| 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 | 88.5 | Confident | 94.1 | Very high | 173 Ų | 173 | 71.6 Ų | 71.6 | 85% | 0.852 | 42% | 0.422 | S | S | * | . | 0 | 159.8 | 0 | 75.8 | -163.7 | -92.9 | 0 | 0 | 108.7 | F24 | M1-F24 HydrophobicContact CG-CB 3.97Å; M1-F24 HydrophobicContact CG-CD2 3.61Å; M1-F24 HydrophobicContact CG-CG 4.15Å; M1-F24 PolarHBondContact O-N 3.32Å; M1-F24 HydrophobicContact SD-CD2 4.37Å | |||
| 2 | S | 93.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.2 | 174.8 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | V22 | S2-V22 CarbonylContact C-O 3.52Å; S2-V22 WeakPolarHBondContact CA-O 3.47Å; S2-V22 WeakPolarHBondContact CB-O 3.34Å |
| 3 | L | 94.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 73.9 Ų | 73.9 | 45% | 0.45 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.6 | 170.8 | 176.9 | 73.8 | 0 | 0 | 0 | 107.6 | C21 V22 F24 L72 | L3-C21 CarbonylContact O-C 3.52Å; L3-C21 WeakPolarHBondContact O-CA 3.27Å; L3-V22 HydrophobicContact CB-CB 4.41Å; L3-V22 PolarHBondContact N-O 3.27Å; L3-V22 PolarHBondContact O-N 3.29Å; L3-F24 HydrophobicContact CB-CE2 3.75Å; L3-F24 HydrophobicContact CB-CZ 4.2Å; L3-L72 HydrophobicContact CD2-CD2 4.2Å |
| 4 | T | 95.5 | Very high | 93.7 | Very high | 91 Ų | 91 | 78.5 Ų | 78.5 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.9 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | I20 C21 | T4-I20 WeakPolarHBondContact CA-O 3.4Å; T4-C21 HydrophobicContact CG2-CB 4.46Å; T4-C21 PolarHBondContact OG1-SG 3.02Å |
| 5 | G | 94.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 79.3 Ų | 79.3 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | -163.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P19 I20 | G5-P19 WeakPolarHBondContact O-CA 3.38Å; G5-I20 PolarHBondContact N-O 3.36Å; G5-I20 PolarHBondContact O-N 2.97Å; G5-I20 VanDerWaalsContact O-O 3.11Å |
| 6 | T | 95.3 | Very high | 93.7 | Very high | 86 Ų | 86 | 81.3 Ų | 81.3 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.8 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | N17 I18 P19 | T6-N17 HydrophobicContact CG2-CB 4.48Å; T6-I18 CarbonylContact C-O 3.54Å; T6-I18 VanDerWaalsContact CA-O 3.25Å; T6-I18 WeakPolarHBondContact CA-O 3.23Å; T6-P19 HydrophobicContact CG2-CB 4.28Å |
| 7 | I | 94.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 82.5 Ų | 82.5 | 8% | 0.077 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.1 | 170.8 | 52.7 | 166.2 | 0 | 0 | 0 | 109.9 | V9 I18 I20 L76 M79 F83 | I7-V9 HydrophobicContact CD1-CG2 4.22Å; I7-V9 HydrophobicContact CG1-CG2 4.22Å; I7-I18 HydrophobicContact CG1-CB 4.26Å; I7-I18 PolarHBondContact N-O 3.06Å; I7-I18 PolarHBondContact O-N 2.88Å; I7-I20 HydrophobicContact CD1-CD1 4.38Å; I7-I20 HydrophobicContact CD1-CG2 4.21Å; I7-I20 HydrophobicContact CG1-CD1 4.25Å; I7-I20 HydrophobicContact CG1-CG1 4.46Å; I7-I20 HydrophobicContact CG1-CG2 4.07Å; I7-I20 HydrophobicContact CG2-CD1 3.54Å; I7-I20 HydrophobicContact CG2-CG1 4.21Å; I7-L76 HydrophobicContact CG2-CD2 4.21Å; I7-M79 HydrophobicContact CD1-CB 4.02Å; I7-F83 HydrophobicContact CD1-CD2 3.79Å; I7-F83 HydrophobicContact CD1-CE2 3.89Å |
| 8 | P | 95.1 | Very high | 93.8 | Very high | 85 Ų | 85 | 78.6 Ų | 78.6 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.4 | 175 | 30 | -32.8 | 0 | 0 | 0 | 109.8 | T15 | P8-T15 HydrophobicContact CB-CG2 3.88Å |
| 9 | V | 95.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.018 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.6 | -178 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | I7 T15 Y16 I18 A80 F83 G84 | I7-V9 HydrophobicContact CD1-CG2 4.22Å; I7-V9 HydrophobicContact CG1-CG2 4.22Å; V9-T15 CarbonylContact O-C 3.6Å; V9-T15 WeakPolarHBondContact O-CA 3.41Å; V9-Y16 PolarHBondContact N-O 3.08Å; V9-Y16 PolarHBondContact O-N 3.45Å; V9-I18 HydrophobicContact CB-CD1 3.83Å; V9-I18 HydrophobicContact CB-CG1 4.03Å; V9-I18 HydrophobicContact CG1-CD1 4.09Å; V9-I18 HydrophobicContact CG2-CB 4.39Å; V9-I18 HydrophobicContact CG2-CD1 3.69Å; V9-I18 HydrophobicContact CG2-CG1 3.82Å; V9-A80 HydrophobicContact CG2-CB 4.33Å; V9-F83 HydrophobicContact CB-CB 4.46Å; V9-F83 HydrophobicContact CG1-CB 3.74Å; V9-F83 HydrophobicContact CG2-CB 3.95Å; V9-F83 HydrophobicContact CG2-CD2 4.32Å; V9-G84 VanDerWaalsContact CG1-N 3.31Å |
| 10 | V | 94.4 | Very high | 94 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.8 | 175.9 | -177 | 0 | 0 | 0 | 0 | 108.8 | K14 G84 | V10-K14 CarbonylContact C-O 3.49Å; V10-K14 WeakPolarHBondContact CA-O 3.43Å; V10-G84 VanDerWaalsContact O-CA 3.23Å; V10-G84 WeakPolarHBondContact O-CA 3.05Å |
| 11 | F | 93.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 69 Ų | 69 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.9 | 175 | 177.6 | -104.3 | 0 | 0 | 0 | 109.3 | G13 K14 Y16 G84 P87 | F11-G13 PolarHBondContact O-N 3.22Å; F11-G13 VanDerWaalsContact O-N 3.16Å; F11-K14 PolarHBondContact N-O 3.18Å; F11-K14 PolarHBondContact O-N 3.01Å; F11-K14 VanDerWaalsContact O-O 3.11Å; F11-Y16 HydrophobicContact CB-CD2 3.95Å; F11-Y16 HydrophobicContact CB-CE2 4.01Å; F11-Y16 HydrophobicContact CD1-CE2 4.22Å; F11-G84 WeakPolarHBondContact CD2-O 3.43Å; F11-P87 HydrophobicContact CB-CG 4.17Å; F11-P87 HydrophobicContact CD1-CG 3.68Å; F11-P87 HydrophobicContact CD2-CG 3.26Å; F11-P87 HydrophobicContact CE1-CG 3.78Å; F11-P87 HydrophobicContact CE2-CG 3.4Å; F11-P87 VanDerWaalsContact CE2-CG 3.4Å; F11-P87 HydrophobicContact CG-CG 3.41Å; F11-P87 VanDerWaalsContact CG-CG 3.41Å; F11-P87 HydrophobicContact CZ-CG 3.65Å |
| 12 | S | 92.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 60.9 Ų | 60.9 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.9 | 179.8 | -59.4 | 0 | 0 | 0 | 0 | 114 | K14 | S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 3.33Å |
| 13 | G | 91.7 | Very high | 94.5 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 76% | 0.763 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 3.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F11 | F11-G13 PolarHBondContact O-N 3.22Å; F11-G13 VanDerWaalsContact O-N 3.16Å |
| 14 | K | 93.4 | Very high | 94.5 | Very high | 138 Ų | 138 | 60.8 Ų | 60.8 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.8 | 175.9 | -66.2 | 179.7 | -178.1 | 177.9 | 0 | 110.8 | V10 F11 S12 Y16 | V10-K14 CarbonylContact C-O 3.49Å; V10-K14 WeakPolarHBondContact CA-O 3.43Å; F11-K14 PolarHBondContact N-O 3.18Å; F11-K14 PolarHBondContact O-N 3.01Å; F11-K14 VanDerWaalsContact O-O 3.11Å; S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 3.33Å; K14-Y16 HydrophobicContact CB-CD2 4.41Å; K14-Y16 HydrophobicContact CB-CE2 3.64Å; K14-Y16 WeakPolarHBondContact O-CD2 3.28Å |
| 15 | T | 93.9 | Very high | 94.2 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.1 | 175.7 | -50.3 | 0 | 0 | 0 | 0 | 110.4 | P8 V9 | P8-T15 HydrophobicContact CB-CG2 3.88Å; V9-T15 CarbonylContact O-C 3.6Å; V9-T15 WeakPolarHBondContact O-CA 3.41Å |
| 16 | Y | 93.2 | Very high | 93.9 | Very high | 110 Ų | 110 | 65.2 Ų | 65.2 | 43% | 0.431 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.1 | 176 | -62.4 | -89.8 | 0 | 0 | 0 | 109.9 | V9 F11 K14 | V9-Y16 PolarHBondContact N-O 3.08Å; V9-Y16 PolarHBondContact O-N 3.45Å; F11-Y16 HydrophobicContact CB-CD2 3.95Å; F11-Y16 HydrophobicContact CB-CE2 4.01Å; F11-Y16 HydrophobicContact CD1-CE2 4.22Å; K14-Y16 HydrophobicContact CB-CD2 4.41Å; K14-Y16 HydrophobicContact CB-CE2 3.64Å; K14-Y16 WeakPolarHBondContact O-CD2 3.28Å |
| 17 | N | 94.4 | Very high | 93.7 | Very high | 103 Ų | 103 | 65.1 Ų | 65.1 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 104 | 175.8 | -66.3 | -62.3 | 0 | 0 | 0 | 109.1 | T6 P19 | T6-N17 HydrophobicContact CG2-CB 4.48Å; N17-P19 WeakPolarHBondContact O-CD 3.41Å |
| 18 | I | 94.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.4 | -174.4 | -53.7 | -161.9 | 0 | 0 | 0 | 109.5 | T6 I7 V9 I20 F83 P88 L89 | T6-I18 CarbonylContact C-O 3.54Å; T6-I18 VanDerWaalsContact CA-O 3.25Å; T6-I18 WeakPolarHBondContact CA-O 3.23Å; I7-I18 HydrophobicContact CG1-CB 4.26Å; I7-I18 PolarHBondContact N-O 3.06Å; I7-I18 PolarHBondContact O-N 2.88Å; V9-I18 HydrophobicContact CB-CD1 3.83Å; V9-I18 HydrophobicContact CB-CG1 4.03Å; V9-I18 HydrophobicContact CG1-CD1 4.09Å; V9-I18 HydrophobicContact CG2-CB 4.39Å; V9-I18 HydrophobicContact CG2-CD1 3.69Å; V9-I18 HydrophobicContact CG2-CG1 3.82Å; I18-I20 HydrophobicContact CG2-CG2 4.48Å; I18-I20 PolarHBondContact O-N 3.33Å; I18-F83 HydrophobicContact CD1-CB 3.89Å; I18-F83 HydrophobicContact CD1-CD2 4.09Å; I18-F83 HydrophobicContact CD1-CG 4.28Å; I18-F83 HydrophobicContact CG2-CD2 4.33Å; I18-F83 HydrophobicContact CG2-CE2 4.44Å; I18-P88 HydrophobicContact CD1-CG 3.65Å; I18-P88 HydrophobicContact CG2-CG 3.63Å; I18-L89 HydrophobicContact CG2-CD1 4.06Å |
| 19 | P | 95.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.1 | 178 | 28.8 | -36.2 | 0 | 0 | 0 | 111.7 | G5 T6 N17 K38 L89 | G5-P19 WeakPolarHBondContact O-CA 3.38Å; T6-P19 HydrophobicContact CG2-CB 4.28Å; N17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-K38 HydrophobicContact CB-CB 4.26Å; P19-K38 WeakPolarHBondContact CB-O 3.31Å; P19-K38 WeakPolarHBondContact CG-O 3.3Å; P19-K38 PolarHBondContact O-N 3.49Å; P19-L89 HydrophobicContact CG-CD1 3.77Å |
| 20 | I | 95.6 | Very high | 93 | Very high | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.7 | 180 | 61.6 | 161.9 | 0 | 0 | 0 | 111.2 | T4 G5 I7 I18 V22 Y36 V37 L76 F83 | T4-I20 WeakPolarHBondContact CA-O 3.4Å; G5-I20 PolarHBondContact N-O 3.36Å; G5-I20 PolarHBondContact O-N 2.97Å; G5-I20 VanDerWaalsContact O-O 3.11Å; I7-I20 HydrophobicContact CD1-CD1 4.38Å; I7-I20 HydrophobicContact CD1-CG2 4.21Å; I7-I20 HydrophobicContact CG1-CD1 4.25Å; I7-I20 HydrophobicContact CG1-CG1 4.46Å; I7-I20 HydrophobicContact CG1-CG2 4.07Å; I7-I20 HydrophobicContact CG2-CD1 3.54Å; I7-I20 HydrophobicContact CG2-CG1 4.21Å; I18-I20 HydrophobicContact CG2-CG2 4.48Å; I18-I20 PolarHBondContact O-N 3.33Å; I20-V22 HydrophobicContact CD1-CG2 4.39Å; I20-Y36 CarbonylContact C-O 3.48Å; I20-Y36 WeakPolarHBondContact CA-O 3.48Å; I20-V37 HydrophobicContact CG2-CG1 4.49Å; I20-L76 HydrophobicContact CD1-CD2 3.31Å; I20-F83 HydrophobicContact CG2-CE2 4.3Å |
| 21 | C | 95.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 115.9 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | L3 T4 W23 Y36 K38 | L3-C21 CarbonylContact O-C 3.52Å; L3-C21 WeakPolarHBondContact O-CA 3.27Å; T4-C21 HydrophobicContact CG2-CB 4.46Å; T4-C21 PolarHBondContact OG1-SG 3.02Å; C21-W23 PolarHBondContact SG-NE1 3.5Å; C21-Y36 PolarHBondContact N-O 3.01Å; C21-Y36 PolarHBondContact O-N 2.9Å; C21-K38 HydrophobicContact CB-CD 4.4Å; C21-K38 HydrophobicContact CB-CG 3.73Å |
| 22 | V | 96 | Very high | 92.8 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.2 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | S2 L3 I20 F24 P33 M34 L72 | S2-V22 CarbonylContact C-O 3.52Å; S2-V22 WeakPolarHBondContact CA-O 3.47Å; S2-V22 WeakPolarHBondContact CB-O 3.34Å; L3-V22 HydrophobicContact CB-CB 4.41Å; L3-V22 PolarHBondContact N-O 3.27Å; L3-V22 PolarHBondContact O-N 3.29Å; I20-V22 HydrophobicContact CD1-CG2 4.39Å; V22-F24 HydrophobicContact CG1-CE1 4.11Å; V22-F24 HydrophobicContact CG1-CE2 4.34Å; V22-F24 HydrophobicContact CG1-CZ 3.93Å; V22-P33 HydrophobicContact CG1-CB 3.59Å; V22-P33 HydrophobicContact CG1-CG 4.06Å; V22-M34 CarbonylContact C-O 3.58Å; V22-L72 HydrophobicContact CG1-CD1 4.15Å |
| 23 | W | 94.9 | Very high | 92.9 | Very high | 112 Ų | 112 | 61.6 Ų | 61.6 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.7 | 177.1 | -76.5 | 78.5 | 0 | 0 | 0 | 109.9 | C21 P33 M34 Y36 | C21-W23 PolarHBondContact SG-NE1 3.5Å; W23-P33 CarbonylContact O-C 3.57Å; W23-P33 VanDerWaalsContact O-CA 3.3Å; W23-P33 WeakPolarHBondContact O-CA 3.48Å; W23-P33 WeakPolarHBondContact O-CB 3.41Å; W23-M34 HydrophobicContact CB-CB 4.18Å; W23-M34 PolarHBondContact N-O 3.47Å; W23-M34 PolarHBondContact O-N 3.32Å; W23-Y36 AromaticContact CD1-CD2 3.72Å; W23-Y36 AromaticContact CD1-CE2 3.95Å; W23-Y36 HydrophobicContact CG-CE2 4.44Å |
| 24 | F | 93.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 128.3 | 178.6 | -55.9 | -86.8 | 0 | 0 | 0 | 110 | M1 L3 V22 Y28 P33 L72 | M1-F24 HydrophobicContact CG-CB 3.97Å; M1-F24 HydrophobicContact CG-CD2 3.61Å; M1-F24 HydrophobicContact CG-CG 4.15Å; M1-F24 PolarHBondContact O-N 3.32Å; M1-F24 HydrophobicContact SD-CD2 4.37Å; L3-F24 HydrophobicContact CB-CE2 3.75Å; L3-F24 HydrophobicContact CB-CZ 4.2Å; V22-F24 HydrophobicContact CG1-CE1 4.11Å; V22-F24 HydrophobicContact CG1-CE2 4.34Å; V22-F24 HydrophobicContact CG1-CZ 3.93Å; F24-Y28 HydrophobicContact CB-CG 4.43Å; F24-Y28 AromaticContact CD1-CD1 3.79Å; F24-Y28 HydrophobicContact CD1-CD1 3.79Å; F24-Y28 AromaticContact CD1-CD2 3.76Å; F24-Y28 HydrophobicContact CD1-CD2 3.76Å; F24-Y28 AromaticContact CD1-CE1 3.9Å; F24-Y28 HydrophobicContact CD1-CE1 3.9Å; F24-Y28 AromaticContact CD1-CE2 3.86Å; F24-Y28 HydrophobicContact CD1-CE2 3.86Å; F24-Y28 AromaticContact CD1-CG 3.72Å; F24-Y28 HydrophobicContact CD1-CG 3.72Å; F24-Y28 AromaticContact CD1-CZ 3.93Å; F24-Y28 HydrophobicContact CE1-CD1 4.38Å; F24-Y28 HydrophobicContact CE1-CD2 4.4Å; F24-Y28 HydrophobicContact CE1-CE1 4.02Å; F24-Y28 HydrophobicContact CE1-CE2 4.03Å; F24-Y28 AromaticContact CE1-CZ 3.83Å; F24-P33 HydrophobicContact CD1-CB 4.05Å; F24-P33 HydrophobicContact CE1-CB 4.29Å; F24-L72 HydrophobicContact CE1-CD2 4.16Å; F24-L72 HydrophobicContact CZ-CD2 3.93Å |
| 25 | E | 89.8 | Confident | 93.2 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 157.1 | 168.3 | -70.4 | -157 | 152.1 | 0 | 0 | 111.5 | N27 Y28 S31 M34 | E25-N27 PolarHBondContact O-N 3.35Å; E25-N27 VanDerWaalsContact O-N 3.1Å; E25-Y28 VanDerWaalsContact O-CB 3.32Å; E25-Y28 WeakPolarHBondContact O-CB 3.41Å; E25-Y28 PolarHBondContact O-N 2.92Å; E25-S31 VanDerWaalsContact OE2-CB 3.25Å; E25-S31 WeakPolarHBondContact OE2-CB 3.37Å; E25-S31 PolarHBondContact OE2-OG 3.02Å; E25-M34 HydrophobicContact CG-CE 4.1Å |
| 26 | P | 89.9 | Confident | 93.3 | Very high | 142 Ų | 142 | 53.6 Ų | 53.6 | 92% | 0.922 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.1 | 175.2 | -24.8 | 34.5 | 0 | 0 | 0 | 113.9 | ||
| 27 | N | 91 | Very high | 93.4 | Very high | 83 Ų | 83 | 48.5 Ų | 48.5 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.5 | -178.3 | -167 | 36.8 | 0 | 0 | 0 | 113.5 | E25 N30 S31 | E25-N27 PolarHBondContact O-N 3.35Å; E25-N27 VanDerWaalsContact O-N 3.1Å; N27-N30 WeakPolarHBondContact O-CA 3.25Å; N27-N30 VanDerWaalsContact O-CB 3.28Å; N27-N30 WeakPolarHBondContact O-CB 3.23Å; N27-N30 PolarHBondContact O-N 3.34Å; N27-N30 PolarHBondContact O-ND2 3.29Å; N27-N30 PolarHBondContact OD1-ND2 3.48Å; N27-S31 PolarHBondContact ND2-OG 3.47Å; N27-S31 PolarHBondContact O-N 3.47Å |
| 28 | Y | 88.4 | Confident | 93.4 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 136.5 | 174 | -179.4 | -92.5 | 0 | 0 | 0 | 110.5 | F24 E25 P33 W65 | F24-Y28 HydrophobicContact CB-CG 4.43Å; F24-Y28 AromaticContact CD1-CD1 3.79Å; F24-Y28 HydrophobicContact CD1-CD1 3.79Å; F24-Y28 AromaticContact CD1-CD2 3.76Å; F24-Y28 HydrophobicContact CD1-CD2 3.76Å; F24-Y28 AromaticContact CD1-CE1 3.9Å; F24-Y28 HydrophobicContact CD1-CE1 3.9Å; F24-Y28 AromaticContact CD1-CE2 3.86Å; F24-Y28 HydrophobicContact CD1-CE2 3.86Å; F24-Y28 AromaticContact CD1-CG 3.72Å; F24-Y28 HydrophobicContact CD1-CG 3.72Å; F24-Y28 AromaticContact CD1-CZ 3.93Å; F24-Y28 HydrophobicContact CE1-CD1 4.38Å; F24-Y28 HydrophobicContact CE1-CD2 4.4Å; F24-Y28 HydrophobicContact CE1-CE1 4.02Å; F24-Y28 HydrophobicContact CE1-CE2 4.03Å; F24-Y28 AromaticContact CE1-CZ 3.83Å; E25-Y28 VanDerWaalsContact O-CB 3.32Å; E25-Y28 WeakPolarHBondContact O-CB 3.41Å; E25-Y28 PolarHBondContact O-N 2.92Å; Y28-P33 HydrophobicContact CD2-CB 4.4Å; Y28-P33 HydrophobicContact CE2-CB 4.41Å; Y28-P33 HydrophobicContact CE2-CG 4.22Å; Y28-W65 HydrophobicContact CD2-CZ2 4.47Å; Y28-W65 HydrophobicContact CE2-CH2 4.11Å; Y28-W65 AromaticContact CE2-CZ2 3.65Å; Y28-W65 HydrophobicContact CE2-CZ2 3.65Å |
| 29 | P | 90.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | 12.6 | 8.4 | 36.2 | -36 | 0 | 0 | 0 | 115.7 | W65 K67 | P29-W65 PolarHBondContact O-NE1 3.45Å; P29-K67 HydrophobicContact CG-CD 4.14Å; P29-K67 HydrophobicContact CG-CG 4.19Å |
| 30 | N | 90.8 | Very high | 93 | Very high | 84 Ų | 84 | 52.6 Ų | 52.6 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -37.8 | 175.2 | -54.4 | -56.3 | 0 | 0 | 0 | 111.5 | N27 K67 | N27-N30 WeakPolarHBondContact O-CA 3.25Å; N27-N30 VanDerWaalsContact O-CB 3.28Å; N27-N30 WeakPolarHBondContact O-CB 3.23Å; N27-N30 PolarHBondContact O-N 3.34Å; N27-N30 PolarHBondContact O-ND2 3.29Å; N27-N30 PolarHBondContact OD1-ND2 3.48Å; N30-K67 WeakPolarHBondContact OD1-CD 3.35Å; N30-K67 PolarHBondContact OD1-NZ 2.97Å |
| 31 | S | 90.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -94.5 | 149.8 | 169.3 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | E25 N27 | E25-S31 VanDerWaalsContact OE2-CB 3.25Å; E25-S31 WeakPolarHBondContact OE2-CB 3.37Å; E25-S31 PolarHBondContact OE2-OG 3.02Å; N27-S31 PolarHBondContact ND2-OG 3.47Å; N27-S31 PolarHBondContact O-N 3.47Å |
| 32 | P | 93.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 68.8 Ų | 68.8 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64 | 152.2 | 171.5 | 25.2 | -32.1 | 0 | 0 | 0 | 111.7 | L62 W65 | P32-L62 HydrophobicContact CB-CD2 4.11Å; P32-W65 HydrophobicContact CB-CB 3.64Å; P32-W65 HydrophobicContact CB-CD2 4.08Å; P32-W65 HydrophobicContact CB-CG 3.68Å; P32-W65 HydrophobicContact CG-CB 4.17Å; P32-W65 HydrophobicContact CG-CG 4.47Å |
| 33 | P | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 150.9 | 167 | 33.2 | -33.2 | 0 | 0 | 0 | 111 | V22 W23 F24 Y28 L62 L75 | V22-P33 HydrophobicContact CG1-CB 3.59Å; V22-P33 HydrophobicContact CG1-CG 4.06Å; W23-P33 CarbonylContact O-C 3.57Å; W23-P33 VanDerWaalsContact O-CA 3.3Å; W23-P33 WeakPolarHBondContact O-CA 3.48Å; W23-P33 WeakPolarHBondContact O-CB 3.41Å; F24-P33 HydrophobicContact CD1-CB 4.05Å; F24-P33 HydrophobicContact CE1-CB 4.29Å; Y28-P33 HydrophobicContact CD2-CB 4.4Å; Y28-P33 HydrophobicContact CE2-CB 4.41Å; Y28-P33 HydrophobicContact CE2-CG 4.22Å; P33-L62 HydrophobicContact CG-CD2 4.26Å; P33-L62 WeakPolarHBondContact O-CD2 3.32Å; P33-L75 HydrophobicContact CG-CD2 3.72Å |
| 34 | M | 95.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.6 | 171.3 | -67.8 | 177.8 | -79.7 | 0 | 0 | 109.8 | V22 W23 E25 Y36 | V22-M34 CarbonylContact C-O 3.58Å; W23-M34 HydrophobicContact CB-CB 4.18Å; W23-M34 PolarHBondContact N-O 3.47Å; W23-M34 PolarHBondContact O-N 3.32Å; E25-M34 HydrophobicContact CG-CE 4.1Å; M34-Y36 HydrophobicContact CB-CE2 3.78Å |
| 35 | C | 95.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.9 | -173.7 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | V57 L62 M79 | C35-V57 HydrophobicContact CB-CB 4.06Å; C35-V57 PolarHBondContact O-N 3.08Å; C35-L62 HydrophobicContact CB-CD1 4.33Å; C35-M79 HydrophobicContact CB-CE 3.37Å; C35-M79 WeakPolarHBondContact SG-CE 2.92Å |
| 36 | Y | 95.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.1 | -179.2 | -59.7 | -90.4 | 0 | 0 | 0 | 111.3 | I20 C21 W23 M34 G55 E56 | I20-Y36 CarbonylContact C-O 3.48Å; I20-Y36 WeakPolarHBondContact CA-O 3.48Å; C21-Y36 PolarHBondContact N-O 3.01Å; C21-Y36 PolarHBondContact O-N 2.9Å; W23-Y36 AromaticContact CD1-CD2 3.72Å; W23-Y36 AromaticContact CD1-CE2 3.95Å; W23-Y36 HydrophobicContact CG-CE2 4.44Å; M34-Y36 HydrophobicContact CB-CE2 3.78Å; Y36-G55 CarbonylContact C-O 3.58Å; Y36-G55 VanDerWaalsContact CA-O 3.26Å; Y36-G55 WeakPolarHBondContact CA-O 3.49Å; Y36-E56 HydrophobicContact CD1-CB 3.95Å; Y36-E56 HydrophobicContact CD1-CG 4.3Å; Y36-E56 HydrophobicContact CE1-CB 3.74Å; Y36-E56 HydrophobicContact CE1-CG 3.82Å |
| 37 | V | 95.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 142.1 | 164.8 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | I20 P39 I45 G55 V57 F83 P88 L89 | I20-V37 HydrophobicContact CG2-CG1 4.49Å; V37-P39 WeakPolarHBondContact O-CD 3.36Å; V37-I45 HydrophobicContact CG2-CG1 4.27Å; V37-G55 WeakPolarHBondContact CG2-O 3.49Å; V37-G55 PolarHBondContact N-O 3.3Å; V37-V57 HydrophobicContact CG1-CG2 3.95Å; V37-F83 HydrophobicContact CG1-CE2 4.42Å; V37-F83 HydrophobicContact CG1-CZ 4.1Å; V37-P88 HydrophobicContact CG1-CB 3.91Å; V37-P88 HydrophobicContact CG1-CG 4.24Å; V37-L89 HydrophobicContact CB-CD2 4.3Å; V37-L89 HydrophobicContact CB-CG 4.5Å; V37-L89 HydrophobicContact CG2-CD2 4Å |
| 38 | K | 94 | Very high | 92.3 | Very high | 104 Ų | 104 | 66.8 Ų | 66.8 | 45% | 0.452 | 34% | 0.336 | S | S | . | . | trans | -117.4 | 85 | -176.5 | -72.2 | -67.3 | -176.5 | -176 | 0 | 110.5 | P19 C21 | P19-K38 HydrophobicContact CB-CB 4.26Å; P19-K38 WeakPolarHBondContact CB-O 3.31Å; P19-K38 WeakPolarHBondContact CG-O 3.3Å; P19-K38 PolarHBondContact O-N 3.49Å; C21-K38 HydrophobicContact CB-CD 4.4Å; C21-K38 HydrophobicContact CB-CG 3.73Å | ||
| 39 | P | 92.7 | Very high | 92.4 | Very high | 53 Ų | 53 | 71.8 Ų | 71.8 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | trans | -59.1 | 142.5 | 179.3 | 25.9 | -35.4 | 0 | 0 | 0 | 111.6 | V37 M43 I45 L89 | V37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-M43 HydrophobicContact CB-CB 3.84Å; P39-I45 HydrophobicContact CB-CG1 4.45Å; P39-I45 HydrophobicContact CG-CD1 4.01Å; P39-I45 HydrophobicContact CG-CG1 3.93Å; P39-L89 HydrophobicContact CB-CD2 3.92Å | ||
| 40 | T | 90.5 | Very high | 92.5 | Very high | 64 Ų | 64 | 72.5 Ų | 72.5 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | trans | -78 | 176.3 | 165.1 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | E42 M43 | T40-E42 PolarHBondContact O-N 2.81Å; T40-E42 VanDerWaalsContact O-N 3.14Å; T40-M43 HydrophobicContact CG2-CE 4.41Å; T40-M43 HydrophobicContact CG2-SD 4.19Å; T40-M43 PolarHBondContact O-N 3.09Å; T40-M43 WeakPolarHBondContact OG1-CG 3.3Å | ||
| 41 | R | 89.4 | Confident | 92.6 | Very high | 227 Ų | 227 | 69.1 Ų | 69.1 | 86% | 0.857 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.7 | 178.9 | -69.2 | -176.3 | 175.4 | -172 | -1.6 | 113.4 | R92 | R41-R92 VanDerWaalsContact O-CD 3.29Å; R41-R92 WeakPolarHBondContact O-CD 3.29Å; R41-R92 PolarHBondContact O-NE 3.14Å |
| 42 | E | 90 | Very high | 92.7 | Very high | 128 Ų | 128 | 70 Ų | 70 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.2 | -178.1 | -64.6 | 154.6 | 100.2 | 0 | 0 | 112.3 | T40 M91 R92 | T40-E42 PolarHBondContact O-N 2.81Å; T40-E42 VanDerWaalsContact O-N 3.14Å; E42-M91 CarbonylContact O-C 3.58Å; E42-M91 WeakPolarHBondContact O-CA 3.36Å; E42-R92 WeakPolarHBondContact O-CG 3.11Å; E42-R92 PolarHBondContact O-N 3.02Å |
| 43 | M | 93.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 157.3 | -178.2 | -65.9 | 174.2 | -177.8 | 0 | 0 | 111.7 | P39 T40 L89 A90 R92 | P39-M43 HydrophobicContact CB-CB 3.84Å; T40-M43 HydrophobicContact CG2-CE 4.41Å; T40-M43 HydrophobicContact CG2-SD 4.19Å; T40-M43 PolarHBondContact O-N 3.09Å; T40-M43 WeakPolarHBondContact OG1-CG 3.3Å; M43-L89 HydrophobicContact SD-CB 4.46Å; M43-L89 HydrophobicContact SD-CD1 3.87Å; M43-A90 CarbonylContact C-O 3.5Å; M43-A90 VanDerWaalsContact CA-O 3.28Å; M43-A90 WeakPolarHBondContact CA-O 3.47Å; M43-R92 PolarHBondContact O-NE 3.1Å; M43-R92 VanDerWaalsContact O-NE 3.1Å |
| 44 | I | 92.8 | Very high | 92.4 | Very high | 73 Ų | 73 | 76.3 Ų | 76.3 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.9 | 170.3 | 55.1 | 173.3 | 0 | 0 | 0 | 109.4 | L89 A90 R92 | I44-L89 WeakPolarHBondContact O-CA 3.4Å; I44-A90 HydrophobicContact CD1-CB 4.33Å; I44-A90 HydrophobicContact CG1-CB 3.95Å; I44-A90 WeakPolarHBondContact CG1-O 3.49Å; I44-A90 PolarHBondContact N-O 2.76Å; I44-A90 PolarHBondContact O-N 3.09Å; I44-R92 HydrophobicContact CG2-CG 3.59Å |
| 45 | I | 94.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 127.1 | 175.9 | -65.5 | 161.7 | 0 | 0 | 0 | 108.7 | V37 P39 I51 L89 | V37-I45 HydrophobicContact CG2-CG1 4.27Å; P39-I45 HydrophobicContact CB-CG1 4.45Å; P39-I45 HydrophobicContact CG-CD1 4.01Å; P39-I45 HydrophobicContact CG-CG1 3.93Å; I45-I51 HydrophobicContact CG2-CG2 3.95Å; I45-L89 HydrophobicContact CG1-CD2 3.92Å |
| 46 | V | 92.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | trans | -93 | 109.3 | 172.8 | -177 | 0 | 0 | 0 | 0 | 107.4 | P88 A90 | V46-P88 PolarHBondContact N-O 3.28Å; V46-A90 HydrophobicContact CG2-CB 3.58Å | ||
| 47 | K | 91.3 | Very high | 92.1 | Very high | 141 Ų | 141 | 73.8 Ų | 73.8 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | trans | -66.3 | 140.7 | 176 | -56.5 | -173.2 | -165.3 | -172.5 | 0 | 109.4 | S53 | K47-S53 WeakPolarHBondContact CD-OG 3.42Å; K47-S53 WeakPolarHBondContact CE-OG 3.3Å; K47-S53 PolarHBondContact NZ-OG 3.27Å | ||
| 48 | G | 88.4 | Confident | 92.1 | Very high | 40 Ų | 40 | 76.2 Ų | 76.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -156 | -174.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y50 I51 | G48-Y50 PolarHBondContact O-N 2.79Å; G48-Y50 VanDerWaalsContact O-N 3.09Å; G48-I51 PolarHBondContact N-O 3.05Å; G48-I51 VanDerWaalsContact N-O 3.1Å; G48-I51 PolarHBondContact O-N 3.25Å; G48-I51 VanDerWaalsContact O-O 3.1Å |
| 49 | K | 89.8 | Confident | 92 | Very high | 178 Ų | 178 | 71.3 Ų | 71.3 | 77% | 0.774 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.3 | 179.5 | -177.1 | 177.3 | 174.2 | -168.3 | 0 | 113.2 | ||
| 50 | Y | 92 | Very high | 92 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 1.2 | -174.5 | -51 | -61.3 | 0 | 0 | 0 | 113.6 | G48 V57 T58 I59 P60 L82 | G48-Y50 PolarHBondContact O-N 2.79Å; G48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-V57 CarbonylContact O-C 3.55Å; Y50-V57 WeakPolarHBondContact O-CA 3.4Å; Y50-T58 WeakPolarHBondContact CA-O 3.4Å; Y50-T58 PolarHBondContact O-N 3.46Å; Y50-I59 HydrophobicContact CD1-CG2 4.11Å; Y50-I59 HydrophobicContact CG-CG2 3.96Å; Y50-P60 HydrophobicContact CE1-CG 4.25Å; Y50-L82 HydrophobicContact CD2-CD1 4.35Å; Y50-L82 HydrophobicContact CD2-CD2 4.22Å; Y50-L82 HydrophobicContact CE2-CD2 3.78Å |
| 51 | I | 93.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 71.6 Ų | 71.6 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -133.8 | 121 | -170.8 | -57.4 | 160.8 | 0 | 0 | 0 | 109.2 | I45 G48 E56 F83 P88 | I45-I51 HydrophobicContact CG2-CG2 3.95Å; G48-I51 PolarHBondContact N-O 3.05Å; G48-I51 VanDerWaalsContact N-O 3.1Å; G48-I51 PolarHBondContact O-N 3.25Å; G48-I51 VanDerWaalsContact O-O 3.1Å; I51-E56 WeakPolarHBondContact CA-O 3.5Å; I51-F83 HydrophobicContact CD1-CD1 4.47Å; I51-F83 HydrophobicContact CD1-CE1 4.02Å; I51-F83 HydrophobicContact CG1-CE1 4.38Å; I51-P88 VanDerWaalsContact CD1-CA 3.41Å; I51-P88 HydrophobicContact CD1-CB 3.31Å; I51-P88 HydrophobicContact CG1-CB 4.4Å |
| 52 | S | 92.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | trans | -79 | 166.1 | 176 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | D54 G55 E56 | S52-D54 PolarHBondContact O-N 3.2Å; S52-G55 PolarHBondContact O-N 3.1Å; S52-E56 PolarHBondContact N-O 3.03Å | ||
| 53 | S | 89.4 | Confident | 92.3 | Very high | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -34.9 | 174.8 | -45.8 | 0 | 0 | 0 | 0 | 113.2 | K47 G55 | K47-S53 WeakPolarHBondContact CD-OG 3.42Å; K47-S53 WeakPolarHBondContact CE-OG 3.3Å; K47-S53 PolarHBondContact NZ-OG 3.27Å; S53-G55 PolarHBondContact O-N 3.26Å |
| 54 | D | 90.8 | Very high | 92.2 | Very high | 128 Ų | 128 | 65.9 Ų | 65.9 | 68% | 0.684 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.2 | -177.1 | -50.1 | -66.8 | 0 | 0 | 0 | 112.5 | S52 E56 | S52-D54 PolarHBondContact O-N 3.2Å; D54-E56 VanDerWaalsContact C-N 3.33Å |
| 55 | G | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | 82.6 | 9.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y36 V37 S52 S53 | Y36-G55 CarbonylContact C-O 3.58Å; Y36-G55 VanDerWaalsContact CA-O 3.26Å; Y36-G55 WeakPolarHBondContact CA-O 3.49Å; V37-G55 WeakPolarHBondContact CG2-O 3.49Å; V37-G55 PolarHBondContact N-O 3.3Å; S52-G55 PolarHBondContact O-N 3.1Å; S53-G55 PolarHBondContact O-N 3.26Å | ||
| 56 | E | 95.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 67 Ų | 67 | 36% | 0.36 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 132.7 | 171.6 | -170.1 | -178.6 | 161.6 | 0 | 0 | 110.8 | Y36 I51 S52 D54 | Y36-E56 HydrophobicContact CD1-CB 3.95Å; Y36-E56 HydrophobicContact CD1-CG 4.3Å; Y36-E56 HydrophobicContact CE1-CB 3.74Å; Y36-E56 HydrophobicContact CE1-CG 3.82Å; I51-E56 WeakPolarHBondContact CA-O 3.5Å; S52-E56 PolarHBondContact N-O 3.03Å; D54-E56 VanDerWaalsContact C-N 3.33Å |
| 57 | V | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.9 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | C35 V37 Y50 I59 L62 M79 F83 | C35-V57 HydrophobicContact CB-CB 4.06Å; C35-V57 PolarHBondContact O-N 3.08Å; V37-V57 HydrophobicContact CG1-CG2 3.95Å; Y50-V57 CarbonylContact O-C 3.55Å; Y50-V57 WeakPolarHBondContact O-CA 3.4Å; V57-I59 HydrophobicContact CG1-CG2 3.92Å; V57-L62 WeakPolarHBondContact O-CD1 3.3Å; V57-M79 HydrophobicContact CB-CE 4.25Å; V57-M79 HydrophobicContact CG1-CE 3.77Å; V57-F83 HydrophobicContact CG1-CZ 4.4Å; V57-F83 HydrophobicContact CG2-CZ 4.1Å |
| 58 | T | 93.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 67.6 Ų | 67.6 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | trans | -118 | 90.8 | 179.8 | -45.6 | 0 | 0 | 0 | 0 | 109.9 | Y50 | Y50-T58 WeakPolarHBondContact CA-O 3.4Å; Y50-T58 PolarHBondContact O-N 3.46Å | ||
| 59 | I | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | trans | -106.8 | 154.5 | 179.5 | 57.8 | 171.1 | 0 | 0 | 0 | 111.4 | Y50 V57 Y61 L62 K63 L75 V78 M79 L82 | Y50-I59 HydrophobicContact CD1-CG2 4.11Å; Y50-I59 HydrophobicContact CG-CG2 3.96Å; V57-I59 HydrophobicContact CG1-CG2 3.92Å; I59-Y61 PolarHBondContact O-N 3.39Å; I59-L62 HydrophobicContact CD1-CG 4.44Å; I59-L62 HydrophobicContact CG1-CB 4.23Å; I59-L62 HydrophobicContact CG1-CD1 3.89Å; I59-L62 HydrophobicContact CG1-CG 3.82Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-K63 PolarHBondContact O-N 3.47Å; I59-L75 HydrophobicContact CD1-CD1 3.64Å; I59-L75 HydrophobicContact CG1-CD1 4.44Å; I59-V78 HydrophobicContact CD1-CG1 3.94Å; I59-M79 HydrophobicContact CD1-CE 4.37Å; I59-M79 HydrophobicContact CD1-CG 4.23Å; I59-L82 HydrophobicContact CB-CD1 4.17Å; I59-L82 HydrophobicContact CD1-CD1 4.47Å; I59-L82 HydrophobicContact CG2-CD1 3.44Å; I59-L82 VanDerWaalsContact CG2-CD1 3.44Å | ||
| 60 | P | 92.4 | Very high | 91.7 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.7 | -37.8 | 178.5 | -26.7 | 35.2 | 0 | 0 | 0 | 113.3 | Y50 L62 K63 D64 | Y50-P60 HydrophobicContact CE1-CG 4.25Å; P60-L62 PolarHBondContact O-N 2.89Å; P60-K63 WeakPolarHBondContact O-CB 3.35Å; P60-K63 PolarHBondContact O-N 3.36Å; P60-D64 PolarHBondContact O-N 3.36Å |
| 61 | Y | 92.2 | Very high | 91.7 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.1 | -32.5 | 178.1 | -170.4 | -88.4 | 0 | 0 | 0 | 113.8 | I59 W65 C70 D71 S74 L75 V78 | I59-Y61 PolarHBondContact O-N 3.39Å; Y61-W65 HydrophobicContact CD1-CE3 4.42Å; Y61-W65 HydrophobicContact CE1-CE3 4.03Å; Y61-W65 AromaticContact CE1-CZ3 3.89Å; Y61-W65 HydrophobicContact CE1-CZ3 3.89Å; Y61-C70 HydrophobicContact CE1-CB 4.07Å; Y61-C70 VanDerWaalsContact OH-CA 3.27Å; Y61-C70 WeakPolarHBondContact OH-CA 3.4Å; Y61-D71 PolarHBondContact OH-N 3.08Å; Y61-D71 PolarHBondContact OH-O 3.23Å; Y61-S74 VanDerWaalsContact OH-CB 3.23Å; Y61-S74 WeakPolarHBondContact OH-CB 3.39Å; Y61-L75 HydrophobicContact CD1-CB 4.11Å; Y61-L75 HydrophobicContact CD1-CD1 3.81Å; Y61-L75 HydrophobicContact CE1-CB 3.78Å; Y61-L75 HydrophobicContact CE1-CD1 4.33Å; Y61-V78 HydrophobicContact CD2-CG2 4.41Å |
| 62 | L | 92.1 | Very high | 91.6 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -76.6 | -32.2 | 174.2 | -73.6 | 171.6 | 0 | 0 | 0 | 112.1 | P32 P33 C35 V57 I59 P60 W65 L75 M79 | P32-L62 HydrophobicContact CB-CD2 4.11Å; P33-L62 HydrophobicContact CG-CD2 4.26Å; P33-L62 WeakPolarHBondContact O-CD2 3.32Å; C35-L62 HydrophobicContact CB-CD1 4.33Å; V57-L62 WeakPolarHBondContact O-CD1 3.3Å; I59-L62 HydrophobicContact CD1-CG 4.44Å; I59-L62 HydrophobicContact CG1-CB 4.23Å; I59-L62 HydrophobicContact CG1-CD1 3.89Å; I59-L62 HydrophobicContact CG1-CG 3.82Å; I59-L62 PolarHBondContact O-N 2.93Å; P60-L62 PolarHBondContact O-N 2.89Å; L62-W65 HydrophobicContact CD2-CE3 4.48Å; L62-W65 WeakPolarHBondContact O-CB 3.04Å; L62-L75 HydrophobicContact CD1-CD1 4.39Å; L62-L75 HydrophobicContact CD2-CD1 3.74Å; L62-L75 HydrophobicContact CD2-CD2 3.77Å; L62-L75 HydrophobicContact CD2-CG 4.45Å; L62-L75 HydrophobicContact CG-CD1 3.83Å; L62-M79 HydrophobicContact CD1-CE 4.34Å |
| 63 | K | 90.8 | Very high | 91.5 | Very high | 156 Ų | 156 | 69.2 Ų | 69.2 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.4 | -39.2 | 179 | -62.8 | -174.9 | -180 | -175.3 | 0 | 111.9 | I59 P60 W65 | I59-K63 PolarHBondContact O-N 3.47Å; P60-K63 WeakPolarHBondContact O-CB 3.35Å; P60-K63 PolarHBondContact O-N 3.36Å; K63-W65 VanDerWaalsContact C-N 3.33Å |
| 64 | D | 92.5 | Very high | 91.7 | Very high | 111 Ų | 111 | 68.6 Ų | 68.6 | 59% | 0.594 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 23.1 | 179.8 | -68.3 | -64 | 0 | 0 | 0 | 113 | P60 K66 | P60-D64 PolarHBondContact O-N 3.36Å; D64-K66 PolarHBondContact O-N 2.96Å |
| 65 | W | 93.3 | Very high | 91.9 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | trans | -60 | 123.9 | -176.7 | -178.9 | -84.7 | 0 | 0 | 0 | 112.1 | Y28 P29 P32 Y61 L62 K63 C70 L75 | Y28-W65 HydrophobicContact CD2-CZ2 4.47Å; Y28-W65 HydrophobicContact CE2-CH2 4.11Å; Y28-W65 AromaticContact CE2-CZ2 3.65Å; Y28-W65 HydrophobicContact CE2-CZ2 3.65Å; P29-W65 PolarHBondContact O-NE1 3.45Å; P32-W65 HydrophobicContact CB-CB 3.64Å; P32-W65 HydrophobicContact CB-CD2 4.08Å; P32-W65 HydrophobicContact CB-CG 3.68Å; P32-W65 HydrophobicContact CG-CB 4.17Å; P32-W65 HydrophobicContact CG-CG 4.47Å; Y61-W65 HydrophobicContact CD1-CE3 4.42Å; Y61-W65 HydrophobicContact CE1-CE3 4.03Å; Y61-W65 AromaticContact CE1-CZ3 3.89Å; Y61-W65 HydrophobicContact CE1-CZ3 3.89Å; L62-W65 HydrophobicContact CD2-CE3 4.48Å; L62-W65 WeakPolarHBondContact O-CB 3.04Å; K63-W65 VanDerWaalsContact C-N 3.33Å; W65-C70 HydrophobicContact CD2-CB 3.66Å; W65-C70 HydrophobicContact CE3-CB 3.54Å; W65-C70 HydrophobicContact CG-CB 4.25Å; W65-C70 HydrophobicContact CH2-CB 4.16Å; W65-C70 HydrophobicContact CZ2-CB 4.26Å; W65-C70 HydrophobicContact CZ3-CB 3.82Å; W65-L75 HydrophobicContact CZ3-CB 4.39Å; W65-L75 HydrophobicContact CZ3-CD2 4.19Å | ||
| 66 | K | 92.4 | Very high | 92 | Very high | 126 Ų | 126 | 64.5 Ų | 64.5 | 55% | 0.548 | 35% | 0.346 | S | S | . | . | trans | -132 | 124.9 | 177.5 | -69.6 | 176.1 | -172.2 | 174.2 | 0 | 110.5 | D64 G68 Q69 C70 | D64-K66 PolarHBondContact O-N 2.96Å; K66-G68 PolarHBondContact O-N 2.98Å; K66-Q69 HydrophobicContact CB-CB 4.36Å; K66-Q69 PolarHBondContact O-N 3.24Å; K66-Q69 VanDerWaalsContact O-N 3.08Å; K66-C70 PolarHBondContact N-SG 3.26Å; K66-C70 PolarHBondContact O-N 3.03Å | ||
| 67 | K | 87.1 | Confident | 92 | Very high | 131 Ų | 131 | 67 Ų | 67 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -54.8 | 130.6 | 174.8 | 179.3 | 177 | 172.9 | -170.6 | 0 | 110.8 | P29 N30 Q69 | P29-K67 HydrophobicContact CG-CD 4.14Å; P29-K67 HydrophobicContact CG-CG 4.19Å; N30-K67 WeakPolarHBondContact OD1-CD 3.35Å; N30-K67 PolarHBondContact OD1-NZ 2.97Å; K67-Q69 VanDerWaalsContact C-N 3.27Å; K67-Q69 PolarHBondContact O-N 2.99Å |
| 68 | G | 85.9 | Confident | 91.9 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 75% | 0.753 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -7.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K66 | K66-G68 PolarHBondContact O-N 2.98Š|
| 69 | Q | 87.6 | Confident | 92 | Very high | 156 Ų | 156 | 66.6 Ų | 66.6 | 73% | 0.729 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -27.4 | 168.9 | -63.6 | -139 | 62.1 | 0 | 0 | 112.4 | K66 K67 | K66-Q69 HydrophobicContact CB-CB 4.36Å; K66-Q69 PolarHBondContact O-N 3.24Å; K66-Q69 VanDerWaalsContact O-N 3.08Å; K67-Q69 VanDerWaalsContact C-N 3.27Å; K67-Q69 PolarHBondContact O-N 2.99Å |
| 70 | C | 91.2 | Very high | 92 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 127.3 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | Y61 W65 K66 | Y61-C70 HydrophobicContact CE1-CB 4.07Å; Y61-C70 VanDerWaalsContact OH-CA 3.27Å; Y61-C70 WeakPolarHBondContact OH-CA 3.4Å; W65-C70 HydrophobicContact CD2-CB 3.66Å; W65-C70 HydrophobicContact CE3-CB 3.54Å; W65-C70 HydrophobicContact CG-CB 4.25Å; W65-C70 HydrophobicContact CH2-CB 4.16Å; W65-C70 HydrophobicContact CZ2-CB 4.26Å; W65-C70 HydrophobicContact CZ3-CB 3.82Å; K66-C70 PolarHBondContact N-SG 3.26Å; K66-C70 PolarHBondContact O-N 3.03Å |
| 71 | D | 91.6 | Very high | 92.1 | Very high | 85 Ų | 85 | 69.4 Ų | 69.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -114.3 | 154.3 | 175.1 | -62.1 | -67.1 | 0 | 0 | 0 | 112 | Y61 S74 L75 | Y61-D71 PolarHBondContact OH-N 3.08Å; Y61-D71 PolarHBondContact OH-O 3.23Å; D71-S74 PolarHBondContact O-N 2.82Å; D71-L75 WeakPolarHBondContact O-CB 3.35Å; D71-L75 PolarHBondContact O-N 3.1Å | ||
| 72 | L | 91.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 174.9 | 179.3 | 60.9 | 0 | 0 | 0 | 111.9 | L3 V22 F24 L75 L76 | L3-L72 HydrophobicContact CD2-CD2 4.2Å; V22-L72 HydrophobicContact CG1-CD1 4.15Å; F24-L72 HydrophobicContact CE1-CD2 4.16Å; F24-L72 HydrophobicContact CZ-CD2 3.93Å; L72-L75 HydrophobicContact CD1-CD2 4.03Å; L72-L75 WeakPolarHBondContact O-CB 3.38Å; L72-L75 PolarHBondContact O-N 2.9Å; L72-L76 HydrophobicContact CD1-CG 4.4Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.21Å |
| 73 | S | 92.3 | Very high | 92.2 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 56% | 0.559 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.2 | -48.6 | 176 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | L75 L76 Q77 | S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 3Å; S73-L76 PolarHBondContact O-N 2.75Å; S73-Q77 PolarHBondContact O-N 3.35Å |
| 74 | S | 93.6 | Very high | 92.3 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | Y61 D71 L76 Q77 V78 | Y61-S74 VanDerWaalsContact OH-CB 3.23Å; Y61-S74 WeakPolarHBondContact OH-CB 3.39Å; D71-S74 PolarHBondContact O-N 2.82Å; S74-L76 PolarHBondContact O-N 2.73Å; S74-Q77 PolarHBondContact O-N 2.82Å; S74-V78 VanDerWaalsContact O-CG2 3.3Å; S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.02Å |
| 75 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 173.4 | 171.9 | 61.8 | 0 | 0 | 0 | 111.9 | P33 I59 Y61 L62 W65 D71 L72 S73 Q77 V78 M79 | P33-L75 HydrophobicContact CG-CD2 3.72Å; I59-L75 HydrophobicContact CD1-CD1 3.64Å; I59-L75 HydrophobicContact CG1-CD1 4.44Å; Y61-L75 HydrophobicContact CD1-CB 4.11Å; Y61-L75 HydrophobicContact CD1-CD1 3.81Å; Y61-L75 HydrophobicContact CE1-CB 3.78Å; Y61-L75 HydrophobicContact CE1-CD1 4.33Å; L62-L75 HydrophobicContact CD1-CD1 4.39Å; L62-L75 HydrophobicContact CD2-CD1 3.74Å; L62-L75 HydrophobicContact CD2-CD2 3.77Å; L62-L75 HydrophobicContact CD2-CG 4.45Å; L62-L75 HydrophobicContact CG-CD1 3.83Å; W65-L75 HydrophobicContact CZ3-CB 4.39Å; W65-L75 HydrophobicContact CZ3-CD2 4.19Å; D71-L75 WeakPolarHBondContact O-CB 3.35Å; D71-L75 PolarHBondContact O-N 3.1Å; L72-L75 HydrophobicContact CD1-CD2 4.03Å; L72-L75 WeakPolarHBondContact O-CB 3.38Å; L72-L75 PolarHBondContact O-N 2.9Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 3Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 2.86Å; L75-V78 PolarHBondContact O-N 3.16Å; L75-M79 HydrophobicContact CD1-CE 3.65Å; L75-M79 HydrophobicContact CD2-CE 4.43Å; L75-M79 HydrophobicContact CG-CE 4.01Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 2.87Å |
| 76 | L | 94.2 | Very high | 92.1 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 179.6 | -67.5 | 175.9 | 0 | 0 | 0 | 112 | I7 I20 L72 S73 S74 M79 A80 | I7-L76 HydrophobicContact CG2-CD2 4.21Å; I20-L76 HydrophobicContact CD1-CD2 3.31Å; L72-L76 HydrophobicContact CD1-CG 4.4Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.21Å; S73-L76 PolarHBondContact O-N 2.75Å; S74-L76 PolarHBondContact O-N 2.73Å; L76-M79 WeakPolarHBondContact O-CB 3.34Å; L76-M79 PolarHBondContact O-N 3.38Å; L76-A80 PolarHBondContact O-N 2.79Å |
| 77 | Q | 94.5 | Very high | 92 | Very high | 131 Ų | 131 | 61.3 Ų | 61.3 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 176.7 | -170.4 | 171.7 | -14.5 | 0 | 0 | 111.7 | S73 S74 L75 M79 A80 I81 | S73-Q77 PolarHBondContact O-N 3.35Å; S74-Q77 PolarHBondContact O-N 2.82Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 2.86Å; Q77-M79 VanDerWaalsContact C-N 3.32Å; Q77-M79 PolarHBondContact O-N 2.78Å; Q77-A80 PolarHBondContact O-N 2.86Å; Q77-I81 HydrophobicContact CG-CD1 4.48Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 2.83Å; Q77-I81 VanDerWaalsContact O-N 3.08Å |
| 78 | V | 94.6 | Very high | 92.3 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | I59 Y61 S74 L75 A80 I81 L82 | I59-V78 HydrophobicContact CD1-CG1 3.94Å; Y61-V78 HydrophobicContact CD2-CG2 4.41Å; S74-V78 VanDerWaalsContact O-CG2 3.3Å; S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.02Å; L75-V78 PolarHBondContact O-N 3.16Å; V78-A80 PolarHBondContact O-N 2.77Å; V78-I81 PolarHBondContact O-N 2.82Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 4.35Å; V78-L82 VanDerWaalsContact O-CG 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.26Å; V78-L82 PolarHBondContact O-N 3.02Å |
| 79 | M | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.5 | -73.8 | -178.5 | 179.9 | 0 | 0 | 112.2 | I7 C35 V57 I59 L62 L75 L76 Q77 I81 L82 F83 | I7-M79 HydrophobicContact CD1-CB 4.02Å; C35-M79 HydrophobicContact CB-CE 3.37Å; C35-M79 WeakPolarHBondContact SG-CE 2.92Å; V57-M79 HydrophobicContact CB-CE 4.25Å; V57-M79 HydrophobicContact CG1-CE 3.77Å; I59-M79 HydrophobicContact CD1-CE 4.37Å; I59-M79 HydrophobicContact CD1-CG 4.23Å; L62-M79 HydrophobicContact CD1-CE 4.34Å; L75-M79 HydrophobicContact CD1-CE 3.65Å; L75-M79 HydrophobicContact CD2-CE 4.43Å; L75-M79 HydrophobicContact CG-CE 4.01Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 2.87Å; L76-M79 WeakPolarHBondContact O-CB 3.34Å; L76-M79 PolarHBondContact O-N 3.38Å; Q77-M79 VanDerWaalsContact C-N 3.32Å; Q77-M79 PolarHBondContact O-N 2.78Å; M79-I81 VanDerWaalsContact C-N 3.31Å; M79-I81 PolarHBondContact O-N 2.85Å; M79-L82 PolarHBondContact O-N 3.43Å; M79-F83 HydrophobicContact CB-CD2 4.37Å; M79-F83 HydrophobicContact CB-CE2 4.02Å; M79-F83 HydrophobicContact CB-CZ 4.33Å; M79-F83 HydrophobicContact CG-CZ 4.48Å; M79-F83 VanDerWaalsContact O-CB 3.3Å; M79-F83 WeakPolarHBondContact O-CB 3.2Å; M79-F83 WeakPolarHBondContact O-CD2 3.25Å; M79-F83 WeakPolarHBondContact O-CG 3.39Å; M79-F83 PolarHBondContact O-N 2.78Å |
| 80 | A | 94.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V9 L76 Q77 V78 G84 | V9-A80 HydrophobicContact CG2-CB 4.33Å; L76-A80 PolarHBondContact O-N 2.79Å; Q77-A80 PolarHBondContact O-N 2.86Å; V78-A80 PolarHBondContact O-N 2.77Å; A80-G84 PolarHBondContact O-N 2.93Å; A80-G84 VanDerWaalsContact O-N 3.08Å |
| 81 | I | 93.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 52.8 Ų | 52.8 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -51.4 | 175.5 | -65 | 163.4 | 0 | 0 | 0 | 110.5 | Q77 V78 M79 F83 G84 E85 | Q77-I81 HydrophobicContact CG-CD1 4.48Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 2.83Å; Q77-I81 VanDerWaalsContact O-N 3.08Å; V78-I81 PolarHBondContact O-N 2.82Å; M79-I81 VanDerWaalsContact C-N 3.31Å; M79-I81 PolarHBondContact O-N 2.85Å; I81-F83 VanDerWaalsContact C-N 3.31Å; I81-F83 PolarHBondContact O-N 3.19Å; I81-G84 WeakPolarHBondContact O-CA 3.49Å; I81-G84 PolarHBondContact O-N 2.97Å; I81-E85 PolarHBondContact O-N 3.04Å |
| 82 | L | 93.1 | Very high | 92.6 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | -178.4 | -69.2 | 173.4 | 0 | 0 | 0 | 112.3 | Y50 I59 V78 M79 G84 E85 V86 | Y50-L82 HydrophobicContact CD2-CD1 4.35Å; Y50-L82 HydrophobicContact CD2-CD2 4.22Å; Y50-L82 HydrophobicContact CE2-CD2 3.78Å; I59-L82 HydrophobicContact CB-CD1 4.17Å; I59-L82 HydrophobicContact CD1-CD1 4.47Å; I59-L82 HydrophobicContact CG2-CD1 3.44Å; I59-L82 VanDerWaalsContact CG2-CD1 3.44Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 4.35Å; V78-L82 VanDerWaalsContact O-CG 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.26Å; V78-L82 PolarHBondContact O-N 3.02Å; M79-L82 PolarHBondContact O-N 3.43Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 3.43Å; L82-E85 PolarHBondContact O-N 2.89Å; L82-V86 PolarHBondContact O-N 2.83Å |
| 83 | F | 93.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.8 | -22.6 | 177.1 | -63.6 | -16 | 0 | 0 | 0 | 112.8 | I7 V9 I18 I20 V37 I51 V57 M79 I81 E85 V86 P87 P88 | I7-F83 HydrophobicContact CD1-CD2 3.79Å; I7-F83 HydrophobicContact CD1-CE2 3.89Å; V9-F83 HydrophobicContact CB-CB 4.46Å; V9-F83 HydrophobicContact CG1-CB 3.74Å; V9-F83 HydrophobicContact CG2-CB 3.95Å; V9-F83 HydrophobicContact CG2-CD2 4.32Å; I18-F83 HydrophobicContact CD1-CB 3.89Å; I18-F83 HydrophobicContact CD1-CD2 4.09Å; I18-F83 HydrophobicContact CD1-CG 4.28Å; I18-F83 HydrophobicContact CG2-CD2 4.33Å; I18-F83 HydrophobicContact CG2-CE2 4.44Å; I20-F83 HydrophobicContact CG2-CE2 4.3Å; V37-F83 HydrophobicContact CG1-CE2 4.42Å; V37-F83 HydrophobicContact CG1-CZ 4.1Å; I51-F83 HydrophobicContact CD1-CD1 4.47Å; I51-F83 HydrophobicContact CD1-CE1 4.02Å; I51-F83 HydrophobicContact CG1-CE1 4.38Å; V57-F83 HydrophobicContact CG1-CZ 4.4Å; V57-F83 HydrophobicContact CG2-CZ 4.1Å; M79-F83 HydrophobicContact CB-CD2 4.37Å; M79-F83 HydrophobicContact CB-CE2 4.02Å; M79-F83 HydrophobicContact CB-CZ 4.33Å; M79-F83 HydrophobicContact CG-CZ 4.48Å; M79-F83 VanDerWaalsContact O-CB 3.3Å; M79-F83 WeakPolarHBondContact O-CB 3.2Å; M79-F83 WeakPolarHBondContact O-CD2 3.25Å; M79-F83 WeakPolarHBondContact O-CG 3.39Å; M79-F83 PolarHBondContact O-N 2.78Å; I81-F83 VanDerWaalsContact C-N 3.31Å; I81-F83 PolarHBondContact O-N 3.19Å; F83-E85 VanDerWaalsContact C-N 3.33Å; F83-V86 WeakPolarHBondContact CA-O 3.28Å; F83-V86 CarbonylContact O-C 3.46Å; F83-P87 WeakPolarHBondContact O-CA 3.45Å; F83-P88 HydrophobicContact CB-CG 4.28Å; F83-P88 HydrophobicContact CD1-CB 4.05Å; F83-P88 HydrophobicContact CD1-CG 3.73Å; F83-P88 HydrophobicContact CD2-CG 3.83Å; F83-P88 HydrophobicContact CE1-CB 3.92Å; F83-P88 HydrophobicContact CE1-CG 3.93Å; F83-P88 HydrophobicContact CE2-CG 4.02Å; F83-P88 HydrophobicContact CG-CB 4.5Å; F83-P88 HydrophobicContact CG-CG 3.69Å; F83-P88 HydrophobicContact CZ-CB 4.24Å; F83-P88 HydrophobicContact CZ-CG 4.07Å |
| 84 | G | 92.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.9 | -25 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | V9 V10 F11 A80 I81 L82 | V9-G84 VanDerWaalsContact CG1-N 3.31Å; V10-G84 VanDerWaalsContact O-CA 3.23Å; V10-G84 WeakPolarHBondContact O-CA 3.05Å; F11-G84 WeakPolarHBondContact CD2-O 3.43Å; A80-G84 PolarHBondContact O-N 2.93Å; A80-G84 VanDerWaalsContact O-N 3.08Å; I81-G84 WeakPolarHBondContact O-CA 3.49Å; I81-G84 PolarHBondContact O-N 2.97Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 3.43Å |
| 85 | E | 91.4 | Very high | 89.2 | Confident | 138 Ų | 138 | 64.2 Ų | 64.2 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -83 | -50.4 | 171.2 | -63.9 | -174.2 | 95.4 | 0 | 0 | 111.5 | I81 L82 F83 | I81-E85 PolarHBondContact O-N 3.04Å; L82-E85 PolarHBondContact O-N 2.89Å; F83-E85 VanDerWaalsContact C-N 3.33Å |
| 86 | V | 90.3 | Very high | 87.5 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -132.5 | 104.7 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | L82 F83 | L82-V86 PolarHBondContact O-N 2.83Å; F83-V86 WeakPolarHBondContact CA-O 3.28Å; F83-V86 CarbonylContact O-C 3.46Å |
| 87 | P | 90.9 | Very high | 85.3 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 20% | 0.195 | 42% | 0.416 | C | S | . | . | trans | -62.3 | 132.2 | -177.8 | -26.4 | 35.5 | 0 | 0 | 0 | 112.2 | F11 F83 L89 | F11-P87 HydrophobicContact CB-CG 4.17Å; F11-P87 HydrophobicContact CD1-CG 3.68Å; F11-P87 HydrophobicContact CD2-CG 3.26Å; F11-P87 HydrophobicContact CE1-CG 3.78Å; F11-P87 HydrophobicContact CE2-CG 3.4Å; F11-P87 VanDerWaalsContact CE2-CG 3.4Å; F11-P87 HydrophobicContact CG-CG 3.41Å; F11-P87 VanDerWaalsContact CG-CG 3.41Å; F11-P87 HydrophobicContact CZ-CG 3.65Å; F83-P87 WeakPolarHBondContact O-CA 3.45Å; P87-L89 PolarHBondContact O-N 2.96Å | ||
| 88 | P | 92.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -71.8 | -20.6 | 179.2 | 27.9 | -36.6 | 0 | 0 | 0 | 113.9 | I18 V37 V46 I51 F83 | I18-P88 HydrophobicContact CD1-CG 3.65Å; I18-P88 HydrophobicContact CG2-CG 3.63Å; V37-P88 HydrophobicContact CG1-CB 3.91Å; V37-P88 HydrophobicContact CG1-CG 4.24Å; V46-P88 PolarHBondContact N-O 3.28Å; I51-P88 VanDerWaalsContact CD1-CA 3.41Å; I51-P88 HydrophobicContact CD1-CB 3.31Å; I51-P88 HydrophobicContact CG1-CB 4.4Å; F83-P88 HydrophobicContact CB-CG 4.28Å; F83-P88 HydrophobicContact CD1-CB 4.05Å; F83-P88 HydrophobicContact CD1-CG 3.73Å; F83-P88 HydrophobicContact CD2-CG 3.83Å; F83-P88 HydrophobicContact CE1-CB 3.92Å; F83-P88 HydrophobicContact CE1-CG 3.93Å; F83-P88 HydrophobicContact CE2-CG 4.02Å; F83-P88 HydrophobicContact CG-CB 4.5Å; F83-P88 HydrophobicContact CG-CG 3.69Å; F83-P88 HydrophobicContact CZ-CB 4.24Å; F83-P88 HydrophobicContact CZ-CG 4.07Å |
| 89 | L | 93.3 | Very high | 81 | Confident | 22 Ų | 22 | 82.6 Ų | 82.6 | 12% | 0.115 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.5 | -174.2 | -61.5 | 177.1 | 0 | 0 | 0 | 108.6 | I18 P19 V37 P39 M43 I44 I45 P87 | I18-L89 HydrophobicContact CG2-CD1 4.06Å; P19-L89 HydrophobicContact CG-CD1 3.77Å; V37-L89 HydrophobicContact CB-CD2 4.3Å; V37-L89 HydrophobicContact CB-CG 4.5Å; V37-L89 HydrophobicContact CG2-CD2 4Å; P39-L89 HydrophobicContact CB-CD2 3.92Å; M43-L89 HydrophobicContact SD-CB 4.46Å; M43-L89 HydrophobicContact SD-CD1 3.87Å; I44-L89 WeakPolarHBondContact O-CA 3.4Å; I45-L89 HydrophobicContact CG1-CD2 3.92Å; P87-L89 PolarHBondContact O-N 2.96Å |
| 90 | A | 91.4 | Very high | 78.6 | Confident | 36 Ų | 36 | 86.8 Ų | 86.8 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | M43 I44 V46 | M43-A90 CarbonylContact C-O 3.5Å; M43-A90 VanDerWaalsContact CA-O 3.28Å; M43-A90 WeakPolarHBondContact CA-O 3.47Å; I44-A90 HydrophobicContact CD1-CB 4.33Å; I44-A90 HydrophobicContact CG1-CB 3.95Å; I44-A90 WeakPolarHBondContact CG1-O 3.49Å; I44-A90 PolarHBondContact N-O 2.76Å; I44-A90 PolarHBondContact O-N 3.09Å; V46-A90 HydrophobicContact CG2-CB 3.58Å |
| 91 | M | 90.8 | Very high | 76.6 | Confident | 140 Ų | 140 | 89.5 Ų | 89.5 | 69% | 0.69 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142.9 | 169.1 | -69.3 | -172.1 | 71.2 | 0 | 0 | 109.3 | E42 | E42-M91 CarbonylContact O-C 3.58Å; E42-M91 WeakPolarHBondContact O-CA 3.36Å |
| 92 | R | 88.7 | Confident | 74.2 | Confident | 143 Ų | 143 | 88.5 Ų | 88.5 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -58 | 134.8 | 168.6 | -73.2 | 177.6 | -171.6 | -149.8 | 6.1 | 107.9 | R41 E42 M43 I44 N94 | R41-R92 VanDerWaalsContact O-CD 3.29Å; R41-R92 WeakPolarHBondContact O-CD 3.29Å; R41-R92 PolarHBondContact O-NE 3.14Å; E42-R92 WeakPolarHBondContact O-CG 3.11Å; E42-R92 PolarHBondContact O-N 3.02Å; M43-R92 PolarHBondContact O-NE 3.1Å; M43-R92 VanDerWaalsContact O-NE 3.1Å; I44-R92 HydrophobicContact CG2-CG 3.59Å; R92-N94 PolarHBondContact O-N 2.93Å; R92-N94 VanDerWaalsContact O-N 3.09Å |
| 93 | P | 80.6 | Confident | 71.8 | Confident | 109 Ų | 109 | 97.4 Ų | 97.4 | 71% | 0.708 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -57 | 123 | 166.4 | 24.9 | -30.6 | 0 | 0 | 0 | 106.5 | ||
| 94 | N | 70.5 | Confident | 69.8 | Low | 126 Ų | 126 | 104.4 Ų | 104.4 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.1 | 164.5 | -166.7 | 35.3 | 0 | 0 | 0 | 105.3 | R92 E96 | R92-N94 PolarHBondContact O-N 2.93Å; R92-N94 VanDerWaalsContact O-N 3.09Å; N94-E96 PolarHBondContact O-N 2.75Å |
| 95 | P | 55.4 | Low | 67.9 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | trans | -58.7 | 99.9 | 160.8 | 26 | -31.3 | 0 | 0 | 0 | 105.3 | ||||
| 96 | E | 56.6 | Low | 66 | Low | 169 Ų | 169 | 106.8 Ų | 106.8 | 79% | 0.79 | 57% | 0.57 | S | S | * | * | trans | -49.3 | 129.8 | 159.2 | -64.8 | 176.8 | 78.9 | 0 | 0 | 105 | N94 E98 | N94-E96 PolarHBondContact O-N 2.75Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.79Å | ||
| 97 | P | 49 | Very low | 64.4 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 80% | 0.799 | 58% | 0.575 | S | S | * | * | trans | -54.8 | 110.1 | 171.3 | 21.9 | -29.7 | 0 | 0 | 0 | 106.1 | Q99 | P97-Q99 PolarHBondContact O-N 2.64Š| ||
| 98 | E | 49.4 | Very low | 62.2 | Low | 184 Ų | 184 | 115.7 Ų | 115.7 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | trans | -46.2 | 107.5 | 176.5 | 176.9 | 167.4 | 59.6 | 0 | 0 | 108.1 | E96 A100 | E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.79Å; E98-A100 PolarHBondContact O-N 2.9Å | ||
| 99 | Q | 48.7 | Very low | 60.2 | Low | 131 Ų | 131 | 121.6 Ų | 121.6 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | trans | 36.7 | 76.6 | 148.2 | -66 | -87.2 | 2.1 | 0 | 0 | 114.2 | P97 S101 | P97-Q99 PolarHBondContact O-N 2.64Å; Q99-S101 PolarHBondContact O-N 3.19Å; Q99-S101 PolarHBondContact OE1-OG 2.91Å | ||
| 100 | A | 43.9 | Very low | 58.3 | Low | 90 Ų | 90 | 126.2 Ų | 126.2 | 74% | 0.744 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -68.9 | 32.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112 | E98 | E98-A100 PolarHBondContact O-N 2.9Š|
| 101 | S | 51.6 | Low | 56.6 | Low | 83 Ų | 83 | 129.9 Ų | 129.9 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -137.3 | 27.5 | -163.3 | 31.3 | 0 | 0 | 0 | 0 | 114.5 | Q99 | Q99-S101 PolarHBondContact O-N 3.19Å; Q99-S101 PolarHBondContact OE1-OG 2.91Å |
| 102 | C | 44.3 | Very low | 54.7 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 55% | 0.554 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -143.6 | -9.7 | 164.6 | -148.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 103 | W | 42.6 | Very low | 53 | Low | 217 Ų | 217 | 126.9 Ų | 126.9 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -103.9 | -13.5 | -174.7 | -57.8 | 99.2 | 0 | 0 | 0 | 114.8 | Q105 | W103-Q105 VanDerWaalsContact C-N 3.28Å; W103-Q105 PolarHBondContact O-N 3.46Å |
| 104 | L | 50.7 | Low | 51.5 | Low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 3 | -176.9 | -85.7 | 153.8 | 0 | 0 | 0 | 114.7 | ||
| 105 | Q | 53.9 | Low | 50.6 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 54% | 0.537 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | -0 | -177.6 | -80.9 | 178.3 | -18.5 | 0 | 0 | 115.3 | W103 | W103-Q105 VanDerWaalsContact C-N 3.28Å; W103-Q105 PolarHBondContact O-N 3.46Å |
| 106 | F | 51.3 | Low | 50.2 | Low | 96 Ų | 96 | 128 Ų | 128 | 42% | 0.421 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 97.8 | 178.7 | -66.4 | -79.5 | 0 | 0 | 0 | 111 | M116 | F106-M116 HydrophobicContact CD1-CG 4.43Å; F106-M116 HydrophobicContact CE1-CG 3.71Å; F106-M116 HydrophobicContact CE1-SD 3.57Å; F106-M116 VanDerWaalsContact CE1-SD 3.57Å; F106-M116 HydrophobicContact CZ-CG 4.34Å; F106-M116 HydrophobicContact CZ-SD 3.57Å; F106-M116 VanDerWaalsContact CZ-SD 3.57Å |
| 107 | H | 55.3 | Low | 50 | Low | 139 Ų | 139 | 123.4 Ų | 123.4 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 121.7 | 164 | -85.2 | -115.5 | 0 | 0 | 0 | 109.1 | E109 | H107-E109 PolarHBondContact O-N 2.95Å |
| 108 | K | 45.1 | Very low | 50 | Low | 167 Ų | 167 | 124.9 Ų | 124.9 | 73% | 0.726 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 108.4 | 171.5 | 179.2 | 178.5 | 173.6 | 179.8 | 0 | 108.4 | ||
| 109 | E | 50.4 | Low | 49.9 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | trans | -75.5 | 154.4 | 169.7 | -66.2 | -165.6 | 118.1 | 0 | 0 | 110.6 | H107 D111 G112 | H107-E109 PolarHBondContact O-N 2.95Å; E109-D111 PolarHBondContact O-N 2.75Å; E109-G112 PolarHBondContact O-N 3.17Å | ||
| 110 | A | 53.2 | Low | 50 | Low | 119 Ų | 119 | 124 Ų | 124 | 98% | 0.983 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -14 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 111 | D | 55.7 | Low | 50.3 | Low | 113 Ų | 113 | 123.7 Ų | 123.7 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 1.3 | 179 | -167.8 | -115 | 0 | 0 | 0 | 113.7 | E109 R113 | E109-D111 PolarHBondContact O-N 2.75Å; D111-R113 VanDerWaalsContact C-N 3.34Å; D111-R113 PolarHBondContact O-N 3.2Å; D111-R113 IonicContact OD1-CZ 3.26Å; D111-R113 VanDerWaalsContact OD1-CZ 3.26Å; D111-R113 IonicContact OD1-NE 3.03Å; D111-R113 PolarHBondContact OD1-NE 3.32Å; D111-R113 IonicContact OD1-NH2 2.69Å; D111-R113 PolarHBondContact OD1-NH2 3.03Å |
| 112 | G | 51.8 | Low | 50.4 | Low | 43 Ų | 43 | 126.8 Ų | 126.8 | 44% | 0.443 | 66% | 0.662 | S | S | . | * | S | Bend | trans | 80.3 | 8.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E109 | E109-G112 PolarHBondContact O-N 3.17Š|
| 113 | R | 52.3 | Low | 50.8 | Low | 177 Ų | 177 | 126.7 Ų | 126.7 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | trans | -87.3 | 137 | 169.3 | -83.6 | 177.9 | -90.3 | -155.3 | -2 | 111.2 | D111 | D111-R113 VanDerWaalsContact C-N 3.34Å; D111-R113 PolarHBondContact O-N 3.2Å; D111-R113 IonicContact OD1-CZ 3.26Å; D111-R113 VanDerWaalsContact OD1-CZ 3.26Å; D111-R113 IonicContact OD1-NE 3.03Å; D111-R113 PolarHBondContact OD1-NE 3.32Å; D111-R113 IonicContact OD1-NH2 2.69Å; D111-R113 PolarHBondContact OD1-NH2 3.03Å | ||
| 114 | Y | 50.6 | Low | 50.7 | Low | 182 Ų | 182 | 124.4 Ų | 124.4 | 71% | 0.714 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 114.7 | 174.9 | -54.3 | -83.7 | 0 | 0 | 0 | 108.6 | ||
| 115 | C | 51.5 | Low | 50.3 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 43% | 0.426 | 67% | 0.672 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.5 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 116 | M | 46.9 | Very low | 49.6 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 59% | 0.586 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 106.5 | 167.5 | -69.9 | -117.9 | -69.5 | 0 | 0 | 108.2 | F106 L118 | F106-M116 HydrophobicContact CD1-CG 4.43Å; F106-M116 HydrophobicContact CE1-CG 3.71Å; F106-M116 HydrophobicContact CE1-SD 3.57Å; F106-M116 VanDerWaalsContact CE1-SD 3.57Å; F106-M116 HydrophobicContact CZ-CG 4.34Å; F106-M116 HydrophobicContact CZ-SD 3.57Å; F106-M116 VanDerWaalsContact CZ-SD 3.57Å; M116-L118 PolarHBondContact O-N 3.35Å |
| 117 | S | 51.3 | Low | 49.1 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 51% | 0.51 | 70% | 0.698 | S | S | . | * | trans | -79.9 | 97.5 | 171.7 | 21.2 | 0 | 0 | 0 | 0 | 109.8 | P119 | S117-P119 WeakPolarHBondContact O-CD 3.38Š| ||
| 118 | L | 50.6 | Low | 48.4 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | trans | -76.7 | 116.4 | 165.6 | -80.7 | 154.3 | 0 | 0 | 0 | 108.6 | M116 R120 | M116-L118 PolarHBondContact O-N 3.35Å; L118-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact O-N 3.17Å | ||
| 119 | P | 46.2 | Very low | 48.3 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -68.6 | 115.9 | 173.7 | 26.9 | -30.5 | 0 | 0 | 0 | 108.9 | S117 | S117-P119 WeakPolarHBondContact O-CD 3.38Š| ||
| 120 | R | 51.9 | Low | 47.4 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 70% | 0.698 | 72% | 0.715 | S | S | * | * | trans | -71.3 | 133.4 | 167 | -138.1 | -173.8 | -161.5 | -171.4 | 0.4 | 107.4 | L118 D122 G123 | L118-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact O-N 3.17Å; R120-D122 PolarHBondContact O-N 3.41Å; R120-G123 PolarHBondContact O-N 3.03Å | ||
| 121 | G | 50.3 | Low | 46.8 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 87% | 0.866 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 15.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 122 | D | 52.8 | Low | 46 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 15.1 | -174.9 | -122.4 | -91 | 0 | 0 | 0 | 114.3 | R120 Q124 | R120-D122 PolarHBondContact O-N 3.41Å; D122-Q124 PolarHBondContact O-N 2.97Å |
| 123 | G | 51.5 | Low | 45.1 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | 63.5 | 13.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | R120 | R120-G123 PolarHBondContact O-N 3.03Š| ||
| 124 | Q | 40.9 | Very low | 44.4 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -114.3 | 130.1 | 178.9 | -151.8 | 149.4 | -76.4 | 0 | 0 | 111.8 | D122 | D122-Q124 PolarHBondContact O-N 2.97Š| ||
| 125 | P | 42.1 | Very low | 44.1 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 142.6 | 179.7 | 25.9 | -31.6 | 0 | 0 | 0 | 111.8 | Q127 | P125-Q127 PolarHBondContact O-N 3.46Š| ||
| 126 | F | 39.3 | Very low | 43.7 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | -67.7 | 119 | 169.9 | -99.3 | -94.1 | 0 | 0 | 0 | 109.4 | H128 | F126-H128 PolarHBondContact O-N 2.69Š| ||
| 127 | Q | 40.9 | Very low | 43.5 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 112.3 | 157.5 | -75.3 | -168.2 | -38.4 | 0 | 0 | 107.4 | P125 E129 | P125-Q127 PolarHBondContact O-N 3.46Å; Q127-E129 PolarHBondContact O-N 3.43Å | ||
| 128 | H | 41 | Very low | 43 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | trans | -91.6 | 84 | 174.1 | -163.1 | -162.4 | 0 | 0 | 0 | 108.6 | F126 | F126-H128 PolarHBondContact O-N 2.69Š| ||
| 129 | E | 42.4 | Very low | 42.6 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -116.9 | 97 | 156.2 | -79.5 | -173.7 | 87.7 | 0 | 0 | 107.4 | Q127 | Q127-E129 PolarHBondContact O-N 3.43Š| ||
| 130 | N | 32.5 | Very low | 42.3 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -177 | 121.4 | 136.1 | 46 | 3.8 | 0 | 0 | 0 | 111.6 | ||||
| 131 | E | 40.2 | Very low | 41.6 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -50.4 | 144.6 | 167.9 | -57.7 | 168.4 | 98.1 | 0 | 0 | 111.6 | ||||
| 132 | T | 39.9 | Very low | 41 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -139.9 | 105.8 | 142.9 | -45.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | N | 32.6 | Very low | 40 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 83% | 0.831 | S | S | * | * | trans | -49.1 | 141.5 | 168 | -178.9 | -63.3 | 0 | 0 | 0 | 112.2 | ||||
| 134 | C | 36.8 | Very low | 39 | Very low | 192 Ų | 192 | 159.5 Ų | 159.5 | 100% | 1.297 | 83% | 0.832 | S | S | * | * | trans | -131.7 | 0 | 151.5 | -76.2 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 134 of 134 residues in 41.1 ms
(Link to these results)