3Å; K1637-E1863 IonicContact NZ-OE1 3.79Å; K1637-E1863 PolarHBondContact NZ-OE1 2.87Å; K1637-E1865 IonicContact NZ-OE2 3.72Å; K1637-E1865 PolarHBondContact NZ-OE2 3.49Å | ||
| 1638 | A | 74.6 | Confident | 85.7 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -111 | -1.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | W1170 L1210 | W1170-A1638 HydrophobicContact CH2-CB 3.58Å; W1170-A1638 HydrophobicContact CZ2-CB 3.99Å; W1170-A1638 HydrophobicContact CZ3-CB 4.44Å; L1210-A1638 HydrophobicContact CD1-CB 4.07Å |
| 1639 | K | 82.8 | Confident | 86 | Confident | 126 Ų | 126 | 46.9 Ų | 46.9 | 55% | 0.548 | 23% | 0.231 | S | C | . | . | trans | -133.7 | 132.9 | 177.4 | -65.6 | -178.9 | -178.3 | 177.8 | 0 | 108.8 | M1208 L1701 | M1208-K1639 VanDerWaalsContact SD-CE 3.54Å; M1208-K1639 PolarHBondContact SD-NZ 3.37Å; K1639-L1701 WeakPolarHBondContact CA-O 3.3Å | ||
| 1640 | F | 85.7 | Confident | 86.4 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.2 | -179.8 | -73 | -92.5 | 0 | 0 | 0 | 110.8 | K1637 L1642 H1700 L1701 F1734 H1735 E1863 | K1637-F1640 HydrophobicContact CB-CD2 4.34Å; K1637-F1640 HydrophobicContact CB-CE1 4.19Å; K1637-F1640 HydrophobicContact CB-CE2 3.52Å; K1637-F1640 HydrophobicContact CB-CZ 3.45Å; K1637-F1640 VanDerWaalsContact CB-CZ 3.45Å; K1637-F1640 HydrophobicContact CD-CD1 4.25Å; K1637-F1640 HydrophobicContact CD-CE1 3.75Å; K1637-F1640 HydrophobicContact CD-CE2 4.48Å; K1637-F1640 HydrophobicContact CD-CZ 3.9Å; K1637-F1640 HydrophobicContact CG-CZ 4.25Å; K1637-F1640 WeakPolarHBondContact O-CE2 3.3Å; F1640-L1642 HydrophobicContact CB-CD2 4.01Å; F1640-L1642 HydrophobicContact CB-CG 4.31Å; F1640-H1700 CarbonylContact O-C 3.56Å; F1640-H1700 WeakPolarHBondContact O-CA 3.33Å; F1640-L1701 HydrophobicContact CB-CB 4.35Å; F1640-L1701 PolarHBondContact N-O 3.45Å; F1640-L1701 PolarHBondContact O-N 3.42Å; F1640-F1734 HydrophobicContact CB-CE1 4.44Å; F1640-F1734 AromaticContact CD1-CE1 3.69Å; F1640-F1734 HydrophobicContact CD1-CE1 3.69Å; F1640-F1734 AromaticContact CD1-CZ 3.66Å; F1640-F1734 HydrophobicContact CD1-CZ 3.66Å; F1640-F1734 AromaticContact CD2-CE1 3.8Å; F1640-F1734 HydrophobicContact CD2-CE1 3.8Å; F1640-F1734 AromaticContact CE1-CE1 3.7Å; F1640-F1734 HydrophobicContact CE1-CE1 3.7Å; F1640-F1734 AromaticContact CE1-CZ 3.74Å; F1640-F1734 HydrophobicContact CE1-CZ 3.74Å; F1640-F1734 AromaticContact CE2-CE1 3.84Å; F1640-F1734 HydrophobicContact CE2-CE1 3.84Å; F1640-F1734 AromaticContact CG-CE1 3.72Å; F1640-F1734 HydrophobicContact CG-CE1 3.72Å; F1640-F1734 HydrophobicContact CG-CZ 4.09Å; F1640-F1734 AromaticContact CZ-CE1 3.76Å; F1640-F1734 HydrophobicContact CZ-CE1 3.76Å; F1640-F1734 HydrophobicContact CZ-CZ 4.24Å; F1640-H1735 AromaticContact CE2-CE1 3.59Å; F1640-H1735 AromaticContact CE2-NE2 3.99Å; F1640-E1863 VanDerWaalsContact CD1-CD 3.47Å; F1640-E1863 HydrophobicContact CD1-CG 4.05Å; F1640-E1863 WeakPolarHBondContact CD1-OE1 3.34Å; F1640-E1863 WeakPolarHBondContact CE1-OE1 3.29Å; F1640-E1863 WeakPolarHBondContact CE1-OE2 3.23Å |
| 1641 | K | 90.4 | Very high | 86.7 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106.1 | 169.9 | -172.2 | 167.1 | -176 | 147.9 | 0 | 109.6 | V1698 H1700 R1864 | K1641-V1698 HydrophobicContact CG-CG1 4.26Å; K1641-H1700 VanDerWaalsContact CE-NE2 3.26Å; K1641-H1700 WeakPolarHBondContact CE-NE2 3.46Å; K1641-H1700 PolarHBondContact NZ-NE2 3.28Å; K1641-H1700 VanDerWaalsContact NZ-NE2 3.11Å; K1641-R1864 WeakPolarHBondContact O-CB 3.45Å; K1641-R1864 PolarHBondContact O-N 3.04Å |
| 1642 | L | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.9 | -175.4 | -54.3 | -173.2 | 0 | 0 | 0 | 111.7 | F1640 V1644 V1698 A1699 L1701 F1734 F1862 E1863 | F1640-L1642 HydrophobicContact CB-CD2 4.01Å; F1640-L1642 HydrophobicContact CB-CG 4.31Å; L1642-V1644 HydrophobicContact CB-CG2 4.13Å; L1642-V1698 CarbonylContact O-C 3.32Å; L1642-V1698 WeakPolarHBondContact O-CA 3.37Å; L1642-A1699 PolarHBondContact N-O 3.34Å; L1642-A1699 PolarHBondContact O-N 2.92Å; L1642-L1701 HydrophobicContact CD1-CD1 3.57Å; L1642-L1701 HydrophobicContact CD1-CG 3.99Å; L1642-L1701 HydrophobicContact CG-CD1 4.37Å; L1642-L1701 HydrophobicContact CG-CG 4.43Å; L1642-F1734 HydrophobicContact CD1-CB 4.31Å; L1642-F1734 HydrophobicContact CD1-CD1 4.44Å; L1642-F1734 HydrophobicContact CD1-CD2 3.61Å; L1642-F1734 HydrophobicContact CD1-CE2 4.03Å; L1642-F1734 HydrophobicContact CD1-CG 3.86Å; L1642-F1734 HydrophobicContact CD2-CD2 4.04Å; L1642-F1734 HydrophobicContact CD2-CE2 3.54Å; L1642-F1734 HydrophobicContact CD2-CZ 3.82Å; L1642-F1734 HydrophobicContact CG-CE2 4.46Å; L1642-F1862 CarbonylContact C-O 3.52Å; L1642-F1862 VanDerWaalsContact CA-O 3.28Å; L1642-F1862 WeakPolarHBondContact CA-O 2.96Å; L1642-E1863 HydrophobicContact CD2-CB 4.09Å |
| 1643 | T | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.1 | 150.7 | -60.2 | 0 | 0 | 0 | 0 | 107.6 | R1645 E1696 F1697 M1861 F1862 R1864 P1869 | T1643-R1645 HydrophobicContact CG2-CG 4.31Å; T1643-E1696 HydrophobicContact CG2-CG 3.46Å; T1643-E1696 VanDerWaalsContact CG2-CG 3.46Å; T1643-E1696 WeakPolarHBondContact CG2-OE1 3.43Å; T1643-F1697 WeakPolarHBondContact CA-O 3.31Å; T1643-M1861 WeakPolarHBondContact O-CA 3.38Å; T1643-F1862 HydrophobicContact CG2-CD2 4.47Å; T1643-F1862 PolarHBondContact N-O 2.78Å; T1643-F1862 PolarHBondContact O-N 2.88Å; T1643-R1864 WeakPolarHBondContact OG1-CG 3.46Å; T1643-R1864 VanDerWaalsContact OG1-CZ 3.29Å; T1643-R1864 PolarHBondContact OG1-NE 2.65Å; T1643-R1864 PolarHBondContact OG1-NH2 3.28Å; T1643-P1869 HydrophobicContact CG2-CG 4.2Å; T1643-P1869 WeakPolarHBondContact OG1-CG 3.43Å |
| 1644 | V | 93.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.9 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | L1642 L1671 E1696 F1697 A1699 I1730 I1859 M1861 | L1642-V1644 HydrophobicContact CB-CG2 4.13Å; V1644-L1671 HydrophobicContact CB-CD2 4.01Å; V1644-L1671 HydrophobicContact CG1-CD2 4.11Å; V1644-L1671 HydrophobicContact CG2-CD2 4.08Å; V1644-E1696 WeakPolarHBondContact O-CA 3.38Å; V1644-F1697 HydrophobicContact CB-CB 4.47Å; V1644-F1697 PolarHBondContact N-O 2.99Å; V1644-F1697 PolarHBondContact O-N 3.46Å; V1644-A1699 HydrophobicContact CG2-CB 3.77Å; V1644-I1730 HydrophobicContact CG1-CD1 4.12Å; V1644-I1730 HydrophobicContact CG2-CG2 3.98Å; V1644-I1859 HydrophobicContact CG1-CG2 3.69Å; V1644-M1861 HydrophobicContact CG1-CG 4.28Å; V1644-M1861 HydrophobicContact CG2-CG 4.29Å |
| 1645 | R | 94.2 | Very high | 87.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.057 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.6 | 175.3 | -70.4 | -174.6 | -177.8 | 146.8 | 0.9 | 110.3 | T1643 Y1647 Y1695 E1696 I1859 D1860 P1870 | T1643-R1645 HydrophobicContact CG2-CG 4.31Å; R1645-Y1647 HydrophobicContact CB-CD2 4.23Å; R1645-Y1647 HydrophobicContact CB-CE2 3.65Å; R1645-Y1695 WeakPolarHBondContact CA-O 3.34Å; R1645-E1696 HydrophobicContact CG-CB 4.19Å; R1645-E1696 HydrophobicContact CG-CG 4.02Å; R1645-E1696 IonicContact CZ-OE2 3.04Å; R1645-E1696 VanDerWaalsContact CZ-OE2 3.25Å; R1645-E1696 IonicContact NE-OE2 2.68Å; R1645-E1696 PolarHBondContact NE-OE2 2.93Å; R1645-E1696 IonicContact NH2-OE2 3.13Å; R1645-E1696 PolarHBondContact NH2-OE2 2.93Å; R1645-I1859 VanDerWaalsContact O-CA 3.26Å; R1645-I1859 WeakPolarHBondContact O-CA 3.19Å; R1645-D1860 PolarHBondContact N-O 2.98Å; R1645-D1860 PolarHBondContact O-N 2.77Å; R1645-P1870 VanDerWaalsContact CZ-O 3.3Å; R1645-P1870 PolarHBondContact NH1-O 2.8Å; R1645-P1870 PolarHBondContact NH2-O 3.48Å |
| 1646 | L | 95.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.3 | 168.1 | 172.7 | 67.9 | 0 | 0 | 0 | 108.6 | V1648 V1669 Y1694 Y1695 L1707 I1709 M1857 I1859 | L1646-V1648 HydrophobicContact CD1-CG2 4.21Å; L1646-V1648 HydrophobicContact CD2-CG2 3.79Å; L1646-V1648 HydrophobicContact CG-CG2 3.73Å; L1646-V1669 HydrophobicContact CD2-CB 4.5Å; L1646-V1669 HydrophobicContact CD2-CG1 3.6Å; L1646-V1669 HydrophobicContact CD2-CG2 4.01Å; L1646-Y1694 CarbonylContact O-C 3.45Å; L1646-Y1694 WeakPolarHBondContact O-CA 3.41Å; L1646-Y1695 HydrophobicContact CD2-CD2 4.08Å; L1646-Y1695 HydrophobicContact CG-CD2 4.38Å; L1646-Y1695 PolarHBondContact N-O 3.34Å; L1646-Y1695 PolarHBondContact O-N 2.99Å; L1646-L1707 HydrophobicContact CB-CD2 4.33Å; L1646-L1707 HydrophobicContact CD1-CD2 4.23Å; L1646-L1707 HydrophobicContact CD2-CD2 4.38Å; L1646-I1709 HydrophobicContact CD2-CD1 4.47Å; L1646-I1709 HydrophobicContact CD2-CG1 3.69Å; L1646-M1857 HydrophobicContact CD1-CB 4.44Å; L1646-M1857 HydrophobicContact CD1-CE 3.42Å; L1646-M1857 VanDerWaalsContact CD1-CE 3.42Å; L1646-M1857 HydrophobicContact CD1-SD 3.84Å; L1646-I1859 HydrophobicContact CD1-CG1 4Å |
| 1647 | Y | 95.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.3 | 173.5 | -67.3 | -94.4 | 0 | 0 | 0 | 109.5 | R1645 Y1694 M1857 W1858 D1860 I1873 I1875 | R1645-Y1647 HydrophobicContact CB-CD2 4.23Å; R1645-Y1647 HydrophobicContact CB-CE2 3.65Å; Y1647-Y1694 VanDerWaalsContact CD1-CB 3.44Å; Y1647-Y1694 HydrophobicContact CD1-CG 4.34Å; Y1647-Y1694 HydrophobicContact CE1-CG 4.11Å; Y1647-M1857 CarbonylContact O-C 3.48Å; Y1647-M1857 WeakPolarHBondContact O-CA 3.29Å; Y1647-M1857 WeakPolarHBondContact O-CB 3.47Å; Y1647-W1858 HydrophobicContact CD1-CH2 4.23Å; Y1647-W1858 AromaticContact CD1-CZ2 3.78Å; Y1647-W1858 HydrophobicContact CD1-CZ2 3.78Å; Y1647-W1858 AromaticContact CD2-CD1 3.93Å; Y1647-W1858 HydrophobicContact CD2-CD2 4.2Å; Y1647-W1858 AromaticContact CD2-CE2 3.5Å; Y1647-W1858 HydrophobicContact CD2-CG 4.44Å; Y1647-W1858 AromaticContact CD2-CZ2 3.87Å; Y1647-W1858 HydrophobicContact CD2-CZ2 3.87Å; Y1647-W1858 AromaticContact CD2-NE1 3.27Å; Y1647-W1858 VanDerWaalsContact CD2-NE1 3.27Å; Y1647-W1858 HydrophobicContact CE1-CZ2 4.29Å; Y1647-W1858 HydrophobicContact CE2-CZ2 4.34Å; Y1647-W1858 AromaticContact CE2-NE1 3.67Å; Y1647-W1858 HydrophobicContact CG-CD2 4.15Å; Y1647-W1858 AromaticContact CG-CE2 3.55Å; Y1647-W1858 HydrophobicContact CG-CH2 4.11Å; Y1647-W1858 AromaticContact CG-CZ2 3.53Å; Y1647-W1858 HydrophobicContact CG-CZ2 3.53Å; Y1647-W1858 AromaticContact CG-NE1 3.86Å; Y1647-W1858 PolarHBondContact N-O 2.99Å; Y1647-W1858 PolarHBondContact O-N 2.73Å; Y1647-D1860 HydrophobicContact CE2-CB 4.16Å; Y1647-D1860 WeakPolarHBondContact CE2-OD2 3.39Å; Y1647-I1873 HydrophobicContact CE1-CB 3.83Å; Y1647-I1873 HydrophobicContact CE1-CD1 4.35Å; Y1647-I1873 HydrophobicContact CE1-CG1 4.41Å; Y1647-I1873 PolarHBondContact OH-N 2.68Å; Y1647-I1875 HydrophobicContact CD1-CD1 3.94Å; Y1647-I1875 HydrophobicContact CD1-CG1 4.14Å; Y1647-I1875 HydrophobicContact CD1-CG2 4.26Å; Y1647-I1875 HydrophobicContact CG-CD1 4.47Å |
| 1648 | V | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.1 | -179.5 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | L1646 L1667 F1691 G1692 K1693 Y1695 L1855 | L1646-V1648 HydrophobicContact CD1-CG2 4.21Å; L1646-V1648 HydrophobicContact CD2-CG2 3.79Å; L1646-V1648 HydrophobicContact CG-CG2 3.73Å; V1648-L1667 HydrophobicContact CB-CD1 4.24Å; V1648-L1667 HydrophobicContact CG1-CD1 3.85Å; V1648-L1667 HydrophobicContact CG2-CD1 4.39Å; V1648-F1691 HydrophobicContact CG1-CB 4.47Å; V1648-F1691 HydrophobicContact CG1-CD2 3.91Å; V1648-F1691 HydrophobicContact CG1-CG 4.46Å; V1648-G1692 PolarHBondContact O-N 2.89Å; V1648-G1692 VanDerWaalsContact O-N 3.12Å; V1648-K1693 PolarHBondContact N-O 3.18Å; V1648-K1693 PolarHBondContact O-N 3.19Å; V1648-K1693 VanDerWaalsContact O-N 3.14Å; V1648-Y1695 HydrophobicContact CB-CE2 4.41Å; V1648-Y1695 HydrophobicContact CG2-CD2 4.21Å; V1648-Y1695 HydrophobicContact CG2-CE2 3.85Å; V1648-L1855 HydrophobicContact CG1-CD1 3.65Å; V1648-L1855 HydrophobicContact CG1-CD2 4.19Å; V1648-L1855 HydrophobicContact CG1-CG 4.07Å |
| 1649 | I | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -61.8 | -175 | -50.4 | 159.9 | 0 | 0 | 0 | 109.4 | W1412 W1413 F1416 F1691 G1692 V1837 Q1856 W1858 | W1412-I1649 HydrophobicContact CH2-CD1 3.79Å; W1412-I1649 HydrophobicContact CH2-CG1 3.82Å; W1412-I1649 HydrophobicContact CH2-CG2 4.16Å; W1412-I1649 HydrophobicContact CZ2-CD1 4.28Å; W1412-I1649 HydrophobicContact CZ3-CG2 4.38Å; W1413-I1649 HydrophobicContact CH2-CG2 3.7Å; W1413-I1649 HydrophobicContact CZ2-CG2 4.08Å; W1413-I1649 HydrophobicContact CZ3-CG2 4.4Å; F1416-I1649 HydrophobicContact CD1-CG2 4.44Å; F1416-I1649 HydrophobicContact CD2-CD1 4.36Å; F1416-I1649 HydrophobicContact CE1-CG2 3.96Å; F1416-I1649 HydrophobicContact CE2-CD1 3.86Å; F1416-I1649 HydrophobicContact CZ-CD1 4.23Å; F1416-I1649 HydrophobicContact CZ-CG2 4.04Å; I1649-F1691 PolarHBondContact O-N 2.95Å; I1649-G1692 PolarHBondContact O-N 2.83Å; I1649-V1837 HydrophobicContact CD1-CB 4.24Å; I1649-V1837 HydrophobicContact CD1-CG1 3.42Å; I1649-V1837 VanDerWaalsContact CD1-CG1 3.42Å; I1649-V1837 HydrophobicContact CD1-CG2 3.72Å; I1649-Q1856 WeakPolarHBondContact CB-O 3.41Å; I1649-Q1856 HydrophobicContact CD1-CB 4.23Å; I1649-Q1856 PolarHBondContact N-O 3.29Å; I1649-W1858 HydrophobicContact CD1-CE3 4.15Å; I1649-W1858 HydrophobicContact CD1-CZ3 3.87Å; I1649-W1858 HydrophobicContact CG1-CE3 4.37Å; I1649-W1858 HydrophobicContact CG1-CZ3 3.86Å |
| 1650 | R | 92.7 | Very high | 86.9 | Confident | 65 Ų | 65 | 38.7 Ų | 38.7 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 158.2 | -173 | 63.3 | 173.9 | -176.5 | 158.2 | -1.8 | 111.9 | I1652 P1689 V1690 Q1856 | R1650-I1652 HydrophobicContact CG-CG1 4.37Å; R1650-P1689 CarbonylContact C-O 3.57Å; R1650-P1689 WeakPolarHBondContact CA-O 3.41Å; R1650-P1689 VanDerWaalsContact CB-O 3.23Å; R1650-P1689 WeakPolarHBondContact CB-O 3.05Å; R1650-V1690 HydrophobicContact CB-CB 4.45Å; R1650-V1690 HydrophobicContact CB-CG2 4.14Å; R1650-Q1856 HydrophobicContact CG-CB 4.24Å; R1650-Q1856 VanDerWaalsContact CZ-OE1 3.31Å; R1650-Q1856 PolarHBondContact O-N 2.85Å |
| 1651 | A | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 160.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1654 N1688 P1689 F1691 M1711 R1854 L1855 | A1651-L1654 HydrophobicContact CB-CD1 4.28Å; A1651-L1654 HydrophobicContact CB-CD2 3.75Å; A1651-L1654 HydrophobicContact CB-CG 4.03Å; A1651-N1688 CarbonylContact O-C 3.42Å; A1651-N1688 WeakPolarHBondContact O-CA 3.45Å; A1651-P1689 HydrophobicContact CB-CG 3.82Å; A1651-P1689 PolarHBondContact N-O 3.29Å; A1651-F1691 HydrophobicContact CB-CE2 4.19Å; A1651-M1711 HydrophobicContact CB-CE 3.83Å; A1651-R1854 CarbonylContact C-O 3.52Å; A1651-R1854 WeakPolarHBondContact CA-O 3.49Å; A1651-L1855 HydrophobicContact CB-CD1 4.06Å |
| 1652 | I | 86.1 | Confident | 85.9 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 19% | 0.185 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 121.3 | -175.2 | -53.1 | 174.8 | 0 | 0 | 0 | 109.7 | R1650 R1854 Q1856 | R1650-I1652 HydrophobicContact CG-CG1 4.37Å; I1652-R1854 PolarHBondContact N-O 2.82Å; I1652-R1854 PolarHBondContact O-N 2.89Å; I1652-Q1856 HydrophobicContact CD1-CG 3.8Å |
| 1653 | K | 82.5 | Confident | 85.7 | Confident | 121 Ų | 121 | 38.9 Ų | 38.9 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 47.9 | 62.4 | 178.8 | -63.1 | -178.1 | 178.8 | -170.3 | 0 | 112 | R352 L1687 N1688 G1853 | R352-K1653 PolarHBondContact NH2-O 2.78Å; K1653-L1687 VanDerWaalsContact CA-O 3.3Å; K1653-L1687 WeakPolarHBondContact CA-O 3.36Å; K1653-L1687 PolarHBondContact N-O 3.09Å; K1653-N1688 PolarHBondContact N-OD1 2.81Å; K1653-G1853 WeakPolarHBondContact O-CA 3.23Å |
| 1654 | L | 87.1 | Confident | 85.5 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 159.3 | 165.4 | -63.3 | -179.5 | 0 | 0 | 0 | 111 | A1651 P1665 L1687 P1689 M1711 I1723 L1842 Q1852 | A1651-L1654 HydrophobicContact CB-CD1 4.28Å; A1651-L1654 HydrophobicContact CB-CD2 3.75Å; A1651-L1654 HydrophobicContact CB-CG 4.03Å; L1654-P1665 HydrophobicContact CD1-CB 3.63Å; L1654-P1665 HydrophobicContact CD1-CG 3.76Å; L1654-L1687 HydrophobicContact CB-CB 4.43Å; L1654-L1687 HydrophobicContact CB-CD2 4.11Å; L1654-L1687 PolarHBondContact N-O 2.73Å; L1654-P1689 HydrophobicContact CD1-CG 3.93Å; L1654-M1711 HydrophobicContact CD1-CG 4.13Å; L1654-M1711 HydrophobicContact CD1-SD 4.19Å; L1654-M1711 HydrophobicContact CD2-CE 4.47Å; L1654-M1711 HydrophobicContact CD2-CG 4.01Å; L1654-I1723 HydrophobicContact CB-CG2 4.47Å; L1654-I1723 HydrophobicContact CD1-CD1 4.21Å; L1654-I1723 HydrophobicContact CD2-CG2 4.48Å; L1654-L1842 HydrophobicContact CD2-CD1 3.77Å; L1654-Q1852 CarbonylContact C-O 3.53Å; L1654-Q1852 WeakPolarHBondContact CA-O 3.2Å |
| 1655 | H | 81.5 | Confident | 85.5 | Confident | 86 Ų | 86 | 40 Ų | 40 | 40% | 0.398 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -74.5 | 130.5 | 170.6 | -174.9 | -74.3 | 0 | 0 | 0 | 110.1 | S1663 I1723 Q1852 | H1655-S1663 PolarHBondContact O-OG 2.65Å; H1655-S1663 VanDerWaalsContact O-OG 3.11Å; H1655-I1723 HydrophobicContact CB-CG2 4.38Å; H1655-Q1852 HydrophobicContact CB-CB 4.21Å; H1655-Q1852 PolarHBondContact CD2-OE1 2.87Å; H1655-Q1852 PolarHBondContact N-O 3.02Å |
| 1656 | P | 80.9 | Confident | 85.5 | Confident | 56 Ų | 56 | 39.5 Ų | 39.5 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -73 | 132.1 | 176.5 | 30.7 | -34 | 0 | 0 | 0 | 111.5 | G1661 K1662 L1687 | P1656-G1661 VanDerWaalsContact CB-C 3.49Å; P1656-G1661 WeakPolarHBondContact CB-O 3.41Å; P1656-K1662 CarbonylContact C-O 3.54Å; P1656-K1662 WeakPolarHBondContact CA-O 3.41Å; P1656-L1687 HydrophobicContact CB-CD1 4.26Å; P1656-L1687 HydrophobicContact CB-CD2 4.19Å |
| 1657 | T | 79.3 | Confident | 85.4 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 31% | 0.307 | 22% | 0.217 | S | C | . | . | trans | -118.1 | -30.6 | -176.1 | 36.8 | 0 | 0 | 0 | 0 | 111.1 | K1662 S1663 D1713 T1721 I1723 | T1657-K1662 PolarHBondContact N-O 2.84Å; T1657-S1663 PolarHBondContact N-OG 3.27Å; T1657-S1663 PolarHBondContact OG1-OG 3.21Å; T1657-D1713 WeakPolarHBondContact CB-OD2 3.27Å; T1657-D1713 PolarHBondContact OG1-OD1 2.94Å; T1657-D1713 PolarHBondContact OG1-OD2 3.07Å; T1657-T1721 HydrophobicContact CG2-CG2 4.14Å; T1657-I1723 HydrophobicContact CG2-CG1 4.32Å | ||
| 1658 | D | 79 | Confident | 85.3 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -68.8 | 149.2 | 174.8 | -97 | -47.3 | 0 | 0 | 0 | 113.7 | N1660 G1661 K1662 | D1658-N1660 HydrophobicContact CB-CB 4.33Å; D1658-N1660 WeakPolarHBondContact CB-ND2 3.49Å; D1658-N1660 WeakPolarHBondContact CB-OD1 3.31Å; D1658-N1660 PolarHBondContact O-N 3.49Å; D1658-N1660 PolarHBondContact OD2-ND2 3.42Å; D1658-G1661 PolarHBondContact O-N 3.42Å; D1658-K1662 WeakPolarHBondContact CB-O 3.41Å; D1658-K1662 PolarHBondContact N-O 2.85Å |
| 1659 | P | 67.8 | Low | 85.3 | Confident | 139 Ų | 139 | 40.7 Ų | 40.7 | 90% | 0.903 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.9 | 163.8 | -23.2 | 34 | 0 | 0 | 0 | 114.9 | G1661 | P1659-G1661 VanDerWaalsContact C-N 3.32Š|
| 1660 | N | 68.5 | Low | 85.2 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4 | 176.7 | 71.7 | 42.4 | 0 | 0 | 0 | 113.7 | D1658 K1662 | D1658-N1660 HydrophobicContact CB-CB 4.33Å; D1658-N1660 WeakPolarHBondContact CB-ND2 3.49Å; D1658-N1660 WeakPolarHBondContact CB-OD1 3.31Å; D1658-N1660 PolarHBondContact O-N 3.49Å; D1658-N1660 PolarHBondContact OD2-ND2 3.42Å; N1660-K1662 WeakPolarHBondContact OD1-CA 3.39Å; N1660-K1662 WeakPolarHBondContact OD1-CB 3.34Å; N1660-K1662 WeakPolarHBondContact OD1-CG 3.02Å; N1660-K1662 PolarHBondContact OD1-N 3.35Å |
| 1661 | G | 72.8 | Confident | 85.1 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 81.6 | 17.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1656 D1658 P1659 | P1656-G1661 VanDerWaalsContact CB-C 3.49Å; P1656-G1661 WeakPolarHBondContact CB-O 3.41Å; D1658-G1661 PolarHBondContact O-N 3.42Å; P1659-G1661 VanDerWaalsContact C-N 3.32Å |
| 1662 | K | 81.5 | Confident | 84.6 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -133.3 | -150.9 | 175.5 | -46.5 | -173.2 | -174.7 | 173.5 | 0 | 110.3 | P1656 T1657 D1658 N1660 K1685 L1687 | P1656-K1662 CarbonylContact C-O 3.54Å; P1656-K1662 WeakPolarHBondContact CA-O 3.41Å; T1657-K1662 PolarHBondContact N-O 2.84Å; D1658-K1662 WeakPolarHBondContact CB-O 3.41Å; D1658-K1662 PolarHBondContact N-O 2.85Å; N1660-K1662 WeakPolarHBondContact OD1-CA 3.39Å; N1660-K1662 WeakPolarHBondContact OD1-CB 3.34Å; N1660-K1662 WeakPolarHBondContact OD1-CG 3.02Å; N1660-K1662 PolarHBondContact OD1-N 3.35Å; K1662-K1685 VanDerWaalsContact CD-C 3.42Å; K1662-K1685 HydrophobicContact CD-CB 3.96Å; K1662-K1685 WeakPolarHBondContact CD-O 3.23Å; K1662-K1685 PolarHBondContact NZ-O 3.26Å; K1662-L1687 HydrophobicContact CB-CD2 4.43Å; K1662-L1687 HydrophobicContact CB-CG 4.39Å |
| 1663 | S | 86.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -154.4 | 162.4 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 108.1 | H1655 T1657 P1665 K1685 T1686 D1713 | H1655-S1663 PolarHBondContact O-OG 2.65Å; H1655-S1663 VanDerWaalsContact O-OG 3.11Å; T1657-S1663 PolarHBondContact N-OG 3.27Å; T1657-S1663 PolarHBondContact OG1-OG 3.21Å; S1663-P1665 WeakPolarHBondContact O-CD 3.21Å; S1663-K1685 WeakPolarHBondContact O-CA 3.46Å; S1663-K1685 PolarHBondContact O-N 2.95Å; S1663-T1686 PolarHBondContact O-N 2.85Å; S1663-D1713 VanDerWaalsContact CA-OD1 3.3Å; S1663-D1713 WeakPolarHBondContact CA-OD1 3.15Å; S1663-D1713 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 1664 | D | 89 | Confident | 84.4 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | trans | -110.1 | 62.7 | 171.7 | -82.1 | -1.7 | 0 | 0 | 0 | 110.3 | Y1682 P1684 K1685 D1713 H1714 | D1664-Y1682 HydrophobicContact CB-CD2 3.88Å; D1664-Y1682 HydrophobicContact CB-CE2 4.3Å; D1664-P1684 VanDerWaalsContact OD1-CA 3.23Å; D1664-P1684 WeakPolarHBondContact OD1-CA 3.36Å; D1664-K1685 PolarHBondContact OD1-N 3.44Å; D1664-D1713 PolarHBondContact N-OD1 2.88Å; D1664-H1714 HydrophobicContact CB-CB 4.36Å; D1664-H1714 PolarHBondContact O-N 2.82Å | ||
| 1665 | P | 93.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 142.4 | -164.7 | 26.8 | -39.3 | 0 | 0 | 0 | 116.7 | L1654 S1663 K1683 T1686 P1689 M1711 M1712 I1723 | L1654-P1665 HydrophobicContact CD1-CB 3.63Å; L1654-P1665 HydrophobicContact CD1-CG 3.76Å; S1663-P1665 WeakPolarHBondContact O-CD 3.21Å; P1665-K1683 WeakPolarHBondContact CD-O 3.5Å; P1665-K1683 HydrophobicContact CG-CB 4.47Å; P1665-K1683 PolarHBondContact O-N 3.26Å; P1665-T1686 WeakPolarHBondContact CD-O 3.26Å; P1665-T1686 HydrophobicContact CG-CG2 4.42Å; P1665-T1686 WeakPolarHBondContact CG-O 3.16Å; P1665-P1689 HydrophobicContact CB-CG 4.22Å; P1665-P1689 HydrophobicContact CG-CB 3.88Å; P1665-P1689 HydrophobicContact CG-CG 3.61Å; P1665-M1711 HydrophobicContact CB-CG 4.49Å; P1665-M1711 HydrophobicContact CB-SD 3.95Å; P1665-M1712 CarbonylContact C-O 3.58Å; P1665-M1712 WeakPolarHBondContact CA-O 3.5Å; P1665-I1723 HydrophobicContact CB-CD1 4.15Å |
| 1666 | Y | 94.5 | Very high | 84.9 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 174.3 | 167.3 | 71.6 | -87.2 | 0 | 0 | 0 | 112.5 | I1668 N1677 R1679 M1712 H1714 D1720 | Y1666-I1668 HydrophobicContact CD2-CG1 4.31Å; Y1666-I1668 HydrophobicContact CE2-CD1 4.03Å; Y1666-I1668 HydrophobicContact CE2-CG1 3.78Å; Y1666-N1677 VanDerWaalsContact CE2-OD1 3.26Å; Y1666-N1677 WeakPolarHBondContact CE2-OD1 3.37Å; Y1666-R1679 VanDerWaalsContact CD2-CA 3.46Å; Y1666-R1679 HydrophobicContact CD2-CB 4.07Å; Y1666-R1679 HydrophobicContact CE1-CG 4.2Å; Y1666-R1679 HydrophobicContact CE2-CB 3.79Å; Y1666-R1679 HydrophobicContact CE2-CG 4.16Å; Y1666-M1712 HydrophobicContact CD1-CB 3.79Å; Y1666-M1712 HydrophobicContact CD2-CB 4.01Å; Y1666-M1712 HydrophobicContact CE1-CB 3.36Å; Y1666-M1712 HydrophobicContact CE1-CG 4.4Å; Y1666-M1712 HydrophobicContact CE2-CB 3.59Å; Y1666-M1712 HydrophobicContact CE2-CG 3.87Å; Y1666-M1712 HydrophobicContact CG-CB 4.1Å; Y1666-M1712 PolarHBondContact N-O 2.95Å; Y1666-M1712 PolarHBondContact O-N 3.05Å; Y1666-H1714 HydrophobicContact CD1-CB 3.93Å; Y1666-H1714 HydrophobicContact CE1-CB 3.99Å; Y1666-D1720 HydrophobicContact CE1-CB 4.09Å; Y1666-D1720 VanDerWaalsContact OH-CB 3.24Å; Y1666-D1720 WeakPolarHBondContact OH-CB 3.18Å |
| 1667 | L | 94.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.6 | -176.2 | -70.7 | 166 | 0 | 0 | 0 | 112.2 | V1648 D1678 F1691 Y1695 I1709 Q1710 M1711 | V1648-L1667 HydrophobicContact CB-CD1 4.24Å; V1648-L1667 HydrophobicContact CG1-CD1 3.85Å; V1648-L1667 HydrophobicContact CG2-CD1 4.39Å; L1667-D1678 PolarHBondContact O-N 3.04Å; L1667-F1691 HydrophobicContact CD1-CB 4.39Å; L1667-F1691 HydrophobicContact CD1-CD1 3.74Å; L1667-F1691 HydrophobicContact CD1-CD2 3.95Å; L1667-F1691 HydrophobicContact CD1-CE1 3.93Å; L1667-F1691 HydrophobicContact CD1-CE2 4.12Å; L1667-F1691 HydrophobicContact CD1-CG 3.75Å; L1667-F1691 HydrophobicContact CD1-CZ 4.11Å; L1667-F1691 HydrophobicContact CD2-CZ 4.49Å; L1667-F1691 HydrophobicContact CG-CD1 4.27Å; L1667-F1691 HydrophobicContact CG-CE1 3.95Å; L1667-F1691 HydrophobicContact CG-CE2 4.38Å; L1667-F1691 HydrophobicContact CG-CZ 4Å; L1667-Y1695 HydrophobicContact CD1-CE2 4.32Å; L1667-Y1695 WeakPolarHBondContact CD1-OH 3.41Å; L1667-I1709 HydrophobicContact CD2-CG2 3.97Å; L1667-Q1710 WeakPolarHBondContact CA-O 3.3Å; L1667-M1711 HydrophobicContact CD2-CE 3.56Å; L1667-M1711 HydrophobicContact CD2-SD 4.05Å; L1667-M1711 HydrophobicContact CG-CE 4.48Å |
| 1668 | I | 93.9 | Very high | 85.7 | Confident | 26 Ų | 26 | 49 Ų | 49 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127 | 159.7 | -54.9 | -177.5 | 0 | 0 | 0 | 107.5 | Y1666 V1675 I1676 N1677 Q1710 M1712 | Y1666-I1668 HydrophobicContact CD2-CG1 4.31Å; Y1666-I1668 HydrophobicContact CE2-CD1 4.03Å; Y1666-I1668 HydrophobicContact CE2-CG1 3.78Å; I1668-V1675 HydrophobicContact CG2-CG1 3.97Å; I1668-I1676 WeakPolarHBondContact CA-O 3.4Å; I1668-N1677 HydrophobicContact CG1-CB 4.35Å; I1668-Q1710 HydrophobicContact CB-CB 4.34Å; I1668-Q1710 PolarHBondContact N-O 2.7Å; I1668-Q1710 PolarHBondContact O-N 2.86Å; I1668-M1712 HydrophobicContact CD1-CG 3.73Å; I1668-M1712 HydrophobicContact CD1-SD 4.46Å; I1668-M1712 HydrophobicContact CG1-CG 3.92Å |
| 1669 | V | 94.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.2 | -179.1 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | L1646 I1676 Y1695 F1697 L1707 S1708 I1709 | L1646-V1669 HydrophobicContact CD2-CB 4.5Å; L1646-V1669 HydrophobicContact CD2-CG1 3.6Å; L1646-V1669 HydrophobicContact CD2-CG2 4.01Å; V1669-I1676 PolarHBondContact N-O 3.48Å; V1669-I1676 PolarHBondContact O-N 3.42Å; V1669-Y1695 HydrophobicContact CG2-CD2 4.07Å; V1669-Y1695 HydrophobicContact CG2-CE2 4.01Å; V1669-Y1695 HydrophobicContact CG2-CG 4.38Å; V1669-F1697 HydrophobicContact CB-CZ 4.06Å; V1669-F1697 HydrophobicContact CG1-CE2 3.81Å; V1669-F1697 HydrophobicContact CG1-CZ 3.45Å; V1669-F1697 VanDerWaalsContact CG1-CZ 3.45Å; V1669-L1707 HydrophobicContact CG1-CD1 3.73Å; V1669-S1708 WeakPolarHBondContact CA-O 3.36Å; V1669-I1709 HydrophobicContact CG1-CG1 4.48Å; V1669-I1709 HydrophobicContact CG2-CG2 4.44Å |
| 1670 | S | 91.7 | Very high | 86.8 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.9 | 177.6 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | C1674 L1707 S1708 | S1670-C1674 CarbonylContact C-O 3.59Å; S1670-C1674 VanDerWaalsContact CA-O 3.25Å; S1670-C1674 WeakPolarHBondContact CA-O 3.32Å; S1670-L1707 WeakPolarHBondContact O-CA 3.28Å; S1670-S1708 PolarHBondContact N-O 3.13Å; S1670-S1708 PolarHBondContact O-N 3.37Å |
| 1671 | L | 90.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 112 | 174.8 | -177.1 | 53.1 | 0 | 0 | 0 | 108.9 | V1644 K1673 C1674 F1697 A1699 D1704 L1706 L1707 I1730 | V1644-L1671 HydrophobicContact CB-CD2 4.01Å; V1644-L1671 HydrophobicContact CG1-CD2 4.11Å; V1644-L1671 HydrophobicContact CG2-CD2 4.08Å; L1671-K1673 PolarHBondContact O-N 2.84Å; L1671-C1674 PolarHBondContact N-O 3.1Å; L1671-C1674 PolarHBondContact O-N 2.87Å; L1671-F1697 HydrophobicContact CB-CB 4.48Å; L1671-F1697 HydrophobicContact CB-CD1 4.13Å; L1671-F1697 HydrophobicContact CB-CG 4.16Å; L1671-F1697 HydrophobicContact CD2-CB 3.83Å; L1671-F1697 HydrophobicContact CD2-CD2 4.35Å; L1671-F1697 HydrophobicContact CD2-CG 4.14Å; L1671-A1699 HydrophobicContact CD2-CB 3.96Å; L1671-A1699 HydrophobicContact CG-CB 4.45Å; L1671-D1704 VanDerWaalsContact CD1-O 3.31Å; L1671-D1704 WeakPolarHBondContact CD1-O 3.36Å; L1671-D1704 HydrophobicContact CG-CB 4.48Å; L1671-L1706 VanDerWaalsContact CD1-C 3.44Å; L1671-L1706 WeakPolarHBondContact CD1-O 3.12Å; L1671-L1707 HydrophobicContact CB-CD1 3.96Å; L1671-L1707 HydrophobicContact CD1-CB 4.12Å; L1671-L1707 HydrophobicContact CD2-CD1 4.42Å; L1671-I1730 HydrophobicContact CD1-CG1 4.14Å |
| 1672 | G | 81.4 | Confident | 88.3 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -117.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1704 | G1672-D1704 WeakPolarHBondContact CA-OD1 3.38Š|
| 1673 | K | 79.3 | Confident | 88.4 | Confident | 189 Ų | 189 | 49.1 Ų | 49.1 | 82% | 0.822 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.4 | 176 | -66.2 | -179.4 | -177.4 | 174.2 | 0 | 114.4 | L1671 | L1671-K1673 PolarHBondContact O-N 2.84Š|
| 1674 | C | 84.9 | Confident | 88.1 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.2 | 179.4 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | S1670 L1671 F1697 | S1670-C1674 CarbonylContact C-O 3.59Å; S1670-C1674 VanDerWaalsContact CA-O 3.25Å; S1670-C1674 WeakPolarHBondContact CA-O 3.32Å; L1671-C1674 PolarHBondContact N-O 3.1Å; L1671-C1674 PolarHBondContact O-N 2.87Å; C1674-F1697 HydrophobicContact CB-CD1 3.83Å; C1674-F1697 HydrophobicContact CB-CE1 4.29Å |
| 1675 | V | 89 | Confident | 87.5 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 59% | 0.594 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.3 | 173.4 | -174 | 0 | 0 | 0 | 0 | 108 | I1668 | I1668-V1675 HydrophobicContact CG2-CG1 3.97Å |
| 1676 | I | 89.2 | Confident | 86.9 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 30% | 0.297 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.2 | 173.1 | -56.9 | 175.1 | 0 | 0 | 0 | 107.1 | I1668 V1669 Y1695 F1697 | I1668-I1676 WeakPolarHBondContact CA-O 3.4Å; V1669-I1676 PolarHBondContact N-O 3.48Å; V1669-I1676 PolarHBondContact O-N 3.42Å; I1676-Y1695 HydrophobicContact CB-CD1 4.4Å; I1676-Y1695 HydrophobicContact CD1-CD1 4.04Å; I1676-Y1695 HydrophobicContact CG2-CD1 3.95Å; I1676-Y1695 HydrophobicContact CG2-CE1 4.05Å; I1676-F1697 HydrophobicContact CD1-CD1 4.48Å; I1676-F1697 HydrophobicContact CD1-CE1 3.64Å; I1676-F1697 HydrophobicContact CD1-CZ 3.81Å; I1676-F1697 HydrophobicContact CG1-CE1 4Å; I1676-F1697 HydrophobicContact CG1-CZ 4.4Å |
| 1677 | N | 89.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 104.2 | -173.7 | 179.5 | 0.3 | 0 | 0 | 0 | 108.8 | Y1666 I1668 R1679 | Y1666-N1677 VanDerWaalsContact CE2-OD1 3.26Å; Y1666-N1677 WeakPolarHBondContact CE2-OD1 3.37Å; I1668-N1677 HydrophobicContact CG1-CB 4.35Å; N1677-R1679 PolarHBondContact O-N 2.91Å; N1677-R1679 WeakPolarHBondContact OD1-CB 3.34Å; N1677-R1679 PolarHBondContact OD1-N 2.84Å |
| 1678 | D | 89.7 | Confident | 86 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | trans | -87.6 | 31 | -175.5 | -87.4 | 36 | 0 | 0 | 0 | 112 | L1667 D1680 D1681 Y1682 K1693 Y1695 | L1667-D1678 PolarHBondContact O-N 3.04Å; D1678-D1680 VanDerWaalsContact C-N 3.28Å; D1678-D1680 PolarHBondContact O-N 3.46Å; D1678-D1681 CarbonylContact O-C 3.56Å; D1678-D1681 VanDerWaalsContact O-C 3.3Å; D1678-D1681 WeakPolarHBondContact O-CA 3.41Å; D1678-D1681 PolarHBondContact O-N 2.81Å; D1678-Y1682 PolarHBondContact O-N 3.49Å; D1678-K1693 IonicContact OD2-NZ 3.95Å; D1678-K1693 PolarHBondContact OD2-NZ 2.81Å; D1678-Y1695 PolarHBondContact OD2-OH 2.89Å | ||
| 1679 | R | 87.2 | Confident | 85.8 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -50.7 | -44.3 | -179.9 | -172 | -179.1 | -165.4 | -84 | -4.9 | 113.5 | Y1666 N1677 D1681 Y1682 H1714 D1720 | Y1666-R1679 VanDerWaalsContact CD2-CA 3.46Å; Y1666-R1679 HydrophobicContact CD2-CB 4.07Å; Y1666-R1679 HydrophobicContact CE1-CG 4.2Å; Y1666-R1679 HydrophobicContact CE2-CB 3.79Å; Y1666-R1679 HydrophobicContact CE2-CG 4.16Å; N1677-R1679 PolarHBondContact O-N 2.91Å; N1677-R1679 WeakPolarHBondContact OD1-CB 3.34Å; N1677-R1679 PolarHBondContact OD1-N 2.84Å; R1679-D1681 PolarHBondContact O-N 2.92Å; R1679-Y1682 PolarHBondContact O-N 2.92Å; R1679-H1714 PolarHBondContact NH2-CE1 2.98Å; R1679-H1714 VanDerWaalsContact NH2-CE1 3.25Å; R1679-H1714 PolarHBondContact NH2-ND1 2.83Å; R1679-D1720 IonicContact CZ-OD1 3.45Å; R1679-D1720 IonicContact CZ-OD2 3.53Å; R1679-D1720 IonicContact NE-OD1 3.94Å; R1679-D1720 IonicContact NE-OD2 3.1Å; R1679-D1720 PolarHBondContact NE-OD2 3.1Å; R1679-D1720 VanDerWaalsContact NH2-CG 3.29Å; R1679-D1720 IonicContact NH2-OD1 2.7Å; R1679-D1720 PolarHBondContact NH2-OD1 3.42Å; R1679-D1720 IonicContact NH2-OD2 2.85Å; R1679-D1720 PolarHBondContact NH2-OD2 3.13Å |
| 1680 | D | 82.8 | Confident | 85.4 | Confident | 154 Ų | 154 | 60.3 Ų | 60.3 | 82% | 0.824 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -75.6 | -3.9 | -179.5 | -56.8 | -29 | 0 | 0 | 0 | 112.8 | D1678 | D1678-D1680 VanDerWaalsContact C-N 3.28Å; D1678-D1680 PolarHBondContact O-N 3.46Å |
| 1681 | D | 83.2 | Confident | 85.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -118.5 | 36.6 | 172.5 | -174.5 | 57.3 | 0 | 0 | 0 | 111.4 | D1678 R1679 K1683 K1693 | D1678-D1681 CarbonylContact O-C 3.56Å; D1678-D1681 VanDerWaalsContact O-C 3.3Å; D1678-D1681 WeakPolarHBondContact O-CA 3.41Å; D1678-D1681 PolarHBondContact O-N 2.81Å; R1679-D1681 PolarHBondContact O-N 2.92Å; D1681-K1683 PolarHBondContact O-NZ 3.25Å; D1681-K1683 IonicContact OD1-NZ 2.77Å; D1681-K1683 PolarHBondContact OD1-NZ 2.75Å; D1681-K1683 IonicContact OD2-NZ 3.13Å; D1681-K1683 PolarHBondContact OD2-NZ 2.84Å; D1681-K1693 WeakPolarHBondContact OD2-CE 3.18Å; D1681-K1693 IonicContact OD2-NZ 2.65Å; D1681-K1693 PolarHBondContact OD2-NZ 2.86Å |
| 1682 | Y | 87.9 | Confident | 85 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | trans | -57.7 | 158.2 | 169.3 | 75.1 | -77 | 0 | 0 | 0 | 112.7 | D1664 D1678 R1679 P1684 H1714 E1968 | D1664-Y1682 HydrophobicContact CB-CD2 3.88Å; D1664-Y1682 HydrophobicContact CB-CE2 4.3Å; D1678-Y1682 PolarHBondContact O-N 3.49Å; R1679-Y1682 PolarHBondContact O-N 2.92Å; Y1682-P1684 HydrophobicContact CD2-CB 4.4Å; Y1682-P1684 HydrophobicContact CE2-CB 4Å; Y1682-P1684 HydrophobicContact CE2-CG 4.44Å; Y1682-H1714 AromaticContact CD1-CD2 3.61Å; Y1682-H1714 HydrophobicContact CD2-CB 4.21Å; Y1682-H1714 AromaticContact CE1-CD2 3.64Å; Y1682-H1714 HydrophobicContact CG-CB 4.04Å; Y1682-H1714 AromaticContact CG-CD2 3.86Å; Y1682-H1714 AromaticContact CZ-CD2 3.91Å; Y1682-E1968 PolarHBondContact OH-OE2 2.9Å | ||
| 1683 | K | 85.6 | Confident | 85.4 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 18% | 0.183 | 31% | 0.31 | C | S | . | . | trans | -114.9 | 95.7 | -176.1 | -63.3 | -70.3 | 167.5 | -79.8 | 0 | 108.7 | P1665 D1681 T1686 P1689 F1691 | P1665-K1683 WeakPolarHBondContact CD-O 3.5Å; P1665-K1683 HydrophobicContact CG-CB 4.47Å; P1665-K1683 PolarHBondContact O-N 3.26Å; D1681-K1683 PolarHBondContact O-NZ 3.25Å; D1681-K1683 IonicContact OD1-NZ 2.77Å; D1681-K1683 PolarHBondContact OD1-NZ 2.75Å; D1681-K1683 IonicContact OD2-NZ 3.13Å; D1681-K1683 PolarHBondContact OD2-NZ 2.84Å; K1683-T1686 HydrophobicContact CB-CG2 4.14Å; K1683-T1686 WeakPolarHBondContact O-CG2 3.46Å; K1683-P1689 HydrophobicContact CB-CB 3.79Å; K1683-P1689 HydrophobicContact CG-CB 4.07Å; K1683-F1691 HydrophobicContact CG-CD1 4.25Å; K1683-F1691 HydrophobicContact CG-CE1 4.08Å | ||
| 1684 | P | 80.4 | Confident | 86 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 141 | -168.3 | 21.7 | -32.7 | 0 | 0 | 0 | 113.7 | D1664 Y1682 T1686 | D1664-P1684 VanDerWaalsContact OD1-CA 3.23Å; D1664-P1684 WeakPolarHBondContact OD1-CA 3.36Å; Y1682-P1684 HydrophobicContact CD2-CB 4.4Å; Y1682-P1684 HydrophobicContact CE2-CB 4Å; Y1682-P1684 HydrophobicContact CE2-CG 4.44Å; P1684-T1686 PolarHBondContact O-N 2.78Å |
| 1685 | K | 75.3 | Confident | 86.4 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 15% | 0.148 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 49.6 | 162.9 | -60 | 172.9 | -167.8 | 170.6 | 0 | 112.7 | K1662 S1663 D1664 D1966 E1968 | K1662-K1685 VanDerWaalsContact CD-C 3.42Å; K1662-K1685 HydrophobicContact CD-CB 3.96Å; K1662-K1685 WeakPolarHBondContact CD-O 3.23Å; K1662-K1685 PolarHBondContact NZ-O 3.26Å; S1663-K1685 WeakPolarHBondContact O-CA 3.46Å; S1663-K1685 PolarHBondContact O-N 2.95Å; D1664-K1685 PolarHBondContact OD1-N 3.44Å; K1685-D1966 IonicContact NZ-OD1 3.95Å; K1685-D1966 PolarHBondContact NZ-OD1 3.28Å; K1685-E1968 PolarHBondContact NZ-O 2.8Å |
| 1686 | T | 81 | Confident | 86.5 | Confident | 38 Ų | 38 | 53 Ų | 53 | 23% | 0.233 | 26% | 0.263 | C | S | . | . | trans | -146.7 | 131.6 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 114.4 | S1663 P1665 K1683 P1684 N1688 P1689 | S1663-T1686 PolarHBondContact O-N 2.85Å; P1665-T1686 WeakPolarHBondContact CD-O 3.26Å; P1665-T1686 HydrophobicContact CG-CG2 4.42Å; P1665-T1686 WeakPolarHBondContact CG-O 3.16Å; K1683-T1686 HydrophobicContact CB-CG2 4.14Å; K1683-T1686 WeakPolarHBondContact O-CG2 3.46Å; P1684-T1686 PolarHBondContact O-N 2.78Å; T1686-N1688 VanDerWaalsContact C-N 3.31Å; T1686-N1688 PolarHBondContact OG1-N 2.98Å; T1686-P1689 HydrophobicContact CG2-CB 3.87Å | ||
| 1687 | L | 84.4 | Confident | 86.7 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -89 | 3.7 | 169 | -59 | -179.4 | 0 | 0 | 0 | 112.9 | K1653 L1654 P1656 K1662 | K1653-L1687 VanDerWaalsContact CA-O 3.3Å; K1653-L1687 WeakPolarHBondContact CA-O 3.36Å; K1653-L1687 PolarHBondContact N-O 3.09Å; L1654-L1687 HydrophobicContact CB-CB 4.43Å; L1654-L1687 HydrophobicContact CB-CD2 4.11Å; L1654-L1687 PolarHBondContact N-O 2.73Å; P1656-L1687 HydrophobicContact CB-CD1 4.26Å; P1656-L1687 HydrophobicContact CB-CD2 4.19Å; K1662-L1687 HydrophobicContact CB-CD2 4.43Å; K1662-L1687 HydrophobicContact CB-CG 4.39Å |
| 1688 | N | 84.2 | Confident | 86.7 | Confident | 78 Ų | 78 | 49 Ų | 49 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -136.9 | 57 | 177.6 | -52.8 | -85.8 | 0 | 0 | 0 | 110.6 | A1651 K1653 T1686 | A1651-N1688 CarbonylContact O-C 3.42Å; A1651-N1688 WeakPolarHBondContact O-CA 3.45Å; K1653-N1688 PolarHBondContact N-OD1 2.81Å; T1686-N1688 VanDerWaalsContact C-N 3.31Å; T1686-N1688 PolarHBondContact OG1-N 2.98Å |
| 1689 | P | 89.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | trans | -62.6 | 137.4 | -178.9 | 28.6 | -37.5 | 0 | 0 | 0 | 111.3 | R1650 A1651 L1654 P1665 K1683 T1686 F1691 | R1650-P1689 CarbonylContact C-O 3.57Å; R1650-P1689 WeakPolarHBondContact CA-O 3.41Å; R1650-P1689 VanDerWaalsContact CB-O 3.23Å; R1650-P1689 WeakPolarHBondContact CB-O 3.05Å; A1651-P1689 HydrophobicContact CB-CG 3.82Å; A1651-P1689 PolarHBondContact N-O 3.29Å; L1654-P1689 HydrophobicContact CD1-CG 3.93Å; P1665-P1689 HydrophobicContact CB-CG 4.22Å; P1665-P1689 HydrophobicContact CG-CB 3.88Å; P1665-P1689 HydrophobicContact CG-CG 3.61Å; K1683-P1689 HydrophobicContact CB-CB 3.79Å; K1683-P1689 HydrophobicContact CG-CB 4.07Å; T1686-P1689 HydrophobicContact CG2-CB 3.87Å; P1689-F1691 HydrophobicContact CB-CE1 4.2Å; P1689-F1691 HydrophobicContact CB-CE2 4.05Å; P1689-F1691 HydrophobicContact CB-CZ 3.75Å; P1689-F1691 HydrophobicContact CG-CE1 4.45Å; P1689-F1691 HydrophobicContact CG-CE2 3.71Å; P1689-F1691 HydrophobicContact CG-CZ 3.55Å | ||
| 1690 | V | 86.1 | Confident | 86.8 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.9 | 165.2 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | W1413 R1650 P1877 | W1413-V1690 HydrophobicContact CH2-CG1 3.74Å; W1413-V1690 HydrophobicContact CZ2-CG1 3.84Å; R1650-V1690 HydrophobicContact CB-CB 4.45Å; R1650-V1690 HydrophobicContact CB-CG2 4.14Å; V1690-P1877 HydrophobicContact CG1-CG 4.01Å |
| 1691 | F | 89.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -51.8 | 178.1 | -58 | -77.9 | 0 | 0 | 0 | 110.1 | V1648 I1649 A1651 L1667 K1683 P1689 K1693 M1711 L1855 | V1648-F1691 HydrophobicContact CG1-CB 4.47Å; V1648-F1691 HydrophobicContact CG1-CD2 3.91Å; V1648-F1691 HydrophobicContact CG1-CG 4.46Å; I1649-F1691 PolarHBondContact O-N 2.95Å; A1651-F1691 HydrophobicContact CB-CE2 4.19Å; L1667-F1691 HydrophobicContact CD1-CB 4.39Å; L1667-F1691 HydrophobicContact CD1-CD1 3.74Å; L1667-F1691 HydrophobicContact CD1-CD2 3.95Å; L1667-F1691 HydrophobicContact CD1-CE1 3.93Å; L1667-F1691 HydrophobicContact CD1-CE2 4.12Å; L1667-F1691 HydrophobicContact CD1-CG 3.75Å; L1667-F1691 HydrophobicContact CD1-CZ 4.11Å; L1667-F1691 HydrophobicContact CD2-CZ 4.49Å; L1667-F1691 HydrophobicContact CG-CD1 4.27Å; L1667-F1691 HydrophobicContact CG-CE1 3.95Å; L1667-F1691 HydrophobicContact CG-CE2 4.38Å; L1667-F1691 HydrophobicContact CG-CZ 4Å; K1683-F1691 HydrophobicContact CG-CD1 4.25Å; K1683-F1691 HydrophobicContact CG-CE1 4.08Å; P1689-F1691 HydrophobicContact CB-CE1 4.2Å; P1689-F1691 HydrophobicContact CB-CE2 4.05Å; P1689-F1691 HydrophobicContact CB-CZ 3.75Å; P1689-F1691 HydrophobicContact CG-CE1 4.45Å; P1689-F1691 HydrophobicContact CG-CE2 3.71Å; P1689-F1691 HydrophobicContact CG-CZ 3.55Å; F1691-K1693 VanDerWaalsContact C-N 3.27Å; F1691-K1693 PolarHBondContact O-N 2.9Å; F1691-M1711 HydrophobicContact CE2-CE 3.93Å; F1691-M1711 HydrophobicContact CE2-SD 4.34Å; F1691-M1711 HydrophobicContact CZ-CE 3.96Å; F1691-M1711 HydrophobicContact CZ-SD 3.77Å; F1691-L1855 HydrophobicContact CE2-CD1 4.37Å |
| 1692 | G | 85.5 | Confident | 86.9 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 39.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1648 I1649 I1875 S1876 | V1648-G1692 PolarHBondContact O-N 2.89Å; V1648-G1692 VanDerWaalsContact O-N 3.12Å; I1649-G1692 PolarHBondContact O-N 2.83Å; G1692-I1875 CarbonylContact C-O 3.59Å; G1692-I1875 WeakPolarHBondContact CA-O 3.44Å; G1692-I1875 CarbonylContact O-C 3.01Å; G1692-I1875 VanDerWaalsContact O-C 3.3Å; G1692-S1876 VanDerWaalsContact O-CA 3.23Å; G1692-S1876 WeakPolarHBondContact O-CA 3.47Å; G1692-S1876 PolarHBondContact O-N 2.84Å |
| 1693 | K | 88 | Confident | 86.6 | Confident | 69 Ų | 69 | 39.4 Ų | 39.4 | 30% | 0.3 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.8 | -175.3 | -82.5 | 178.1 | 162.7 | -175.2 | 0 | 111.3 | V1648 D1678 D1681 F1691 | V1648-K1693 PolarHBondContact N-O 3.18Å; V1648-K1693 PolarHBondContact O-N 3.19Å; V1648-K1693 VanDerWaalsContact O-N 3.14Å; D1678-K1693 IonicContact OD2-NZ 3.95Å; D1678-K1693 PolarHBondContact OD2-NZ 2.81Å; D1681-K1693 WeakPolarHBondContact OD2-CE 3.18Å; D1681-K1693 IonicContact OD2-NZ 2.65Å; D1681-K1693 PolarHBondContact OD2-NZ 2.86Å; F1691-K1693 VanDerWaalsContact C-N 3.27Å; F1691-K1693 PolarHBondContact O-N 2.9Å |
| 1694 | Y | 92 | Very high | 86.7 | Confident | 106 Ų | 106 | 38.5 Ų | 38.5 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.8 | 170 | 82.3 | -87.4 | 0 | 0 | 0 | 111 | L1646 Y1647 E1696 A1872 | L1646-Y1694 CarbonylContact O-C 3.45Å; L1646-Y1694 WeakPolarHBondContact O-CA 3.41Å; Y1647-Y1694 VanDerWaalsContact CD1-CB 3.44Å; Y1647-Y1694 HydrophobicContact CD1-CG 4.34Å; Y1647-Y1694 HydrophobicContact CE1-CG 4.11Å; Y1694-E1696 HydrophobicContact CD2-CB 4.5Å; Y1694-E1696 HydrophobicContact CE2-CB 4.14Å; Y1694-A1872 HydrophobicContact CD1-CB 4.02Å; Y1694-A1872 HydrophobicContact CD2-CB 4.04Å; Y1694-A1872 HydrophobicContact CE1-CB 3.52Å; Y1694-A1872 HydrophobicContact CE2-CB 3.54Å; Y1694-A1872 HydrophobicContact CG-CB 4.27Å |
| 1695 | Y | 93.6 | Very high | 87 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.3 | 177.4 | -53.6 | -85 | 0 | 0 | 0 | 108.2 | R1645 L1646 V1648 L1667 V1669 I1676 D1678 | R1645-Y1695 WeakPolarHBondContact CA-O 3.34Å; L1646-Y1695 HydrophobicContact CD2-CD2 4.08Å; L1646-Y1695 HydrophobicContact CG-CD2 4.38Å; L1646-Y1695 PolarHBondContact N-O 3.34Å; L1646-Y1695 PolarHBondContact O-N 2.99Å; V1648-Y1695 HydrophobicContact CB-CE2 4.41Å; V1648-Y1695 HydrophobicContact CG2-CD2 4.21Å; V1648-Y1695 HydrophobicContact CG2-CE2 3.85Å; L1667-Y1695 HydrophobicContact CD1-CE2 4.32Å; L1667-Y1695 WeakPolarHBondContact CD1-OH 3.41Å; V1669-Y1695 HydrophobicContact CG2-CD2 4.07Å; V1669-Y1695 HydrophobicContact CG2-CE2 4.01Å; V1669-Y1695 HydrophobicContact CG2-CG 4.38Å; I1676-Y1695 HydrophobicContact CB-CD1 4.4Å; I1676-Y1695 HydrophobicContact CD1-CD1 4.04Å; I1676-Y1695 HydrophobicContact CG2-CD1 3.95Å; I1676-Y1695 HydrophobicContact CG2-CE1 4.05Å; D1678-Y1695 PolarHBondContact OD2-OH 2.89Å |
| 1696 | E | 92.5 | Very high | 87.6 | Confident | 73 Ų | 73 | 38.4 Ų | 38.4 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129 | 177.2 | -172.8 | 175 | 129.9 | 0 | 0 | 111.2 | T1643 V1644 R1645 Y1694 R1864 | T1643-E1696 HydrophobicContact CG2-CG 3.46Å; T1643-E1696 VanDerWaalsContact CG2-CG 3.46Å; T1643-E1696 WeakPolarHBondContact CG2-OE1 3.43Å; V1644-E1696 WeakPolarHBondContact O-CA 3.38Å; R1645-E1696 HydrophobicContact CG-CB 4.19Å; R1645-E1696 HydrophobicContact CG-CG 4.02Å; R1645-E1696 IonicContact CZ-OE2 3.04Å; R1645-E1696 VanDerWaalsContact CZ-OE2 3.25Å; R1645-E1696 IonicContact NE-OE2 2.68Å; R1645-E1696 PolarHBondContact NE-OE2 2.93Å; R1645-E1696 IonicContact NH2-OE2 3.13Å; R1645-E1696 PolarHBondContact NH2-OE2 2.93Å; Y1694-E1696 HydrophobicContact CD2-CB 4.5Å; Y1694-E1696 HydrophobicContact CE2-CB 4.14Å; E1696-R1864 IonicContact OE1-NH2 3.31Å; E1696-R1864 PolarHBondContact OE1-NH2 3.32Å |
| 1697 | F | 91.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.6 | 179.4 | -56.1 | -84.3 | 0 | 0 | 0 | 111.1 | T1643 V1644 V1669 L1671 C1674 I1676 L1707 | T1643-F1697 WeakPolarHBondContact CA-O 3.31Å; V1644-F1697 HydrophobicContact CB-CB 4.47Å; V1644-F1697 PolarHBondContact N-O 2.99Å; V1644-F1697 PolarHBondContact O-N 3.46Å; V1669-F1697 HydrophobicContact CB-CZ 4.06Å; V1669-F1697 HydrophobicContact CG1-CE2 3.81Å; V1669-F1697 HydrophobicContact CG1-CZ 3.45Å; V1669-F1697 VanDerWaalsContact CG1-CZ 3.45Å; L1671-F1697 HydrophobicContact CB-CB 4.48Å; L1671-F1697 HydrophobicContact CB-CD1 4.13Å; L1671-F1697 HydrophobicContact CB-CG 4.16Å; L1671-F1697 HydrophobicContact CD2-CB 3.83Å; L1671-F1697 HydrophobicContact CD2-CD2 4.35Å; L1671-F1697 HydrophobicContact CD2-CG 4.14Å; C1674-F1697 HydrophobicContact CB-CD1 3.83Å; C1674-F1697 HydrophobicContact CB-CE1 4.29Å; I1676-F1697 HydrophobicContact CD1-CD1 4.48Å; I1676-F1697 HydrophobicContact CD1-CE1 3.64Å; I1676-F1697 HydrophobicContact CD1-CZ 3.81Å; I1676-F1697 HydrophobicContact CG1-CE1 4Å; I1676-F1697 HydrophobicContact CG1-CZ 4.4Å; F1697-L1707 HydrophobicContact CE2-CD1 4.16Å |
| 1698 | V | 90.6 | Very high | 88.5 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 32% | 0.315 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 94.4 | 171.6 | -170 | 0 | 0 | 0 | 0 | 108.9 | K1641 L1642 H1700 | K1641-V1698 HydrophobicContact CG-CG1 4.26Å; L1642-V1698 CarbonylContact O-C 3.32Å; L1642-V1698 WeakPolarHBondContact O-CA 3.37Å; V1698-H1700 PolarHBondContact O-ND1 2.84Å |
| 1699 | A | 90.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1642 V1644 L1671 D1704 | L1642-A1699 PolarHBondContact N-O 3.34Å; L1642-A1699 PolarHBondContact O-N 2.92Å; V1644-A1699 HydrophobicContact CG2-CB 3.77Å; L1671-A1699 HydrophobicContact CD2-CB 3.96Å; L1671-A1699 HydrophobicContact CG-CB 4.45Å; A1699-D1704 HydrophobicContact CB-CB 3.9Å |
| 1700 | H | 89 | Confident | 89.3 | Confident | 76 Ų | 76 | 33.9 Ų | 33.9 | 35% | 0.352 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 95.3 | 172.8 | -53.8 | 79.5 | 0 | 0 | 0 | 107.9 | F1640 K1641 V1698 M1703 D1704 | F1640-H1700 CarbonylContact O-C 3.56Å; F1640-H1700 WeakPolarHBondContact O-CA 3.33Å; K1641-H1700 VanDerWaalsContact CE-NE2 3.26Å; K1641-H1700 WeakPolarHBondContact CE-NE2 3.46Å; K1641-H1700 PolarHBondContact NZ-NE2 3.28Å; K1641-H1700 VanDerWaalsContact NZ-NE2 3.11Å; V1698-H1700 PolarHBondContact O-ND1 2.84Å; H1700-M1703 WeakPolarHBondContact O-CA 3.16Å; H1700-M1703 WeakPolarHBondContact O-CB 3.49Å; H1700-M1703 PolarHBondContact O-N 2.85Å; H1700-D1704 IonicContact CG-OD2 2.95Å; H1700-D1704 PolarHBondContact N-OD2 2.88Å; H1700-D1704 IonicContact ND1-OD2 3.18Å; H1700-D1704 PolarHBondContact ND1-OD2 2.78Å; H1700-D1704 PolarHBondContact O-N 3.24Å |
| 1701 | L | 87.3 | Confident | 89.7 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138.7 | 177.1 | -63.4 | -172.5 | 0 | 0 | 0 | 110 | K1639 F1640 L1642 I1730 E1731 F1734 | K1639-L1701 WeakPolarHBondContact CA-O 3.3Å; F1640-L1701 HydrophobicContact CB-CB 4.35Å; F1640-L1701 PolarHBondContact N-O 3.45Å; F1640-L1701 PolarHBondContact O-N 3.42Å; L1642-L1701 HydrophobicContact CD1-CD1 3.57Å; L1642-L1701 HydrophobicContact CD1-CG 3.99Å; L1642-L1701 HydrophobicContact CG-CD1 4.37Å; L1642-L1701 HydrophobicContact CG-CG 4.43Å; L1701-I1730 HydrophobicContact CD2-CG2 4.33Å; L1701-E1731 HydrophobicContact CD1-CB 4.18Å; L1701-E1731 HydrophobicContact CD1-CG 4.37Å; L1701-E1731 HydrophobicContact CD2-CB 4.13Å; L1701-F1734 HydrophobicContact CD1-CB 4.18Å; L1701-F1734 HydrophobicContact CD1-CD1 4.01Å; L1701-F1734 HydrophobicContact CD1-CG 4.2Å |
| 1702 | P | 80.7 | Confident | 89.8 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.4 | 0.7 | 6.3 | 35.4 | -36.8 | 0 | 0 | 0 | 115.9 | P1209 L1210 D1704 S1705 E1731 | P1209-P1702 HydrophobicContact CG-CB 4.49Å; P1209-P1702 HydrophobicContact CG-CG 4.03Å; L1210-P1702 HydrophobicContact CD1-CG 3.93Å; L1210-P1702 HydrophobicContact CD2-CG 3.96Å; L1210-P1702 HydrophobicContact CG-CG 3.75Å; P1702-D1704 PolarHBondContact O-N 2.92Å; P1702-S1705 WeakPolarHBondContact O-CB 3.33Å; P1702-S1705 PolarHBondContact O-OG 3.15Å; P1702-E1731 WeakPolarHBondContact CB-OE1 3.16Å |
| 1703 | M | 81.5 | Confident | 90.1 | Very high | 74 Ų | 74 | 31.9 Ų | 31.9 | 37% | 0.365 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -48.3 | -177.9 | -65.5 | -67.5 | -56.3 | 0 | 0 | 112.5 | P1209 H1700 S1705 | P1209-M1703 WeakPolarHBondContact CD-SD 3.25Å; P1209-M1703 HydrophobicContact CG-SD 4.06Å; H1700-M1703 WeakPolarHBondContact O-CA 3.16Å; H1700-M1703 WeakPolarHBondContact O-CB 3.49Å; H1700-M1703 PolarHBondContact O-N 2.85Å; M1703-S1705 PolarHBondContact O-N 2.88Å |
| 1704 | D | 86.5 | Confident | 90 | Very high | 22 Ų | 22 | 30 Ų | 30 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 58.4 | -173.3 | -52.6 | -44.1 | 0 | 0 | 0 | 109.9 | L1671 G1672 A1699 H1700 P1702 | L1671-D1704 VanDerWaalsContact CD1-O 3.31Å; L1671-D1704 WeakPolarHBondContact CD1-O 3.36Å; L1671-D1704 HydrophobicContact CG-CB 4.48Å; G1672-D1704 WeakPolarHBondContact CA-OD1 3.38Å; A1699-D1704 HydrophobicContact CB-CB 3.9Å; H1700-D1704 IonicContact CG-OD2 2.95Å; H1700-D1704 PolarHBondContact N-OD2 2.88Å; H1700-D1704 IonicContact ND1-OD2 3.18Å; H1700-D1704 PolarHBondContact ND1-OD2 2.78Å; H1700-D1704 PolarHBondContact O-N 3.24Å; P1702-D1704 PolarHBondContact O-N 2.92Å |
| 1705 | S | 86.3 | Confident | 89.5 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | trans | -96 | -25.3 | -169 | 42.8 | 0 | 0 | 0 | 0 | 115.7 | P1702 M1703 I1730 | P1702-S1705 WeakPolarHBondContact O-CB 3.33Å; P1702-S1705 PolarHBondContact O-OG 3.15Å; M1703-S1705 PolarHBondContact O-N 2.88Å; S1705-I1730 WeakPolarHBondContact O-CB 3.42Å; S1705-I1730 PolarHBondContact O-N 3.4Å | ||
| 1706 | L | 88.5 | Confident | 88.4 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 31% | 0.314 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.2 | 179.5 | -171.5 | 71.4 | 0 | 0 | 0 | 111.2 | W1173 L1671 H1727 | W1173-L1706 HydrophobicContact CH2-CD1 3.94Å; W1173-L1706 HydrophobicContact CZ3-CB 4.46Å; W1173-L1706 HydrophobicContact CZ3-CD1 3.64Å; W1173-L1706 HydrophobicContact CZ3-CD2 3.94Å; W1173-L1706 HydrophobicContact CZ3-CG 4.23Å; L1671-L1706 VanDerWaalsContact CD1-C 3.44Å; L1671-L1706 WeakPolarHBondContact CD1-O 3.12Å; L1706-H1727 HydrophobicContact CD1-CB 4.06Å |
| 1707 | L | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124 | 167.5 | 177.2 | 72 | 0 | 0 | 0 | 109 | L1646 V1669 S1670 L1671 F1697 I1709 H1727 I1728 I1730 I1859 | L1646-L1707 HydrophobicContact CB-CD2 4.33Å; L1646-L1707 HydrophobicContact CD1-CD2 4.23Å; L1646-L1707 HydrophobicContact CD2-CD2 4.38Å; V1669-L1707 HydrophobicContact CG1-CD1 3.73Å; S1670-L1707 WeakPolarHBondContact O-CA 3.28Å; L1671-L1707 HydrophobicContact CB-CD1 3.96Å; L1671-L1707 HydrophobicContact CD1-CB 4.12Å; L1671-L1707 HydrophobicContact CD2-CD1 4.42Å; F1697-L1707 HydrophobicContact CE2-CD1 4.16Å; L1707-I1709 HydrophobicContact CD2-CD1 4.02Å; L1707-I1709 HydrophobicContact CG-CD1 3.91Å; L1707-H1727 CarbonylContact O-C 3.59Å; L1707-H1727 WeakPolarHBondContact O-CA 3.42Å; L1707-I1728 HydrophobicContact CB-CB 4.4Å; L1707-I1728 HydrophobicContact CD2-CD1 4.43Å; L1707-I1728 PolarHBondContact N-O 2.86Å; L1707-I1728 PolarHBondContact O-N 3.3Å; L1707-I1730 HydrophobicContact CB-CD1 3.8Å; L1707-I1730 HydrophobicContact CB-CG1 3.8Å; L1707-I1730 HydrophobicContact CD2-CD1 4.08Å; L1707-I1859 HydrophobicContact CD2-CD1 3.53Å; L1707-I1859 HydrophobicContact CD2-CG1 4.39Å |
| 1708 | S | 91.9 | Very high | 86 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.5 | 174.3 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | V1669 S1670 H1727 | V1669-S1708 WeakPolarHBondContact CA-O 3.36Å; S1670-S1708 PolarHBondContact N-O 3.13Å; S1670-S1708 PolarHBondContact O-N 3.37Å; S1708-H1727 WeakPolarHBondContact CB-ND1 3.26Å; S1708-H1727 PolarHBondContact OG-CE1 2.91Å; S1708-H1727 PolarHBondContact OG-ND1 3.38Å |
| 1709 | I | 95.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 113.8 | 175.8 | -52.2 | 90.1 | 0 | 0 | 0 | 108.2 | L1646 L1667 V1669 L1707 E1725 T1726 I1728 L1855 | L1646-I1709 HydrophobicContact CD2-CD1 4.47Å; L1646-I1709 HydrophobicContact CD2-CG1 3.69Å; L1667-I1709 HydrophobicContact CD2-CG2 3.97Å; V1669-I1709 HydrophobicContact CG1-CG1 4.48Å; V1669-I1709 HydrophobicContact CG2-CG2 4.44Å; L1707-I1709 HydrophobicContact CD2-CD1 4.02Å; L1707-I1709 HydrophobicContact CG-CD1 3.91Å; I1709-E1725 CarbonylContact O-C 3.59Å; I1709-E1725 VanDerWaalsContact O-CA 3.25Å; I1709-E1725 WeakPolarHBondContact O-CA 3.44Å; I1709-T1726 HydrophobicContact CB-CG2 4.12Å; I1709-T1726 HydrophobicContact CD1-CG2 4.23Å; I1709-T1726 PolarHBondContact N-O 2.95Å; I1709-T1726 PolarHBondContact O-N 3.12Å; I1709-I1728 HydrophobicContact CD1-CD1 3.97Å; I1709-I1728 HydrophobicContact CD1-CG1 4.42Å; I1709-L1855 HydrophobicContact CG2-CD2 3.78Å |
| 1710 | Q | 93.8 | Very high | 85.1 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.6 | 178.6 | -51.7 | -172.9 | -52.1 | 0 | 0 | 110 | L1667 I1668 L1722 E1725 | L1667-Q1710 WeakPolarHBondContact CA-O 3.3Å; I1668-Q1710 HydrophobicContact CB-CB 4.34Å; I1668-Q1710 PolarHBondContact N-O 2.7Å; I1668-Q1710 PolarHBondContact O-N 2.86Å; Q1710-L1722 HydrophobicContact CB-CD1 4.14Å; Q1710-E1725 HydrophobicContact CB-CB 4.29Å; Q1710-E1725 HydrophobicContact CG-CB 3.89Å; Q1710-E1725 PolarHBondContact NE2-OE2 2.89Å |
| 1711 | M | 94.2 | Very high | 85 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115 | 172.8 | -170.2 | 71.4 | 58.8 | 0 | 0 | 108.2 | A1651 L1654 P1665 L1667 F1691 I1723 G1724 L1842 L1855 | A1651-M1711 HydrophobicContact CB-CE 3.83Å; L1654-M1711 HydrophobicContact CD1-CG 4.13Å; L1654-M1711 HydrophobicContact CD1-SD 4.19Å; L1654-M1711 HydrophobicContact CD2-CE 4.47Å; L1654-M1711 HydrophobicContact CD2-CG 4.01Å; P1665-M1711 HydrophobicContact CB-CG 4.49Å; P1665-M1711 HydrophobicContact CB-SD 3.95Å; L1667-M1711 HydrophobicContact CD2-CE 3.56Å; L1667-M1711 HydrophobicContact CD2-SD 4.05Å; L1667-M1711 HydrophobicContact CG-CE 4.48Å; F1691-M1711 HydrophobicContact CE2-CE 3.93Å; F1691-M1711 HydrophobicContact CE2-SD 4.34Å; F1691-M1711 HydrophobicContact CZ-CE 3.96Å; F1691-M1711 HydrophobicContact CZ-SD 3.77Å; M1711-I1723 HydrophobicContact CB-CB 4.34Å; M1711-I1723 HydrophobicContact CG-CB 4.16Å; M1711-I1723 HydrophobicContact CG-CD1 4.15Å; M1711-I1723 WeakPolarHBondContact O-CA 3.39Å; M1711-I1723 WeakPolarHBondContact O-CB 3.26Å; M1711-I1723 PolarHBondContact O-N 2.9Å; M1711-G1724 VanDerWaalsContact CB-O 3.28Å; M1711-G1724 WeakPolarHBondContact CB-O 3.33Å; M1711-G1724 PolarHBondContact N-O 2.7Å; M1711-G1724 PolarHBondContact O-N 3.18Å; M1711-L1842 HydrophobicContact CB-CD1 3.83Å; M1711-L1842 HydrophobicContact CE-CD1 4.08Å; M1711-L1842 HydrophobicContact CG-CD1 4.17Å; M1711-L1855 HydrophobicContact CE-CD1 3.65Å |
| 1712 | M | 93 | Very high | 85.1 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 153.8 | -177.5 | -63.5 | -61.7 | -59.5 | 0 | 0 | 110.2 | P1665 Y1666 I1668 D1720 T1721 L1722 | P1665-M1712 CarbonylContact C-O 3.58Å; P1665-M1712 WeakPolarHBondContact CA-O 3.5Å; Y1666-M1712 HydrophobicContact CD1-CB 3.79Å; Y1666-M1712 HydrophobicContact CD2-CB 4.01Å; Y1666-M1712 HydrophobicContact CE1-CB 3.36Å; Y1666-M1712 HydrophobicContact CE1-CG 4.4Å; Y1666-M1712 HydrophobicContact CE2-CB 3.59Å; Y1666-M1712 HydrophobicContact CE2-CG 3.87Å; Y1666-M1712 HydrophobicContact CG-CB 4.1Å; Y1666-M1712 PolarHBondContact N-O 2.95Å; Y1666-M1712 PolarHBondContact O-N 3.05Å; I1668-M1712 HydrophobicContact CD1-CG 3.73Å; I1668-M1712 HydrophobicContact CD1-SD 4.46Å; I1668-M1712 HydrophobicContact CG1-CG 3.92Å; M1712-D1720 HydrophobicContact CE-CB 4.07Å; M1712-D1720 WeakPolarHBondContact CE-O 3.48Å; M1712-T1721 CarbonylContact C-O 3.48Å; M1712-L1722 HydrophobicContact CE-CB 4.37Å; M1712-L1722 HydrophobicContact SD-CB 3.99Å; M1712-L1722 HydrophobicContact SD-CD1 3.58Å; M1712-L1722 VanDerWaalsContact SD-CD1 3.58Å; M1712-L1722 HydrophobicContact SD-CG 4.39Å |
| 1713 | D | 91.4 | Very high | 85.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.6 | 173.5 | -165.7 | 38.4 | 0 | 0 | 0 | 109.7 | T1657 S1663 D1664 E1715 D1720 T1721 I1723 | T1657-D1713 WeakPolarHBondContact CB-OD2 3.27Å; T1657-D1713 PolarHBondContact OG1-OD1 2.94Å; T1657-D1713 PolarHBondContact OG1-OD2 3.07Å; S1663-D1713 VanDerWaalsContact CA-OD1 3.3Å; S1663-D1713 WeakPolarHBondContact CA-OD1 3.15Å; S1663-D1713 WeakPolarHBondContact CB-OD1 3.5Å; D1664-D1713 PolarHBondContact N-OD1 2.88Å; D1713-E1715 PolarHBondContact O-N 3.2Å; D1713-D1720 CarbonylContact O-C 3.45Å; D1713-D1720 VanDerWaalsContact O-CA 3.3Å; D1713-D1720 WeakPolarHBondContact O-CA 3.42Å; D1713-D1720 VanDerWaalsContact O-CB 3.3Å; D1713-D1720 WeakPolarHBondContact O-CB 3.43Å; D1713-T1721 WeakPolarHBondContact CB-O 3.4Å; D1713-T1721 PolarHBondContact N-O 3.36Å; D1713-T1721 PolarHBondContact O-N 2.99Å; D1713-T1721 VanDerWaalsContact O-N 3.13Å; D1713-I1723 HydrophobicContact CB-CD1 3.96Å; D1713-I1723 HydrophobicContact CB-CG1 3.83Å |
| 1714 | H | 85.8 | Confident | 85.8 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | trans | -79.2 | 109.7 | -177.2 | -178.6 | 23 | 0 | 0 | 0 | 112.1 | D1664 Y1666 R1679 Y1682 D1720 | D1664-H1714 HydrophobicContact CB-CB 4.36Å; D1664-H1714 PolarHBondContact O-N 2.82Å; Y1666-H1714 HydrophobicContact CD1-CB 3.93Å; Y1666-H1714 HydrophobicContact CE1-CB 3.99Å; R1679-H1714 PolarHBondContact NH2-CE1 2.98Å; R1679-H1714 VanDerWaalsContact NH2-CE1 3.25Å; R1679-H1714 PolarHBondContact NH2-ND1 2.83Å; Y1682-H1714 AromaticContact CD1-CD2 3.61Å; Y1682-H1714 HydrophobicContact CD2-CB 4.21Å; Y1682-H1714 AromaticContact CE1-CD2 3.64Å; Y1682-H1714 HydrophobicContact CG-CB 4.04Å; Y1682-H1714 AromaticContact CG-CD2 3.86Å; Y1682-H1714 AromaticContact CZ-CD2 3.91Å; H1714-D1720 WeakPolarHBondContact CA-OD1 3.48Å; H1714-D1720 IonicContact CE1-OD1 3.04Å; H1714-D1720 IonicContact CG-OD1 3.47Å; H1714-D1720 IonicContact ND1-OD1 3.37Å; H1714-D1720 PolarHBondContact ND1-OD1 2.97Å | ||
| 1715 | E | 81.6 | Confident | 86.1 | Confident | 63 Ų | 63 | 41 Ų | 41 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | trans | -89.6 | 116.7 | 172.4 | -71.9 | -173.9 | -154.1 | 0 | 0 | 111.1 | D1713 V1717 D1720 T1721 | D1713-E1715 PolarHBondContact O-N 3.2Å; E1715-V1717 PolarHBondContact O-N 3.31Å; E1715-D1720 PolarHBondContact N-OD1 3.44Å; E1715-T1721 WeakPolarHBondContact OE1-CB 3.45Å; E1715-T1721 PolarHBondContact OE1-OG1 3.36Å | ||
| 1716 | R | 71.2 | Confident | 86.4 | Confident | 155 Ų | 155 | 41 Ų | 41 | 59% | 0.585 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.1 | 177 | -163.2 | -171.8 | -168 | 105.9 | 1.1 | 113.3 | E1968 | R1716-E1968 IonicContact CZ-OE1 2.94Å; R1716-E1968 IonicContact NH1-OE1 2.85Å; R1716-E1968 PolarHBondContact NH1-OE1 2.82Å; R1716-E1968 IonicContact NH1-OE2 2.73Å; R1716-E1968 IonicContact NH2-OE1 3.22Å; R1716-E1968 PolarHBondContact NH2-OE1 3.46Å |
| 1717 | V | 65.8 | Low | 86.5 | Confident | 138 Ų | 138 | 41.7 Ų | 41.7 | 84% | 0.836 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142.6 | 80.4 | -179.5 | -174 | 0 | 0 | 0 | 0 | 109.2 | E1715 | E1715-V1717 PolarHBondContact O-N 3.31Š|
| 1718 | G | 67.5 | Low | 86.4 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 171.2 | -150.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1719 | S | 75.6 | Confident | 86.4 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 67% | 0.671 | 23% | 0.233 | S | C | * | . | trans | -119.2 | 124.9 | 166.2 | 53.9 | 0 | 0 | 0 | 0 | 107.3 | T1721 | S1719-T1721 PolarHBondContact O-N 3.17Š| ||
| 1720 | D | 86.6 | Confident | 86.2 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -50.7 | 126.8 | -174.8 | -52.3 | -64.2 | 0 | 0 | 0 | 111.9 | Y1666 R1679 M1712 D1713 H1714 E1715 | Y1666-D1720 HydrophobicContact CE1-CB 4.09Å; Y1666-D1720 VanDerWaalsContact OH-CB 3.24Å; Y1666-D1720 WeakPolarHBondContact OH-CB 3.18Å; R1679-D1720 IonicContact CZ-OD1 3.45Å; R1679-D1720 IonicContact CZ-OD2 3.53Å; R1679-D1720 IonicContact NE-OD1 3.94Å; R1679-D1720 IonicContact NE-OD2 3.1Å; R1679-D1720 PolarHBondContact NE-OD2 3.1Å; R1679-D1720 VanDerWaalsContact NH2-CG 3.29Å; R1679-D1720 IonicContact NH2-OD1 2.7Å; R1679-D1720 PolarHBondContact NH2-OD1 3.42Å; R1679-D1720 IonicContact NH2-OD2 2.85Å; R1679-D1720 PolarHBondContact NH2-OD2 3.13Å; M1712-D1720 HydrophobicContact CE-CB 4.07Å; M1712-D1720 WeakPolarHBondContact CE-O 3.48Å; D1713-D1720 CarbonylContact O-C 3.45Å; D1713-D1720 VanDerWaalsContact O-CA 3.3Å; D1713-D1720 WeakPolarHBondContact O-CA 3.42Å; D1713-D1720 VanDerWaalsContact O-CB 3.3Å; D1713-D1720 WeakPolarHBondContact O-CB 3.43Å; H1714-D1720 WeakPolarHBondContact CA-OD1 3.48Å; H1714-D1720 IonicContact CE1-OD1 3.04Å; H1714-D1720 IonicContact CG-OD1 3.47Å; H1714-D1720 IonicContact ND1-OD1 3.37Å; H1714-D1720 PolarHBondContact ND1-OD1 2.97Å; E1715-D1720 PolarHBondContact N-OD1 3.44Å |
| 1721 | T | 86.4 | Confident | 86.1 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136 | -171.3 | -81.2 | 0 | 0 | 0 | 0 | 111 | T1657 M1712 D1713 E1715 S1719 I1723 | T1657-T1721 HydrophobicContact CG2-CG2 4.14Å; M1712-T1721 CarbonylContact C-O 3.48Å; D1713-T1721 WeakPolarHBondContact CB-O 3.4Å; D1713-T1721 PolarHBondContact N-O 3.36Å; D1713-T1721 PolarHBondContact O-N 2.99Å; D1713-T1721 VanDerWaalsContact O-N 3.13Å; E1715-T1721 WeakPolarHBondContact OE1-CB 3.45Å; E1715-T1721 PolarHBondContact OE1-OG1 3.36Å; S1719-T1721 PolarHBondContact O-N 3.17Å; T1721-I1723 PolarHBondContact O-N 3.11Å |
| 1722 | L | 89.5 | Confident | 85.8 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.5 | 175.3 | 177.3 | 64 | 0 | 0 | 0 | 110.1 | Q1710 M1712 H1844 P1845 | Q1710-L1722 HydrophobicContact CB-CD1 4.14Å; M1712-L1722 HydrophobicContact CE-CB 4.37Å; M1712-L1722 HydrophobicContact SD-CB 3.99Å; M1712-L1722 HydrophobicContact SD-CD1 3.58Å; M1712-L1722 VanDerWaalsContact SD-CD1 3.58Å; M1712-L1722 HydrophobicContact SD-CG 4.39Å; L1722-H1844 PolarHBondContact O-CD2 3.11Å; L1722-H1844 PolarHBondContact O-NE2 3.05Å; L1722-P1845 VanDerWaalsContact CD2-CD 3.46Å; L1722-P1845 HydrophobicContact CD2-CG 3.71Å |
| 1723 | I | 87.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -45.7 | 170.8 | -54.3 | -179.7 | 0 | 0 | 0 | 108.9 | L1654 H1655 T1657 P1665 M1711 D1713 T1721 Q1852 | L1654-I1723 HydrophobicContact CB-CG2 4.47Å; L1654-I1723 HydrophobicContact CD1-CD1 4.21Å; L1654-I1723 HydrophobicContact CD2-CG2 4.48Å; H1655-I1723 HydrophobicContact CB-CG2 4.38Å; T1657-I1723 HydrophobicContact CG2-CG1 4.32Å; P1665-I1723 HydrophobicContact CB-CD1 4.15Å; M1711-I1723 HydrophobicContact CB-CB 4.34Å; M1711-I1723 HydrophobicContact CG-CB 4.16Å; M1711-I1723 HydrophobicContact CG-CD1 4.15Å; M1711-I1723 WeakPolarHBondContact O-CA 3.39Å; M1711-I1723 WeakPolarHBondContact O-CB 3.26Å; M1711-I1723 PolarHBondContact O-N 2.9Å; D1713-I1723 HydrophobicContact CB-CD1 3.96Å; D1713-I1723 HydrophobicContact CB-CG1 3.83Å; T1721-I1723 PolarHBondContact O-N 3.11Å; I1723-Q1852 HydrophobicContact CG2-CB 4.28Å; I1723-Q1852 WeakPolarHBondContact O-CB 3.5Å; I1723-Q1852 WeakPolarHBondContact O-CG 3.44Å |
| 1724 | G | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | 168.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1711 K1843 | M1711-G1724 VanDerWaalsContact CB-O 3.28Å; M1711-G1724 WeakPolarHBondContact CB-O 3.33Å; M1711-G1724 PolarHBondContact N-O 2.7Å; M1711-G1724 PolarHBondContact O-N 3.18Å; G1724-K1843 CarbonylContact C-O 3.34Å; G1724-K1843 WeakPolarHBondContact CA-O 3.37Å |
| 1725 | E | 92.1 | Very high | 85.9 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 166.4 | -170.1 | 58.8 | 170.8 | -148.9 | 0 | 0 | 113.7 | I1709 Q1710 H1727 L1842 K1843 | I1709-E1725 CarbonylContact O-C 3.59Å; I1709-E1725 VanDerWaalsContact O-CA 3.25Å; I1709-E1725 WeakPolarHBondContact O-CA 3.44Å; Q1710-E1725 HydrophobicContact CB-CB 4.29Å; Q1710-E1725 HydrophobicContact CG-CB 3.89Å; Q1710-E1725 PolarHBondContact NE2-OE2 2.89Å; E1725-H1727 IonicContact OE1-CD2 2.69Å; E1725-H1727 IonicContact OE1-CE1 2.68Å; E1725-H1727 PolarHBondContact OE1-CE1 3Å; E1725-H1727 IonicContact OE1-NE2 2.63Å; E1725-H1727 PolarHBondContact OE1-NE2 3.26Å; E1725-H1727 IonicContact OE2-CE1 2.71Å; E1725-H1727 IonicContact OE2-NE2 3.02Å; E1725-L1842 WeakPolarHBondContact O-CA 3.31Å; E1725-K1843 PolarHBondContact N-O 3.49Å; E1725-K1843 PolarHBondContact O-N 2.81Å |
| 1726 | T | 92.5 | Very high | 86.2 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146.6 | 169.6 | -168 | 0 | 0 | 0 | 0 | 110 | I1709 R1840 L1842 | I1709-T1726 HydrophobicContact CB-CG2 4.12Å; I1709-T1726 HydrophobicContact CD1-CG2 4.23Å; I1709-T1726 PolarHBondContact N-O 2.95Å; I1709-T1726 PolarHBondContact O-N 3.12Å; T1726-R1840 HydrophobicContact CG2-CB 4.23Å; T1726-R1840 PolarHBondContact OG1-NE 3.27Å; T1726-R1840 VanDerWaalsContact OG1-NE 3.09Å; T1726-L1842 HydrophobicContact CG2-CD2 4.1Å |
| 1727 | H | 90.6 | Very high | 86.9 | Confident | 73 Ų | 73 | 31.3 Ų | 31.3 | 34% | 0.338 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.9 | -176.5 | -53.7 | -77.8 | 0 | 0 | 0 | 111 | L1706 L1707 S1708 E1725 R1840 | L1706-H1727 HydrophobicContact CD1-CB 4.06Å; L1707-H1727 CarbonylContact O-C 3.59Å; L1707-H1727 WeakPolarHBondContact O-CA 3.42Å; S1708-H1727 WeakPolarHBondContact CB-ND1 3.26Å; S1708-H1727 PolarHBondContact OG-CE1 2.91Å; S1708-H1727 PolarHBondContact OG-ND1 3.38Å; E1725-H1727 IonicContact OE1-CD2 2.69Å; E1725-H1727 IonicContact OE1-CE1 2.68Å; E1725-H1727 PolarHBondContact OE1-CE1 3Å; E1725-H1727 IonicContact OE1-NE2 2.63Å; E1725-H1727 PolarHBondContact OE1-NE2 3.26Å; E1725-H1727 IonicContact OE2-CE1 2.71Å; E1725-H1727 IonicContact OE2-NE2 3.02Å; H1727-R1840 PolarHBondContact O-NH2 2.65Å |
| 1728 | I | 92.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 129 | -176.9 | -60.9 | 170.7 | 0 | 0 | 0 | 110.1 | L1707 I1709 I1730 R1733 R1840 M1857 I1859 | L1707-I1728 HydrophobicContact CB-CB 4.4Å; L1707-I1728 HydrophobicContact CD2-CD1 4.43Å; L1707-I1728 PolarHBondContact N-O 2.86Å; L1707-I1728 PolarHBondContact O-N 3.3Å; I1709-I1728 HydrophobicContact CD1-CD1 3.97Å; I1709-I1728 HydrophobicContact CD1-CG1 4.42Å; I1728-I1730 HydrophobicContact CG2-CD1 4.09Å; I1728-I1730 PolarHBondContact O-N 3.29Å; I1728-R1733 VanDerWaalsContact CG2-NE 3.32Å; I1728-R1840 VanDerWaalsContact CG1-CZ 3.47Å; I1728-M1857 HydrophobicContact CD1-CE 3.63Å; I1728-M1857 HydrophobicContact CD1-SD 4.06Å; I1728-I1859 HydrophobicContact CB-CD1 4.46Å; I1728-I1859 HydrophobicContact CD1-CD1 3.68Å; I1728-I1859 HydrophobicContact CG2-CD1 3.93Å |
| 1729 | D | 90.8 | Very high | 89.3 | Confident | 20 Ų | 20 | 24.3 Ų | 24.3 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 101.1 | 173.4 | -170 | -33.9 | 0 | 0 | 0 | 110.3 | N1584 K1607 E1731 N1732 R1733 | N1584-D1729 PolarHBondContact ND2-OD2 3.45Å; K1607-D1729 VanDerWaalsContact CE-OD2 3.26Å; K1607-D1729 WeakPolarHBondContact CE-OD2 3.39Å; K1607-D1729 IonicContact NZ-OD1 3.9Å; K1607-D1729 PolarHBondContact NZ-OD1 2.97Å; K1607-D1729 IonicContact NZ-OD2 3.61Å; K1607-D1729 PolarHBondContact NZ-OD2 2.89Å; D1729-E1731 VanDerWaalsContact C-N 3.34Å; D1729-E1731 PolarHBondContact OD1-N 3.01Å; D1729-E1731 VanDerWaalsContact OD1-N 3.13Å; D1729-N1732 HydrophobicContact CB-CB 4.13Å; D1729-N1732 PolarHBondContact OD1-N 3.44Å; D1729-N1732 PolarHBondContact OD2-OD1 3.25Å; D1729-R1733 WeakPolarHBondContact O-CG 3.46Å; D1729-R1733 PolarHBondContact O-N 3.48Å |
| 1730 | I | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | -178.1 | -61.2 | -57.8 | 0 | 0 | 0 | 111 | V1644 L1671 L1701 S1705 L1707 I1728 F1734 I1859 M1861 | V1644-I1730 HydrophobicContact CG1-CD1 4.12Å; V1644-I1730 HydrophobicContact CG2-CG2 3.98Å; L1671-I1730 HydrophobicContact CD1-CG1 4.14Å; L1701-I1730 HydrophobicContact CD2-CG2 4.33Å; S1705-I1730 WeakPolarHBondContact O-CB 3.42Å; S1705-I1730 PolarHBondContact O-N 3.4Å; L1707-I1730 HydrophobicContact CB-CD1 3.8Å; L1707-I1730 HydrophobicContact CB-CG1 3.8Å; L1707-I1730 HydrophobicContact CD2-CD1 4.08Å; I1728-I1730 HydrophobicContact CG2-CD1 4.09Å; I1728-I1730 PolarHBondContact O-N 3.29Å; I1730-F1734 VanDerWaalsContact O-CB 3.28Å; I1730-F1734 WeakPolarHBondContact O-CB 3.48Å; I1730-F1734 PolarHBondContact O-N 3.47Å; I1730-I1859 HydrophobicContact CD1-CD1 3.74Å; I1730-M1861 HydrophobicContact CG2-SD 3.64Å |
| 1731 | E | 90.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.7 | -43.7 | -179.3 | -179.8 | -177.3 | -153.6 | 0 | 0 | 111.4 | W1170 F1582 K1607 L1701 P1702 D1729 F1734 H1735 | W1170-E1731 PolarHBondContact NE1-OE1 3.44Å; F1582-E1731 HydrophobicContact CE2-CG 4.09Å; K1607-E1731 VanDerWaalsContact CD-OE2 3.3Å; K1607-E1731 WeakPolarHBondContact CD-OE2 3.09Å; K1607-E1731 WeakPolarHBondContact CE-OE2 3.29Å; K1607-E1731 IonicContact NZ-OE2 2.65Å; K1607-E1731 PolarHBondContact NZ-OE2 2.94Å; L1701-E1731 HydrophobicContact CD1-CB 4.18Å; L1701-E1731 HydrophobicContact CD1-CG 4.37Å; L1701-E1731 HydrophobicContact CD2-CB 4.13Å; P1702-E1731 WeakPolarHBondContact CB-OE1 3.16Å; D1729-E1731 VanDerWaalsContact C-N 3.34Å; D1729-E1731 PolarHBondContact OD1-N 3.01Å; D1729-E1731 VanDerWaalsContact OD1-N 3.13Å; E1731-F1734 PolarHBondContact O-N 3.38Å; E1731-H1735 WeakPolarHBondContact O-CB 3.43Å; E1731-H1735 PolarHBondContact O-CD2 3.43Å; E1731-H1735 VanDerWaalsContact O-CD2 3.31Å; E1731-H1735 PolarHBondContact O-N 3.26Å |
| 1732 | N | 89.6 | Confident | 90.5 | Very high | 9 Ų | 9 | 16.8 Ų | 16.8 | 5% | 0.048 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 175.7 | -79.7 | 31.6 | 0 | 0 | 0 | 111.7 | F1582 N1584 K1607 D1729 S1736 | F1582-N1732 WeakPolarHBondContact CB-OD1 3.23Å; F1582-N1732 PolarHBondContact O-ND2 3.23Å; F1582-N1732 VanDerWaalsContact O-ND2 3.12Å; N1584-N1732 PolarHBondContact ND2-ND2 2.89Å; K1607-N1732 WeakPolarHBondContact CE-OD1 3.31Å; K1607-N1732 PolarHBondContact NZ-OD1 3.44Å; D1729-N1732 HydrophobicContact CB-CB 4.13Å; D1729-N1732 PolarHBondContact OD1-N 3.44Å; D1729-N1732 PolarHBondContact OD2-OD1 3.25Å; N1732-S1736 WeakPolarHBondContact O-CB 3.47Å; N1732-S1736 PolarHBondContact O-N 3.2Å |
| 1733 | R | 91.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.9 | -73.3 | -174 | 177.8 | -154 | 7 | 112.3 | E1570 F1578 I1728 D1729 S1736 A1740 E1838 R1840 M1861 | E1570-R1733 IonicContact OE1-CZ 3.47Å; E1570-R1733 IonicContact OE1-NE 3.72Å; E1570-R1733 PolarHBondContact OE1-NE 3.37Å; E1570-R1733 VanDerWaalsContact OE1-NE 3.1Å; E1570-R1733 IonicContact OE1-NH2 2.71Å; E1570-R1733 PolarHBondContact OE1-NH2 3.23Å; E1570-R1733 IonicContact OE2-NH2 3.4Å; F1578-R1733 HydrophobicContact CD2-CG 3.86Å; F1578-R1733 HydrophobicContact CE2-CG 3.91Å; I1728-R1733 VanDerWaalsContact CG2-NE 3.32Å; D1729-R1733 WeakPolarHBondContact O-CG 3.46Å; D1729-R1733 PolarHBondContact O-N 3.48Å; R1733-S1736 WeakPolarHBondContact O-CB 3.35Å; R1733-A1740 HydrophobicContact CB-CB 4.1Å; R1733-A1740 HydrophobicContact CG-CB 4.34Å; R1733-E1838 IonicContact CZ-OE1 3.6Å; R1733-E1838 IonicContact NH1-OE1 2.58Å; R1733-E1838 PolarHBondContact NH1-OE1 2.9Å; R1733-E1838 VanDerWaalsContact NH2-CD 3.33Å; R1733-E1838 IonicContact NH2-OE1 3.56Å; R1733-E1838 PolarHBondContact NH2-OE1 3.38Å; R1733-E1838 IonicContact NH2-OE2 2.78Å; R1733-E1838 PolarHBondContact NH2-OE2 3.1Å; R1733-E1838 VanDerWaalsContact NH2-OE2 3.1Å; R1733-R1840 VanDerWaalsContact NH2-NH1 3.13Å; R1733-M1861 HydrophobicContact CB-CE 3.55Å |
| 1734 | F | 91.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 15.6 Ų | 15.6 | 15% | 0.149 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 179.5 | -179.1 | -99.9 | 0 | 0 | 0 | 113 | F1640 L1642 L1701 I1730 E1731 S1736 T1741 M1861 | F1640-F1734 HydrophobicContact CB-CE1 4.44Å; F1640-F1734 AromaticContact CD1-CE1 3.69Å; F1640-F1734 HydrophobicContact CD1-CE1 3.69Å; F1640-F1734 AromaticContact CD1-CZ 3.66Å; F1640-F1734 HydrophobicContact CD1-CZ 3.66Å; F1640-F1734 AromaticContact CD2-CE1 3.8Å; F1640-F1734 HydrophobicContact CD2-CE1 3.8Å; F1640-F1734 AromaticContact CE1-CE1 3.7Å; F1640-F1734 HydrophobicContact CE1-CE1 3.7Å; F1640-F1734 AromaticContact CE1-CZ 3.74Å; F1640-F1734 HydrophobicContact CE1-CZ 3.74Å; F1640-F1734 AromaticContact CE2-CE1 3.84Å; F1640-F1734 HydrophobicContact CE2-CE1 3.84Å; F1640-F1734 AromaticContact CG-CE1 3.72Å; F1640-F1734 HydrophobicContact CG-CE1 3.72Å; F1640-F1734 HydrophobicContact CG-CZ 4.09Å; F1640-F1734 AromaticContact CZ-CE1 3.76Å; F1640-F1734 HydrophobicContact CZ-CE1 3.76Å; F1640-F1734 HydrophobicContact CZ-CZ 4.24Å; L1642-F1734 HydrophobicContact CD1-CB 4.31Å; L1642-F1734 HydrophobicContact CD1-CD1 4.44Å; L1642-F1734 HydrophobicContact CD1-CD2 3.61Å; L1642-F1734 HydrophobicContact CD1-CE2 4.03Å; L1642-F1734 HydrophobicContact CD1-CG 3.86Å; L1642-F1734 HydrophobicContact CD2-CD2 4.04Å; L1642-F1734 HydrophobicContact CD2-CE2 3.54Å; L1642-F1734 HydrophobicContact CD2-CZ 3.82Å; L1642-F1734 HydrophobicContact CG-CE2 4.46Å; L1701-F1734 HydrophobicContact CD1-CB 4.18Å; L1701-F1734 HydrophobicContact CD1-CD1 4.01Å; L1701-F1734 HydrophobicContact CD1-CG 4.2Å; I1730-F1734 VanDerWaalsContact O-CB 3.28Å; I1730-F1734 WeakPolarHBondContact O-CB 3.48Å; I1730-F1734 PolarHBondContact O-N 3.47Å; E1731-F1734 PolarHBondContact O-N 3.38Å; F1734-S1736 VanDerWaalsContact C-N 3.32Å; F1734-S1736 PolarHBondContact O-N 2.9Å; F1734-T1741 HydrophobicContact CB-CG2 4.47Å; F1734-T1741 HydrophobicContact CD2-CG2 3.65Å; F1734-T1741 HydrophobicContact CE2-CG2 4.3Å; F1734-T1741 HydrophobicContact CG-CG2 4.39Å; F1734-M1861 HydrophobicContact CB-SD 4.26Å |
| 1735 | H | 88.8 | Confident | 90.7 | Very high | 21 Ų | 21 | 15.6 Ų | 15.6 | 10% | 0.097 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -79.9 | -11.9 | -180 | -75.9 | -76.2 | 0 | 0 | 0 | 114.3 | P1581 F1582 P1635 F1640 E1731 | P1581-H1735 VanDerWaalsContact CD-O 3.29Å; P1581-H1735 WeakPolarHBondContact CD-O 3.35Å; P1581-H1735 HydrophobicContact CG-CB 3.96Å; F1582-H1735 HydrophobicContact CD2-CB 4.26Å; F1582-H1735 HydrophobicContact CE2-CB 3.82Å; F1582-H1735 AromaticContact CE2-CD2 3.75Å; F1582-H1735 AromaticContact CE2-CG 3.78Å; P1635-H1735 WeakPolarHBondContact CB-ND1 3.41Å; P1635-H1735 WeakPolarHBondContact CG-ND1 3.38Å; F1640-H1735 AromaticContact CE2-CE1 3.59Å; F1640-H1735 AromaticContact CE2-NE2 3.99Å; E1731-H1735 WeakPolarHBondContact O-CB 3.43Å; E1731-H1735 PolarHBondContact O-CD2 3.43Å; E1731-H1735 VanDerWaalsContact O-CD2 3.31Å; E1731-H1735 PolarHBondContact O-N 3.26Å |
| 1736 | S | 89.2 | Confident | 90.4 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 4% | 0.035 | 10% | 0.096 | C | C | . | . | trans | -50.7 | 134.9 | -177.6 | -173.9 | 0 | 0 | 0 | 0 | 114 | F1578 S1580 N1732 R1733 F1734 H1738 R1739 | F1578-S1736 WeakPolarHBondContact CD1-OG 3.43Å; S1580-S1736 WeakPolarHBondContact O-CA 3.42Å; N1732-S1736 WeakPolarHBondContact O-CB 3.47Å; N1732-S1736 PolarHBondContact O-N 3.2Å; R1733-S1736 WeakPolarHBondContact O-CB 3.35Å; F1734-S1736 VanDerWaalsContact C-N 3.32Å; F1734-S1736 PolarHBondContact O-N 2.9Å; S1736-H1738 PolarHBondContact O-N 2.98Å; S1736-H1738 VanDerWaalsContact O-N 3.12Å; S1736-H1738 PolarHBondContact OG-N 3.29Å; S1736-R1739 PolarHBondContact O-N 3.45Å; S1736-R1739 VanDerWaalsContact O-N 3.11Å | ||
| 1737 | A | 85.5 | Confident | 90.1 | Very high | 23 Ų | 23 | 22 Ų | 22 | 19% | 0.19 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1739 V1830 | A1737-R1739 VanDerWaalsContact C-N 3.32Å; A1737-V1830 HydrophobicContact CB-CG1 3.95Å; A1737-V1830 WeakPolarHBondContact O-CG1 3.43Å |
| 1738 | H | 91.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 20 Ų | 20 | 8% | 0.083 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 0.2 | 179.7 | -58.1 | -82.1 | 0 | 0 | 0 | 113.8 | D1574 F1575 F1578 S1736 K1831 L1832 V1833 | D1574-H1738 PolarHBondContact O-CE1 3.01Å; D1574-H1738 VanDerWaalsContact O-CE1 3.28Å; F1575-H1738 HydrophobicContact CD1-CB 4.07Å; F1575-H1738 AromaticContact CD1-CG 3.9Å; F1575-H1738 AromaticContact CD1-ND1 3.71Å; F1578-H1738 HydrophobicContact CD1-CB 4.35Å; F1578-H1738 HydrophobicContact CE1-CB 4.05Å; S1736-H1738 PolarHBondContact O-N 2.98Å; S1736-H1738 VanDerWaalsContact O-N 3.12Å; S1736-H1738 PolarHBondContact OG-N 3.29Å; H1738-K1831 WeakPolarHBondContact CB-O 3.49Å; H1738-K1831 PolarHBondContact ND1-O 2.72Å; H1738-L1832 CarbonylContact O-C 3.57Å; H1738-L1832 WeakPolarHBondContact O-CA 3.49Å; H1738-V1833 HydrophobicContact CB-CG2 4.23Å; H1738-V1833 PolarHBondContact O-N 3.2Å |
| 1739 | R | 92 | Very high | 89.8 | Confident | 30 Ų | 30 | 24 Ų | 24 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | trans | 54.2 | 53.1 | -179.6 | -163 | -167 | -173.1 | -88.9 | -2.6 | 112.7 | S1736 A1737 T1741 C1742 D1758 L1832 | S1736-R1739 PolarHBondContact O-N 3.45Å; S1736-R1739 VanDerWaalsContact O-N 3.11Å; A1737-R1739 VanDerWaalsContact C-N 3.32Å; R1739-T1741 PolarHBondContact O-N 3.12Å; R1739-C1742 PolarHBondContact NH1-O 2.84Å; R1739-D1758 IonicContact CZ-OD2 3.14Å; R1739-D1758 IonicContact NH1-OD2 2.9Å; R1739-D1758 PolarHBondContact NH1-OD2 3.31Å; R1739-D1758 IonicContact NH2-OD1 2.68Å; R1739-D1758 PolarHBondContact NH2-OD1 2.84Å; R1739-D1758 IonicContact NH2-OD2 2.77Å; R1739-D1758 PolarHBondContact NH2-OD2 3.41Å; R1739-L1832 HydrophobicContact CB-CD2 4.03Å | ||
| 1740 | A | 92 | Very high | 89.3 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 5% | 0.05 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 38.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1569 F1578 R1733 V1833 M1861 | L1569-A1740 HydrophobicContact CD2-CB 4.47Å; F1578-A1740 HydrophobicContact CD1-CB 4.41Å; F1578-A1740 HydrophobicContact CE1-CB 3.71Å; F1578-A1740 HydrophobicContact CE2-CB 4.02Å; F1578-A1740 HydrophobicContact CZ-CB 3.49Å; F1578-A1740 VanDerWaalsContact CZ-CB 3.49Å; R1733-A1740 HydrophobicContact CB-CB 4.1Å; R1733-A1740 HydrophobicContact CG-CB 4.34Å; A1740-V1833 HydrophobicContact CB-CG2 3.96Å; A1740-M1861 WeakPolarHBondContact O-CE 3.49Å |
| 1741 | T | 91 | Very high | 88.6 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 9% | 0.092 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -51.6 | -174.5 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | F1734 R1739 D1860 M1861 | F1734-T1741 HydrophobicContact CB-CG2 4.47Å; F1734-T1741 HydrophobicContact CD2-CG2 3.65Å; F1734-T1741 HydrophobicContact CE2-CG2 4.3Å; F1734-T1741 HydrophobicContact CG-CG2 4.39Å; R1739-T1741 PolarHBondContact O-N 3.12Å; T1741-D1860 CarbonylContact O-C 3.47Å; T1741-D1860 WeakPolarHBondContact O-CA 3.48Å; T1741-M1861 HydrophobicContact CG2-CB 4.43Å; T1741-M1861 HydrophobicContact CG2-CE 4.5Å; T1741-M1861 PolarHBondContact O-N 3.07Å |
| 1742 | C | 90.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -146.4 | 127.9 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 106.5 | R1739 D1758 | R1739-C1742 PolarHBondContact NH1-O 2.84Å; C1742-D1758 WeakPolarHBondContact CB-OD2 3.31Å |
| 1743 | G | 90.3 | Very high | 87.1 | Confident | 9 Ų | 9 | 31.7 Ų | 31.7 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 133.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1745 V1833 S1834 | G1743-M1745 PolarHBondContact O-N 3.41Å; G1743-V1833 WeakPolarHBondContact CA-O 3.38Å; G1743-S1834 WeakPolarHBondContact CA-O 3.26Å |
| 1744 | L | 92.4 | Very high | 86.5 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -65.8 | 116.8 | 179.1 | -63.7 | 176.3 | 0 | 0 | 0 | 111.7 | W1756 L1816 L1819 L1832 V1833 S1834 E1835 | L1744-W1756 HydrophobicContact CD2-CH2 4.15Å; L1744-L1816 HydrophobicContact CB-CD1 4.45Å; L1744-L1816 HydrophobicContact CD2-CD1 4.45Å; L1744-L1819 HydrophobicContact CD1-CB 3.9Å; L1744-L1819 HydrophobicContact CD2-CD1 4.21Å; L1744-L1832 HydrophobicContact CD1-CB 3.66Å; L1744-L1832 HydrophobicContact CD1-CD1 3.89Å; L1744-L1832 HydrophobicContact CD1-CG 4.43Å; L1744-V1833 PolarHBondContact N-O 2.91Å; L1744-S1834 CarbonylContact O-C 3.6Å; L1744-S1834 WeakPolarHBondContact O-CA 3.32Å; L1744-E1835 PolarHBondContact O-N 2.84Å |
| 1745 | M | 89.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 149.9 | 178.9 | -61.1 | -171.2 | 65.8 | 0 | 0 | 111.9 | G1743 K1747 C1754 W1756 K1757 H1820 E1835 | G1743-M1745 PolarHBondContact O-N 3.41Å; M1745-K1747 VanDerWaalsContact C-N 3.26Å; M1745-K1747 WeakPolarHBondContact CB-O 3.28Å; M1745-K1747 PolarHBondContact O-N 3.37Å; M1745-C1754 HydrophobicContact CE-CB 4.48Å; M1745-C1754 WeakPolarHBondContact CE-O 3.1Å; M1745-W1756 HydrophobicContact CB-CE3 4.16Å; M1745-W1756 HydrophobicContact CB-CZ3 3.93Å; M1745-W1756 HydrophobicContact CG-CE3 4.21Å; M1745-W1756 HydrophobicContact CG-CZ3 4.21Å; M1745-W1756 HydrophobicContact SD-CE3 4.21Å; M1745-K1757 HydrophobicContact CE-CD 4.48Å; M1745-K1757 HydrophobicContact SD-CB 4.31Å; M1745-K1757 HydrophobicContact SD-CD 3.9Å; M1745-K1757 HydrophobicContact SD-CG 3.84Å; M1745-H1820 PolarHBondContact O-CE1 2.94Å; M1745-H1820 PolarHBondContact O-NE2 3.31Å; M1745-E1835 HydrophobicContact CG-CB 4.24Å; M1745-E1835 HydrophobicContact CG-CG 4.47Å |
| 1746 | P | 85.2 | Confident | 86.2 | Confident | 71 Ų | 71 | 34.9 Ų | 34.9 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -67.9 | -23.8 | -177.1 | 27.3 | -35.3 | 0 | 0 | 0 | 113.5 | E1835 | P1746-E1835 WeakPolarHBondContact CD-OE2 3.32Š|
| 1747 | K | 86.9 | Confident | 86.1 | Confident | 112 Ų | 112 | 35.8 Ų | 35.8 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -143.3 | 165.4 | 168.9 | -52.5 | -166.5 | -159.2 | 84.3 | 0 | 110.2 | E1560 M1745 Y1749 | E1560-K1747 IonicContact OE1-NZ 3.36Å; E1560-K1747 PolarHBondContact OE1-NZ 2.92Å; M1745-K1747 VanDerWaalsContact C-N 3.26Å; M1745-K1747 WeakPolarHBondContact CB-O 3.28Å; M1745-K1747 PolarHBondContact O-N 3.37Å; K1747-Y1749 HydrophobicContact CB-CD2 4.41Å; K1747-Y1749 HydrophobicContact CB-CE2 3.81Å |
| 1748 | Y | 89 | Confident | 86.3 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | trans | -92.4 | 129.6 | 174.9 | -179.8 | -94.5 | 0 | 0 | 0 | 111.4 | A1750 W1756 Q1761 P1762 I1800 E1812 | Y1748-A1750 HydrophobicContact CE1-CB 4.21Å; Y1748-W1756 HydrophobicContact CD2-CB 4.14Å; Y1748-W1756 HydrophobicContact CD2-CD2 4.01Å; Y1748-W1756 AromaticContact CD2-CE3 3.96Å; Y1748-W1756 HydrophobicContact CD2-CE3 3.96Å; Y1748-W1756 HydrophobicContact CD2-CG 4.09Å; Y1748-W1756 HydrophobicContact CE2-CB 3.84Å; Y1748-W1756 HydrophobicContact CE2-CD2 4.19Å; Y1748-W1756 AromaticContact CE2-CG 3.84Å; Y1748-W1756 HydrophobicContact CE2-CG 3.84Å; Y1748-Q1761 VanDerWaalsContact CE2-OE1 3.29Å; Y1748-Q1761 PolarHBondContact OH-OE1 3.05Å; Y1748-P1762 HydrophobicContact CD2-CG 3.78Å; Y1748-P1762 HydrophobicContact CE2-CG 4.21Å; Y1748-I1800 HydrophobicContact CD1-CD1 4.3Å; Y1748-I1800 HydrophobicContact CD1-CG2 4.37Å; Y1748-I1800 HydrophobicContact CE1-CD1 3.89Å; Y1748-E1812 HydrophobicContact CD1-CB 3.84Å; Y1748-E1812 HydrophobicContact CD2-CB 3.77Å; Y1748-E1812 HydrophobicContact CD2-CG 4.48Å; Y1748-E1812 HydrophobicContact CE1-CB 3.9Å; Y1748-E1812 HydrophobicContact CE1-CG 4.15Å; Y1748-E1812 HydrophobicContact CE2-CB 3.81Å; Y1748-E1812 HydrophobicContact CE2-CG 4.01Å; Y1748-E1812 HydrophobicContact CG-CB 3.76Å | ||
| 1749 | Y | 86 | Confident | 86.1 | Confident | 83 Ų | 83 | 35.7 Ų | 35.7 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | trans | -131 | 130.4 | 171 | -67 | -94.7 | 0 | 0 | 0 | 109.7 | E1560 K1747 H1751 C1754 W1756 | E1560-Y1749 PolarHBondContact OE1-OH 2.85Å; E1560-Y1749 WeakPolarHBondContact OE2-CE2 3.4Å; K1747-Y1749 HydrophobicContact CB-CD2 4.41Å; K1747-Y1749 HydrophobicContact CB-CE2 3.81Å; Y1749-H1751 VanDerWaalsContact C-N 3.34Å; Y1749-C1754 WeakPolarHBondContact CB-O 3.49Å; Y1749-C1754 HydrophobicContact CD1-CB 4.46Å; Y1749-C1754 HydrophobicContact CD2-CB 3.64Å; Y1749-C1754 HydrophobicContact CE2-CB 4.05Å; Y1749-C1754 HydrophobicContact CG-CB 3.89Å; Y1749-W1756 PolarHBondContact O-N 3.46Å | ||
| 1750 | A | 80.7 | Confident | 86 | Confident | 37 Ų | 37 | 36.1 Ų | 36.1 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77.8 | -17.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1748 Q1755 I1800 | Y1748-A1750 HydrophobicContact CE1-CB 4.21Å; A1750-Q1755 PolarHBondContact O-NE2 2.88Å; A1750-I1800 HydrophobicContact CB-CD1 4.47Å |
| 1751 | H | 78 | Confident | 86 | Confident | 64 Ų | 64 | 39 Ų | 39 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -158.5 | 174.9 | -174.5 | 63.2 | 90.6 | 0 | 0 | 0 | 111.6 | Y1749 R1801 N1802 E1803 | Y1749-H1751 VanDerWaalsContact C-N 3.34Å; H1751-R1801 PolarHBondContact CD2-O 2.7Å; H1751-R1801 PolarHBondContact NE2-O 2.74Å; H1751-N1802 VanDerWaalsContact CD2-C 3.41Å; H1751-N1802 PolarHBondContact CE1-O 2.97Å; H1751-N1802 PolarHBondContact NE2-O 3.47Å; H1751-E1803 PolarHBondContact CD2-N 2.65Å |
| 1752 | G | 73.9 | Confident | 86.2 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 50% | 0.495 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 82 | -173.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1754 Q1755 | G1752-C1754 PolarHBondContact O-N 2.94Å; G1752-C1754 VanDerWaalsContact O-N 3.13Å; G1752-Q1755 WeakPolarHBondContact O-CB 3.42Å; G1752-Q1755 PolarHBondContact O-N 2.61Å |
| 1753 | Y | 73.6 | Confident | 86.4 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.4 | -177.1 | 77.7 | -70 | 0 | 0 | 0 | 115.2 | L1407 A1410 D1411 R1415 W1558 V1559 | L1407-Y1753 HydrophobicContact CD2-CE1 4.29Å; A1410-Y1753 HydrophobicContact CB-CD1 3.35Å; A1410-Y1753 HydrophobicContact CB-CD2 3.94Å; A1410-Y1753 HydrophobicContact CB-CE1 3.6Å; A1410-Y1753 HydrophobicContact CB-CE2 4.13Å; A1410-Y1753 HydrophobicContact CB-CG 3.56Å; A1410-Y1753 WeakPolarHBondContact O-CB 3.45Å; D1411-Y1753 WeakPolarHBondContact O-CD2 3.19Å; R1415-Y1753 HydrophobicContact CG-CD2 3.84Å; R1415-Y1753 HydrophobicContact CG-CE2 3.52Å; W1558-Y1753 HydrophobicContact CZ3-CE1 4.11Å; W1558-Y1753 AromaticContact CZ3-CZ 3.92Å; W1558-Y1753 PolarHBondContact O-OH 3.04Å; V1559-Y1753 WeakPolarHBondContact CA-OH 3.42Å |
| 1754 | C | 79.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 11.5 | 169.9 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | E1560 M1745 Y1749 G1752 W1756 | E1560-C1754 PolarHBondContact OE2-SG 3.4Å; M1745-C1754 HydrophobicContact CE-CB 4.48Å; M1745-C1754 WeakPolarHBondContact CE-O 3.1Å; Y1749-C1754 WeakPolarHBondContact CB-O 3.49Å; Y1749-C1754 HydrophobicContact CD1-CB 4.46Å; Y1749-C1754 HydrophobicContact CD2-CB 3.64Å; Y1749-C1754 HydrophobicContact CE2-CB 4.05Å; Y1749-C1754 HydrophobicContact CG-CB 3.89Å; G1752-C1754 PolarHBondContact O-N 2.94Å; G1752-C1754 VanDerWaalsContact O-N 3.13Å; C1754-W1756 PolarHBondContact O-N 3.39Å |
| 1755 | Q | 84.5 | Confident | 86.5 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | trans | -50.7 | 140.2 | -178.4 | -177.3 | 170.4 | 38 | 0 | 0 | 112.1 | A1750 G1752 K1757 | A1750-Q1755 PolarHBondContact O-NE2 2.88Å; G1752-Q1755 WeakPolarHBondContact O-CB 3.42Å; G1752-Q1755 PolarHBondContact O-N 2.61Å; Q1755-K1757 WeakPolarHBondContact O-CG 3.48Å; Q1755-K1757 PolarHBondContact O-N 3.41Å | ||
| 1756 | W | 88.4 | Confident | 86.7 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 8% | 0.076 | 23% | 0.226 | C | C | . | . | trans | -52.4 | 130.1 | 177.9 | -176.4 | -103.3 | 0 | 0 | 0 | 112.4 | L1744 M1745 Y1748 Y1749 C1754 D1758 Q1760 P1762 I1765 L1816 | L1744-W1756 HydrophobicContact CD2-CH2 4.15Å; M1745-W1756 HydrophobicContact CB-CE3 4.16Å; M1745-W1756 HydrophobicContact CB-CZ3 3.93Å; M1745-W1756 HydrophobicContact CG-CE3 4.21Å; M1745-W1756 HydrophobicContact CG-CZ3 4.21Å; M1745-W1756 HydrophobicContact SD-CE3 4.21Å; Y1748-W1756 HydrophobicContact CD2-CB 4.14Å; Y1748-W1756 HydrophobicContact CD2-CD2 4.01Å; Y1748-W1756 AromaticContact CD2-CE3 3.96Å; Y1748-W1756 HydrophobicContact CD2-CE3 3.96Å; Y1748-W1756 HydrophobicContact CD2-CG 4.09Å; Y1748-W1756 HydrophobicContact CE2-CB 3.84Å; Y1748-W1756 HydrophobicContact CE2-CD2 4.19Å; Y1748-W1756 AromaticContact CE2-CG 3.84Å; Y1748-W1756 HydrophobicContact CE2-CG 3.84Å; Y1749-W1756 PolarHBondContact O-N 3.46Å; C1754-W1756 PolarHBondContact O-N 3.39Å; W1756-D1758 HydrophobicContact CZ2-CB 3.78Å; W1756-Q1760 PolarHBondContact NE1-O 3.02Å; W1756-P1762 HydrophobicContact CD2-CG 4.27Å; W1756-P1762 HydrophobicContact CE3-CG 4.33Å; W1756-P1762 HydrophobicContact CH2-CG 3.83Å; W1756-P1762 HydrophobicContact CZ2-CG 3.74Å; W1756-P1762 HydrophobicContact CZ3-CG 4.11Å; W1756-I1765 HydrophobicContact CZ2-CD1 3.84Å; W1756-L1816 HydrophobicContact CH2-CD1 3.83Å; W1756-L1816 HydrophobicContact CZ3-CD1 3.8Å; W1756-L1816 HydrophobicContact CZ3-CD2 4.04Å | ||
| 1757 | K | 87 | Confident | 87 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 10% | 0.1 | 21% | 0.214 | C | C | . | . | trans | -102.3 | -13.4 | -165.6 | -67.2 | 170.8 | 168.9 | -173.9 | 0 | 115.3 | M1745 Q1755 E1835 P1870 I1873 | M1745-K1757 HydrophobicContact CE-CD 4.48Å; M1745-K1757 HydrophobicContact SD-CB 4.31Å; M1745-K1757 HydrophobicContact SD-CD 3.9Å; M1745-K1757 HydrophobicContact SD-CG 3.84Å; Q1755-K1757 WeakPolarHBondContact O-CG 3.48Å; Q1755-K1757 PolarHBondContact O-N 3.41Å; K1757-E1835 WeakPolarHBondContact CE-OE1 3.38Å; K1757-E1835 IonicContact NZ-OE1 3.47Å; K1757-E1835 PolarHBondContact NZ-OE1 2.72Å; K1757-P1870 VanDerWaalsContact O-CG 3.27Å; K1757-P1870 WeakPolarHBondContact O-CG 3.47Å; K1757-I1873 HydrophobicContact CD-CD1 3.7Å; K1757-I1873 HydrophobicContact CD-CG1 4.47Å; K1757-I1873 VanDerWaalsContact CE-CD1 3.48Å; K1757-I1873 HydrophobicContact CG-CD1 4.18Å | ||
| 1758 | D | 89.4 | Confident | 87.2 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -85.1 | 148.4 | 180 | -157 | -62.6 | 0 | 0 | 0 | 110.1 | R1739 C1742 W1756 Q1760 I1765 | R1739-D1758 IonicContact CZ-OD2 3.14Å; R1739-D1758 IonicContact NH1-OD2 2.9Å; R1739-D1758 PolarHBondContact NH1-OD2 3.31Å; R1739-D1758 IonicContact NH2-OD1 2.68Å; R1739-D1758 PolarHBondContact NH2-OD1 2.84Å; R1739-D1758 IonicContact NH2-OD2 2.77Å; R1739-D1758 PolarHBondContact NH2-OD2 3.41Å; C1742-D1758 WeakPolarHBondContact CB-OD2 3.31Å; W1756-D1758 HydrophobicContact CZ2-CB 3.78Å; D1758-Q1760 PolarHBondContact O-N 3.4Å; D1758-Q1760 PolarHBondContact OD1-N 3.19Å; D1758-I1765 HydrophobicContact CB-CD1 4.35Å |
| 1759 | S | 88 | Confident | 87.2 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -75.6 | -14.5 | 176.7 | 64 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1760 | Q | 90.9 | Very high | 87.4 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -104.9 | 145.4 | 169 | -73.9 | 164.8 | 87.4 | 0 | 0 | 110.5 | W1756 D1758 E1764 I1765 N1768 V1866 | W1756-Q1760 PolarHBondContact NE1-O 3.02Å; D1758-Q1760 PolarHBondContact O-N 3.4Å; D1758-Q1760 PolarHBondContact OD1-N 3.19Å; Q1760-E1764 VanDerWaalsContact CA-OE2 3.29Å; Q1760-E1764 WeakPolarHBondContact CA-OE2 3.49Å; Q1760-E1764 HydrophobicContact CB-CB 4.3Å; Q1760-I1765 HydrophobicContact CB-CD1 4.19Å; Q1760-I1765 HydrophobicContact CB-CG1 3.61Å; Q1760-N1768 PolarHBondContact OE1-ND2 3.43Å; Q1760-V1866 HydrophobicContact CG-CG1 4.42Å |
| 1761 | Q | 91.5 | Very high | 87.7 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | trans | -74 | 152.3 | 171.9 | -60.3 | -59.8 | -39.3 | 0 | 0 | 111.2 | Y1748 T1763 E1764 I1765 | Y1748-Q1761 VanDerWaalsContact CE2-OE1 3.29Å; Y1748-Q1761 PolarHBondContact OH-OE1 3.05Å; Q1761-T1763 PolarHBondContact O-N 3.14Å; Q1761-T1763 VanDerWaalsContact O-N 3.15Å; Q1761-E1764 HydrophobicContact CB-CG 4.23Å; Q1761-E1764 PolarHBondContact N-OE2 3.34Å; Q1761-E1764 WeakPolarHBondContact O-CB 3.48Å; Q1761-E1764 PolarHBondContact O-N 2.94Å; Q1761-I1765 WeakPolarHBondContact O-CG1 3.26Å; Q1761-I1765 PolarHBondContact O-N 3.43Å | ||
| 1762 | P | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -46.6 | -42.4 | 176 | -31.3 | 36 | 0 | 0 | 0 | 114.9 | Y1748 W1756 E1764 I1765 L1766 E1812 A1815 L1816 L1819 | Y1748-P1762 HydrophobicContact CD2-CG 3.78Å; Y1748-P1762 HydrophobicContact CE2-CG 4.21Å; W1756-P1762 HydrophobicContact CD2-CG 4.27Å; W1756-P1762 HydrophobicContact CE3-CG 4.33Å; W1756-P1762 HydrophobicContact CH2-CG 3.83Å; W1756-P1762 HydrophobicContact CZ2-CG 3.74Å; W1756-P1762 HydrophobicContact CZ3-CG 4.11Å; P1762-E1764 PolarHBondContact O-N 3.06Å; P1762-I1765 PolarHBondContact O-N 2.86Å; P1762-L1766 WeakPolarHBondContact O-CB 3.38Å; P1762-L1766 PolarHBondContact O-N 3.03Å; P1762-E1812 HydrophobicContact CB-CB 4.41Å; P1762-E1812 WeakPolarHBondContact CB-OE2 3.43Å; P1762-E1812 WeakPolarHBondContact CD-OE2 3.44Å; P1762-E1812 HydrophobicContact CG-CB 4.14Å; P1762-A1815 VanDerWaalsContact C-CB 3.5Å; P1762-A1815 HydrophobicContact CB-CB 3.81Å; P1762-L1816 HydrophobicContact CB-CB 4.12Å; P1762-L1816 HydrophobicContact CG-CB 4.31Å; P1762-L1819 HydrophobicContact CB-CD1 4.32Å |
| 1763 | T | 94.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.4 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | Q1761 A1767 Y1780 V1811 E1812 | Q1761-T1763 PolarHBondContact O-N 3.14Å; Q1761-T1763 VanDerWaalsContact O-N 3.15Å; T1763-A1767 WeakPolarHBondContact O-CB 3.42Å; T1763-A1767 PolarHBondContact O-N 2.96Å; T1763-Y1780 HydrophobicContact CG2-CE2 4.19Å; T1763-V1811 WeakPolarHBondContact OG1-CG2 3.47Å; T1763-E1812 WeakPolarHBondContact CB-OE1 3.44Å; T1763-E1812 WeakPolarHBondContact CB-OE2 3.27Å; T1763-E1812 PolarHBondContact N-OE2 3.18Å; T1763-E1812 PolarHBondContact OG1-OE1 3.16Å; T1763-E1812 PolarHBondContact OG1-OE2 2.93Å |
| 1764 | E | 92.8 | Very high | 88.7 | Confident | 96 Ų | 96 | 47.9 Ų | 47.9 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.8 | -44.6 | 179.4 | -59.6 | 174.9 | 143.3 | 0 | 0 | 111 | Q1760 Q1761 P1762 L1766 A1767 N1768 | Q1760-E1764 VanDerWaalsContact CA-OE2 3.29Å; Q1760-E1764 WeakPolarHBondContact CA-OE2 3.49Å; Q1760-E1764 HydrophobicContact CB-CB 4.3Å; Q1761-E1764 HydrophobicContact CB-CG 4.23Å; Q1761-E1764 PolarHBondContact N-OE2 3.34Å; Q1761-E1764 WeakPolarHBondContact O-CB 3.48Å; Q1761-E1764 PolarHBondContact O-N 2.94Å; P1762-E1764 PolarHBondContact O-N 3.06Å; E1764-L1766 VanDerWaalsContact C-N 3.3Å; E1764-L1766 PolarHBondContact O-N 3.07Å; E1764-A1767 PolarHBondContact O-N 3.18Å; E1764-N1768 VanDerWaalsContact O-CB 3.28Å; E1764-N1768 WeakPolarHBondContact O-CB 3.4Å; E1764-N1768 PolarHBondContact O-N 2.91Å; E1764-N1768 PolarHBondContact O-ND2 3.32Å |
| 1765 | I | 92.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 176.8 | -62.2 | 166.4 | 0 | 0 | 0 | 110 | W1756 D1758 Q1760 Q1761 P1762 N1768 L1769 L1819 | W1756-I1765 HydrophobicContact CZ2-CD1 3.84Å; D1758-I1765 HydrophobicContact CB-CD1 4.35Å; Q1760-I1765 HydrophobicContact CB-CD1 4.19Å; Q1760-I1765 HydrophobicContact CB-CG1 3.61Å; Q1761-I1765 WeakPolarHBondContact O-CG1 3.26Å; Q1761-I1765 PolarHBondContact O-N 3.43Å; P1762-I1765 PolarHBondContact O-N 2.86Å; I1765-N1768 PolarHBondContact O-N 3.44Å; I1765-L1769 HydrophobicContact CG2-CD1 4.12Å; I1765-L1769 WeakPolarHBondContact O-CB 3.2Å; I1765-L1769 WeakPolarHBondContact O-CG 3.23Å; I1765-L1769 PolarHBondContact O-N 3.27Å; I1765-L1819 HydrophobicContact CB-CD1 4.1Å; I1765-L1819 HydrophobicContact CG2-CD1 3.95Å; I1765-L1819 HydrophobicContact CG2-CD2 3.95Å |
| 1766 | L | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | -179.8 | -175.9 | 62 | 0 | 0 | 0 | 112.2 | P1762 E1764 N1768 L1769 C1770 P1778 I1787 I1789 A1815 A1818 L1819 W1822 | P1762-L1766 WeakPolarHBondContact O-CB 3.38Å; P1762-L1766 PolarHBondContact O-N 3.03Å; E1764-L1766 VanDerWaalsContact C-N 3.3Å; E1764-L1766 PolarHBondContact O-N 3.07Å; L1766-N1768 VanDerWaalsContact C-N 3.33Å; L1766-N1768 PolarHBondContact O-N 3.48Å; L1766-L1769 PolarHBondContact O-N 3.04Å; L1766-C1770 PolarHBondContact O-N 3.46Å; L1766-P1778 HydrophobicContact CD2-CB 4.05Å; L1766-P1778 HydrophobicContact CD2-CG 4.12Å; L1766-P1778 HydrophobicContact CG-CG 4.19Å; L1766-I1787 HydrophobicContact CD2-CD1 3.55Å; L1766-I1789 HydrophobicContact CD1-CD1 4.1Å; L1766-I1789 HydrophobicContact CD2-CD1 4.03Å; L1766-I1789 HydrophobicContact CG-CD1 4.43Å; L1766-A1815 HydrophobicContact CB-CB 4.48Å; L1766-A1815 HydrophobicContact CD2-CB 3.95Å; L1766-A1818 HydrophobicContact CD1-CB 4.31Å; L1766-A1818 HydrophobicContact CD2-CB 3.82Å; L1766-L1819 HydrophobicContact CB-CD2 4.08Å; L1766-L1819 HydrophobicContact CB-CG 4.22Å; L1766-L1819 HydrophobicContact CD1-CD2 3.87Å; L1766-L1819 HydrophobicContact CD1-CG 4.23Å; L1766-W1822 HydrophobicContact CD1-CE3 4.21Å; L1766-W1822 HydrophobicContact CD1-CZ3 3.94Å |
| 1767 | A | 92.1 | Very high | 89.4 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1763 E1764 K1771 Q1777 | T1763-A1767 WeakPolarHBondContact O-CB 3.42Å; T1763-A1767 PolarHBondContact O-N 2.96Å; E1764-A1767 PolarHBondContact O-N 3.18Å; A1767-K1771 VanDerWaalsContact O-CB 3.28Å; A1767-K1771 WeakPolarHBondContact O-CB 3.35Å; A1767-K1771 PolarHBondContact O-N 3.05Å; A1767-Q1777 PolarHBondContact O-NE2 3.32Å |
| 1768 | N | 89.7 | Confident | 89.7 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 175.6 | -77.9 | -28 | 0 | 0 | 0 | 112.3 | Q1760 E1764 I1765 L1766 K1772 | Q1760-N1768 PolarHBondContact OE1-ND2 3.43Å; E1764-N1768 VanDerWaalsContact O-CB 3.28Å; E1764-N1768 WeakPolarHBondContact O-CB 3.4Å; E1764-N1768 PolarHBondContact O-N 2.91Å; E1764-N1768 PolarHBondContact O-ND2 3.32Å; I1765-N1768 PolarHBondContact O-N 3.44Å; L1766-N1768 VanDerWaalsContact C-N 3.33Å; L1766-N1768 PolarHBondContact O-N 3.48Å; N1768-K1772 WeakPolarHBondContact O-CB 3.44Å; N1768-K1772 PolarHBondContact O-N 2.83Å |
| 1769 | L | 89.3 | Confident | 89.9 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 174 | -75.5 | 175.6 | 0 | 0 | 0 | 112.2 | I1765 L1766 K1771 K1772 Y1773 L1819 W1822 L1832 | I1765-L1769 HydrophobicContact CG2-CD1 4.12Å; I1765-L1769 WeakPolarHBondContact O-CB 3.2Å; I1765-L1769 WeakPolarHBondContact O-CG 3.23Å; I1765-L1769 PolarHBondContact O-N 3.27Å; L1766-L1769 PolarHBondContact O-N 3.04Å; L1769-K1771 VanDerWaalsContact C-N 3.29Å; L1769-K1771 PolarHBondContact O-N 3.33Å; L1769-K1772 PolarHBondContact O-N 2.83Å; L1769-K1772 VanDerWaalsContact O-N 3.16Å; L1769-Y1773 HydrophobicContact CD2-CE2 4.15Å; L1769-Y1773 WeakPolarHBondContact O-CD2 3.46Å; L1769-Y1773 PolarHBondContact O-N 3.14Å; L1769-L1819 HydrophobicContact CD1-CD2 3.66Å; L1769-W1822 HydrophobicContact CB-CH2 3.65Å; L1769-W1822 HydrophobicContact CB-CZ2 3.86Å; L1769-W1822 HydrophobicContact CB-CZ3 4.11Å; L1769-W1822 HydrophobicContact CD1-CD2 4.48Å; L1769-L1832 HydrophobicContact CD1-CD1 3.88Å |
| 1770 | C | 90.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 173.3 | -76.2 | 0 | 0 | 0 | 0 | 111.2 | L1766 K1772 Y1773 G1774 I1775 E1776 | L1766-C1770 PolarHBondContact O-N 3.46Å; C1770-K1772 PolarHBondContact O-N 3.16Å; C1770-Y1773 PolarHBondContact O-N 3.04Å; C1770-G1774 PolarHBondContact O-N 3.13Å; C1770-I1775 HydrophobicContact CB-CB 4.28Å; C1770-I1775 PolarHBondContact O-N 3.3Å; C1770-E1776 PolarHBondContact SG-O 3.33Å; C1770-E1776 VanDerWaalsContact SG-O 3.4Å |
| 1771 | K | 87.1 | Confident | 90.1 | Very high | 161 Ų | 161 | 60.9 Ų | 60.9 | 70% | 0.7 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61 | -42 | 175.6 | -172.4 | 177.2 | 179.1 | -178.9 | 0 | 112.8 | A1767 L1769 | A1767-K1771 VanDerWaalsContact O-CB 3.28Å; A1767-K1771 WeakPolarHBondContact O-CB 3.35Å; A1767-K1771 PolarHBondContact O-N 3.05Å; L1769-K1771 VanDerWaalsContact C-N 3.29Å; L1769-K1771 PolarHBondContact O-N 3.33Å |
| 1772 | K | 83 | Confident | 89.9 | Confident | 145 Ų | 145 | 60.8 Ų | 60.8 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66 | -36.6 | 178.1 | -178.3 | 180 | 177.7 | -176.4 | 0 | 112.7 | N1768 L1769 C1770 | N1768-K1772 WeakPolarHBondContact O-CB 3.44Å; N1768-K1772 PolarHBondContact O-N 2.83Å; L1769-K1772 PolarHBondContact O-N 2.83Å; L1769-K1772 VanDerWaalsContact O-N 3.16Å; C1770-K1772 PolarHBondContact O-N 3.16Å |
| 1773 | Y | 82.4 | Confident | 89.2 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 30% | 0.302 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -96 | 1 | -176.7 | -77 | -95.6 | 0 | 0 | 0 | 114.2 | L1769 C1770 I1775 W1822 | L1769-Y1773 HydrophobicContact CD2-CE2 4.15Å; L1769-Y1773 WeakPolarHBondContact O-CD2 3.46Å; L1769-Y1773 PolarHBondContact O-N 3.14Å; C1770-Y1773 PolarHBondContact O-N 3.04Å; Y1773-I1775 VanDerWaalsContact C-N 3.32Å; Y1773-W1822 AromaticContact CD2-CZ2 3.68Å; Y1773-W1822 HydrophobicContact CD2-CZ2 3.68Å; Y1773-W1822 HydrophobicContact CE2-CZ2 4.09Å; Y1773-W1822 HydrophobicContact CG-CZ2 4.06Å |
| 1774 | G | 81 | Confident | 88.9 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 75% | 0.753 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 25.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | C1770 | C1770-G1774 PolarHBondContact O-N 3.13Š|
| 1775 | I | 87.8 | Confident | 88.8 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -94.8 | 149.1 | -178.2 | -58.2 | 172.9 | 0 | 0 | 0 | 109 | C1770 Y1773 I1789 W1822 I1825 T1826 | C1770-I1775 HydrophobicContact CB-CB 4.28Å; C1770-I1775 PolarHBondContact O-N 3.3Å; Y1773-I1775 VanDerWaalsContact C-N 3.32Å; I1775-I1789 HydrophobicContact CG2-CG2 3.73Å; I1775-W1822 HydrophobicContact CD1-CH2 4.02Å; I1775-W1822 HydrophobicContact CD1-CZ2 4.4Å; I1775-I1825 HydrophobicContact CD1-CG2 4.22Å; I1775-I1825 HydrophobicContact CG2-CG2 4.37Å; I1775-T1826 HydrophobicContact CD1-CG2 4.1Å |
| 1776 | E | 87.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 72 Ų | 72 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 144.1 | 174.7 | -65.4 | -175.5 | 161 | 0 | 0 | 112 | C1770 G1790 | C1770-E1776 PolarHBondContact SG-O 3.33Å; C1770-E1776 VanDerWaalsContact SG-O 3.4Å; E1776-G1790 WeakPolarHBondContact OE2-CA 3.39Å |
| 1777 | Q | 92.8 | Very high | 88.9 | Confident | 92 Ų | 92 | 72 Ų | 72 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 142.7 | -179.6 | -71.5 | -67.2 | -37.9 | 0 | 0 | 110.9 | A1767 V1779 | A1767-Q1777 PolarHBondContact O-NE2 3.32Å; Q1777-V1779 PolarHBondContact O-N 3.09Å |
| 1778 | P | 93.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 130.4 | -174.7 | 23.5 | -33.4 | 0 | 0 | 0 | 113 | L1766 Y1780 I1787 I1789 | L1766-P1778 HydrophobicContact CD2-CB 4.05Å; L1766-P1778 HydrophobicContact CD2-CG 4.12Å; L1766-P1778 HydrophobicContact CG-CG 4.19Å; P1778-Y1780 HydrophobicContact CB-CE2 3.81Å; P1778-Y1780 HydrophobicContact CG-CE2 3.75Å; P1778-Y1780 WeakPolarHBondContact CG-OH 3.46Å; P1778-I1787 HydrophobicContact CB-CD1 3.8Å; P1778-I1787 HydrophobicContact CB-CG1 4.07Å; P1778-I1789 HydrophobicContact CB-CD1 4.42Å; P1778-I1789 HydrophobicContact CB-CG1 4Å |
| 1779 | V | 92 | Very high | 88.8 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 115.5 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | Q1777 I1787 T1788 | Q1777-V1779 PolarHBondContact O-N 3.09Å; V1779-I1787 CarbonylContact O-C 3.57Å; V1779-I1787 WeakPolarHBondContact O-CA 3.43Å; V1779-T1788 PolarHBondContact N-O 2.82Å; V1779-T1788 PolarHBondContact O-N 3.45Å |
| 1780 | Y | 93.5 | Very high | 88.6 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.1 | -177.9 | -59.3 | -90 | 0 | 0 | 0 | 111.9 | T1763 P1778 I1787 V1811 L1814 A1815 | T1763-Y1780 HydrophobicContact CG2-CE2 4.19Å; P1778-Y1780 HydrophobicContact CB-CE2 3.81Å; P1778-Y1780 HydrophobicContact CG-CE2 3.75Å; P1778-Y1780 WeakPolarHBondContact CG-OH 3.46Å; Y1780-I1787 HydrophobicContact CD1-CB 4.36Å; Y1780-I1787 HydrophobicContact CD1-CD1 3.89Å; Y1780-I1787 HydrophobicContact CD1-CG1 3.99Å; Y1780-I1787 HydrophobicContact CE1-CD1 3.36Å; Y1780-I1787 HydrophobicContact CE1-CG1 3.97Å; Y1780-V1811 HydrophobicContact CD1-CB 3.81Å; Y1780-V1811 HydrophobicContact CD1-CG1 3.94Å; Y1780-V1811 HydrophobicContact CE1-CB 4.13Å; Y1780-V1811 HydrophobicContact CG-CB 4.27Å; Y1780-V1811 HydrophobicContact CG-CG1 3.98Å; Y1780-L1814 HydrophobicContact CD1-CB 4.25Å; Y1780-L1814 HydrophobicContact CD1-CD1 4.4Å; Y1780-L1814 HydrophobicContact CE1-CB 4.45Å; Y1780-A1815 HydrophobicContact CE1-CB 4.01Å |
| 1781 | N | 89.7 | Confident | 88.3 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 96.4 | 167.3 | -172.1 | -15.9 | 0 | 0 | 0 | 110 | L1783 E1784 N1785 K1786 | N1781-L1783 PolarHBondContact O-N 3.43Å; N1781-L1783 PolarHBondContact OD1-N 3.5Å; N1781-L1783 VanDerWaalsContact OD1-N 3.11Å; N1781-E1784 HydrophobicContact CB-CB 4.19Å; N1781-E1784 VanDerWaalsContact ND2-CG 3.27Å; N1781-E1784 WeakPolarHBondContact ND2-CG 3.13Å; N1781-E1784 PolarHBondContact ND2-OE1 3.43Å; N1781-E1784 PolarHBondContact ND2-OE2 3.01Å; N1781-E1784 VanDerWaalsContact ND2-OE2 3.16Å; N1781-E1784 PolarHBondContact O-N 2.93Å; N1781-E1784 PolarHBondContact OD1-N 3.19Å; N1781-E1784 VanDerWaalsContact OD1-N 3.15Å; N1781-N1785 PolarHBondContact O-N 3.42Å; N1781-N1785 VanDerWaalsContact O-N 3.14Å; N1781-K1786 PolarHBondContact N-O 3.14Å; N1781-K1786 PolarHBondContact O-N 2.94Å |
| 1782 | I | 86.9 | Confident | 88.4 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29 | -179.1 | -62.7 | 168.6 | 0 | 0 | 0 | 112.1 | N1785 T1798 K1809 V1811 | I1782-N1785 PolarHBondContact O-OD1 2.88Å; I1782-T1798 HydrophobicContact CG2-CG2 4.31Å; I1782-T1798 PolarHBondContact O-OG1 2.67Å; I1782-K1809 HydrophobicContact CG2-CB 3.85Å; I1782-K1809 HydrophobicContact CG2-CD 3.8Å; I1782-K1809 HydrophobicContact CG2-CG 4.44Å; I1782-V1811 HydrophobicContact CD1-CG1 3.68Å; I1782-V1811 HydrophobicContact CG1-CG1 3.55Å |
| 1783 | L | 81.9 | Confident | 88.8 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 80% | 0.801 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -33.9 | -177.9 | -60.1 | -179.6 | 0 | 0 | 0 | 112.1 | N1781 N1785 | N1781-L1783 PolarHBondContact O-N 3.43Å; N1781-L1783 PolarHBondContact OD1-N 3.5Å; N1781-L1783 VanDerWaalsContact OD1-N 3.11Å; L1783-N1785 VanDerWaalsContact C-N 3.35Å |
| 1784 | E | 86.4 | Confident | 89.3 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -2.6 | 173.6 | -73.6 | 176.2 | -170.2 | 0 | 0 | 113.8 | N1781 K1786 | N1781-E1784 HydrophobicContact CB-CB 4.19Å; N1781-E1784 VanDerWaalsContact ND2-CG 3.27Å; N1781-E1784 WeakPolarHBondContact ND2-CG 3.13Å; N1781-E1784 PolarHBondContact ND2-OE1 3.43Å; N1781-E1784 PolarHBondContact ND2-OE2 3.01Å; N1781-E1784 VanDerWaalsContact ND2-OE2 3.16Å; N1781-E1784 PolarHBondContact O-N 2.93Å; N1781-E1784 PolarHBondContact OD1-N 3.19Å; N1781-E1784 VanDerWaalsContact OD1-N 3.15Å; E1784-K1786 VanDerWaalsContact C-N 3.26Å; E1784-K1786 HydrophobicContact CB-CB 3.93Å; E1784-K1786 PolarHBondContact O-N 3.25Å |
| 1785 | N | 91.7 | Very high | 89.9 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 44 | -170.1 | -78.5 | -18.7 | 0 | 0 | 0 | 111.8 | N1781 I1782 L1783 F1795 A1796 T1798 L1814 | N1781-N1785 PolarHBondContact O-N 3.42Å; N1781-N1785 VanDerWaalsContact O-N 3.14Å; I1782-N1785 PolarHBondContact O-OD1 2.88Å; L1783-N1785 VanDerWaalsContact C-N 3.35Å; N1785-F1795 WeakPolarHBondContact O-CA 3.48Å; N1785-F1795 WeakPolarHBondContact O-CB 3.26Å; N1785-F1795 WeakPolarHBondContact O-CD1 3.44Å; N1785-A1796 WeakPolarHBondContact CB-O 3.33Å; N1785-A1796 PolarHBondContact O-N 2.68Å; N1785-T1798 WeakPolarHBondContact OD1-CB 3.36Å; N1785-T1798 VanDerWaalsContact OD1-CG2 3.25Å; N1785-T1798 WeakPolarHBondContact OD1-CG2 3.36Å; N1785-T1798 PolarHBondContact OD1-N 3.47Å; N1785-T1798 PolarHBondContact OD1-OG1 3.22Å; N1785-L1814 VanDerWaalsContact C-CD2 3.45Å; N1785-L1814 VanDerWaalsContact O-CD2 3.31Å; N1785-L1814 WeakPolarHBondContact O-CD2 3.17Å |
| 1786 | K | 92.6 | Very high | 89.9 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 22% | 0.222 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145 | -169 | -173.1 | -172.9 | 177 | -157.9 | 0 | 113.1 | N1781 E1784 T1788 S1793 F1794 F1795 | N1781-K1786 PolarHBondContact N-O 3.14Å; N1781-K1786 PolarHBondContact O-N 2.94Å; E1784-K1786 VanDerWaalsContact C-N 3.26Å; E1784-K1786 HydrophobicContact CB-CB 3.93Å; E1784-K1786 PolarHBondContact O-N 3.25Å; K1786-T1788 WeakPolarHBondContact CE-OG1 3.13Å; K1786-T1788 PolarHBondContact NZ-OG1 3.01Å; K1786-S1793 VanDerWaalsContact CE-CB 3.47Å; K1786-F1794 WeakPolarHBondContact CA-O 3.23Å; K1786-F1795 HydrophobicContact CB-CD1 3.77Å; K1786-F1795 HydrophobicContact CB-CE1 3.66Å; K1786-F1795 HydrophobicContact CB-CZ 4.44Å; K1786-F1795 HydrophobicContact CD-CE1 3.73Å; K1786-F1795 HydrophobicContact CD-CZ 3.79Å; K1786-F1795 HydrophobicContact CG-CD1 3.94Å; K1786-F1795 HydrophobicContact CG-CE1 3.53Å; K1786-F1795 HydrophobicContact CG-CE2 4.43Å; K1786-F1795 HydrophobicContact CG-CZ 3.8Å |
| 1787 | I | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.6 | 165.2 | -172.6 | 177.5 | 0 | 0 | 0 | 109.9 | L1766 P1778 V1779 Y1780 I1789 S1793 F1794 L1814 A1818 | L1766-I1787 HydrophobicContact CD2-CD1 3.55Å; P1778-I1787 HydrophobicContact CB-CD1 3.8Å; P1778-I1787 HydrophobicContact CB-CG1 4.07Å; V1779-I1787 CarbonylContact O-C 3.57Å; V1779-I1787 WeakPolarHBondContact O-CA 3.43Å; Y1780-I1787 HydrophobicContact CD1-CB 4.36Å; Y1780-I1787 HydrophobicContact CD1-CD1 3.89Å; Y1780-I1787 HydrophobicContact CD1-CG1 3.99Å; Y1780-I1787 HydrophobicContact CE1-CD1 3.36Å; Y1780-I1787 HydrophobicContact CE1-CG1 3.97Å; I1787-I1789 HydrophobicContact CD1-CD1 4.24Å; I1787-I1789 HydrophobicContact CG1-CG1 4.37Å; I1787-S1793 CarbonylContact O-C 3.57Å; I1787-S1793 WeakPolarHBondContact O-CA 3.42Å; I1787-S1793 VanDerWaalsContact O-CB 3.28Å; I1787-S1793 WeakPolarHBondContact O-CB 3.32Å; I1787-F1794 HydrophobicContact CG2-CB 3.77Å; I1787-F1794 HydrophobicContact CG2-CD2 4.28Å; I1787-F1794 PolarHBondContact N-O 2.79Å; I1787-F1794 PolarHBondContact O-N 3.3Å; I1787-L1814 HydrophobicContact CB-CB 4.09Å; I1787-L1814 HydrophobicContact CG2-CB 4.23Å; I1787-A1818 HydrophobicContact CD1-CB 4.08Å; I1787-A1818 HydrophobicContact CG2-CB 4.34Å |
| 1788 | T | 90.8 | Very high | 89.5 | Confident | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.2 | 177.5 | -46.6 | 0 | 0 | 0 | 0 | 110.2 | V1779 K1786 E1792 | V1779-T1788 PolarHBondContact N-O 2.82Å; V1779-T1788 PolarHBondContact O-N 3.45Å; K1786-T1788 WeakPolarHBondContact CE-OG1 3.13Å; K1786-T1788 PolarHBondContact NZ-OG1 3.01Å; T1788-E1792 WeakPolarHBondContact CA-O 3.27Å |
| 1789 | I | 90.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 101.3 | -176.7 | -55.2 | 168 | 0 | 0 | 0 | 107.5 | L1766 I1775 P1778 I1787 N1791 E1792 A1818 I1825 | L1766-I1789 HydrophobicContact CD1-CD1 4.1Å; L1766-I1789 HydrophobicContact CD2-CD1 4.03Å; L1766-I1789 HydrophobicContact CG-CD1 4.43Å; I1775-I1789 HydrophobicContact CG2-CG2 3.73Å; P1778-I1789 HydrophobicContact CB-CD1 4.42Å; P1778-I1789 HydrophobicContact CB-CG1 4Å; I1787-I1789 HydrophobicContact CD1-CD1 4.24Å; I1787-I1789 HydrophobicContact CG1-CG1 4.37Å; I1789-N1791 PolarHBondContact O-N 2.99Å; I1789-E1792 PolarHBondContact N-O 2.93Å; I1789-E1792 PolarHBondContact O-N 2.96Å; I1789-E1792 VanDerWaalsContact O-N 3.15Å; I1789-A1818 HydrophobicContact CD1-CB 3.73Å; I1789-I1825 HydrophobicContact CD1-CD1 3.68Å; I1789-I1825 HydrophobicContact CG2-CG2 3.85Å |
| 1790 | G | 83.2 | Confident | 88.6 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -121.2 | -166 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1776 | E1776-G1790 WeakPolarHBondContact OE2-CA 3.39Š|
| 1791 | N | 84.2 | Confident | 87.8 | Confident | 158 Ų | 158 | 65 Ų | 65 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11 | -178.2 | -68.3 | -15.6 | 0 | 0 | 0 | 114.8 | I1789 | I1789-N1791 PolarHBondContact O-N 2.99Š|
| 1792 | E | 89.4 | Confident | 87 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146.3 | -178.3 | -53.3 | -56 | 150.2 | 0 | 0 | 110.8 | T1788 I1789 F1794 K1827 | T1788-E1792 WeakPolarHBondContact CA-O 3.27Å; I1789-E1792 PolarHBondContact N-O 2.93Å; I1789-E1792 PolarHBondContact O-N 2.96Å; I1789-E1792 VanDerWaalsContact O-N 3.15Å; E1792-F1794 HydrophobicContact CB-CE2 4.04Å; E1792-F1794 HydrophobicContact CB-CZ 4.06Å; E1792-K1827 VanDerWaalsContact OE1-CE 3.24Å; E1792-K1827 WeakPolarHBondContact OE1-CE 3.45Å; E1792-K1827 IonicContact OE1-NZ 3.94Å; E1792-K1827 PolarHBondContact OE1-NZ 2.82Å |
| 1793 | S | 90.9 | Very high | 86.1 | Confident | 49 Ų | 49 | 69 Ų | 69 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 135.2 | 177.6 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | K1786 I1787 | K1786-S1793 VanDerWaalsContact CE-CB 3.47Å; I1787-S1793 CarbonylContact O-C 3.57Å; I1787-S1793 WeakPolarHBondContact O-CA 3.42Å; I1787-S1793 VanDerWaalsContact O-CB 3.28Å; I1787-S1793 WeakPolarHBondContact O-CB 3.32Å |
| 1794 | F | 93 | Very high | 85.5 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 161.8 | -174.8 | -50.6 | -84.3 | 0 | 0 | 0 | 110.9 | K1786 I1787 E1792 E1817 A1818 N1821 L1824 I1825 | K1786-F1794 WeakPolarHBondContact CA-O 3.23Å; I1787-F1794 HydrophobicContact CG2-CB 3.77Å; I1787-F1794 HydrophobicContact CG2-CD2 4.28Å; I1787-F1794 PolarHBondContact N-O 2.79Å; I1787-F1794 PolarHBondContact O-N 3.3Å; E1792-F1794 HydrophobicContact CB-CE2 4.04Å; E1792-F1794 HydrophobicContact CB-CZ 4.06Å; F1794-E1817 HydrophobicContact CB-CG 4.04Å; F1794-A1818 HydrophobicContact CD2-CB 3.92Å; F1794-A1818 HydrophobicContact CE2-CB 4.38Å; F1794-N1821 HydrophobicContact CD1-CB 3.95Å; F1794-N1821 HydrophobicContact CE1-CB 3.38Å; F1794-N1821 HydrophobicContact CZ-CB 3.8Å; F1794-L1824 HydrophobicContact CE1-CD1 4.46Å; F1794-I1825 HydrophobicContact CE2-CD1 3.78Å; F1794-I1825 HydrophobicContact CE2-CG1 3.69Å; F1794-I1825 HydrophobicContact CZ-CD1 4.23Å; F1794-I1825 HydrophobicContact CZ-CG1 3.82Å |
| 1795 | F | 93.1 | Very high | 84.6 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 55% | 0.553 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 130.2 | -174.5 | -61.3 | -99 | 0 | 0 | 0 | 110.8 | N1785 K1786 | N1785-F1795 WeakPolarHBondContact O-CA 3.48Å; N1785-F1795 WeakPolarHBondContact O-CB 3.26Å; N1785-F1795 WeakPolarHBondContact O-CD1 3.44Å; K1786-F1795 HydrophobicContact CB-CD1 3.77Å; K1786-F1795 HydrophobicContact CB-CE1 3.66Å; K1786-F1795 HydrophobicContact CB-CZ 4.44Å; K1786-F1795 HydrophobicContact CD-CE1 3.73Å; K1786-F1795 HydrophobicContact CD-CZ 3.79Å; K1786-F1795 HydrophobicContact CG-CD1 3.94Å; K1786-F1795 HydrophobicContact CG-CE1 3.53Å; K1786-F1795 HydrophobicContact CG-CE2 4.43Å; K1786-F1795 HydrophobicContact CG-CZ 3.8Å |
| 1796 | A | 88.1 | Confident | 83.8 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | trans | -148.5 | 156.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1785 T1798 P1813 L1814 E1817 | N1785-A1796 WeakPolarHBondContact CB-O 3.33Å; N1785-A1796 PolarHBondContact O-N 2.68Å; A1796-T1798 PolarHBondContact O-N 2.87Å; A1796-P1813 HydrophobicContact CB-CB 4.36Å; A1796-P1813 WeakPolarHBondContact CB-O 3.49Å; A1796-L1814 HydrophobicContact CB-CD2 3.97Å; A1796-L1814 VanDerWaalsContact N-CD2 3.35Å; A1796-L1814 WeakPolarHBondContact O-CD2 3.03Å; A1796-E1817 HydrophobicContact CB-CB 4.05Å; A1796-E1817 HydrophobicContact CB-CG 4.47Å | ||
| 1797 | N | 85.6 | Confident | 83 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -69.8 | 122.1 | 179 | -173.1 | 22.1 | 0 | 0 | 0 | 110.8 | E1799 P1813 | N1797-E1799 VanDerWaalsContact C-N 3.31Å; N1797-E1799 PolarHBondContact OD1-N 3.09Å; N1797-P1813 VanDerWaalsContact O-CB 3.28Å; N1797-P1813 WeakPolarHBondContact O-CB 3.21Å; N1797-P1813 WeakPolarHBondContact O-CG 3.29Å | ||
| 1798 | T | 87.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -78.8 | -13.2 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | I1782 N1785 A1796 I1800 K1809 S1810 L1814 | I1782-T1798 HydrophobicContact CG2-CG2 4.31Å; I1782-T1798 PolarHBondContact O-OG1 2.67Å; N1785-T1798 WeakPolarHBondContact OD1-CB 3.36Å; N1785-T1798 VanDerWaalsContact OD1-CG2 3.25Å; N1785-T1798 WeakPolarHBondContact OD1-CG2 3.36Å; N1785-T1798 PolarHBondContact OD1-N 3.47Å; N1785-T1798 PolarHBondContact OD1-OG1 3.22Å; A1796-T1798 PolarHBondContact O-N 2.87Å; T1798-I1800 PolarHBondContact O-N 3.43Å; T1798-K1809 CarbonylContact O-C 3.21Å; T1798-K1809 WeakPolarHBondContact O-CA 3.33Å; T1798-S1810 WeakPolarHBondContact CA-O 3.47Å; T1798-S1810 VanDerWaalsContact CB-O 3.22Å; T1798-S1810 WeakPolarHBondContact CB-O 3.13Å; T1798-S1810 WeakPolarHBondContact CG2-O 3.12Å; T1798-S1810 PolarHBondContact O-N 2.75Å; T1798-L1814 HydrophobicContact CG2-CD1 3.59Å; T1798-L1814 HydrophobicContact CG2-CG 3.95Å | ||
| 1799 | E | 85.1 | Confident | 82.2 | Confident | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 108.5 | -177.9 | -74.9 | 171 | -156.7 | 0 | 0 | 111.8 | N1797 T1807 I1808 K1809 | N1797-E1799 VanDerWaalsContact C-N 3.31Å; N1797-E1799 PolarHBondContact OD1-N 3.09Å; E1799-T1807 HydrophobicContact CB-CG2 3.64Å; E1799-T1807 HydrophobicContact CG-CG2 3.91Å; E1799-I1808 WeakPolarHBondContact CA-O 3.35Å; E1799-K1809 HydrophobicContact CG-CG 4.03Å; E1799-K1809 WeakPolarHBondContact OE1-CE 3.47Å; E1799-K1809 IonicContact OE1-NZ 2.8Å; E1799-K1809 PolarHBondContact OE1-NZ 3.49Å |
| 1800 | I | 81.4 | Confident | 82.1 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 158.4 | 175.7 | 66.9 | 169 | 0 | 0 | 0 | 109.8 | Y1748 A1750 T1798 T1807 I1808 S1810 P1813 | Y1748-I1800 HydrophobicContact CD1-CD1 4.3Å; Y1748-I1800 HydrophobicContact CD1-CG2 4.37Å; Y1748-I1800 HydrophobicContact CE1-CD1 3.89Å; A1750-I1800 HydrophobicContact CB-CD1 4.47Å; T1798-I1800 PolarHBondContact O-N 3.43Å; I1800-T1807 CarbonylContact O-C 3.54Å; I1800-T1807 WeakPolarHBondContact O-CA 3.5Å; I1800-I1808 HydrophobicContact CD1-CD1 4.3Å; I1800-I1808 HydrophobicContact CD1-CG1 4.24Å; I1800-I1808 HydrophobicContact CG1-CD1 4.28Å; I1800-I1808 HydrophobicContact CG1-CG1 3.69Å; I1800-I1808 PolarHBondContact N-O 3.21Å; I1800-I1808 PolarHBondContact O-N 3.45Å; I1800-I1808 VanDerWaalsContact O-O 3.09Å; I1800-S1810 VanDerWaalsContact CD1-CB 3.48Å; I1800-P1813 HydrophobicContact CG2-CG 3.63Å |
| 1801 | R | 76.5 | Confident | 82.6 | Confident | 166 Ų | 166 | 73.9 Ų | 73.9 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.8 | 172.3 | -65.7 | -175.2 | -178.2 | -174.7 | -0.8 | 110.6 | H1751 I1806 | H1751-R1801 PolarHBondContact CD2-O 2.7Å; H1751-R1801 PolarHBondContact NE2-O 2.74Å; R1801-I1806 WeakPolarHBondContact CA-O 3.31Å |
| 1802 | N | 73.4 | Confident | 83 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | trans | -78 | 177.1 | 167.2 | 82.2 | -22.7 | 0 | 0 | 0 | 111.3 | H1751 T1804 G1805 I1806 I1808 | H1751-N1802 VanDerWaalsContact CD2-C 3.41Å; H1751-N1802 PolarHBondContact CE1-O 2.97Å; H1751-N1802 PolarHBondContact NE2-O 3.47Å; N1802-T1804 VanDerWaalsContact C-N 3.25Å; N1802-T1804 PolarHBondContact ND2-OG1 2.78Å; N1802-T1804 PolarHBondContact O-N 3.33Å; N1802-T1804 PolarHBondContact OD1-N 3.45Å; N1802-T1804 PolarHBondContact OD1-OG1 2.77Å; N1802-G1805 WeakPolarHBondContact O-CA 3.36Å; N1802-G1805 PolarHBondContact O-N 2.71Å; N1802-G1805 PolarHBondContact OD1-N 3.1Å; N1802-I1806 PolarHBondContact N-O 2.71Å; N1802-I1806 WeakPolarHBondContact OD1-CA 3.37Å; N1802-I1806 WeakPolarHBondContact OD1-CB 3.29Å; N1802-I1806 PolarHBondContact OD1-N 2.89Å; N1802-I1806 PolarHBondContact OD1-O 3.21Å; N1802-I1808 HydrophobicContact CB-CD1 4.22Å | ||
| 1803 | E | 67.3 | Low | 83.2 | Confident | 161 Ų | 161 | 65.6 Ų | 65.6 | 75% | 0.752 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -31 | -178.8 | 69.3 | -155.8 | 145.4 | 0 | 0 | 113.9 | H1751 G1805 | H1751-E1803 PolarHBondContact CD2-N 2.65Å; E1803-G1805 PolarHBondContact O-N 2.82Å |
| 1804 | T | 70.6 | Confident | 83.4 | Confident | 97 Ų | 97 | 63.2 Ų | 63.2 | 60% | 0.595 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 10.1 | 174.9 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | N1802 I1806 | N1802-T1804 VanDerWaalsContact C-N 3.25Å; N1802-T1804 PolarHBondContact ND2-OG1 2.78Å; N1802-T1804 PolarHBondContact O-N 3.33Å; N1802-T1804 PolarHBondContact OD1-N 3.45Å; N1802-T1804 PolarHBondContact OD1-OG1 2.77Å; T1804-I1806 VanDerWaalsContact C-N 3.27Å; T1804-I1806 PolarHBondContact O-N 2.84Å; T1804-I1806 WeakPolarHBondContact OG1-CD1 3.47Å; T1804-I1806 WeakPolarHBondContact OG1-CG1 3.32Å |
| 1805 | G | 66.1 | Low | 83.5 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 78 | -0.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1802 E1803 | N1802-G1805 WeakPolarHBondContact O-CA 3.36Å; N1802-G1805 PolarHBondContact O-N 2.71Å; N1802-G1805 PolarHBondContact OD1-N 3.1Å; E1803-G1805 PolarHBondContact O-N 2.82Å |
| 1806 | I | 74.8 | Confident | 83.6 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | trans | -74.1 | 133.1 | -179.6 | -58.3 | 173 | 0 | 0 | 0 | 109.5 | R1801 N1802 T1804 I1808 | R1801-I1806 WeakPolarHBondContact CA-O 3.31Å; N1802-I1806 PolarHBondContact N-O 2.71Å; N1802-I1806 WeakPolarHBondContact OD1-CA 3.37Å; N1802-I1806 WeakPolarHBondContact OD1-CB 3.29Å; N1802-I1806 PolarHBondContact OD1-N 2.89Å; N1802-I1806 PolarHBondContact OD1-O 3.21Å; T1804-I1806 VanDerWaalsContact C-N 3.27Å; T1804-I1806 PolarHBondContact O-N 2.84Å; T1804-I1806 WeakPolarHBondContact OG1-CD1 3.47Å; T1804-I1806 WeakPolarHBondContact OG1-CG1 3.32Å; I1806-I1808 HydrophobicContact CG2-CG2 4.48Å; I1806-I1808 PolarHBondContact O-N 2.84Å | ||
| 1807 | T | 77 | Confident | 83.8 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.4 | 172.7 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | E1799 I1800 | E1799-T1807 HydrophobicContact CB-CG2 3.64Å; E1799-T1807 HydrophobicContact CG-CG2 3.91Å; I1800-T1807 CarbonylContact O-C 3.54Å; I1800-T1807 WeakPolarHBondContact O-CA 3.5Å |
| 1808 | I | 82.5 | Confident | 84.2 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 40% | 0.395 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 156.8 | 173.3 | 63.8 | 173.1 | 0 | 0 | 0 | 109.8 | E1799 I1800 N1802 I1806 | E1799-I1808 WeakPolarHBondContact CA-O 3.35Å; I1800-I1808 HydrophobicContact CD1-CD1 4.3Å; I1800-I1808 HydrophobicContact CD1-CG1 4.24Å; I1800-I1808 HydrophobicContact CG1-CD1 4.28Å; I1800-I1808 HydrophobicContact CG1-CG1 3.69Å; I1800-I1808 PolarHBondContact N-O 3.21Å; I1800-I1808 PolarHBondContact O-N 3.45Å; I1800-I1808 VanDerWaalsContact O-O 3.09Å; N1802-I1808 HydrophobicContact CB-CD1 4.22Å; I1806-I1808 HydrophobicContact CG2-CG2 4.48Å; I1806-I1808 PolarHBondContact O-N 2.84Å |
| 1809 | K | 85.2 | Confident | 84.5 | Confident | 99 Ų | 99 | 54.8 Ų | 54.8 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.7 | 173.4 | -67 | -156.7 | 172.5 | -141 | 0 | 111.4 | I1782 T1798 E1799 | I1782-K1809 HydrophobicContact CG2-CB 3.85Å; I1782-K1809 HydrophobicContact CG2-CD 3.8Å; I1782-K1809 HydrophobicContact CG2-CG 4.44Å; T1798-K1809 CarbonylContact O-C 3.21Å; T1798-K1809 WeakPolarHBondContact O-CA 3.33Å; E1799-K1809 HydrophobicContact CG-CG 4.03Å; E1799-K1809 WeakPolarHBondContact OE1-CE 3.47Å; E1799-K1809 IonicContact OE1-NZ 2.8Å; E1799-K1809 PolarHBondContact OE1-NZ 3.49Å |
| 1810 | S | 89.4 | Confident | 84.9 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | trans | -139.3 | 153.6 | -180 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | T1798 I1800 E1812 | T1798-S1810 WeakPolarHBondContact CA-O 3.47Å; T1798-S1810 VanDerWaalsContact CB-O 3.22Å; T1798-S1810 WeakPolarHBondContact CB-O 3.13Å; T1798-S1810 WeakPolarHBondContact CG2-O 3.12Å; T1798-S1810 PolarHBondContact O-N 2.75Å; I1800-S1810 VanDerWaalsContact CD1-CB 3.48Å; S1810-E1812 PolarHBondContact OG-N 3.11Å | ||
| 1811 | V | 92.6 | Very high | 85.4 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -85.9 | -20 | 174.3 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | T1763 Y1780 I1782 P1813 L1814 A1815 | T1763-V1811 WeakPolarHBondContact OG1-CG2 3.47Å; Y1780-V1811 HydrophobicContact CD1-CB 3.81Å; Y1780-V1811 HydrophobicContact CD1-CG1 3.94Å; Y1780-V1811 HydrophobicContact CE1-CB 4.13Å; Y1780-V1811 HydrophobicContact CG-CB 4.27Å; Y1780-V1811 HydrophobicContact CG-CG1 3.98Å; I1782-V1811 HydrophobicContact CD1-CG1 3.68Å; I1782-V1811 HydrophobicContact CG1-CG1 3.55Å; V1811-P1813 VanDerWaalsContact C-CD 3.46Å; V1811-L1814 WeakPolarHBondContact O-CA 3.45Å; V1811-L1814 VanDerWaalsContact O-CB 3.32Å; V1811-L1814 WeakPolarHBondContact O-CB 3.49Å; V1811-L1814 PolarHBondContact O-N 2.81Å; V1811-A1815 PolarHBondContact O-N 2.82Å |
| 1812 | E | 94.6 | Very high | 86.1 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -38.2 | -173 | -55.5 | -46.8 | 131.1 | 0 | 0 | 114.7 | Y1748 P1762 T1763 S1810 L1814 A1815 L1816 | Y1748-E1812 HydrophobicContact CD1-CB 3.84Å; Y1748-E1812 HydrophobicContact CD2-CB 3.77Å; Y1748-E1812 HydrophobicContact CD2-CG 4.48Å; Y1748-E1812 HydrophobicContact CE1-CB 3.9Å; Y1748-E1812 HydrophobicContact CE1-CG 4.15Å; Y1748-E1812 HydrophobicContact CE2-CB 3.81Å; Y1748-E1812 HydrophobicContact CE2-CG 4.01Å; Y1748-E1812 HydrophobicContact CG-CB 3.76Å; P1762-E1812 HydrophobicContact CB-CB 4.41Å; P1762-E1812 WeakPolarHBondContact CB-OE2 3.43Å; P1762-E1812 WeakPolarHBondContact CD-OE2 3.44Å; P1762-E1812 HydrophobicContact CG-CB 4.14Å; T1763-E1812 WeakPolarHBondContact CB-OE1 3.44Å; T1763-E1812 WeakPolarHBondContact CB-OE2 3.27Å; T1763-E1812 PolarHBondContact N-OE2 3.18Å; T1763-E1812 PolarHBondContact OG1-OE1 3.16Å; T1763-E1812 PolarHBondContact OG1-OE2 2.93Å; S1810-E1812 PolarHBondContact OG-N 3.11Å; E1812-L1814 VanDerWaalsContact C-N 3.27Å; E1812-L1814 PolarHBondContact O-N 2.63Å; E1812-A1815 PolarHBondContact O-N 2.83Å; E1812-L1816 WeakPolarHBondContact O-CB 3.32Å; E1812-L1816 PolarHBondContact O-N 2.85Å |
| 1813 | P | 93.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -32.2 | 173.3 | -23.8 | 35.1 | 0 | 0 | 0 | 113.9 | A1796 N1797 I1800 V1811 E1817 | A1796-P1813 HydrophobicContact CB-CB 4.36Å; A1796-P1813 WeakPolarHBondContact CB-O 3.49Å; N1797-P1813 VanDerWaalsContact O-CB 3.28Å; N1797-P1813 WeakPolarHBondContact O-CB 3.21Å; N1797-P1813 WeakPolarHBondContact O-CG 3.29Å; I1800-P1813 HydrophobicContact CG2-CG 3.63Å; V1811-P1813 VanDerWaalsContact C-CD 3.46Å; P1813-E1817 PolarHBondContact O-N 3.25Å; P1813-E1817 VanDerWaalsContact O-N 3.14Å |
| 1814 | L | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.6 | -42 | 177.9 | -65.5 | 169 | 0 | 0 | 0 | 111.6 | Y1780 N1785 I1787 A1796 T1798 V1811 E1812 L1816 E1817 A1818 | Y1780-L1814 HydrophobicContact CD1-CB 4.25Å; Y1780-L1814 HydrophobicContact CD1-CD1 4.4Å; Y1780-L1814 HydrophobicContact CE1-CB 4.45Å; N1785-L1814 VanDerWaalsContact C-CD2 3.45Å; N1785-L1814 VanDerWaalsContact O-CD2 3.31Å; N1785-L1814 WeakPolarHBondContact O-CD2 3.17Å; I1787-L1814 HydrophobicContact CB-CB 4.09Å; I1787-L1814 HydrophobicContact CG2-CB 4.23Å; A1796-L1814 HydrophobicContact CB-CD2 3.97Å; A1796-L1814 VanDerWaalsContact N-CD2 3.35Å; A1796-L1814 WeakPolarHBondContact O-CD2 3.03Å; T1798-L1814 HydrophobicContact CG2-CD1 3.59Å; T1798-L1814 HydrophobicContact CG2-CG 3.95Å; V1811-L1814 WeakPolarHBondContact O-CA 3.45Å; V1811-L1814 VanDerWaalsContact O-CB 3.32Å; V1811-L1814 WeakPolarHBondContact O-CB 3.49Å; V1811-L1814 PolarHBondContact O-N 2.81Å; E1812-L1814 VanDerWaalsContact C-N 3.27Å; E1812-L1814 PolarHBondContact O-N 2.63Å; L1814-L1816 VanDerWaalsContact C-N 3.34Å; L1814-E1817 PolarHBondContact O-N 3.11Å; L1814-A1818 PolarHBondContact O-N 2.63Å |
| 1815 | A | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1762 L1766 Y1780 V1811 E1812 A1818 L1819 | P1762-A1815 VanDerWaalsContact C-CB 3.5Å; P1762-A1815 HydrophobicContact CB-CB 3.81Å; L1766-A1815 HydrophobicContact CB-CB 4.48Å; L1766-A1815 HydrophobicContact CD2-CB 3.95Å; Y1780-A1815 HydrophobicContact CE1-CB 4.01Å; V1811-A1815 PolarHBondContact O-N 2.82Å; E1812-A1815 PolarHBondContact O-N 2.83Å; A1815-A1818 PolarHBondContact O-N 2.78Å; A1815-L1819 WeakPolarHBondContact O-CG 3.36Å; A1815-L1819 PolarHBondContact O-N 3.24Å |
| 1816 | L | 94.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 177.5 | -174.5 | 58.3 | 0 | 0 | 0 | 112.8 | L1744 W1756 P1762 E1812 L1814 A1818 L1819 H1820 | L1744-L1816 HydrophobicContact CB-CD1 4.45Å; L1744-L1816 HydrophobicContact CD2-CD1 4.45Å; W1756-L1816 HydrophobicContact CH2-CD1 3.83Å; W1756-L1816 HydrophobicContact CZ3-CD1 3.8Å; W1756-L1816 HydrophobicContact CZ3-CD2 4.04Å; P1762-L1816 HydrophobicContact CB-CB 4.12Å; P1762-L1816 HydrophobicContact CG-CB 4.31Å; E1812-L1816 WeakPolarHBondContact O-CB 3.32Å; E1812-L1816 PolarHBondContact O-N 2.85Å; L1814-L1816 VanDerWaalsContact C-N 3.34Å; L1816-A1818 VanDerWaalsContact C-N 3.34Å; L1816-A1818 PolarHBondContact O-N 2.97Å; L1816-L1819 PolarHBondContact O-N 2.95Å; L1816-H1820 PolarHBondContact O-CD2 2.84Å; L1816-H1820 VanDerWaalsContact O-CD2 3.23Å; L1816-H1820 PolarHBondContact O-N 2.9Å |
| 1817 | E | 93.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.1 | -42 | 173.9 | -175.3 | 63.3 | -141.1 | 0 | 0 | 111.5 | F1794 A1796 P1813 L1814 L1819 H1820 N1821 | F1794-E1817 HydrophobicContact CB-CG 4.04Å; A1796-E1817 HydrophobicContact CB-CB 4.05Å; A1796-E1817 HydrophobicContact CB-CG 4.47Å; P1813-E1817 PolarHBondContact O-N 3.25Å; P1813-E1817 VanDerWaalsContact O-N 3.14Å; L1814-E1817 PolarHBondContact O-N 3.11Å; E1817-L1819 VanDerWaalsContact C-N 3.35Å; E1817-L1819 PolarHBondContact O-N 3.18Å; E1817-H1820 PolarHBondContact O-N 2.86Å; E1817-N1821 PolarHBondContact O-N 3.15Å; E1817-N1821 PolarHBondContact O-ND2 3.15Å; E1817-N1821 PolarHBondContact OE1-ND2 2.89Å |
| 1818 | A | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1766 I1787 I1789 F1794 L1814 A1815 L1816 N1821 W1822 I1825 | L1766-A1818 HydrophobicContact CD1-CB 4.31Å; L1766-A1818 HydrophobicContact CD2-CB 3.82Å; I1787-A1818 HydrophobicContact CD1-CB 4.08Å; I1787-A1818 HydrophobicContact CG2-CB 4.34Å; I1789-A1818 HydrophobicContact CD1-CB 3.73Å; F1794-A1818 HydrophobicContact CD2-CB 3.92Å; F1794-A1818 HydrophobicContact CE2-CB 4.38Å; L1814-A1818 PolarHBondContact O-N 2.63Å; A1815-A1818 PolarHBondContact O-N 2.78Å; L1816-A1818 VanDerWaalsContact C-N 3.34Å; L1816-A1818 PolarHBondContact O-N 2.97Å; A1818-N1821 CarbonylContact O-C 3.5Å; A1818-N1821 PolarHBondContact O-N 2.85Å; A1818-W1822 PolarHBondContact O-N 2.94Å; A1818-I1825 HydrophobicContact CB-CD1 4.16Å; A1818-I1825 VanDerWaalsContact O-CD1 3.32Å; A1818-I1825 WeakPolarHBondContact O-CD1 3.42Å |
| 1819 | L | 95 | Very high | 89 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 175.5 | -71.2 | 170.1 | 0 | 0 | 0 | 112.7 | L1744 P1762 I1765 L1766 L1769 A1815 L1816 E1817 N1821 W1822 L1832 | L1744-L1819 HydrophobicContact CD1-CB 3.9Å; L1744-L1819 HydrophobicContact CD2-CD1 4.21Å; P1762-L1819 HydrophobicContact CB-CD1 4.32Å; I1765-L1819 HydrophobicContact CB-CD1 4.1Å; I1765-L1819 HydrophobicContact CG2-CD1 3.95Å; I1765-L1819 HydrophobicContact CG2-CD2 3.95Å; L1766-L1819 HydrophobicContact CB-CD2 4.08Å; L1766-L1819 HydrophobicContact CB-CG 4.22Å; L1766-L1819 HydrophobicContact CD1-CD2 3.87Å; L1766-L1819 HydrophobicContact CD1-CG 4.23Å; L1769-L1819 HydrophobicContact CD1-CD2 3.66Å; A1815-L1819 WeakPolarHBondContact O-CG 3.36Å; A1815-L1819 PolarHBondContact O-N 3.24Å; L1816-L1819 PolarHBondContact O-N 2.95Å; E1817-L1819 VanDerWaalsContact C-N 3.35Å; E1817-L1819 PolarHBondContact O-N 3.18Å; L1819-N1821 PolarHBondContact O-N 2.87Å; L1819-W1822 VanDerWaalsContact O-CB 3.31Å; L1819-W1822 WeakPolarHBondContact O-CB 3.27Å; L1819-W1822 PolarHBondContact O-N 2.97Å; L1819-L1832 HydrophobicContact CB-CD1 4.44Å; L1819-L1832 HydrophobicContact CD2-CD1 4.01Å |
| 1820 | H | 92.9 | Very high | 88.9 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -25.4 | 173.2 | -74.8 | -58.7 | 0 | 0 | 0 | 112.7 | M1745 L1816 E1817 | M1745-H1820 PolarHBondContact O-CE1 2.94Å; M1745-H1820 PolarHBondContact O-NE2 3.31Å; L1816-H1820 PolarHBondContact O-CD2 2.84Å; L1816-H1820 VanDerWaalsContact O-CD2 3.23Å; L1816-H1820 PolarHBondContact O-N 2.9Å; E1817-H1820 PolarHBondContact O-N 2.86Å |
| 1821 | N | 91.2 | Very high | 88.9 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 18 | 178.5 | -70.1 | -83.8 | 0 | 0 | 0 | 114 | F1794 E1817 A1818 L1819 S1823 L1824 | F1794-N1821 HydrophobicContact CD1-CB 3.95Å; F1794-N1821 HydrophobicContact CE1-CB 3.38Å; F1794-N1821 HydrophobicContact CZ-CB 3.8Å; E1817-N1821 PolarHBondContact O-N 3.15Å; E1817-N1821 PolarHBondContact O-ND2 3.15Å; E1817-N1821 PolarHBondContact OE1-ND2 2.89Å; A1818-N1821 CarbonylContact O-C 3.5Å; A1818-N1821 PolarHBondContact O-N 2.85Å; L1819-N1821 PolarHBondContact O-N 2.87Å; N1821-S1823 VanDerWaalsContact C-N 3.27Å; N1821-S1823 PolarHBondContact O-N 2.94Å; N1821-S1823 VanDerWaalsContact O-N 3.09Å; N1821-L1824 HydrophobicContact CB-CD1 4.32Å; N1821-L1824 WeakPolarHBondContact O-CB 3.5Å; N1821-L1824 PolarHBondContact O-N 3.02Å |
| 1822 | W | 92 | Very high | 88.9 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.6 | -30.8 | -171.4 | -174.4 | -111.8 | 0 | 0 | 0 | 116 | L1766 L1769 Y1773 I1775 A1818 L1819 L1824 I1825 T1826 L1832 | L1766-W1822 HydrophobicContact CD1-CE3 4.21Å; L1766-W1822 HydrophobicContact CD1-CZ3 3.94Å; L1769-W1822 HydrophobicContact CB-CH2 3.65Å; L1769-W1822 HydrophobicContact CB-CZ2 3.86Å; L1769-W1822 HydrophobicContact CB-CZ3 4.11Å; L1769-W1822 HydrophobicContact CD1-CD2 4.48Å; Y1773-W1822 AromaticContact CD2-CZ2 3.68Å; Y1773-W1822 HydrophobicContact CD2-CZ2 3.68Å; Y1773-W1822 HydrophobicContact CE2-CZ2 4.09Å; Y1773-W1822 HydrophobicContact CG-CZ2 4.06Å; I1775-W1822 HydrophobicContact CD1-CH2 4.02Å; I1775-W1822 HydrophobicContact CD1-CZ2 4.4Å; A1818-W1822 PolarHBondContact O-N 2.94Å; L1819-W1822 VanDerWaalsContact O-CB 3.31Å; L1819-W1822 WeakPolarHBondContact O-CB 3.27Å; L1819-W1822 PolarHBondContact O-N 2.97Å; W1822-L1824 VanDerWaalsContact C-N 3.31Å; W1822-L1824 PolarHBondContact O-N 2.82Å; W1822-I1825 HydrophobicContact CE3-CB 4.36Å; W1822-I1825 HydrophobicContact CE3-CD1 3.93Å; W1822-I1825 HydrophobicContact CE3-CG2 4.44Å; W1822-I1825 HydrophobicContact CZ3-CD1 4.32Å; W1822-I1825 HydrophobicContact CZ3-CG2 4.15Å; W1822-I1825 PolarHBondContact O-N 3.42Å; W1822-T1826 HydrophobicContact CD2-CG2 4.05Å; W1822-T1826 HydrophobicContact CG-CG2 4.45Å; W1822-T1826 HydrophobicContact CH2-CG2 4.24Å; W1822-T1826 HydrophobicContact CZ2-CG2 3.48Å; W1822-T1826 VanDerWaalsContact CZ2-CG2 3.48Å; W1822-T1826 PolarHBondContact O-N 2.74Å; W1822-T1826 PolarHBondContact O-OG1 2.88Å; W1822-L1832 HydrophobicContact CB-CD1 3.86Å; W1822-L1832 HydrophobicContact CB-CG 3.93Å; W1822-L1832 HydrophobicContact CG-CD1 3.92Å; W1822-L1832 HydrophobicContact CG-CD2 4.37Å; W1822-L1832 HydrophobicContact CG-CG 4.02Å |
| 1823 | S | 87.3 | Confident | 88.9 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -29 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | N1821 K1827 K1828 | N1821-S1823 VanDerWaalsContact C-N 3.27Å; N1821-S1823 PolarHBondContact O-N 2.94Å; N1821-S1823 VanDerWaalsContact O-N 3.09Å; S1823-K1827 WeakPolarHBondContact O-CA 3.48Å; S1823-K1827 PolarHBondContact O-N 2.9Å; S1823-K1828 WeakPolarHBondContact CA-O 3.37Å; S1823-K1828 VanDerWaalsContact CB-O 3.31Å; S1823-K1828 WeakPolarHBondContact CB-O 3.36Å; S1823-K1828 PolarHBondContact O-N 2.87Å |
| 1824 | L | 87 | Confident | 88.8 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.4 | -39.1 | 174.4 | -65.2 | 173.5 | 0 | 0 | 0 | 111.5 | F1794 N1821 W1822 K1827 | F1794-L1824 HydrophobicContact CE1-CD1 4.46Å; N1821-L1824 HydrophobicContact CB-CD1 4.32Å; N1821-L1824 WeakPolarHBondContact O-CB 3.5Å; N1821-L1824 PolarHBondContact O-N 3.02Å; W1822-L1824 VanDerWaalsContact C-N 3.31Å; W1822-L1824 PolarHBondContact O-N 2.82Å; L1824-K1827 VanDerWaalsContact O-CG 3.23Å; L1824-K1827 WeakPolarHBondContact O-CG 3.25Å |
| 1825 | I | 86.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -48.2 | 178.1 | -59.1 | 168.8 | 0 | 0 | 0 | 110.3 | I1775 I1789 F1794 A1818 W1822 | I1775-I1825 HydrophobicContact CD1-CG2 4.22Å; I1775-I1825 HydrophobicContact CG2-CG2 4.37Å; I1789-I1825 HydrophobicContact CD1-CD1 3.68Å; I1789-I1825 HydrophobicContact CG2-CG2 3.85Å; F1794-I1825 HydrophobicContact CE2-CD1 3.78Å; F1794-I1825 HydrophobicContact CE2-CG1 3.69Å; F1794-I1825 HydrophobicContact CZ-CD1 4.23Å; F1794-I1825 HydrophobicContact CZ-CG1 3.82Å; A1818-I1825 HydrophobicContact CB-CD1 4.16Å; A1818-I1825 VanDerWaalsContact O-CD1 3.32Å; A1818-I1825 WeakPolarHBondContact O-CD1 3.42Å; W1822-I1825 HydrophobicContact CE3-CB 4.36Å; W1822-I1825 HydrophobicContact CE3-CD1 3.93Å; W1822-I1825 HydrophobicContact CE3-CG2 4.44Å; W1822-I1825 HydrophobicContact CZ3-CD1 4.32Å; W1822-I1825 HydrophobicContact CZ3-CG2 4.15Å; W1822-I1825 PolarHBondContact O-N 3.42Å |
| 1826 | T | 82.7 | Confident | 88.5 | Confident | 22 Ų | 22 | 45 Ų | 45 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.4 | -17.7 | -179 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | I1775 W1822 K1828 | I1775-T1826 HydrophobicContact CD1-CG2 4.1Å; W1822-T1826 HydrophobicContact CD2-CG2 4.05Å; W1822-T1826 HydrophobicContact CG-CG2 4.45Å; W1822-T1826 HydrophobicContact CH2-CG2 4.24Å; W1822-T1826 HydrophobicContact CZ2-CG2 3.48Å; W1822-T1826 VanDerWaalsContact CZ2-CG2 3.48Å; W1822-T1826 PolarHBondContact O-N 2.74Å; W1822-T1826 PolarHBondContact O-OG1 2.88Å; T1826-K1828 PolarHBondContact O-N 3.45Å |
| 1827 | K | 77 | Confident | 88.4 | Confident | 146 Ų | 146 | 44.8 Ų | 44.8 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 34.5 | -174.1 | -57.8 | -176.4 | -179.4 | -178.3 | 0 | 112.6 | E1792 S1823 L1824 | E1792-K1827 VanDerWaalsContact OE1-CE 3.24Å; E1792-K1827 WeakPolarHBondContact OE1-CE 3.45Å; E1792-K1827 IonicContact OE1-NZ 3.94Å; E1792-K1827 PolarHBondContact OE1-NZ 2.82Å; S1823-K1827 WeakPolarHBondContact O-CA 3.48Å; S1823-K1827 PolarHBondContact O-N 2.9Å; L1824-K1827 VanDerWaalsContact O-CG 3.23Å; L1824-K1827 WeakPolarHBondContact O-CG 3.25Å |
| 1828 | K | 75 | Confident | 88.5 | Confident | 136 Ų | 136 | 41.1 Ų | 41.1 | 59% | 0.591 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -132.2 | 153.3 | 176.8 | -64.7 | -178.3 | -177.8 | -174.8 | 0 | 108.9 | S1823 T1826 V1830 | S1823-K1828 WeakPolarHBondContact CA-O 3.37Å; S1823-K1828 VanDerWaalsContact CB-O 3.31Å; S1823-K1828 WeakPolarHBondContact CB-O 3.36Å; S1823-K1828 PolarHBondContact O-N 2.87Å; T1826-K1828 PolarHBondContact O-N 3.45Å; K1828-V1830 HydrophobicContact CB-CG2 4.11Å; K1828-V1830 PolarHBondContact O-N 2.63Å |
| 1829 | D | 76.6 | Confident | 88.5 | Confident | 123 Ų | 123 | 41.4 Ų | 41.4 | 66% | 0.658 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -78.6 | 63.4 | 177.2 | -157.6 | 12.2 | 0 | 0 | 0 | 111.3 | ||
| 1830 | V | 84.2 | Confident | 88.5 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | trans | -121.8 | 85.9 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 108 | A1737 K1828 | A1737-V1830 HydrophobicContact CB-CG1 3.95Å; A1737-V1830 WeakPolarHBondContact O-CG1 3.43Å; K1828-V1830 HydrophobicContact CB-CG2 4.11Å; K1828-V1830 PolarHBondContact O-N 2.63Å | ||
| 1831 | K | 88.4 | Confident | 88.4 | Confident | 69 Ų | 69 | 40.4 Ų | 40.4 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 141.1 | 171.5 | -62.8 | 163.5 | -173.1 | 166.5 | 0 | 109.5 | D1574 H1738 | D1574-K1831 HydrophobicContact CB-CD 4.01Å; D1574-K1831 IonicContact OD1-NZ 2.73Å; D1574-K1831 PolarHBondContact OD1-NZ 3.42Å; D1574-K1831 WeakPolarHBondContact OD2-CD 3.46Å; D1574-K1831 IonicContact OD2-NZ 2.85Å; D1574-K1831 PolarHBondContact OD2-NZ 3.41Å; H1738-K1831 WeakPolarHBondContact CB-O 3.49Å; H1738-K1831 PolarHBondContact ND1-O 2.72Å |
| 1832 | L | 93.3 | Very high | 88.4 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -86.1 | 147.8 | 174.4 | -58.2 | -178 | 0 | 0 | 0 | 110.6 | H1738 R1739 L1744 L1769 L1819 W1822 S1834 | H1738-L1832 CarbonylContact O-C 3.57Å; H1738-L1832 WeakPolarHBondContact O-CA 3.49Å; R1739-L1832 HydrophobicContact CB-CD2 4.03Å; L1744-L1832 HydrophobicContact CD1-CB 3.66Å; L1744-L1832 HydrophobicContact CD1-CD1 3.89Å; L1744-L1832 HydrophobicContact CD1-CG 4.43Å; L1769-L1832 HydrophobicContact CD1-CD1 3.88Å; L1819-L1832 HydrophobicContact CB-CD1 4.44Å; L1819-L1832 HydrophobicContact CD2-CD1 4.01Å; W1822-L1832 HydrophobicContact CB-CD1 3.86Å; W1822-L1832 HydrophobicContact CB-CG 3.93Å; W1822-L1832 HydrophobicContact CG-CD1 3.92Å; W1822-L1832 HydrophobicContact CG-CD2 4.37Å; W1822-L1832 HydrophobicContact CG-CG 4.02Å; L1832-S1834 PolarHBondContact O-N 2.64Å |
| 1833 | V | 93.1 | Very high | 88 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -70 | 122.7 | 179.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | L1569 F1575 F1578 H1738 A1740 G1743 L1744 H1836 | L1569-V1833 HydrophobicContact CD2-CG1 4.35Å; F1575-V1833 HydrophobicContact CD1-CG2 4.26Å; F1575-V1833 HydrophobicContact CD2-CG2 4.37Å; F1575-V1833 HydrophobicContact CE1-CG2 3.86Å; F1575-V1833 HydrophobicContact CE2-CG2 3.99Å; F1575-V1833 HydrophobicContact CZ-CB 4.38Å; F1575-V1833 HydrophobicContact CZ-CG2 3.73Å; F1578-V1833 HydrophobicContact CE1-CG2 4.3Å; F1578-V1833 HydrophobicContact CZ-CG2 4.38Å; H1738-V1833 HydrophobicContact CB-CG2 4.23Å; H1738-V1833 PolarHBondContact O-N 3.2Å; A1740-V1833 HydrophobicContact CB-CG2 3.96Å; G1743-V1833 WeakPolarHBondContact CA-O 3.38Å; L1744-V1833 PolarHBondContact N-O 2.91Å; V1833-H1836 VanDerWaalsContact CG1-CE1 3.47Å; V1833-H1836 WeakPolarHBondContact CG1-CE1 3.32Å; V1833-H1836 WeakPolarHBondContact CG1-ND1 3.34Å |
| 1834 | S | 91.3 | Very high | 87.5 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -78.8 | 167.9 | 174.3 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | G1743 L1744 L1832 H1836 | G1743-S1834 WeakPolarHBondContact CA-O 3.26Å; L1744-S1834 CarbonylContact O-C 3.6Å; L1744-S1834 WeakPolarHBondContact O-CA 3.32Å; L1832-S1834 PolarHBondContact O-N 2.64Å; S1834-H1836 PolarHBondContact O-N 3.26Å; S1834-H1836 PolarHBondContact O-ND1 2.91Å |
| 1835 | E | 91.4 | Very high | 86.6 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -57.7 | 120.2 | 170.1 | -179.2 | -173.4 | -152.6 | 0 | 0 | 110.3 | R1415 I1562 L1563 L1744 M1745 P1746 K1757 | R1415-E1835 IonicContact CZ-OE1 2.67Å; R1415-E1835 IonicContact CZ-OE2 3.54Å; R1415-E1835 IonicContact NH1-OE1 2.75Å; R1415-E1835 PolarHBondContact NH1-OE1 3.19Å; R1415-E1835 IonicContact NH1-OE2 2.71Å; R1415-E1835 PolarHBondContact NH1-OE2 3.24Å; R1415-E1835 VanDerWaalsContact NH1-OE2 3.13Å; R1415-E1835 IonicContact NH2-OE1 3.86Å; R1415-E1835 IonicContact NH2-OE2 2.65Å; R1415-E1835 PolarHBondContact NH2-OE2 2.93Å; I1562-E1835 HydrophobicContact CG2-CG 4.4Å; L1563-E1835 WeakPolarHBondContact CB-O 3.43Å; L1563-E1835 PolarHBondContact N-O 2.99Å; L1744-E1835 PolarHBondContact O-N 2.84Å; M1745-E1835 HydrophobicContact CG-CB 4.24Å; M1745-E1835 HydrophobicContact CG-CG 4.47Å; P1746-E1835 WeakPolarHBondContact CD-OE2 3.32Å; K1757-E1835 WeakPolarHBondContact CE-OE1 3.38Å; K1757-E1835 IonicContact NZ-OE1 3.47Å; K1757-E1835 PolarHBondContact NZ-OE1 2.72Å |
| 1836 | H | 92.1 | Very high | 85.6 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 167.9 | -169.8 | 68.7 | -85.4 | 0 | 0 | 0 | 114.2 | L1563 Y1565 V1833 S1834 | L1563-H1836 HydrophobicContact CB-CB 4.26Å; L1563-H1836 CarbonylContact O-C 3.48Å; L1563-H1836 WeakPolarHBondContact O-CA 3.21Å; Y1565-H1836 HydrophobicContact CD2-CB 3.74Å; Y1565-H1836 AromaticContact CD2-CD2 3.98Å; Y1565-H1836 AromaticContact CD2-CG 3.94Å; Y1565-H1836 HydrophobicContact CE2-CB 3.56Å; Y1565-H1836 AromaticContact CE2-CG 3.78Å; V1833-H1836 VanDerWaalsContact CG1-CE1 3.47Å; V1833-H1836 WeakPolarHBondContact CG1-CE1 3.32Å; V1833-H1836 WeakPolarHBondContact CG1-ND1 3.34Å; S1834-H1836 PolarHBondContact O-N 3.26Å; S1834-H1836 PolarHBondContact O-ND1 2.91Å |
| 1837 | V | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.7 | 158.7 | 175 | 0 | 0 | 0 | 0 | 107.3 | W1412 F1416 I1562 L1563 V1564 Y1565 I1649 Q1856 W1858 | W1412-V1837 HydrophobicContact CZ2-CG2 4.44Å; F1416-V1837 HydrophobicContact CD2-CG2 4.38Å; F1416-V1837 HydrophobicContact CE2-CG2 4.28Å; I1562-V1837 HydrophobicContact CG2-CG2 4.24Å; L1563-V1837 PolarHBondContact O-N 3.49Å; V1564-V1837 CarbonylContact C-O 3.21Å; V1564-V1837 WeakPolarHBondContact CA-O 3.43Å; V1564-V1837 HydrophobicContact CG1-CB 4.47Å; V1564-V1837 HydrophobicContact CG2-CB 4.37Å; Y1565-V1837 PolarHBondContact N-O 2.85Å; I1649-V1837 HydrophobicContact CD1-CB 4.24Å; I1649-V1837 HydrophobicContact CD1-CG1 3.42Å; I1649-V1837 VanDerWaalsContact CD1-CG1 3.42Å; I1649-V1837 HydrophobicContact CD1-CG2 3.72Å; V1837-Q1856 HydrophobicContact CG1-CB 4.05Å; V1837-W1858 HydrophobicContact CG2-CE3 4.07Å; V1837-W1858 HydrophobicContact CG2-CZ3 4.31Å |
| 1838 | E | 94.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 155.3 | 171.8 | 64.9 | 173.8 | 127.8 | 0 | 0 | 111.6 | L1569 R1733 R1840 Q1856 M1857 | L1569-E1838 HydrophobicContact CB-CB 4.34Å; L1569-E1838 PolarHBondContact N-OE2 3.02Å; R1733-E1838 IonicContact CZ-OE1 3.6Å; R1733-E1838 IonicContact NH1-OE1 2.58Å; R1733-E1838 PolarHBondContact NH1-OE1 2.9Å; R1733-E1838 VanDerWaalsContact NH2-CD 3.33Å; R1733-E1838 IonicContact NH2-OE1 3.56Å; R1733-E1838 PolarHBondContact NH2-OE1 3.38Å; R1733-E1838 IonicContact NH2-OE2 2.78Å; R1733-E1838 PolarHBondContact NH2-OE2 3.1Å; R1733-E1838 VanDerWaalsContact NH2-OE2 3.1Å; E1838-R1840 HydrophobicContact CG-CG 4.24Å; E1838-R1840 WeakPolarHBondContact OE2-CG 3.39Å; E1838-R1840 IonicContact OE2-CZ 3.3Å; E1838-R1840 IonicContact OE2-NH1 2.89Å; E1838-R1840 PolarHBondContact OE2-NH1 2.83Å; E1838-Q1856 WeakPolarHBondContact O-CA 3.22Å; E1838-M1857 HydrophobicContact CG-CE 4.22Å; E1838-M1857 HydrophobicContact CG-CG 4.15Å; E1838-M1857 WeakPolarHBondContact CG-O 3.46Å; E1838-M1857 PolarHBondContact N-O 2.68Å; E1838-M1857 PolarHBondContact O-N 3.35Å; E1838-M1857 VanDerWaalsContact O-N 3.11Å |
| 1839 | T | 93.9 | Very high | 82.6 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 86.3 | -178.1 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | Y1565 V1567 R1854 L1855 Q1856 | Y1565-T1839 WeakPolarHBondContact O-CB 3.13Å; Y1565-T1839 PolarHBondContact O-N 2.71Å; Y1565-T1839 PolarHBondContact O-OG1 3.28Å; V1567-T1839 CarbonylContact C-O 3.56Å; V1567-T1839 WeakPolarHBondContact CA-O 3.33Å; V1567-T1839 PolarHBondContact O-N 3.46Å; T1839-R1854 HydrophobicContact CG2-CB 4.04Å; T1839-L1855 CarbonylContact C-O 3.59Å; T1839-L1855 WeakPolarHBondContact CA-O 3.21Å; T1839-Q1856 HydrophobicContact CG2-CG 4.01Å; T1839-Q1856 PolarHBondContact OG1-NE2 2.82Å; T1839-Q1856 VanDerWaalsContact OG1-NE2 3.08Å |
| 1840 | R | 94 | Very high | 82.2 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 151.7 | -178.1 | -54.7 | -169.2 | 74.4 | 78.4 | -6.2 | 111.3 | A1568 E1570 T1726 H1727 I1728 R1733 E1838 R1854 L1855 M1857 | A1568-R1840 HydrophobicContact CB-CG 4.32Å; E1570-R1840 IonicContact OE1-CZ 3.38Å; E1570-R1840 IonicContact OE1-NH1 3.69Å; E1570-R1840 PolarHBondContact OE1-NH1 2.91Å; E1570-R1840 IonicContact OE1-NH2 2.72Å; E1570-R1840 IonicContact OE2-CZ 3.04Å; E1570-R1840 IonicContact OE2-NH1 3.79Å; E1570-R1840 PolarHBondContact OE2-NH1 2.88Å; E1570-R1840 IonicContact OE2-NH2 2.89Å; E1570-R1840 PolarHBondContact OE2-NH2 2.78Å; T1726-R1840 HydrophobicContact CG2-CB 4.23Å; T1726-R1840 PolarHBondContact OG1-NE 3.27Å; T1726-R1840 VanDerWaalsContact OG1-NE 3.09Å; H1727-R1840 PolarHBondContact O-NH2 2.65Å; I1728-R1840 VanDerWaalsContact CG1-CZ 3.47Å; R1733-R1840 VanDerWaalsContact NH2-NH1 3.13Å; E1838-R1840 HydrophobicContact CG-CG 4.24Å; E1838-R1840 WeakPolarHBondContact OE2-CG 3.39Å; E1838-R1840 IonicContact OE2-CZ 3.3Å; E1838-R1840 IonicContact OE2-NH1 2.89Å; E1838-R1840 PolarHBondContact OE2-NH1 2.83Å; R1840-R1854 CarbonylContact O-C 3.52Å; R1840-R1854 WeakPolarHBondContact O-CA 3.48Å; R1840-R1854 WeakPolarHBondContact O-CB 3.27Å; R1840-L1855 PolarHBondContact N-O 2.77Å; R1840-L1855 PolarHBondContact O-N 3.02Å; R1840-M1857 VanDerWaalsContact CD-SD 3.54Å; R1840-M1857 HydrophobicContact CG-CG 4.43Å; R1840-M1857 HydrophobicContact CG-SD 4.16Å |
| 1841 | S | 92.2 | Very high | 81.9 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.6 | 171.5 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1842 | L | 91.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.1 | 175.9 | -62.1 | 168.8 | 0 | 0 | 0 | 109.8 | L1654 M1711 E1725 T1726 I1851 Q1852 G1853 | L1654-L1842 HydrophobicContact CD2-CD1 3.77Å; M1711-L1842 HydrophobicContact CB-CD1 3.83Å; M1711-L1842 HydrophobicContact CE-CD1 4.08Å; M1711-L1842 HydrophobicContact CG-CD1 4.17Å; E1725-L1842 WeakPolarHBondContact O-CA 3.31Å; T1726-L1842 HydrophobicContact CG2-CD2 4.1Å; L1842-I1851 CarbonylContact O-C 3.59Å; L1842-I1851 WeakPolarHBondContact O-CA 3.44Å; L1842-Q1852 PolarHBondContact O-N 3.04Å; L1842-G1853 PolarHBondContact N-O 3.01Å |
| 1843 | K | 82.3 | Confident | 81.4 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.9 | 176.2 | -69.5 | -177.5 | 174.3 | -175.1 | 0 | 110.4 | E1599 G1724 E1725 | E1599-K1843 IonicContact OE1-NZ 2.79Å; E1599-K1843 PolarHBondContact OE1-NZ 3.08Å; E1599-K1843 IonicContact OE2-NZ 2.66Å; E1599-K1843 PolarHBondContact OE2-NZ 3.47Å; G1724-K1843 CarbonylContact C-O 3.34Å; G1724-K1843 WeakPolarHBondContact CA-O 3.37Å; E1725-K1843 PolarHBondContact N-O 3.49Å; E1725-K1843 PolarHBondContact O-N 2.81Å |
| 1844 | H | 77.5 | Confident | 81.4 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 136.1 | 166.8 | -162.6 | -92.1 | 0 | 0 | 0 | 110.2 | L1722 D1846 N1847 Q1852 | L1722-H1844 PolarHBondContact O-CD2 3.11Å; L1722-H1844 PolarHBondContact O-NE2 3.05Å; H1844-D1846 VanDerWaalsContact C-N 3.31Å; H1844-D1846 IonicContact CE1-OD2 2.91Å; H1844-D1846 PolarHBondContact CE1-OD2 3.48Å; H1844-D1846 PolarHBondContact ND1-N 2.85Å; H1844-D1846 IonicContact ND1-OD2 2.85Å; H1844-D1846 PolarHBondContact O-N 3.29Å; H1844-N1847 HydrophobicContact CB-CB 4.35Å; H1844-N1847 CarbonylContact O-C 3.56Å; H1844-N1847 PolarHBondContact O-N 3.15Å; H1844-Q1852 HydrophobicContact CB-CG 4.1Å |
| 1845 | P | 67.6 | Low | 81.7 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -36.4 | -177.8 | 22.5 | -33.8 | 0 | 0 | 0 | 113.4 | L1722 N1847 | L1722-P1845 VanDerWaalsContact CD2-CD 3.46Å; L1722-P1845 HydrophobicContact CD2-CG 3.71Å; P1845-N1847 VanDerWaalsContact C-N 3.31Å; P1845-N1847 PolarHBondContact O-N 3.34Å |
| 1846 | D | 65.7 | Low | 81.9 | Confident | 129 Ų | 129 | 38.2 Ų | 38.2 | 69% | 0.69 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.4 | 175.8 | -56.8 | -44.3 | 0 | 0 | 0 | 114 | H1844 P1848 | H1844-D1846 VanDerWaalsContact C-N 3.31Å; H1844-D1846 IonicContact CE1-OD2 2.91Å; H1844-D1846 PolarHBondContact CE1-OD2 3.48Å; H1844-D1846 PolarHBondContact ND1-N 2.85Å; H1844-D1846 IonicContact ND1-OD2 2.85Å; H1844-D1846 PolarHBondContact O-N 3.29Å; D1846-P1848 VanDerWaalsContact C-CD 3.47Å |
| 1847 | N | 62.4 | Low | 82.1 | Confident | 94 Ų | 94 | 37.5 Ų | 37.5 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 61.7 | -178.5 | -72.7 | -72.9 | 0 | 0 | 0 | 111.6 | H1844 P1845 G1849 L1850 | H1844-N1847 HydrophobicContact CB-CB 4.35Å; H1844-N1847 CarbonylContact O-C 3.56Å; H1844-N1847 PolarHBondContact O-N 3.15Å; P1845-N1847 VanDerWaalsContact C-N 3.31Å; P1845-N1847 PolarHBondContact O-N 3.34Å; N1847-G1849 PolarHBondContact O-N 3.09Å; N1847-L1850 PolarHBondContact O-N 3.14Å |
| 1848 | P | 55.2 | Low | 82.1 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 20% | 0.201 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 95.5 | -176.1 | 28.3 | -34.3 | 0 | 0 | 0 | 111.3 | E1599 D1846 | E1599-P1848 HydrophobicContact CB-CB 4.31Å; E1599-P1848 HydrophobicContact CB-CG 4.46Å; E1599-P1848 HydrophobicContact CG-CB 4.49Å; E1599-P1848 VanDerWaalsContact OE2-CB 3.24Å; E1599-P1848 WeakPolarHBondContact OE2-CB 3.39Å; D1846-P1848 VanDerWaalsContact C-CD 3.47Å |
| 1849 | G | 54.8 | Low | 82.2 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | -28.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1847 | N1847-G1849 PolarHBondContact O-N 3.09Å |
| 1850 | L | 68.3 | Low | 82.2 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 45% | 0.445 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121.2 | 174.1 | -173.4 | 57.8 | 0 | 0 | 0 | 110 | N1847 Q1852 | N1847-L1850 PolarHBondContact O-N 3.14Å; L1850-Q1852 PolarHBondContact O-N 2.93Å |
| 1851 | I | 78.2 | Confident | 82.2 | Confident | 79 Ų | 79 | 37.8 Ų | 37.8 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 106.7 | 179.6 | -62.8 | 173.4 | 0 | 0 | 0 | 109.5 | L1842 G1853 | L1842-I1851 CarbonylContact O-C 3.59Å; L1842-I1851 WeakPolarHBondContact O-CA 3.44Å; I1851-G1853 WeakPolarHBondContact CG2-O 3.38Å; I1851-G1853 PolarHBondContact O-N 3.38Å |
| 1852 | Q | 83.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 4 | -175.7 | -53.1 | -65.4 | 20.1 | 0 | 0 | 113.8 | L1654 H1655 I1723 L1842 H1844 L1850 | L1654-Q1852 CarbonylContact C-O 3.53Å; L1654-Q1852 WeakPolarHBondContact CA-O 3.2Å; H1655-Q1852 HydrophobicContact CB-CB 4.21Å; H1655-Q1852 PolarHBondContact CD2-OE1 2.87Å; H1655-Q1852 PolarHBondContact N-O 3.02Å; I1723-Q1852 HydrophobicContact CG2-CB 4.28Å; I1723-Q1852 WeakPolarHBondContact O-CB 3.5Å; I1723-Q1852 WeakPolarHBondContact O-CG 3.44Å; L1842-Q1852 PolarHBondContact O-N 3.04Å; H1844-Q1852 HydrophobicContact CB-CG 4.1Å; L1850-Q1852 PolarHBondContact O-N 2.93Å |
| 1853 | G | 86.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1653 L1842 I1851 | K1653-G1853 WeakPolarHBondContact O-CA 3.23Å; L1842-G1853 PolarHBondContact N-O 3.01Å; I1851-G1853 WeakPolarHBondContact CG2-O 3.38Å; I1851-G1853 PolarHBondContact O-N 3.38Å |
| 1854 | R | 94.2 | Very high | 82 | Confident | 74 Ų | 74 | 39 Ų | 39 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.9 | 169.5 | -69 | -175 | 174 | -150 | -5.8 | 111.2 | P1566 A1651 I1652 T1839 R1840 | P1566-R1854 PolarHBondContact O-NH1 2.89Å; A1651-R1854 CarbonylContact C-O 3.52Å; A1651-R1854 WeakPolarHBondContact CA-O 3.49Å; I1652-R1854 PolarHBondContact N-O 2.82Å; I1652-R1854 PolarHBondContact O-N 2.89Å; T1839-R1854 HydrophobicContact CG2-CB 4.04Å; R1840-R1854 CarbonylContact O-C 3.52Å; R1840-R1854 WeakPolarHBondContact O-CA 3.48Å; R1840-R1854 WeakPolarHBondContact O-CB 3.27Å |
| 1855 | L | 95.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.3 | 179.6 | -166.9 | 67.7 | 0 | 0 | 0 | 109.7 | V1648 A1651 F1691 I1709 M1711 T1839 R1840 M1857 | V1648-L1855 HydrophobicContact CG1-CD1 3.65Å; V1648-L1855 HydrophobicContact CG1-CD2 4.19Å; V1648-L1855 HydrophobicContact CG1-CG 4.07Å; A1651-L1855 HydrophobicContact CB-CD1 4.06Å; F1691-L1855 HydrophobicContact CE2-CD1 4.37Å; I1709-L1855 HydrophobicContact CG2-CD2 3.78Å; M1711-L1855 HydrophobicContact CE-CD1 3.65Å; T1839-L1855 CarbonylContact C-O 3.59Å; T1839-L1855 WeakPolarHBondContact CA-O 3.21Å; R1840-L1855 PolarHBondContact N-O 2.77Å; R1840-L1855 PolarHBondContact O-N 3.02Å; L1855-M1857 HydrophobicContact CD2-CG 4.46Å; L1855-M1857 HydrophobicContact CD2-SD 4.39Å; L1855-M1857 HydrophobicContact CG-CG 4.46Å |
| 1856 | Q | 95.7 | Very high | 82.6 | Confident | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.2 | 172.2 | -66.1 | -157.7 | -62.7 | 0 | 0 | 110.2 | I1649 R1650 I1652 V1837 E1838 T1839 | I1649-Q1856 WeakPolarHBondContact CB-O 3.41Å; I1649-Q1856 HydrophobicContact CD1-CB 4.23Å; I1649-Q1856 PolarHBondContact N-O 3.29Å; R1650-Q1856 HydrophobicContact CG-CB 4.24Å; R1650-Q1856 VanDerWaalsContact CZ-OE1 3.31Å; R1650-Q1856 PolarHBondContact O-N 2.85Å; I1652-Q1856 HydrophobicContact CD1-CG 3.8Å; V1837-Q1856 HydrophobicContact CG1-CB 4.05Å; E1838-Q1856 WeakPolarHBondContact O-CA 3.22Å; T1839-Q1856 HydrophobicContact CG2-CG 4.01Å; T1839-Q1856 PolarHBondContact OG1-NE2 2.82Å; T1839-Q1856 VanDerWaalsContact OG1-NE2 3.08Å |
| 1857 | M | 96.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 173.5 | -168.5 | 54.7 | 150.2 | -74.5 | 0 | 0 | 111.6 | L1646 Y1647 I1728 E1838 R1840 L1855 I1859 | L1646-M1857 HydrophobicContact CD1-CB 4.44Å; L1646-M1857 HydrophobicContact CD1-CE 3.42Å; L1646-M1857 VanDerWaalsContact CD1-CE 3.42Å; L1646-M1857 HydrophobicContact CD1-SD 3.84Å; Y1647-M1857 CarbonylContact O-C 3.48Å; Y1647-M1857 WeakPolarHBondContact O-CA 3.29Å; Y1647-M1857 WeakPolarHBondContact O-CB 3.47Å; I1728-M1857 HydrophobicContact CD1-CE 3.63Å; I1728-M1857 HydrophobicContact CD1-SD 4.06Å; E1838-M1857 HydrophobicContact CG-CE 4.22Å; E1838-M1857 HydrophobicContact CG-CG 4.15Å; E1838-M1857 WeakPolarHBondContact CG-O 3.46Å; E1838-M1857 PolarHBondContact N-O 2.68Å; E1838-M1857 PolarHBondContact O-N 3.35Å; E1838-M1857 VanDerWaalsContact O-N 3.11Å; R1840-M1857 VanDerWaalsContact CD-SD 3.54Å; R1840-M1857 HydrophobicContact CG-CG 4.43Å; R1840-M1857 HydrophobicContact CG-SD 4.16Å; L1855-M1857 HydrophobicContact CD2-CG 4.46Å; L1855-M1857 HydrophobicContact CD2-SD 4.39Å; L1855-M1857 HydrophobicContact CG-CG 4.46Å; M1857-I1859 HydrophobicContact CE-CD1 4.22Å; M1857-I1859 HydrophobicContact CE-CG1 3.73Å |
| 1858 | W | 95 | Very high | 83.7 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 176.7 | 158.9 | 73.4 | 97.2 | 0 | 0 | 0 | 110.3 | W1412 Y1647 I1649 V1837 D1860 I1873 I1875 | W1412-W1858 HydrophobicContact CD2-CH2 4.41Å; W1412-W1858 AromaticContact CE2-CH2 3.58Å; W1412-W1858 HydrophobicContact CH2-CH2 4.23Å; W1412-W1858 AromaticContact CH2-CZ3 3.94Å; W1412-W1858 HydrophobicContact CH2-CZ3 3.94Å; W1412-W1858 AromaticContact CZ2-CH2 3.48Å; W1412-W1858 HydrophobicContact CZ2-CH2 3.48Å; W1412-W1858 VanDerWaalsContact CZ2-CH2 3.48Å; W1412-W1858 AromaticContact CZ2-CZ3 3.39Å; W1412-W1858 HydrophobicContact CZ2-CZ3 3.39Å; W1412-W1858 AromaticContact NE1-CH2 3.73Å; Y1647-W1858 HydrophobicContact CD1-CH2 4.23Å; Y1647-W1858 AromaticContact CD1-CZ2 3.78Å; Y1647-W1858 HydrophobicContact CD1-CZ2 3.78Å; Y1647-W1858 AromaticContact CD2-CD1 3.93Å; Y1647-W1858 HydrophobicContact CD2-CD2 4.2Å; Y1647-W1858 AromaticContact CD2-CE2 3.5Å; Y1647-W1858 HydrophobicContact CD2-CG 4.44Å; Y1647-W1858 AromaticContact CD2-CZ2 3.87Å; Y1647-W1858 HydrophobicContact CD2-CZ2 3.87Å; Y1647-W1858 AromaticContact CD2-NE1 3.27Å; Y1647-W1858 VanDerWaalsContact CD2-NE1 3.27Å; Y1647-W1858 HydrophobicContact CE1-CZ2 4.29Å; Y1647-W1858 HydrophobicContact CE2-CZ2 4.34Å; Y1647-W1858 AromaticContact CE2-NE1 3.67Å; Y1647-W1858 HydrophobicContact CG-CD2 4.15Å; Y1647-W1858 AromaticContact CG-CE2 3.55Å; Y1647-W1858 HydrophobicContact CG-CH2 4.11Å; Y1647-W1858 AromaticContact CG-CZ2 3.53Å; Y1647-W1858 HydrophobicContact CG-CZ2 3.53Å; Y1647-W1858 AromaticContact CG-NE1 3.86Å; Y1647-W1858 PolarHBondContact N-O 2.99Å; Y1647-W1858 PolarHBondContact O-N 2.73Å; I1649-W1858 HydrophobicContact CD1-CE3 4.15Å; I1649-W1858 HydrophobicContact CD1-CZ3 3.87Å; I1649-W1858 HydrophobicContact CG1-CE3 4.37Å; I1649-W1858 HydrophobicContact CG1-CZ3 3.86Å; V1837-W1858 HydrophobicContact CG2-CE3 4.07Å; V1837-W1858 HydrophobicContact CG2-CZ3 4.31Å; W1858-D1860 PolarHBondContact NE1-OD2 2.77Å; W1858-I1873 HydrophobicContact CZ2-CD1 3.88Å; W1858-I1875 HydrophobicContact CH2-CG2 3.77Å; W1858-I1875 HydrophobicContact CZ2-CG2 4.44Å |
| 1859 | I | 95.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.2 | 174.5 | -53.8 | 179.1 | 0 | 0 | 0 | 109.3 | V1644 R1645 L1646 L1707 I1728 I1730 M1857 M1861 | V1644-I1859 HydrophobicContact CG1-CG2 3.69Å; R1645-I1859 VanDerWaalsContact O-CA 3.26Å; R1645-I1859 WeakPolarHBondContact O-CA 3.19Å; L1646-I1859 HydrophobicContact CD1-CG1 4Å; L1707-I1859 HydrophobicContact CD2-CD1 3.53Å; L1707-I1859 HydrophobicContact CD2-CG1 4.39Å; I1728-I1859 HydrophobicContact CB-CD1 4.46Å; I1728-I1859 HydrophobicContact CD1-CD1 3.68Å; I1728-I1859 HydrophobicContact CG2-CD1 3.93Å; I1730-I1859 HydrophobicContact CD1-CD1 3.74Å; M1857-I1859 HydrophobicContact CE-CD1 4.22Å; M1857-I1859 HydrophobicContact CE-CG1 3.73Å; I1859-M1861 HydrophobicContact CG2-CG 3.94Å |
| 1860 | D | 94.4 | Very high | 86.5 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.5 | 164.4 | -61.2 | -45.8 | 0 | 0 | 0 | 110.2 | R1645 Y1647 T1741 W1858 F1862 | R1645-D1860 PolarHBondContact N-O 2.98Å; R1645-D1860 PolarHBondContact O-N 2.77Å; Y1647-D1860 HydrophobicContact CE2-CB 4.16Å; Y1647-D1860 WeakPolarHBondContact CE2-OD2 3.39Å; T1741-D1860 CarbonylContact O-C 3.47Å; T1741-D1860 WeakPolarHBondContact O-CA 3.48Å; W1858-D1860 PolarHBondContact NE1-OD2 2.77Å; D1860-F1862 HydrophobicContact CB-CE2 3.72Å; D1860-F1862 HydrophobicContact CB-CZ 3.74Å |
| 1861 | M | 94.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.7 | -174.9 | -69.8 | -178 | -93.3 | 0 | 0 | 112 | T1643 V1644 I1730 R1733 F1734 A1740 T1741 I1859 | T1643-M1861 WeakPolarHBondContact O-CA 3.38Å; V1644-M1861 HydrophobicContact CG1-CG 4.28Å; V1644-M1861 HydrophobicContact CG2-CG 4.29Å; I1730-M1861 HydrophobicContact CG2-SD 3.64Å; R1733-M1861 HydrophobicContact CB-CE 3.55Å; F1734-M1861 HydrophobicContact CB-SD 4.26Å; A1740-M1861 WeakPolarHBondContact O-CE 3.49Å; T1741-M1861 HydrophobicContact CG2-CB 4.43Å; T1741-M1861 HydrophobicContact CG2-CE 4.5Å; T1741-M1861 PolarHBondContact O-N 3.07Å; I1859-M1861 HydrophobicContact CG2-CG 3.94Å |
| 1862 | F | 92.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130 | -174.4 | -49.6 | -86.1 | 0 | 0 | 0 | 111.5 | L1642 T1643 D1860 R1864 P1869 P1870 | L1642-F1862 CarbonylContact C-O 3.52Å; L1642-F1862 VanDerWaalsContact CA-O 3.28Å; L1642-F1862 WeakPolarHBondContact CA-O 2.96Å; T1643-F1862 HydrophobicContact CG2-CD2 4.47Å; T1643-F1862 PolarHBondContact N-O 2.78Å; T1643-F1862 PolarHBondContact O-N 2.88Å; D1860-F1862 HydrophobicContact CB-CE2 3.72Å; D1860-F1862 HydrophobicContact CB-CZ 3.74Å; F1862-R1864 PolarHBondContact O-N 3.25Å; F1862-P1869 HydrophobicContact CB-CB 4.14Å; F1862-P1869 HydrophobicContact CB-CG 4.01Å; F1862-P1869 HydrophobicContact CD2-CB 3.97Å; F1862-P1869 HydrophobicContact CG-CB 3.96Å; F1862-P1869 HydrophobicContact CG-CG 4.38Å; F1862-P1870 HydrophobicContact CE1-CG 3.97Å; F1862-P1870 HydrophobicContact CZ-CG 4.2Å |
| 1863 | E | 88.6 | Confident | 87.6 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 111.1 | 174.9 | -178 | 175.8 | 176.5 | 0 | 0 | 110.7 | K1637 F1640 L1642 E1865 V1866 A1867 | K1637-E1863 IonicContact NZ-OE1 3.79Å; K1637-E1863 PolarHBondContact NZ-OE1 2.87Å; F1640-E1863 VanDerWaalsContact CD1-CD 3.47Å; F1640-E1863 HydrophobicContact CD1-CG 4.05Å; F1640-E1863 WeakPolarHBondContact CD1-OE1 3.34Å; F1640-E1863 WeakPolarHBondContact CE1-OE1 3.29Å; F1640-E1863 WeakPolarHBondContact CE1-OE2 3.23Å; L1642-E1863 HydrophobicContact CD2-CB 4.09Å; E1863-E1865 HydrophobicContact CG-CB 4.34Å; E1863-E1865 PolarHBondContact O-N 2.85Å; E1863-E1865 VanDerWaalsContact O-N 3.09Å; E1863-V1866 HydrophobicContact CB-CB 4.35Å; E1863-V1866 HydrophobicContact CB-CG2 4.21Å; E1863-V1866 VanDerWaalsContact CD-CG2 3.48Å; E1863-V1866 HydrophobicContact CG-CB 4.42Å; E1863-V1866 HydrophobicContact CG-CG2 3.89Å; E1863-V1866 PolarHBondContact O-N 3.15Å; E1863-A1867 PolarHBondContact O-N 3.15Å |
| 1864 | R | 82 | Confident | 87.3 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.7 | -174.5 | -70.1 | -167.3 | 173 | -139.3 | -12.8 | 114.5 | K1641 T1643 E1696 F1862 | K1641-R1864 WeakPolarHBondContact O-CB 3.45Å; K1641-R1864 PolarHBondContact O-N 3.04Å; T1643-R1864 WeakPolarHBondContact OG1-CG 3.46Å; T1643-R1864 VanDerWaalsContact OG1-CZ 3.29Å; T1643-R1864 PolarHBondContact OG1-NE 2.65Å; T1643-R1864 PolarHBondContact OG1-NH2 3.28Å; E1696-R1864 IonicContact OE1-NH2 3.31Å; E1696-R1864 PolarHBondContact OE1-NH2 3.32Å; F1862-R1864 PolarHBondContact O-N 3.25Å |
| 1865 | E | 79.3 | Confident | 86.8 | Confident | 128 Ų | 128 | 42.2 Ų | 42.2 | 60% | 0.598 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.2 | 176.8 | -66.9 | 178.3 | -173 | 0 | 0 | 113 | K1637 E1863 | K1637-E1865 IonicContact NZ-OE2 3.72Å; K1637-E1865 PolarHBondContact NZ-OE2 3.49Å; E1863-E1865 HydrophobicContact CG-CB 4.34Å; E1863-E1865 PolarHBondContact O-N 2.85Å; E1863-E1865 VanDerWaalsContact O-N 3.09Å |
| 1866 | V | 78.3 | Confident | 86 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -44.9 | -175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | Q1760 E1863 | Q1760-V1866 HydrophobicContact CG-CG1 4.42Å; E1863-V1866 HydrophobicContact CB-CB 4.35Å; E1863-V1866 HydrophobicContact CB-CG2 4.21Å; E1863-V1866 VanDerWaalsContact CD-CG2 3.48Å; E1863-V1866 HydrophobicContact CG-CB 4.42Å; E1863-V1866 HydrophobicContact CG-CG2 3.89Å; E1863-V1866 PolarHBondContact O-N 3.15Å |
| 1867 | A | 71.9 | Confident | 84.8 | Confident | 25 Ų | 25 | 47 Ų | 47 | 21% | 0.207 | 27% | 0.268 | C | S | . | . | trans | -153.3 | 158 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1863 | E1863-A1867 PolarHBondContact O-N 3.15Š| ||
| 1868 | V | 78.7 | Confident | 83.6 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 78% | 0.782 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 129.7 | 168.9 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1869 | P | 84.1 | Confident | 82.4 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 136.3 | 173.7 | -20.1 | 30.1 | 0 | 0 | 0 | 110.7 | T1643 F1862 | T1643-P1869 HydrophobicContact CG2-CG 4.2Å; T1643-P1869 WeakPolarHBondContact OG1-CG 3.43Å; F1862-P1869 HydrophobicContact CB-CB 4.14Å; F1862-P1869 HydrophobicContact CB-CG 4.01Å; F1862-P1869 HydrophobicContact CD2-CB 3.97Å; F1862-P1869 HydrophobicContact CG-CB 3.96Å; F1862-P1869 HydrophobicContact CG-CG 4.38Å |
| 1870 | P | 84.7 | Confident | 81.4 | Confident | 32 Ų | 32 | 56 Ų | 56 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 171.2 | 176.1 | 24.7 | -32.2 | 0 | 0 | 0 | 111.5 | R1645 K1757 F1862 | R1645-P1870 VanDerWaalsContact CZ-O 3.3Å; R1645-P1870 PolarHBondContact NH1-O 2.8Å; R1645-P1870 PolarHBondContact NH2-O 3.48Å; K1757-P1870 VanDerWaalsContact O-CG 3.27Å; K1757-P1870 WeakPolarHBondContact O-CG 3.47Å; F1862-P1870 HydrophobicContact CE1-CG 3.97Å; F1862-P1870 HydrophobicContact CZ-CG 4.2Å |
| 1871 | P | 82.9 | Confident | 80.5 | Confident | 116 Ų | 116 | 59 Ų | 59 | 75% | 0.753 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 145.3 | 170 | -26.1 | 35.7 | 0 | 0 | 0 | 111.9 | ||
| 1872 | A | 83.9 | Confident | 80 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 142.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1694 N1874 | Y1694-A1872 HydrophobicContact CD1-CB 4.02Å; Y1694-A1872 HydrophobicContact CD2-CB 4.04Å; Y1694-A1872 HydrophobicContact CE1-CB 3.52Å; Y1694-A1872 HydrophobicContact CE2-CB 3.54Å; Y1694-A1872 HydrophobicContact CG-CB 4.27Å; A1872-N1874 PolarHBondContact O-N 2.63Å |
| 1873 | I | 85.4 | Confident | 79.8 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 123 | -179.7 | -56.6 | 154.8 | 0 | 0 | 0 | 108.1 | W1412 Y1647 K1757 W1858 I1875 | W1412-I1873 HydrophobicContact CB-CG2 4.12Å; W1412-I1873 HydrophobicContact CG-CG2 4.02Å; Y1647-I1873 HydrophobicContact CE1-CB 3.83Å; Y1647-I1873 HydrophobicContact CE1-CD1 4.35Å; Y1647-I1873 HydrophobicContact CE1-CG1 4.41Å; Y1647-I1873 PolarHBondContact OH-N 2.68Å; K1757-I1873 HydrophobicContact CD-CD1 3.7Å; K1757-I1873 HydrophobicContact CD-CG1 4.47Å; K1757-I1873 VanDerWaalsContact CE-CD1 3.48Å; K1757-I1873 HydrophobicContact CG-CD1 4.18Å; W1858-I1873 HydrophobicContact CZ2-CD1 3.88Å; I1873-I1875 HydrophobicContact CB-CG2 4.35Å; I1873-I1875 HydrophobicContact CG2-CG2 3.86Å; I1873-I1875 PolarHBondContact O-N 2.69Å; I1873-I1875 VanDerWaalsContact O-N 3.08Å |
| 1874 | N | 80.1 | Confident | 79.8 | Confident | 115 Ų | 115 | 59.9 Ų | 59.9 | 62% | 0.615 | 35% | 0.348 | S | S | * | . | trans | -70.6 | 109.6 | 173.7 | -173.6 | 6.5 | 0 | 0 | 0 | 109.9 | A1872 S1876 | A1872-N1874 PolarHBondContact O-N 2.63Å; N1874-S1876 PolarHBondContact ND2-OG 2.96Å; N1874-S1876 VanDerWaalsContact OD1-CB 3.31Å; N1874-S1876 WeakPolarHBondContact OD1-CB 3.35Å; N1874-S1876 PolarHBondContact OD1-N 2.81Å; N1874-S1876 PolarHBondContact OD1-OG 3.44Å | ||
| 1875 | I | 84.3 | Confident | 80.2 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | trans | -114.4 | 12.8 | 176.6 | 65.3 | 155.4 | 0 | 0 | 0 | 112.6 | W1412 W1413 Y1647 G1692 W1858 I1873 | W1412-I1875 HydrophobicContact CD2-CG2 3.79Å; W1412-I1875 HydrophobicContact CE3-CB 4.08Å; W1412-I1875 HydrophobicContact CE3-CG2 3.77Å; W1412-I1875 HydrophobicContact CG-CG2 4.19Å; W1412-I1875 HydrophobicContact CZ3-CB 4.34Å; W1412-I1875 HydrophobicContact CZ3-CG2 4.27Å; W1413-I1875 PolarHBondContact NE1-O 2.68Å; Y1647-I1875 HydrophobicContact CD1-CD1 3.94Å; Y1647-I1875 HydrophobicContact CD1-CG1 4.14Å; Y1647-I1875 HydrophobicContact CD1-CG2 4.26Å; Y1647-I1875 HydrophobicContact CG-CD1 4.47Å; G1692-I1875 CarbonylContact C-O 3.59Å; G1692-I1875 WeakPolarHBondContact CA-O 3.44Å; G1692-I1875 CarbonylContact O-C 3.01Å; G1692-I1875 VanDerWaalsContact O-C 3.3Å; W1858-I1875 HydrophobicContact CH2-CG2 3.77Å; W1858-I1875 HydrophobicContact CZ2-CG2 4.44Å; I1873-I1875 HydrophobicContact CB-CG2 4.35Å; I1873-I1875 HydrophobicContact CG2-CG2 3.86Å; I1873-I1875 PolarHBondContact O-N 2.69Å; I1873-I1875 VanDerWaalsContact O-N 3.08Å | ||
| 1876 | S | 80.1 | Confident | 80.8 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -54 | 139.5 | 175.8 | 57.1 | 0 | 0 | 0 | 0 | 111 | W1413 G1692 N1874 R1878 | W1413-S1876 PolarHBondContact NE1-O 3.25Å; G1692-S1876 VanDerWaalsContact O-CA 3.23Å; G1692-S1876 WeakPolarHBondContact O-CA 3.47Å; G1692-S1876 PolarHBondContact O-N 2.84Å; N1874-S1876 PolarHBondContact ND2-OG 2.96Å; N1874-S1876 VanDerWaalsContact OD1-CB 3.31Å; N1874-S1876 WeakPolarHBondContact OD1-CB 3.35Å; N1874-S1876 PolarHBondContact OD1-N 2.81Å; N1874-S1876 PolarHBondContact OD1-OG 3.44Å; S1876-R1878 PolarHBondContact O-N 3.13Å |
| 1877 | P | 70.5 | Confident | 81.4 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 139.2 | 174.9 | -20.9 | 34.4 | 0 | 0 | 0 | 109.8 | V1690 V1879 | V1690-P1877 HydrophobicContact CG1-CG 4.01Å; P1877-V1879 PolarHBondContact O-N 3.46Å |
| 1878 | R | 70.4 | Confident | 82.3 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 122.1 | -179.1 | -70.1 | 174 | 173.5 | 170.8 | -7.5 | 110.9 | D1411 T1414 S1876 I1951 A1953 | D1411-R1878 IonicContact OD1-CZ 3.4Å; D1411-R1878 IonicContact OD1-NE 2.78Å; D1411-R1878 PolarHBondContact OD1-NE 3.28Å; D1411-R1878 IonicContact OD1-NH2 2.74Å; D1411-R1878 PolarHBondContact OD1-NH2 3.41Å; D1411-R1878 IonicContact OD2-CZ 3.39Å; D1411-R1878 IonicContact OD2-NE 3.22Å; D1411-R1878 PolarHBondContact OD2-NE 3.04Å; D1411-R1878 IonicContact OD2-NH2 2.91Å; D1411-R1878 PolarHBondContact OD2-NH2 2.99Å; T1414-R1878 PolarHBondContact OG1-NH2 3.16Å; S1876-R1878 PolarHBondContact O-N 3.13Å; R1878-I1951 HydrophobicContact CB-CG2 4.21Å; R1878-A1953 VanDerWaalsContact NH1-CB 3.28Å; R1878-A1953 PolarHBondContact NH1-O 3.36Å |
| 1879 | V | 69.7 | Low | 83 | Confident | 122 Ų | 122 | 38.6 Ų | 38.6 | 74% | 0.739 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -67.5 | 127.6 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | P1877 | P1877-V1879 PolarHBondContact O-N 3.46Š|
| 1880 | P | 73.7 | Confident | 83.4 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 153.4 | 171.7 | -19.3 | 32.2 | 0 | 0 | 0 | 112 | D1949 I1951 T1958 | P1880-D1949 HydrophobicContact CB-CB 3.7Å; P1880-I1951 HydrophobicContact CB-CG1 4.05Å; P1880-I1951 HydrophobicContact CG-CD1 4.23Å; P1880-I1951 HydrophobicContact CG-CG1 4.07Å; P1880-T1958 WeakPolarHBondContact CB-OG1 3.42Å; P1880-T1958 HydrophobicContact CG-CG2 4.19Å; P1880-T1958 VanDerWaalsContact CG-OG1 3.31Å; P1880-T1958 WeakPolarHBondContact CG-OG1 3.1Å |
| 1881 | T | 76.5 | Confident | 83.7 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.4 | 174 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | Y1883 Y1950 | T1881-Y1883 VanDerWaalsContact O-CD2 3.31Å; T1881-Y1883 WeakPolarHBondContact O-CD2 3.11Å; T1881-Y1950 PolarHBondContact N-O 2.93Å; T1881-Y1950 PolarHBondContact O-N 2.64Å; T1881-Y1950 PolarHBondContact OG1-O 3.32Å |
| 1882 | G | 82.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 135.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1949 S2063 | G1882-D1949 WeakPolarHBondContact CA-OD1 3.34Å; G1882-D1949 PolarHBondContact N-OD1 3.22Å; G1882-S2063 PolarHBondContact O-N 3.43Å |
| 1883 | Y | 86.9 | Confident | 84.5 | Confident | 38 Ų | 38 | 33.3 Ų | 33.3 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 161.7 | 176.9 | -82 | -99.9 | 0 | 0 | 0 | 110.9 | T1881 P1947 F1948 Y1950 F2029 M2060 L2061 | T1881-Y1883 VanDerWaalsContact O-CD2 3.31Å; T1881-Y1883 WeakPolarHBondContact O-CD2 3.11Å; Y1883-P1947 CarbonylContact O-C 3.53Å; Y1883-P1947 WeakPolarHBondContact O-CA 3.36Å; Y1883-F1948 HydrophobicContact CG-CE2 4.47Å; Y1883-F1948 PolarHBondContact N-O 2.8Å; Y1883-F1948 PolarHBondContact O-N 3.07Å; Y1883-Y1950 HydrophobicContact CD2-CD1 4.1Å; Y1883-Y1950 HydrophobicContact CD2-CG 4.48Å; Y1883-Y1950 AromaticContact CE2-CD1 3.9Å; Y1883-Y1950 HydrophobicContact CE2-CD1 3.9Å; Y1883-F2029 HydrophobicContact CD1-CD1 4.04Å; Y1883-F2029 HydrophobicContact CD1-CE1 4.13Å; Y1883-F2029 AromaticContact CE1-CD1 3.9Å; Y1883-F2029 HydrophobicContact CE1-CD1 3.9Å; Y1883-F2029 HydrophobicContact CE1-CE1 4.4Å; Y1883-F2029 HydrophobicContact CG-CE1 4.3Å; Y1883-M2060 HydrophobicContact CD1-CE 4.17Å; Y1883-M2060 HydrophobicContact CD1-CG 4.41Å; Y1883-M2060 HydrophobicContact CD1-SD 4.4Å; Y1883-L2061 CarbonylContact C-O 3.42Å; Y1883-L2061 WeakPolarHBondContact CA-O 3.45Å; Y1883-L2061 WeakPolarHBondContact CB-O 3.44Å; Y1883-L2061 WeakPolarHBondContact CD1-O 3.49Å |
| 1884 | E | 88.7 | Confident | 84.8 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135.4 | 172.6 | -153.3 | -142.3 | 103.3 | 0 | 0 | 113.4 | L1451 E1452 F1946 P1947 M2060 L2061 A2066 | L1451-E1884 VanDerWaalsContact C-OE2 3.3Å; L1451-E1884 WeakPolarHBondContact CA-OE1 3.44Å; L1451-E1884 WeakPolarHBondContact CA-OE2 3.1Å; L1451-E1884 PolarHBondContact N-OE1 3.19Å; L1451-E1884 VanDerWaalsContact N-OE1 3.15Å; L1451-E1884 PolarHBondContact N-OE2 2.74Å; E1452-E1884 PolarHBondContact N-OE1 3.46Å; E1884-F1946 CarbonylContact C-O 3.43Å; E1884-F1946 WeakPolarHBondContact CA-O 3.32Å; E1884-F1946 VanDerWaalsContact CG-C 3.48Å; E1884-P1947 HydrophobicContact CG-CB 4.34Å; E1884-M2060 WeakPolarHBondContact O-CE 3.48Å; E1884-L2061 PolarHBondContact N-O 3.01Å; E1884-L2061 WeakPolarHBondContact O-CD1 3.45Å; E1884-L2061 PolarHBondContact O-N 3.29Å; E1884-A2066 HydrophobicContact CB-CB 4.08Å |
| 1885 | L | 90.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 106.2 | -173.2 | 177.6 | 73.9 | 0 | 0 | 0 | 115.6 | V1917 I1945 F1946 F1948 L1978 L2001 M2028 E2059 M2060 | L1885-V1917 HydrophobicContact CD2-CG2 4Å; L1885-I1945 CarbonylContact O-C 3.58Å; L1885-I1945 WeakPolarHBondContact O-CA 3.31Å; L1885-I1945 PolarHBondContact O-N 3.06Å; L1885-F1946 VanDerWaalsContact C-N 3.29Å; L1885-F1946 HydrophobicContact CB-CB 4.17Å; L1885-F1946 PolarHBondContact N-O 2.73Å; L1885-F1946 PolarHBondContact O-N 2.69Å; L1885-F1948 HydrophobicContact CB-CE1 4.01Å; L1885-L1978 HydrophobicContact CD2-CD2 4.35Å; L1885-L2001 HydrophobicContact CD1-CD1 4.22Å; L1885-L2001 HydrophobicContact CD2-CD1 3.67Å; L1885-L2001 HydrophobicContact CD2-CD2 3.98Å; L1885-L2001 HydrophobicContact CD2-CG 4.46Å; L1885-L2001 HydrophobicContact CG-CD1 4.42Å; L1885-M2028 HydrophobicContact CD1-CE 4.32Å; L1885-E2059 CarbonylContact C-O 3.43Å; L1885-E2059 WeakPolarHBondContact CA-O 3.49Å; L1885-M2060 HydrophobicContact CB-CE 3.67Å; L1885-M2060 HydrophobicContact CD1-CB 4.21Å; L1885-M2060 HydrophobicContact CD1-CE 4.2Å; L1885-M2060 HydrophobicContact CD1-SD 4.17Å |
| 1886 | R | 91.3 | Very high | 85.3 | Confident | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.038 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 149.4 | 162.1 | -93.2 | -86.1 | -161.8 | 85.6 | 14.6 | 114.4 | L1451 E1452 I1888 F1944 I1945 L2058 E2059 | L1451-R1886 VanDerWaalsContact CD2-NH2 3.27Å; E1452-R1886 HydrophobicContact CB-CG 3.41Å; E1452-R1886 VanDerWaalsContact CB-CG 3.41Å; E1452-R1886 VanDerWaalsContact CB-NH2 3.28Å; E1452-R1886 VanDerWaalsContact CD-NH2 3.31Å; E1452-R1886 HydrophobicContact CG-CG 3.74Å; E1452-R1886 WeakPolarHBondContact OE1-CG 3.24Å; E1452-R1886 IonicContact OE1-CZ 3.88Å; E1452-R1886 IonicContact OE1-NE 2.68Å; E1452-R1886 IonicContact OE1-NH1 2.92Å; E1452-R1886 PolarHBondContact OE1-NH1 3.4Å; E1452-R1886 IonicContact OE1-NH2 3.53Å; E1452-R1886 IonicContact OE2-CZ 3.23Å; E1452-R1886 IonicContact OE2-NE 2.68Å; E1452-R1886 IonicContact OE2-NH1 2.7Å; E1452-R1886 PolarHBondContact OE2-NH1 3.05Å; E1452-R1886 IonicContact OE2-NH2 3.63Å; E1452-R1886 PolarHBondContact OE2-NH2 2.98Å; R1886-I1888 VanDerWaalsContact NH1-CD1 3.32Å; R1886-F1944 WeakPolarHBondContact CA-O 3.32Å; R1886-F1944 WeakPolarHBondContact CD-O 3.41Å; R1886-I1945 HydrophobicContact CG-CG2 4.13Å; R1886-L2058 CarbonylContact O-C 3.43Å; R1886-L2058 VanDerWaalsContact O-CA 3.22Å; R1886-L2058 WeakPolarHBondContact O-CA 3.45Å; R1886-E2059 HydrophobicContact CB-CB 3.83Å; R1886-E2059 HydrophobicContact CG-CB 4.43Å; R1886-E2059 PolarHBondContact N-O 3.29Å; R1886-E2059 PolarHBondContact O-N 2.93Å |
| 1887 | V | 92.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 113.5 | 150.9 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | E1448 F1944 L1978 C2056 Q2057 L2058 | E1448-V1887 WeakPolarHBondContact OE1-CG2 3.46Å; E1448-V1887 VanDerWaalsContact OE2-CB 3.24Å; E1448-V1887 WeakPolarHBondContact OE2-CB 3.29Å; E1448-V1887 WeakPolarHBondContact OE2-CG2 3.33Å; V1887-F1944 CarbonylContact C-O 3.5Å; V1887-F1944 HydrophobicContact CB-CB 4.14Å; V1887-F1944 VanDerWaalsContact N-C 3.26Å; V1887-F1944 PolarHBondContact N-O 3.39Å; V1887-F1944 CarbonylContact O-C 3.55Å; V1887-F1944 VanDerWaalsContact O-CA 3.23Å; V1887-F1944 WeakPolarHBondContact O-CA 3.48Å; V1887-F1944 VanDerWaalsContact O-CB 3.22Å; V1887-F1944 WeakPolarHBondContact O-CB 3.22Å; V1887-F1944 PolarHBondContact O-N 3.38Å; V1887-L1978 HydrophobicContact CG2-CD1 4.49Å; V1887-L1978 HydrophobicContact CG2-CD2 3.83Å; V1887-C2056 HydrophobicContact CG1-CB 3.68Å; V1887-Q2057 CarbonylContact C-O 3.53Å; V1887-Q2057 WeakPolarHBondContact CA-O 3.39Å; V1887-L2058 HydrophobicContact CB-CD2 4.17Å; V1887-L2058 HydrophobicContact CG1-CD2 3.84Å; V1887-L2058 HydrophobicContact CG2-CD2 3.55Å |
| 1888 | I | 90.7 | Very high | 85.8 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.8 | 164.5 | -55.5 | 162.2 | 0 | 0 | 0 | 108.3 | R1886 W1890 W1942 R1943 C2056 Q2057 L2081 | R1886-I1888 VanDerWaalsContact NH1-CD1 3.32Å; I1888-W1890 HydrophobicContact CD1-CZ2 4.09Å; I1888-W1890 HydrophobicContact CG2-CD2 4.02Å; I1888-W1890 HydrophobicContact CG2-CG 4.13Å; I1888-W1890 HydrophobicContact CG2-CZ2 4.13Å; I1888-W1890 PolarHBondContact O-N 3.14Å; I1888-W1942 CarbonylContact C-O 3.49Å; I1888-W1942 WeakPolarHBondContact CA-O 3.34Å; I1888-W1942 WeakPolarHBondContact CG2-O 3.45Å; I1888-R1943 HydrophobicContact CG1-CB 4.49Å; I1888-R1943 HydrophobicContact CG1-CG 4.09Å; I1888-C2056 CarbonylContact O-C 3.6Å; I1888-C2056 WeakPolarHBondContact O-CA 3.34Å; I1888-C2056 VanDerWaalsContact O-CB 3.31Å; I1888-C2056 WeakPolarHBondContact O-CB 3.32Å; I1888-Q2057 HydrophobicContact CB-CB 4.24Å; I1888-Q2057 HydrophobicContact CD1-CB 4.43Å; I1888-Q2057 HydrophobicContact CD1-CG 4.47Å; I1888-Q2057 PolarHBondContact N-O 3.02Å; I1888-Q2057 PolarHBondContact O-N 3.37Å; I1888-L2081 HydrophobicContact CG2-CD1 4.02Å |
| 1889 | V | 93.3 | Very high | 86 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 109.7 | 165.7 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | V1913 T1927 F1940 N1941 W1942 F1944 V2054 | V1889-V1913 HydrophobicContact CG1-CB 4.29Å; V1889-V1913 HydrophobicContact CG1-CG1 4.43Å; V1889-V1913 HydrophobicContact CG1-CG2 4.05Å; V1889-V1913 HydrophobicContact CG2-CG1 4.17Å; V1889-T1927 HydrophobicContact CB-CG2 4.24Å; V1889-T1927 HydrophobicContact CG1-CG2 4.19Å; V1889-F1940 HydrophobicContact CG1-CB 4.31Å; V1889-F1940 HydrophobicContact CG1-CD2 3.86Å; V1889-F1940 HydrophobicContact CG1-CG 4.32Å; V1889-N1941 PolarHBondContact O-N 2.78Å; V1889-W1942 PolarHBondContact N-O 3.2Å; V1889-W1942 PolarHBondContact O-N 3.11Å; V1889-F1944 HydrophobicContact CG2-CD2 3.64Å; V1889-F1944 HydrophobicContact CG2-CE2 3.48Å; V1889-F1944 VanDerWaalsContact CG2-CE2 3.48Å; V1889-F1944 HydrophobicContact CG2-CZ 4.49Å; V1889-V2054 HydrophobicContact CG1-CG2 4.18Å |
| 1890 | W | 91.6 | Very high | 85.8 | Confident | 44 Ų | 44 | 33.2 Ų | 33.2 | 17% | 0.167 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -61.7 | -179.7 | -75.7 | 98.2 | 0 | 0 | 0 | 110.8 | I1888 F1940 N1941 R2035 E2055 | I1888-W1890 HydrophobicContact CD1-CZ2 4.09Å; I1888-W1890 HydrophobicContact CG2-CD2 4.02Å; I1888-W1890 HydrophobicContact CG2-CG 4.13Å; I1888-W1890 HydrophobicContact CG2-CZ2 4.13Å; I1888-W1890 PolarHBondContact O-N 3.14Å; W1890-F1940 PolarHBondContact O-N 3.09Å; W1890-N1941 PolarHBondContact O-N 3.42Å; W1890-R2035 VanDerWaalsContact CE2-NH1 3.28Å; W1890-E2055 HydrophobicContact CB-CB 4.25Å; W1890-E2055 HydrophobicContact CB-CG 4.18Å; W1890-E2055 PolarHBondContact N-O 2.77Å |
| 1891 | N | 92.7 | Very high | 85.1 | Confident | 32 Ų | 32 | 33.1 Ų | 33.1 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.5 | -172.6 | -59.6 | -70.9 | 0 | 0 | 0 | 111.1 | G1938 N1939 W2037 E2055 | N1891-G1938 CarbonylContact C-O 3.6Å; N1891-G1938 WeakPolarHBondContact CA-O 3.47Å; N1891-N1939 PolarHBondContact OD1-ND2 3.1Å; N1891-W2037 HydrophobicContact CB-CH2 3.94Å; N1891-W2037 HydrophobicContact CB-CZ2 4.44Å; N1891-E2055 HydrophobicContact CB-CB 4.25Å; N1891-E2055 PolarHBondContact ND2-OE2 2.91Å; N1891-E2055 PolarHBondContact O-N 2.81Å |
| 1892 | T | 92.8 | Very high | 84.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 159.8 | 155.5 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | V1895 V1913 E1937 G1938 F1940 V1982 K2053 V2054 | T1892-V1895 HydrophobicContact CG2-CG2 4.48Å; T1892-V1913 HydrophobicContact CG2-CG2 3.9Å; T1892-E1937 WeakPolarHBondContact O-CA 3.2Å; T1892-G1938 PolarHBondContact N-O 2.76Å; T1892-G1938 PolarHBondContact O-N 2.86Å; T1892-G1938 VanDerWaalsContact O-N 3.12Å; T1892-G1938 WeakPolarHBondContact OG1-CA 3.41Å; T1892-G1938 PolarHBondContact OG1-N 2.8Å; T1892-G1938 VanDerWaalsContact OG1-N 3.13Å; T1892-F1940 HydrophobicContact CG2-CE2 3.97Å; T1892-V1982 HydrophobicContact CG2-CG2 4.39Å; T1892-K2053 CarbonylContact C-O 3.35Å; T1892-K2053 WeakPolarHBondContact CA-O 3.37Å; T1892-K2053 WeakPolarHBondContact CB-O 3.38Å; T1892-V2054 HydrophobicContact CG2-CB 4.38Å; T1892-V2054 HydrophobicContact CG2-CG2 4.3Å |
| 1893 | A | 90.4 | Very high | 82.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 159.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1895 G1936 A2011 W2037 K2053 | A1893-V1895 PolarHBondContact O-N 3.1Å; A1893-V1895 VanDerWaalsContact O-N 3.16Å; A1893-G1936 CarbonylContact C-O 3.58Å; A1893-G1936 WeakPolarHBondContact CA-O 3.33Å; A1893-A2011 HydrophobicContact CB-CB 3.92Å; A1893-W2037 HydrophobicContact CB-CH2 3.7Å; A1893-W2037 HydrophobicContact CB-CZ3 3.54Å; A1893-K2053 PolarHBondContact N-O 3.29Å; A1893-K2053 PolarHBondContact O-N 3.16Å |
| 1894 | D | 90.2 | Very high | 81.1 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 53.7 | 27 | -179.6 | -55.2 | -34.8 | 0 | 0 | 0 | 114 | G1936 K2053 | D1894-G1936 PolarHBondContact N-O 2.87Å; D1894-K2053 HydrophobicContact CB-CD 4.24Å; D1894-K2053 WeakPolarHBondContact OD2-CD 3.29Å; D1894-K2053 VanDerWaalsContact OD2-CE 3.3Å; D1894-K2053 WeakPolarHBondContact OD2-CE 3.33Å; D1894-K2053 IonicContact OD2-NZ 3.02Å; D1894-K2053 PolarHBondContact OD2-NZ 2.9Å |
| 1895 | V | 90.4 | Very high | 79.7 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | trans | -71.9 | 132 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | T1892 A1893 L1897 I1911 G1936 V1982 I1994 Q2051 | T1892-V1895 HydrophobicContact CG2-CG2 4.48Å; A1893-V1895 PolarHBondContact O-N 3.1Å; A1893-V1895 VanDerWaalsContact O-N 3.16Å; V1895-L1897 PolarHBondContact O-N 2.84Å; V1895-I1911 HydrophobicContact CB-CD1 3.9Å; V1895-I1911 HydrophobicContact CG1-CD1 3.97Å; V1895-I1911 HydrophobicContact CG1-CG1 4.28Å; V1895-I1911 HydrophobicContact CG1-CG2 4.45Å; V1895-I1911 HydrophobicContact CG2-CD1 4.24Å; V1895-G1936 WeakPolarHBondContact CB-O 3.16Å; V1895-G1936 VanDerWaalsContact CG2-O 3.32Å; V1895-G1936 WeakPolarHBondContact CG2-O 3.41Å; V1895-G1936 PolarHBondContact N-O 2.67Å; V1895-G1936 WeakPolarHBondContact O-CA 3.27Å; V1895-V1982 HydrophobicContact CG1-CG1 4.15Å; V1895-V1982 HydrophobicContact CG2-CG1 4.39Å; V1895-I1994 HydrophobicContact CG1-CD1 3.58Å; V1895-I1994 HydrophobicContact CG1-CG2 3.99Å; V1895-Q2051 WeakPolarHBondContact CA-O 3.19Å | ||
| 1896 | K | 86.1 | Confident | 78.8 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | trans | -56.7 | 116.9 | 176.7 | 169.1 | 171.6 | 160.7 | -169.8 | 0 | 111.9 | T1898 S1909 I1994 E2044 Q2051 | K1896-T1898 PolarHBondContact O-N 3.07Å; K1896-S1909 PolarHBondContact O-OG 3.49Å; K1896-I1994 HydrophobicContact CB-CG2 3.99Å; K1896-E2044 IonicContact NZ-OE1 2.85Å; K1896-E2044 PolarHBondContact NZ-OE1 2.81Å; K1896-Q2051 PolarHBondContact N-O 3.3Å | ||
| 1897 | L | 83.8 | Confident | 78.2 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | trans | -77.6 | 105.3 | 177 | -55.9 | -178.8 | 0 | 0 | 0 | 110.9 | V1895 R1907 S1908 S1909 | V1895-L1897 PolarHBondContact O-N 2.84Å; L1897-R1907 HydrophobicContact CB-CB 3.83Å; L1897-R1907 HydrophobicContact CD1-CB 4.25Å; L1897-S1908 CarbonylContact C-O 3.38Å; L1897-S1909 WeakPolarHBondContact CA-OG 3.43Å | ||
| 1898 | T | 76.5 | Confident | 77.7 | Confident | 53 Ų | 53 | 64 Ų | 64 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | trans | -84.3 | -40.9 | -176.2 | 39.7 | 0 | 0 | 0 | 0 | 113 | K1896 S1908 S1909 D1984 | K1896-T1898 PolarHBondContact O-N 3.07Å; T1898-S1908 PolarHBondContact N-O 3.05Å; T1898-S1909 PolarHBondContact N-OG 3.38Å; T1898-S1909 VanDerWaalsContact N-OG 3.15Å; T1898-S1909 PolarHBondContact OG1-OG 2.99Å; T1898-D1984 WeakPolarHBondContact CB-OD2 3.32Å; T1898-D1984 PolarHBondContact OG1-OD1 3.31Å; T1898-D1984 PolarHBondContact OG1-OD2 3.35Å | ||
| 1899 | D | 75 | Confident | 77.5 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 147.5 | -169.3 | -156.3 | 16.1 | 0 | 0 | 0 | 111.4 | R1907 S1908 | D1899-R1907 WeakPolarHBondContact O-CA 3.33Å; D1899-R1907 VanDerWaalsContact O-CB 3.28Å; D1899-R1907 WeakPolarHBondContact O-CB 3.46Å; D1899-S1908 WeakPolarHBondContact CA-O 3.38Å; D1899-S1908 WeakPolarHBondContact CB-O 3.26Å; D1899-S1908 PolarHBondContact N-O 2.89Å; D1899-S1908 PolarHBondContact O-N 2.59Å; D1899-S1908 VanDerWaalsContact O-N 3.12Å; D1899-S1908 PolarHBondContact OD2-OG 3.3Å |
| 1900 | A | 66.2 | Low | 77.2 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 58% | 0.579 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 113.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1902 | A1900-L1902 PolarHBondContact O-N 2.65Å |
| 1901 | S | 57.2 | Low | 77.2 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | trans | -66.7 | 126.7 | -169.2 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | F1903 S1904 E1906 | S1901-F1903 PolarHBondContact O-N 2.95Å; S1901-S1904 CarbonylContact C-O 3.16Å; S1901-S1904 WeakPolarHBondContact CB-O 3.39Å; S1901-S1904 PolarHBondContact O-N 2.8Å; S1901-S1904 VanDerWaalsContact O-N 3.11Å; S1901-E1906 PolarHBondContact N-O 3.2Å | ||
| 1902 | L | 56.9 | Low | 77.2 | Confident | 166 Ų | 166 | 61.3 Ų | 61.3 | 87% | 0.869 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -11 | 178.7 | -72.8 | 169.3 | 0 | 0 | 0 | 115.1 | A1900 | A1900-L1902 PolarHBondContact O-N 2.65Š|
| 1903 | F | 53.4 | Low | 77.1 | Confident | 202 Ų | 202 | 61.2 Ų | 61.2 | 89% | 0.886 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | -0.9 | 179.7 | -58.6 | -76.1 | 0 | 0 | 0 | 114.2 | S1901 | S1901-F1903 PolarHBondContact O-N 2.95Š|
| 1904 | S | 52.4 | Low | 77.1 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -149 | 139.3 | -174.6 | -177 | 0 | 0 | 0 | 0 | 110 | S1901 E1906 | S1901-S1904 CarbonylContact C-O 3.16Å; S1901-S1904 WeakPolarHBondContact CB-O 3.39Å; S1901-S1904 PolarHBondContact O-N 2.8Å; S1901-S1904 VanDerWaalsContact O-N 3.11Å; S1904-E1906 WeakPolarHBondContact CB-OE2 3.45Å; S1904-E1906 PolarHBondContact O-N 2.97Å; S1904-E1906 VanDerWaalsContact O-N 3.1Å; S1904-E1906 VanDerWaalsContact OG-CG 3.23Å; S1904-E1906 WeakPolarHBondContact OG-CG 3.46Å; S1904-E1906 PolarHBondContact OG-N 2.82Å; S1904-E1906 PolarHBondContact OG-OE2 3.2Å |
| 1905 | S | 60.2 | Low | 77.1 | Confident | 132 Ų | 132 | 56.8 Ų | 56.8 | 92% | 0.923 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -74.9 | 6.4 | 175.6 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1906 | E | 72.5 | Confident | 77 | Confident | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | trans | -64.2 | 136.3 | 167.9 | -67.8 | 159.9 | 158.4 | 0 | 0 | 110.5 | S1901 S1904 R1932 L1934 | S1901-E1906 PolarHBondContact N-O 3.2Å; S1904-E1906 WeakPolarHBondContact CB-OE2 3.45Å; S1904-E1906 PolarHBondContact O-N 2.97Å; S1904-E1906 VanDerWaalsContact O-N 3.1Å; S1904-E1906 VanDerWaalsContact OG-CG 3.23Å; S1904-E1906 WeakPolarHBondContact OG-CG 3.46Å; S1904-E1906 PolarHBondContact OG-N 2.82Å; S1904-E1906 PolarHBondContact OG-OE2 3.2Å; E1906-R1932 IonicContact OE2-NH2 2.8Å; E1906-R1932 PolarHBondContact OE2-NH2 2.96Å; E1906-L1934 HydrophobicContact CB-CD2 4.44Å | ||
| 1907 | R | 78.7 | Confident | 77 | Confident | 166 Ų | 166 | 55.2 Ų | 55.2 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 155.2 | 163.9 | -64.2 | -171.6 | -176 | -177.2 | -0.7 | 110.4 | L1897 D1899 L1934 | L1897-R1907 HydrophobicContact CB-CB 3.83Å; L1897-R1907 HydrophobicContact CD1-CB 4.25Å; D1899-R1907 WeakPolarHBondContact O-CA 3.33Å; D1899-R1907 VanDerWaalsContact O-CB 3.28Å; D1899-R1907 WeakPolarHBondContact O-CB 3.46Å; R1907-L1934 WeakPolarHBondContact O-CD2 3.2Å |
| 1908 | S | 81.8 | Confident | 76.3 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 179.6 | 174.5 | 38.8 | 0 | 0 | 0 | 0 | 111.1 | L1897 T1898 D1899 S1933 | L1897-S1908 CarbonylContact C-O 3.38Å; T1898-S1908 PolarHBondContact N-O 3.05Å; D1899-S1908 WeakPolarHBondContact CA-O 3.38Å; D1899-S1908 WeakPolarHBondContact CB-O 3.26Å; D1899-S1908 PolarHBondContact N-O 2.89Å; D1899-S1908 PolarHBondContact O-N 2.59Å; D1899-S1908 VanDerWaalsContact O-N 3.12Å; D1899-S1908 PolarHBondContact OD2-OG 3.3Å; S1908-S1933 CarbonylContact C-O 3.41Å; S1908-S1933 WeakPolarHBondContact CA-O 3.44Å; S1908-S1933 WeakPolarHBondContact CB-O 3.31Å |
| 1909 | S | 85.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.7 | 153.7 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | K1896 L1897 T1898 I1911 S1933 D1984 | K1896-S1909 PolarHBondContact O-OG 3.49Å; L1897-S1909 WeakPolarHBondContact CA-OG 3.43Å; T1898-S1909 PolarHBondContact N-OG 3.38Å; T1898-S1909 VanDerWaalsContact N-OG 3.15Å; T1898-S1909 PolarHBondContact OG1-OG 2.99Å; S1909-I1911 PolarHBondContact O-N 2.85Å; S1909-S1933 PolarHBondContact N-O 3.47Å; S1909-S1933 VanDerWaalsContact N-O 3.15Å; S1909-S1933 PolarHBondContact O-N 2.82Å; S1909-D1984 WeakPolarHBondContact CA-OD1 3.11Å; S1909-D1984 WeakPolarHBondContact CB-OD1 3.34Å |
| 1910 | D | 87.5 | Confident | 75.4 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 70.5 | 174 | -79.8 | -2.3 | 0 | 0 | 0 | 108.6 | V1929 Y1931 R1932 D1984 A1985 | D1910-V1929 HydrophobicContact CB-CG1 3.92Å; D1910-V1929 WeakPolarHBondContact O-CG1 3.35Å; D1910-Y1931 HydrophobicContact CB-CD1 4.34Å; D1910-Y1931 WeakPolarHBondContact OD1-CA 3.05Å; D1910-Y1931 WeakPolarHBondContact OD2-CD1 3.5Å; D1910-R1932 PolarHBondContact OD1-N 3.5Å; D1910-D1984 PolarHBondContact N-OD1 3.05Å; D1910-A1985 HydrophobicContact CB-CB 4.11Å; D1910-A1985 WeakPolarHBondContact CB-O 3.5Å; D1910-A1985 WeakPolarHBondContact O-CB 3.36Å; D1910-A1985 PolarHBondContact O-N 3.07Å |
| 1911 | I | 90.5 | Very high | 74.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 135.2 | -160.6 | -49.7 | 170.5 | 0 | 0 | 0 | 112.8 | V1895 S1909 H1930 F1940 V1982 W1983 | V1895-I1911 HydrophobicContact CB-CD1 3.9Å; V1895-I1911 HydrophobicContact CG1-CD1 3.97Å; V1895-I1911 HydrophobicContact CG1-CG1 4.28Å; V1895-I1911 HydrophobicContact CG1-CG2 4.45Å; V1895-I1911 HydrophobicContact CG2-CD1 4.24Å; S1909-I1911 PolarHBondContact O-N 2.85Å; I1911-H1930 PolarHBondContact N-O 2.92Å; I1911-H1930 PolarHBondContact O-N 2.85Å; I1911-F1940 HydrophobicContact CB-CZ 4.45Å; I1911-F1940 HydrophobicContact CG2-CZ 4.14Å; I1911-F1940 WeakPolarHBondContact O-CE1 3.49Å; I1911-F1940 WeakPolarHBondContact O-CZ 3.28Å; I1911-V1982 HydrophobicContact CG2-CG1 3.76Å; I1911-W1983 WeakPolarHBondContact CA-O 3.35Å |
| 1912 | Y | 91.9 | Very high | 74.7 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 171.4 | 163.9 | 71.1 | -80.9 | 0 | 0 | 0 | 112.6 | K1914 K1926 T1927 V1929 W1983 A1985 D1991 | Y1912-K1914 HydrophobicContact CD2-CG 4.38Å; Y1912-K1914 HydrophobicContact CE2-CD 4.07Å; Y1912-K1914 HydrophobicContact CE2-CG 3.9Å; Y1912-K1926 HydrophobicContact CD2-CB 3.94Å; Y1912-K1926 HydrophobicContact CD2-CD 4.44Å; Y1912-K1926 HydrophobicContact CD2-CG 4.49Å; Y1912-K1926 HydrophobicContact CE2-CB 4.27Å; Y1912-K1926 HydrophobicContact CE2-CD 4.11Å; Y1912-T1927 WeakPolarHBondContact CB-OG1 3.31Å; Y1912-V1929 HydrophobicContact CD1-CG2 4.33Å; Y1912-V1929 HydrophobicContact CG-CG2 4.47Å; Y1912-W1983 HydrophobicContact CD1-CB 3.91Å; Y1912-W1983 HydrophobicContact CD2-CB 4.24Å; Y1912-W1983 HydrophobicContact CE1-CB 3.35Å; Y1912-W1983 HydrophobicContact CE1-CG 4.41Å; Y1912-W1983 HydrophobicContact CE2-CB 3.73Å; Y1912-W1983 HydrophobicContact CE2-CG 4.14Å; Y1912-W1983 HydrophobicContact CG-CB 4.33Å; Y1912-W1983 AromaticContact CZ-CG 3.85Å; Y1912-W1983 PolarHBondContact N-O 2.84Å; Y1912-W1983 PolarHBondContact O-N 2.94Å; Y1912-W1983 WeakPolarHBondContact OH-CB 3.37Å; Y1912-A1985 HydrophobicContact CD1-CB 3.76Å; Y1912-A1985 HydrophobicContact CE1-CB 3.77Å; Y1912-D1991 HydrophobicContact CE1-CB 4.3Å; Y1912-D1991 VanDerWaalsContact OH-CB 3.3Å; Y1912-D1991 WeakPolarHBondContact OH-CB 3.24Å; Y1912-D1991 PolarHBondContact OH-OD2 2.93Å |
| 1913 | V | 92.4 | Very high | 74.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.4 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | V1889 T1892 K1926 T1927 F1940 Q1981 V1982 | V1889-V1913 HydrophobicContact CG1-CB 4.29Å; V1889-V1913 HydrophobicContact CG1-CG1 4.43Å; V1889-V1913 HydrophobicContact CG1-CG2 4.05Å; V1889-V1913 HydrophobicContact CG2-CG1 4.17Å; T1892-V1913 HydrophobicContact CG2-CG2 3.9Å; V1913-K1926 CarbonylContact O-C 3.57Å; V1913-K1926 VanDerWaalsContact O-CA 3.24Å; V1913-K1926 WeakPolarHBondContact O-CA 3.47Å; V1913-K1926 WeakPolarHBondContact O-CB 3.29Å; V1913-T1927 HydrophobicContact CB-CG2 3.88Å; V1913-T1927 PolarHBondContact N-OG1 2.98Å; V1913-T1927 PolarHBondContact O-N 3Å; V1913-F1940 HydrophobicContact CG2-CD2 4.48Å; V1913-F1940 HydrophobicContact CG2-CE2 3.99Å; V1913-F1940 HydrophobicContact CG2-CZ 4.31Å; V1913-Q1981 CarbonylContact C-O 3.38Å; V1913-Q1981 VanDerWaalsContact CA-O 3.32Å; V1913-Q1981 WeakPolarHBondContact CA-O 3.38Å; V1913-Q1981 WeakPolarHBondContact CG1-O 3.22Å; V1913-V1982 HydrophobicContact CG2-CG2 4.36Å |
| 1914 | K | 90.7 | Very high | 74.9 | Confident | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | -178.9 | 177.5 | -81.9 | -175.9 | 145.7 | -103.1 | 0 | 110.5 | D1446 Y1912 D1924 K1926 L1980 Q1981 W1983 | D1446-K1914 WeakPolarHBondContact OD1-CB 3.34Å; D1446-K1914 VanDerWaalsContact OD1-CD 3.28Å; D1446-K1914 WeakPolarHBondContact OD1-CD 3.25Å; D1446-K1914 WeakPolarHBondContact OD1-CE 3.44Å; D1446-K1914 VanDerWaalsContact OD1-CG 3.3Å; D1446-K1914 WeakPolarHBondContact OD1-CG 3.47Å; D1446-K1914 IonicContact OD1-NZ 2.62Å; D1446-K1914 PolarHBondContact OD1-NZ 2.75Å; D1446-K1914 VanDerWaalsContact OD2-CE 3.28Å; D1446-K1914 WeakPolarHBondContact OD2-CE 3.45Å; D1446-K1914 WeakPolarHBondContact OD2-CG 3.44Å; D1446-K1914 IonicContact OD2-NZ 3.74Å; D1446-K1914 PolarHBondContact OD2-NZ 2.83Å; Y1912-K1914 HydrophobicContact CD2-CG 4.38Å; Y1912-K1914 HydrophobicContact CE2-CD 4.07Å; Y1912-K1914 HydrophobicContact CE2-CG 3.9Å; K1914-D1924 VanDerWaalsContact NZ-CG 3.34Å; K1914-D1924 IonicContact NZ-OD1 3.8Å; K1914-D1924 PolarHBondContact NZ-OD1 2.7Å; K1914-D1924 IonicContact NZ-OD2 2.7Å; K1914-D1924 PolarHBondContact NZ-OD2 2.96Å; K1914-K1926 HydrophobicContact CG-CB 4.03Å; K1914-L1980 CarbonylContact O-C 3.57Å; K1914-L1980 WeakPolarHBondContact O-CA 3.5Å; K1914-Q1981 HydrophobicContact CB-CB 4.14Å; K1914-Q1981 PolarHBondContact N-O 2.85Å; K1914-Q1981 PolarHBondContact O-N 3.06Å; K1914-W1983 HydrophobicContact CD-CG 4.41Å |
| 1915 | G | 89.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.7 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1446 I1447 T1979 | D1446-G1915 CarbonylContact C-O 3.35Å; D1446-G1915 WeakPolarHBondContact CA-O 3.44Å; D1446-G1915 WeakPolarHBondContact CB-O 3.42Å; I1447-G1915 WeakPolarHBondContact CB-O 3.41Å; I1447-G1915 WeakPolarHBondContact CD1-O 3.38Å; I1447-G1915 WeakPolarHBondContact CG1-O 3.49Å; I1447-G1915 PolarHBondContact N-O 3.38Å; G1915-T1979 CarbonylContact C-O 3.6Å; G1915-T1979 VanDerWaalsContact C-O 3.23Å; G1915-T1979 WeakPolarHBondContact CA-O 3.37Å |
| 1916 | W | 88.9 | Confident | 77.8 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 159.3 | -179.3 | 47.3 | 87.5 | 0 | 0 | 0 | 115.6 | S1445 D1446 L1978 T1979 Q1981 | S1445-W1916 WeakPolarHBondContact O-CB 3.39Å; D1446-W1916 HydrophobicContact CB-CE3 4.48Å; W1916-L1978 CarbonylContact O-C 3.58Å; W1916-L1978 WeakPolarHBondContact O-CA 3.37Å; W1916-T1979 HydrophobicContact CD2-CG2 4.36Å; W1916-T1979 HydrophobicContact CH2-CG2 4.28Å; W1916-T1979 HydrophobicContact CZ2-CG2 3.81Å; W1916-T1979 PolarHBondContact N-O 3.21Å; W1916-T1979 PolarHBondContact O-N 2.84Å; W1916-Q1981 VanDerWaalsContact CH2-CD 3.44Å; W1916-Q1981 HydrophobicContact CH2-CG 4.17Å; W1916-Q1981 HydrophobicContact CZ3-CG 4.42Å |
| 1917 | V | 84.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.3 | 164.9 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | L1885 G1919 V1920 F1946 F1948 I1957 E1977 L1978 | L1885-V1917 HydrophobicContact CD2-CG2 4Å; V1917-G1919 PolarHBondContact O-N 2.72Å; V1917-V1920 HydrophobicContact CG1-CG2 4.32Å; V1917-V1920 PolarHBondContact O-N 2.85Å; V1917-F1946 HydrophobicContact CB-CD2 3.44Å; V1917-F1946 VanDerWaalsContact CB-CD2 3.44Å; V1917-F1946 HydrophobicContact CB-CE2 3.82Å; V1917-F1946 HydrophobicContact CB-CG 4.28Å; V1917-F1946 HydrophobicContact CG2-CD2 3.6Å; V1917-F1946 HydrophobicContact CG2-CE2 4.31Å; V1917-F1946 HydrophobicContact CG2-CG 4.45Å; V1917-F1948 HydrophobicContact CG1-CD1 4.43Å; V1917-I1957 HydrophobicContact CG1-CD1 3.91Å; V1917-E1977 WeakPolarHBondContact CA-O 3.34Å; V1917-L1978 HydrophobicContact CG2-CB 4.17Å; V1917-L1978 HydrophobicContact CG2-CD1 4.15Å |
| 1918 | K | 70.4 | Confident | 79 | Confident | 127 Ų | 127 | 33.9 Ų | 33.9 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 96.6 | -162 | -170 | 168.8 | -172.7 | 162.8 | 0 | 114.4 | E1977 | K1918-E1977 PolarHBondContact N-O 3.03Š|
| 1919 | G | 64.6 | Low | 79.2 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 118.6 | -8.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1917 G1921 Y1959 | V1917-G1919 PolarHBondContact O-N 2.72Å; G1919-G1921 PolarHBondContact O-N 2.84Å; G1919-Y1959 WeakPolarHBondContact O-CB 3.41Å; G1919-Y1959 WeakPolarHBondContact O-CD2 3.34Å |
| 1920 | V | 67.6 | Low | 79.2 | Confident | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -74.4 | 112.6 | 165.8 | -170.5 | 0 | 0 | 0 | 0 | 107 | V1917 I1922 F1946 P1947 F1948 | V1917-V1920 HydrophobicContact CG1-CG2 4.32Å; V1917-V1920 PolarHBondContact O-N 2.85Å; V1920-I1922 PolarHBondContact O-N 2.85Å; V1920-F1946 HydrophobicContact CB-CD1 3.75Å; V1920-F1946 HydrophobicContact CB-CE1 3.37Å; V1920-F1946 HydrophobicContact CB-CE2 4.46Å; V1920-F1946 HydrophobicContact CB-CG 4.5Å; V1920-F1946 HydrophobicContact CB-CZ 3.78Å; V1920-F1946 HydrophobicContact CG1-CD1 3.49Å; V1920-F1946 VanDerWaalsContact CG1-CD1 3.49Å; V1920-F1946 HydrophobicContact CG1-CE1 3.22Å; V1920-F1946 HydrophobicContact CG1-CZ 4.12Å; V1920-F1946 HydrophobicContact CG2-CD1 4.1Å; V1920-F1946 HydrophobicContact CG2-CE1 4.2Å; V1920-F1946 HydrophobicContact CG2-CG 4.49Å; V1920-P1947 WeakPolarHBondContact CG1-O 3.46Å; V1920-F1948 HydrophobicContact CG2-CB 3.73Å |
| 1921 | G | 54.8 | Low | 78.9 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 70% | 0.701 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -73.5 | 56.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1919 | G1919-G1921 PolarHBondContact O-N 2.84Š|
| 1922 | I | 53.5 | Low | 78.4 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | trans | -126.7 | 106.3 | 166.6 | -61 | -177.9 | 0 | 0 | 0 | 104.7 | D1446 E1449 V1920 F1946 | D1446-I1922 CarbonylContact C-O 2.93Å; D1446-I1922 VanDerWaalsContact C-O 3.28Å; D1446-I1922 CarbonylContact O-C 3.59Å; E1449-I1922 HydrophobicContact CB-CD1 3.33Å; E1449-I1922 HydrophobicContact CG-CD1 4.08Å; V1920-I1922 PolarHBondContact O-N 2.85Å; I1922-F1946 HydrophobicContact CB-CE1 4.16Å; I1922-F1946 HydrophobicContact CB-CZ 4.41Å | ||
| 1923 | D | 53.1 | Low | 78 | Confident | 98 Ų | 98 | 45.2 Ų | 45.2 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | trans | -124.3 | 85.1 | -171.9 | -61.5 | -73.1 | 0 | 0 | 0 | 107.6 | S1445 D1446 | S1445-D1923 PolarHBondContact N-OD1 2.9Å; S1445-D1923 WeakPolarHBondContact OG-CA 3.29Å; S1445-D1923 WeakPolarHBondContact OG-CB 3.33Å; S1445-D1923 PolarHBondContact OG-O 2.73Å; S1445-D1923 VanDerWaalsContact OG-O 3.12Å; D1446-D1923 CarbonylContact O-C 3.48Å | ||
| 1924 | D | 60.7 | Low | 77.5 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | trans | 153.2 | 46.7 | 143.4 | -141.7 | -84.3 | 0 | 0 | 0 | 115.6 | S1445 D1446 K1914 K1926 | S1445-D1924 WeakPolarHBondContact CB-OD2 3.46Å; S1445-D1924 WeakPolarHBondContact OG-CA 3.34Å; S1445-D1924 VanDerWaalsContact OG-CB 3.29Å; S1445-D1924 WeakPolarHBondContact OG-CB 3.44Å; S1445-D1924 PolarHBondContact OG-N 2.91Å; S1445-D1924 PolarHBondContact OG-OD2 2.82Å; D1446-D1924 VanDerWaalsContact N-N 3.16Å; D1446-D1924 WeakPolarHBondContact O-CA 3.47Å; D1446-D1924 PolarHBondContact O-N 2.86Å; D1446-D1924 VanDerWaalsContact OD2-C 3.24Å; D1446-D1924 VanDerWaalsContact OD2-CA 3.27Å; D1446-D1924 WeakPolarHBondContact OD2-CA 3.26Å; D1446-D1924 VanDerWaalsContact OD2-CG 3.31Å; K1914-D1924 VanDerWaalsContact NZ-CG 3.34Å; K1914-D1924 IonicContact NZ-OD1 3.8Å; K1914-D1924 PolarHBondContact NZ-OD1 2.7Å; K1914-D1924 IonicContact NZ-OD2 2.7Å; K1914-D1924 PolarHBondContact NZ-OD2 2.96Å; D1924-K1926 WeakPolarHBondContact OD1-CD 3.27Å; D1924-K1926 VanDerWaalsContact OD1-CE 3.23Å; D1924-K1926 WeakPolarHBondContact OD1-CE 3.49Å; D1924-K1926 IonicContact OD1-NZ 2.75Å; D1924-K1926 PolarHBondContact OD1-NZ 2.78Å | ||
| 1925 | Q | 85.2 | Confident | 77 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | trans | -82.9 | 127.3 | 161.2 | -63.4 | -175.4 | 47.2 | 0 | 0 | 116 | D1446 I1447 E1448 F1944 | D1446-Q1925 WeakPolarHBondContact CB-O 3.39Å; D1446-Q1925 PolarHBondContact O-N 3.37Å; D1446-Q1925 PolarHBondContact OD2-N 2.79Å; I1447-Q1925 HydrophobicContact CB-CB 4.3Å; I1447-Q1925 HydrophobicContact CG2-CB 3.67Å; I1447-Q1925 WeakPolarHBondContact CG2-O 3.41Å; I1447-Q1925 WeakPolarHBondContact O-CB 3.25Å; I1447-Q1925 WeakPolarHBondContact O-CG 3.36Å; I1447-Q1925 PolarHBondContact O-NE2 3.46Å; E1448-Q1925 PolarHBondContact O-NE2 3.38Å; E1448-Q1925 PolarHBondContact O-OE1 2.99Å; Q1925-F1944 HydrophobicContact CB-CE1 4.35Å | ||
| 1926 | K | 89.1 | Confident | 76.8 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | trans | -126.8 | 167.1 | 174.7 | 50.8 | -144.9 | 165.6 | -167.1 | 0 | 112.1 | Y1912 V1913 K1914 D1924 W1942 | Y1912-K1926 HydrophobicContact CD2-CB 3.94Å; Y1912-K1926 HydrophobicContact CD2-CD 4.44Å; Y1912-K1926 HydrophobicContact CD2-CG 4.49Å; Y1912-K1926 HydrophobicContact CE2-CB 4.27Å; Y1912-K1926 HydrophobicContact CE2-CD 4.11Å; V1913-K1926 CarbonylContact O-C 3.57Å; V1913-K1926 VanDerWaalsContact O-CA 3.24Å; V1913-K1926 WeakPolarHBondContact O-CA 3.47Å; V1913-K1926 WeakPolarHBondContact O-CB 3.29Å; K1914-K1926 HydrophobicContact CG-CB 4.03Å; D1924-K1926 WeakPolarHBondContact OD1-CD 3.27Å; D1924-K1926 VanDerWaalsContact OD1-CE 3.23Å; D1924-K1926 WeakPolarHBondContact OD1-CE 3.49Å; D1924-K1926 IonicContact OD1-NZ 2.75Å; D1924-K1926 PolarHBondContact OD1-NZ 2.78Å; K1926-W1942 PolarHBondContact O-NE1 3.07Å; K1926-W1942 VanDerWaalsContact O-NE1 3.08Å | ||
| 1927 | T | 90.1 | Very high | 76.7 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 168.9 | 169.8 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | V1889 Y1912 V1913 F1940 W1942 F1944 | V1889-T1927 HydrophobicContact CB-CG2 4.24Å; V1889-T1927 HydrophobicContact CG1-CG2 4.19Å; Y1912-T1927 WeakPolarHBondContact CB-OG1 3.31Å; V1913-T1927 HydrophobicContact CB-CG2 3.88Å; V1913-T1927 PolarHBondContact N-OG1 2.98Å; V1913-T1927 PolarHBondContact O-N 3Å; T1927-F1940 HydrophobicContact CG2-CB 4.41Å; T1927-F1940 HydrophobicContact CG2-CD1 4.17Å; T1927-F1940 HydrophobicContact CG2-CG 4.21Å; T1927-F1940 WeakPolarHBondContact OG1-CD1 3.4Å; T1927-F1940 WeakPolarHBondContact OG1-CE1 3.44Å; T1927-W1942 HydrophobicContact CG2-CB 3.87Å; T1927-W1942 HydrophobicContact CG2-CG 3.95Å; T1927-F1944 HydrophobicContact CG2-CE2 4.29Å; T1927-F1944 HydrophobicContact CG2-CZ 3.78Å |
| 1928 | D | 85.8 | Confident | 76.7 | Confident | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 155.1 | 158.8 | 67.4 | -14.7 | 0 | 0 | 0 | 111.1 | F1940 W1942 R2075 R2086 | D1928-F1940 VanDerWaalsContact O-CD1 3.27Å; D1928-F1940 WeakPolarHBondContact O-CD1 3.28Å; D1928-F1940 WeakPolarHBondContact O-CE1 3.45Å; D1928-W1942 HydrophobicContact CB-CE3 4.22Å; D1928-W1942 HydrophobicContact CB-CH2 4.19Å; D1928-W1942 HydrophobicContact CB-CZ3 3.72Å; D1928-R2075 IonicContact OD1-CZ 3.69Å; D1928-R2075 IonicContact OD1-NH1 3.86Å; D1928-R2075 IonicContact OD1-NH2 2.76Å; D1928-R2075 PolarHBondContact OD1-NH2 2.59Å; D1928-R2075 IonicContact OD2-CZ 3.31Å; D1928-R2075 VanDerWaalsContact OD2-CZ 3.31Å; D1928-R2075 IonicContact OD2-NH1 2.8Å; D1928-R2075 PolarHBondContact OD2-NH1 3.22Å; D1928-R2075 IonicContact OD2-NH2 2.87Å; D1928-R2075 PolarHBondContact OD2-NH2 3.04Å; D1928-R2086 VanDerWaalsContact CG-NH1 3.33Å; D1928-R2086 IonicContact OD1-CZ 3.93Å; D1928-R2086 IonicContact OD1-NH1 3.41Å; D1928-R2086 PolarHBondContact OD1-NH1 3.49Å; D1928-R2086 IonicContact OD1-NH2 3.19Å; D1928-R2086 PolarHBondContact OD1-NH2 2.8Å; D1928-R2086 IonicContact OD2-CZ 2.74Å; D1928-R2086 IonicContact OD2-NH1 2.83Å; D1928-R2086 PolarHBondContact OD2-NH1 2.99Å; D1928-R2086 IonicContact OD2-NH2 3.17Å |
| 1929 | V | 85.6 | Confident | 77.6 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 133.6 | -174.4 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | D1910 Y1912 Y1931 A1985 | D1910-V1929 HydrophobicContact CB-CG1 3.92Å; D1910-V1929 WeakPolarHBondContact O-CG1 3.35Å; Y1912-V1929 HydrophobicContact CD1-CG2 4.33Å; Y1912-V1929 HydrophobicContact CG-CG2 4.47Å; V1929-Y1931 HydrophobicContact CB-CD2 4.19Å; V1929-Y1931 HydrophobicContact CB-CE1 4.39Å; V1929-Y1931 HydrophobicContact CB-CE2 3.75Å; V1929-Y1931 HydrophobicContact CG1-CD1 3.94Å; V1929-Y1931 HydrophobicContact CG1-CD2 4Å; V1929-Y1931 HydrophobicContact CG1-CE1 3.8Å; V1929-Y1931 HydrophobicContact CG1-CE2 3.89Å; V1929-Y1931 HydrophobicContact CG1-CG 4.02Å; V1929-Y1931 PolarHBondContact O-N 2.92Å; V1929-A1985 HydrophobicContact CG1-CB 3.89Å; V1929-A1985 HydrophobicContact CG2-CB 3.75Å |
| 1930 | H | 85.9 | Confident | 78.9 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 84.5 | 166.7 | -165.2 | 125.8 | 0 | 0 | 0 | 109.6 | I1911 R1932 N1939 F1940 | I1911-H1930 PolarHBondContact N-O 2.92Å; I1911-H1930 PolarHBondContact O-N 2.85Å; H1930-R1932 PolarHBondContact O-N 2.65Å; H1930-N1939 PolarHBondContact CE1-OD1 2.74Å; H1930-N1939 PolarHBondContact ND1-N 3.03Å; H1930-N1939 VanDerWaalsContact ND1-N 3.19Å; H1930-F1940 HydrophobicContact CB-CE1 4.14Å; H1930-F1940 HydrophobicContact CB-CZ 4.32Å |
| 1931 | Y | 81.7 | Confident | 79.9 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 42% | 0.416 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 130.1 | 179.2 | -68.5 | -80 | 0 | 0 | 0 | 112.8 | D1910 V1929 M2092 | D1910-Y1931 HydrophobicContact CB-CD1 4.34Å; D1910-Y1931 WeakPolarHBondContact OD1-CA 3.05Å; D1910-Y1931 WeakPolarHBondContact OD2-CD1 3.5Å; V1929-Y1931 HydrophobicContact CB-CD2 4.19Å; V1929-Y1931 HydrophobicContact CB-CE1 4.39Å; V1929-Y1931 HydrophobicContact CB-CE2 3.75Å; V1929-Y1931 HydrophobicContact CG1-CD1 3.94Å; V1929-Y1931 HydrophobicContact CG1-CD2 4Å; V1929-Y1931 HydrophobicContact CG1-CE1 3.8Å; V1929-Y1931 HydrophobicContact CG1-CE2 3.89Å; V1929-Y1931 HydrophobicContact CG1-CG 4.02Å; V1929-Y1931 PolarHBondContact O-N 2.92Å; Y1931-M2092 HydrophobicContact CD1-CE 3.99Å; Y1931-M2092 HydrophobicContact CD2-CE 4.02Å; Y1931-M2092 HydrophobicContact CE1-CE 3.78Å; Y1931-M2092 HydrophobicContact CE2-CE 3.77Å; Y1931-M2092 HydrophobicContact CG-CE 4.13Å |
| 1932 | R | 79.7 | Confident | 81.7 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 42% | 0.415 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.1 | 53.7 | 174.5 | -159.2 | -178.5 | 173.4 | -166.4 | -4.7 | 113.7 | E1906 D1910 H1930 L1934 | E1906-R1932 IonicContact OE2-NH2 2.8Å; E1906-R1932 PolarHBondContact OE2-NH2 2.96Å; D1910-R1932 PolarHBondContact OD1-N 3.5Å; H1930-R1932 PolarHBondContact O-N 2.65Å; R1932-L1934 HydrophobicContact CG-CD2 4.32Å; R1932-L1934 PolarHBondContact O-N 3.49Å |
| 1933 | S | 84.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 124.4 | 164.2 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | S1908 S1909 G1936 E1937 | S1908-S1933 CarbonylContact C-O 3.41Å; S1908-S1933 WeakPolarHBondContact CA-O 3.44Å; S1908-S1933 WeakPolarHBondContact CB-O 3.31Å; S1909-S1933 PolarHBondContact N-O 3.47Å; S1909-S1933 VanDerWaalsContact N-O 3.15Å; S1909-S1933 PolarHBondContact O-N 2.82Å; S1933-G1936 PolarHBondContact OG-N 2.86Å; S1933-E1937 WeakPolarHBondContact CB-O 3.47Å; S1933-E1937 PolarHBondContact OG-N 2.98Å; S1933-E1937 PolarHBondContact OG-O 2.95Å |
| 1934 | L | 81 | Confident | 85.4 | Confident | 94 Ų | 94 | 42.7 Ų | 42.7 | 49% | 0.492 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -101.8 | -9.6 | 178 | -65.2 | 172.4 | 0 | 0 | 0 | 112.6 | E1906 R1907 R1932 | E1906-L1934 HydrophobicContact CB-CD2 4.44Å; R1907-L1934 WeakPolarHBondContact O-CD2 3.2Å; R1932-L1934 HydrophobicContact CG-CD2 4.32Å; R1932-L1934 PolarHBondContact O-N 3.49Å |
| 1935 | S | 81.3 | Confident | 86.7 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -111.8 | -8.1 | -178.2 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | E1937 | S1935-E1937 VanDerWaalsContact CB-OE2 3.24Å; S1935-E1937 WeakPolarHBondContact CB-OE2 3.22Å; S1935-E1937 WeakPolarHBondContact OG-CB 3.17Å; S1935-E1937 WeakPolarHBondContact OG-CG 3.49Å; S1935-E1937 PolarHBondContact OG-N 3.44Å; S1935-E1937 PolarHBondContact OG-OE2 3.18Å |
| 1936 | G | 83.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 75.6 | 14.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1893 D1894 V1895 S1933 | A1893-G1936 CarbonylContact C-O 3.58Å; A1893-G1936 WeakPolarHBondContact CA-O 3.33Å; D1894-G1936 PolarHBondContact N-O 2.87Å; V1895-G1936 WeakPolarHBondContact CB-O 3.16Å; V1895-G1936 VanDerWaalsContact CG2-O 3.32Å; V1895-G1936 WeakPolarHBondContact CG2-O 3.41Å; V1895-G1936 PolarHBondContact N-O 2.67Å; V1895-G1936 WeakPolarHBondContact O-CA 3.27Å; S1933-G1936 PolarHBondContact OG-N 2.86Å |
| 1937 | E | 86.8 | Confident | 86.7 | Confident | 107 Ų | 107 | 37 Ų | 37 | 50% | 0.5 | 18% | 0.183 | S | C | . | . | trans | -97.5 | 136.6 | 173.2 | -61.5 | 166.9 | 126.5 | 0 | 0 | 109.9 | T1892 S1933 S1935 | T1892-E1937 WeakPolarHBondContact O-CA 3.2Å; S1933-E1937 WeakPolarHBondContact CB-O 3.47Å; S1933-E1937 PolarHBondContact OG-N 2.98Å; S1933-E1937 PolarHBondContact OG-O 2.95Å; S1935-E1937 VanDerWaalsContact CB-OE2 3.24Å; S1935-E1937 WeakPolarHBondContact CB-OE2 3.22Å; S1935-E1937 WeakPolarHBondContact OG-CB 3.17Å; S1935-E1937 WeakPolarHBondContact OG-CG 3.49Å; S1935-E1937 PolarHBondContact OG-N 3.44Å; S1935-E1937 PolarHBondContact OG-OE2 3.18Å | ||
| 1938 | G | 86.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 105.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N1891 T1892 F1940 | N1891-G1938 CarbonylContact C-O 3.6Å; N1891-G1938 WeakPolarHBondContact CA-O 3.47Å; T1892-G1938 PolarHBondContact N-O 2.76Å; T1892-G1938 PolarHBondContact O-N 2.86Å; T1892-G1938 VanDerWaalsContact O-N 3.12Å; T1892-G1938 WeakPolarHBondContact OG1-CA 3.41Å; T1892-G1938 PolarHBondContact OG1-N 2.8Å; T1892-G1938 VanDerWaalsContact OG1-N 3.13Å; G1938-F1940 WeakPolarHBondContact O-CD2 3.34Å; G1938-F1940 WeakPolarHBondContact O-CE2 3.05Å |
| 1939 | N | 89.1 | Confident | 86.4 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.7 | 176.5 | -43.4 | 90.1 | 0 | 0 | 0 | 110.4 | N1891 H1930 P2084 R2086 | N1891-N1939 PolarHBondContact OD1-ND2 3.1Å; H1930-N1939 PolarHBondContact CE1-OD1 2.74Å; H1930-N1939 PolarHBondContact ND1-N 3.03Å; H1930-N1939 VanDerWaalsContact ND1-N 3.19Å; N1939-P2084 HydrophobicContact CB-CB 4.08Å; N1939-R2086 VanDerWaalsContact O-CZ 3.26Å; N1939-R2086 PolarHBondContact O-NE 2.86Å; N1939-R2086 PolarHBondContact O-NH2 2.72Å |
| 1940 | F | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -52.5 | -175.1 | -60.1 | -74.6 | 0 | 0 | 0 | 113.6 | V1889 W1890 T1892 I1911 V1913 T1927 D1928 H1930 G1938 W1942 R2075 | V1889-F1940 HydrophobicContact CG1-CB 4.31Å; V1889-F1940 HydrophobicContact CG1-CD2 3.86Å; V1889-F1940 HydrophobicContact CG1-CG 4.32Å; W1890-F1940 PolarHBondContact O-N 3.09Å; T1892-F1940 HydrophobicContact CG2-CE2 3.97Å; I1911-F1940 HydrophobicContact CB-CZ 4.45Å; I1911-F1940 HydrophobicContact CG2-CZ 4.14Å; I1911-F1940 WeakPolarHBondContact O-CE1 3.49Å; I1911-F1940 WeakPolarHBondContact O-CZ 3.28Å; V1913-F1940 HydrophobicContact CG2-CD2 4.48Å; V1913-F1940 HydrophobicContact CG2-CE2 3.99Å; V1913-F1940 HydrophobicContact CG2-CZ 4.31Å; T1927-F1940 HydrophobicContact CG2-CB 4.41Å; T1927-F1940 HydrophobicContact CG2-CD1 4.17Å; T1927-F1940 HydrophobicContact CG2-CG 4.21Å; T1927-F1940 WeakPolarHBondContact OG1-CD1 3.4Å; T1927-F1940 WeakPolarHBondContact OG1-CE1 3.44Å; D1928-F1940 VanDerWaalsContact O-CD1 3.27Å; D1928-F1940 WeakPolarHBondContact O-CD1 3.28Å; D1928-F1940 WeakPolarHBondContact O-CE1 3.45Å; H1930-F1940 HydrophobicContact CB-CE1 4.14Å; H1930-F1940 HydrophobicContact CB-CZ 4.32Å; G1938-F1940 WeakPolarHBondContact O-CD2 3.34Å; G1938-F1940 WeakPolarHBondContact O-CE2 3.05Å; F1940-W1942 VanDerWaalsContact C-N 3.28Å; F1940-W1942 HydrophobicContact CB-CB 4.08Å; F1940-W1942 PolarHBondContact O-N 2.84Å; F1940-R2075 PolarHBondContact O-NE 2.85Å; F1940-R2075 PolarHBondContact O-NH2 3.32Å |
| 1941 | N | 90.2 | Very high | 85.8 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.5 | 53.7 | -165.9 | -56.8 | -6.5 | 0 | 0 | 0 | 110.8 | V1889 W1890 R2075 L2081 P2082 | V1889-N1941 PolarHBondContact O-N 2.78Å; W1890-N1941 PolarHBondContact O-N 3.42Å; N1941-R2075 WeakPolarHBondContact O-CG 3.47Å; N1941-R2075 PolarHBondContact O-NE 2.79Å; N1941-L2081 HydrophobicContact CB-CB 4.49Å; N1941-L2081 WeakPolarHBondContact O-CD1 3.34Å; N1941-P2082 WeakPolarHBondContact CB-O 3.5Å; N1941-P2082 PolarHBondContact ND2-O 2.99Å |
| 1942 | W | 92.1 | Very high | 85.1 | Confident | 50 Ų | 50 | 39 Ų | 39 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.4 | -175 | -163 | -88.8 | 0 | 0 | 0 | 110.1 | I1888 V1889 K1926 T1927 D1928 F1940 F1944 G2074 R2075 | I1888-W1942 CarbonylContact C-O 3.49Å; I1888-W1942 WeakPolarHBondContact CA-O 3.34Å; I1888-W1942 WeakPolarHBondContact CG2-O 3.45Å; V1889-W1942 PolarHBondContact N-O 3.2Å; V1889-W1942 PolarHBondContact O-N 3.11Å; K1926-W1942 PolarHBondContact O-NE1 3.07Å; K1926-W1942 VanDerWaalsContact O-NE1 3.08Å; T1927-W1942 HydrophobicContact CG2-CB 3.87Å; T1927-W1942 HydrophobicContact CG2-CG 3.95Å; D1928-W1942 HydrophobicContact CB-CE3 4.22Å; D1928-W1942 HydrophobicContact CB-CH2 4.19Å; D1928-W1942 HydrophobicContact CB-CZ3 3.72Å; F1940-W1942 VanDerWaalsContact C-N 3.28Å; F1940-W1942 HydrophobicContact CB-CB 4.08Å; F1940-W1942 PolarHBondContact O-N 2.84Å; W1942-F1944 AromaticContact CD1-CD1 3.76Å; W1942-F1944 AromaticContact CD1-CE1 3.33Å; W1942-F1944 AromaticContact CD1-CZ 3.96Å; W1942-F1944 AromaticContact NE1-CE1 3.55Å; W1942-G2074 VanDerWaalsContact CE2-CA 3.47Å; W1942-R2075 HydrophobicContact CE3-CG 4.19Å |
| 1943 | R | 92.2 | Very high | 84 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.7 | -167.2 | -175.7 | -165 | -75 | 141.6 | -9.5 | 112.9 | K1450 I1888 I1945 G2074 N2079 L2081 | K1450-R1943 PolarHBondContact NZ-O 3.18Å; I1888-R1943 HydrophobicContact CG1-CB 4.49Å; I1888-R1943 HydrophobicContact CG1-CG 4.09Å; R1943-I1945 HydrophobicContact CG-CG2 4.28Å; R1943-I1945 WeakPolarHBondContact O-CD1 3.15Å; R1943-G2074 PolarHBondContact N-O 2.82Å; R1943-N2079 VanDerWaalsContact CZ-O 3.31Å; R1943-N2079 PolarHBondContact NH1-O 2.87Å; R1943-N2079 PolarHBondContact NH2-O 2.94Å; R1943-L2081 HydrophobicContact CB-CD1 3.9Å |
| 1944 | F | 92.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 169 | 172 | -45.2 | -46.2 | 0 | 0 | 0 | 110.2 | I1447 E1448 R1886 V1887 V1889 Q1925 T1927 W1942 | I1447-F1944 HydrophobicContact CD1-CD2 4Å; I1447-F1944 HydrophobicContact CD1-CE2 4.32Å; I1447-F1944 HydrophobicContact CG2-CB 3.66Å; I1447-F1944 HydrophobicContact CG2-CD1 3.16Å; I1447-F1944 HydrophobicContact CG2-CD2 3.6Å; I1447-F1944 HydrophobicContact CG2-CE1 3.38Å; I1447-F1944 HydrophobicContact CG2-CE2 3.8Å; I1447-F1944 HydrophobicContact CG2-CG 3.27Å; I1447-F1944 HydrophobicContact CG2-CZ 3.69Å; E1448-F1944 HydrophobicContact CB-CB 3.72Å; E1448-F1944 HydrophobicContact CG-CB 4.23Å; E1448-F1944 WeakPolarHBondContact OE2-CB 3.27Å; R1886-F1944 WeakPolarHBondContact CA-O 3.32Å; R1886-F1944 WeakPolarHBondContact CD-O 3.41Å; V1887-F1944 CarbonylContact C-O 3.5Å; V1887-F1944 HydrophobicContact CB-CB 4.14Å; V1887-F1944 VanDerWaalsContact N-C 3.26Å; V1887-F1944 PolarHBondContact N-O 3.39Å; V1887-F1944 CarbonylContact O-C 3.55Å; V1887-F1944 VanDerWaalsContact O-CA 3.23Å; V1887-F1944 WeakPolarHBondContact O-CA 3.48Å; V1887-F1944 VanDerWaalsContact O-CB 3.22Å; V1887-F1944 WeakPolarHBondContact O-CB 3.22Å; V1887-F1944 PolarHBondContact O-N 3.38Å; V1889-F1944 HydrophobicContact CG2-CD2 3.64Å; V1889-F1944 HydrophobicContact CG2-CE2 3.48Å; V1889-F1944 VanDerWaalsContact CG2-CE2 3.48Å; V1889-F1944 HydrophobicContact CG2-CZ 4.49Å; Q1925-F1944 HydrophobicContact CB-CE1 4.35Å; T1927-F1944 HydrophobicContact CG2-CE2 4.29Å; T1927-F1944 HydrophobicContact CG2-CZ 3.78Å; W1942-F1944 AromaticContact CD1-CD1 3.76Å; W1942-F1944 AromaticContact CD1-CE1 3.33Å; W1942-F1944 AromaticContact CD1-CZ 3.96Å; W1942-F1944 AromaticContact NE1-CE1 3.55Å |
| 1945 | I | 86.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | 167.4 | 120.3 | -132.3 | 48.4 | -113.4 | 0 | 0 | 0 | 112.9 | E1448 E1449 K1450 L1451 L1885 R1886 R1943 L2073 | E1448-I1945 VanDerWaalsContact C-CG1 3.43Å; E1448-I1945 CarbonylContact C-O 3.56Å; E1448-I1945 WeakPolarHBondContact CA-O 3.43Å; E1448-I1945 HydrophobicContact CB-CG1 4.06Å; E1448-I1945 WeakPolarHBondContact CB-O 3.46Å; E1448-I1945 VanDerWaalsContact CG-N 3.31Å; E1448-I1945 WeakPolarHBondContact CG-O 3.32Å; E1448-I1945 VanDerWaalsContact O-CD1 3.27Å; E1448-I1945 WeakPolarHBondContact O-CD1 3.49Å; E1448-I1945 WeakPolarHBondContact O-CG1 3.49Å; E1448-I1945 PolarHBondContact OE2-N 3.05Å; E1449-I1945 VanDerWaalsContact C-CG1 3.42Å; E1449-I1945 CarbonylContact C-O 3.54Å; E1449-I1945 PolarHBondContact N-O 2.87Å; E1449-I1945 CarbonylContact O-C 3.56Å; E1449-I1945 WeakPolarHBondContact O-CB 3.32Å; E1449-I1945 WeakPolarHBondContact O-CG1 3.21Å; K1450-I1945 HydrophobicContact CB-CG1 4.38Å; K1450-I1945 HydrophobicContact CD-CD1 3.59Å; K1450-I1945 HydrophobicContact CD-CG1 4.25Å; K1450-I1945 HydrophobicContact CG-CB 3.9Å; K1450-I1945 HydrophobicContact CG-CD1 3.49Å; K1450-I1945 VanDerWaalsContact CG-CD1 3.49Å; K1450-I1945 HydrophobicContact CG-CG1 3.58Å; K1450-I1945 HydrophobicContact CG-CG2 3.65Å; L1451-I1945 HydrophobicContact CB-CG2 4.13Å; L1451-I1945 HydrophobicContact CD1-CG2 4.02Å; L1451-I1945 HydrophobicContact CG-CG2 3.8Å; L1885-I1945 CarbonylContact O-C 3.58Å; L1885-I1945 WeakPolarHBondContact O-CA 3.31Å; L1885-I1945 PolarHBondContact O-N 3.06Å; R1886-I1945 HydrophobicContact CG-CG2 4.13Å; R1943-I1945 HydrophobicContact CG-CG2 4.28Å; R1943-I1945 WeakPolarHBondContact O-CD1 3.15Å; I1945-L2073 HydrophobicContact CD1-CD2 4.26Å | ||
| 1946 | F | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -142.6 | 113.9 | -174.3 | -127.4 | -26.7 | 0 | 0 | 0 | 117.5 | I1447 E1448 E1884 L1885 V1917 V1920 I1922 F1948 | I1447-F1946 HydrophobicContact CG1-CE2 4.44Å; E1448-F1946 HydrophobicContact CB-CB 4.4Å; E1448-F1946 HydrophobicContact CB-CD2 4.06Å; E1448-F1946 HydrophobicContact CB-CE2 4.35Å; E1448-F1946 HydrophobicContact CB-CG 4.16Å; E1448-F1946 HydrophobicContact CG-CB 3.49Å; E1448-F1946 VanDerWaalsContact CG-CB 3.49Å; E1448-F1946 HydrophobicContact CG-CD1 4.43Å; E1448-F1946 HydrophobicContact CG-CD2 3.26Å; E1448-F1946 HydrophobicContact CG-CE2 3.93Å; E1448-F1946 HydrophobicContact CG-CG 3.5Å; E1884-F1946 CarbonylContact C-O 3.43Å; E1884-F1946 WeakPolarHBondContact CA-O 3.32Å; E1884-F1946 VanDerWaalsContact CG-C 3.48Å; L1885-F1946 VanDerWaalsContact C-N 3.29Å; L1885-F1946 HydrophobicContact CB-CB 4.17Å; L1885-F1946 PolarHBondContact N-O 2.73Å; L1885-F1946 PolarHBondContact O-N 2.69Å; V1917-F1946 HydrophobicContact CB-CD2 3.44Å; V1917-F1946 VanDerWaalsContact CB-CD2 3.44Å; V1917-F1946 HydrophobicContact CB-CE2 3.82Å; V1917-F1946 HydrophobicContact CB-CG 4.28Å; V1917-F1946 HydrophobicContact CG2-CD2 3.6Å; V1917-F1946 HydrophobicContact CG2-CE2 4.31Å; V1917-F1946 HydrophobicContact CG2-CG 4.45Å; V1920-F1946 HydrophobicContact CB-CD1 3.75Å; V1920-F1946 HydrophobicContact CB-CE1 3.37Å; V1920-F1946 HydrophobicContact CB-CE2 4.46Å; V1920-F1946 HydrophobicContact CB-CG 4.5Å; V1920-F1946 HydrophobicContact CB-CZ 3.78Å; V1920-F1946 HydrophobicContact CG1-CD1 3.49Å; V1920-F1946 VanDerWaalsContact CG1-CD1 3.49Å; V1920-F1946 HydrophobicContact CG1-CE1 3.22Å; V1920-F1946 HydrophobicContact CG1-CZ 4.12Å; V1920-F1946 HydrophobicContact CG2-CD1 4.1Å; V1920-F1946 HydrophobicContact CG2-CE1 4.2Å; V1920-F1946 HydrophobicContact CG2-CG 4.49Å; I1922-F1946 HydrophobicContact CB-CE1 4.16Å; I1922-F1946 HydrophobicContact CB-CZ 4.41Å; F1946-F1948 HydrophobicContact CB-CD1 4.43Å; F1946-F1948 VanDerWaalsContact O-CD1 3.3Å; F1946-F1948 WeakPolarHBondContact O-CD1 3.35Å | ||
| 1947 | P | 85.2 | Confident | 82.2 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.2 | 175 | 29.5 | -38.2 | 0 | 0 | 0 | 113.1 | E1449 Y1883 E1884 V1920 | E1449-P1947 WeakPolarHBondContact O-CD 3.35Å; Y1883-P1947 CarbonylContact O-C 3.53Å; Y1883-P1947 WeakPolarHBondContact O-CA 3.36Å; E1884-P1947 HydrophobicContact CG-CB 4.34Å; V1920-P1947 WeakPolarHBondContact CG1-O 3.46Å |
| 1948 | F | 85.1 | Confident | 81.6 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 148.8 | 172.7 | 55.4 | -99.4 | 0 | 0 | 0 | 113.4 | Y1883 L1885 V1917 V1920 F1946 Y1950 I1957 C1976 L2001 F2029 M2060 | Y1883-F1948 HydrophobicContact CG-CE2 4.47Å; Y1883-F1948 PolarHBondContact N-O 2.8Å; Y1883-F1948 PolarHBondContact O-N 3.07Å; L1885-F1948 HydrophobicContact CB-CE1 4.01Å; V1917-F1948 HydrophobicContact CG1-CD1 4.43Å; V1920-F1948 HydrophobicContact CG2-CB 3.73Å; F1946-F1948 HydrophobicContact CB-CD1 4.43Å; F1946-F1948 VanDerWaalsContact O-CD1 3.3Å; F1946-F1948 WeakPolarHBondContact O-CD1 3.35Å; F1948-Y1950 HydrophobicContact CE2-CG 4.45Å; F1948-I1957 HydrophobicContact CB-CG2 4.36Å; F1948-I1957 HydrophobicContact CD2-CB 4.44Å; F1948-I1957 HydrophobicContact CD2-CG2 3.38Å; F1948-I1957 HydrophobicContact CE2-CG2 3.81Å; F1948-I1957 HydrophobicContact CG-CG2 4.02Å; F1948-C1976 VanDerWaalsContact CZ-SG 3.57Å; F1948-L2001 HydrophobicContact CE1-CD1 4.26Å; F1948-L2001 HydrophobicContact CZ-CD1 3.95Å; F1948-F2029 AromaticContact CE2-CE1 3.99Å; F1948-F2029 HydrophobicContact CE2-CE1 3.99Å; F1948-F2029 HydrophobicContact CE2-CZ 4.06Å; F1948-F2029 HydrophobicContact CZ-CE1 4.18Å; F1948-F2029 HydrophobicContact CZ-CZ 4.21Å; F1948-M2060 HydrophobicContact CE1-CE 4.02Å; F1948-M2060 HydrophobicContact CZ-CE 3.61Å; F1948-M2060 HydrophobicContact CZ-SD 3.92Å |
| 1949 | D | 84 | Confident | 80.8 | Confident | 76 Ų | 76 | 31.7 Ų | 31.7 | 41% | 0.406 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.4 | 168.3 | -81.7 | -39.8 | 0 | 0 | 0 | 110.9 | P1880 G1882 I1957 T1958 | P1880-D1949 HydrophobicContact CB-CB 3.7Å; G1882-D1949 WeakPolarHBondContact CA-OD1 3.34Å; G1882-D1949 PolarHBondContact N-OD1 3.22Å; D1949-I1957 CarbonylContact O-C 3.59Å; D1949-I1957 WeakPolarHBondContact O-CA 3.48Å; D1949-I1957 WeakPolarHBondContact O-CB 3.22Å; D1949-T1958 WeakPolarHBondContact CB-OG1 3.36Å; D1949-T1958 PolarHBondContact O-N 2.85Å |
| 1950 | Y | 81.7 | Confident | 79.9 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.8 | -175.5 | 177.1 | -121.4 | 0 | 0 | 0 | 112.6 | T1881 Y1883 F1948 K1952 D1955 R1956 I1957 F2029 | T1881-Y1950 PolarHBondContact N-O 2.93Å; T1881-Y1950 PolarHBondContact O-N 2.64Å; T1881-Y1950 PolarHBondContact OG1-O 3.32Å; Y1883-Y1950 HydrophobicContact CD2-CD1 4.1Å; Y1883-Y1950 HydrophobicContact CD2-CG 4.48Å; Y1883-Y1950 AromaticContact CE2-CD1 3.9Å; Y1883-Y1950 HydrophobicContact CE2-CD1 3.9Å; F1948-Y1950 HydrophobicContact CE2-CG 4.45Å; Y1950-K1952 HydrophobicContact CD1-CB 4.26Å; Y1950-K1952 VanDerWaalsContact CE1-CA 3.47Å; Y1950-K1952 HydrophobicContact CE1-CB 3.83Å; Y1950-K1952 HydrophobicContact CE1-CG 4.17Å; Y1950-D1955 PolarHBondContact OH-OD1 2.94Å; Y1950-D1955 VanDerWaalsContact OH-OD1 3.11Å; Y1950-R1956 VanDerWaalsContact CD2-O 3.31Å; Y1950-R1956 WeakPolarHBondContact CD2-O 3.21Å; Y1950-I1957 HydrophobicContact CD2-CG2 3.94Å; Y1950-F2029 AromaticContact CD1-CD1 3.79Å; Y1950-F2029 HydrophobicContact CD1-CD1 3.79Å; Y1950-F2029 AromaticContact CD1-CE1 3.44Å; Y1950-F2029 HydrophobicContact CD1-CE1 3.44Å; Y1950-F2029 VanDerWaalsContact CD1-CE1 3.44Å; Y1950-F2029 HydrophobicContact CD1-CE2 4.36Å; Y1950-F2029 HydrophobicContact CD1-CG 4.39Å; Y1950-F2029 AromaticContact CD1-CZ 3.76Å; Y1950-F2029 HydrophobicContact CD1-CZ 3.76Å; Y1950-F2029 HydrophobicContact CD2-CE1 4.38Å; Y1950-F2029 HydrophobicContact CD2-CE2 4.43Å; Y1950-F2029 AromaticContact CD2-CZ 3.91Å; Y1950-F2029 HydrophobicContact CD2-CZ 3.91Å; Y1950-F2029 AromaticContact CE1-CD1 3.55Å; Y1950-F2029 HydrophobicContact CE1-CD1 3.55Å; Y1950-F2029 AromaticContact CE1-CD2 3.76Å; Y1950-F2029 HydrophobicContact CE1-CD2 3.76Å; Y1950-F2029 AromaticContact CE1-CE1 3.5Å; Y1950-F2029 HydrophobicContact CE1-CE1 3.5Å; Y1950-F2029 VanDerWaalsContact CE1-CE1 3.5Å; Y1950-F2029 AromaticContact CE1-CE2 3.71Å; Y1950-F2029 HydrophobicContact CE1-CE2 3.71Å; Y1950-F2029 AromaticContact CE1-CG 3.68Å; Y1950-F2029 HydrophobicContact CE1-CG 3.68Å; Y1950-F2029 AromaticContact CE1-CZ 3.58Å; Y1950-F2029 HydrophobicContact CE1-CZ 3.58Å; Y1950-F2029 HydrophobicContact CE2-CE1 4.44Å; Y1950-F2029 AromaticContact CE2-CE2 3.81Å; Y1950-F2029 HydrophobicContact CE2-CE2 3.81Å; Y1950-F2029 AromaticContact CE2-CZ 3.76Å; Y1950-F2029 HydrophobicContact CE2-CZ 3.76Å; Y1950-F2029 AromaticContact CG-CE1 3.91Å; Y1950-F2029 HydrophobicContact CG-CE1 3.91Å; Y1950-F2029 AromaticContact CG-CZ 3.93Å; Y1950-F2029 HydrophobicContact CG-CZ 3.93Å; Y1950-F2029 AromaticContact CZ-CD2 3.71Å; Y1950-F2029 AromaticContact CZ-CE2 3.41Å; Y1950-F2029 VanDerWaalsContact CZ-CE2 3.41Å; Y1950-F2029 AromaticContact CZ-CZ 3.59Å |
| 1951 | I | 77.9 | Confident | 78.6 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 90 | 175.4 | -53.7 | 175.2 | 0 | 0 | 0 | 108.3 | R1878 P1880 A1953 E1954 D1955 R1956 T1958 K1973 | R1878-I1951 HydrophobicContact CB-CG2 4.21Å; P1880-I1951 HydrophobicContact CB-CG1 4.05Å; P1880-I1951 HydrophobicContact CG-CD1 4.23Å; P1880-I1951 HydrophobicContact CG-CG1 4.07Å; I1951-A1953 PolarHBondContact O-N 2.99Å; I1951-E1954 HydrophobicContact CB-CB 4.24Å; I1951-E1954 HydrophobicContact CG2-CB 3.94Å; I1951-E1954 HydrophobicContact CG2-CG 3.83Å; I1951-E1954 PolarHBondContact O-N 2.87Å; I1951-D1955 PolarHBondContact O-N 3.42Å; I1951-D1955 VanDerWaalsContact O-N 3.11Å; I1951-R1956 PolarHBondContact N-O 3.45Å; I1951-T1958 HydrophobicContact CD1-CG2 3.92Å; I1951-K1973 HydrophobicContact CD1-CD 4.42Å; I1951-K1973 VanDerWaalsContact CD1-CE 3.42Å |
| 1952 | K | 66.3 | Low | 76.9 | Confident | 139 Ų | 139 | 41.6 Ų | 41.6 | 60% | 0.604 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -29.6 | -174.2 | -174.9 | 176.3 | 178.2 | 178.9 | 0 | 115.5 | Y1950 | Y1950-K1952 HydrophobicContact CD1-CB 4.26Å; Y1950-K1952 VanDerWaalsContact CE1-CA 3.47Å; Y1950-K1952 HydrophobicContact CE1-CB 3.83Å; Y1950-K1952 HydrophobicContact CE1-CG 4.17Å |
| 1953 | A | 58.5 | Low | 75 | Confident | 66 Ų | 66 | 40.8 Ų | 40.8 | 55% | 0.545 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1878 I1951 | R1878-A1953 VanDerWaalsContact NH1-CB 3.28Å; R1878-A1953 PolarHBondContact NH1-O 3.36Å; I1951-A1953 PolarHBondContact O-N 2.99Å |
| 1954 | E | 64.8 | Low | 73.1 | Confident | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -15.3 | 164.6 | -71.8 | -177.4 | -152 | 0 | 0 | 112.3 | Y1417 I1951 R1956 K1973 | Y1417-E1954 HydrophobicContact CE2-CG 4.22Å; Y1417-E1954 PolarHBondContact OH-OE1 2.81Å; I1951-E1954 HydrophobicContact CB-CB 4.24Å; I1951-E1954 HydrophobicContact CG2-CB 3.94Å; I1951-E1954 HydrophobicContact CG2-CG 3.83Å; I1951-E1954 PolarHBondContact O-N 2.87Å; E1954-R1956 VanDerWaalsContact C-N 3.32Å; E1954-R1956 HydrophobicContact CB-CB 4.27Å; E1954-R1956 HydrophobicContact CB-CG 4.42Å; E1954-K1973 IonicContact OE1-NZ 3.17Å; E1954-K1973 PolarHBondContact OE1-NZ 3.27Å; E1954-K1973 WeakPolarHBondContact OE2-CD 3.37Å; E1954-K1973 IonicContact OE2-NZ 2.95Å; E1954-K1973 PolarHBondContact OE2-NZ 3Å |
| 1955 | D | 68.7 | Low | 71.1 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 48.7 | -164.9 | -170.6 | 29.6 | 0 | 0 | 0 | 112.3 | Y1950 I1951 R2000 S2002 | Y1950-D1955 PolarHBondContact OH-OD1 2.94Å; Y1950-D1955 VanDerWaalsContact OH-OD1 3.11Å; I1951-D1955 PolarHBondContact O-N 3.42Å; I1951-D1955 VanDerWaalsContact O-N 3.11Å; D1955-R2000 IonicContact OD2-CZ 2.96Å; D1955-R2000 VanDerWaalsContact OD2-CZ 3.27Å; D1955-R2000 IonicContact OD2-NE 3.18Å; D1955-R2000 PolarHBondContact OD2-NE 2.76Å; D1955-R2000 VanDerWaalsContact OD2-NE 3.09Å; D1955-R2000 IonicContact OD2-NH2 2.8Å; D1955-R2000 PolarHBondContact OD2-NH2 3.3Å; D1955-S2002 WeakPolarHBondContact OD1-CB 2.96Å; D1955-S2002 PolarHBondContact OD1-OG 2.91Å; D1955-S2002 VanDerWaalsContact OD1-OG 3.07Å; D1955-S2002 WeakPolarHBondContact OD2-CB 3.48Å; D1955-S2002 PolarHBondContact OD2-OG 3.38Å |
| 1956 | R | 79.5 | Confident | 69.1 | Low | 55 Ų | 55 | 58.8 Ų | 58.8 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 143.9 | -180 | -69.3 | -165.6 | 178.3 | -69.2 | -13.1 | 112.5 | Y1548 Y1950 I1951 E1954 A1974 N1975 | Y1548-R1956 PolarHBondContact OH-NH2 2.81Å; Y1950-R1956 VanDerWaalsContact CD2-O 3.31Å; Y1950-R1956 WeakPolarHBondContact CD2-O 3.21Å; I1951-R1956 PolarHBondContact N-O 3.45Å; E1954-R1956 VanDerWaalsContact C-N 3.32Å; E1954-R1956 HydrophobicContact CB-CB 4.27Å; E1954-R1956 HydrophobicContact CB-CG 4.42Å; R1956-A1974 CarbonylContact C-O 3.35Å; R1956-A1974 WeakPolarHBondContact CA-O 3.41Å; R1956-A1974 WeakPolarHBondContact CB-O 3.33Å; R1956-A1974 WeakPolarHBondContact CG-O 3.33Å; R1956-N1975 PolarHBondContact NH1-OD1 2.75Å; R1956-N1975 PolarHBondContact NH2-OD1 2.94Å |
| 1957 | I | 79.2 | Confident | 67.4 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 151.6 | 167.3 | 56.1 | 175.3 | 0 | 0 | 0 | 111 | V1917 F1948 D1949 Y1950 K1973 A1974 C1976 | V1917-I1957 HydrophobicContact CG1-CD1 3.91Å; F1948-I1957 HydrophobicContact CB-CG2 4.36Å; F1948-I1957 HydrophobicContact CD2-CB 4.44Å; F1948-I1957 HydrophobicContact CD2-CG2 3.38Å; F1948-I1957 HydrophobicContact CE2-CG2 3.81Å; F1948-I1957 HydrophobicContact CG-CG2 4.02Å; D1949-I1957 CarbonylContact O-C 3.59Å; D1949-I1957 WeakPolarHBondContact O-CA 3.48Å; D1949-I1957 WeakPolarHBondContact O-CB 3.22Å; Y1950-I1957 HydrophobicContact CD2-CG2 3.94Å; I1957-K1973 CarbonylContact O-C 3.48Å; I1957-K1973 VanDerWaalsContact O-CA 3.25Å; I1957-K1973 WeakPolarHBondContact O-CA 3.36Å; I1957-A1974 HydrophobicContact CG1-CB 4.23Å; I1957-A1974 PolarHBondContact N-O 2.83Å; I1957-A1974 PolarHBondContact O-N 2.7Å; I1957-C1976 HydrophobicContact CG2-CB 3.82Å; I1957-C1976 VanDerWaalsContact CG2-SG 3.55Å |
| 1958 | T | 74.4 | Confident | 66 | Low | 16 Ų | 16 | 64.1 Ų | 64.1 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.1 | 171.3 | 37.4 | 0 | 0 | 0 | 0 | 110.5 | P1880 D1949 I1951 I1972 K1973 | P1880-T1958 WeakPolarHBondContact CB-OG1 3.42Å; P1880-T1958 HydrophobicContact CG-CG2 4.19Å; P1880-T1958 VanDerWaalsContact CG-OG1 3.31Å; P1880-T1958 WeakPolarHBondContact CG-OG1 3.1Å; D1949-T1958 WeakPolarHBondContact CB-OG1 3.36Å; D1949-T1958 PolarHBondContact O-N 2.85Å; I1951-T1958 HydrophobicContact CD1-CG2 3.92Å; T1958-I1972 WeakPolarHBondContact CA-O 3.37Å; T1958-K1973 HydrophobicContact CG2-CD 4.36Å; T1958-K1973 HydrophobicContact CG2-CG 3.6Å |
| 1959 | Y | 69.3 | Low | 64.6 | Low | 39 Ų | 39 | 66.5 Ų | 66.5 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.2 | 177 | 57.3 | -87.4 | 0 | 0 | 0 | 111.8 | G1919 I1961 T1971 I1972 A1974 | G1919-Y1959 WeakPolarHBondContact O-CB 3.41Å; G1919-Y1959 WeakPolarHBondContact O-CD2 3.34Å; Y1959-I1961 HydrophobicContact CD2-CD1 4.42Å; Y1959-I1961 HydrophobicContact CD2-CG1 3.89Å; Y1959-I1961 HydrophobicContact CE2-CD1 3.71Å; Y1959-I1961 HydrophobicContact CE2-CG1 3.68Å; Y1959-T1971 CarbonylContact O-C 3.59Å; Y1959-T1971 VanDerWaalsContact O-CA 3.3Å; Y1959-T1971 WeakPolarHBondContact O-CA 3.24Å; Y1959-I1972 HydrophobicContact CE1-CB 4.43Å; Y1959-I1972 HydrophobicContact CE1-CG2 4.29Å; Y1959-I1972 HydrophobicContact CE2-CB 4.09Å; Y1959-I1972 HydrophobicContact CE2-CG2 4.4Å; Y1959-I1972 PolarHBondContact N-O 3.03Å; Y1959-I1972 VanDerWaalsContact N-O 3.08Å; Y1959-I1972 PolarHBondContact O-N 3.18Å; Y1959-A1974 HydrophobicContact CE1-CB 3.72Å |
| 1960 | P | 69.5 | Low | 63.6 | Low | 90 Ų | 90 | 64.9 Ų | 64.9 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.9 | 177.1 | 31.8 | -32.6 | 0 | 0 | 0 | 112.4 | P1969 T1971 | P1960-P1969 HydrophobicContact CB-CB 3.91Å; P1960-P1969 HydrophobicContact CB-CG 4.45Å; P1960-T1971 HydrophobicContact CB-CG2 4.49Å |
| 1961 | I | 62.6 | Low | 63 | Low | 64 Ų | 64 | 69.6 Ų | 69.6 | 33% | 0.328 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.7 | 168.4 | -55.4 | -173 | 0 | 0 | 0 | 110.2 | Y1959 P1969 H1970 I1972 | Y1959-I1961 HydrophobicContact CD2-CD1 4.42Å; Y1959-I1961 HydrophobicContact CD2-CG1 3.89Å; Y1959-I1961 HydrophobicContact CE2-CD1 3.71Å; Y1959-I1961 HydrophobicContact CE2-CG1 3.68Å; I1961-P1969 CarbonylContact O-C 3.42Å; I1961-P1969 VanDerWaalsContact O-CA 3.25Å; I1961-P1969 WeakPolarHBondContact O-CA 3.48Å; I1961-H1970 PolarHBondContact N-O 2.88Å; I1961-H1970 PolarHBondContact O-N 3.17Å; I1961-H1970 PolarHBondContact O-ND1 2.9Å; I1961-I1972 HydrophobicContact CD1-CB 4.31Å; I1961-I1972 HydrophobicContact CD1-CD1 3.51Å; I1961-I1972 HydrophobicContact CD1-CG1 3.83Å; I1961-I1972 HydrophobicContact CG1-CD1 4.39Å; I1961-I1972 HydrophobicContact CG1-CG1 4.22Å |
| 1962 | K | 56.2 | Low | 62.5 | Low | 128 Ų | 128 | 72.3 Ų | 72.3 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | trans | -130.4 | 112.5 | 174.2 | -175.1 | 173.9 | 177.4 | 165.2 | 0 | 109.9 | D1966 I1967 P1969 | K1962-D1966 WeakPolarHBondContact CE-O 3.46Å; K1962-D1966 HydrophobicContact CG-CB 3.89Å; K1962-I1967 WeakPolarHBondContact CE-O 3.33Å; K1962-I1967 PolarHBondContact NZ-O 2.91Å; K1962-P1969 HydrophobicContact CB-CB 4.17Å | ||
| 1963 | G | 52.4 | Low | 62.9 | Low | 33 Ų | 33 | 69.9 Ų | 69.9 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | trans | -71.3 | 165.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1965 D1966 | G1963-F1965 PolarHBondContact O-N 2.88Å; G1963-D1966 WeakPolarHBondContact CA-OD2 3.48Å; G1963-D1966 PolarHBondContact N-OD2 3.23Å; G1963-D1966 WeakPolarHBondContact O-CB 3.37Å; G1963-D1966 PolarHBondContact O-N 2.85Å | ||
| 1964 | T | 51.9 | Low | 63.6 | Low | 141 Ų | 141 | 67.4 Ų | 67.4 | 87% | 0.865 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.2 | -171.2 | -25.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1965 | F | 49.3 | Very low | 64.1 | Low | 197 Ų | 197 | 67.7 Ų | 67.7 | 86% | 0.864 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 4 | 177.9 | -59.8 | -77.4 | 0 | 0 | 0 | 113.1 | G1963 | G1963-F1965 PolarHBondContact O-N 2.88Š|
| 1966 | D | 45.5 | Very low | 64.5 | Low | 51 Ų | 51 | 66.3 Ų | 66.3 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | trans | -73.7 | 138 | 174.5 | -76.3 | -45.4 | 0 | 0 | 0 | 110.3 | K1685 K1962 G1963 | K1685-D1966 IonicContact NZ-OD1 3.95Å; K1685-D1966 PolarHBondContact NZ-OD1 3.28Å; K1962-D1966 WeakPolarHBondContact CE-O 3.46Å; K1962-D1966 HydrophobicContact CG-CB 3.89Å; G1963-D1966 WeakPolarHBondContact CA-OD2 3.48Å; G1963-D1966 PolarHBondContact N-OD2 3.23Å; G1963-D1966 WeakPolarHBondContact O-CB 3.37Å; G1963-D1966 PolarHBondContact O-N 2.85Å | ||
| 1967 | I | 52.7 | Low | 64.9 | Low | 112 Ų | 112 | 65.8 Ų | 65.8 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -83.4 | -48.8 | 171 | -60.8 | 175 | 0 | 0 | 0 | 109.6 | K1962 | K1962-I1967 WeakPolarHBondContact CE-O 3.33Å; K1962-I1967 PolarHBondContact NZ-O 2.91Å |
| 1968 | E | 56.3 | Low | 65.3 | Low | 57 Ų | 57 | 65.7 Ų | 65.7 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -108.8 | 139.9 | -179.9 | -78.6 | 143.8 | -139.9 | 0 | 0 | 112.1 | Y1682 K1685 R1716 | Y1682-E1968 PolarHBondContact OH-OE2 2.9Å; K1685-E1968 PolarHBondContact NZ-O 2.8Å; R1716-E1968 IonicContact CZ-OE1 2.94Å; R1716-E1968 IonicContact NH1-OE1 2.85Å; R1716-E1968 PolarHBondContact NH1-OE1 2.82Å; R1716-E1968 IonicContact NH1-OE2 2.73Å; R1716-E1968 IonicContact NH2-OE1 3.22Å; R1716-E1968 PolarHBondContact NH2-OE1 3.46Å |
| 1969 | P | 56.8 | Low | 66.1 | Low | 64 Ų | 64 | 65.4 Ų | 65.4 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | trans | -74.7 | 163.9 | 174.8 | 33.3 | -35.5 | 0 | 0 | 0 | 112.2 | P1960 I1961 K1962 | P1960-P1969 HydrophobicContact CB-CB 3.91Å; P1960-P1969 HydrophobicContact CB-CG 4.45Å; I1961-P1969 CarbonylContact O-C 3.42Å; I1961-P1969 VanDerWaalsContact O-CA 3.25Å; I1961-P1969 WeakPolarHBondContact O-CA 3.48Å; K1962-P1969 HydrophobicContact CB-CB 4.17Å | ||
| 1970 | H | 61.7 | Low | 67.1 | Low | 41 Ų | 41 | 63.6 Ų | 63.6 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.8 | 171.6 | 67.3 | -54.3 | 0 | 0 | 0 | 110.6 | I1961 | I1961-H1970 PolarHBondContact N-O 2.88Å; I1961-H1970 PolarHBondContact O-N 3.17Å; I1961-H1970 PolarHBondContact O-ND1 2.9Å |
| 1971 | T | 69.6 | Low | 68.2 | Low | 108 Ų | 108 | 60.2 Ų | 60.2 | 66% | 0.663 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133.9 | -173.8 | 37.1 | 0 | 0 | 0 | 0 | 113.3 | Y1959 P1960 | Y1959-T1971 CarbonylContact O-C 3.59Å; Y1959-T1971 VanDerWaalsContact O-CA 3.3Å; Y1959-T1971 WeakPolarHBondContact O-CA 3.24Å; P1960-T1971 HydrophobicContact CB-CG2 4.49Å |
| 1972 | I | 67.6 | Low | 69.6 | Low | 63 Ų | 63 | 57.2 Ų | 57.2 | 32% | 0.323 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 152.9 | 174.5 | -62.1 | -150.8 | 0 | 0 | 0 | 109.9 | T1958 Y1959 I1961 | T1958-I1972 WeakPolarHBondContact CA-O 3.37Å; Y1959-I1972 HydrophobicContact CE1-CB 4.43Å; Y1959-I1972 HydrophobicContact CE1-CG2 4.29Å; Y1959-I1972 HydrophobicContact CE2-CB 4.09Å; Y1959-I1972 HydrophobicContact CE2-CG2 4.4Å; Y1959-I1972 PolarHBondContact N-O 3.03Å; Y1959-I1972 VanDerWaalsContact N-O 3.08Å; Y1959-I1972 PolarHBondContact O-N 3.18Å; I1961-I1972 HydrophobicContact CD1-CB 4.31Å; I1961-I1972 HydrophobicContact CD1-CD1 3.51Å; I1961-I1972 HydrophobicContact CD1-CG1 3.83Å; I1961-I1972 HydrophobicContact CG1-CD1 4.39Å; I1961-I1972 HydrophobicContact CG1-CG1 4.22Å |
| 1973 | K | 74.7 | Confident | 71.3 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.9 | 175.5 | -73.4 | -176.9 | 173.4 | -169.5 | 0 | 111.4 | I1951 E1954 I1957 T1958 | I1951-K1973 HydrophobicContact CD1-CD 4.42Å; I1951-K1973 VanDerWaalsContact CD1-CE 3.42Å; E1954-K1973 IonicContact OE1-NZ 3.17Å; E1954-K1973 PolarHBondContact OE1-NZ 3.27Å; E1954-K1973 WeakPolarHBondContact OE2-CD 3.37Å; E1954-K1973 IonicContact OE2-NZ 2.95Å; E1954-K1973 PolarHBondContact OE2-NZ 3Å; I1957-K1973 CarbonylContact O-C 3.48Å; I1957-K1973 VanDerWaalsContact O-CA 3.25Å; I1957-K1973 WeakPolarHBondContact O-CA 3.36Å; T1958-K1973 HydrophobicContact CG2-CD 4.36Å; T1958-K1973 HydrophobicContact CG2-CG 3.6Å |
| 1974 | A | 72.9 | Confident | 73.1 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 170.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1956 I1957 Y1959 | R1956-A1974 CarbonylContact C-O 3.35Å; R1956-A1974 WeakPolarHBondContact CA-O 3.41Å; R1956-A1974 WeakPolarHBondContact CB-O 3.33Å; R1956-A1974 WeakPolarHBondContact CG-O 3.33Å; I1957-A1974 HydrophobicContact CG1-CB 4.23Å; I1957-A1974 PolarHBondContact N-O 2.83Å; I1957-A1974 PolarHBondContact O-N 2.7Å; Y1959-A1974 HydrophobicContact CE1-CB 3.72Å |
| 1975 | N | 76.4 | Confident | 74.6 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | trans | -68.6 | 153.5 | 167.8 | -66 | 2 | 0 | 0 | 0 | 109.3 | R1956 E1977 | R1956-N1975 PolarHBondContact NH1-OD1 2.75Å; R1956-N1975 PolarHBondContact NH2-OD1 2.94Å; N1975-E1977 VanDerWaalsContact CB-CD 3.46Å; N1975-E1977 HydrophobicContact CB-CG 3.94Å; N1975-E1977 WeakPolarHBondContact CB-OE1 3.22Å; N1975-E1977 PolarHBondContact ND2-OE1 3.01Å; N1975-E1977 PolarHBondContact O-N 2.85Å | ||
| 1976 | C | 77.2 | Confident | 76 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -87.9 | 96.1 | 172 | -156.5 | 0 | 0 | 0 | 0 | 110.4 | F1948 I1957 R2000 L2001 F2029 | F1948-C1976 VanDerWaalsContact CZ-SG 3.57Å; I1957-C1976 HydrophobicContact CG2-CB 3.82Å; I1957-C1976 VanDerWaalsContact CG2-SG 3.55Å; C1976-R2000 CarbonylContact O-C 3.57Å; C1976-R2000 WeakPolarHBondContact O-CA 3.38Å; C1976-L2001 HydrophobicContact CB-CB 4.45Å; C1976-L2001 PolarHBondContact O-N 3.49Å; C1976-L2001 WeakPolarHBondContact SG-CD1 3.43Å; C1976-F2029 HydrophobicContact CB-CE2 4.34Å; C1976-F2029 HydrophobicContact CB-CZ 4.18Å | ||
| 1977 | E | 86.7 | Confident | 77 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.5 | -171.6 | -75 | 161.4 | -176.2 | 0 | 0 | 110.6 | V1917 K1918 N1975 T1998 R2000 | V1917-E1977 WeakPolarHBondContact CA-O 3.34Å; K1918-E1977 PolarHBondContact N-O 3.03Å; N1975-E1977 VanDerWaalsContact CB-CD 3.46Å; N1975-E1977 HydrophobicContact CB-CG 3.94Å; N1975-E1977 WeakPolarHBondContact CB-OE1 3.22Å; N1975-E1977 PolarHBondContact ND2-OE1 3.01Å; N1975-E1977 PolarHBondContact O-N 2.85Å; E1977-T1998 HydrophobicContact CB-CG2 4.44Å; E1977-R2000 HydrophobicContact CG-CB 3.97Å; E1977-R2000 HydrophobicContact CG-CG 4.12Å |
| 1978 | L | 88.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.5 | 173.4 | 169.6 | 64.7 | 0 | 0 | 0 | 109.9 | I1447 E1448 L1885 V1887 W1916 V1917 T1998 M1999 L2001 L2058 | I1447-L1978 HydrophobicContact CD1-CD1 4.25Å; E1448-L1978 VanDerWaalsContact OE1-CD1 3.29Å; E1448-L1978 WeakPolarHBondContact OE1-CD1 3.49Å; L1885-L1978 HydrophobicContact CD2-CD2 4.35Å; V1887-L1978 HydrophobicContact CG2-CD1 4.49Å; V1887-L1978 HydrophobicContact CG2-CD2 3.83Å; W1916-L1978 CarbonylContact O-C 3.58Å; W1916-L1978 WeakPolarHBondContact O-CA 3.37Å; V1917-L1978 HydrophobicContact CG2-CB 4.17Å; V1917-L1978 HydrophobicContact CG2-CD1 4.15Å; L1978-T1998 CarbonylContact O-C 3.53Å; L1978-T1998 WeakPolarHBondContact O-CA 3.39Å; L1978-M1999 PolarHBondContact N-O 3.15Å; L1978-M1999 PolarHBondContact O-N 3.49Å; L1978-L2001 HydrophobicContact CB-CD2 3.81Å; L1978-L2058 HydrophobicContact CD2-CD2 3.97Å |
| 1979 | T | 90.1 | Very high | 77.8 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 149.4 | 168 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | G1915 W1916 Q1981 L1997 T1998 | G1915-T1979 CarbonylContact C-O 3.6Å; G1915-T1979 VanDerWaalsContact C-O 3.23Å; G1915-T1979 WeakPolarHBondContact CA-O 3.37Å; W1916-T1979 HydrophobicContact CD2-CG2 4.36Å; W1916-T1979 HydrophobicContact CH2-CG2 4.28Å; W1916-T1979 HydrophobicContact CZ2-CG2 3.81Å; W1916-T1979 PolarHBondContact N-O 3.21Å; W1916-T1979 PolarHBondContact O-N 2.84Å; T1979-Q1981 HydrophobicContact CG2-CG 4.32Å; T1979-L1997 CarbonylContact C-O 3.52Å; T1979-L1997 VanDerWaalsContact CA-O 3.25Å; T1979-L1997 WeakPolarHBondContact CA-O 3.38Å; T1979-T1998 WeakPolarHBondContact CG2-OG1 3.16Å; T1979-T1998 PolarHBondContact OG1-OG1 2.83Å |
| 1980 | L | 91.2 | Very high | 78.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.8 | 168.3 | -69 | 171.9 | 0 | 0 | 0 | 108.3 | I1447 K1914 S1996 L1997 V2054 | I1447-L1980 HydrophobicContact CD1-CD2 3.84Å; K1914-L1980 CarbonylContact O-C 3.57Å; K1914-L1980 WeakPolarHBondContact O-CA 3.5Å; L1980-S1996 CarbonylContact O-C 3.53Å; L1980-S1996 WeakPolarHBondContact O-CA 3.48Å; L1980-L1997 HydrophobicContact CB-CB 4.49Å; L1980-L1997 HydrophobicContact CD1-CD2 4.46Å; L1980-L1997 PolarHBondContact N-O 2.88Å; L1980-L1997 PolarHBondContact O-N 2.84Å; L1980-V2054 HydrophobicContact CD1-CG1 4.36Å |
| 1981 | Q | 91.9 | Very high | 79.1 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150 | 178.6 | -69.1 | -173.1 | -29.2 | 0 | 0 | 111.6 | V1913 K1914 W1916 T1979 F1993 G1995 | V1913-Q1981 CarbonylContact C-O 3.38Å; V1913-Q1981 VanDerWaalsContact CA-O 3.32Å; V1913-Q1981 WeakPolarHBondContact CA-O 3.38Å; V1913-Q1981 WeakPolarHBondContact CG1-O 3.22Å; K1914-Q1981 HydrophobicContact CB-CB 4.14Å; K1914-Q1981 PolarHBondContact N-O 2.85Å; K1914-Q1981 PolarHBondContact O-N 3.06Å; W1916-Q1981 VanDerWaalsContact CH2-CD 3.44Å; W1916-Q1981 HydrophobicContact CH2-CG 4.17Å; W1916-Q1981 HydrophobicContact CZ3-CG 4.42Å; T1979-Q1981 HydrophobicContact CG2-CG 4.32Å; Q1981-F1993 HydrophobicContact CB-CE2 4.41Å; Q1981-F1993 HydrophobicContact CG-CE2 4.12Å; Q1981-G1995 CarbonylContact C-O 3.45Å; Q1981-G1995 VanDerWaalsContact CA-O 3.23Å; Q1981-G1995 WeakPolarHBondContact CA-O 3.27Å |
| 1982 | V | 92.5 | Very high | 79.8 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.6 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | T1892 V1895 I1911 V1913 I1994 G1995 V2040 | T1892-V1982 HydrophobicContact CG2-CG2 4.39Å; V1895-V1982 HydrophobicContact CG1-CG1 4.15Å; V1895-V1982 HydrophobicContact CG2-CG1 4.39Å; I1911-V1982 HydrophobicContact CG2-CG1 3.76Å; V1913-V1982 HydrophobicContact CG2-CG2 4.36Å; V1982-I1994 HydrophobicContact CG1-CB 4.45Å; V1982-I1994 HydrophobicContact CG1-CD1 4.25Å; V1982-I1994 WeakPolarHBondContact O-CA 3.37Å; V1982-I1994 WeakPolarHBondContact O-CB 3Å; V1982-I1994 PolarHBondContact O-N 2.67Å; V1982-G1995 PolarHBondContact N-O 2.93Å; V1982-G1995 PolarHBondContact O-N 2.75Å; V1982-V2040 HydrophobicContact CB-CG1 4.33Å; V1982-V2040 HydrophobicContact CG2-CB 4.35Å; V1982-V2040 HydrophobicContact CG2-CG1 3.93Å; V1982-V2040 HydrophobicContact CG2-CG2 4Å |
| 1983 | W | 92.3 | Very high | 80.7 | Confident | 51 Ų | 51 | 47 Ų | 47 | 19% | 0.193 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.7 | -171 | -71.3 | 80.8 | 0 | 0 | 0 | 111.7 | I1911 Y1912 K1914 D1991 N1992 F1993 | I1911-W1983 WeakPolarHBondContact CA-O 3.35Å; Y1912-W1983 HydrophobicContact CD1-CB 3.91Å; Y1912-W1983 HydrophobicContact CD2-CB 4.24Å; Y1912-W1983 HydrophobicContact CE1-CB 3.35Å; Y1912-W1983 HydrophobicContact CE1-CG 4.41Å; Y1912-W1983 HydrophobicContact CE2-CB 3.73Å; Y1912-W1983 HydrophobicContact CE2-CG 4.14Å; Y1912-W1983 HydrophobicContact CG-CB 4.33Å; Y1912-W1983 AromaticContact CZ-CG 3.85Å; Y1912-W1983 PolarHBondContact N-O 2.84Å; Y1912-W1983 PolarHBondContact O-N 2.94Å; Y1912-W1983 WeakPolarHBondContact OH-CB 3.37Å; K1914-W1983 HydrophobicContact CD-CG 4.41Å; W1983-D1991 HydrophobicContact CE3-CB 4Å; W1983-D1991 HydrophobicContact CZ3-CB 4.49Å; W1983-D1991 WeakPolarHBondContact CZ3-O 3.49Å; W1983-N1992 WeakPolarHBondContact CA-O 3.47Å; W1983-F1993 HydrophobicContact CD2-CB 4.35Å; W1983-F1993 HydrophobicContact CD2-CD2 4.33Å; W1983-F1993 AromaticContact CE2-CD2 3.81Å; W1983-F1993 HydrophobicContact CE3-CB 4.06Å; W1983-F1993 HydrophobicContact CH2-CB 3.95Å; W1983-F1993 HydrophobicContact CH2-CD2 4.37Å; W1983-F1993 HydrophobicContact CZ2-CB 4.26Å; W1983-F1993 AromaticContact CZ2-CD2 3.83Å; W1983-F1993 HydrophobicContact CZ2-CD2 3.83Å; W1983-F1993 HydrophobicContact CZ2-CG 4.49Å; W1983-F1993 HydrophobicContact CZ3-CB 3.85Å |
| 1984 | D | 89.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.4 | 179.1 | -176.4 | 45.2 | 0 | 0 | 0 | 109.4 | T1898 S1909 D1910 D1986 D1991 N1992 I1994 | T1898-D1984 WeakPolarHBondContact CB-OD2 3.32Å; T1898-D1984 PolarHBondContact OG1-OD1 3.31Å; T1898-D1984 PolarHBondContact OG1-OD2 3.35Å; S1909-D1984 WeakPolarHBondContact CA-OD1 3.11Å; S1909-D1984 WeakPolarHBondContact CB-OD1 3.34Å; D1910-D1984 PolarHBondContact N-OD1 3.05Å; D1984-D1986 PolarHBondContact O-N 3.05Å; D1984-D1991 CarbonylContact O-C 3.58Å; D1984-D1991 VanDerWaalsContact O-CA 3.27Å; D1984-D1991 WeakPolarHBondContact O-CA 3.47Å; D1984-D1991 WeakPolarHBondContact O-CB 3.19Å; D1984-N1992 HydrophobicContact CB-CB 4.04Å; D1984-N1992 WeakPolarHBondContact CB-O 3.25Å; D1984-N1992 PolarHBondContact N-O 2.8Å; D1984-N1992 PolarHBondContact O-N 2.87Å; D1984-N1992 PolarHBondContact OD2-ND2 3.43Å; D1984-I1994 HydrophobicContact CB-CD1 3.98Å; D1984-I1994 HydrophobicContact CB-CG1 4.18Å |
| 1985 | A | 82 | Confident | 82.1 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | trans | -80.7 | 117.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1910 Y1912 V1929 D1991 | D1910-A1985 HydrophobicContact CB-CB 4.11Å; D1910-A1985 WeakPolarHBondContact CB-O 3.5Å; D1910-A1985 WeakPolarHBondContact O-CB 3.36Å; D1910-A1985 PolarHBondContact O-N 3.07Å; Y1912-A1985 HydrophobicContact CD1-CB 3.76Å; Y1912-A1985 HydrophobicContact CE1-CB 3.77Å; V1929-A1985 HydrophobicContact CG1-CB 3.89Å; V1929-A1985 HydrophobicContact CG2-CB 3.75Å; A1985-D1991 VanDerWaalsContact CA-OD1 3.31Å; A1985-D1991 WeakPolarHBondContact CA-OD1 3.23Å | ||
| 1986 | D | 79.1 | Confident | 82.9 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | trans | -108.5 | 131.3 | -171 | -156.3 | -31.3 | 0 | 0 | 0 | 111.5 | D1984 I1988 T1989 D1991 N1992 | D1984-D1986 PolarHBondContact O-N 3.05Å; D1986-I1988 VanDerWaalsContact C-N 3.33Å; D1986-I1988 PolarHBondContact O-N 3.03Å; D1986-T1989 PolarHBondContact OD1-N 3.03Å; D1986-T1989 PolarHBondContact OD1-OG1 2.97Å; D1986-T1989 VanDerWaalsContact OD1-OG1 3.06Å; D1986-T1989 WeakPolarHBondContact OD2-CB 2.98Å; D1986-T1989 PolarHBondContact OD2-OG1 3.18Å; D1986-D1991 PolarHBondContact N-OD1 2.7Å; D1986-N1992 PolarHBondContact OD2-ND2 2.86Å | ||
| 1987 | I | 66.7 | Low | 83.5 | Confident | 113 Ų | 113 | 42.3 Ų | 42.3 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -78.8 | -19.7 | -169.1 | -61.6 | 177.7 | 0 | 0 | 0 | 112.2 | L2095 | I1987-L2095 HydrophobicContact CD1-CD1 4.42Š|
| 1988 | I | 63.2 | Low | 83.6 | Confident | 163 Ų | 163 | 44 Ų | 44 | 84% | 0.836 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -135.6 | -36.6 | -172.1 | -55.6 | -179.9 | 0 | 0 | 0 | 111.8 | D1986 | D1986-I1988 VanDerWaalsContact C-N 3.33Å; D1986-I1988 PolarHBondContact O-N 3.03Å |
| 1989 | T | 62.1 | Low | 83.6 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -84.9 | 179.8 | 173.9 | -6.5 | 0 | 0 | 0 | 0 | 110.5 | D1986 | D1986-T1989 PolarHBondContact OD1-N 3.03Å; D1986-T1989 PolarHBondContact OD1-OG1 2.97Å; D1986-T1989 VanDerWaalsContact OD1-OG1 3.06Å; D1986-T1989 WeakPolarHBondContact OD2-CB 2.98Å; D1986-T1989 PolarHBondContact OD2-OG1 3.18Å |
| 1990 | S | 68.3 | Low | 83.5 | Confident | 92 Ų | 92 | 45.8 Ų | 45.8 | 64% | 0.643 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -72.6 | 140.3 | 164.2 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | N1992 | S1990-N1992 PolarHBondContact O-N 2.78Š|
| 1991 | D | 78.8 | Confident | 83.2 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -48.2 | 135.7 | 173.3 | -57.2 | -41.7 | 0 | 0 | 0 | 110.9 | Y1912 W1983 D1984 A1985 D1986 | Y1912-D1991 HydrophobicContact CE1-CB 4.3Å; Y1912-D1991 VanDerWaalsContact OH-CB 3.3Å; Y1912-D1991 WeakPolarHBondContact OH-CB 3.24Å; Y1912-D1991 PolarHBondContact OH-OD2 2.93Å; W1983-D1991 HydrophobicContact CE3-CB 4Å; W1983-D1991 HydrophobicContact CZ3-CB 4.49Å; W1983-D1991 WeakPolarHBondContact CZ3-O 3.49Å; D1984-D1991 CarbonylContact O-C 3.58Å; D1984-D1991 VanDerWaalsContact O-CA 3.27Å; D1984-D1991 WeakPolarHBondContact O-CA 3.47Å; D1984-D1991 WeakPolarHBondContact O-CB 3.19Å; A1985-D1991 VanDerWaalsContact CA-OD1 3.31Å; A1985-D1991 WeakPolarHBondContact CA-OD1 3.23Å; D1986-D1991 PolarHBondContact N-OD1 2.7Å |
| 1992 | N | 82.6 | Confident | 82.7 | Confident | 63 Ų | 63 | 46 Ų | 46 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125 | -176.4 | -52.6 | -76 | 0 | 0 | 0 | 110 | W1983 D1984 D1986 S1990 | W1983-N1992 WeakPolarHBondContact CA-O 3.47Å; D1984-N1992 HydrophobicContact CB-CB 4.04Å; D1984-N1992 WeakPolarHBondContact CB-O 3.25Å; D1984-N1992 PolarHBondContact N-O 2.8Å; D1984-N1992 PolarHBondContact O-N 2.87Å; D1984-N1992 PolarHBondContact OD2-ND2 3.43Å; D1986-N1992 PolarHBondContact OD2-ND2 2.86Å; S1990-N1992 PolarHBondContact O-N 2.78Å |
| 1993 | F | 88.3 | Confident | 82.3 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 31% | 0.311 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.2 | 172.8 | 174.8 | -109.5 | 0 | 0 | 0 | 110.4 | Q1981 W1983 G1995 D2042 | Q1981-F1993 HydrophobicContact CB-CE2 4.41Å; Q1981-F1993 HydrophobicContact CG-CE2 4.12Å; W1983-F1993 HydrophobicContact CD2-CB 4.35Å; W1983-F1993 HydrophobicContact CD2-CD2 4.33Å; W1983-F1993 AromaticContact CE2-CD2 3.81Å; W1983-F1993 HydrophobicContact CE3-CB 4.06Å; W1983-F1993 HydrophobicContact CH2-CB 3.95Å; W1983-F1993 HydrophobicContact CH2-CD2 4.37Å; W1983-F1993 HydrophobicContact CZ2-CB 4.26Å; W1983-F1993 AromaticContact CZ2-CD2 3.83Å; W1983-F1993 HydrophobicContact CZ2-CD2 3.83Å; W1983-F1993 HydrophobicContact CZ2-CG 4.49Å; W1983-F1993 HydrophobicContact CZ3-CB 3.85Å; F1993-G1995 VanDerWaalsContact CE2-O 3.31Å; F1993-G1995 WeakPolarHBondContact CE2-O 3.41Å; F1993-D2042 HydrophobicContact CE1-CB 4.38Å |
| 1994 | I | 86.8 | Confident | 82 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -33.7 | 176 | -47.3 | -178.5 | 0 | 0 | 0 | 111.7 | V1895 K1896 V1982 D1984 Q2051 | V1895-I1994 HydrophobicContact CG1-CD1 3.58Å; V1895-I1994 HydrophobicContact CG1-CG2 3.99Å; K1896-I1994 HydrophobicContact CB-CG2 3.99Å; V1982-I1994 HydrophobicContact CG1-CB 4.45Å; V1982-I1994 HydrophobicContact CG1-CD1 4.25Å; V1982-I1994 WeakPolarHBondContact O-CA 3.37Å; V1982-I1994 WeakPolarHBondContact O-CB 3Å; V1982-I1994 PolarHBondContact O-N 2.67Å; D1984-I1994 HydrophobicContact CB-CD1 3.98Å; D1984-I1994 HydrophobicContact CB-CG1 4.18Å; I1994-Q2051 HydrophobicContact CG2-CB 4.08Å; I1994-Q2051 WeakPolarHBondContact O-CB 3.31Å; I1994-Q2051 WeakPolarHBondContact O-CG 3.34Å |
| 1995 | G | 90 | Very high | 81.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | 170.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1981 V1982 F1993 V2040 T2041 | Q1981-G1995 CarbonylContact C-O 3.45Å; Q1981-G1995 VanDerWaalsContact CA-O 3.23Å; Q1981-G1995 WeakPolarHBondContact CA-O 3.27Å; V1982-G1995 PolarHBondContact N-O 2.93Å; V1982-G1995 PolarHBondContact O-N 2.75Å; F1993-G1995 VanDerWaalsContact CE2-O 3.31Å; F1993-G1995 WeakPolarHBondContact CE2-O 3.41Å; G1995-V2040 WeakPolarHBondContact O-CG1 3.22Å; G1995-T2041 WeakPolarHBondContact CA-O 3.41Å |
| 1996 | S | 91.8 | Very high | 82 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161.7 | -174.7 | -171.4 | 0 | 0 | 0 | 0 | 113.2 | L1980 T2041 | L1980-S1996 CarbonylContact O-C 3.53Å; L1980-S1996 WeakPolarHBondContact O-CA 3.48Å; S1996-T2041 PolarHBondContact N-O 2.68Å; S1996-T2041 PolarHBondContact O-N 2.73Å; S1996-T2041 PolarHBondContact O-OG1 3.04Å; S1996-T2041 VanDerWaalsContact O-OG1 3.13Å |
| 1997 | L | 91.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 117 | 174.3 | 166.8 | 63.4 | 0 | 0 | 0 | 108.6 | T1979 L1980 M1999 L2019 W2038 V2054 | T1979-L1997 CarbonylContact C-O 3.52Å; T1979-L1997 VanDerWaalsContact CA-O 3.25Å; T1979-L1997 WeakPolarHBondContact CA-O 3.38Å; L1980-L1997 HydrophobicContact CB-CB 4.49Å; L1980-L1997 HydrophobicContact CD1-CD2 4.46Å; L1980-L1997 PolarHBondContact N-O 2.88Å; L1980-L1997 PolarHBondContact O-N 2.84Å; L1997-M1999 HydrophobicContact CD1-CG 3.75Å; L1997-M1999 HydrophobicContact CD1-SD 3.98Å; L1997-M1999 HydrophobicContact CD2-CE 3.84Å; L1997-M1999 HydrophobicContact CD2-SD 4.09Å; L1997-M1999 HydrophobicContact CG-CE 4.17Å; L1997-M1999 HydrophobicContact CG-CG 4.06Å; L1997-M1999 HydrophobicContact CG-SD 4.17Å; L1997-L2019 HydrophobicContact CD1-CD1 4.21Å; L1997-L2019 HydrophobicContact CD1-CD2 3.57Å; L1997-W2038 HydrophobicContact CD2-CB 3.48Å; L1997-W2038 VanDerWaalsContact CD2-CB 3.48Å; L1997-W2038 HydrophobicContact CD2-CG 4.2Å; L1997-V2054 HydrophobicContact CD2-CG1 4.47Å |
| 1998 | T | 88.8 | Confident | 83.4 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.8 | 175 | -58.8 | 0 | 0 | 0 | 0 | 111 | E1977 L1978 T1979 | E1977-T1998 HydrophobicContact CB-CG2 4.44Å; L1978-T1998 CarbonylContact O-C 3.53Å; L1978-T1998 WeakPolarHBondContact O-CA 3.39Å; T1979-T1998 WeakPolarHBondContact CG2-OG1 3.16Å; T1979-T1998 PolarHBondContact OG1-OG1 2.83Å |
| 1999 | M | 89 | Confident | 84.5 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 127.2 | -173.6 | -56.8 | -175.9 | -70.6 | 0 | 0 | 111.7 | L1978 L1997 L2004 P2005 W2038 | L1978-M1999 PolarHBondContact N-O 3.15Å; L1978-M1999 PolarHBondContact O-N 3.49Å; L1997-M1999 HydrophobicContact CD1-CG 3.75Å; L1997-M1999 HydrophobicContact CD1-SD 3.98Å; L1997-M1999 HydrophobicContact CD2-CE 3.84Å; L1997-M1999 HydrophobicContact CD2-SD 4.09Å; L1997-M1999 HydrophobicContact CG-CE 4.17Å; L1997-M1999 HydrophobicContact CG-CG 4.06Å; L1997-M1999 HydrophobicContact CG-SD 4.17Å; M1999-L2004 HydrophobicContact CB-CD2 4.47Å; M1999-L2004 HydrophobicContact CB-CG 4.07Å; M1999-L2004 HydrophobicContact CE-CD2 4.09Å; M1999-L2004 HydrophobicContact SD-CD2 3.68Å; M1999-L2004 HydrophobicContact SD-CG 4.31Å; M1999-P2005 HydrophobicContact CG-CG 4.47Å; M1999-P2005 HydrophobicContact SD-CG 4.45Å; M1999-W2038 HydrophobicContact CE-CD2 4.45Å; M1999-W2038 HydrophobicContact CE-CG 4.41Å; M1999-W2038 HydrophobicContact SD-CG 4.13Å |
| 2000 | R | 87.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.9 | 176.6 | -174.4 | 177.4 | 177.9 | 171.3 | -1.2 | 110.9 | D1955 C1976 E1977 S2002 S2003 L2004 | D1955-R2000 IonicContact OD2-CZ 2.96Å; D1955-R2000 VanDerWaalsContact OD2-CZ 3.27Å; D1955-R2000 IonicContact OD2-NE 3.18Å; D1955-R2000 PolarHBondContact OD2-NE 2.76Å; D1955-R2000 VanDerWaalsContact OD2-NE 3.09Å; D1955-R2000 IonicContact OD2-NH2 2.8Å; D1955-R2000 PolarHBondContact OD2-NH2 3.3Å; C1976-R2000 CarbonylContact O-C 3.57Å; C1976-R2000 WeakPolarHBondContact O-CA 3.38Å; E1977-R2000 HydrophobicContact CG-CB 3.97Å; E1977-R2000 HydrophobicContact CG-CG 4.12Å; R2000-S2002 VanDerWaalsContact C-N 3.26Å; R2000-S2002 WeakPolarHBondContact CG-OG 3.23Å; R2000-S2002 PolarHBondContact NE-OG 2.81Å; R2000-S2002 PolarHBondContact O-N 2.88Å; R2000-S2003 CarbonylContact O-C 3.52Å; R2000-S2003 PolarHBondContact O-N 3.24Å; R2000-L2004 WeakPolarHBondContact O-CA 3.37Å; R2000-L2004 PolarHBondContact O-N 3.09Å |
| 2001 | L | 84.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -65 | -27.2 | -173 | -60.2 | -169.1 | 0 | 0 | 0 | 113.9 | L1885 F1948 C1976 L1978 S2003 L2004 M2028 F2029 M2060 | L1885-L2001 HydrophobicContact CD1-CD1 4.22Å; L1885-L2001 HydrophobicContact CD2-CD1 3.67Å; L1885-L2001 HydrophobicContact CD2-CD2 3.98Å; L1885-L2001 HydrophobicContact CD2-CG 4.46Å; L1885-L2001 HydrophobicContact CG-CD1 4.42Å; F1948-L2001 HydrophobicContact CE1-CD1 4.26Å; F1948-L2001 HydrophobicContact CZ-CD1 3.95Å; C1976-L2001 HydrophobicContact CB-CB 4.45Å; C1976-L2001 PolarHBondContact O-N 3.49Å; C1976-L2001 WeakPolarHBondContact SG-CD1 3.43Å; L1978-L2001 HydrophobicContact CB-CD2 3.81Å; L2001-S2003 VanDerWaalsContact C-N 3.29Å; L2001-L2004 HydrophobicContact CD2-CD1 3.79Å; L2001-M2028 HydrophobicContact CB-CB 4.42Å; L2001-M2028 HydrophobicContact CD2-CG 4.47Å; L2001-M2028 PolarHBondContact O-N 3.44Å; L2001-F2029 HydrophobicContact CB-CE2 3.97Å; L2001-F2029 HydrophobicContact CB-CZ 4.31Å; L2001-M2060 HydrophobicContact CD1-SD 4.17Å |
| 2002 | S | 81.8 | Confident | 87 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -76 | -16.1 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | D1955 R2000 S2027 | D1955-S2002 WeakPolarHBondContact OD1-CB 2.96Å; D1955-S2002 PolarHBondContact OD1-OG 2.91Å; D1955-S2002 VanDerWaalsContact OD1-OG 3.07Å; D1955-S2002 WeakPolarHBondContact OD2-CB 3.48Å; D1955-S2002 PolarHBondContact OD2-OG 3.38Å; R2000-S2002 VanDerWaalsContact C-N 3.26Å; R2000-S2002 WeakPolarHBondContact CG-OG 3.23Å; R2000-S2002 PolarHBondContact NE-OG 2.81Å; R2000-S2002 PolarHBondContact O-N 2.88Å; S2002-S2027 WeakPolarHBondContact O-CA 3.4Å; S2002-S2027 VanDerWaalsContact O-CB 3.22Å; S2002-S2027 WeakPolarHBondContact O-CB 3.26Å; S2002-S2027 PolarHBondContact O-OG 2.89Å |
| 2003 | S | 84.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -147.8 | 61.9 | -178.3 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | R2000 L2001 R2025 F2026 | R2000-S2003 CarbonylContact O-C 3.52Å; R2000-S2003 PolarHBondContact O-N 3.24Å; L2001-S2003 VanDerWaalsContact C-N 3.29Å; S2003-R2025 VanDerWaalsContact O-CD 3.26Å; S2003-R2025 WeakPolarHBondContact O-CD 3.18Å; S2003-F2026 CarbonylContact C-O 3.49Å |
| 2004 | L | 85.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.3 | -173.3 | -151.3 | 158.4 | 0 | 0 | 0 | 110.3 | M1999 R2000 L2001 R2025 F2026 M2028 W2038 L2058 | M1999-L2004 HydrophobicContact CB-CD2 4.47Å; M1999-L2004 HydrophobicContact CB-CG 4.07Å; M1999-L2004 HydrophobicContact CE-CD2 4.09Å; M1999-L2004 HydrophobicContact SD-CD2 3.68Å; M1999-L2004 HydrophobicContact SD-CG 4.31Å; R2000-L2004 WeakPolarHBondContact O-CA 3.37Å; R2000-L2004 PolarHBondContact O-N 3.09Å; L2001-L2004 HydrophobicContact CD2-CD1 3.79Å; L2004-R2025 CarbonylContact O-C 3.56Å; L2004-R2025 VanDerWaalsContact O-CA 3.28Å; L2004-R2025 WeakPolarHBondContact O-CA 3.34Å; L2004-F2026 HydrophobicContact CB-CE1 4.26Å; L2004-F2026 HydrophobicContact CB-CZ 4.23Å; L2004-F2026 HydrophobicContact CD2-CE1 4.22Å; L2004-F2026 HydrophobicContact CD2-CZ 4.2Å; L2004-F2026 PolarHBondContact N-O 3.26Å; L2004-F2026 WeakPolarHBondContact O-CD1 3.17Å; L2004-F2026 WeakPolarHBondContact O-CE1 3.03Å; L2004-F2026 PolarHBondContact O-N 3.1Å; L2004-M2028 HydrophobicContact CD1-CG 3.47Å; L2004-M2028 VanDerWaalsContact CD1-CG 3.47Å; L2004-M2028 HydrophobicContact CD1-SD 4.08Å; L2004-W2038 HydrophobicContact CD2-CZ2 3.69Å; L2004-L2058 HydrophobicContact CD1-CD1 3.37Å; L2004-L2058 HydrophobicContact CD2-CD1 3.85Å; L2004-L2058 HydrophobicContact CG-CD1 4.28Å |
| 2005 | P | 86.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 146.9 | 179.2 | -18.7 | 30.1 | 0 | 0 | 0 | 113.8 | M1999 C2007 Q2018 R2025 W2038 | M1999-P2005 HydrophobicContact CG-CG 4.47Å; M1999-P2005 HydrophobicContact SD-CG 4.45Å; P2005-C2007 PolarHBondContact O-N 3.43Å; P2005-Q2018 WeakPolarHBondContact CB-O 3.45Å; P2005-R2025 HydrophobicContact CG-CG 4.39Å; P2005-W2038 PolarHBondContact O-NE1 2.94Å |
| 2006 | R | 86 | Confident | 87.2 | Confident | 159 Ų | 159 | 50.8 Ų | 50.8 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 131.5 | 179.2 | -74.3 | -163.5 | -67.5 | -152.8 | 2.1 | 112.8 | Q2018 P2024 F2026 | R2006-Q2018 PolarHBondContact O-NE2 3.07Å; R2006-P2024 WeakPolarHBondContact CG-O 3.28Å; R2006-P2024 PolarHBondContact N-O 3.25Å; R2006-P2024 VanDerWaalsContact NH2-CB 3.29Å; R2006-F2026 HydrophobicContact CG-CD1 3.88Å; R2006-F2026 HydrophobicContact CG-CE1 4.32Å |
| 2007 | C | 86.3 | Confident | 86.9 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -69 | 145.9 | 173.8 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | P2005 R2035 W2038 | P2005-C2007 PolarHBondContact O-N 3.43Å; C2007-R2035 PolarHBondContact SG-O 3.43Å; C2007-R2035 VanDerWaalsContact SG-O 3.36Å; C2007-W2038 HydrophobicContact CB-CD2 3.89Å; C2007-W2038 HydrophobicContact CB-CE3 3.92Å; C2007-W2038 HydrophobicContact CB-CH2 3.61Å; C2007-W2038 HydrophobicContact CB-CZ2 3.54Å; C2007-W2038 HydrophobicContact CB-CZ3 3.77Å |
| 2008 | A | 89.6 | Confident | 86.6 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 143.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T2010 S2013 C2014 Q2018 G2036 W2037 | A2008-T2010 VanDerWaalsContact C-N 3.28Å; A2008-T2010 PolarHBondContact O-N 3.1Å; A2008-S2013 WeakPolarHBondContact CB-O 3.24Å; A2008-C2014 HydrophobicContact CB-CB 3.83Å; A2008-Q2018 VanDerWaalsContact N-NE2 3.13Å; A2008-G2036 WeakPolarHBondContact O-CA 3.42Å; A2008-W2037 HydrophobicContact CB-CB 4.3Å; A2008-W2037 PolarHBondContact N-O 3.27Å; A2008-W2037 PolarHBondContact O-N 3.14Å |
| 2009 | K | 84.7 | Confident | 86.5 | Confident | 199 Ų | 199 | 53.1 Ų | 53.1 | 87% | 0.865 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -75.1 | -15 | -176.7 | -66 | -173.1 | 178.2 | -176.9 | 0 | 114.1 | ||
| 2010 | T | 88.4 | Confident | 86 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -146.2 | 156.1 | 176.2 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | A2008 K2012 S2013 C2014 W2037 | A2008-T2010 VanDerWaalsContact C-N 3.28Å; A2008-T2010 PolarHBondContact O-N 3.1Å; T2010-K2012 PolarHBondContact O-N 3.33Å; T2010-K2012 PolarHBondContact OG1-N 2.81Å; T2010-S2013 PolarHBondContact N-OG 3.44Å; T2010-S2013 PolarHBondContact O-N 2.83Å; T2010-S2013 VanDerWaalsContact O-N 3.08Å; T2010-S2013 PolarHBondContact O-OG 3.21Å; T2010-S2013 PolarHBondContact OG1-N 3.5Å; T2010-S2013 PolarHBondContact OG1-OG 3.17Å; T2010-C2014 PolarHBondContact O-N 3.41Å; T2010-W2037 VanDerWaalsContact CA-CD1 3.5Å |
| 2011 | A | 86.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -56 | -32.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1893 S2013 C2014 W2037 K2053 | A1893-A2011 HydrophobicContact CB-CB 3.92Å; A2011-S2013 VanDerWaalsContact C-N 3.34Å; A2011-S2013 PolarHBondContact O-N 2.78Å; A2011-C2014 WeakPolarHBondContact O-CB 3.47Å; A2011-C2014 PolarHBondContact O-N 2.72Å; A2011-C2014 VanDerWaalsContact O-N 3.17Å; A2011-W2037 HydrophobicContact CB-CD2 3.76Å; A2011-W2037 HydrophobicContact CB-CE3 3.73Å; A2011-W2037 HydrophobicContact CB-CG 4.44Å; A2011-W2037 HydrophobicContact CB-CH2 4Å; A2011-W2037 HydrophobicContact CB-CZ2 4.02Å; A2011-W2037 HydrophobicContact CB-CZ3 3.86Å; A2011-K2053 HydrophobicContact CB-CD 4.31Å; A2011-K2053 WeakPolarHBondContact O-CD 3.34Å; A2011-K2053 PolarHBondContact O-NZ 2.66Å |
| 2012 | K | 86.3 | Confident | 85.1 | Confident | 199 Ų | 199 | 64.1 Ų | 64.1 | 87% | 0.865 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -71.4 | -27.6 | 178.4 | -67.9 | -176.2 | 178.3 | 179 | 0 | 113.5 | T2010 C2014 | T2010-K2012 PolarHBondContact O-N 3.33Å; T2010-K2012 PolarHBondContact OG1-N 2.81Å; K2012-C2014 VanDerWaalsContact C-N 3.31Å |
| 2013 | S | 87.7 | Confident | 85 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -88.2 | 4.1 | 172 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | A2008 T2010 A2011 H2017 | A2008-S2013 WeakPolarHBondContact CB-O 3.24Å; T2010-S2013 PolarHBondContact N-OG 3.44Å; T2010-S2013 PolarHBondContact O-N 2.83Å; T2010-S2013 VanDerWaalsContact O-N 3.08Å; T2010-S2013 PolarHBondContact O-OG 3.21Å; T2010-S2013 PolarHBondContact OG1-N 3.5Å; T2010-S2013 PolarHBondContact OG1-OG 3.17Å; A2011-S2013 VanDerWaalsContact C-N 3.34Å; A2011-S2013 PolarHBondContact O-N 2.78Å; S2013-H2017 PolarHBondContact O-CE1 3.18Å |
| 2014 | C | 90.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | trans | -102.4 | 137 | -174.5 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | A2008 T2010 A2011 K2012 Q2018 W2037 K2053 | A2008-C2014 HydrophobicContact CB-CB 3.83Å; T2010-C2014 PolarHBondContact O-N 3.41Å; A2011-C2014 WeakPolarHBondContact O-CB 3.47Å; A2011-C2014 PolarHBondContact O-N 2.72Å; A2011-C2014 VanDerWaalsContact O-N 3.17Å; K2012-C2014 VanDerWaalsContact C-N 3.31Å; C2014-Q2018 VanDerWaalsContact CA-OE1 3.25Å; C2014-Q2018 PolarHBondContact SG-OE1 3.37Å; C2014-W2037 HydrophobicContact CB-CB 3.74Å; C2014-K2053 HydrophobicContact CB-CD 4.07Å; C2014-K2053 HydrophobicContact CB-CG 4.42Å; C2014-K2053 WeakPolarHBondContact O-CE 3.32Å; C2014-K2053 PolarHBondContact O-NZ 3.35Å | ||
| 2015 | G | 87.5 | Confident | 84.7 | Confident | 14 Ų | 14 | 70 Ų | 70 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 169.7 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H2017 Q2018 | G2015-H2017 PolarHBondContact O-N 3.33Å; G2015-H2017 PolarHBondContact O-ND1 3.31Å; G2015-Q2018 PolarHBondContact O-N 3.47Å |
| 2016 | L | 87.1 | Confident | 84.5 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -50 | -32.5 | -165.1 | -167.1 | 63.8 | 0 | 0 | 0 | 115.8 | Q2018 L2019 T2041 I2048 V2050 | L2016-Q2018 PolarHBondContact O-N 3.21Å; L2016-L2019 HydrophobicContact CD1-CD1 4.47Å; L2016-L2019 PolarHBondContact O-N 2.66Å; L2016-T2041 HydrophobicContact CD1-CG2 3.86Å; L2016-I2048 HydrophobicContact CD1-CB 4.47Å; L2016-I2048 HydrophobicContact CD1-CG2 3.83Å; L2016-V2050 HydrophobicContact CB-CG2 3.91Å; L2016-V2050 HydrophobicContact CD1-CG2 4.35Å |
| 2017 | H | 84.8 | Confident | 84.3 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -53.2 | -18.4 | 175.2 | 76.1 | -53.1 | 0 | 0 | 0 | 115.9 | S2013 G2015 L2019 E2020 | S2013-H2017 PolarHBondContact O-CE1 3.18Å; G2015-H2017 PolarHBondContact O-N 3.33Å; G2015-H2017 PolarHBondContact O-ND1 3.31Å; H2017-L2019 VanDerWaalsContact C-N 3.31Å; H2017-E2020 WeakPolarHBondContact CA-OE1 3.35Å |
| 2018 | Q | 86.9 | Confident | 84.3 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -76.6 | -14.3 | 173 | -69.9 | 176.6 | -100.6 | 0 | 0 | 113.8 | P2005 R2006 A2008 C2014 G2015 L2016 C2023 W2037 P2039 | P2005-Q2018 WeakPolarHBondContact CB-O 3.45Å; R2006-Q2018 PolarHBondContact O-NE2 3.07Å; A2008-Q2018 VanDerWaalsContact N-NE2 3.13Å; C2014-Q2018 VanDerWaalsContact CA-OE1 3.25Å; C2014-Q2018 PolarHBondContact SG-OE1 3.37Å; G2015-Q2018 PolarHBondContact O-N 3.47Å; L2016-Q2018 PolarHBondContact O-N 3.21Å; Q2018-C2023 PolarHBondContact O-SG 3.34Å; Q2018-C2023 VanDerWaalsContact O-SG 3.34Å; Q2018-W2037 PolarHBondContact NE2-O 2.94Å; Q2018-P2039 HydrophobicContact CB-CG 4.33Å |
| 2019 | L | 84.9 | Confident | 83.8 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -11.7 | -179 | -54.7 | -175.3 | 0 | 0 | 0 | 112.9 | L1997 L2016 H2017 R2025 P2039 T2041 | L1997-L2019 HydrophobicContact CD1-CD1 4.21Å; L1997-L2019 HydrophobicContact CD1-CD2 3.57Å; L2016-L2019 HydrophobicContact CD1-CD1 4.47Å; L2016-L2019 PolarHBondContact O-N 2.66Å; H2017-L2019 VanDerWaalsContact C-N 3.31Å; L2019-R2025 PolarHBondContact O-NH2 3.1Å; L2019-P2039 HydrophobicContact CD1-CG 3.97Å; L2019-P2039 HydrophobicContact CD2-CG 4.21Å; L2019-P2039 HydrophobicContact CG-CG 3.83Å; L2019-T2041 HydrophobicContact CD1-CG2 4.08Å |
| 2020 | E | 80.3 | Confident | 83.3 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -51.2 | 146.7 | -178.2 | -74.8 | 173.5 | -160.6 | 0 | 0 | 113 | H2017 D2022 C2023 R2025 | H2017-E2020 WeakPolarHBondContact CA-OE1 3.35Å; E2020-D2022 VanDerWaalsContact C-N 3.35Å; E2020-D2022 PolarHBondContact O-N 2.81Å; E2020-C2023 HydrophobicContact CB-CB 4.39Å; E2020-C2023 WeakPolarHBondContact O-CB 3.48Å; E2020-C2023 PolarHBondContact O-N 2.87Å; E2020-C2023 PolarHBondContact O-SG 3.3Å; E2020-R2025 PolarHBondContact O-NH2 2.97Å |
| 2021 | P | 74.3 | Confident | 83 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -40.1 | 179.1 | -29.4 | 39 | 0 | 0 | 0 | 113.8 | D1545 C2023 R2025 | D1545-P2021 HydrophobicContact CB-CB 3.81Å; D1545-P2021 HydrophobicContact CB-CG 3.62Å; D1545-P2021 WeakPolarHBondContact OD2-CB 3.35Å; D1545-P2021 WeakPolarHBondContact OD2-CG 3.4Å; P2021-C2023 PolarHBondContact O-N 2.7Å; P2021-C2023 VanDerWaalsContact O-N 3.14Å; P2021-R2025 PolarHBondContact O-NH1 3.01Å |
| 2022 | D | 77.8 | Confident | 82.8 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 5.3 | 174.6 | -71.3 | -14 | 0 | 0 | 0 | 113.1 | K1541 E2020 | K1541-D2022 VanDerWaalsContact NZ-CG 3.27Å; K1541-D2022 IonicContact NZ-OD1 2.73Å; K1541-D2022 PolarHBondContact NZ-OD1 3.03Å; K1541-D2022 IonicContact NZ-OD2 3.21Å; K1541-D2022 PolarHBondContact NZ-OD2 3.44Å; E2020-D2022 VanDerWaalsContact C-N 3.35Å; E2020-D2022 PolarHBondContact O-N 2.81Å |
| 2023 | C | 80.4 | Confident | 82.8 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -73.6 | 144.3 | -174.8 | 84.3 | 0 | 0 | 0 | 0 | 113.6 | Q2018 E2020 P2021 R2025 | Q2018-C2023 PolarHBondContact O-SG 3.34Å; Q2018-C2023 VanDerWaalsContact O-SG 3.34Å; E2020-C2023 HydrophobicContact CB-CB 4.39Å; E2020-C2023 WeakPolarHBondContact O-CB 3.48Å; E2020-C2023 PolarHBondContact O-N 2.87Å; E2020-C2023 PolarHBondContact O-SG 3.3Å; P2021-C2023 PolarHBondContact O-N 2.7Å; P2021-C2023 VanDerWaalsContact O-N 3.14Å; C2023-R2025 PolarHBondContact O-N 3.12Å; C2023-R2025 VanDerWaalsContact O-N 3.13Å; C2023-R2025 VanDerWaalsContact SG-CZ 3.55Å; C2023-R2025 PolarHBondContact SG-NH2 2.94Å |
| 2024 | P | 77.9 | Confident | 82.8 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | trans | -67.6 | 112.6 | 178 | -23.7 | 35.9 | 0 | 0 | 0 | 113.1 | R2006 | R2006-P2024 WeakPolarHBondContact CG-O 3.28Å; R2006-P2024 PolarHBondContact N-O 3.25Å; R2006-P2024 VanDerWaalsContact NH2-CB 3.29Å | ||
| 2025 | R | 84.7 | Confident | 82.8 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 159.2 | 177.3 | -69.6 | 172.9 | -179.1 | 95.7 | 8.5 | 112.3 | S2003 L2004 P2005 L2019 E2020 P2021 C2023 | S2003-R2025 VanDerWaalsContact O-CD 3.26Å; S2003-R2025 WeakPolarHBondContact O-CD 3.18Å; L2004-R2025 CarbonylContact O-C 3.56Å; L2004-R2025 VanDerWaalsContact O-CA 3.28Å; L2004-R2025 WeakPolarHBondContact O-CA 3.34Å; P2005-R2025 HydrophobicContact CG-CG 4.39Å; L2019-R2025 PolarHBondContact O-NH2 3.1Å; E2020-R2025 PolarHBondContact O-NH2 2.97Å; P2021-R2025 PolarHBondContact O-NH1 3.01Å; C2023-R2025 PolarHBondContact O-N 3.12Å; C2023-R2025 VanDerWaalsContact O-N 3.13Å; C2023-R2025 VanDerWaalsContact SG-CZ 3.55Å; C2023-R2025 PolarHBondContact SG-NH2 2.94Å |
| 2026 | F | 82.4 | Confident | 83 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.1 | 177.2 | 72.1 | -84 | 0 | 0 | 0 | 111.6 | S2003 L2004 R2006 M2028 N2031 A2034 | S2003-F2026 CarbonylContact C-O 3.49Å; L2004-F2026 HydrophobicContact CB-CE1 4.26Å; L2004-F2026 HydrophobicContact CB-CZ 4.23Å; L2004-F2026 HydrophobicContact CD2-CE1 4.22Å; L2004-F2026 HydrophobicContact CD2-CZ 4.2Å; L2004-F2026 PolarHBondContact N-O 3.26Å; L2004-F2026 WeakPolarHBondContact O-CD1 3.17Å; L2004-F2026 WeakPolarHBondContact O-CE1 3.03Å; L2004-F2026 PolarHBondContact O-N 3.1Å; R2006-F2026 HydrophobicContact CG-CD1 3.88Å; R2006-F2026 HydrophobicContact CG-CE1 4.32Å; F2026-M2028 HydrophobicContact CE2-CG 4.35Å; F2026-M2028 HydrophobicContact CE2-SD 3.62Å; F2026-M2028 HydrophobicContact CZ-SD 4.04Å; F2026-N2031 HydrophobicContact CD2-CB 3.89Å; F2026-N2031 HydrophobicContact CE2-CB 4.29Å; F2026-N2031 WeakPolarHBondContact CE2-ND2 3.48Å; F2026-A2034 HydrophobicContact CE2-CB 4.21Å; F2026-A2034 HydrophobicContact CZ-CB 3.62Å |
| 2027 | S | 82.3 | Confident | 83.4 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | trans | -93.9 | 124.3 | 179.7 | -172 | 0 | 0 | 0 | 0 | 111.2 | S2002 F2029 K2030 N2031 | S2002-S2027 WeakPolarHBondContact O-CA 3.4Å; S2002-S2027 VanDerWaalsContact O-CB 3.22Å; S2002-S2027 WeakPolarHBondContact O-CB 3.26Å; S2002-S2027 PolarHBondContact O-OG 2.89Å; S2027-F2029 PolarHBondContact O-N 3.3Å; S2027-K2030 PolarHBondContact O-N 2.83Å; S2027-N2031 PolarHBondContact O-N 3.16Å | ||
| 2028 | M | 84.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -33.1 | 171.3 | -73.6 | -63.7 | -60.3 | 0 | 0 | 111.8 | L1885 L2001 L2004 F2026 K2030 N2031 R2032 A2034 L2058 M2060 | L1885-M2028 HydrophobicContact CD1-CE 4.32Å; L2001-M2028 HydrophobicContact CB-CB 4.42Å; L2001-M2028 HydrophobicContact CD2-CG 4.47Å; L2001-M2028 PolarHBondContact O-N 3.44Å; L2004-M2028 HydrophobicContact CD1-CG 3.47Å; L2004-M2028 VanDerWaalsContact CD1-CG 3.47Å; L2004-M2028 HydrophobicContact CD1-SD 4.08Å; F2026-M2028 HydrophobicContact CE2-CG 4.35Å; F2026-M2028 HydrophobicContact CE2-SD 3.62Å; F2026-M2028 HydrophobicContact CZ-SD 4.04Å; M2028-K2030 PolarHBondContact O-N 3.02Å; M2028-K2030 VanDerWaalsContact O-N 3.09Å; M2028-N2031 WeakPolarHBondContact CA-O 3.18Å; M2028-N2031 CarbonylContact O-C 3.42Å; M2028-R2032 VanDerWaalsContact CE-O 3.32Å; M2028-R2032 WeakPolarHBondContact CE-O 3.44Å; M2028-R2032 WeakPolarHBondContact O-CA 3.29Å; M2028-A2034 HydrophobicContact SD-CB 4.36Å; M2028-L2058 HydrophobicContact CE-CB 3.63Å; M2028-L2058 HydrophobicContact SD-CB 4.11Å; M2028-L2058 HydrophobicContact SD-CD1 4.16Å; M2028-M2060 HydrophobicContact CB-CB 4.06Å; M2028-M2060 HydrophobicContact CB-CG 4.09Å; M2028-M2060 HydrophobicContact CB-SD 4.4Å; M2028-M2060 HydrophobicContact CE-CB 3.75Å |
| 2029 | F | 80 | Confident | 84.2 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -3.9 | 173.1 | -54.5 | -71 | 0 | 0 | 0 | 114.1 | Y1883 F1948 Y1950 C1976 L2001 S2027 M2060 | Y1883-F2029 HydrophobicContact CD1-CD1 4.04Å; Y1883-F2029 HydrophobicContact CD1-CE1 4.13Å; Y1883-F2029 AromaticContact CE1-CD1 3.9Å; Y1883-F2029 HydrophobicContact CE1-CD1 3.9Å; Y1883-F2029 HydrophobicContact CE1-CE1 4.4Å; Y1883-F2029 HydrophobicContact CG-CE1 4.3Å; F1948-F2029 AromaticContact CE2-CE1 3.99Å; F1948-F2029 HydrophobicContact CE2-CE1 3.99Å; F1948-F2029 HydrophobicContact CE2-CZ 4.06Å; F1948-F2029 HydrophobicContact CZ-CE1 4.18Å; F1948-F2029 HydrophobicContact CZ-CZ 4.21Å; Y1950-F2029 AromaticContact CD1-CD1 3.79Å; Y1950-F2029 HydrophobicContact CD1-CD1 3.79Å; Y1950-F2029 AromaticContact CD1-CE1 3.44Å; Y1950-F2029 HydrophobicContact CD1-CE1 3.44Å; Y1950-F2029 VanDerWaalsContact CD1-CE1 3.44Å; Y1950-F2029 HydrophobicContact CD1-CE2 4.36Å; Y1950-F2029 HydrophobicContact CD1-CG 4.39Å; Y1950-F2029 AromaticContact CD1-CZ 3.76Å; Y1950-F2029 HydrophobicContact CD1-CZ 3.76Å; Y1950-F2029 HydrophobicContact CD2-CE1 4.38Å; Y1950-F2029 HydrophobicContact CD2-CE2 4.43Å; Y1950-F2029 AromaticContact CD2-CZ 3.91Å; Y1950-F2029 HydrophobicContact CD2-CZ 3.91Å; Y1950-F2029 AromaticContact CE1-CD1 3.55Å; Y1950-F2029 HydrophobicContact CE1-CD1 3.55Å; Y1950-F2029 AromaticContact CE1-CD2 3.76Å; Y1950-F2029 HydrophobicContact CE1-CD2 3.76Å; Y1950-F2029 AromaticContact CE1-CE1 3.5Å; Y1950-F2029 HydrophobicContact CE1-CE1 3.5Å; Y1950-F2029 VanDerWaalsContact CE1-CE1 3.5Å; Y1950-F2029 AromaticContact CE1-CE2 3.71Å; Y1950-F2029 HydrophobicContact CE1-CE2 3.71Å; Y1950-F2029 AromaticContact CE1-CG 3.68Å; Y1950-F2029 HydrophobicContact CE1-CG 3.68Å; Y1950-F2029 AromaticContact CE1-CZ 3.58Å; Y1950-F2029 HydrophobicContact CE1-CZ 3.58Å; Y1950-F2029 HydrophobicContact CE2-CE1 4.44Å; Y1950-F2029 AromaticContact CE2-CE2 3.81Å; Y1950-F2029 HydrophobicContact CE2-CE2 3.81Å; Y1950-F2029 AromaticContact CE2-CZ 3.76Å; Y1950-F2029 HydrophobicContact CE2-CZ 3.76Å; Y1950-F2029 AromaticContact CG-CE1 3.91Å; Y1950-F2029 HydrophobicContact CG-CE1 3.91Å; Y1950-F2029 AromaticContact CG-CZ 3.93Å; Y1950-F2029 HydrophobicContact CG-CZ 3.93Å; Y1950-F2029 AromaticContact CZ-CD2 3.71Å; Y1950-F2029 AromaticContact CZ-CE2 3.41Å; Y1950-F2029 VanDerWaalsContact CZ-CE2 3.41Å; Y1950-F2029 AromaticContact CZ-CZ 3.59Å; C1976-F2029 HydrophobicContact CB-CE2 4.34Å; C1976-F2029 HydrophobicContact CB-CZ 4.18Å; L2001-F2029 HydrophobicContact CB-CE2 3.97Å; L2001-F2029 HydrophobicContact CB-CZ 4.31Å; S2027-F2029 PolarHBondContact O-N 3.3Å; F2029-M2060 HydrophobicContact CD1-CG 4.18Å; F2029-M2060 HydrophobicContact CD1-SD 3.85Å; F2029-M2060 HydrophobicContact CE1-CG 4.46Å; F2029-M2060 HydrophobicContact CE1-SD 3.53Å; F2029-M2060 VanDerWaalsContact CE1-SD 3.53Å; F2029-M2060 HydrophobicContact CZ-SD 4.18Å |
| 2030 | K | 75.1 | Confident | 84.6 | Confident | 185 Ų | 185 | 54.2 Ų | 54.2 | 80% | 0.804 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -52 | 170.9 | -65.5 | -174.2 | 177.9 | -175.4 | 0 | 111.7 | S2027 M2028 | S2027-K2030 PolarHBondContact O-N 2.83Å; M2028-K2030 PolarHBondContact O-N 3.02Å; M2028-K2030 VanDerWaalsContact O-N 3.09Å |
| 2031 | N | 81.5 | Confident | 85.1 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -100.4 | 93.7 | 175.2 | 174.1 | 50.1 | 0 | 0 | 0 | 108.9 | F2026 S2027 M2028 T2033 | F2026-N2031 HydrophobicContact CD2-CB 3.89Å; F2026-N2031 HydrophobicContact CE2-CB 4.29Å; F2026-N2031 WeakPolarHBondContact CE2-ND2 3.48Å; S2027-N2031 PolarHBondContact O-N 3.16Å; M2028-N2031 WeakPolarHBondContact CA-O 3.18Å; M2028-N2031 CarbonylContact O-C 3.42Å; N2031-T2033 PolarHBondContact ND2-O 3.05Å; N2031-T2033 PolarHBondContact O-N 2.81Å; N2031-T2033 VanDerWaalsContact O-N 3.08Å |
| 2032 | R | 83.1 | Confident | 85.8 | Confident | 101 Ų | 101 | 50.1 Ų | 50.1 | 38% | 0.381 | 24% | 0.244 | S | C | . | . | trans | -64.4 | -14.2 | -168.4 | -69.5 | -173.3 | 175.2 | -171.9 | -3.3 | 115.5 | M2028 E2059 M2060 E2065 | M2028-R2032 VanDerWaalsContact CE-O 3.32Å; M2028-R2032 WeakPolarHBondContact CE-O 3.44Å; M2028-R2032 WeakPolarHBondContact O-CA 3.29Å; R2032-E2059 CarbonylContact O-C 3.6Å; R2032-E2059 WeakPolarHBondContact O-CA 3.36Å; R2032-M2060 WeakPolarHBondContact CB-O 3.41Å; R2032-M2060 VanDerWaalsContact CD-O 3.29Å; R2032-M2060 WeakPolarHBondContact CD-O 3.42Å; R2032-M2060 VanDerWaalsContact CG-O 3.24Å; R2032-M2060 WeakPolarHBondContact CG-O 3.48Å; R2032-M2060 PolarHBondContact O-N 3.07Å; R2032-E2065 IonicContact CZ-OE1 3.98Å; R2032-E2065 IonicContact CZ-OE2 3.73Å; R2032-E2065 IonicContact NH1-OE1 2.74Å; R2032-E2065 PolarHBondContact NH1-OE1 2.99Å; R2032-E2065 IonicContact NH1-OE2 2.8Å; R2032-E2065 PolarHBondContact NH1-OE2 3.23Å; R2032-E2065 IonicContact NH2-OE1 2.72Å; R2032-E2065 PolarHBondContact NH2-OE1 3Å; R2032-E2065 IonicContact NH2-OE2 3.44Å; R2032-E2065 PolarHBondContact NH2-OE2 3.11Å | ||
| 2033 | T | 84.9 | Confident | 85.9 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.4 | -177.8 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | N2031 L2058 E2059 | N2031-T2033 PolarHBondContact ND2-O 3.05Å; N2031-T2033 PolarHBondContact O-N 2.81Å; N2031-T2033 VanDerWaalsContact O-N 3.08Å; T2033-L2058 WeakPolarHBondContact CA-O 3.46Å; T2033-E2059 HydrophobicContact CG2-CB 4.06Å; T2033-E2059 VanDerWaalsContact CG2-CD 3.46Å; T2033-E2059 HydrophobicContact CG2-CG 3.55Å; T2033-E2059 WeakPolarHBondContact CG2-OE2 3.2Å |
| 2034 | A | 88.3 | Confident | 85.5 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 122.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2026 M2028 W2038 Q2057 L2058 | F2026-A2034 HydrophobicContact CE2-CB 4.21Å; F2026-A2034 HydrophobicContact CZ-CB 3.62Å; M2028-A2034 HydrophobicContact SD-CB 4.36Å; A2034-W2038 HydrophobicContact CB-CH2 4.11Å; A2034-W2038 HydrophobicContact CB-CZ2 4.45Å; A2034-Q2057 CarbonylContact O-C 3.56Å; A2034-Q2057 WeakPolarHBondContact O-CA 3.46Å; A2034-L2058 PolarHBondContact N-O 3.22Å; A2034-L2058 PolarHBondContact O-N 2.87Å |
| 2035 | R | 90 | Very high | 85.1 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.8 | 171.1 | 178.9 | 176.3 | 174.1 | 162.8 | 0.1 | 111.6 | W1890 C2007 E2055 C2056 Q2057 | W1890-R2035 VanDerWaalsContact CE2-NH1 3.28Å; C2007-R2035 PolarHBondContact SG-O 3.43Å; C2007-R2035 VanDerWaalsContact SG-O 3.36Å; R2035-E2055 IonicContact CZ-OE1 3.67Å; R2035-E2055 VanDerWaalsContact CZ-OE1 3.23Å; R2035-E2055 IonicContact NE-OE1 2.68Å; R2035-E2055 PolarHBondContact NE-OE1 2.78Å; R2035-E2055 IonicContact NH2-OE1 3.75Å; R2035-E2055 PolarHBondContact NH2-OE1 2.78Å; R2035-E2055 IonicContact NH2-OE2 3.31Å; R2035-C2056 WeakPolarHBondContact CA-O 3.32Å; R2035-Q2057 HydrophobicContact CB-CB 3.89Å; R2035-Q2057 HydrophobicContact CB-CG 4.05Å; R2035-Q2057 HydrophobicContact CG-CB 3.96Å |
| 2036 | G | 92.9 | Very high | 84.1 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | -155 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A2008 E2055 C2056 | A2008-G2036 WeakPolarHBondContact O-CA 3.42Å; G2036-E2055 WeakPolarHBondContact O-CA 3.34Å; G2036-C2056 PolarHBondContact N-O 2.74Å; G2036-C2056 PolarHBondContact O-N 2.93Å |
| 2037 | W | 95.3 | Very high | 83.7 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.9 | -176.2 | -64.7 | 78.8 | 0 | 0 | 0 | 111.2 | N1891 A1893 A2008 T2010 A2011 C2014 Q2018 K2053 V2054 E2055 | N1891-W2037 HydrophobicContact CB-CH2 3.94Å; N1891-W2037 HydrophobicContact CB-CZ2 4.44Å; A1893-W2037 HydrophobicContact CB-CH2 3.7Å; A1893-W2037 HydrophobicContact CB-CZ3 3.54Å; A2008-W2037 HydrophobicContact CB-CB 4.3Å; A2008-W2037 PolarHBondContact N-O 3.27Å; A2008-W2037 PolarHBondContact O-N 3.14Å; T2010-W2037 VanDerWaalsContact CA-CD1 3.5Å; A2011-W2037 HydrophobicContact CB-CD2 3.76Å; A2011-W2037 HydrophobicContact CB-CE3 3.73Å; A2011-W2037 HydrophobicContact CB-CG 4.44Å; A2011-W2037 HydrophobicContact CB-CH2 4Å; A2011-W2037 HydrophobicContact CB-CZ2 4.02Å; A2011-W2037 HydrophobicContact CB-CZ3 3.86Å; C2014-W2037 HydrophobicContact CB-CB 3.74Å; Q2018-W2037 PolarHBondContact NE2-O 2.94Å; W2037-K2053 HydrophobicContact CE3-CB 3.94Å; W2037-K2053 HydrophobicContact CZ3-CB 4.29Å; W2037-V2054 VanDerWaalsContact CA-O 3.3Å; W2037-V2054 WeakPolarHBondContact CA-O 3.17Å; W2037-E2055 HydrophobicContact CD2-CB 3.76Å; W2037-E2055 HydrophobicContact CD2-CG 4.25Å; W2037-E2055 HydrophobicContact CE3-CB 3.94Å; W2037-E2055 HydrophobicContact CG-CB 4.39Å; W2037-E2055 HydrophobicContact CG-CG 4.48Å; W2037-E2055 HydrophobicContact CH2-CB 3.89Å; W2037-E2055 HydrophobicContact CZ2-CB 3.68Å; W2037-E2055 HydrophobicContact CZ2-CG 4.2Å; W2037-E2055 HydrophobicContact CZ3-CB 4Å |
| 2038 | W | 94.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.6 | 168.2 | -72.2 | -96.3 | 0 | 0 | 0 | 110.2 | L1997 M1999 L2004 P2005 C2007 A2034 V2054 C2056 L2058 | L1997-W2038 HydrophobicContact CD2-CB 3.48Å; L1997-W2038 VanDerWaalsContact CD2-CB 3.48Å; L1997-W2038 HydrophobicContact CD2-CG 4.2Å; M1999-W2038 HydrophobicContact CE-CD2 4.45Å; M1999-W2038 HydrophobicContact CE-CG 4.41Å; M1999-W2038 HydrophobicContact SD-CG 4.13Å; L2004-W2038 HydrophobicContact CD2-CZ2 3.69Å; P2005-W2038 PolarHBondContact O-NE1 2.94Å; C2007-W2038 HydrophobicContact CB-CD2 3.89Å; C2007-W2038 HydrophobicContact CB-CE3 3.92Å; C2007-W2038 HydrophobicContact CB-CH2 3.61Å; C2007-W2038 HydrophobicContact CB-CZ2 3.54Å; C2007-W2038 HydrophobicContact CB-CZ3 3.77Å; A2034-W2038 HydrophobicContact CB-CH2 4.11Å; A2034-W2038 HydrophobicContact CB-CZ2 4.45Å; W2038-V2054 PolarHBondContact N-O 2.88Å; W2038-V2054 PolarHBondContact O-N 2.82Å; W2038-C2056 WeakPolarHBondContact CZ3-SG 3.36Å; W2038-L2058 HydrophobicContact CH2-CD1 3.68Å; W2038-L2058 HydrophobicContact CH2-CG 3.77Å; W2038-L2058 HydrophobicContact CZ2-CD1 3.83Å; W2038-L2058 HydrophobicContact CZ2-CG 4.42Å; W2038-L2058 HydrophobicContact CZ3-CG 4.37Å |
| 2039 | P | 94 | Very high | 83.7 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 148.1 | 177.8 | 33.2 | -35.2 | 0 | 0 | 0 | 110.1 | Q2018 L2019 V2050 | Q2018-P2039 HydrophobicContact CB-CG 4.33Å; L2019-P2039 HydrophobicContact CD1-CG 3.97Å; L2019-P2039 HydrophobicContact CD2-CG 4.21Å; L2019-P2039 HydrophobicContact CG-CG 3.83Å; P2039-V2050 HydrophobicContact CB-CG1 4Å; P2039-V2050 HydrophobicContact CB-CG2 4.19Å |
| 2040 | V | 92.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.7 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | V1982 G1995 V2050 Q2051 G2052 V2054 | V1982-V2040 HydrophobicContact CB-CG1 4.33Å; V1982-V2040 HydrophobicContact CG2-CB 4.35Å; V1982-V2040 HydrophobicContact CG2-CG1 3.93Å; V1982-V2040 HydrophobicContact CG2-CG2 4Å; G1995-V2040 WeakPolarHBondContact O-CG1 3.22Å; V2040-V2050 CarbonylContact O-C 2.72Å; V2040-V2050 WeakPolarHBondContact O-CA 3.45Å; V2040-Q2051 PolarHBondContact O-N 2.92Å; V2040-G2052 PolarHBondContact N-O 2.92Å; V2040-G2052 PolarHBondContact O-N 3.27Å; V2040-V2054 HydrophobicContact CG2-CB 4.18Å; V2040-V2054 HydrophobicContact CG2-CG1 3.88Å |
| 2041 | T | 91.3 | Very high | 84.8 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.6 | -162.9 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | G1995 S1996 L2016 L2019 I2048 V2049 V2050 | G1995-T2041 WeakPolarHBondContact CA-O 3.41Å; S1996-T2041 PolarHBondContact N-O 2.68Å; S1996-T2041 PolarHBondContact O-N 2.73Å; S1996-T2041 PolarHBondContact O-OG1 3.04Å; S1996-T2041 VanDerWaalsContact O-OG1 3.13Å; L2016-T2041 HydrophobicContact CD1-CG2 3.86Å; L2019-T2041 HydrophobicContact CD1-CG2 4.08Å; T2041-I2048 HydrophobicContact CG2-CG2 3.77Å; T2041-V2049 CarbonylContact C-O 3.55Å; T2041-V2049 WeakPolarHBondContact CA-O 3.17Å; T2041-V2050 HydrophobicContact CG2-CG2 3.96Å |
| 2042 | D | 88.1 | Confident | 85.3 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 161.9 | 174.3 | -171.4 | 21.7 | 0 | 0 | 0 | 109.3 | F1993 V2049 Q2051 | F1993-D2042 HydrophobicContact CE1-CB 4.38Å; D2042-V2049 PolarHBondContact N-O 2.83Å; D2042-V2049 PolarHBondContact O-N 2.92Å; D2042-Q2051 HydrophobicContact CB-CG 3.52Å |
| 2043 | E | 80.8 | Confident | 85.8 | Confident | 145 Ų | 145 | 60.3 Ų | 60.3 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 102.3 | 179.4 | -69.9 | -173.8 | 160.9 | 0 | 0 | 110.8 | I2048 | E2043-I2048 HydrophobicContact CG-CG1 4.29Å |
| 2044 | E | 71.8 | Confident | 86.2 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124 | 171.4 | -70.5 | -173.3 | -173.2 | 0 | 0 | 109.4 | K1896 E2046 E2047 V2049 Q2051 | K1896-E2044 IonicContact NZ-OE1 2.85Å; K1896-E2044 PolarHBondContact NZ-OE1 2.81Å; E2044-E2046 VanDerWaalsContact C-N 3.3Å; E2044-E2046 PolarHBondContact O-N 2.95Å; E2044-E2047 PolarHBondContact N-O 2.9Å; E2044-E2047 PolarHBondContact O-N 2.65Å; E2044-V2049 HydrophobicContact CB-CG2 4.1Å; E2044-Q2051 VanDerWaalsContact CD-NE2 3.32Å; E2044-Q2051 PolarHBondContact OE1-NE2 2.85Å |
| 2045 | D | 70.2 | Confident | 86.6 | Confident | 169 Ų | 169 | 57.7 Ų | 57.7 | 90% | 0.904 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.8 | 178.3 | -71.3 | -24.6 | 0 | 0 | 0 | 114.9 | E2047 | D2045-E2047 VanDerWaalsContact C-N 3.26Å; D2045-E2047 PolarHBondContact O-N 3.06Å |
| 2046 | E | 63.6 | Low | 86.7 | Confident | 196 Ų | 196 | 52.2 Ų | 52.2 | 92% | 0.916 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 7.4 | -176.2 | -54.8 | 178.9 | -179.3 | 0 | 0 | 115.5 | E2044 | E2044-E2046 VanDerWaalsContact C-N 3.3Å; E2044-E2046 PolarHBondContact O-N 2.95Å |
| 2047 | E | 74.4 | Confident | 86.7 | Confident | 150 Ų | 150 | 54 Ų | 54 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 139.2 | 170.2 | -70.3 | -168.5 | 172.4 | 0 | 0 | 112.4 | E2044 D2045 V2049 | E2044-E2047 PolarHBondContact N-O 2.9Å; E2044-E2047 PolarHBondContact O-N 2.65Å; D2045-E2047 VanDerWaalsContact C-N 3.26Å; D2045-E2047 PolarHBondContact O-N 3.06Å; E2047-V2049 PolarHBondContact O-N 3.39Å |
| 2048 | I | 80.6 | Confident | 86.6 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 45% | 0.451 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 104.5 | 177.7 | -56.6 | 175.9 | 0 | 0 | 0 | 109.6 | L2016 T2041 E2043 | L2016-I2048 HydrophobicContact CD1-CB 4.47Å; L2016-I2048 HydrophobicContact CD1-CG2 3.83Å; T2041-I2048 HydrophobicContact CG2-CG2 3.77Å; E2043-I2048 HydrophobicContact CG-CG1 4.29Å |
| 2049 | V | 85.8 | Confident | 86.3 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 30% | 0.303 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 138 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | T2041 D2042 E2044 E2047 Q2051 | T2041-V2049 CarbonylContact C-O 3.55Å; T2041-V2049 WeakPolarHBondContact CA-O 3.17Å; D2042-V2049 PolarHBondContact N-O 2.83Å; D2042-V2049 PolarHBondContact O-N 2.92Å; E2044-V2049 HydrophobicContact CB-CG2 4.1Å; E2047-V2049 PolarHBondContact O-N 3.39Å; V2049-Q2051 PolarHBondContact O-N 2.88Å |
| 2050 | V | 87.3 | Confident | 86.1 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 108.2 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | L2016 P2039 V2040 T2041 G2052 | L2016-V2050 HydrophobicContact CB-CG2 3.91Å; L2016-V2050 HydrophobicContact CD1-CG2 4.35Å; P2039-V2050 HydrophobicContact CB-CG1 4Å; P2039-V2050 HydrophobicContact CB-CG2 4.19Å; V2040-V2050 CarbonylContact O-C 2.72Å; V2040-V2050 WeakPolarHBondContact O-CA 3.45Å; T2041-V2050 HydrophobicContact CG2-CG2 3.96Å; V2050-G2052 WeakPolarHBondContact CG1-O 3.35Å |
| 2051 | Q | 90.4 | Very high | 85.8 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -12.3 | -175.8 | -56.7 | -69.9 | 8 | 0 | 0 | 113.6 | V1895 K1896 I1994 V2040 D2042 E2044 V2049 | V1895-Q2051 WeakPolarHBondContact CA-O 3.19Å; K1896-Q2051 PolarHBondContact N-O 3.3Å; I1994-Q2051 HydrophobicContact CG2-CB 4.08Å; I1994-Q2051 WeakPolarHBondContact O-CB 3.31Å; I1994-Q2051 WeakPolarHBondContact O-CG 3.34Å; V2040-Q2051 PolarHBondContact O-N 2.92Å; D2042-Q2051 HydrophobicContact CB-CG 3.52Å; E2044-Q2051 VanDerWaalsContact CD-NE2 3.32Å; E2044-Q2051 PolarHBondContact OE1-NE2 2.85Å; V2049-Q2051 PolarHBondContact O-N 2.88Å |
| 2052 | G | 91.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -179.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2040 V2050 | V2040-G2052 PolarHBondContact N-O 2.92Å; V2040-G2052 PolarHBondContact O-N 3.27Å; V2050-G2052 WeakPolarHBondContact CG1-O 3.35Å |
| 2053 | K | 94.4 | Very high | 85.3 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 138.3 | 178.7 | -60 | 163.9 | -177.7 | 177 | 0 | 109.5 | T1892 A1893 D1894 A2011 C2014 W2037 | T1892-K2053 CarbonylContact C-O 3.35Å; T1892-K2053 WeakPolarHBondContact CA-O 3.37Å; T1892-K2053 WeakPolarHBondContact CB-O 3.38Å; A1893-K2053 PolarHBondContact N-O 3.29Å; A1893-K2053 PolarHBondContact O-N 3.16Å; D1894-K2053 HydrophobicContact CB-CD 4.24Å; D1894-K2053 WeakPolarHBondContact OD2-CD 3.29Å; D1894-K2053 VanDerWaalsContact OD2-CE 3.3Å; D1894-K2053 WeakPolarHBondContact OD2-CE 3.33Å; D1894-K2053 IonicContact OD2-NZ 3.02Å; D1894-K2053 PolarHBondContact OD2-NZ 2.9Å; A2011-K2053 HydrophobicContact CB-CD 4.31Å; A2011-K2053 WeakPolarHBondContact O-CD 3.34Å; A2011-K2053 PolarHBondContact O-NZ 2.66Å; C2014-K2053 HydrophobicContact CB-CD 4.07Å; C2014-K2053 HydrophobicContact CB-CG 4.42Å; C2014-K2053 WeakPolarHBondContact O-CE 3.32Å; C2014-K2053 PolarHBondContact O-NZ 3.35Å; W2037-K2053 HydrophobicContact CE3-CB 3.94Å; W2037-K2053 HydrophobicContact CZ3-CB 4.29Å |
| 2054 | V | 94 | Very high | 85.2 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | 177.7 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | V1889 T1892 L1980 L1997 W2037 W2038 V2040 | V1889-V2054 HydrophobicContact CG1-CG2 4.18Å; T1892-V2054 HydrophobicContact CG2-CB 4.38Å; T1892-V2054 HydrophobicContact CG2-CG2 4.3Å; L1980-V2054 HydrophobicContact CD1-CG1 4.36Å; L1997-V2054 HydrophobicContact CD2-CG1 4.47Å; W2037-V2054 VanDerWaalsContact CA-O 3.3Å; W2037-V2054 WeakPolarHBondContact CA-O 3.17Å; W2038-V2054 PolarHBondContact N-O 2.88Å; W2038-V2054 PolarHBondContact O-N 2.82Å; V2040-V2054 HydrophobicContact CG2-CB 4.18Å; V2040-V2054 HydrophobicContact CG2-CG1 3.88Å |
| 2055 | E | 95.1 | Very high | 85.7 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.2 | 164.2 | -167.5 | -169.1 | 176.8 | 0 | 0 | 108.9 | W1890 N1891 R2035 G2036 W2037 | W1890-E2055 HydrophobicContact CB-CB 4.25Å; W1890-E2055 HydrophobicContact CB-CG 4.18Å; W1890-E2055 PolarHBondContact N-O 2.77Å; N1891-E2055 HydrophobicContact CB-CB 4.25Å; N1891-E2055 PolarHBondContact ND2-OE2 2.91Å; N1891-E2055 PolarHBondContact O-N 2.81Å; R2035-E2055 IonicContact CZ-OE1 3.67Å; R2035-E2055 VanDerWaalsContact CZ-OE1 3.23Å; R2035-E2055 IonicContact NE-OE1 2.68Å; R2035-E2055 PolarHBondContact NE-OE1 2.78Å; R2035-E2055 IonicContact NH2-OE1 3.75Å; R2035-E2055 PolarHBondContact NH2-OE1 2.78Å; R2035-E2055 IonicContact NH2-OE2 3.31Å; G2036-E2055 WeakPolarHBondContact O-CA 3.34Å; W2037-E2055 HydrophobicContact CD2-CB 3.76Å; W2037-E2055 HydrophobicContact CD2-CG 4.25Å; W2037-E2055 HydrophobicContact CE3-CB 3.94Å; W2037-E2055 HydrophobicContact CG-CB 4.39Å; W2037-E2055 HydrophobicContact CG-CG 4.48Å; W2037-E2055 HydrophobicContact CH2-CB 3.89Å; W2037-E2055 HydrophobicContact CZ2-CB 3.68Å; W2037-E2055 HydrophobicContact CZ2-CG 4.2Å; W2037-E2055 HydrophobicContact CZ3-CB 4Å |
| 2056 | C | 93.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 164.8 | 172.4 | 64.5 | 0 | 0 | 0 | 0 | 114 | V1887 I1888 R2035 G2036 W2038 | V1887-C2056 HydrophobicContact CG1-CB 3.68Å; I1888-C2056 CarbonylContact O-C 3.6Å; I1888-C2056 WeakPolarHBondContact O-CA 3.34Å; I1888-C2056 VanDerWaalsContact O-CB 3.31Å; I1888-C2056 WeakPolarHBondContact O-CB 3.32Å; R2035-C2056 WeakPolarHBondContact CA-O 3.32Å; G2036-C2056 PolarHBondContact N-O 2.74Å; G2036-C2056 PolarHBondContact O-N 2.93Å; W2038-C2056 WeakPolarHBondContact CZ3-SG 3.36Å |
| 2057 | Q | 92.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 109.6 | 175.3 | 171.7 | 177.5 | -23.8 | 0 | 0 | 109.5 | V1887 I1888 A2034 R2035 | V1887-Q2057 CarbonylContact C-O 3.53Å; V1887-Q2057 WeakPolarHBondContact CA-O 3.39Å; I1888-Q2057 HydrophobicContact CB-CB 4.24Å; I1888-Q2057 HydrophobicContact CD1-CB 4.43Å; I1888-Q2057 HydrophobicContact CD1-CG 4.47Å; I1888-Q2057 PolarHBondContact N-O 3.02Å; I1888-Q2057 PolarHBondContact O-N 3.37Å; A2034-Q2057 CarbonylContact O-C 3.56Å; A2034-Q2057 WeakPolarHBondContact O-CA 3.46Å; R2035-Q2057 HydrophobicContact CB-CB 3.89Å; R2035-Q2057 HydrophobicContact CB-CG 4.05Å; R2035-Q2057 HydrophobicContact CG-CB 3.96Å |
| 2058 | L | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138.9 | 176.1 | -40.1 | 179 | 0 | 0 | 0 | 110.3 | R1886 V1887 L1978 L2004 M2028 T2033 A2034 W2038 | R1886-L2058 CarbonylContact O-C 3.43Å; R1886-L2058 VanDerWaalsContact O-CA 3.22Å; R1886-L2058 WeakPolarHBondContact O-CA 3.45Å; V1887-L2058 HydrophobicContact CB-CD2 4.17Å; V1887-L2058 HydrophobicContact CG1-CD2 3.84Å; V1887-L2058 HydrophobicContact CG2-CD2 3.55Å; L1978-L2058 HydrophobicContact CD2-CD2 3.97Å; L2004-L2058 HydrophobicContact CD1-CD1 3.37Å; L2004-L2058 HydrophobicContact CD2-CD1 3.85Å; L2004-L2058 HydrophobicContact CG-CD1 4.28Å; M2028-L2058 HydrophobicContact CE-CB 3.63Å; M2028-L2058 HydrophobicContact SD-CB 4.11Å; M2028-L2058 HydrophobicContact SD-CD1 4.16Å; T2033-L2058 WeakPolarHBondContact CA-O 3.46Å; A2034-L2058 PolarHBondContact N-O 3.22Å; A2034-L2058 PolarHBondContact O-N 2.87Å; W2038-L2058 HydrophobicContact CH2-CD1 3.68Å; W2038-L2058 HydrophobicContact CH2-CG 3.77Å; W2038-L2058 HydrophobicContact CZ2-CD1 3.83Å; W2038-L2058 HydrophobicContact CZ2-CG 4.42Å; W2038-L2058 HydrophobicContact CZ3-CG 4.37Å |
| 2059 | E | 87.9 | Confident | 87.2 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 136.2 | 169.3 | -172.9 | 162.9 | 150.1 | 0 | 0 | 112.2 | E1452 L1885 R1886 R2032 T2033 L2061 | E1452-E2059 HydrophobicContact CG-CB 4.09Å; E1452-E2059 VanDerWaalsContact CG-CD 3.42Å; E1452-E2059 HydrophobicContact CG-CG 3.85Å; E1452-E2059 WeakPolarHBondContact CG-OE1 3.17Å; E1452-E2059 WeakPolarHBondContact OE1-CB 3.22Å; E1452-E2059 VanDerWaalsContact OE1-OE2 3.12Å; L1885-E2059 CarbonylContact C-O 3.43Å; L1885-E2059 WeakPolarHBondContact CA-O 3.49Å; R1886-E2059 HydrophobicContact CB-CB 3.83Å; R1886-E2059 HydrophobicContact CG-CB 4.43Å; R1886-E2059 PolarHBondContact N-O 3.29Å; R1886-E2059 PolarHBondContact O-N 2.93Å; R2032-E2059 CarbonylContact O-C 3.6Å; R2032-E2059 WeakPolarHBondContact O-CA 3.36Å; T2033-E2059 HydrophobicContact CG2-CB 4.06Å; T2033-E2059 VanDerWaalsContact CG2-CD 3.46Å; T2033-E2059 HydrophobicContact CG2-CG 3.55Å; T2033-E2059 WeakPolarHBondContact CG2-OE2 3.2Å; E2059-L2061 HydrophobicContact CG-CD1 4.11Å; E2059-L2061 HydrophobicContact CG-CD2 4.44Å; E2059-L2061 HydrophobicContact CG-CG 4.33Å |
| 2060 | M | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 118.5 | -164.7 | 174.1 | 90.6 | -73.4 | 0 | 0 | 111.9 | Y1883 E1884 L1885 F1948 L2001 M2028 F2029 R2032 | Y1883-M2060 HydrophobicContact CD1-CE 4.17Å; Y1883-M2060 HydrophobicContact CD1-CG 4.41Å; Y1883-M2060 HydrophobicContact CD1-SD 4.4Å; E1884-M2060 WeakPolarHBondContact O-CE 3.48Å; L1885-M2060 HydrophobicContact CB-CE 3.67Å; L1885-M2060 HydrophobicContact CD1-CB 4.21Å; L1885-M2060 HydrophobicContact CD1-CE 4.2Å; L1885-M2060 HydrophobicContact CD1-SD 4.17Å; F1948-M2060 HydrophobicContact CE1-CE 4.02Å; F1948-M2060 HydrophobicContact CZ-CE 3.61Å; F1948-M2060 HydrophobicContact CZ-SD 3.92Å; L2001-M2060 HydrophobicContact CD1-SD 4.17Å; M2028-M2060 HydrophobicContact CB-CB 4.06Å; M2028-M2060 HydrophobicContact CB-CG 4.09Å; M2028-M2060 HydrophobicContact CB-SD 4.4Å; M2028-M2060 HydrophobicContact CE-CB 3.75Å; F2029-M2060 HydrophobicContact CD1-CG 4.18Å; F2029-M2060 HydrophobicContact CD1-SD 3.85Å; F2029-M2060 HydrophobicContact CE1-CG 4.46Å; F2029-M2060 HydrophobicContact CE1-SD 3.53Å; F2029-M2060 VanDerWaalsContact CE1-SD 3.53Å; F2029-M2060 HydrophobicContact CZ-SD 4.18Å; R2032-M2060 WeakPolarHBondContact CB-O 3.41Å; R2032-M2060 VanDerWaalsContact CD-O 3.29Å; R2032-M2060 WeakPolarHBondContact CD-O 3.42Å; R2032-M2060 VanDerWaalsContact CG-O 3.24Å; R2032-M2060 WeakPolarHBondContact CG-O 3.48Å; R2032-M2060 PolarHBondContact O-N 3.07Å |
| 2061 | L | 85.3 | Confident | 87 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 166 | -165.8 | -41.8 | 95.8 | 0 | 0 | 0 | 111 | E1452 K1453 Y1883 E1884 E2059 E2065 | E1452-L2061 HydrophobicContact CB-CD1 4.45Å; E1452-L2061 HydrophobicContact CG-CD1 4.16Å; E1452-L2061 HydrophobicContact CG-CD2 4.15Å; K1453-L2061 VanDerWaalsContact C-CD2 3.48Å; K1453-L2061 WeakPolarHBondContact O-CD2 3.36Å; Y1883-L2061 CarbonylContact C-O 3.42Å; Y1883-L2061 WeakPolarHBondContact CA-O 3.45Å; Y1883-L2061 WeakPolarHBondContact CB-O 3.44Å; Y1883-L2061 WeakPolarHBondContact CD1-O 3.49Å; E1884-L2061 PolarHBondContact N-O 3.01Å; E1884-L2061 WeakPolarHBondContact O-CD1 3.45Å; E1884-L2061 PolarHBondContact O-N 3.29Å; E2059-L2061 HydrophobicContact CG-CD1 4.11Å; E2059-L2061 HydrophobicContact CG-CD2 4.44Å; E2059-L2061 HydrophobicContact CG-CG 4.33Å; L2061-E2065 HydrophobicContact CB-CB 4.49Å |
| 2062 | N | 86 | Confident | 86.7 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 162 | 173.9 | 79 | 57.8 | 0 | 0 | 0 | 112.6 | A2064 E2065 A2066 | N2062-A2064 VanDerWaalsContact C-N 3.28Å; N2062-A2064 PolarHBondContact O-N 3Å; N2062-A2064 PolarHBondContact OD1-N 3.11Å; N2062-E2065 VanDerWaalsContact CG-CD 3.5Å; N2062-E2065 PolarHBondContact N-OE2 3.31Å; N2062-E2065 WeakPolarHBondContact ND2-CG 3.43Å; N2062-E2065 PolarHBondContact ND2-OE1 2.9Å; N2062-E2065 PolarHBondContact ND2-OE2 3.4Å; N2062-E2065 WeakPolarHBondContact O-CB 3.49Å; N2062-E2065 PolarHBondContact O-N 2.75Å; N2062-E2065 PolarHBondContact OD1-N 2.96Å; N2062-A2066 VanDerWaalsContact O-CB 3.3Å; N2062-A2066 WeakPolarHBondContact O-CB 3.49Å; N2062-A2066 PolarHBondContact O-N 3.37Å |
| 2063 | S | 82.8 | Confident | 86.5 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.3 | -174.1 | -164.4 | 0 | 0 | 0 | 0 | 115.2 | G1882 A2066 E2067 | G1882-S2063 PolarHBondContact O-N 3.43Å; S2063-A2066 CarbonylContact O-C 3.18Å; S2063-A2066 PolarHBondContact O-N 3.01Å; S2063-E2067 PolarHBondContact O-N 3.18Å |
| 2064 | A | 79.3 | Confident | 86.2 | Confident | 73 Ų | 73 | 36.6 Ų | 36.6 | 60% | 0.603 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -36 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N2062 A2066 E2067 | N2062-A2064 VanDerWaalsContact C-N 3.28Å; N2062-A2064 PolarHBondContact O-N 3Å; N2062-A2064 PolarHBondContact OD1-N 3.11Å; A2064-A2066 PolarHBondContact O-N 2.82Å; A2064-E2067 PolarHBondContact O-N 3.36Å |
| 2065 | E | 81.2 | Confident | 85.9 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -54.5 | -48.5 | 162.1 | -65.3 | 164.3 | 176.8 | 0 | 0 | 108 | K1453 R2032 L2061 N2062 E2067 S2068 | K1453-E2065 VanDerWaalsContact C-C 3.5Å; K1453-E2065 CarbonylContact C-O 3.13Å; K1453-E2065 WeakPolarHBondContact CB-O 3.44Å; K1453-E2065 CarbonylContact O-C 3.55Å; K1453-E2065 WeakPolarHBondContact O-CB 3.49Å; R2032-E2065 IonicContact CZ-OE1 3.98Å; R2032-E2065 IonicContact CZ-OE2 3.73Å; R2032-E2065 IonicContact NH1-OE1 2.74Å; R2032-E2065 PolarHBondContact NH1-OE1 2.99Å; R2032-E2065 IonicContact NH1-OE2 2.8Å; R2032-E2065 PolarHBondContact NH1-OE2 3.23Å; R2032-E2065 IonicContact NH2-OE1 2.72Å; R2032-E2065 PolarHBondContact NH2-OE1 3Å; R2032-E2065 IonicContact NH2-OE2 3.44Å; R2032-E2065 PolarHBondContact NH2-OE2 3.11Å; L2061-E2065 HydrophobicContact CB-CB 4.49Å; N2062-E2065 VanDerWaalsContact CG-CD 3.5Å; N2062-E2065 PolarHBondContact N-OE2 3.31Å; N2062-E2065 WeakPolarHBondContact ND2-CG 3.43Å; N2062-E2065 PolarHBondContact ND2-OE1 2.9Å; N2062-E2065 PolarHBondContact ND2-OE2 3.4Å; N2062-E2065 WeakPolarHBondContact O-CB 3.49Å; N2062-E2065 PolarHBondContact O-N 2.75Å; N2062-E2065 PolarHBondContact OD1-N 2.96Å; E2065-E2067 PolarHBondContact O-N 2.82Å; E2065-S2068 WeakPolarHBondContact O-CB 3.4Å; E2065-S2068 PolarHBondContact O-N 3.15Å; E2065-S2068 PolarHBondContact O-OG 3.15Å |
| 2066 | A | 83.6 | Confident | 85.3 | Confident | 13 Ų | 13 | 44 Ų | 44 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -67.6 | 3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1453 E1884 N2062 S2063 A2064 | K1453-A2066 WeakPolarHBondContact CD-O 3.21Å; K1453-A2066 VanDerWaalsContact CE-C 3.45Å; K1453-A2066 WeakPolarHBondContact CE-O 3.48Å; K1453-A2066 HydrophobicContact CG-CB 4.43Å; K1453-A2066 WeakPolarHBondContact CG-O 3.47Å; K1453-A2066 PolarHBondContact NZ-O 2.86Å; K1453-A2066 WeakPolarHBondContact O-CA 3.39Å; K1453-A2066 PolarHBondContact O-N 3.07Å; K1453-A2066 VanDerWaalsContact O-N 3.11Å; E1884-A2066 HydrophobicContact CB-CB 4.08Å; N2062-A2066 VanDerWaalsContact O-CB 3.3Å; N2062-A2066 WeakPolarHBondContact O-CB 3.49Å; N2062-A2066 PolarHBondContact O-N 3.37Å; S2063-A2066 CarbonylContact O-C 3.18Å; S2063-A2066 PolarHBondContact O-N 3.01Å; A2064-A2066 PolarHBondContact O-N 2.82Å |
| 2067 | E | 76.5 | Confident | 84.6 | Confident | 147 Ų | 147 | 50.8 Ų | 50.8 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -97.2 | -16 | 169 | -78.5 | 179.2 | -173.2 | 0 | 0 | 113.4 | K1453 S2063 A2064 E2065 | K1453-E2067 VanDerWaalsContact CE-O 3.24Å; K1453-E2067 WeakPolarHBondContact CE-O 3.46Å; K1453-E2067 VanDerWaalsContact NZ-CA 3.32Å; K1453-E2067 PolarHBondContact NZ-O 2.99Å; S2063-E2067 PolarHBondContact O-N 3.18Å; A2064-E2067 PolarHBondContact O-N 3.36Å; E2065-E2067 PolarHBondContact O-N 2.82Å |
| 2068 | S | 80.8 | Confident | 83 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.9 | -66.9 | -173.9 | 65.3 | 0 | 0 | 0 | 0 | 118.2 | K1453 I1454 E2065 P2070 | K1453-S2068 VanDerWaalsContact CE-C 3.47Å; K1453-S2068 VanDerWaalsContact CE-N 3.25Å; I1454-S2068 PolarHBondContact N-OG 2.89Å; E2065-S2068 WeakPolarHBondContact O-CB 3.4Å; E2065-S2068 PolarHBondContact O-N 3.15Å; E2065-S2068 PolarHBondContact O-OG 3.15Å; S2068-P2070 VanDerWaalsContact O-CD 3.31Å; S2068-P2070 WeakPolarHBondContact O-CD 3.5Å |
| 2069 | N | 81.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 56 Ų | 56 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -110.3 | 84.4 | -169.5 | -65.5 | -99.8 | 0 | 0 | 0 | 114.3 | K1453 I1454 | K1453-N2069 HydrophobicContact CB-CB 3.88Å; K1453-N2069 VanDerWaalsContact CB-N 3.26Å; K1453-N2069 WeakPolarHBondContact CB-O 3.46Å; K1453-N2069 VanDerWaalsContact CD-C 3.47Å; K1453-N2069 VanDerWaalsContact CD-O 3.26Å; K1453-N2069 WeakPolarHBondContact CD-O 3.39Å; K1453-N2069 VanDerWaalsContact CG-O 3.26Å; K1453-N2069 WeakPolarHBondContact CG-O 3.35Å; I1454-N2069 HydrophobicContact CB-CB 4.02Å; I1454-N2069 HydrophobicContact CD1-CB 3.88Å; I1454-N2069 HydrophobicContact CG1-CB 4.49Å; I1454-N2069 HydrophobicContact CG2-CB 4.27Å; I1454-N2069 VanDerWaalsContact CG2-ND2 3.34Å; I1454-N2069 WeakPolarHBondContact CG2-ND2 3.39Å |
| 2070 | P | 83.7 | Confident | 81.9 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | trans | -62.7 | 160.9 | -173.8 | 28.9 | -37.4 | 0 | 0 | 0 | 115.6 | S2068 P2078 N2079 | S2068-P2070 VanDerWaalsContact O-CD 3.31Å; S2068-P2070 WeakPolarHBondContact O-CD 3.5Å; P2070-P2078 HydrophobicContact CB-CG 4.22Å; P2070-P2078 HydrophobicContact CG-CG 4.24Å; P2070-P2078 WeakPolarHBondContact O-CB 3.49Å; P2070-N2079 PolarHBondContact O-ND2 3.47Å; P2070-N2079 VanDerWaalsContact O-ND2 3.14Å | ||
| 2071 | A | 84.7 | Confident | 81.7 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -165.3 | 167.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1451 P2078 N2079 | L1451-A2071 HydrophobicContact CD1-CB 3.32Å; L1451-A2071 HydrophobicContact CD2-CB 3.51Å; L1451-A2071 HydrophobicContact CG-CB 3.92Å; A2071-P2078 WeakPolarHBondContact CA-O 3.32Å; A2071-P2078 HydrophobicContact CB-CB 4.29Å; A2071-P2078 WeakPolarHBondContact CB-O 3.36Å; A2071-N2079 HydrophobicContact CB-CB 3.79Å | ||
| 2072 | G | 84.5 | Confident | 81.5 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | trans | -103.6 | 166.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | K1450 E2076 P2078 | K1450-G2072 WeakPolarHBondContact CD-O 3.36Å; K1450-G2072 VanDerWaalsContact CE-C 3.45Å; K1450-G2072 WeakPolarHBondContact CE-O 3.47Å; K1450-G2072 PolarHBondContact NZ-O 2.94Å; G2072-E2076 PolarHBondContact N-O 2.95Å; G2072-P2078 PolarHBondContact N-O 2.87Å; G2072-P2078 VanDerWaalsContact N-O 3.12Å | ||
| 2073 | L | 87.1 | Confident | 81.1 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 34% | 0.335 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -62.2 | 146.7 | -174.6 | -87.2 | 168.1 | 0 | 0 | 0 | 112.9 | K1450 I1945 R2075 E2076 | K1450-L2073 HydrophobicContact CD-CB 4.46Å; K1450-L2073 HydrophobicContact CD-CD2 4.04Å; K1450-L2073 HydrophobicContact CD-CG 4.02Å; I1945-L2073 HydrophobicContact CD1-CD2 4.26Å; L2073-R2075 PolarHBondContact O-N 3.02Å; L2073-E2076 WeakPolarHBondContact CB-OE2 3.04Å; L2073-E2076 PolarHBondContact N-OE2 2.75Å; L2073-E2076 VanDerWaalsContact O-CB 3.22Å; L2073-E2076 WeakPolarHBondContact O-CB 3.43Å; L2073-E2076 WeakPolarHBondContact O-CG 3.31Å; L2073-E2076 PolarHBondContact O-N 3.5Å |
| 2074 | G | 86.6 | Confident | 81 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | 52.5 | -94.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1942 R1943 | W1942-G2074 VanDerWaalsContact CE2-CA 3.47Å; R1943-G2074 PolarHBondContact N-O 2.82Å |
| 2075 | R | 87.8 | Confident | 80.7 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 21% | 0.211 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 12.9 | 176.5 | -50 | -173.6 | -170.5 | 100.1 | -0.6 | 113.7 | D1928 F1940 N1941 W1942 L2073 G2080 L2081 | D1928-R2075 IonicContact OD1-CZ 3.69Å; D1928-R2075 IonicContact OD1-NH1 3.86Å; D1928-R2075 IonicContact OD1-NH2 2.76Å; D1928-R2075 PolarHBondContact OD1-NH2 2.59Å; D1928-R2075 IonicContact OD2-CZ 3.31Å; D1928-R2075 VanDerWaalsContact OD2-CZ 3.31Å; D1928-R2075 IonicContact OD2-NH1 2.8Å; D1928-R2075 PolarHBondContact OD2-NH1 3.22Å; D1928-R2075 IonicContact OD2-NH2 2.87Å; D1928-R2075 PolarHBondContact OD2-NH2 3.04Å; F1940-R2075 PolarHBondContact O-NE 2.85Å; F1940-R2075 PolarHBondContact O-NH2 3.32Å; N1941-R2075 WeakPolarHBondContact O-CG 3.47Å; N1941-R2075 PolarHBondContact O-NE 2.79Å; W1942-R2075 HydrophobicContact CE3-CG 4.19Å; L2073-R2075 PolarHBondContact O-N 3.02Å; R2075-G2080 VanDerWaalsContact O-CA 3.25Å; R2075-G2080 WeakPolarHBondContact O-CA 3.5Å; R2075-L2081 HydrophobicContact CB-CB 4.4Å; R2075-L2081 HydrophobicContact CG-CB 4.32Å |
| 2076 | E | 83.8 | Confident | 80.3 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 157.1 | -176.5 | -64.7 | 171.2 | 163.4 | 0 | 0 | 112.4 | G2072 L2073 P2078 | G2072-E2076 PolarHBondContact N-O 2.95Å; L2073-E2076 WeakPolarHBondContact CB-OE2 3.04Å; L2073-E2076 PolarHBondContact N-OE2 2.75Å; L2073-E2076 VanDerWaalsContact O-CB 3.22Å; L2073-E2076 WeakPolarHBondContact O-CB 3.43Å; L2073-E2076 WeakPolarHBondContact O-CG 3.31Å; L2073-E2076 PolarHBondContact O-N 3.5Å; E2076-P2078 VanDerWaalsContact O-O 3.07Å |
| 2077 | E | 76.8 | Confident | 79.2 | Confident | 141 Ų | 141 | 75.2 Ų | 75.2 | 66% | 0.659 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -73.4 | 153.6 | 170.6 | -76.8 | -61.4 | 136 | 0 | 0 | 111.4 | N2079 G2080 | E2077-N2079 PolarHBondContact OE2-N 2.86Å; E2077-G2080 WeakPolarHBondContact OE1-CA 3.32Å; E2077-G2080 PolarHBondContact OE1-N 2.61Å |
| 2078 | P | 60.3 | Low | 77.8 | Confident | 58 Ų | 58 | 76 Ų | 76 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | S | Bend | cis | -66.5 | 163.2 | -1.3 | -18 | 28.1 | 0 | 0 | 0 | 114.7 | P2070 A2071 G2072 E2076 G2080 | P2070-P2078 HydrophobicContact CB-CG 4.22Å; P2070-P2078 HydrophobicContact CG-CG 4.24Å; P2070-P2078 WeakPolarHBondContact O-CB 3.49Å; A2071-P2078 WeakPolarHBondContact CA-O 3.32Å; A2071-P2078 HydrophobicContact CB-CB 4.29Å; A2071-P2078 WeakPolarHBondContact CB-O 3.36Å; G2072-P2078 PolarHBondContact N-O 2.87Å; G2072-P2078 VanDerWaalsContact N-O 3.12Å; E2076-P2078 VanDerWaalsContact O-O 3.07Å; P2078-G2080 PolarHBondContact O-N 2.96Å |
| 2079 | N | 77.5 | Confident | 76.2 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 47.6 | 53.3 | 179.7 | -57.2 | -57.7 | 0 | 0 | 0 | 113.7 | R1943 P2070 A2071 E2077 | R1943-N2079 VanDerWaalsContact CZ-O 3.31Å; R1943-N2079 PolarHBondContact NH1-O 2.87Å; R1943-N2079 PolarHBondContact NH2-O 2.94Å; P2070-N2079 PolarHBondContact O-ND2 3.47Å; P2070-N2079 VanDerWaalsContact O-ND2 3.14Å; A2071-N2079 HydrophobicContact CB-CB 3.79Å; E2077-N2079 PolarHBondContact OE2-N 2.86Å |
| 2080 | G | 78.7 | Confident | 74.2 | Confident | 27 Ų | 27 | 77 Ų | 77 | 28% | 0.278 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61 | 136.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2075 E2077 P2078 | R2075-G2080 VanDerWaalsContact O-CA 3.25Å; R2075-G2080 WeakPolarHBondContact O-CA 3.5Å; E2077-G2080 WeakPolarHBondContact OE1-CA 3.32Å; E2077-G2080 PolarHBondContact OE1-N 2.61Å; P2078-G2080 PolarHBondContact O-N 2.96Å |
| 2081 | L | 86.6 | Confident | 72.2 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 12% | 0.12 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 144.6 | 178.1 | -73.7 | 178.4 | 0 | 0 | 0 | 111 | I1888 N1941 R1943 R2075 K2083 | I1888-L2081 HydrophobicContact CG2-CD1 4.02Å; N1941-L2081 HydrophobicContact CB-CB 4.49Å; N1941-L2081 WeakPolarHBondContact O-CD1 3.34Å; R1943-L2081 HydrophobicContact CB-CD1 3.9Å; R2075-L2081 HydrophobicContact CB-CB 4.4Å; R2075-L2081 HydrophobicContact CG-CB 4.32Å; L2081-K2083 PolarHBondContact O-N 2.8Å |
| 2082 | P | 82.4 | Confident | 70.5 | Confident | 85 Ų | 85 | 84.2 Ų | 84.2 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 138.4 | 175.2 | 26.5 | -34.4 | 0 | 0 | 0 | 110.1 | N1941 | N1941-P2082 WeakPolarHBondContact CB-O 3.5Å; N1941-P2082 PolarHBondContact ND2-O 2.99Å |
| 2083 | K | 77.1 | Confident | 68.6 | Low | 187 Ų | 187 | 92 Ų | 92 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 137.1 | 173.6 | -66.8 | -175.9 | 178.8 | -177.4 | 0 | 109.5 | L2081 | L2081-K2083 PolarHBondContact O-N 2.8Š|
| 2084 | P | 81.5 | Confident | 66.5 | Low | 19 Ų | 19 | 94 Ų | 94 | 12% | 0.123 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 146.5 | 178.7 | 28.8 | -35.7 | 0 | 0 | 0 | 110.7 | N1939 R2086 | N1939-P2084 HydrophobicContact CB-CB 4.08Å; P2084-R2086 HydrophobicContact CB-CG 4.12Å; P2084-R2086 HydrophobicContact CG-CG 4Å; P2084-R2086 PolarHBondContact O-N 3.03Å |
| 2085 | D | 72.1 | Confident | 64.6 | Low | 164 Ų | 164 | 98.1 Ų | 98.1 | 88% | 0.877 | 51% | 0.513 | S | S | * | . | trans | -76.9 | 75 | 175.9 | -166.6 | 18.3 | 0 | 0 | 0 | 109.8 | ||||
| 2086 | R | 72.9 | Confident | 62.3 | Low | 63 Ų | 63 | 97 Ų | 97 | 24% | 0.238 | 52% | 0.519 | C | S | . | . | trans | -96.5 | 142.4 | 177.1 | -65 | -179.5 | -176.8 | 152.5 | -2.6 | 109.8 | D1928 N1939 P2084 | D1928-R2086 VanDerWaalsContact CG-NH1 3.33Å; D1928-R2086 IonicContact OD1-CZ 3.93Å; D1928-R2086 IonicContact OD1-NH1 3.41Å; D1928-R2086 PolarHBondContact OD1-NH1 3.49Å; D1928-R2086 IonicContact OD1-NH2 3.19Å; D1928-R2086 PolarHBondContact OD1-NH2 2.8Å; D1928-R2086 IonicContact OD2-CZ 2.74Å; D1928-R2086 IonicContact OD2-NH1 2.83Å; D1928-R2086 PolarHBondContact OD2-NH1 2.99Å; D1928-R2086 IonicContact OD2-NH2 3.17Å; N1939-R2086 VanDerWaalsContact O-CZ 3.26Å; N1939-R2086 PolarHBondContact O-NE 2.86Å; N1939-R2086 PolarHBondContact O-NH2 2.72Å; P2084-R2086 HydrophobicContact CB-CG 4.12Å; P2084-R2086 HydrophobicContact CG-CG 4Å; P2084-R2086 PolarHBondContact O-N 3.03Å | ||
| 2087 | P | 61.2 | Low | 60.4 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | trans | -60.9 | 142.2 | 169.7 | 27.4 | -34.4 | 0 | 0 | 0 | 110.8 | A2089 | P2087-A2089 PolarHBondContact O-N 3.39Š| ||
| 2088 | D | 46.8 | Very low | 58.9 | Low | 163 Ų | 163 | 95.5 Ų | 95.5 | 87% | 0.872 | 52% | 0.524 | S | S | * | . | trans | -62.9 | 98.7 | -178.6 | -115 | -27.4 | 0 | 0 | 0 | 111 | S2090 | D2088-S2090 PolarHBondContact O-N 2.95Š| ||
| 2089 | A | 46.4 | Very low | 58.1 | Low | 62 Ų | 62 | 96.2 Ų | 96.2 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | trans | -71.8 | 62.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | P2087 F2091 M2092 | P2087-A2089 PolarHBondContact O-N 3.39Å; A2089-F2091 PolarHBondContact O-N 2.93Å; A2089-M2092 PolarHBondContact O-N 2.95Å | ||
| 2090 | S | 40.4 | Very low | 56.6 | Low | 90 Ų | 90 | 94.2 Ų | 94.2 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -10.5 | -170 | 56 | 0 | 0 | 0 | 0 | 115.7 | D2088 M2092 K2093 | D2088-S2090 PolarHBondContact O-N 2.95Å; S2090-M2092 VanDerWaalsContact C-N 3.28Å; S2090-M2092 PolarHBondContact O-N 2.91Å; S2090-K2093 PolarHBondContact O-N 2.91Å |
| 2091 | F | 41.5 | Very low | 54.8 | Low | 138 Ų | 138 | 97.4 Ų | 97.4 | 61% | 0.605 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17 | 176.1 | -82.2 | -87.9 | 0 | 0 | 0 | 114.8 | A2089 K2093 F2094 L2095 | A2089-F2091 PolarHBondContact O-N 2.93Å; F2091-K2093 PolarHBondContact O-N 3.48Å; F2091-K2093 VanDerWaalsContact O-N 3.08Å; F2091-F2094 WeakPolarHBondContact O-CB 3.42Å; F2091-F2094 PolarHBondContact O-N 3.26Å; F2091-L2095 PolarHBondContact O-N 3.34Å |
| 2092 | M | 47.8 | Very low | 52.8 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 45% | 0.453 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -20.5 | 173.5 | -79.7 | -66.6 | 173 | 0 | 0 | 113.6 | Y1931 A2089 S2090 F2094 L2095 | Y1931-M2092 HydrophobicContact CD1-CE 3.99Å; Y1931-M2092 HydrophobicContact CD2-CE 4.02Å; Y1931-M2092 HydrophobicContact CE1-CE 3.78Å; Y1931-M2092 HydrophobicContact CE2-CE 3.77Å; Y1931-M2092 HydrophobicContact CG-CE 4.13Å; A2089-M2092 PolarHBondContact O-N 2.95Å; S2090-M2092 VanDerWaalsContact C-N 3.28Å; S2090-M2092 PolarHBondContact O-N 2.91Å; M2092-F2094 PolarHBondContact O-N 3.16Å; M2092-L2095 HydrophobicContact CE-CD1 3.88Å; M2092-L2095 PolarHBondContact O-N 3.13Å; M2092-L2095 HydrophobicContact SD-CB 4.2Å; M2092-L2095 HydrophobicContact SD-CD1 3.73Å |
| 2093 | K | 45.3 | Very low | 51 | Low | 174 Ų | 174 | 108.2 Ų | 108.2 | 76% | 0.757 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.6 | -17.1 | 169.2 | -93.7 | 177.4 | 177.6 | 167 | 0 | 114.5 | S2090 F2091 N2099 | S2090-K2093 PolarHBondContact O-N 2.91Å; F2091-K2093 PolarHBondContact O-N 3.48Å; F2091-K2093 VanDerWaalsContact O-N 3.08Å; K2093-N2099 PolarHBondContact O-ND2 3.28Å |
| 2094 | F | 43.9 | Very low | 49.5 | Very low | 107 Ų | 107 | 103.7 Ų | 103.7 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -97.4 | -26.8 | 175.9 | -84.3 | -85.9 | 0 | 0 | 0 | 113.9 | F2091 M2092 T2100 Y2103 | F2091-F2094 WeakPolarHBondContact O-CB 3.42Å; F2091-F2094 PolarHBondContact O-N 3.26Å; M2092-F2094 PolarHBondContact O-N 3.16Å; F2094-T2100 WeakPolarHBondContact O-CB 3.32Å; F2094-T2100 WeakPolarHBondContact O-CG2 3.45Å; F2094-T2100 PolarHBondContact O-OG1 3.15Å; F2094-Y2103 HydrophobicContact CE1-CD2 4.28Å |
| 2095 | L | 45 | Very low | 48.1 | Very low | 90 Ų | 90 | 105 Ų | 105 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76 | -19.1 | 179.3 | -74.7 | 169.7 | 0 | 0 | 0 | 113.9 | I1987 F2091 M2092 P2097 | I1987-L2095 HydrophobicContact CD1-CD1 4.42Å; F2091-L2095 PolarHBondContact O-N 3.34Å; M2092-L2095 HydrophobicContact CE-CD1 3.88Å; M2092-L2095 PolarHBondContact O-N 3.13Å; M2092-L2095 HydrophobicContact SD-CB 4.2Å; M2092-L2095 HydrophobicContact SD-CD1 3.73Å; L2095-P2097 WeakPolarHBondContact O-CD 3.45Å; L2095-P2097 VanDerWaalsContact O-N 3.11Å |
| 2096 | G | 40.2 | Very low | 47 | Very low | 32 Ų | 32 | 103.7 Ų | 103.7 | 33% | 0.33 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -57.1 | 115.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L2098 N2099 T2100 | G2096-L2098 PolarHBondContact O-N 3.2Å; G2096-N2099 WeakPolarHBondContact O-CB 3.28Å; G2096-N2099 PolarHBondContact O-N 3.36Å; G2096-T2100 PolarHBondContact O-N 2.91Å; G2096-T2100 PolarHBondContact O-OG1 3.08Å |
| 2097 | P | 44.2 | Very low | 45.7 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 65% | 0.649 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.9 | -26.3 | -159.5 | 18.7 | -31.9 | 0 | 0 | 0 | 113.8 | L2095 N2099 L2101 | L2095-P2097 WeakPolarHBondContact O-CD 3.45Å; L2095-P2097 VanDerWaalsContact O-N 3.11Å; P2097-N2099 VanDerWaalsContact C-N 3.28Å; P2097-N2099 PolarHBondContact O-N 3.19Å; P2097-L2101 WeakPolarHBondContact O-CA 3.34Å; P2097-L2101 WeakPolarHBondContact O-CB 3.34Å; P2097-L2101 PolarHBondContact O-N 2.85Å |
| 2098 | L | 44.2 | Very low | 45.1 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.7 | -27.8 | 174.1 | -68.5 | 171.3 | 0 | 0 | 0 | 113.5 | G2096 R2102 | G2096-L2098 PolarHBondContact O-N 3.2Å; L2098-R2102 VanDerWaalsContact O-CB 3.23Å; L2098-R2102 WeakPolarHBondContact O-CB 3.43Å; L2098-R2102 VanDerWaalsContact O-CG 3.25Å; L2098-R2102 WeakPolarHBondContact O-CG 3.2Å; L2098-R2102 PolarHBondContact O-N 2.66Å |
| 2099 | N | 43.8 | Very low | 45.1 | Very low | 72 Ų | 72 | 108.1 Ų | 108.1 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -83.9 | -44.3 | 176.9 | -76.4 | -15.5 | 0 | 0 | 0 | 111.8 | K2093 G2096 P2097 R2102 Y2103 | K2093-N2099 PolarHBondContact O-ND2 3.28Å; G2096-N2099 WeakPolarHBondContact O-CB 3.28Å; G2096-N2099 PolarHBondContact O-N 3.36Å; P2097-N2099 VanDerWaalsContact C-N 3.28Å; P2097-N2099 PolarHBondContact O-N 3.19Å; N2099-R2102 WeakPolarHBondContact O-CB 3.39Å; N2099-R2102 PolarHBondContact O-N 3.37Å; N2099-Y2103 PolarHBondContact O-N 2.69Å |
| 2100 | T | 45.6 | Very low | 45.1 | Very low | 52 Ų | 52 | 111.1 Ų | 111.1 | 32% | 0.319 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 173.7 | -2.3 | 0 | 0 | 0 | 0 | 110.7 | F2094 G2096 Y2103 L2104 | F2094-T2100 WeakPolarHBondContact O-CB 3.32Å; F2094-T2100 WeakPolarHBondContact O-CG2 3.45Å; F2094-T2100 PolarHBondContact O-OG1 3.15Å; G2096-T2100 PolarHBondContact O-N 2.91Å; G2096-T2100 PolarHBondContact O-OG1 3.08Å; T2100-Y2103 PolarHBondContact O-N 3.33Å; T2100-L2104 PolarHBondContact O-N 3.1Å |
| 2101 | L | 42 | Very low | 45.8 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 171.8 | -172.8 | 71.2 | 0 | 0 | 0 | 111 | P2097 Y2103 L2104 V2105 | P2097-L2101 WeakPolarHBondContact O-CA 3.34Å; P2097-L2101 WeakPolarHBondContact O-CB 3.34Å; P2097-L2101 PolarHBondContact O-N 2.85Å; L2101-Y2103 PolarHBondContact O-N 3.31Å; L2101-L2104 PolarHBondContact O-N 2.68Å; L2101-V2105 HydrophobicContact CD1-CG2 3.67Å; L2101-V2105 HydrophobicContact CG-CG2 3.82Å; L2101-V2105 WeakPolarHBondContact O-CB 3.45Å; L2101-V2105 WeakPolarHBondContact O-CG2 3.32Å; L2101-V2105 PolarHBondContact O-N 3.09Å |
| 2102 | R | 44.7 | Very low | 46.7 | Very low | 189 Ų | 189 | 113.9 Ų | 113.9 | 71% | 0.713 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -54.5 | -40.7 | 173.8 | -94.3 | 175.9 | 164 | 177 | -3.6 | 112.3 | L2098 N2099 K2106 | L2098-R2102 VanDerWaalsContact O-CB 3.23Å; L2098-R2102 WeakPolarHBondContact O-CB 3.43Å; L2098-R2102 VanDerWaalsContact O-CG 3.25Å; L2098-R2102 WeakPolarHBondContact O-CG 3.2Å; L2098-R2102 PolarHBondContact O-N 2.66Å; N2099-R2102 WeakPolarHBondContact O-CB 3.39Å; N2099-R2102 PolarHBondContact O-N 3.37Å; R2102-K2106 WeakPolarHBondContact O-CB 3.37Å; R2102-K2106 PolarHBondContact O-N 3.22Å |
| 2103 | Y | 43.4 | Very low | 47.1 | Very low | 145 Ų | 145 | 113.2 Ų | 113.2 | 57% | 0.569 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71 | -49.8 | -179.5 | -148.4 | -89.5 | 0 | 0 | 0 | 112.1 | F2094 N2099 T2100 L2101 K2106 Y2107 | F2094-Y2103 HydrophobicContact CE1-CD2 4.28Å; N2099-Y2103 PolarHBondContact O-N 2.69Å; T2100-Y2103 PolarHBondContact O-N 3.33Å; L2101-Y2103 PolarHBondContact O-N 3.31Å; Y2103-K2106 PolarHBondContact O-N 2.81Å; Y2103-Y2107 HydrophobicContact CE1-CD2 4.41Å; Y2103-Y2107 PolarHBondContact O-N 2.66Å |
| 2104 | L | 46.8 | Very low | 48.1 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.9 | -78.7 | 164.7 | 0 | 0 | 0 | 112.6 | T2100 L2101 R2108 L2109 | T2100-L2104 PolarHBondContact O-N 3.1Å; L2101-L2104 PolarHBondContact O-N 2.68Å; L2104-R2108 PolarHBondContact O-N 2.9Å; L2104-L2109 HydrophobicContact CB-CD1 4.15Å; L2104-L2109 PolarHBondContact O-N 3.38Å |
| 2105 | V | 52.1 | Low | 49.3 | Very low | 46 Ų | 46 | 110.5 Ų | 110.5 | 28% | 0.279 | 52% | 0.518 | S | S | . | . | I | π-helix | trans | -66.6 | -36.5 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | L2101 K2110 L2113 | L2101-V2105 HydrophobicContact CD1-CG2 3.67Å; L2101-V2105 HydrophobicContact CG-CG2 3.82Å; L2101-V2105 WeakPolarHBondContact O-CB 3.45Å; L2101-V2105 WeakPolarHBondContact O-CG2 3.32Å; L2101-V2105 PolarHBondContact O-N 3.09Å; V2105-K2110 VanDerWaalsContact O-CB 3.31Å; V2105-K2110 WeakPolarHBondContact O-CB 3.39Å; V2105-K2110 PolarHBondContact O-N 3.36Å; V2105-L2113 HydrophobicContact CB-CD1 4.49Å; V2105-L2113 HydrophobicContact CG1-CD1 4.2Å; V2105-L2113 HydrophobicContact CG2-CD1 3.64Å |
| 2106 | K | 48.2 | Very low | 50.8 | Low | 137 Ų | 137 | 110.9 Ų | 110.9 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | I | π-helix | trans | -68 | -37.5 | 179.1 | -173 | 172.1 | 180 | -179.3 | 0 | 113 | R2102 Y2103 | R2102-K2106 WeakPolarHBondContact O-CB 3.37Å; R2102-K2106 PolarHBondContact O-N 3.22Å; Y2103-K2106 PolarHBondContact O-N 2.81Å |
| 2107 | Y | 45.4 | Very low | 52.4 | Low | 151 Ų | 151 | 114.4 Ų | 114.4 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | I | π-helix | trans | -120.2 | -14.7 | -167.7 | -69.3 | -59.4 | 0 | 0 | 0 | 118.2 | Y2103 | Y2103-Y2107 HydrophobicContact CE1-CD2 4.41Å; Y2103-Y2107 PolarHBondContact O-N 2.66Å |
| 2108 | R | 48.6 | Very low | 54.1 | Low | 215 Ų | 215 | 113.5 Ų | 113.5 | 81% | 0.811 | 52% | 0.523 | S | S | * | . | I | π-helix | trans | -132.5 | -45.1 | 171.1 | -79.3 | -170.1 | 172.1 | -178.2 | -1.9 | 114.5 | L2104 K2110 | L2104-R2108 PolarHBondContact O-N 2.9Å; R2108-K2110 VanDerWaalsContact C-N 3.34Å; R2108-K2110 PolarHBondContact O-N 3.48Å |
| 2109 | L | 48.2 | Very low | 55.8 | Low | 58 Ų | 58 | 112.2 Ų | 112.2 | 30% | 0.304 | 52% | 0.516 | S | S | . | . | I | π-helix | trans | -76.9 | -12.8 | -173.9 | -73.6 | 174.5 | 0 | 0 | 0 | 114.6 | L2104 W2111 I2112 L2113 | L2104-L2109 HydrophobicContact CB-CD1 4.15Å; L2104-L2109 PolarHBondContact O-N 3.38Å; L2109-W2111 VanDerWaalsContact C-N 3.33Å; L2109-W2111 PolarHBondContact O-N 3.27Å; L2109-I2112 HydrophobicContact CD2-CB 4.24Å; L2109-I2112 HydrophobicContact CD2-CD1 4.17Å; L2109-I2112 HydrophobicContact CD2-CG2 4.29Å; L2109-I2112 PolarHBondContact O-N 2.93Å; L2109-L2113 HydrophobicContact CB-CD1 3.99Å; L2109-L2113 HydrophobicContact CB-CG 4.33Å; L2109-L2113 PolarHBondContact O-N 3.29Å |
| 2110 | K | 46.5 | Very low | 57.5 | Low | 125 Ų | 125 | 114.9 Ų | 114.9 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -48.7 | -49.9 | -176.9 | -158.6 | 178.9 | -179.3 | -175.7 | 0 | 113.4 | V2105 R2108 I2114 | V2105-K2110 VanDerWaalsContact O-CB 3.31Å; V2105-K2110 WeakPolarHBondContact O-CB 3.39Å; V2105-K2110 PolarHBondContact O-N 3.36Å; R2108-K2110 VanDerWaalsContact C-N 3.34Å; R2108-K2110 PolarHBondContact O-N 3.48Å; K2110-I2114 HydrophobicContact CG-CD1 4.13Å; K2110-I2114 WeakPolarHBondContact O-CB 3.29Å; K2110-I2114 WeakPolarHBondContact O-CD1 3.22Å; K2110-I2114 WeakPolarHBondContact O-CG1 3.35Å; K2110-I2114 PolarHBondContact O-N 3.11Å; K2110-I2114 VanDerWaalsContact O-N 3.08Å |
| 2111 | W | 53.7 | Low | 59.1 | Low | 195 Ų | 195 | 116.4 Ų | 116.4 | 74% | 0.739 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.8 | -27.5 | -179.3 | -70.2 | 111.9 | 0 | 0 | 0 | 113.7 | L2109 K2115 | L2109-W2111 VanDerWaalsContact C-N 3.33Å; L2109-W2111 PolarHBondContact O-N 3.27Å; W2111-K2115 WeakPolarHBondContact O-CB 3.43Å; W2111-K2115 WeakPolarHBondContact O-CG 3.49Å; W2111-K2115 PolarHBondContact O-N 3.41Å; W2111-K2115 VanDerWaalsContact O-N 3.12Å |
| 2112 | I | 60.4 | Low | 61.1 | Low | 92 Ų | 92 | 115.8 Ų | 115.8 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -76.4 | -47.1 | 178.6 | -67 | 170.3 | 0 | 0 | 0 | 109.8 | L2109 I2114 K2115 I2116 | L2109-I2112 HydrophobicContact CD2-CB 4.24Å; L2109-I2112 HydrophobicContact CD2-CD1 4.17Å; L2109-I2112 HydrophobicContact CD2-CG2 4.29Å; L2109-I2112 PolarHBondContact O-N 2.93Å; I2112-I2114 PolarHBondContact O-N 3.07Å; I2112-K2115 PolarHBondContact O-N 2.84Å; I2112-K2115 VanDerWaalsContact O-N 3.17Å; I2112-I2116 HydrophobicContact CG2-CD1 3.82Å; I2112-I2116 WeakPolarHBondContact O-CG1 3.25Å; I2112-I2116 PolarHBondContact O-N 3.42Å |
| 2113 | L | 56.9 | Low | 62.8 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 41% | 0.408 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.9 | -75.5 | 167.5 | 0 | 0 | 0 | 112.2 | V2105 L2109 I2116 L2117 | V2105-L2113 HydrophobicContact CB-CD1 4.49Å; V2105-L2113 HydrophobicContact CG1-CD1 4.2Å; V2105-L2113 HydrophobicContact CG2-CD1 3.64Å; L2109-L2113 HydrophobicContact CB-CD1 3.99Å; L2109-L2113 HydrophobicContact CB-CG 4.33Å; L2109-L2113 PolarHBondContact O-N 3.29Å; L2113-I2116 PolarHBondContact O-N 2.95Å; L2113-L2117 VanDerWaalsContact O-CB 3.24Å; L2113-L2117 WeakPolarHBondContact O-CB 3.23Å; L2113-L2117 PolarHBondContact O-N 2.75Å |
| 2114 | I | 66.3 | Low | 64.5 | Low | 77 Ų | 77 | 106.9 Ų | 106.9 | 40% | 0.395 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 172.4 | -72.1 | 167.7 | 0 | 0 | 0 | 110.9 | K2110 I2112 L2117 V2118 | K2110-I2114 HydrophobicContact CG-CD1 4.13Å; K2110-I2114 WeakPolarHBondContact O-CB 3.29Å; K2110-I2114 WeakPolarHBondContact O-CD1 3.22Å; K2110-I2114 WeakPolarHBondContact O-CG1 3.35Å; K2110-I2114 PolarHBondContact O-N 3.11Å; K2110-I2114 VanDerWaalsContact O-N 3.08Å; I2112-I2114 PolarHBondContact O-N 3.07Å; I2114-L2117 PolarHBondContact O-N 3.28Å; I2114-V2118 HydrophobicContact CG2-CG2 4.43Å; I2114-V2118 WeakPolarHBondContact O-CB 3.41Å; I2114-V2118 VanDerWaalsContact O-CG2 3.27Å; I2114-V2118 WeakPolarHBondContact O-CG2 3.47Å; I2114-V2118 PolarHBondContact O-N 2.85Å |
| 2115 | K | 69.3 | Low | 66.1 | Low | 146 Ų | 146 | 107.4 Ų | 107.4 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 175.2 | -79.3 | -179.8 | 177.3 | -173.3 | 0 | 112.4 | W2111 I2112 V2118 I2119 | W2111-K2115 WeakPolarHBondContact O-CB 3.43Å; W2111-K2115 WeakPolarHBondContact O-CG 3.49Å; W2111-K2115 PolarHBondContact O-N 3.41Å; W2111-K2115 VanDerWaalsContact O-N 3.12Å; I2112-K2115 PolarHBondContact O-N 2.84Å; I2112-K2115 VanDerWaalsContact O-N 3.17Å; K2115-V2118 PolarHBondContact O-N 2.69Å; K2115-I2119 WeakPolarHBondContact O-CB 3.35Å; K2115-I2119 VanDerWaalsContact O-CG1 3.26Å; K2115-I2119 WeakPolarHBondContact O-CG1 3.29Å; K2115-I2119 PolarHBondContact O-N 2.95Å |
| 2116 | I | 76.9 | Confident | 67.3 | Low | 99 Ų | 99 | 109 Ų | 109 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.8 | -67.6 | 167.1 | 0 | 0 | 0 | 110.5 | I2112 L2113 V2118 I2119 F2120 | I2112-I2116 HydrophobicContact CG2-CD1 3.82Å; I2112-I2116 WeakPolarHBondContact O-CG1 3.25Å; I2112-I2116 PolarHBondContact O-N 3.42Å; L2113-I2116 PolarHBondContact O-N 2.95Å; I2116-V2118 PolarHBondContact O-N 2.9Å; I2116-I2119 PolarHBondContact O-N 2.76Å; I2116-F2120 VanDerWaalsContact O-CB 3.29Å; I2116-F2120 WeakPolarHBondContact O-CB 3.48Å; I2116-F2120 PolarHBondContact O-N 3.06Å |
| 2117 | L | 72.6 | Confident | 68.7 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 176.9 | -167.1 | 85.8 | 0 | 0 | 0 | 111.8 | L2113 I2114 F2120 L2121 | L2113-L2117 VanDerWaalsContact O-CB 3.24Å; L2113-L2117 WeakPolarHBondContact O-CB 3.23Å; L2113-L2117 PolarHBondContact O-N 2.75Å; I2114-L2117 PolarHBondContact O-N 3.28Å; L2117-F2120 PolarHBondContact O-N 2.99Å; L2117-L2121 HydrophobicContact CD2-CD1 4.46Å; L2117-L2121 HydrophobicContact CG-CD1 4.31Å; L2117-L2121 WeakPolarHBondContact O-CB 3.14Å; L2117-L2121 PolarHBondContact O-N 2.92Å |
| 2118 | V | 79.6 | Confident | 70.1 | Confident | 80 Ų | 80 | 106.2 Ų | 106.2 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.8 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | I2114 K2115 I2116 L2121 V2122 | I2114-V2118 HydrophobicContact CG2-CG2 4.43Å; I2114-V2118 WeakPolarHBondContact O-CB 3.41Å; I2114-V2118 VanDerWaalsContact O-CG2 3.27Å; I2114-V2118 WeakPolarHBondContact O-CG2 3.47Å; I2114-V2118 PolarHBondContact O-N 2.85Å; K2115-V2118 PolarHBondContact O-N 2.69Å; I2116-V2118 PolarHBondContact O-N 2.9Å; V2118-L2121 PolarHBondContact O-N 2.77Å; V2118-V2122 WeakPolarHBondContact O-CG2 3.29Å; V2118-V2122 PolarHBondContact O-N 2.84Å |
| 2119 | I | 80.5 | Confident | 71.2 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.2 | -69.2 | 164.1 | 0 | 0 | 0 | 110.3 | K2115 I2116 V2122 C2123 | K2115-I2119 WeakPolarHBondContact O-CB 3.35Å; K2115-I2119 VanDerWaalsContact O-CG1 3.26Å; K2115-I2119 WeakPolarHBondContact O-CG1 3.29Å; K2115-I2119 PolarHBondContact O-N 2.95Å; I2116-I2119 PolarHBondContact O-N 2.76Å; I2119-V2122 PolarHBondContact O-N 2.97Å; I2119-C2123 WeakPolarHBondContact O-CB 3.27Å; I2119-C2123 PolarHBondContact O-N 3.33Å; I2119-C2123 PolarHBondContact O-SG 3.27Å; I2119-C2123 VanDerWaalsContact O-SG 3.33Å |
| 2120 | F | 79.9 | Confident | 72 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 176.8 | -176.1 | -98.1 | 0 | 0 | 0 | 111.9 | I2116 L2117 C2123 L2124 | I2116-F2120 VanDerWaalsContact O-CB 3.29Å; I2116-F2120 WeakPolarHBondContact O-CB 3.48Å; I2116-F2120 PolarHBondContact O-N 3.06Å; L2117-F2120 PolarHBondContact O-N 2.99Å; F2120-C2123 PolarHBondContact O-N 2.91Å; F2120-L2124 HydrophobicContact CD1-CD1 4.45Å; F2120-L2124 HydrophobicContact CE1-CD1 3.65Å; F2120-L2124 HydrophobicContact CZ-CD1 3.95Å; F2120-L2124 WeakPolarHBondContact O-CB 3.21Å; F2120-L2124 PolarHBondContact O-N 3.13Å |
| 2121 | L | 80.1 | Confident | 73.1 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 44% | 0.44 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 173.8 | -89.9 | 162.1 | 0 | 0 | 0 | 112.2 | L2117 V2118 L2124 I2125 | L2117-L2121 HydrophobicContact CD2-CD1 4.46Å; L2117-L2121 HydrophobicContact CG-CD1 4.31Å; L2117-L2121 WeakPolarHBondContact O-CB 3.14Å; L2117-L2121 PolarHBondContact O-N 2.92Å; V2118-L2121 PolarHBondContact O-N 2.77Å; L2121-L2124 PolarHBondContact O-N 3.45Å; L2121-I2125 VanDerWaalsContact O-CB 3.3Å; L2121-I2125 WeakPolarHBondContact O-CB 3.49Å; L2121-I2125 WeakPolarHBondContact O-CD1 3.44Å; L2121-I2125 WeakPolarHBondContact O-CG1 3.06Å; L2121-I2125 PolarHBondContact O-N 2.83Å |
| 2122 | V | 82.3 | Confident | 73.7 | Confident | 82 Ų | 82 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | V2118 I2119 L2124 I2125 V2126 | V2118-V2122 WeakPolarHBondContact O-CG2 3.29Å; V2118-V2122 PolarHBondContact O-N 2.84Å; I2119-V2122 PolarHBondContact O-N 2.97Å; V2122-L2124 VanDerWaalsContact C-N 3.33Å; V2122-L2124 PolarHBondContact O-N 3.01Å; V2122-I2125 PolarHBondContact O-N 3.19Å; V2122-V2126 WeakPolarHBondContact O-CB 3.43Å; V2122-V2126 WeakPolarHBondContact O-CG2 3.31Å; V2122-V2126 PolarHBondContact O-N 2.82Å |
| 2123 | C | 80.6 | Confident | 73.9 | Confident | 77 Ų | 77 | 100 Ų | 100 | 52% | 0.52 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | I2119 F2120 V2126 F2127 | I2119-C2123 WeakPolarHBondContact O-CB 3.27Å; I2119-C2123 PolarHBondContact O-N 3.33Å; I2119-C2123 PolarHBondContact O-SG 3.27Å; I2119-C2123 VanDerWaalsContact O-SG 3.33Å; F2120-C2123 PolarHBondContact O-N 2.91Å; C2123-V2126 PolarHBondContact O-N 3.09Å; C2123-F2127 VanDerWaalsContact O-CB 3.32Å; C2123-F2127 WeakPolarHBondContact O-CB 3.47Å; C2123-F2127 PolarHBondContact O-N 3.28Å |
| 2124 | L | 79.6 | Confident | 73.7 | Confident | 69 Ų | 69 | 99.9 Ų | 99.9 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.1 | -35.6 | 179 | -168.4 | 150.4 | 0 | 0 | 0 | 111.8 | F2120 L2121 V2122 F2127 L2128 | F2120-L2124 HydrophobicContact CD1-CD1 4.45Å; F2120-L2124 HydrophobicContact CE1-CD1 3.65Å; F2120-L2124 HydrophobicContact CZ-CD1 3.95Å; F2120-L2124 WeakPolarHBondContact O-CB 3.21Å; F2120-L2124 PolarHBondContact O-N 3.13Å; L2121-L2124 PolarHBondContact O-N 3.45Å; V2122-L2124 VanDerWaalsContact C-N 3.33Å; V2122-L2124 PolarHBondContact O-N 3.01Å; L2124-F2127 PolarHBondContact O-N 3.32Å; L2124-L2128 HydrophobicContact CD2-CD1 3.6Å; L2124-L2128 HydrophobicContact CD2-CG 4.1Å; L2124-L2128 VanDerWaalsContact O-CB 3.32Å; L2124-L2128 WeakPolarHBondContact O-CB 3.32Å; L2124-L2128 WeakPolarHBondContact O-CG 3.1Å; L2124-L2128 PolarHBondContact O-N 2.71Å |
| 2125 | I | 81.3 | Confident | 73.4 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 170.6 | -72.8 | 164.2 | 0 | 0 | 0 | 110.7 | L2121 V2122 L2128 F2129 | L2121-I2125 VanDerWaalsContact O-CB 3.3Å; L2121-I2125 WeakPolarHBondContact O-CB 3.49Å; L2121-I2125 WeakPolarHBondContact O-CD1 3.44Å; L2121-I2125 WeakPolarHBondContact O-CG1 3.06Å; L2121-I2125 PolarHBondContact O-N 2.83Å; V2122-I2125 PolarHBondContact O-N 3.19Å; I2125-L2128 PolarHBondContact O-N 2.72Å; I2125-F2129 VanDerWaalsContact O-CB 3.26Å; I2125-F2129 WeakPolarHBondContact O-CB 3.43Å; I2125-F2129 PolarHBondContact O-N 2.8Å |
| 2126 | V | 76.9 | Confident | 73.1 | Confident | 78 Ų | 78 | 95 Ų | 95 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | V2122 C2123 F2129 L2130 | V2122-V2126 WeakPolarHBondContact O-CB 3.43Å; V2122-V2126 WeakPolarHBondContact O-CG2 3.31Å; V2122-V2126 PolarHBondContact O-N 2.82Å; C2123-V2126 PolarHBondContact O-N 3.09Å; V2126-F2129 PolarHBondContact O-N 3.39Å; V2126-L2130 HydrophobicContact CG1-CD1 4.02Å; V2126-L2130 VanDerWaalsContact O-CG 3.3Å; V2126-L2130 WeakPolarHBondContact O-CG 3.41Å; V2126-L2130 PolarHBondContact O-N 2.69Å |
| 2127 | F | 76.7 | Confident | 72.2 | Confident | 140 Ų | 140 | 93.5 Ų | 93.5 | 61% | 0.614 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 176.1 | -173.6 | -92.9 | 0 | 0 | 0 | 111.9 | C2123 L2124 F2129 L2130 Y2131 | C2123-F2127 VanDerWaalsContact O-CB 3.32Å; C2123-F2127 WeakPolarHBondContact O-CB 3.47Å; C2123-F2127 PolarHBondContact O-N 3.28Å; L2124-F2127 PolarHBondContact O-N 3.32Å; F2127-F2129 VanDerWaalsContact C-N 3.31Å; F2127-F2129 PolarHBondContact O-N 2.88Å; F2127-L2130 PolarHBondContact O-N 3.39Å; F2127-Y2131 VanDerWaalsContact O-CB 3.24Å; F2127-Y2131 WeakPolarHBondContact O-CB 3.5Å; F2127-Y2131 PolarHBondContact O-N 3.36Å |
| 2128 | L | 74.3 | Confident | 71.7 | Confident | 90 Ų | 90 | 92.7 Ų | 92.7 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 174.3 | -76.9 | 178.7 | 0 | 0 | 0 | 112.2 | L2124 I2125 Y2131 S2132 | L2124-L2128 HydrophobicContact CD2-CD1 3.6Å; L2124-L2128 HydrophobicContact CD2-CG 4.1Å; L2124-L2128 VanDerWaalsContact O-CB 3.32Å; L2124-L2128 WeakPolarHBondContact O-CB 3.32Å; L2124-L2128 WeakPolarHBondContact O-CG 3.1Å; L2124-L2128 PolarHBondContact O-N 2.71Å; I2125-L2128 PolarHBondContact O-N 2.72Å; L2128-Y2131 PolarHBondContact O-N 3.33Å; L2128-S2132 VanDerWaalsContact O-CB 3.25Å; L2128-S2132 WeakPolarHBondContact O-CB 3.35Å; L2128-S2132 PolarHBondContact O-N 2.82Å; L2128-S2132 PolarHBondContact O-OG 3.37Å |
| 2129 | F | 71.6 | Confident | 70.5 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 177 | -170.8 | -92.7 | 0 | 0 | 0 | 111.5 | I2125 V2126 F2127 Y2131 F2133 | I2125-F2129 VanDerWaalsContact O-CB 3.26Å; I2125-F2129 WeakPolarHBondContact O-CB 3.43Å; I2125-F2129 PolarHBondContact O-N 2.8Å; V2126-F2129 PolarHBondContact O-N 3.39Å; F2127-F2129 VanDerWaalsContact C-N 3.31Å; F2127-F2129 PolarHBondContact O-N 2.88Å; F2129-Y2131 VanDerWaalsContact C-N 3.32Å; F2129-Y2131 PolarHBondContact O-N 3.15Å; F2129-F2133 AromaticContact CD2-CD2 3.58Å; F2129-F2133 HydrophobicContact CD2-CD2 3.58Å; F2129-F2133 AromaticContact CD2-CE2 3.8Å; F2129-F2133 HydrophobicContact CD2-CE2 3.8Å; F2129-F2133 AromaticContact CE2-CD2 3.64Å; F2129-F2133 HydrophobicContact CE2-CD2 3.64Å; F2129-F2133 AromaticContact CE2-CE2 3.84Å; F2129-F2133 HydrophobicContact CE2-CE2 3.84Å; F2129-F2133 HydrophobicContact CE2-CG 4.45Å; F2129-F2133 HydrophobicContact CG-CD2 4.1Å; F2129-F2133 HydrophobicContact CZ-CD2 4.21Å; F2129-F2133 WeakPolarHBondContact O-CB 3.44Å; F2129-F2133 PolarHBondContact O-N 2.81Å |
| 2130 | L | 66.2 | Low | 69.2 | Low | 99 Ų | 99 | 98.4 Ų | 98.4 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 172.9 | -69.7 | 168.4 | 0 | 0 | 0 | 112.1 | V2126 F2127 I2137 | V2126-L2130 HydrophobicContact CG1-CD1 4.02Å; V2126-L2130 VanDerWaalsContact O-CG 3.3Å; V2126-L2130 WeakPolarHBondContact O-CG 3.41Å; V2126-L2130 PolarHBondContact O-N 2.69Å; F2127-L2130 PolarHBondContact O-N 3.39Å; L2130-I2137 HydrophobicContact CD2-CD1 3.86Å |
| 2131 | Y | 69.8 | Low | 67.9 | Low | 173 Ų | 173 | 99.5 Ų | 99.5 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.6 | -35.9 | -179.2 | -177.2 | -98.3 | 0 | 0 | 0 | 113.8 | F2127 L2128 F2129 P2134 | F2127-Y2131 VanDerWaalsContact O-CB 3.24Å; F2127-Y2131 WeakPolarHBondContact O-CB 3.5Å; F2127-Y2131 PolarHBondContact O-N 3.36Å; L2128-Y2131 PolarHBondContact O-N 3.33Å; F2129-Y2131 VanDerWaalsContact C-N 3.32Å; F2129-Y2131 PolarHBondContact O-N 3.15Å; Y2131-P2134 WeakPolarHBondContact O-CD 3.24Å |
| 2132 | S | 66.5 | Low | 66.7 | Low | 70 Ų | 70 | 100.6 Ų | 100.6 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -92.8 | -16.9 | -176.1 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | L2128 | L2128-S2132 VanDerWaalsContact O-CB 3.25Å; L2128-S2132 WeakPolarHBondContact O-CB 3.35Å; L2128-S2132 PolarHBondContact O-N 2.82Å; L2128-S2132 PolarHBondContact O-OG 3.37Å |
| 2133 | F | 63.1 | Low | 64.9 | Low | 93 Ų | 93 | 103.3 Ų | 103.3 | 41% | 0.408 | 54% | 0.544 | S | S | . | . | trans | -117.9 | 40.3 | 177.4 | -63.4 | -76.1 | 0 | 0 | 0 | 116 | F2129 G2135 V2136 I2137 | F2129-F2133 AromaticContact CD2-CD2 3.58Å; F2129-F2133 HydrophobicContact CD2-CD2 3.58Å; F2129-F2133 AromaticContact CD2-CE2 3.8Å; F2129-F2133 HydrophobicContact CD2-CE2 3.8Å; F2129-F2133 AromaticContact CE2-CD2 3.64Å; F2129-F2133 HydrophobicContact CE2-CD2 3.64Å; F2129-F2133 AromaticContact CE2-CE2 3.84Å; F2129-F2133 HydrophobicContact CE2-CE2 3.84Å; F2129-F2133 HydrophobicContact CE2-CG 4.45Å; F2129-F2133 HydrophobicContact CG-CD2 4.1Å; F2129-F2133 HydrophobicContact CZ-CD2 4.21Å; F2129-F2133 WeakPolarHBondContact O-CB 3.44Å; F2129-F2133 PolarHBondContact O-N 2.81Å; F2133-G2135 PolarHBondContact O-N 2.99Å; F2133-V2136 HydrophobicContact CB-CB 4.2Å; F2133-V2136 HydrophobicContact CB-CG2 4.15Å; F2133-V2136 HydrophobicContact CD1-CG2 3.83Å; F2133-V2136 HydrophobicContact CG-CG2 4.41Å; F2133-V2136 PolarHBondContact O-N 3.5Å; F2133-V2136 VanDerWaalsContact O-N 3.08Å; F2133-I2137 PolarHBondContact O-N 2.67Å | ||
| 2134 | P | 54.5 | Low | 62.8 | Low | 76 Ų | 76 | 105.7 Ų | 105.7 | 49% | 0.494 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.3 | -34.6 | 176.6 | 25.7 | -33.9 | 0 | 0 | 0 | 111.8 | Y2131 V2136 I2137 V2138 | Y2131-P2134 WeakPolarHBondContact O-CD 3.24Å; P2134-V2136 PolarHBondContact O-N 3.45Å; P2134-I2137 PolarHBondContact O-N 2.8Å; P2134-V2138 WeakPolarHBondContact O-CG2 3.27Å; P2134-V2138 PolarHBondContact O-N 2.86Å |
| 2135 | G | 59.7 | Low | 62 | Low | 49 Ų | 49 | 107.6 Ų | 107.6 | 51% | 0.505 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F2133 Q2139 | F2133-G2135 PolarHBondContact O-N 2.99Å; G2135-Q2139 WeakPolarHBondContact O-CB 3.3Å; G2135-Q2139 PolarHBondContact O-N 3.19Å |
| 2136 | V | 62 | Low | 61 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -76.5 | -35.7 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | F2133 P2134 K2140 | F2133-V2136 HydrophobicContact CB-CB 4.2Å; F2133-V2136 HydrophobicContact CB-CG2 4.15Å; F2133-V2136 HydrophobicContact CD1-CG2 3.83Å; F2133-V2136 HydrophobicContact CG-CG2 4.41Å; F2133-V2136 PolarHBondContact O-N 3.5Å; F2133-V2136 VanDerWaalsContact O-N 3.08Å; P2134-V2136 PolarHBondContact O-N 3.45Å; V2136-K2140 PolarHBondContact O-N 3.3Å |
| 2137 | I | 58.9 | Low | 60.1 | Low | 68 Ų | 68 | 109.4 Ų | 109.4 | 35% | 0.349 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.8 | -47.1 | 174 | -61.1 | 168.3 | 0 | 0 | 0 | 109.5 | L2130 F2133 P2134 K2140 M2141 | L2130-I2137 HydrophobicContact CD2-CD1 3.86Å; F2133-I2137 PolarHBondContact O-N 2.67Å; P2134-I2137 PolarHBondContact O-N 2.8Å; I2137-K2140 PolarHBondContact O-N 2.89Å; I2137-M2141 PolarHBondContact O-N 2.96Å; I2137-M2141 VanDerWaalsContact O-N 3.11Å |
| 2138 | V | 61.2 | Low | 59.1 | Low | 90 Ų | 90 | 107.6 Ų | 107.6 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -45.1 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.8 | P2134 K2140 M2141 V2142 | P2134-V2138 WeakPolarHBondContact O-CG2 3.27Å; P2134-V2138 PolarHBondContact O-N 2.86Å; V2138-K2140 VanDerWaalsContact C-N 3.29Å; V2138-K2140 PolarHBondContact O-N 3.28Å; V2138-M2141 PolarHBondContact O-N 3.33Å; V2138-V2142 HydrophobicContact CG1-CG2 4.22Å; V2138-V2142 WeakPolarHBondContact O-CG2 3.43Å; V2138-V2142 PolarHBondContact O-N 3.43Å |
| 2139 | Q | 55.6 | Low | 58.2 | Low | 136 Ų | 136 | 108.7 Ų | 108.7 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.9 | -37.2 | 177.2 | -96.3 | -170.7 | -21.3 | 0 | 0 | 113 | G2135 V2142 N2143 | G2135-Q2139 WeakPolarHBondContact O-CB 3.3Å; G2135-Q2139 PolarHBondContact O-N 3.19Å; Q2139-V2142 PolarHBondContact O-N 2.78Å; Q2139-N2143 PolarHBondContact O-N 3.12Å; Q2139-N2143 VanDerWaalsContact O-N 3.14Å |
| 2140 | K | 52.9 | Low | 57.3 | Low | 170 Ų | 170 | 108 Ų | 108 | 74% | 0.739 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.2 | -22.8 | 174.8 | -86.6 | -167.3 | 169.9 | -172.9 | 0 | 114.4 | V2136 I2137 V2138 | V2136-K2140 PolarHBondContact O-N 3.3Å; I2137-K2140 PolarHBondContact O-N 2.89Å; V2138-K2140 VanDerWaalsContact C-N 3.29Å; V2138-K2140 PolarHBondContact O-N 3.28Å |
| 2141 | M | 52 | Low | 56.7 | Low | 152 Ų | 152 | 108.6 Ų | 108.6 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.6 | -15.6 | 173 | -73.4 | -172.4 | 66.9 | 0 | 0 | 114 | I2137 V2138 | I2137-M2141 PolarHBondContact O-N 2.96Å; I2137-M2141 VanDerWaalsContact O-N 3.11Å; V2138-M2141 PolarHBondContact O-N 3.33Å |
| 2142 | V | 56.2 | Low | 55.6 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -97.4 | -28.9 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | V2138 Q2139 | V2138-V2142 HydrophobicContact CG1-CG2 4.22Å; V2138-V2142 WeakPolarHBondContact O-CG2 3.43Å; V2138-V2142 PolarHBondContact O-N 3.43Å; Q2139-V2142 PolarHBondContact O-N 2.78Å |
| 2143 | N | 43.8 | Very low | 54.7 | Low | 139 Ų | 139 | 106.5 Ų | 106.5 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -114.3 | 38.8 | -179 | -68.6 | -1.9 | 0 | 0 | 0 | 113 | Q2139 | Q2139-N2143 PolarHBondContact O-N 3.12Å; Q2139-N2143 VanDerWaalsContact O-N 3.14Å | ||
| 2144 | G | 37.1 | Very low | 54 | Low | 128 Ų | 128 | 107.7 Ų | 107.7 | 100% | 1.32 | 65% | 0.65 | S | S | * | * | trans | -154.1 | 0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 2,144 of 2,144 residues in 2966.1 ms
(Link to these results)