| 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 | 91 | Very high | 96.1 | Very high | 158 Ų | 158 | 34.6 Ų | 34.6 | 78% | 0.778 | 18% | 0.177 | S | C | * | . | 0 | 132.4 | 0 | -176 | 179 | -77.1 | 0 | 0 | 108.5 | C64 V95 | M1-C64 HydrophobicContact CB-CB 4.22Å; M1-C64 HydrophobicContact CG-CB 4.3Å; M1-C64 PolarHBondContact O-N 3.17Å; M1-C64 HydrophobicContact SD-CB 4.48Å; M1-V95 HydrophobicContact CG-CG1 4.33Å; M1-V95 HydrophobicContact SD-CG1 3.62Å | |||
| 2 | L | 95.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 31.8 Ų | 31.8 | 58% | 0.576 | 16% | 0.162 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146.8 | 173 | -62 | 179.7 | 0 | 0 | 0 | 109.1 | Q61 R62 | L2-Q61 HydrophobicContact CD1-CB 4.49Å; L2-R62 CarbonylContact C-O 3.58Å; L2-R62 VanDerWaalsContact CA-O 3.23Å; L2-R62 WeakPolarHBondContact CA-O 3.27Å |
| 3 | T | 95.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159.3 | 178.6 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | Y5 Q61 R62 C64 D93 V95 | T3-Y5 HydrophobicContact CG2-CD2 3.98Å; T3-Y5 HydrophobicContact CG2-CE1 3.96Å; T3-Y5 HydrophobicContact CG2-CE2 3.3Å; T3-Y5 VanDerWaalsContact CG2-OH 3.3Å; T3-Y5 WeakPolarHBondContact CG2-OH 3.26Å; T3-Q61 PolarHBondContact O-N 3.44Å; T3-R62 PolarHBondContact N-O 2.79Å; T3-R62 PolarHBondContact O-N 2.87Å; T3-C64 HydrophobicContact CG2-CB 4.13Å; T3-D93 WeakPolarHBondContact CB-OD1 3.41Å; T3-D93 WeakPolarHBondContact CG2-OD2 3.4Å; T3-D93 PolarHBondContact OG1-OD1 3.34Å; T3-V95 WeakPolarHBondContact OG1-CB 3.26Å; T3-V95 WeakPolarHBondContact OG1-CG2 3.37Å; T3-V95 PolarHBondContact OG1-N 2.81Å; T3-V95 VanDerWaalsContact OG1-N 3.12Å |
| 4 | D | 95.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 38 Ų | 38 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.1 | 169.8 | -65.3 | -10.3 | 0 | 0 | 0 | 108 | F59 A60 Q61 I94 I135 | D4-F59 WeakPolarHBondContact CA-O 3.28Å; D4-A60 WeakPolarHBondContact OD1-CA 3.49Å; D4-Q61 PolarHBondContact OD1-N 2.78Å; D4-I94 HydrophobicContact CB-CB 4.42Å; D4-I94 HydrophobicContact CB-CG1 4.04Å; D4-I94 VanDerWaalsContact O-CG1 3.24Å; D4-I94 WeakPolarHBondContact O-CG1 3.1Å; D4-I94 PolarHBondContact O-N 3.26Å; D4-I94 VanDerWaalsContact O-N 3.14Å; D4-I135 HydrophobicContact CB-CD1 3.76Å |
| 5 | Y | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.3 | 175.5 | -71.2 | -73.8 | 0 | 0 | 0 | 110.5 | T3 M27 W37 V58 F59 R62 C64 C65 V91 S92 D93 | T3-Y5 HydrophobicContact CG2-CD2 3.98Å; T3-Y5 HydrophobicContact CG2-CE1 3.96Å; T3-Y5 HydrophobicContact CG2-CE2 3.3Å; T3-Y5 VanDerWaalsContact CG2-OH 3.3Å; T3-Y5 WeakPolarHBondContact CG2-OH 3.26Å; Y5-M27 HydrophobicContact CD1-CE 4.21Å; Y5-M27 HydrophobicContact CD1-SD 4.46Å; Y5-M27 HydrophobicContact CD2-CE 3.88Å; Y5-M27 HydrophobicContact CE1-CE 4.04Å; Y5-M27 HydrophobicContact CE2-CE 3.67Å; Y5-M27 HydrophobicContact CG-CE 4.14Å; Y5-W37 AromaticContact CD2-CH2 3.59Å; Y5-W37 HydrophobicContact CD2-CH2 3.59Å; Y5-W37 AromaticContact CD2-CZ3 3.91Å; Y5-W37 HydrophobicContact CD2-CZ3 3.91Å; Y5-W37 AromaticContact CE2-CH2 3.94Å; Y5-W37 HydrophobicContact CE2-CH2 3.94Å; Y5-W37 HydrophobicContact CG-CH2 4.41Å; Y5-W37 HydrophobicContact CG-CZ3 4.31Å; Y5-V58 WeakPolarHBondContact O-CA 3.16Å; Y5-F59 PolarHBondContact N-O 3.04Å; Y5-F59 PolarHBondContact O-N 2.76Å; Y5-R62 HydrophobicContact CD2-CB 3.82Å; Y5-R62 HydrophobicContact CD2-CG 4.31Å; Y5-R62 HydrophobicContact CE2-CB 3.91Å; Y5-C64 WeakPolarHBondContact OH-CA 3.29Å; Y5-C65 PolarHBondContact OH-N 2.88Å; Y5-V91 HydrophobicContact CD1-CG1 3.75Å; Y5-V91 HydrophobicContact CE1-CG1 4.33Å; Y5-S92 WeakPolarHBondContact CA-O 3.43Å; Y5-D93 HydrophobicContact CD1-CB 4.16Å; Y5-D93 HydrophobicContact CE1-CB 3.67Å; Y5-D93 WeakPolarHBondContact CE1-OD2 3.39Å; Y5-D93 VanDerWaalsContact CZ-OD2 3.31Å; Y5-D93 PolarHBondContact OH-OD2 3.12Å |
| 6 | L | 96.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.3 | 165.1 | 178.5 | 64.5 | 0 | 0 | 0 | 108.9 | Q56 V58 S92 I135 | L6-Q56 HydrophobicContact CD1-CB 4.09Å; L6-Q56 HydrophobicContact CD1-CG 4.37Å; L6-V58 HydrophobicContact CD1-CG2 3.99Å; L6-S92 PolarHBondContact N-O 2.84Å; L6-S92 PolarHBondContact O-N 2.88Å; L6-I135 HydrophobicContact CB-CG1 4.22Å |
| 7 | I | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.8 | 179.5 | -55.1 | -178.9 | 0 | 0 | 0 | 108.1 | V9 L25 W37 L39 Q56 F57 F59 V89 E90 | I7-V9 HydrophobicContact CG2-CG2 4.01Å; I7-L25 HydrophobicContact CD1-CD1 3.61Å; I7-L25 HydrophobicContact CD1-CD2 3.31Å; I7-L25 HydrophobicContact CD1-CG 4.08Å; I7-W37 HydrophobicContact CD1-CE3 4.11Å; I7-W37 HydrophobicContact CD1-CZ3 4.33Å; I7-L39 HydrophobicContact CD1-CD2 4.34Å; I7-L39 HydrophobicContact CG2-CD2 4.44Å; I7-Q56 CarbonylContact O-C 3.59Å; I7-Q56 VanDerWaalsContact O-CA 3.3Å; I7-Q56 WeakPolarHBondContact O-CA 3.48Å; I7-F57 HydrophobicContact CB-CB 4.4Å; I7-F57 PolarHBondContact N-O 2.79Å; I7-F57 PolarHBondContact O-N 3.11Å; I7-F59 HydrophobicContact CD1-CD2 3.65Å; I7-F59 HydrophobicContact CD1-CE2 3.75Å; I7-F59 HydrophobicContact CG1-CD2 4.27Å; I7-V89 HydrophobicContact CG2-CG1 3.84Å; I7-E90 CarbonylContact C-O 3.46Å; I7-E90 WeakPolarHBondContact CA-O 3.49Å |
| 8 | T | 97.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.8 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | T54 D55 Q56 V89 E90 | T8-T54 HydrophobicContact CG2-CG2 3.33Å; T8-D55 CarbonylContact C-O 3.56Å; T8-D55 WeakPolarHBondContact CA-O 3.38Å; T8-Q56 HydrophobicContact CG2-CG 4.19Å; T8-Q56 PolarHBondContact OG1-NE2 2.91Å; T8-V89 CarbonylContact O-C 3.54Å; T8-V89 WeakPolarHBondContact O-CA 3.4Å; T8-E90 PolarHBondContact N-O 3.46Å; T8-E90 PolarHBondContact O-N 3.28Å |
| 9 | V | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.2 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | I7 L39 F49 T54 D55 F57 W84 L86 V89 | I7-V9 HydrophobicContact CG2-CG2 4.01Å; V9-L39 HydrophobicContact CG2-CD1 3.72Å; V9-F49 HydrophobicContact CB-CE1 4.23Å; V9-F49 HydrophobicContact CG1-CD1 4.16Å; V9-F49 HydrophobicContact CG1-CE1 4.01Å; V9-F49 HydrophobicContact CG2-CE1 4.46Å; V9-T54 CarbonylContact O-C 3.52Å; V9-T54 WeakPolarHBondContact O-CA 3.47Å; V9-D55 PolarHBondContact N-O 2.99Å; V9-D55 PolarHBondContact O-N 3.4Å; V9-F57 HydrophobicContact CB-CE2 4.47Å; V9-F57 HydrophobicContact CG2-CD2 4.33Å; V9-F57 HydrophobicContact CG2-CE2 4.09Å; V9-W84 HydrophobicContact CG1-CH2 3.71Å; V9-W84 HydrophobicContact CG1-CZ2 3.54Å; V9-L86 HydrophobicContact CG1-CD1 3.77Å; V9-V89 HydrophobicContact CG1-CG2 4.43Å; V9-V89 HydrophobicContact CG2-CG1 4.24Å; V9-V89 HydrophobicContact CG2-CG2 4.36Å |
| 10 | K | 97.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.4 | 174.7 | 177.4 | 71.5 | -175.8 | -177.4 | 0 | 110.3 | N52 T54 L86 E87 Y88 | K10-N52 PolarHBondContact NZ-O 3.4Å; K10-N52 PolarHBondContact NZ-OD1 3.11Å; K10-T54 WeakPolarHBondContact CD-OG1 3.3Å; K10-L86 WeakPolarHBondContact O-CD1 3.5Å; K10-E87 HydrophobicContact CB-CB 4.26Å; K10-E87 HydrophobicContact CG-CB 3.83Å; K10-E87 HydrophobicContact CG-CG 4.34Å; K10-E87 WeakPolarHBondContact CG-OE2 3.36Å; K10-E87 WeakPolarHBondContact O-CB 3.49Å; K10-E87 PolarHBondContact O-N 2.97Å; K10-Y88 HydrophobicContact CB-CD1 3.61Å; K10-Y88 HydrophobicContact CB-CD2 4.17Å; K10-Y88 HydrophobicContact CB-CE1 3.29Å; K10-Y88 HydrophobicContact CB-CE2 3.88Å; K10-Y88 HydrophobicContact CB-CG 4.05Å; K10-Y88 VanDerWaalsContact CB-CZ 3.43Å; K10-Y88 HydrophobicContact CD-CE1 4.44Å; K10-Y88 HydrophobicContact CG-CD1 3.95Å; K10-Y88 HydrophobicContact CG-CE1 3.5Å; K10-Y88 VanDerWaalsContact CG-CE1 3.5Å; K10-Y88 PolarHBondContact N-O 3.47Å |
| 11 | T | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.6 | 166 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | A17 F49 E50 N52 K53 W84 | T11-A17 HydrophobicContact CG2-CB 4.13Å; T11-A17 VanDerWaalsContact CG2-O 3.31Å; T11-A17 WeakPolarHBondContact CG2-O 3.41Å; T11-F49 WeakPolarHBondContact OG1-CA 3.23Å; T11-E50 VanDerWaalsContact CB-O 3.27Å; T11-E50 WeakPolarHBondContact CB-O 3.4Å; T11-E50 WeakPolarHBondContact CG2-O 3.5Å; T11-N52 WeakPolarHBondContact O-CA 3.2Å; T11-N52 PolarHBondContact O-N 2.94Å; T11-K53 PolarHBondContact N-O 3.22Å; T11-W84 PolarHBondContact OG1-NE1 3.01Å |
| 12 | G | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -75 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A17 N52 Y85 E87 | G12-A17 WeakPolarHBondContact O-CB 3.19Å; G12-N52 PolarHBondContact O-N 3.2Å; G12-Y85 PolarHBondContact N-O 2.82Å; G12-E87 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 13 | D | 96.7 | Very high | 94.6 | Very high | 76 Ų | 76 | 30.1 Ų | 30.1 | 41% | 0.406 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -102.3 | 36.6 | -171.9 | -165.5 | 16.6 | 0 | 0 | 0 | 113.5 | R51 N52 | D13-R51 IonicContact OD1-CZ 3.19Å; D13-R51 IonicContact OD1-NE 2.7Å; D13-R51 PolarHBondContact OD1-NE 3.23Å; D13-R51 IonicContact OD1-NH2 2.81Å; D13-R51 PolarHBondContact OD1-NH2 2.86Å; D13-N52 HydrophobicContact CB-CB 3.89Å; D13-N52 PolarHBondContact OD2-ND2 3.44Å |
| 14 | L | 94.3 | Very high | 94.6 | Very high | 75 Ų | 75 | 31.8 Ų | 31.8 | 39% | 0.393 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -88.4 | 155.8 | 172.3 | -60 | -174.3 | 0 | 0 | 0 | 111.2 | G16 A17 R51 Y85 W107 | L14-G16 PolarHBondContact O-N 3.02Å; L14-A17 HydrophobicContact CB-CB 4.24Å; L14-A17 WeakPolarHBondContact O-CB 3.44Å; L14-A17 PolarHBondContact O-N 3.37Å; L14-R51 VanDerWaalsContact O-CD 3.32Å; L14-R51 WeakPolarHBondContact O-CD 3.22Å; L14-Y85 HydrophobicContact CD1-CD1 4.1Å; L14-Y85 HydrophobicContact CD1-CD2 3.57Å; L14-Y85 HydrophobicContact CD1-CE1 4.06Å; L14-Y85 HydrophobicContact CD1-CE2 3.52Å; L14-Y85 HydrophobicContact CD1-CG 3.85Å; L14-Y85 HydrophobicContact CG-CD1 4.13Å; L14-Y85 HydrophobicContact CG-CD2 4.45Å; L14-Y85 HydrophobicContact CG-CE1 4.16Å; L14-Y85 HydrophobicContact CG-CE2 4.48Å; L14-Y85 HydrophobicContact CG-CG 4.27Å; L14-W107 HydrophobicContact CB-CZ2 4.05Å; L14-W107 HydrophobicContact CD1-CZ2 4.11Å |
| 15 | L | 91.4 | Very high | 94.7 | Very high | 154 Ų | 154 | 29.2 Ų | 29.2 | 81% | 0.806 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 126.1 | 173.8 | -178.8 | 65.6 | 0 | 0 | 0 | 109.8 | A17 | L15-A17 VanDerWaalsContact C-N 3.26Å; L15-A17 PolarHBondContact O-N 2.83Å |
| 16 | G | 89.8 | Confident | 94.7 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 50% | 0.495 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 20.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L14 G18 W107 | L14-G16 PolarHBondContact O-N 3.02Å; G16-G18 PolarHBondContact O-N 2.85Å; G16-W107 WeakPolarHBondContact O-CH2 3.42Å; G16-W107 WeakPolarHBondContact O-CZ3 3.17Å |
| 17 | A | 93.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -65.1 | -20.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T11 G12 L14 L15 R51 Y85 | T11-A17 HydrophobicContact CG2-CB 4.13Å; T11-A17 VanDerWaalsContact CG2-O 3.31Å; T11-A17 WeakPolarHBondContact CG2-O 3.41Å; G12-A17 WeakPolarHBondContact O-CB 3.19Å; L14-A17 HydrophobicContact CB-CB 4.24Å; L14-A17 WeakPolarHBondContact O-CB 3.44Å; L14-A17 PolarHBondContact O-N 3.37Å; L15-A17 VanDerWaalsContact C-N 3.26Å; L15-A17 PolarHBondContact O-N 2.83Å; A17-R51 HydrophobicContact CB-CB 4.41Å; A17-R51 HydrophobicContact CB-CG 4.3Å; A17-Y85 PolarHBondContact O-N 2.84Å | ||
| 18 | G | 92.5 | Very high | 94.8 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | trans | -79.8 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G16 F49 S83 | G16-G18 PolarHBondContact O-N 2.85Å; G18-F49 CarbonylContact C-O 3.56Å; G18-F49 WeakPolarHBondContact CA-O 3.15Å; G18-S83 VanDerWaalsContact O-O 3.1Å | ||
| 19 | T | 92 | Very high | 94.8 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | trans | -145.5 | 144.6 | 178.7 | -167.4 | 0 | 0 | 0 | 0 | 113 | S21 V23 F49 W81 W84 | T19-S21 WeakPolarHBondContact OG1-CB 3.48Å; T19-S21 PolarHBondContact OG1-N 2.83Å; T19-S21 VanDerWaalsContact OG1-N 3.14Å; T19-S21 PolarHBondContact OG1-OG 3.26Å; T19-V23 HydrophobicContact CG2-CG2 4.4Å; T19-F49 HydrophobicContact CG2-CB 3.86Å; T19-F49 HydrophobicContact CG2-CD2 4.35Å; T19-F49 HydrophobicContact CG2-CG 4.39Å; T19-F49 PolarHBondContact N-O 3.35Å; T19-F49 VanDerWaalsContact N-O 3.14Å; T19-W81 PolarHBondContact OG1-O 2.65Å; T19-W84 HydrophobicContact CG2-CB 3.73Å; T19-W84 HydrophobicContact CG2-CD2 4.02Å; T19-W84 HydrophobicContact CG2-CG 3.51Å | ||
| 20 | D | 89.3 | Confident | 94.8 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | trans | -93.8 | -3.2 | 169.6 | -62.8 | -47.3 | 0 | 0 | 0 | 112.5 | ||||
| 21 | S | 91.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -64.8 | 151.9 | -179.5 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | T19 V23 H75 T78 S82 | T19-S21 WeakPolarHBondContact OG1-CB 3.48Å; T19-S21 PolarHBondContact OG1-N 2.83Å; T19-S21 VanDerWaalsContact OG1-N 3.14Å; T19-S21 PolarHBondContact OG1-OG 3.26Å; S21-V23 PolarHBondContact O-N 3.04Å; S21-H75 PolarHBondContact OG-ND1 2.63Å; S21-T78 WeakPolarHBondContact CA-O 3.15Å; S21-T78 PolarHBondContact OG-N 2.96Å; S21-T78 PolarHBondContact OG-O 2.77Å; S21-S82 WeakPolarHBondContact OG-CB 3.39Å |
| 22 | N | 93 | Very high | 94.6 | Very high | 53 Ų | 53 | 47.6 Ų | 47.6 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -72 | 127.2 | 168.3 | -62.9 | -65.7 | 0 | 0 | 0 | 109.4 | Y24 Q38 H75 D76 | N22-Y24 HydrophobicContact CB-CE2 3.56Å; N22-Y24 WeakPolarHBondContact O-CD2 3.44Å; N22-Y24 WeakPolarHBondContact O-CE2 3.38Å; N22-Q38 PolarHBondContact OD1-NE2 3.12Å; N22-Q38 VanDerWaalsContact OD1-NE2 3.09Å; N22-H75 WeakPolarHBondContact O-CA 3.43Å; N22-H75 WeakPolarHBondContact O-CB 3.27Å; N22-D76 VanDerWaalsContact CB-OD2 3.3Å; N22-D76 WeakPolarHBondContact CB-OD2 2.85Å; N22-D76 PolarHBondContact N-OD1 2.97Å; N22-D76 PolarHBondContact ND2-OD2 3.09Å; N22-D76 PolarHBondContact O-N 3.24Å |
| 23 | V | 95 | Very high | 94.6 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 139.3 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 110 | T19 S21 L39 F49 V73 R74 H75 W84 | T19-V23 HydrophobicContact CG2-CG2 4.4Å; S21-V23 PolarHBondContact O-N 3.04Å; V23-L39 HydrophobicContact CG1-CD1 4.02Å; V23-L39 PolarHBondContact O-N 2.74Å; V23-F49 HydrophobicContact CB-CD2 4.45Å; V23-F49 HydrophobicContact CB-CE2 3.68Å; V23-F49 HydrophobicContact CB-CZ 3.75Å; V23-F49 HydrophobicContact CG1-CZ 4.32Å; V23-F49 HydrophobicContact CG2-CD2 3.77Å; V23-F49 HydrophobicContact CG2-CE2 3.49Å; V23-F49 VanDerWaalsContact CG2-CE2 3.49Å; V23-F49 HydrophobicContact CG2-CG 4.38Å; V23-F49 HydrophobicContact CG2-CZ 3.91Å; V23-V73 HydrophobicContact CG1-CG1 4.07Å; V23-R74 CarbonylContact C-O 3.37Å; V23-R74 WeakPolarHBondContact CA-O 3.33Å; V23-H75 HydrophobicContact CG2-CB 4.36Å; V23-W84 HydrophobicContact CG1-CH2 4.03Å; V23-W84 HydrophobicContact CG1-CZ3 3.87Å; V23-W84 HydrophobicContact CG2-CE3 4.33Å; V23-W84 HydrophobicContact CG2-CH2 4.35Å; V23-W84 HydrophobicContact CG2-CZ3 4.09Å |
| 24 | Y | 96.5 | Very high | 94.6 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.7 | -178 | -55.8 | -99.2 | 0 | 0 | 0 | 109.5 | N22 E36 W37 Q38 V73 R74 D76 | N22-Y24 HydrophobicContact CB-CE2 3.56Å; N22-Y24 WeakPolarHBondContact O-CD2 3.44Å; N22-Y24 WeakPolarHBondContact O-CE2 3.38Å; Y24-E36 VanDerWaalsContact CB-CD 3.48Å; Y24-E36 HydrophobicContact CD1-CG 4.08Å; Y24-E36 VanDerWaalsContact CD1-OE1 3.22Å; Y24-E36 WeakPolarHBondContact CD1-OE1 3.38Å; Y24-E36 HydrophobicContact CG-CG 4.24Å; Y24-W37 CarbonylContact C-O 3.54Å; Y24-W37 VanDerWaalsContact CA-O 3.26Å; Y24-W37 WeakPolarHBondContact CA-O 3.45Å; Y24-Q38 HydrophobicContact CD1-CB 3.75Å; Y24-Q38 HydrophobicContact CD1-CG 3.99Å; Y24-Q38 HydrophobicContact CE1-CB 3.72Å; Y24-Q38 HydrophobicContact CE1-CG 3.67Å; Y24-V73 WeakPolarHBondContact O-CA 3.45Å; Y24-R74 VanDerWaalsContact CD2-CZ 3.48Å; Y24-R74 VanDerWaalsContact CG-NH2 3.27Å; Y24-R74 PolarHBondContact N-O 2.85Å; Y24-R74 PolarHBondContact O-N 2.86Å; Y24-D76 HydrophobicContact CE2-CB 4.18Å |
| 25 | L | 97 | Very high | 94.7 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.4 | 172.8 | 80.6 | 123.2 | 0 | 0 | 0 | 112.1 | I7 M27 E36 W37 L39 F59 L71 N72 | I7-L25 HydrophobicContact CD1-CD1 3.61Å; I7-L25 HydrophobicContact CD1-CD2 3.31Å; I7-L25 HydrophobicContact CD1-CG 4.08Å; L25-M27 HydrophobicContact CD1-CG 3.42Å; L25-M27 VanDerWaalsContact CD1-CG 3.42Å; L25-M27 HydrophobicContact CD1-SD 3.97Å; L25-E36 CarbonylContact O-C 3.58Å; L25-E36 VanDerWaalsContact O-CA 3.31Å; L25-E36 WeakPolarHBondContact O-CA 3.18Å; L25-W37 HydrophobicContact CD1-CE3 4.09Å; L25-W37 HydrophobicContact CD2-CB 4.01Å; L25-W37 HydrophobicContact CD2-CE3 4.39Å; L25-W37 HydrophobicContact CG-CB 4.17Å; L25-W37 HydrophobicContact CG-CE3 4.39Å; L25-W37 PolarHBondContact N-O 2.69Å; L25-W37 PolarHBondContact O-N 3.29Å; L25-L39 HydrophobicContact CD2-CD1 4.25Å; L25-L39 HydrophobicContact CD2-CD2 3.22Å; L25-L39 HydrophobicContact CD2-CG 3.74Å; L25-F59 HydrophobicContact CD2-CE2 4.37Å; L25-L71 HydrophobicContact CB-CD1 4.28Å; L25-L71 HydrophobicContact CD1-CD1 3.68Å; L25-N72 CarbonylContact C-O 3.49Å; L25-N72 WeakPolarHBondContact CA-O 3.4Å |
| 26 | R | 97.7 | Very high | 94.9 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 34% | 0.34 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128.2 | 166.4 | -168.2 | -178.6 | -171.6 | -155.8 | -8.4 | 109 | E33 S34 N72 | R26-E33 HydrophobicContact CG-CG 4.38Å; R26-E33 IonicContact CZ-OE1 2.74Å; R26-E33 IonicContact CZ-OE2 3.2Å; R26-E33 IonicContact NE-OE1 2.69Å; R26-E33 PolarHBondContact NE-OE1 2.84Å; R26-E33 IonicContact NH1-OE1 3.13Å; R26-E33 PolarHBondContact NH1-OE1 2.9Å; R26-E33 IonicContact NH1-OE2 2.86Å; R26-E33 IonicContact NH2-OE1 3.3Å; R26-E33 PolarHBondContact NH2-OE1 3.43Å; R26-E33 IonicContact NH2-OE2 3.23Å; R26-E33 PolarHBondContact NH2-OE2 2.89Å; R26-S34 WeakPolarHBondContact CG-O 3.31Å; R26-S34 PolarHBondContact NE-O 2.83Å; R26-N72 HydrophobicContact CB-CB 4.19Å; R26-N72 PolarHBondContact N-O 2.76Å; R26-N72 PolarHBondContact O-N 3.02Å |
| 27 | M | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.8 | -176.5 | -53.3 | -171.6 | -52.6 | 0 | 0 | 109.9 | Y5 L25 E33 S34 W37 L68 L71 V91 | Y5-M27 HydrophobicContact CD1-CE 4.21Å; Y5-M27 HydrophobicContact CD1-SD 4.46Å; Y5-M27 HydrophobicContact CD2-CE 3.88Å; Y5-M27 HydrophobicContact CE1-CE 4.04Å; Y5-M27 HydrophobicContact CE2-CE 3.67Å; Y5-M27 HydrophobicContact CG-CE 4.14Å; L25-M27 HydrophobicContact CD1-CG 3.42Å; L25-M27 VanDerWaalsContact CD1-CG 3.42Å; L25-M27 HydrophobicContact CD1-SD 3.97Å; M27-E33 CarbonylContact O-C 3.51Å; M27-E33 WeakPolarHBondContact O-CA 3.48Å; M27-S34 PolarHBondContact N-OG 2.95Å; M27-S34 PolarHBondContact O-N 3.42Å; M27-W37 HydrophobicContact CE-CE3 4.35Å; M27-W37 HydrophobicContact CE-CH2 3.17Å; M27-W37 HydrophobicContact CE-CZ2 4.16Å; M27-W37 HydrophobicContact CE-CZ3 3.29Å; M27-W37 HydrophobicContact SD-CH2 4.32Å; M27-W37 HydrophobicContact SD-CZ3 3.84Å; M27-L68 HydrophobicContact CB-CD2 4.03Å; M27-L68 HydrophobicContact SD-CD1 4.14Å; M27-L71 HydrophobicContact CB-CD1 4.48Å; M27-L71 HydrophobicContact CG-CD1 3.77Å; M27-V91 HydrophobicContact SD-CG1 3.64Å; M27-V91 HydrophobicContact SD-CG2 4.36Å |
| 28 | I | 97.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.1 | 176.5 | -56.9 | 163 | 0 | 0 | 0 | 107 | E33 R69 K70 | I28-E33 HydrophobicContact CG1-CG 3.86Å; I28-E33 WeakPolarHBondContact CG1-OE1 3.22Å; I28-R69 PolarHBondContact O-N 2.92Å; I28-K70 HydrophobicContact CB-CB 4.12Å; I28-K70 HydrophobicContact CD1-CB 4.06Å; I28-K70 HydrophobicContact CD1-CD 4.47Å; I28-K70 PolarHBondContact N-O 3.49Å; I28-K70 PolarHBondContact O-N 2.84Å; I28-K70 VanDerWaalsContact O-N 3.11Å |
| 29 | G | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 49 Ų | 49 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 178 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D31 F32 C65 R67 | G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 2.94Å; G29-F32 PolarHBondContact N-O 3.13Å; G29-F32 VanDerWaalsContact N-O 3.11Å; G29-C65 CarbonylContact C-O 3.38Å; G29-C65 VanDerWaalsContact CA-O 3.26Å; G29-C65 WeakPolarHBondContact CA-O 3.15Å; G29-R67 CarbonylContact C-O 3.55Å; G29-R67 WeakPolarHBondContact CA-O 3.45Å |
| 30 | D | 96.5 | Very high | 95.8 | Very high | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -65.4 | -31.5 | -177.5 | -71.7 | -14 | 0 | 0 | 0 | 112.6 | C65 R67 R69 | D30-C65 PolarHBondContact N-O 3.25Å; D30-R67 PolarHBondContact N-O 2.79Å; D30-R69 VanDerWaalsContact CG-NE 3.34Å; D30-R69 WeakPolarHBondContact OD1-CG 3.26Å; D30-R69 IonicContact OD1-CZ 3.41Å; D30-R69 IonicContact OD1-NE 2.76Å; D30-R69 PolarHBondContact OD1-NE 2.9Å; D30-R69 IonicContact OD1-NH2 3.34Å; D30-R69 IonicContact OD2-CZ 3.71Å; D30-R69 IonicContact OD2-NE 3.68Å; D30-R69 PolarHBondContact OD2-NE 2.99Å; D30-R69 VanDerWaalsContact OD2-NE 3.12Å; D30-R69 IonicContact OD2-NH2 2.87Å; D30-R69 PolarHBondContact OD2-NH2 2.84Å |
| 31 | D | 95.9 | Very high | 96 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 69% | 0.69 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -99.8 | -31.1 | -174.3 | -60.7 | -35.1 | 0 | 0 | 0 | 113.1 | G29 C65 G66 | G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 2.94Å; D31-C65 PolarHBondContact N-O 2.82Å; D31-C65 VanDerWaalsContact N-O 3.17Å; D31-G66 VanDerWaalsContact OD2-CA 3.28Å; D31-G66 WeakPolarHBondContact OD2-CA 3.24Å |
| 32 | F | 95.7 | Very high | 96.1 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 30% | 0.303 | 28% | 0.28 | S | S | . | . | trans | -157.3 | 148.4 | -174.1 | -178.7 | -110.2 | 0 | 0 | 0 | 112.3 | G29 K63 C65 | G29-F32 PolarHBondContact N-O 3.13Å; G29-F32 VanDerWaalsContact N-O 3.11Å; F32-K63 HydrophobicContact CD1-CB 4.18Å; F32-K63 HydrophobicContact CD1-CD 3.84Å; F32-K63 HydrophobicContact CD1-CG 4.08Å; F32-K63 HydrophobicContact CD2-CD 4.01Å; F32-K63 HydrophobicContact CE1-CB 4.04Å; F32-K63 HydrophobicContact CE1-CD 3.82Å; F32-K63 HydrophobicContact CE1-CG 4.27Å; F32-K63 HydrophobicContact CE2-CD 3.99Å; F32-K63 HydrophobicContact CG-CD 3.93Å; F32-K63 HydrophobicContact CG-CG 4.45Å; F32-K63 HydrophobicContact CZ-CD 3.9Å; F32-C65 PolarHBondContact N-O 3.38Å; F32-C65 WeakPolarHBondContact O-CB 3.48Å | ||
| 33 | E | 96.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -103.9 | 125.9 | 168.7 | -179.3 | 175.6 | -158.1 | 0 | 0 | 109.1 | R26 M27 I28 | R26-E33 HydrophobicContact CG-CG 4.38Å; R26-E33 IonicContact CZ-OE1 2.74Å; R26-E33 IonicContact CZ-OE2 3.2Å; R26-E33 IonicContact NE-OE1 2.69Å; R26-E33 PolarHBondContact NE-OE1 2.84Å; R26-E33 IonicContact NH1-OE1 3.13Å; R26-E33 PolarHBondContact NH1-OE1 2.9Å; R26-E33 IonicContact NH1-OE2 2.86Å; R26-E33 IonicContact NH2-OE1 3.3Å; R26-E33 PolarHBondContact NH2-OE1 3.43Å; R26-E33 IonicContact NH2-OE2 3.23Å; R26-E33 PolarHBondContact NH2-OE2 2.89Å; M27-E33 CarbonylContact O-C 3.51Å; M27-E33 WeakPolarHBondContact O-CA 3.48Å; I28-E33 HydrophobicContact CG1-CG 3.86Å; I28-E33 WeakPolarHBondContact CG1-OE1 3.22Å |
| 34 | S | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 164.9 | -179 | 79.7 | 0 | 0 | 0 | 0 | 112.2 | R26 M27 | R26-S34 WeakPolarHBondContact CG-O 3.31Å; R26-S34 PolarHBondContact NE-O 2.83Å; M27-S34 PolarHBondContact N-OG 2.95Å; M27-S34 PolarHBondContact O-N 3.42Å |
| 35 | E | 96 | Very high | 95.5 | Very high | 143 Ų | 143 | 62 Ų | 62 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -67 | 169.3 | 157.9 | -63.1 | 178.8 | 135.3 | 0 | 0 | 110.5 | ||
| 36 | E | 96.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 74 Ų | 74 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 129.3 | 171.8 | -172.8 | 178.6 | 85.9 | 0 | 0 | 110.6 | Y24 L25 R74 | Y24-E36 VanDerWaalsContact CB-CD 3.48Å; Y24-E36 HydrophobicContact CD1-CG 4.08Å; Y24-E36 VanDerWaalsContact CD1-OE1 3.22Å; Y24-E36 WeakPolarHBondContact CD1-OE1 3.38Å; Y24-E36 HydrophobicContact CG-CG 4.24Å; L25-E36 CarbonylContact O-C 3.58Å; L25-E36 VanDerWaalsContact O-CA 3.31Å; L25-E36 WeakPolarHBondContact O-CA 3.18Å; E36-R74 IonicContact OE1-CZ 2.79Å; E36-R74 IonicContact OE1-NE 3.67Å; E36-R74 PolarHBondContact OE1-NE 2.91Å; E36-R74 IonicContact OE1-NH2 2.94Å; E36-R74 PolarHBondContact OE1-NH2 3.05Å; E36-R74 IonicContact OE2-CZ 3.54Å; E36-R74 IonicContact OE2-NE 3.12Å; E36-R74 PolarHBondContact OE2-NE 3.09Å; E36-R74 IonicContact OE2-NH2 2.73Å |
| 37 | W | 97.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 73.9 Ų | 73.9 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.3 | 179.7 | -61.4 | -15.8 | 0 | 0 | 0 | 110.8 | Y5 I7 Y24 L25 M27 F59 R62 | Y5-W37 AromaticContact CD2-CH2 3.59Å; Y5-W37 HydrophobicContact CD2-CH2 3.59Å; Y5-W37 AromaticContact CD2-CZ3 3.91Å; Y5-W37 HydrophobicContact CD2-CZ3 3.91Å; Y5-W37 AromaticContact CE2-CH2 3.94Å; Y5-W37 HydrophobicContact CE2-CH2 3.94Å; Y5-W37 HydrophobicContact CG-CH2 4.41Å; Y5-W37 HydrophobicContact CG-CZ3 4.31Å; I7-W37 HydrophobicContact CD1-CE3 4.11Å; I7-W37 HydrophobicContact CD1-CZ3 4.33Å; Y24-W37 CarbonylContact C-O 3.54Å; Y24-W37 VanDerWaalsContact CA-O 3.26Å; Y24-W37 WeakPolarHBondContact CA-O 3.45Å; L25-W37 HydrophobicContact CD1-CE3 4.09Å; L25-W37 HydrophobicContact CD2-CB 4.01Å; L25-W37 HydrophobicContact CD2-CE3 4.39Å; L25-W37 HydrophobicContact CG-CB 4.17Å; L25-W37 HydrophobicContact CG-CE3 4.39Å; L25-W37 PolarHBondContact N-O 2.69Å; L25-W37 PolarHBondContact O-N 3.29Å; M27-W37 HydrophobicContact CE-CE3 4.35Å; M27-W37 HydrophobicContact CE-CH2 3.17Å; M27-W37 HydrophobicContact CE-CZ2 4.16Å; M27-W37 HydrophobicContact CE-CZ3 3.29Å; M27-W37 HydrophobicContact SD-CH2 4.32Å; M27-W37 HydrophobicContact SD-CZ3 3.84Å; W37-F59 HydrophobicContact CB-CD1 4.21Å; W37-F59 HydrophobicContact CB-CE1 3.61Å; W37-F59 HydrophobicContact CB-CZ 3.82Å; W37-F59 AromaticContact CD2-CD1 3.97Å; W37-F59 HydrophobicContact CD2-CD1 3.97Å; W37-F59 HydrophobicContact CD2-CE1 4.28Å; W37-F59 HydrophobicContact CD2-CG 4.27Å; W37-F59 HydrophobicContact CE3-CB 4.17Å; W37-F59 AromaticContact CE3-CD1 3.95Å; W37-F59 HydrophobicContact CE3-CD1 3.95Å; W37-F59 HydrophobicContact CE3-CD2 4.04Å; W37-F59 HydrophobicContact CE3-CE1 4.38Å; W37-F59 HydrophobicContact CE3-CE2 4.45Å; W37-F59 AromaticContact CE3-CG 3.77Å; W37-F59 HydrophobicContact CE3-CG 3.77Å; W37-F59 HydrophobicContact CG-CD1 4.09Å; W37-F59 AromaticContact CG-CE1 3.97Å; W37-F59 HydrophobicContact CG-CE1 3.97Å; W37-F59 HydrophobicContact CZ3-CB 4.08Å; W37-F59 HydrophobicContact CZ3-CG 4.17Å; W37-R62 HydrophobicContact CH2-CB 3.7Å; W37-R62 HydrophobicContact CH2-CG 3.62Å; W37-R62 HydrophobicContact CZ2-CB 3.76Å; W37-R62 HydrophobicContact CZ2-CG 3.6Å; W37-R62 HydrophobicContact CZ3-CG 4.39Å |
| 38 | Q | 96.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 75.7 Ų | 75.7 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.5 | 173.5 | -169.5 | -178 | 12.3 | 0 | 0 | 110.7 | N22 Y24 K40 | N22-Q38 PolarHBondContact OD1-NE2 3.12Å; N22-Q38 VanDerWaalsContact OD1-NE2 3.09Å; Y24-Q38 HydrophobicContact CD1-CB 3.75Å; Y24-Q38 HydrophobicContact CD1-CG 3.99Å; Y24-Q38 HydrophobicContact CE1-CB 3.72Å; Y24-Q38 HydrophobicContact CE1-CG 3.67Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 HydrophobicContact CG-CB 4.37Å; Q38-K40 PolarHBondContact O-N 3.03Å |
| 39 | L | 96.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | trans | -81.1 | 71.7 | 175.3 | -65.2 | -172.1 | 0 | 0 | 0 | 110.8 | I7 V9 V23 L25 K48 F49 F57 F59 | I7-L39 HydrophobicContact CD1-CD2 4.34Å; I7-L39 HydrophobicContact CG2-CD2 4.44Å; V9-L39 HydrophobicContact CG2-CD1 3.72Å; V23-L39 HydrophobicContact CG1-CD1 4.02Å; V23-L39 PolarHBondContact O-N 2.74Å; L25-L39 HydrophobicContact CD2-CD1 4.25Å; L25-L39 HydrophobicContact CD2-CD2 3.22Å; L25-L39 HydrophobicContact CD2-CG 3.74Å; L39-K48 VanDerWaalsContact O-CD 3.3Å; L39-K48 WeakPolarHBondContact O-CD 3.47Å; L39-K48 WeakPolarHBondContact O-CE 3.37Å; L39-F49 HydrophobicContact CB-CZ 3.75Å; L39-F49 HydrophobicContact CD1-CE1 4.26Å; L39-F49 HydrophobicContact CD1-CZ 4.04Å; L39-F57 HydrophobicContact CB-CD1 4.02Å; L39-F57 HydrophobicContact CB-CD2 4.3Å; L39-F57 HydrophobicContact CB-CE1 3.81Å; L39-F57 HydrophobicContact CB-CE2 4.1Å; L39-F57 HydrophobicContact CB-CG 4.27Å; L39-F57 HydrophobicContact CB-CZ 3.86Å; L39-F57 HydrophobicContact CD1-CD2 4.15Å; L39-F57 HydrophobicContact CD1-CE2 4.03Å; L39-F57 HydrophobicContact CD2-CB 3.92Å; L39-F57 HydrophobicContact CD2-CD1 4.18Å; L39-F57 HydrophobicContact CD2-CD2 3.82Å; L39-F57 HydrophobicContact CD2-CE2 4.39Å; L39-F57 HydrophobicContact CD2-CG 3.71Å; L39-F57 HydrophobicContact CG-CD2 4.34Å; L39-F57 HydrophobicContact CG-CE2 4.43Å; L39-F57 HydrophobicContact CG-CG 4.48Å; L39-F57 WeakPolarHBondContact O-CE1 3.38Å; L39-F59 HydrophobicContact CD2-CE2 3.61Å; L39-F59 HydrophobicContact CD2-CZ 3.89Å | ||
| 40 | K | 94.1 | Very high | 94.6 | Very high | 129 Ų | 129 | 76.1 Ų | 76.1 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | trans | -86.4 | -48.7 | -170 | -170.4 | 175.1 | 178 | 176.1 | 0 | 113.9 | Q38 K48 | Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 HydrophobicContact CG-CB 4.37Å; Q38-K40 PolarHBondContact O-N 3.03Å; K40-K48 WeakPolarHBondContact O-CE 3.5Å; K40-K48 PolarHBondContact O-NZ 2.79Å | ||
| 41 | N | 93.5 | Very high | 94.5 | Very high | 131 Ų | 131 | 77.5 Ų | 77.5 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | trans | -111.3 | 94.6 | -169.1 | -61.5 | -25.2 | 0 | 0 | 0 | 110.1 | F57 | N41-F57 VanDerWaalsContact O-CD1 3.28Å; N41-F57 WeakPolarHBondContact O-CD1 3.43Å | ||
| 42 | S | 94 | Very high | 94.6 | Very high | 20 Ų | 20 | 75 Ų | 75 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | trans | -72.1 | 140.4 | 172.3 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | H44 H45 D55 Q56 | S42-H44 VanDerWaalsContact C-N 3.25Å; S42-H44 PolarHBondContact O-N 2.65Å; S42-H44 PolarHBondContact OG-N 3.5Å; S42-H45 WeakPolarHBondContact CB-O 3.43Å; S42-H45 PolarHBondContact OG-N 3.12Å; S42-D55 WeakPolarHBondContact CB-OD1 3.13Å; S42-D55 PolarHBondContact OG-OD1 3.28Å; S42-Q56 CarbonylContact C-O 3.58Å; S42-Q56 WeakPolarHBondContact CA-O 3.46Å | ||
| 43 | K | 92 | Very high | 94.7 | Very high | 27 Ų | 27 | 76.7 Ų | 76.7 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -60.2 | -36.6 | 174.5 | -73.2 | -157.8 | 73.3 | -157.1 | 0 | 112.2 | Q56 V58 D136 S138 I139 | K43-Q56 HydrophobicContact CB-CB 4.26Å; K43-Q56 HydrophobicContact CD-CB 4.46Å; K43-Q56 HydrophobicContact CG-CB 4.29Å; K43-Q56 PolarHBondContact N-O 2.9Å; K43-V58 HydrophobicContact CD-CG2 4.01Å; K43-V58 HydrophobicContact CG-CG2 4.37Å; K43-D136 PolarHBondContact NZ-O 2.72Å; K43-S138 PolarHBondContact NZ-O 3.14Å; K43-I139 HydrophobicContact CB-CD1 3.99Å; K43-I139 HydrophobicContact CD-CD1 4.11Å; K43-I139 HydrophobicContact CG-CD1 3.75Å |
| 44 | H | 88.7 | Confident | 94.7 | Very high | 100 Ų | 100 | 75.4 Ų | 75.4 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -107.5 | -25 | -164.3 | -59.4 | -52.1 | 0 | 0 | 0 | 113.7 | S42 Q56 | S42-H44 VanDerWaalsContact C-N 3.25Å; S42-H44 PolarHBondContact O-N 2.65Å; S42-H44 PolarHBondContact OG-N 3.5Å; H44-Q56 PolarHBondContact NE2-OE1 3.15Å |
| 45 | H | 90.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 75.3 Ų | 75.3 | 27% | 0.269 | 35% | 0.345 | S | S | . | . | trans | -133.9 | 130.4 | -170 | -48.2 | 115.7 | 0 | 0 | 0 | 112.1 | S42 N47 T54 D55 | S42-H45 WeakPolarHBondContact CB-O 3.43Å; S42-H45 PolarHBondContact OG-N 3.12Å; H45-N47 VanDerWaalsContact CB-O 3.25Å; H45-N47 WeakPolarHBondContact CB-O 3.32Å; H45-T54 PolarHBondContact CE1-O 2.81Å; H45-D55 IonicContact CE1-OD1 3.91Å; H45-D55 IonicContact CG-OD1 3.52Å; H45-D55 IonicContact ND1-OD1 2.78Å; H45-D55 PolarHBondContact ND1-OD1 3Å | ||
| 46 | R | 91.9 | Very high | 94.7 | Very high | 257 Ų | 257 | 70.8 Ų | 70.8 | 97% | 0.97 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -68.7 | -43.1 | 169.3 | -67.1 | -176.4 | -179.8 | -176.8 | 0.4 | 111 | ||
| 47 | N | 91.6 | Very high | 94.7 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -98.9 | 109.2 | 169.9 | -169.3 | 20.3 | 0 | 0 | 0 | 109 | H45 E50 | H45-N47 VanDerWaalsContact CB-O 3.25Å; H45-N47 WeakPolarHBondContact CB-O 3.32Å; N47-E50 VanDerWaalsContact ND2-CD 3.35Å; N47-E50 PolarHBondContact ND2-OE1 3.48Å |
| 48 | K | 94.4 | Very high | 94.7 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | trans | -102 | 162.5 | -169.8 | 54.2 | 178.1 | 178.2 | -77.7 | 0 | 109.8 | L39 K40 E50 F57 | L39-K48 VanDerWaalsContact O-CD 3.3Å; L39-K48 WeakPolarHBondContact O-CD 3.47Å; L39-K48 WeakPolarHBondContact O-CE 3.37Å; K40-K48 WeakPolarHBondContact O-CE 3.5Å; K40-K48 PolarHBondContact O-NZ 2.79Å; K48-E50 VanDerWaalsContact C-N 3.25Å; K48-E50 PolarHBondContact O-N 2.77Å; K48-F57 HydrophobicContact CB-CZ 4.5Å; K48-F57 HydrophobicContact CD-CE1 3.95Å; K48-F57 HydrophobicContact CD-CZ 3.97Å | ||
| 49 | F | 94.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 62.8 | 30.6 | -179.3 | -44.1 | -56.3 | 0 | 0 | 0 | 113.9 | V9 T11 G18 T19 V23 L39 D55 F57 W84 | V9-F49 HydrophobicContact CB-CE1 4.23Å; V9-F49 HydrophobicContact CG1-CD1 4.16Å; V9-F49 HydrophobicContact CG1-CE1 4.01Å; V9-F49 HydrophobicContact CG2-CE1 4.46Å; T11-F49 WeakPolarHBondContact OG1-CA 3.23Å; G18-F49 CarbonylContact C-O 3.56Å; G18-F49 WeakPolarHBondContact CA-O 3.15Å; T19-F49 HydrophobicContact CG2-CB 3.86Å; T19-F49 HydrophobicContact CG2-CD2 4.35Å; T19-F49 HydrophobicContact CG2-CG 4.39Å; T19-F49 PolarHBondContact N-O 3.35Å; T19-F49 VanDerWaalsContact N-O 3.14Å; V23-F49 HydrophobicContact CB-CD2 4.45Å; V23-F49 HydrophobicContact CB-CE2 3.68Å; V23-F49 HydrophobicContact CB-CZ 3.75Å; V23-F49 HydrophobicContact CG1-CZ 4.32Å; V23-F49 HydrophobicContact CG2-CD2 3.77Å; V23-F49 HydrophobicContact CG2-CE2 3.49Å; V23-F49 VanDerWaalsContact CG2-CE2 3.49Å; V23-F49 HydrophobicContact CG2-CG 4.38Å; V23-F49 HydrophobicContact CG2-CZ 3.91Å; L39-F49 HydrophobicContact CB-CZ 3.75Å; L39-F49 HydrophobicContact CD1-CE1 4.26Å; L39-F49 HydrophobicContact CD1-CZ 4.04Å; F49-D55 PolarHBondContact N-OD2 3.1Å; F49-F57 AromaticContact CE1-CE2 3.85Å; F49-F57 HydrophobicContact CE1-CE2 3.85Å; F49-F57 AromaticContact CE1-CZ 3.74Å; F49-F57 HydrophobicContact CE1-CZ 3.74Å; F49-F57 HydrophobicContact CZ-CE1 4.47Å; F49-F57 HydrophobicContact CZ-CE2 4.05Å; F49-F57 AromaticContact CZ-CZ 3.57Å; F49-F57 HydrophobicContact CZ-CZ 3.57Å; F49-W84 HydrophobicContact CD1-CH2 4.48Å; F49-W84 AromaticContact CD1-CZ2 3.82Å; F49-W84 HydrophobicContact CD1-CZ2 3.82Å; F49-W84 HydrophobicContact CE1-CZ2 4.36Å; F49-W84 HydrophobicContact CG-CZ2 4.35Å |
| 50 | E | 95.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 69 Ų | 69 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | trans | -73.1 | 153 | 173.2 | -73.4 | -62.4 | 127.2 | 0 | 0 | 111.6 | T11 N47 K48 N52 K53 | T11-E50 VanDerWaalsContact CB-O 3.27Å; T11-E50 WeakPolarHBondContact CB-O 3.4Å; T11-E50 WeakPolarHBondContact CG2-O 3.5Å; N47-E50 VanDerWaalsContact ND2-CD 3.35Å; N47-E50 PolarHBondContact ND2-OE1 3.48Å; K48-E50 VanDerWaalsContact C-N 3.25Å; K48-E50 PolarHBondContact O-N 2.77Å; E50-N52 PolarHBondContact O-N 2.89Å; E50-K53 HydrophobicContact CB-CB 4.1Å; E50-K53 HydrophobicContact CB-CG 3.57Å; E50-K53 WeakPolarHBondContact O-CB 3.44Å; E50-K53 PolarHBondContact O-N 2.91Å | ||
| 51 | R | 95.5 | Very high | 94.6 | Very high | 118 Ų | 118 | 70.1 Ų | 70.1 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 131.9 | 178 | 174.1 | -175.9 | 164.5 | -167.6 | -6.2 | 111.1 | D13 L14 A17 K53 | D13-R51 IonicContact OD1-CZ 3.19Å; D13-R51 IonicContact OD1-NE 2.7Å; D13-R51 PolarHBondContact OD1-NE 3.23Å; D13-R51 IonicContact OD1-NH2 2.81Å; D13-R51 PolarHBondContact OD1-NH2 2.86Å; L14-R51 VanDerWaalsContact O-CD 3.32Å; L14-R51 WeakPolarHBondContact O-CD 3.22Å; A17-R51 HydrophobicContact CB-CB 4.41Å; A17-R51 HydrophobicContact CB-CG 4.3Å; R51-K53 PolarHBondContact O-N 2.73Å; R51-K53 VanDerWaalsContact O-N 3.1Å |
| 52 | N | 97.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 68.3 Ų | 68.3 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 16.2 | 179.6 | -161.8 | 12.5 | 0 | 0 | 0 | 114.6 | K10 T11 G12 D13 E50 | K10-N52 PolarHBondContact NZ-O 3.4Å; K10-N52 PolarHBondContact NZ-OD1 3.11Å; T11-N52 WeakPolarHBondContact O-CA 3.2Å; T11-N52 PolarHBondContact O-N 2.94Å; G12-N52 PolarHBondContact O-N 3.2Å; D13-N52 HydrophobicContact CB-CB 3.89Å; D13-N52 PolarHBondContact OD2-ND2 3.44Å; E50-N52 PolarHBondContact O-N 2.89Å |
| 53 | K | 97.4 | Very high | 94.8 | Very high | 106 Ų | 106 | 72.6 Ų | 72.6 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | trans | -97.2 | 154.8 | 175.9 | -61.1 | -56.5 | -175 | 173.3 | 0 | 112.2 | T11 E50 R51 | T11-K53 PolarHBondContact N-O 3.22Å; E50-K53 HydrophobicContact CB-CB 4.1Å; E50-K53 HydrophobicContact CB-CG 3.57Å; E50-K53 WeakPolarHBondContact O-CB 3.44Å; E50-K53 PolarHBondContact O-N 2.91Å; R51-K53 PolarHBondContact O-N 2.73Å; R51-K53 VanDerWaalsContact O-N 3.1Å | ||
| 54 | T | 97.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 72 Ų | 72 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118.9 | 176 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | T8 V9 K10 H45 | T8-T54 HydrophobicContact CG2-CG2 3.33Å; V9-T54 CarbonylContact O-C 3.52Å; V9-T54 WeakPolarHBondContact O-CA 3.47Å; K10-T54 WeakPolarHBondContact CD-OG1 3.3Å; H45-T54 PolarHBondContact CE1-O 2.81Å |
| 55 | D | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.6 | 178.8 | -71.8 | -70.9 | 0 | 0 | 0 | 111 | T8 V9 S42 H45 F49 F57 | T8-D55 CarbonylContact C-O 3.56Å; T8-D55 WeakPolarHBondContact CA-O 3.38Å; V9-D55 PolarHBondContact N-O 2.99Å; V9-D55 PolarHBondContact O-N 3.4Å; S42-D55 WeakPolarHBondContact CB-OD1 3.13Å; S42-D55 PolarHBondContact OG-OD1 3.28Å; H45-D55 IonicContact CE1-OD1 3.91Å; H45-D55 IonicContact CG-OD1 3.52Å; H45-D55 IonicContact ND1-OD1 2.78Å; H45-D55 PolarHBondContact ND1-OD1 3Å; F49-D55 PolarHBondContact N-OD2 3.1Å; D55-F57 HydrophobicContact CB-CD2 4.48Å; D55-F57 HydrophobicContact CB-CE2 3.5Å; D55-F57 VanDerWaalsContact CB-CE2 3.5Å; D55-F57 HydrophobicContact CB-CZ 3.73Å |
| 56 | Q | 96.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 64.6 Ų | 64.6 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.2 | 179 | -75.8 | -172.6 | -27.9 | 0 | 0 | 110.6 | L6 I7 T8 S42 K43 H44 | L6-Q56 HydrophobicContact CD1-CB 4.09Å; L6-Q56 HydrophobicContact CD1-CG 4.37Å; I7-Q56 CarbonylContact O-C 3.59Å; I7-Q56 VanDerWaalsContact O-CA 3.3Å; I7-Q56 WeakPolarHBondContact O-CA 3.48Å; T8-Q56 HydrophobicContact CG2-CG 4.19Å; T8-Q56 PolarHBondContact OG1-NE2 2.91Å; S42-Q56 CarbonylContact C-O 3.58Å; S42-Q56 WeakPolarHBondContact CA-O 3.46Å; K43-Q56 HydrophobicContact CB-CB 4.26Å; K43-Q56 HydrophobicContact CD-CB 4.46Å; K43-Q56 HydrophobicContact CG-CB 4.29Å; K43-Q56 PolarHBondContact N-O 2.9Å; H44-Q56 PolarHBondContact NE2-OE1 3.15Å |
| 57 | F | 96.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.5 | -178.3 | -53.6 | -93.4 | 0 | 0 | 0 | 109.4 | I7 V9 L39 N41 K48 F49 D55 F59 | I7-F57 HydrophobicContact CB-CB 4.4Å; I7-F57 PolarHBondContact N-O 2.79Å; I7-F57 PolarHBondContact O-N 3.11Å; V9-F57 HydrophobicContact CB-CE2 4.47Å; V9-F57 HydrophobicContact CG2-CD2 4.33Å; V9-F57 HydrophobicContact CG2-CE2 4.09Å; L39-F57 HydrophobicContact CB-CD1 4.02Å; L39-F57 HydrophobicContact CB-CD2 4.3Å; L39-F57 HydrophobicContact CB-CE1 3.81Å; L39-F57 HydrophobicContact CB-CE2 4.1Å; L39-F57 HydrophobicContact CB-CG 4.27Å; L39-F57 HydrophobicContact CB-CZ 3.86Å; L39-F57 HydrophobicContact CD1-CD2 4.15Å; L39-F57 HydrophobicContact CD1-CE2 4.03Å; L39-F57 HydrophobicContact CD2-CB 3.92Å; L39-F57 HydrophobicContact CD2-CD1 4.18Å; L39-F57 HydrophobicContact CD2-CD2 3.82Å; L39-F57 HydrophobicContact CD2-CE2 4.39Å; L39-F57 HydrophobicContact CD2-CG 3.71Å; L39-F57 HydrophobicContact CG-CD2 4.34Å; L39-F57 HydrophobicContact CG-CE2 4.43Å; L39-F57 HydrophobicContact CG-CG 4.48Å; L39-F57 WeakPolarHBondContact O-CE1 3.38Å; N41-F57 VanDerWaalsContact O-CD1 3.28Å; N41-F57 WeakPolarHBondContact O-CD1 3.43Å; K48-F57 HydrophobicContact CB-CZ 4.5Å; K48-F57 HydrophobicContact CD-CE1 3.95Å; K48-F57 HydrophobicContact CD-CZ 3.97Å; F49-F57 AromaticContact CE1-CE2 3.85Å; F49-F57 HydrophobicContact CE1-CE2 3.85Å; F49-F57 AromaticContact CE1-CZ 3.74Å; F49-F57 HydrophobicContact CE1-CZ 3.74Å; F49-F57 HydrophobicContact CZ-CE1 4.47Å; F49-F57 HydrophobicContact CZ-CE2 4.05Å; F49-F57 AromaticContact CZ-CZ 3.57Å; F49-F57 HydrophobicContact CZ-CZ 3.57Å; D55-F57 HydrophobicContact CB-CD2 4.48Å; D55-F57 HydrophobicContact CB-CE2 3.5Å; D55-F57 VanDerWaalsContact CB-CE2 3.5Å; D55-F57 HydrophobicContact CB-CZ 3.73Å; F57-F59 HydrophobicContact CB-CD2 4.42Å; F57-F59 HydrophobicContact CB-CE2 3.82Å |
| 58 | V | 96.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.7 | 179.2 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | Y5 L6 K43 I135 | Y5-V58 WeakPolarHBondContact O-CA 3.16Å; L6-V58 HydrophobicContact CD1-CG2 3.99Å; K43-V58 HydrophobicContact CD-CG2 4.01Å; K43-V58 HydrophobicContact CG-CG2 4.37Å; V58-I135 HydrophobicContact CG1-CD1 3.78Å; V58-I135 HydrophobicContact CG1-CG2 4.37Å; V58-I135 HydrophobicContact CG2-CD1 4.29Å; V58-I135 HydrophobicContact CG2-CG2 3.57Å |
| 59 | F | 96.2 | Very high | 96 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 97.2 | 171.7 | -69.9 | -92.6 | 0 | 0 | 0 | 108.8 | D4 Y5 I7 L25 W37 L39 F57 R62 | D4-F59 WeakPolarHBondContact CA-O 3.28Å; Y5-F59 PolarHBondContact N-O 3.04Å; Y5-F59 PolarHBondContact O-N 2.76Å; I7-F59 HydrophobicContact CD1-CD2 3.65Å; I7-F59 HydrophobicContact CD1-CE2 3.75Å; I7-F59 HydrophobicContact CG1-CD2 4.27Å; L25-F59 HydrophobicContact CD2-CE2 4.37Å; W37-F59 HydrophobicContact CB-CD1 4.21Å; W37-F59 HydrophobicContact CB-CE1 3.61Å; W37-F59 HydrophobicContact CB-CZ 3.82Å; W37-F59 AromaticContact CD2-CD1 3.97Å; W37-F59 HydrophobicContact CD2-CD1 3.97Å; W37-F59 HydrophobicContact CD2-CE1 4.28Å; W37-F59 HydrophobicContact CD2-CG 4.27Å; W37-F59 HydrophobicContact CE3-CB 4.17Å; W37-F59 AromaticContact CE3-CD1 3.95Å; W37-F59 HydrophobicContact CE3-CD1 3.95Å; W37-F59 HydrophobicContact CE3-CD2 4.04Å; W37-F59 HydrophobicContact CE3-CE1 4.38Å; W37-F59 HydrophobicContact CE3-CE2 4.45Å; W37-F59 AromaticContact CE3-CG 3.77Å; W37-F59 HydrophobicContact CE3-CG 3.77Å; W37-F59 HydrophobicContact CG-CD1 4.09Å; W37-F59 AromaticContact CG-CE1 3.97Å; W37-F59 HydrophobicContact CG-CE1 3.97Å; W37-F59 HydrophobicContact CZ3-CB 4.08Å; W37-F59 HydrophobicContact CZ3-CG 4.17Å; L39-F59 HydrophobicContact CD2-CE2 3.61Å; L39-F59 HydrophobicContact CD2-CZ 3.89Å; F57-F59 HydrophobicContact CB-CD2 4.42Å; F57-F59 HydrophobicContact CB-CE2 3.82Å; F59-R62 HydrophobicContact CB-CG 3.85Å |
| 60 | A | 94.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 153.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D4 R62 | D4-A60 WeakPolarHBondContact OD1-CA 3.49Å; A60-R62 VanDerWaalsContact C-N 3.31Å; A60-R62 PolarHBondContact O-N 2.88Å |
| 61 | Q | 94.4 | Very high | 96.3 | Very high | 153 Ų | 153 | 58 Ų | 58 | 72% | 0.715 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 42 | 170.7 | -58.9 | -174 | -10.3 | 0 | 0 | 114.1 | L2 T3 D4 | L2-Q61 HydrophobicContact CD1-CB 4.49Å; T3-Q61 PolarHBondContact O-N 3.44Å; D4-Q61 PolarHBondContact OD1-N 2.78Å |
| 62 | R | 95.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 35% | 0.347 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 152.2 | 177 | -58.6 | -56.3 | 179.5 | 173.1 | -1.8 | 110.9 | L2 T3 Y5 W37 F59 A60 C64 | L2-R62 CarbonylContact C-O 3.58Å; L2-R62 VanDerWaalsContact CA-O 3.23Å; L2-R62 WeakPolarHBondContact CA-O 3.27Å; T3-R62 PolarHBondContact N-O 2.79Å; T3-R62 PolarHBondContact O-N 2.87Å; Y5-R62 HydrophobicContact CD2-CB 3.82Å; Y5-R62 HydrophobicContact CD2-CG 4.31Å; Y5-R62 HydrophobicContact CE2-CB 3.91Å; W37-R62 HydrophobicContact CH2-CB 3.7Å; W37-R62 HydrophobicContact CH2-CG 3.62Å; W37-R62 HydrophobicContact CZ2-CB 3.76Å; W37-R62 HydrophobicContact CZ2-CG 3.6Å; W37-R62 HydrophobicContact CZ3-CG 4.39Å; F59-R62 HydrophobicContact CB-CG 3.85Å; A60-R62 VanDerWaalsContact C-N 3.31Å; A60-R62 PolarHBondContact O-N 2.88Å; R62-C64 PolarHBondContact O-N 2.89Å |
| 63 | K | 96.5 | Very high | 96.3 | Very high | 111 Ų | 111 | 51 Ų | 51 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 129.6 | 174.4 | -171.1 | 176.3 | 174.6 | -170.2 | 0 | 109.3 | F32 C65 | F32-K63 HydrophobicContact CD1-CB 4.18Å; F32-K63 HydrophobicContact CD1-CD 3.84Å; F32-K63 HydrophobicContact CD1-CG 4.08Å; F32-K63 HydrophobicContact CD2-CD 4.01Å; F32-K63 HydrophobicContact CE1-CB 4.04Å; F32-K63 HydrophobicContact CE1-CD 3.82Å; F32-K63 HydrophobicContact CE1-CG 4.27Å; F32-K63 HydrophobicContact CE2-CD 3.99Å; F32-K63 HydrophobicContact CG-CD 3.93Å; F32-K63 HydrophobicContact CG-CG 4.45Å; F32-K63 HydrophobicContact CZ-CD 3.9Å; K63-C65 PolarHBondContact O-N 2.88Å |
| 64 | C | 95 | Very high | 96.1 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -61 | 128.6 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | M1 T3 Y5 R62 G66 | M1-C64 HydrophobicContact CB-CB 4.22Å; M1-C64 HydrophobicContact CG-CB 4.3Å; M1-C64 PolarHBondContact O-N 3.17Å; M1-C64 HydrophobicContact SD-CB 4.48Å; T3-C64 HydrophobicContact CG2-CB 4.13Å; Y5-C64 WeakPolarHBondContact OH-CA 3.29Å; R62-C64 PolarHBondContact O-N 2.89Å; C64-G66 PolarHBondContact SG-N 3.23Å; C64-G66 VanDerWaalsContact SG-N 3.44Å |
| 65 | C | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -88 | -6.1 | 178 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | Y5 G29 D30 D31 F32 K63 L68 | Y5-C65 PolarHBondContact OH-N 2.88Å; G29-C65 CarbonylContact C-O 3.38Å; G29-C65 VanDerWaalsContact CA-O 3.26Å; G29-C65 WeakPolarHBondContact CA-O 3.15Å; D30-C65 PolarHBondContact N-O 3.25Å; D31-C65 PolarHBondContact N-O 2.82Å; D31-C65 VanDerWaalsContact N-O 3.17Å; F32-C65 PolarHBondContact N-O 3.38Å; F32-C65 WeakPolarHBondContact O-CB 3.48Å; K63-C65 PolarHBondContact O-N 2.88Å; C65-L68 HydrophobicContact CB-CD2 3.53Å | ||
| 66 | G | 94.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | trans | 72 | -155.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D31 C64 L68 | D31-G66 VanDerWaalsContact OD2-CA 3.28Å; D31-G66 WeakPolarHBondContact OD2-CA 3.24Å; C64-G66 PolarHBondContact SG-N 3.23Å; C64-G66 VanDerWaalsContact SG-N 3.44Å; G66-L68 PolarHBondContact O-N 3.04Å | ||
| 67 | R | 95.2 | Very high | 94.7 | Very high | 115 Ų | 115 | 50 Ų | 50 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -62.9 | 119.7 | 176.9 | -173.3 | 174.4 | 176.1 | 176.3 | 8.3 | 110.2 | G29 D30 R69 F100 E128 | G29-R67 CarbonylContact C-O 3.55Å; G29-R67 WeakPolarHBondContact CA-O 3.45Å; D30-R67 PolarHBondContact N-O 2.79Å; R67-R69 VanDerWaalsContact NE-NH1 3.17Å; R67-F100 HydrophobicContact CG-CE1 3.88Å; R67-E128 IonicContact CZ-OE1 3.29Å; R67-E128 IonicContact CZ-OE2 2.77Å; R67-E128 VanDerWaalsContact CZ-OE2 3.3Å; R67-E128 IonicContact NE-OE1 3.5Å; R67-E128 PolarHBondContact NE-OE1 2.88Å; R67-E128 IonicContact NE-OE2 3.57Å; R67-E128 PolarHBondContact NE-OE2 3.38Å; R67-E128 VanDerWaalsContact NH2-CD 3.26Å; R67-E128 IonicContact NH2-OE1 2.83Å; R67-E128 PolarHBondContact NH2-OE1 3Å; R67-E128 IonicContact NH2-OE2 3.61Å; R67-E128 PolarHBondContact NH2-OE2 2.77Å |
| 68 | L | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.2 | -177.4 | -60.1 | -178.4 | 0 | 0 | 0 | 111.4 | M27 C65 G66 V91 F100 F102 | M27-L68 HydrophobicContact CB-CD2 4.03Å; M27-L68 HydrophobicContact SD-CD1 4.14Å; C65-L68 HydrophobicContact CB-CD2 3.53Å; G66-L68 PolarHBondContact O-N 3.04Å; L68-V91 HydrophobicContact CD1-CB 3.72Å; L68-V91 HydrophobicContact CD1-CG1 3.49Å; L68-V91 VanDerWaalsContact CD1-CG1 3.49Å; L68-V91 HydrophobicContact CD1-CG2 4.3Å; L68-F100 HydrophobicContact CB-CB 4.25Å; L68-F100 HydrophobicContact CB-CD1 3.86Å; L68-F100 HydrophobicContact CB-CD2 4.12Å; L68-F100 HydrophobicContact CB-CE1 4.32Å; L68-F100 HydrophobicContact CB-CE2 4.5Å; L68-F100 HydrophobicContact CB-CG 3.8Å; L68-F100 HydrophobicContact CD1-CB 4.27Å; L68-F100 HydrophobicContact CD1-CD2 3.72Å; L68-F100 HydrophobicContact CD1-CE2 4.33Å; L68-F100 HydrophobicContact CD1-CG 4.05Å; L68-F100 HydrophobicContact CG-CD1 4.47Å; L68-F100 HydrophobicContact CG-CD2 3.87Å; L68-F100 HydrophobicContact CG-CE2 4.1Å; L68-F100 HydrophobicContact CG-CG 4.1Å; L68-F102 HydrophobicContact CB-CE2 4.48Å; L68-F102 HydrophobicContact CB-CZ 3.81Å; L68-F102 HydrophobicContact CD1-CE2 4.41Å; L68-F102 HydrophobicContact CD1-CZ 4.44Å |
| 69 | R | 96.7 | Very high | 92.9 | Very high | 99 Ų | 99 | 52.4 Ų | 52.4 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -41.7 | -179.4 | -59.7 | -55.2 | -172.9 | 167.6 | 2.7 | 112.5 | I28 D30 R67 C125 | I28-R69 PolarHBondContact O-N 2.92Å; D30-R69 VanDerWaalsContact CG-NE 3.34Å; D30-R69 WeakPolarHBondContact OD1-CG 3.26Å; D30-R69 IonicContact OD1-CZ 3.41Å; D30-R69 IonicContact OD1-NE 2.76Å; D30-R69 PolarHBondContact OD1-NE 2.9Å; D30-R69 IonicContact OD1-NH2 3.34Å; D30-R69 IonicContact OD2-CZ 3.71Å; D30-R69 IonicContact OD2-NE 3.68Å; D30-R69 PolarHBondContact OD2-NE 2.99Å; D30-R69 VanDerWaalsContact OD2-NE 3.12Å; D30-R69 IonicContact OD2-NH2 2.87Å; D30-R69 PolarHBondContact OD2-NH2 2.84Å; R67-R69 VanDerWaalsContact NE-NH1 3.17Å; R69-C125 PolarHBondContact O-N 2.86Å |
| 70 | K | 97.5 | Very high | 91.6 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150.7 | -177.8 | -56.5 | 172 | -173.5 | 169 | 0 | 110.5 | I28 V122 L123 | I28-K70 HydrophobicContact CB-CB 4.12Å; I28-K70 HydrophobicContact CD1-CB 4.06Å; I28-K70 HydrophobicContact CD1-CD 4.47Å; I28-K70 PolarHBondContact N-O 3.49Å; I28-K70 PolarHBondContact O-N 2.84Å; I28-K70 VanDerWaalsContact O-N 3.11Å; K70-V122 HydrophobicContact CB-CG1 4Å; K70-V122 HydrophobicContact CD-CG1 4.16Å; K70-V122 HydrophobicContact CG-CG1 4.37Å; K70-L123 CarbonylContact C-O 3.58Å; K70-L123 WeakPolarHBondContact CA-O 3.43Å |
| 71 | L | 97.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117.1 | 174 | -175.5 | 71.6 | 0 | 0 | 0 | 108.1 | L25 M27 V73 V89 V91 F102 L123 | L25-L71 HydrophobicContact CB-CD1 4.28Å; L25-L71 HydrophobicContact CD1-CD1 3.68Å; M27-L71 HydrophobicContact CB-CD1 4.48Å; M27-L71 HydrophobicContact CG-CD1 3.77Å; L71-V73 HydrophobicContact CD2-CG2 3.96Å; L71-V73 HydrophobicContact CG-CG2 4.07Å; L71-V89 HydrophobicContact CD2-CB 3.61Å; L71-V89 HydrophobicContact CD2-CG1 3.53Å; L71-V89 HydrophobicContact CD2-CG2 4.05Å; L71-V91 HydrophobicContact CD1-CG2 4.33Å; L71-V91 HydrophobicContact CD2-CG2 4.38Å; L71-F102 HydrophobicContact CB-CD1 3.62Å; L71-F102 HydrophobicContact CB-CD2 4.18Å; L71-F102 HydrophobicContact CB-CE1 3.78Å; L71-F102 HydrophobicContact CB-CE2 4.32Å; L71-F102 HydrophobicContact CB-CG 3.84Å; L71-F102 HydrophobicContact CB-CZ 4.14Å; L71-F102 HydrophobicContact CD2-CB 4.26Å; L71-F102 HydrophobicContact CD2-CD2 4Å; L71-F102 HydrophobicContact CD2-CG 4.06Å; L71-L123 HydrophobicContact CB-CB 4.38Å; L71-L123 HydrophobicContact CD2-CD1 4.43Å; L71-L123 PolarHBondContact N-O 2.81Å; L71-L123 PolarHBondContact O-N 3.42Å |
| 72 | N | 96.9 | Very high | 89.9 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.5 | 169.8 | 180 | -137.4 | 0 | 0 | 0 | 108.6 | L25 R26 V121 V122 | L25-N72 CarbonylContact C-O 3.49Å; L25-N72 WeakPolarHBondContact CA-O 3.4Å; R26-N72 HydrophobicContact CB-CB 4.19Å; R26-N72 PolarHBondContact N-O 2.76Å; R26-N72 PolarHBondContact O-N 3.02Å; N72-V121 WeakPolarHBondContact CA-O 3.43Å; N72-V121 PolarHBondContact ND2-O 2.87Å; N72-V122 HydrophobicContact CB-CG2 4.41Å |
| 73 | V | 96.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.1 | 175 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | V23 Y24 L71 W84 L86 V89 I108 G120 V121 L123 | V23-V73 HydrophobicContact CG1-CG1 4.07Å; Y24-V73 WeakPolarHBondContact O-CA 3.45Å; L71-V73 HydrophobicContact CD2-CG2 3.96Å; L71-V73 HydrophobicContact CG-CG2 4.07Å; V73-W84 HydrophobicContact CG1-CH2 4.4Å; V73-W84 HydrophobicContact CG1-CZ3 3.76Å; V73-L86 HydrophobicContact CB-CD2 4.48Å; V73-L86 HydrophobicContact CG1-CD2 4.09Å; V73-L86 HydrophobicContact CG2-CD2 4.31Å; V73-V89 HydrophobicContact CG2-CG2 4.31Å; V73-I108 HydrophobicContact CG1-CD1 4.46Å; V73-G120 CarbonylContact O-C 3.57Å; V73-G120 WeakPolarHBondContact O-CA 3.21Å; V73-V121 HydrophobicContact CB-CG2 4.2Å; V73-V121 PolarHBondContact N-O 3.42Å; V73-V121 PolarHBondContact O-N 2.69Å; V73-L123 HydrophobicContact CG2-CD1 3.79Å; V73-L123 HydrophobicContact CG2-CG 4.48Å |
| 74 | R | 92.7 | Very high | 89.4 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.8 | 179.6 | -174.2 | -174.1 | 70 | 79.2 | -6.3 | 109 | V23 Y24 E36 S119 | V23-R74 CarbonylContact C-O 3.37Å; V23-R74 WeakPolarHBondContact CA-O 3.33Å; Y24-R74 VanDerWaalsContact CD2-CZ 3.48Å; Y24-R74 VanDerWaalsContact CG-NH2 3.27Å; Y24-R74 PolarHBondContact N-O 2.85Å; Y24-R74 PolarHBondContact O-N 2.86Å; E36-R74 IonicContact OE1-CZ 2.79Å; E36-R74 IonicContact OE1-NE 3.67Å; E36-R74 PolarHBondContact OE1-NE 2.91Å; E36-R74 IonicContact OE1-NH2 2.94Å; E36-R74 PolarHBondContact OE1-NH2 3.05Å; E36-R74 IonicContact OE2-CZ 3.54Å; E36-R74 IonicContact OE2-NE 3.12Å; E36-R74 PolarHBondContact OE2-NE 3.09Å; E36-R74 IonicContact OE2-NH2 2.73Å; R74-S119 CarbonylContact C-O 3.58Å; R74-S119 WeakPolarHBondContact CA-O 3.43Å |
| 75 | H | 88.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 164.6 | 161.5 | 77.9 | 111.8 | 0 | 0 | 0 | 109.9 | S21 N22 V23 N77 S82 G109 S119 | S21-H75 PolarHBondContact OG-ND1 2.63Å; N22-H75 WeakPolarHBondContact O-CA 3.43Å; N22-H75 WeakPolarHBondContact O-CB 3.27Å; V23-H75 HydrophobicContact CG2-CB 4.36Å; H75-N77 VanDerWaalsContact CE1-CG 3.48Å; H75-N77 PolarHBondContact CE1-OD1 3.18Å; H75-N77 PolarHBondContact ND1-N 3.08Å; H75-N77 PolarHBondContact NE2-OD1 2.83Å; H75-S82 PolarHBondContact CE1-O 3.23Å; H75-S82 VanDerWaalsContact CE1-O 3.28Å; H75-G109 WeakPolarHBondContact CE1-CA 3.48Å; H75-G109 WeakPolarHBondContact NE2-CA 3.27Å; H75-G109 PolarHBondContact NE2-N 2.87Å; H75-S119 VanDerWaalsContact CD2-C 3.46Å; H75-S119 PolarHBondContact CD2-O 2.78Å; H75-S119 PolarHBondContact N-O 2.75Å; H75-S119 VanDerWaalsContact NE2-CA 3.29Å; H75-S119 WeakPolarHBondContact NE2-CA 3.31Å; H75-S119 VanDerWaalsContact O-O 3.11Å |
| 76 | D | 89.3 | Confident | 89.3 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | trans | -97.5 | 8.4 | -173 | 65.7 | -2.3 | 0 | 0 | 0 | 114.7 | N22 Y24 T78 | N22-D76 VanDerWaalsContact CB-OD2 3.3Å; N22-D76 WeakPolarHBondContact CB-OD2 2.85Å; N22-D76 PolarHBondContact N-OD1 2.97Å; N22-D76 PolarHBondContact ND2-OD2 3.09Å; N22-D76 PolarHBondContact O-N 3.24Å; Y24-D76 HydrophobicContact CE2-CB 4.18Å; D76-T78 HydrophobicContact CB-CG2 4.33Å; D76-T78 VanDerWaalsContact CG-CG2 3.4Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 PolarHBondContact O-N 2.87Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CB 3.3Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.4Å; D76-T78 PolarHBondContact OD1-N 2.79Å; D76-T78 VanDerWaalsContact OD1-N 3.08Å; D76-T78 PolarHBondContact OD1-OG1 3.29Å; D76-T78 VanDerWaalsContact OD2-CG2 3.27Å; D76-T78 WeakPolarHBondContact OD2-CG2 3.27Å; D76-T78 PolarHBondContact OD2-OG1 3.34Å | ||
| 77 | N | 84.3 | Confident | 89.4 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | 54.7 | 18.9 | -174.8 | -76.9 | -54.3 | 0 | 0 | 0 | 114.9 | H75 G110 S119 | H75-N77 VanDerWaalsContact CE1-CG 3.48Å; H75-N77 PolarHBondContact CE1-OD1 3.18Å; H75-N77 PolarHBondContact ND1-N 3.08Å; H75-N77 PolarHBondContact NE2-OD1 2.83Å; N77-G110 PolarHBondContact OD1-N 3.17Å; N77-S119 VanDerWaalsContact ND2-CB 3.27Å; N77-S119 WeakPolarHBondContact ND2-CB 3.36Å | ||
| 78 | T | 83 | Confident | 89.6 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 37% | 0.368 | 25% | 0.245 | S | C | . | . | trans | -71.5 | 151.2 | 174.6 | 56.7 | 0 | 0 | 0 | 0 | 111 | S21 D76 | S21-T78 WeakPolarHBondContact CA-O 3.15Å; S21-T78 PolarHBondContact OG-N 2.96Å; S21-T78 PolarHBondContact OG-O 2.77Å; D76-T78 HydrophobicContact CB-CG2 4.33Å; D76-T78 VanDerWaalsContact CG-CG2 3.4Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 PolarHBondContact O-N 2.87Å; D76-T78 VanDerWaalsContact O-N 3.09Å; D76-T78 WeakPolarHBondContact OD1-CB 3.3Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.4Å; D76-T78 PolarHBondContact OD1-N 2.79Å; D76-T78 VanDerWaalsContact OD1-N 3.08Å; D76-T78 PolarHBondContact OD1-OG1 3.29Å; D76-T78 VanDerWaalsContact OD2-CG2 3.27Å; D76-T78 WeakPolarHBondContact OD2-CG2 3.27Å; D76-T78 PolarHBondContact OD2-OG1 3.34Å | ||
| 79 | G | 72.2 | Confident | 89.6 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 88.4 | 164.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 80 | I | 68.9 | Low | 89.7 | Confident | 149 Ų | 149 | 47.3 Ų | 47.3 | 76% | 0.764 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -74.8 | -30 | -178.9 | -63.5 | 172.3 | 0 | 0 | 0 | 110.9 | ||
| 81 | W | 72 | Confident | 89.7 | Confident | 186 Ų | 186 | 42.8 Ų | 42.8 | 71% | 0.705 | 22% | 0.218 | S | C | * | . | trans | -111.8 | 66.1 | -179.5 | -56.2 | 107.4 | 0 | 0 | 0 | 110.5 | T19 S83 | T19-W81 PolarHBondContact OG1-O 2.65Å; W81-S83 VanDerWaalsContact C-N 3.35Å | ||
| 82 | S | 81 | Confident | 89.6 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | trans | -80.7 | -13.9 | -177.9 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | S21 H75 W84 | S21-S82 WeakPolarHBondContact OG-CB 3.39Å; H75-S82 PolarHBondContact CE1-O 3.23Å; H75-S82 VanDerWaalsContact CE1-O 3.28Å; S82-W84 PolarHBondContact O-N 3.31Å | ||
| 83 | S | 88.4 | Confident | 89.6 | Confident | 43 Ų | 43 | 41 Ų | 41 | 30% | 0.301 | 21% | 0.21 | S | C | . | . | trans | -67.3 | 128.3 | 171.9 | -58.5 | 0 | 0 | 0 | 0 | 109.8 | G18 W81 G110 | G18-S83 VanDerWaalsContact O-O 3.1Å; W81-S83 VanDerWaalsContact C-N 3.35Å; S83-G110 WeakPolarHBondContact OG-CA 3.37Å | ||
| 84 | W | 93.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.2 | -178.7 | -178.3 | 42.9 | 0 | 0 | 0 | 110.4 | V9 T11 T19 V23 F49 V73 S82 L86 W107 I108 | V9-W84 HydrophobicContact CG1-CH2 3.71Å; V9-W84 HydrophobicContact CG1-CZ2 3.54Å; T11-W84 PolarHBondContact OG1-NE1 3.01Å; T19-W84 HydrophobicContact CG2-CB 3.73Å; T19-W84 HydrophobicContact CG2-CD2 4.02Å; T19-W84 HydrophobicContact CG2-CG 3.51Å; V23-W84 HydrophobicContact CG1-CH2 4.03Å; V23-W84 HydrophobicContact CG1-CZ3 3.87Å; V23-W84 HydrophobicContact CG2-CE3 4.33Å; V23-W84 HydrophobicContact CG2-CH2 4.35Å; V23-W84 HydrophobicContact CG2-CZ3 4.09Å; F49-W84 HydrophobicContact CD1-CH2 4.48Å; F49-W84 AromaticContact CD1-CZ2 3.82Å; F49-W84 HydrophobicContact CD1-CZ2 3.82Å; F49-W84 HydrophobicContact CE1-CZ2 4.36Å; F49-W84 HydrophobicContact CG-CZ2 4.35Å; V73-W84 HydrophobicContact CG1-CH2 4.4Å; V73-W84 HydrophobicContact CG1-CZ3 3.76Å; S82-W84 PolarHBondContact O-N 3.31Å; W84-L86 HydrophobicContact CD2-CB 4.18Å; W84-L86 HydrophobicContact CE3-CB 4.1Å; W84-L86 HydrophobicContact CH2-CB 4.11Å; W84-L86 HydrophobicContact CH2-CD1 3.6Å; W84-L86 HydrophobicContact CH2-CD2 3.88Å; W84-L86 HydrophobicContact CH2-CG 4.05Å; W84-L86 HydrophobicContact CZ2-CB 4.17Å; W84-L86 HydrophobicContact CZ2-CD1 3.65Å; W84-L86 HydrophobicContact CZ2-CG 4.34Å; W84-L86 HydrophobicContact CZ3-CB 4.07Å; W84-L86 HydrophobicContact CZ3-CD1 4.34Å; W84-L86 HydrophobicContact CZ3-CD2 3.87Å; W84-L86 HydrophobicContact CZ3-CG 4.31Å; W84-L86 PolarHBondContact O-N 2.78Å; W84-W107 CarbonylContact O-C 3.52Å; W84-W107 WeakPolarHBondContact O-CA 3.34Å; W84-I108 HydrophobicContact CE3-CD1 4.1Å; W84-I108 HydrophobicContact CZ3-CD1 4.22Å; W84-I108 PolarHBondContact N-O 3Å; W84-I108 PolarHBondContact O-N 3.06Å |
| 85 | Y | 93.8 | Very high | 89.5 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 96 | 172.8 | -173 | -94.3 | 0 | 0 | 0 | 109.9 | G12 L14 A17 W107 | G12-Y85 PolarHBondContact N-O 2.82Å; L14-Y85 HydrophobicContact CD1-CD1 4.1Å; L14-Y85 HydrophobicContact CD1-CD2 3.57Å; L14-Y85 HydrophobicContact CD1-CE1 4.06Å; L14-Y85 HydrophobicContact CD1-CE2 3.52Å; L14-Y85 HydrophobicContact CD1-CG 3.85Å; L14-Y85 HydrophobicContact CG-CD1 4.13Å; L14-Y85 HydrophobicContact CG-CD2 4.45Å; L14-Y85 HydrophobicContact CG-CE1 4.16Å; L14-Y85 HydrophobicContact CG-CE2 4.48Å; L14-Y85 HydrophobicContact CG-CG 4.27Å; A17-Y85 PolarHBondContact O-N 2.84Å; Y85-W107 AromaticContact CD2-CD1 3.83Å; Y85-W107 HydrophobicContact CD2-CD2 4.01Å; Y85-W107 AromaticContact CD2-CE2 3.85Å; Y85-W107 HydrophobicContact CD2-CG 4.01Å; Y85-W107 HydrophobicContact CD2-CZ2 4.48Å; Y85-W107 AromaticContact CD2-NE1 3.7Å; Y85-W107 HydrophobicContact CG-CD2 4.46Å |
| 86 | L | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121.5 | 175.9 | 176 | 56.4 | 0 | 0 | 0 | 109.7 | V9 K10 V73 W84 Y88 V89 C104 H105 R106 I108 L123 | V9-L86 HydrophobicContact CG1-CD1 3.77Å; K10-L86 WeakPolarHBondContact O-CD1 3.5Å; V73-L86 HydrophobicContact CB-CD2 4.48Å; V73-L86 HydrophobicContact CG1-CD2 4.09Å; V73-L86 HydrophobicContact CG2-CD2 4.31Å; W84-L86 HydrophobicContact CD2-CB 4.18Å; W84-L86 HydrophobicContact CE3-CB 4.1Å; W84-L86 HydrophobicContact CH2-CB 4.11Å; W84-L86 HydrophobicContact CH2-CD1 3.6Å; W84-L86 HydrophobicContact CH2-CD2 3.88Å; W84-L86 HydrophobicContact CH2-CG 4.05Å; W84-L86 HydrophobicContact CZ2-CB 4.17Å; W84-L86 HydrophobicContact CZ2-CD1 3.65Å; W84-L86 HydrophobicContact CZ2-CG 4.34Å; W84-L86 HydrophobicContact CZ3-CB 4.07Å; W84-L86 HydrophobicContact CZ3-CD1 4.34Å; W84-L86 HydrophobicContact CZ3-CD2 3.87Å; W84-L86 HydrophobicContact CZ3-CG 4.31Å; W84-L86 PolarHBondContact O-N 2.78Å; L86-Y88 WeakPolarHBondContact CD1-O 3.38Å; L86-V89 HydrophobicContact CD1-CG2 3.95Å; L86-V89 HydrophobicContact CD2-CG2 3.94Å; L86-V89 HydrophobicContact CG-CG2 4.48Å; L86-C104 HydrophobicContact CB-CB 4.2Å; L86-C104 HydrophobicContact CD2-CB 3.95Å; L86-C104 HydrophobicContact CG-CB 3.7Å; L86-C104 WeakPolarHBondContact O-CB 3.42Å; L86-H105 WeakPolarHBondContact O-CA 3.48Å; L86-H105 PolarHBondContact O-N 3Å; L86-R106 PolarHBondContact N-O 3.45Å; L86-R106 PolarHBondContact O-N 2.92Å; L86-I108 HydrophobicContact CB-CD1 3.66Å; L86-I108 HydrophobicContact CB-CG1 4.45Å; L86-I108 HydrophobicContact CD2-CD1 3.56Å; L86-I108 HydrophobicContact CG-CD1 4.25Å; L86-L123 HydrophobicContact CD2-CD1 4.17Å |
| 87 | E | 97.4 | Very high | 90 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -60.5 | 175.9 | -163.2 | 179.6 | 144.5 | 0 | 0 | 110.2 | K10 G12 C104 H105 | K10-E87 HydrophobicContact CB-CB 4.26Å; K10-E87 HydrophobicContact CG-CB 3.83Å; K10-E87 HydrophobicContact CG-CG 4.34Å; K10-E87 WeakPolarHBondContact CG-OE2 3.36Å; K10-E87 WeakPolarHBondContact O-CB 3.49Å; K10-E87 PolarHBondContact O-N 2.97Å; G12-E87 WeakPolarHBondContact CA-OE2 3.32Å; E87-C104 WeakPolarHBondContact O-CA 3.37Å; E87-C104 PolarHBondContact O-N 3.35Å; E87-H105 VanDerWaalsContact CG-CE1 3.46Å; E87-H105 WeakPolarHBondContact CG-CE1 3.46Å; E87-H105 PolarHBondContact O-N 3.22Å |
| 88 | Y | 97.9 | Very high | 90.5 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 163.2 | 177.1 | 67.4 | -97.5 | 0 | 0 | 0 | 112 | K10 L86 E90 R101 F102 | K10-Y88 HydrophobicContact CB-CD1 3.61Å; K10-Y88 HydrophobicContact CB-CD2 4.17Å; K10-Y88 HydrophobicContact CB-CE1 3.29Å; K10-Y88 HydrophobicContact CB-CE2 3.88Å; K10-Y88 HydrophobicContact CB-CG 4.05Å; K10-Y88 VanDerWaalsContact CB-CZ 3.43Å; K10-Y88 HydrophobicContact CD-CE1 4.44Å; K10-Y88 HydrophobicContact CG-CD1 3.95Å; K10-Y88 HydrophobicContact CG-CE1 3.5Å; K10-Y88 VanDerWaalsContact CG-CE1 3.5Å; K10-Y88 PolarHBondContact N-O 3.47Å; L86-Y88 WeakPolarHBondContact CD1-O 3.38Å; Y88-E90 HydrophobicContact CD2-CG 3.9Å; Y88-E90 HydrophobicContact CE2-CG 3.86Å; Y88-R101 VanDerWaalsContact CE2-NH1 3.29Å; Y88-F102 WeakPolarHBondContact CA-O 3.06Å |
| 89 | V | 98.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.9 | 164.7 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | I7 T8 V9 L71 V73 L86 V91 F102 L123 | I7-V89 HydrophobicContact CG2-CG1 3.84Å; T8-V89 CarbonylContact O-C 3.54Å; T8-V89 WeakPolarHBondContact O-CA 3.4Å; V9-V89 HydrophobicContact CG1-CG2 4.43Å; V9-V89 HydrophobicContact CG2-CG1 4.24Å; V9-V89 HydrophobicContact CG2-CG2 4.36Å; L71-V89 HydrophobicContact CD2-CB 3.61Å; L71-V89 HydrophobicContact CD2-CG1 3.53Å; L71-V89 HydrophobicContact CD2-CG2 4.05Å; V73-V89 HydrophobicContact CG2-CG2 4.31Å; L86-V89 HydrophobicContact CD1-CG2 3.95Å; L86-V89 HydrophobicContact CD2-CG2 3.94Å; L86-V89 HydrophobicContact CG-CG2 4.48Å; V89-V91 HydrophobicContact CG1-CG2 4.29Å; V89-F102 HydrophobicContact CB-CB 4.45Å; V89-F102 PolarHBondContact N-O 2.96Å; V89-F102 WeakPolarHBondContact O-CA 3.39Å; V89-F102 WeakPolarHBondContact O-CB 3.3Å; V89-F102 PolarHBondContact O-N 2.92Å; V89-L123 HydrophobicContact CG2-CD1 4.37Å |
| 90 | E | 97.7 | Very high | 92.4 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.7 | 167.4 | -71.9 | 170.5 | 155.8 | 0 | 0 | 109.4 | I7 T8 Y88 T99 F100 R101 | I7-E90 CarbonylContact C-O 3.46Å; I7-E90 WeakPolarHBondContact CA-O 3.49Å; T8-E90 PolarHBondContact N-O 3.46Å; T8-E90 PolarHBondContact O-N 3.28Å; Y88-E90 HydrophobicContact CD2-CG 3.9Å; Y88-E90 HydrophobicContact CE2-CG 3.86Å; E90-T99 HydrophobicContact CB-CG2 4.04Å; E90-T99 HydrophobicContact CG-CG2 4.33Å; E90-F100 CarbonylContact C-O 3.45Å; E90-F100 VanDerWaalsContact CA-O 3.32Å; E90-F100 WeakPolarHBondContact CA-O 3.5Å; E90-R101 HydrophobicContact CG-CB 4.13Å; E90-R101 HydrophobicContact CG-CG 3.87Å; E90-R101 IonicContact OE1-CZ 3.81Å; E90-R101 IonicContact OE1-NH1 2.65Å; E90-R101 PolarHBondContact OE1-NH1 3.49Å |
| 91 | V | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.2 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | Y5 M27 L68 L71 V89 T99 F100 F102 | Y5-V91 HydrophobicContact CD1-CG1 3.75Å; Y5-V91 HydrophobicContact CE1-CG1 4.33Å; M27-V91 HydrophobicContact SD-CG1 3.64Å; M27-V91 HydrophobicContact SD-CG2 4.36Å; L68-V91 HydrophobicContact CD1-CB 3.72Å; L68-V91 HydrophobicContact CD1-CG1 3.49Å; L68-V91 VanDerWaalsContact CD1-CG1 3.49Å; L68-V91 HydrophobicContact CD1-CG2 4.3Å; L71-V91 HydrophobicContact CD1-CG2 4.33Å; L71-V91 HydrophobicContact CD2-CG2 4.38Å; V89-V91 HydrophobicContact CG1-CG2 4.29Å; V91-T99 WeakPolarHBondContact O-CA 3.3Å; V91-F100 PolarHBondContact N-O 3.04Å; V91-F100 WeakPolarHBondContact O-CD2 3.45Å; V91-F100 PolarHBondContact O-N 3.45Å; V91-F102 HydrophobicContact CB-CE2 4.37Å; V91-F102 HydrophobicContact CG2-CD2 4.37Å; V91-F102 HydrophobicContact CG2-CE2 4.09Å |
| 92 | S | 96.6 | Very high | 95 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.3 | 176.7 | -44.4 | 0 | 0 | 0 | 0 | 110.1 | Y5 L6 T98 T99 | Y5-S92 WeakPolarHBondContact CA-O 3.43Å; L6-S92 PolarHBondContact N-O 2.84Å; L6-S92 PolarHBondContact O-N 2.88Å; S92-T98 WeakPolarHBondContact CA-O 3.35Å; S92-T99 WeakPolarHBondContact CB-OG1 3.41Å; S92-T99 WeakPolarHBondContact OG-CG2 3.5Å; S92-T99 PolarHBondContact OG-OG1 2.64Å |
| 93 | D | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.4 | 174.9 | -170.1 | -46.7 | 0 | 0 | 0 | 108.7 | T3 Y5 V95 L96 Q97 T98 F100 | T3-D93 WeakPolarHBondContact CB-OD1 3.41Å; T3-D93 WeakPolarHBondContact CG2-OD2 3.4Å; T3-D93 PolarHBondContact OG1-OD1 3.34Å; Y5-D93 HydrophobicContact CD1-CB 4.16Å; Y5-D93 HydrophobicContact CE1-CB 3.67Å; Y5-D93 WeakPolarHBondContact CE1-OD2 3.39Å; Y5-D93 VanDerWaalsContact CZ-OD2 3.31Å; Y5-D93 PolarHBondContact OH-OD2 3.12Å; D93-V95 PolarHBondContact OD1-N 2.84Å; D93-V95 VanDerWaalsContact OD1-N 3.12Å; D93-L96 HydrophobicContact CB-CB 4Å; D93-L96 HydrophobicContact CB-CD1 4.36Å; D93-L96 HydrophobicContact CB-CG 4.35Å; D93-L96 PolarHBondContact OD1-N 3.4Å; D93-Q97 WeakPolarHBondContact O-CA 3.48Å; D93-Q97 PolarHBondContact O-N 2.71Å; D93-T98 PolarHBondContact N-O 3.38Å; D93-T98 PolarHBondContact O-N 3.14Å; D93-F100 HydrophobicContact CB-CE2 4.37Å |
| 94 | I | 94.4 | Very high | 96.1 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 23% | 0.226 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -35.9 | -173.3 | -58.8 | -57 | 0 | 0 | 0 | 112 | D4 Q97 T133 I135 | D4-I94 HydrophobicContact CB-CB 4.42Å; D4-I94 HydrophobicContact CB-CG1 4.04Å; D4-I94 VanDerWaalsContact O-CG1 3.24Å; D4-I94 WeakPolarHBondContact O-CG1 3.1Å; D4-I94 PolarHBondContact O-N 3.26Å; D4-I94 VanDerWaalsContact O-N 3.14Å; I94-Q97 WeakPolarHBondContact O-CG 2.9Å; I94-Q97 PolarHBondContact O-N 3.39Å; I94-T133 HydrophobicContact CD1-CG2 3.42Å; I94-T133 VanDerWaalsContact CD1-CG2 3.42Å; I94-T133 WeakPolarHBondContact CD1-O 3.32Å; I94-I135 HydrophobicContact CD1-CD1 4.2Å; I94-I135 HydrophobicContact CD1-CG1 3.64Å; I94-I135 HydrophobicContact CG1-CD1 3.86Å; I94-I135 HydrophobicContact CG1-CG1 3.86Å |
| 95 | V | 93.5 | Very high | 96.1 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -42.5 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111 | M1 T3 D93 Q97 | M1-V95 HydrophobicContact CG-CG1 4.33Å; M1-V95 HydrophobicContact SD-CG1 3.62Å; T3-V95 WeakPolarHBondContact OG1-CB 3.26Å; T3-V95 WeakPolarHBondContact OG1-CG2 3.37Å; T3-V95 PolarHBondContact OG1-N 2.81Å; T3-V95 VanDerWaalsContact OG1-N 3.12Å; D93-V95 PolarHBondContact OD1-N 2.84Å; D93-V95 VanDerWaalsContact OD1-N 3.12Å; V95-Q97 PolarHBondContact O-N 3.49Å |
| 96 | L | 93.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.6 | 175.9 | -61.3 | -180 | 0 | 0 | 0 | 113.2 | D93 T98 | D93-L96 HydrophobicContact CB-CB 4Å; D93-L96 HydrophobicContact CB-CD1 4.36Å; D93-L96 HydrophobicContact CB-CG 4.35Å; D93-L96 PolarHBondContact OD1-N 3.4Å; L96-T98 PolarHBondContact O-N 3.17Å; L96-T98 VanDerWaalsContact O-N 3.13Å; L96-T98 PolarHBondContact O-OG1 2.8Å |
| 97 | Q | 94.5 | Very high | 95.8 | Very high | 105 Ų | 105 | 41.1 Ų | 41.1 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 43 | -174.1 | -61.1 | -173.5 | -5.3 | 0 | 0 | 111.8 | D93 I94 V95 I130 G131 | D93-Q97 WeakPolarHBondContact O-CA 3.48Å; D93-Q97 PolarHBondContact O-N 2.71Å; I94-Q97 WeakPolarHBondContact O-CG 2.9Å; I94-Q97 PolarHBondContact O-N 3.39Å; V95-Q97 PolarHBondContact O-N 3.49Å; Q97-I130 WeakPolarHBondContact O-CA 3.34Å; Q97-G131 CarbonylContact C-O 3.51Å; Q97-G131 WeakPolarHBondContact CB-O 2.99Å; Q97-G131 PolarHBondContact O-N 3.28Å |
| 98 | T | 95.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.6 | -173.8 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | S92 D93 L96 F100 E128 T129 I130 | S92-T98 WeakPolarHBondContact CA-O 3.35Å; D93-T98 PolarHBondContact N-O 3.38Å; D93-T98 PolarHBondContact O-N 3.14Å; L96-T98 PolarHBondContact O-N 3.17Å; L96-T98 VanDerWaalsContact O-N 3.13Å; L96-T98 PolarHBondContact O-OG1 2.8Å; T98-F100 HydrophobicContact CG2-CD1 4.43Å; T98-F100 HydrophobicContact CG2-CD2 4.31Å; T98-F100 HydrophobicContact CG2-CE1 3.83Å; T98-F100 HydrophobicContact CG2-CE2 3.75Å; T98-F100 HydrophobicContact CG2-CZ 3.46Å; T98-F100 VanDerWaalsContact CG2-CZ 3.46Å; T98-E128 HydrophobicContact CG2-CB 4.33Å; T98-T129 WeakPolarHBondContact CA-O 3.47Å; T98-I130 HydrophobicContact CG2-CG1 4.48Å |
| 99 | T | 96.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.5 | 172 | -59 | 0 | 0 | 0 | 0 | 109.7 | E90 V91 S92 E128 T129 T133 | E90-T99 HydrophobicContact CB-CG2 4.04Å; E90-T99 HydrophobicContact CG-CG2 4.33Å; V91-T99 WeakPolarHBondContact O-CA 3.3Å; S92-T99 WeakPolarHBondContact CB-OG1 3.41Å; S92-T99 WeakPolarHBondContact OG-CG2 3.5Å; S92-T99 PolarHBondContact OG-OG1 2.64Å; T99-E128 WeakPolarHBondContact O-CA 3.31Å; T99-T129 PolarHBondContact N-O 3.09Å; T99-T129 PolarHBondContact O-N 2.92Å; T99-T133 PolarHBondContact OG1-OG1 2.99Å |
| 100 | F | 97.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.5 | 177.6 | -57.6 | -88.6 | 0 | 0 | 0 | 109.5 | R67 L68 E90 V91 D93 T98 F102 E128 | R67-F100 HydrophobicContact CG-CE1 3.88Å; L68-F100 HydrophobicContact CB-CB 4.25Å; L68-F100 HydrophobicContact CB-CD1 3.86Å; L68-F100 HydrophobicContact CB-CD2 4.12Å; L68-F100 HydrophobicContact CB-CE1 4.32Å; L68-F100 HydrophobicContact CB-CE2 4.5Å; L68-F100 HydrophobicContact CB-CG 3.8Å; L68-F100 HydrophobicContact CD1-CB 4.27Å; L68-F100 HydrophobicContact CD1-CD2 3.72Å; L68-F100 HydrophobicContact CD1-CE2 4.33Å; L68-F100 HydrophobicContact CD1-CG 4.05Å; L68-F100 HydrophobicContact CG-CD1 4.47Å; L68-F100 HydrophobicContact CG-CD2 3.87Å; L68-F100 HydrophobicContact CG-CE2 4.1Å; L68-F100 HydrophobicContact CG-CG 4.1Å; E90-F100 CarbonylContact C-O 3.45Å; E90-F100 VanDerWaalsContact CA-O 3.32Å; E90-F100 WeakPolarHBondContact CA-O 3.5Å; V91-F100 PolarHBondContact N-O 3.04Å; V91-F100 WeakPolarHBondContact O-CD2 3.45Å; V91-F100 PolarHBondContact O-N 3.45Å; D93-F100 HydrophobicContact CB-CE2 4.37Å; T98-F100 HydrophobicContact CG2-CD1 4.43Å; T98-F100 HydrophobicContact CG2-CD2 4.31Å; T98-F100 HydrophobicContact CG2-CE1 3.83Å; T98-F100 HydrophobicContact CG2-CE2 3.75Å; T98-F100 HydrophobicContact CG2-CZ 3.46Å; T98-F100 VanDerWaalsContact CG2-CZ 3.46Å; F100-F102 HydrophobicContact CB-CE2 3.6Å; F100-F102 HydrophobicContact CB-CZ 4.04Å; F100-E128 HydrophobicContact CD1-CB 4.49Å; F100-E128 HydrophobicContact CD1-CG 3.55Å; F100-E128 HydrophobicContact CE1-CG 3.81Å |
| 101 | R | 97.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 19% | 0.185 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.2 | 178 | -167.8 | 179.2 | 177.1 | 90.5 | -3.5 | 112.1 | Y88 E90 C125 T126 E127 | Y88-R101 VanDerWaalsContact CE2-NH1 3.29Å; E90-R101 HydrophobicContact CG-CB 4.13Å; E90-R101 HydrophobicContact CG-CG 3.87Å; E90-R101 IonicContact OE1-CZ 3.81Å; E90-R101 IonicContact OE1-NH1 2.65Å; E90-R101 PolarHBondContact OE1-NH1 3.49Å; R101-C125 WeakPolarHBondContact O-CA 3.48Å; R101-T126 PolarHBondContact O-N 3.45Å; R101-T126 VanDerWaalsContact O-N 3.1Å; R101-E127 HydrophobicContact CB-CG 3.46Å; R101-E127 VanDerWaalsContact CB-CG 3.46Å; R101-E127 VanDerWaalsContact CD-CD 3.44Å; R101-E127 WeakPolarHBondContact CD-OE1 3.21Å; R101-E127 HydrophobicContact CG-CG 4.25Å; R101-E127 PolarHBondContact N-O 2.61Å; R101-E127 IonicContact NE-OE1 3.84Å |
| 102 | F | 98 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 86.6 | -178.6 | -61.4 | -89.1 | 0 | 0 | 0 | 109.4 | L68 L71 Y88 V89 V91 F100 L123 K124 C125 | L68-F102 HydrophobicContact CB-CE2 4.48Å; L68-F102 HydrophobicContact CB-CZ 3.81Å; L68-F102 HydrophobicContact CD1-CE2 4.41Å; L68-F102 HydrophobicContact CD1-CZ 4.44Å; L71-F102 HydrophobicContact CB-CD1 3.62Å; L71-F102 HydrophobicContact CB-CD2 4.18Å; L71-F102 HydrophobicContact CB-CE1 3.78Å; L71-F102 HydrophobicContact CB-CE2 4.32Å; L71-F102 HydrophobicContact CB-CG 3.84Å; L71-F102 HydrophobicContact CB-CZ 4.14Å; L71-F102 HydrophobicContact CD2-CB 4.26Å; L71-F102 HydrophobicContact CD2-CD2 4Å; L71-F102 HydrophobicContact CD2-CG 4.06Å; Y88-F102 WeakPolarHBondContact CA-O 3.06Å; V89-F102 HydrophobicContact CB-CB 4.45Å; V89-F102 PolarHBondContact N-O 2.96Å; V89-F102 WeakPolarHBondContact O-CA 3.39Å; V89-F102 WeakPolarHBondContact O-CB 3.3Å; V89-F102 PolarHBondContact O-N 2.92Å; V91-F102 HydrophobicContact CB-CE2 4.37Å; V91-F102 HydrophobicContact CG2-CD2 4.37Å; V91-F102 HydrophobicContact CG2-CE2 4.09Å; F100-F102 HydrophobicContact CB-CE2 3.6Å; F100-F102 HydrophobicContact CB-CZ 4.04Å; F102-L123 HydrophobicContact CB-CB 3.87Å; F102-L123 HydrophobicContact CB-CD1 3.95Å; F102-L123 HydrophobicContact CD1-CB 4.1Å; F102-L123 HydrophobicContact CG-CB 4.41Å; F102-K124 VanDerWaalsContact CD1-C 3.49Å; F102-C125 HydrophobicContact CD1-CB 4.14Å; F102-C125 HydrophobicContact CE1-CB 3.53Å; F102-C125 HydrophobicContact CZ-CB 3.84Å |
| 103 | P | 97.2 | Very high | 86.8 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 144.2 | 174 | 27.7 | -33.3 | 0 | 0 | 0 | 110.7 | T126 | P103-T126 WeakPolarHBondContact CD-OG1 3.32Å; P103-T126 HydrophobicContact CG-CG2 3.52Å; P103-T126 WeakPolarHBondContact CG-OG1 3.28Å |
| 104 | C | 95.3 | Very high | 84.6 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -56.3 | -178.3 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | L86 E87 R106 L123 | L86-C104 HydrophobicContact CB-CB 4.2Å; L86-C104 HydrophobicContact CD2-CB 3.95Å; L86-C104 HydrophobicContact CG-CB 3.7Å; L86-C104 WeakPolarHBondContact O-CB 3.42Å; E87-C104 WeakPolarHBondContact O-CA 3.37Å; E87-C104 PolarHBondContact O-N 3.35Å; C104-R106 PolarHBondContact O-N 3.01Å; C104-R106 WeakPolarHBondContact SG-CG 3.32Å; C104-R106 PolarHBondContact SG-NE 2.98Å; C104-L123 HydrophobicContact CB-CD1 4.14Å; C104-L123 HydrophobicContact CB-CD2 3.58Å |
| 105 | H | 93.8 | Very high | 82.8 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.8 | 43.6 | 179.6 | -58 | -75.4 | 0 | 0 | 0 | 114.2 | L86 E87 | L86-H105 WeakPolarHBondContact O-CA 3.48Å; L86-H105 PolarHBondContact O-N 3Å; E87-H105 VanDerWaalsContact CG-CE1 3.46Å; E87-H105 WeakPolarHBondContact CG-CE1 3.46Å; E87-H105 PolarHBondContact O-N 3.22Å |
| 106 | R | 92.2 | Very high | 81.4 | Confident | 98 Ų | 98 | 75.7 Ų | 75.7 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.9 | -179.7 | 59.1 | 176.9 | 161.9 | -166.1 | -10.2 | 111.6 | L86 C104 I108 V121 V122 | L86-R106 PolarHBondContact N-O 3.45Å; L86-R106 PolarHBondContact O-N 2.92Å; C104-R106 PolarHBondContact O-N 3.01Å; C104-R106 WeakPolarHBondContact SG-CG 3.32Å; C104-R106 PolarHBondContact SG-NE 2.98Å; R106-I108 HydrophobicContact CG-CG1 4.49Å; R106-V121 VanDerWaalsContact CZ-CB 3.47Å; R106-V121 VanDerWaalsContact NH2-CB 3.31Å; R106-V122 PolarHBondContact NH2-O 2.97Å; R106-V122 VanDerWaalsContact NH2-O 3.15Å |
| 107 | W | 90.5 | Very high | 80.1 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 133.8 | 164.6 | -66 | 96.1 | 0 | 0 | 0 | 110.3 | L14 G16 W84 Y85 I117 | L14-W107 HydrophobicContact CB-CZ2 4.05Å; L14-W107 HydrophobicContact CD1-CZ2 4.11Å; G16-W107 WeakPolarHBondContact O-CH2 3.42Å; G16-W107 WeakPolarHBondContact O-CZ3 3.17Å; W84-W107 CarbonylContact O-C 3.52Å; W84-W107 WeakPolarHBondContact O-CA 3.34Å; Y85-W107 AromaticContact CD2-CD1 3.83Å; Y85-W107 HydrophobicContact CD2-CD2 4.01Å; Y85-W107 AromaticContact CD2-CE2 3.85Å; Y85-W107 HydrophobicContact CD2-CG 4.01Å; Y85-W107 HydrophobicContact CD2-CZ2 4.48Å; Y85-W107 AromaticContact CD2-NE1 3.7Å; Y85-W107 HydrophobicContact CG-CD2 4.46Å; W107-I117 HydrophobicContact CB-CD1 3.78Å; W107-I117 WeakPolarHBondContact O-CG2 3.41Å |
| 108 | I | 89 | Confident | 79.2 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.1 | 171.6 | -53.6 | 172 | 0 | 0 | 0 | 105.8 | V73 W84 L86 R106 V121 | V73-I108 HydrophobicContact CG1-CD1 4.46Å; W84-I108 HydrophobicContact CE3-CD1 4.1Å; W84-I108 HydrophobicContact CZ3-CD1 4.22Å; W84-I108 PolarHBondContact N-O 3Å; W84-I108 PolarHBondContact O-N 3.06Å; L86-I108 HydrophobicContact CB-CD1 3.66Å; L86-I108 HydrophobicContact CB-CG1 4.45Å; L86-I108 HydrophobicContact CD2-CD1 3.56Å; L86-I108 HydrophobicContact CG-CD1 4.25Å; R106-I108 HydrophobicContact CG-CG1 4.49Å; I108-V121 HydrophobicContact CD1-CG1 4.34Å; I108-V121 HydrophobicContact CD1-CG2 3.49Å; I108-V121 VanDerWaalsContact CD1-CG2 3.49Å; I108-V121 HydrophobicContact CG1-CG1 3.9Å; I108-V121 HydrophobicContact CG1-CG2 4.01Å; I108-V121 HydrophobicContact CG2-CG1 4.2Å |
| 109 | G | 80.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | 74.3 | 168.2 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | H75 I117 P118 | H75-G109 WeakPolarHBondContact CE1-CA 3.48Å; H75-G109 WeakPolarHBondContact NE2-CA 3.27Å; H75-G109 PolarHBondContact NE2-N 2.87Å; G109-I117 WeakPolarHBondContact O-CB 3.25Å; G109-I117 WeakPolarHBondContact O-CD1 3.32Å; G109-P118 PolarHBondContact N-O 3.2Å | ||
| 110 | G | 69.4 | Low | 77.8 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | trans | 124.6 | 133.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N77 S83 | N77-G110 PolarHBondContact OD1-N 3.17Å; S83-G110 WeakPolarHBondContact OG-CA 3.37Å | ||
| 111 | G | 50.6 | Low | 77.4 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | trans | -169.3 | 142.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 112 | R | 52.7 | Low | 77.2 | Confident | 253 Ų | 253 | 77.3 Ų | 77.3 | 96% | 0.955 | 40% | 0.398 | S | S | * | . | S | Bend | cis | -132.5 | 32.2 | 28.7 | -74.1 | -175.7 | 167.5 | -166.1 | -2 | 114.3 | ||
| 113 | L | 54.6 | Low | 77 | Confident | 177 Ų | 177 | 77.5 Ų | 77.5 | 93% | 0.927 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -115.7 | -25.9 | 175.2 | -71.2 | 172.6 | 0 | 0 | 0 | 115 | ||
| 114 | C | 49.5 | Very low | 76.9 | Confident | 104 Ų | 104 | 83 Ų | 83 | 70% | 0.703 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -145 | 89.7 | -175.2 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 115 | R | 57.7 | Low | 76.7 | Confident | 225 Ų | 225 | 83.5 Ų | 83.5 | 85% | 0.849 | 42% | 0.422 | S | S | * | . | trans | 54 | 150.3 | 176 | -72.7 | 179 | 172 | 177 | -2.4 | 116.2 | I117 | R115-I117 PolarHBondContact O-N 2.8Š| ||
| 116 | I | 62.6 | Low | 76.7 | Confident | 166 Ų | 166 | 83.1 Ų | 83.1 | 85% | 0.851 | 43% | 0.427 | S | S | * | . | trans | -76.1 | 108.9 | 171.6 | -59.8 | 175.2 | 0 | 0 | 0 | 106.9 | ||||
| 117 | I | 67.2 | Low | 76.6 | Confident | 43 Ų | 43 | 83 Ų | 83 | 22% | 0.221 | 43% | 0.431 | C | S | . | . | trans | -95 | 134.5 | 173.1 | -59.2 | 177.2 | 0 | 0 | 0 | 107.5 | W107 G109 R115 S119 | W107-I117 HydrophobicContact CB-CD1 3.78Å; W107-I117 WeakPolarHBondContact O-CG2 3.41Å; G109-I117 WeakPolarHBondContact O-CB 3.25Å; G109-I117 WeakPolarHBondContact O-CD1 3.32Å; R115-I117 PolarHBondContact O-N 2.8Å; I117-S119 PolarHBondContact O-N 3.42Å | ||
| 118 | P | 74.6 | Confident | 76.7 | Confident | 89 Ų | 89 | 81.8 Ų | 81.8 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | trans | -52.5 | 136.2 | 175.9 | -26.6 | 34.8 | 0 | 0 | 0 | 111.4 | G109 G120 | G109-P118 PolarHBondContact N-O 3.2Å; P118-G120 PolarHBondContact O-N 3.14Å | ||
| 119 | S | 80 | Confident | 76.9 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 34% | 0.336 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -74.6 | 8.8 | -179.9 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | R74 H75 N77 I117 | R74-S119 CarbonylContact C-O 3.58Å; R74-S119 WeakPolarHBondContact CA-O 3.43Å; H75-S119 VanDerWaalsContact CD2-C 3.46Å; H75-S119 PolarHBondContact CD2-O 2.78Å; H75-S119 PolarHBondContact N-O 2.75Å; H75-S119 VanDerWaalsContact NE2-CA 3.29Å; H75-S119 WeakPolarHBondContact NE2-CA 3.31Å; H75-S119 VanDerWaalsContact O-O 3.11Å; N77-S119 VanDerWaalsContact ND2-CB 3.27Å; N77-S119 WeakPolarHBondContact ND2-CB 3.36Å; I117-S119 PolarHBondContact O-N 3.42Å |
| 120 | G | 83.6 | Confident | 77.4 | Confident | 24 Ų | 24 | 92.5 Ų | 92.5 | 25% | 0.247 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 154 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V73 P118 | V73-G120 CarbonylContact O-C 3.57Å; V73-G120 WeakPolarHBondContact O-CA 3.21Å; P118-G120 PolarHBondContact O-N 3.14Å |
| 121 | V | 89.3 | Confident | 78.2 | Confident | 15 Ų | 15 | 93.3 Ų | 93.3 | 9% | 0.091 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151 | -178 | -61 | 0 | 0 | 0 | 0 | 110.5 | N72 V73 R106 I108 L123 | N72-V121 WeakPolarHBondContact CA-O 3.43Å; N72-V121 PolarHBondContact ND2-O 2.87Å; V73-V121 HydrophobicContact CB-CG2 4.2Å; V73-V121 PolarHBondContact N-O 3.42Å; V73-V121 PolarHBondContact O-N 2.69Å; R106-V121 VanDerWaalsContact CZ-CB 3.47Å; R106-V121 VanDerWaalsContact NH2-CB 3.31Å; I108-V121 HydrophobicContact CD1-CG1 4.34Å; I108-V121 HydrophobicContact CD1-CG2 3.49Å; I108-V121 VanDerWaalsContact CD1-CG2 3.49Å; I108-V121 HydrophobicContact CG1-CG1 3.9Å; I108-V121 HydrophobicContact CG1-CG2 4.01Å; I108-V121 HydrophobicContact CG2-CG1 4.2Å; V121-L123 HydrophobicContact CG2-CD2 4.13Å; V121-L123 HydrophobicContact CG2-CG 4.31Å |
| 122 | V | 93.9 | Very high | 79.5 | Confident | 81 Ų | 81 | 96.1 Ų | 96.1 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.6 | 169 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | K70 N72 R106 | K70-V122 HydrophobicContact CB-CG1 4Å; K70-V122 HydrophobicContact CD-CG1 4.16Å; K70-V122 HydrophobicContact CG-CG1 4.37Å; N72-V122 HydrophobicContact CB-CG2 4.41Å; R106-V122 PolarHBondContact NH2-O 2.97Å; R106-V122 VanDerWaalsContact NH2-O 3.15Å |
| 123 | L | 94 | Very high | 80.7 | Confident | 3 Ų | 3 | 85.1 Ų | 85.1 | 2% | 0.016 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 148.7 | 176 | -54.3 | 173.7 | 0 | 0 | 0 | 109.2 | K70 L71 V73 L86 V89 F102 C104 V121 | K70-L123 CarbonylContact C-O 3.58Å; K70-L123 WeakPolarHBondContact CA-O 3.43Å; L71-L123 HydrophobicContact CB-CB 4.38Å; L71-L123 HydrophobicContact CD2-CD1 4.43Å; L71-L123 PolarHBondContact N-O 2.81Å; L71-L123 PolarHBondContact O-N 3.42Å; V73-L123 HydrophobicContact CG2-CD1 3.79Å; V73-L123 HydrophobicContact CG2-CG 4.48Å; L86-L123 HydrophobicContact CD2-CD1 4.17Å; V89-L123 HydrophobicContact CG2-CD1 4.37Å; F102-L123 HydrophobicContact CB-CB 3.87Å; F102-L123 HydrophobicContact CB-CD1 3.95Å; F102-L123 HydrophobicContact CD1-CB 4.1Å; F102-L123 HydrophobicContact CG-CB 4.41Å; C104-L123 HydrophobicContact CB-CD1 4.14Å; C104-L123 HydrophobicContact CB-CD2 3.58Å; V121-L123 HydrophobicContact CG2-CD2 4.13Å; V121-L123 HydrophobicContact CG2-CG 4.31Å |
| 124 | K | 95.3 | Very high | 81.5 | Confident | 155 Ų | 155 | 87 Ų | 87 | 67% | 0.674 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.2 | 173.5 | -67.3 | -177.5 | 179.7 | 178.6 | 0 | 108.6 | F102 | F102-K124 VanDerWaalsContact CD1-C 3.49Å |
| 125 | C | 90.6 | Very high | 82.7 | Confident | 28 Ų | 28 | 83.8 Ų | 83.8 | 19% | 0.189 | 44% | 0.437 | C | S | . | . | trans | -66.2 | 134.7 | 172 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | R69 R101 F102 E127 | R69-C125 PolarHBondContact O-N 2.86Å; R101-C125 WeakPolarHBondContact O-CA 3.48Å; F102-C125 HydrophobicContact CD1-CB 4.14Å; F102-C125 HydrophobicContact CE1-CB 3.53Å; F102-C125 HydrophobicContact CZ-CB 3.84Å; C125-E127 PolarHBondContact SG-O 3.24Å | ||
| 126 | T | 92.3 | Very high | 83.2 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | trans | -112.1 | -27.7 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | R101 P103 | R101-T126 PolarHBondContact O-N 3.45Å; R101-T126 VanDerWaalsContact O-N 3.1Å; P103-T126 WeakPolarHBondContact CD-OG1 3.32Å; P103-T126 HydrophobicContact CG-CG2 3.52Å; P103-T126 WeakPolarHBondContact CG-OG1 3.28Å | ||
| 127 | E | 91.8 | Very high | 83.1 | Confident | 95 Ų | 95 | 78.2 Ų | 78.2 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.6 | -178.3 | 59.1 | -179.7 | -138.3 | 0 | 0 | 110.8 | R101 C125 | R101-E127 HydrophobicContact CB-CG 3.46Å; R101-E127 VanDerWaalsContact CB-CG 3.46Å; R101-E127 VanDerWaalsContact CD-CD 3.44Å; R101-E127 WeakPolarHBondContact CD-OE1 3.21Å; R101-E127 HydrophobicContact CG-CG 4.25Å; R101-E127 PolarHBondContact N-O 2.61Å; R101-E127 IonicContact NE-OE1 3.84Å; C125-E127 PolarHBondContact SG-O 3.24Å |
| 128 | E | 92.4 | Very high | 82.3 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.2 | -178.4 | -63.9 | 175.8 | -148.9 | 0 | 0 | 107.8 | R67 T98 T99 F100 | R67-E128 IonicContact CZ-OE1 3.29Å; R67-E128 IonicContact CZ-OE2 2.77Å; R67-E128 VanDerWaalsContact CZ-OE2 3.3Å; R67-E128 IonicContact NE-OE1 3.5Å; R67-E128 PolarHBondContact NE-OE1 2.88Å; R67-E128 IonicContact NE-OE2 3.57Å; R67-E128 PolarHBondContact NE-OE2 3.38Å; R67-E128 VanDerWaalsContact NH2-CD 3.26Å; R67-E128 IonicContact NH2-OE1 2.83Å; R67-E128 PolarHBondContact NH2-OE1 3Å; R67-E128 IonicContact NH2-OE2 3.61Å; R67-E128 PolarHBondContact NH2-OE2 2.77Å; T98-E128 HydrophobicContact CG2-CB 4.33Å; T99-E128 WeakPolarHBondContact O-CA 3.31Å; F100-E128 HydrophobicContact CD1-CB 4.49Å; F100-E128 HydrophobicContact CD1-CG 3.55Å; F100-E128 HydrophobicContact CE1-CG 3.81Å |
| 129 | T | 92.8 | Very high | 80.9 | Confident | 86 Ų | 86 | 84 Ų | 84 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.7 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 108.5 | T98 T99 | T98-T129 WeakPolarHBondContact CA-O 3.47Å; T99-T129 PolarHBondContact N-O 3.09Å; T99-T129 PolarHBondContact O-N 2.92Å |
| 130 | I | 91.2 | Very high | 80.9 | Confident | 140 Ų | 140 | 85.9 Ų | 85.9 | 72% | 0.718 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.2 | 175.2 | -59.6 | 169.9 | 0 | 0 | 0 | 108.1 | Q97 T98 | Q97-I130 WeakPolarHBondContact O-CA 3.34Å; T98-I130 HydrophobicContact CG2-CG1 4.48Å |
| 131 | G | 85.9 | Confident | 80.8 | Confident | 23 Ų | 23 | 89.1 Ų | 89.1 | 24% | 0.237 | 47% | 0.467 | C | S | . | . | S | Bend | trans | 176 | 162.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q97 T133 | Q97-G131 CarbonylContact C-O 3.51Å; Q97-G131 WeakPolarHBondContact CB-O 2.99Å; Q97-G131 PolarHBondContact O-N 3.28Å; G131-T133 PolarHBondContact O-N 3.32Å |
| 132 | P | 78.5 | Confident | 80.3 | Confident | 107 Ų | 107 | 93.2 Ų | 93.2 | 70% | 0.695 | 49% | 0.488 | S | S | * | . | trans | -60 | 108.2 | 179.7 | 25.6 | -33.3 | 0 | 0 | 0 | 109.5 | ||||
| 133 | T | 77.7 | Confident | 79.5 | Confident | 23 Ų | 23 | 93.9 Ų | 93.9 | 14% | 0.141 | 49% | 0.488 | C | S | . | . | trans | -91 | 123.5 | 168.7 | -55.9 | 0 | 0 | 0 | 0 | 107.2 | I94 T99 G131 | I94-T133 HydrophobicContact CD1-CG2 3.42Å; I94-T133 VanDerWaalsContact CD1-CG2 3.42Å; I94-T133 WeakPolarHBondContact CD1-O 3.32Å; T99-T133 PolarHBondContact OG1-OG1 2.99Å; G131-T133 PolarHBondContact O-N 3.32Å | ||
| 134 | R | 71.4 | Confident | 78.6 | Confident | 217 Ų | 217 | 99.6 Ų | 99.6 | 82% | 0.819 | 52% | 0.518 | S | S | * | . | trans | -111.8 | 124.9 | 172 | -66.6 | -176.1 | 177.9 | -179.3 | -0.2 | 108.7 | D136 | R134-D136 PolarHBondContact O-N 3.1Å; R134-D136 VanDerWaalsContact O-N 3.17Å | ||
| 135 | I | 73.2 | Confident | 77.5 | Confident | 35 Ų | 35 | 95.9 Ų | 95.9 | 18% | 0.179 | 51% | 0.507 | C | S | . | . | trans | -71.1 | 107.2 | 158 | -54.5 | -175.1 | 0 | 0 | 0 | 104.8 | D4 L6 V58 I94 Q137 | D4-I135 HydrophobicContact CB-CD1 3.76Å; L6-I135 HydrophobicContact CB-CG1 4.22Å; V58-I135 HydrophobicContact CG1-CD1 3.78Å; V58-I135 HydrophobicContact CG1-CG2 4.37Å; V58-I135 HydrophobicContact CG2-CD1 4.29Å; V58-I135 HydrophobicContact CG2-CG2 3.57Å; I94-I135 HydrophobicContact CD1-CD1 4.2Å; I94-I135 HydrophobicContact CD1-CG1 3.64Å; I94-I135 HydrophobicContact CG1-CD1 3.86Å; I94-I135 HydrophobicContact CG1-CG1 3.86Å; I135-Q137 PolarHBondContact O-N 3.04Å; I135-Q137 VanDerWaalsContact O-N 3.09Å | ||
| 136 | D | 68.2 | Low | 76.6 | Confident | 92 Ų | 92 | 100.8 Ų | 100.8 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | trans | -57 | 119.4 | 167.1 | 178.8 | 14.2 | 0 | 0 | 0 | 107.6 | K43 R134 S138 | K43-D136 PolarHBondContact NZ-O 2.72Å; R134-D136 PolarHBondContact O-N 3.1Å; R134-D136 VanDerWaalsContact O-N 3.17Å; D136-S138 VanDerWaalsContact CG-OG 3.23Å; D136-S138 PolarHBondContact O-N 3.42Å; D136-S138 VanDerWaalsContact OD1-CB 3.31Å; D136-S138 WeakPolarHBondContact OD1-CB 3.08Å; D136-S138 PolarHBondContact OD1-N 3.25Å; D136-S138 PolarHBondContact OD1-OG 2.81Å; D136-S138 PolarHBondContact OD2-OG 2.7Å | ||
| 137 | Q | 61.4 | Low | 75.4 | Confident | 183 Ų | 183 | 101.4 Ų | 101.4 | 86% | 0.855 | 53% | 0.527 | S | S | * | . | trans | -78.8 | -5.3 | 177.7 | -69.7 | -168.7 | -28.1 | 0 | 0 | 112 | I135 I139 | I135-Q137 PolarHBondContact O-N 3.04Å; I135-Q137 VanDerWaalsContact O-N 3.09Å; Q137-I139 PolarHBondContact O-N 3.42Å | ||
| 138 | S | 49.8 | Very low | 74 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | trans | -67.8 | 103 | 173 | 89.1 | 0 | 0 | 0 | 0 | 109.9 | K43 D136 | K43-S138 PolarHBondContact NZ-O 3.14Å; D136-S138 VanDerWaalsContact CG-OG 3.23Å; D136-S138 PolarHBondContact O-N 3.42Å; D136-S138 VanDerWaalsContact OD1-CB 3.31Å; D136-S138 WeakPolarHBondContact OD1-CB 3.08Å; D136-S138 PolarHBondContact OD1-N 3.25Å; D136-S138 PolarHBondContact OD1-OG 2.81Å; D136-S138 PolarHBondContact OD2-OG 2.7Å | ||
| 139 | I | 45.5 | Very low | 72.3 | Confident | 177 Ų | 177 | 105.5 Ų | 105.5 | 91% | 0.908 | 56% | 0.555 | S | S | * | * | trans | -163.4 | 0 | 144.6 | 29.2 | 172.2 | 0 | 0 | 0 | 108 | K43 Q137 | K43-I139 HydrophobicContact CB-CD1 3.99Å; K43-I139 HydrophobicContact CD-CD1 4.11Å; K43-I139 HydrophobicContact CG-CD1 3.75Å; Q137-I139 PolarHBondContact O-N 3.42Å |
Retrieved 139 of 139 residues in 490.5 ms
(Link to these results)