| 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 | 87.2 | Confident | 94.8 | Very high | 143 Ų | 143 | 133.7 Ų | 133.7 | 70% | 0.704 | 58% | 0.578 | S | S | * | * | 0 | 145.6 | 0 | -68.5 | -177.6 | -76.6 | 0 | 0 | 109.1 | R45 | M1-R45 HydrophobicContact SD-CG 3.58Å; M1-R45 VanDerWaalsContact SD-CG 3.58Å | |||
| 2 | L | 94 | Very high | 94.8 | Very high | 54 Ų | 54 | 128.6 Ų | 128.6 | 28% | 0.283 | 56% | 0.558 | S | S | . | * | trans | -77.2 | 134 | 177.2 | -62.5 | 174.6 | 0 | 0 | 0 | 111.4 | S44 I47 I66 F69 P70 | L2-S44 WeakPolarHBondContact O-CB 3.33Å; L2-I47 HydrophobicContact CD1-CG2 3.97Å; L2-I66 HydrophobicContact CD1-CD1 4.26Å; L2-I66 HydrophobicContact CD1-CG2 4.35Å; L2-F69 HydrophobicContact CB-CD2 4.46Å; L2-F69 HydrophobicContact CB-CE2 4.24Å; L2-P70 HydrophobicContact CB-CG 3.65Å; L2-P70 WeakPolarHBondContact O-CG 3.49Å | ||
| 3 | L | 94.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 132 Ų | 132 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | trans | -157.8 | 155.4 | 173.1 | 60.9 | 91 | 0 | 0 | 0 | 110.6 | W93 | L3-W93 HydrophobicContact CB-CG 4.3Š| ||
| 4 | P | 96.7 | Very high | 94.8 | Very high | 24 Ų | 24 | 136.3 Ų | 136.3 | 16% | 0.156 | 59% | 0.587 | C | S | . | * | trans | -68.9 | 134.6 | 174.9 | -15.5 | 29.6 | 0 | 0 | 0 | 111.6 | R6 V7 F69 W93 | P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 PolarHBondContact O-N 3.41Å; P4-V7 HydrophobicContact CB-CG1 3.84Å; P4-V7 HydrophobicContact CG-CG1 4.14Å; P4-F69 HydrophobicContact CB-CE1 4.43Å; P4-F69 HydrophobicContact CG-CE1 3.96Å; P4-F69 HydrophobicContact CG-CZ 4.39Å; P4-W93 VanDerWaalsContact CD-CD2 3.5Å; P4-W93 HydrophobicContact CG-CD2 4.14Å; P4-W93 HydrophobicContact CG-CE3 3.63Å; P4-W93 HydrophobicContact CG-CH2 3.98Å; P4-W93 HydrophobicContact CG-CZ2 4.41Å; P4-W93 HydrophobicContact CG-CZ3 3.54Å | ||
| 5 | K | 96.1 | Very high | 94.6 | Very high | 220 Ų | 220 | 129.7 Ų | 129.7 | 96% | 0.957 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -62.9 | -36.9 | 177 | -68.3 | -176.2 | 177.8 | -178.7 | 0 | 112.8 | ||
| 6 | R | 95.7 | Very high | 94.5 | Very high | 230 Ų | 230 | 132.4 Ų | 132.4 | 87% | 0.868 | 58% | 0.576 | S | S | * | * | trans | -146.1 | 146.3 | 178.7 | -172.9 | 176.1 | -179.8 | -178.2 | 0.9 | 109.2 | P4 | P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 PolarHBondContact O-N 3.41Å | ||
| 7 | V | 95.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 127.7 Ų | 127.7 | 30% | 0.297 | 56% | 0.561 | S | S | . | * | trans | -131.5 | 145.8 | 172 | -68.9 | 0 | 0 | 0 | 0 | 111 | P4 W93 | P4-V7 HydrophobicContact CB-CG1 3.84Å; P4-V7 HydrophobicContact CG-CG1 4.14Å; V7-W93 HydrophobicContact CB-CH2 4.29Å; V7-W93 HydrophobicContact CG1-CH2 3.4Å; V7-W93 HydrophobicContact CG1-CZ2 4.38Å; V7-W93 HydrophobicContact CG1-CZ3 3.86Å; V7-W93 HydrophobicContact CG2-CH2 4.03Å | ||
| 8 | K | 96.8 | Very high | 94.1 | Very high | 175 Ų | 175 | 126.1 Ų | 126.1 | 76% | 0.761 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -66.3 | -39.6 | 173.9 | -171.7 | 178.1 | -177.4 | -170.4 | 0 | 111.7 | ||
| 9 | Y | 96 | Very high | 94 | Very high | 144 Ų | 144 | 122.4 Ų | 122.4 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | trans | -128 | 128.7 | -178.7 | -53.3 | -68.3 | 0 | 0 | 0 | 111 | ||||
| 10 | R | 94.5 | Very high | 94.1 | Very high | 205 Ų | 205 | 127.2 Ų | 127.2 | 77% | 0.774 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -71.5 | -39.2 | -177.9 | -66.3 | 178.5 | 68.7 | -176.5 | 2.7 | 112.9 | P73 V90 | R10-P73 WeakPolarHBondContact O-CG 3.49Å; R10-V90 WeakPolarHBondContact O-CG2 3.44Å |
| 11 | R | 95.2 | Very high | 94.1 | Very high | 131 Ų | 131 | 121.9 Ų | 121.9 | 49% | 0.494 | 56% | 0.555 | S | S | . | * | trans | -121 | 119.2 | -174.9 | -61.4 | 176.3 | -179.3 | 168.5 | -3.7 | 110.1 | T75 K87 G88 V90 | R11-T75 HydrophobicContact CB-CG2 4.45Å; R11-T75 HydrophobicContact CG-CG2 4.13Å; R11-K87 HydrophobicContact CB-CD 4.13Å; R11-K87 VanDerWaalsContact CZ-O 3.24Å; R11-K87 PolarHBondContact NH1-O 2.94Å; R11-G88 PolarHBondContact NE-O 3.42Å; R11-G88 VanDerWaalsContact NE-O 3.14Å; R11-V90 HydrophobicContact CG-CG2 4.18Å | ||
| 12 | Q | 95.2 | Very high | 94.5 | Very high | 72 Ų | 72 | 125.6 Ų | 125.6 | 34% | 0.336 | 57% | 0.567 | S | S | . | * | trans | -110.9 | 147.8 | -179.8 | -63.1 | 178.2 | 15 | 0 | 0 | 111.4 | P73 K87 | Q12-P73 HydrophobicContact CB-CG 4.18Å; Q12-P73 VanDerWaalsContact CD-CD 3.47Å; Q12-P73 HydrophobicContact CG-CG 3.92Å; Q12-K87 PolarHBondContact O-NZ 2.74Å | ||
| 13 | H | 95.2 | Very high | 94.5 | Very high | 173 Ų | 173 | 124.3 Ų | 124.3 | 80% | 0.801 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 152.4 | 170.3 | -64.6 | 155.4 | 0 | 0 | 0 | 111 | ||
| 14 | R | 93.7 | Very high | 94.5 | Very high | 192 Ų | 192 | 120.6 Ų | 120.6 | 73% | 0.725 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.7 | -177.8 | -73.5 | 176 | 175.7 | 178.7 | 1.6 | 109.4 | W41 | R14-W41 HydrophobicContact CB-CH2 3.98Å; R14-W41 HydrophobicContact CB-CZ2 4.21Å; R14-W41 HydrophobicContact CG-CH2 3.89Å |
| 15 | P | 93 | Very high | 94.4 | Very high | 37 Ų | 37 | 122.4 Ų | 122.4 | 24% | 0.24 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -71.9 | 144.4 | -180 | 30.1 | -35.3 | 0 | 0 | 0 | 110.8 | W41 T72 I94 V96 | P15-W41 HydrophobicContact CG-CZ2 4.05Å; P15-T72 HydrophobicContact CG-CG2 4.05Å; P15-I94 HydrophobicContact CG-CD1 4.42Å; P15-V96 HydrophobicContact CB-CG2 3.69Å; P15-V96 HydrophobicContact CG-CG2 3.36Å |
| 16 | K | 92 | Very high | 94.3 | Very high | 173 Ų | 173 | 119.4 Ų | 119.4 | 75% | 0.752 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 139.9 | 172.9 | -62.3 | -176.7 | -178.7 | -178.4 | 0 | 110.4 | ||
| 17 | T | 90.2 | Very high | 94.2 | Very high | 53 Ų | 53 | 109.1 Ų | 109.1 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | trans | -97 | 2.6 | 179 | 46 | 0 | 0 | 0 | 0 | 113.6 | T39 | T17-T39 VanDerWaalsContact CB-OG1 3.3Å; T17-T39 WeakPolarHBondContact CB-OG1 3.43Å; T17-T39 PolarHBondContact O-OG1 2.92Å | ||
| 18 | T | 91.8 | Very high | 94.1 | Very high | 99 Ų | 99 | 109 Ų | 109 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | trans | -72 | 149.7 | -176 | 54.6 | 0 | 0 | 0 | 0 | 113 | K98 | T18-K98 VanDerWaalsContact O-CE 3.25Å; T18-K98 WeakPolarHBondContact O-CE 3.32Å; T18-K98 PolarHBondContact O-NZ 3.3Å | ||
| 19 | G | 92.2 | Very high | 93.9 | Very high | 55 Ų | 55 | 106.1 Ų | 106.1 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 85.9 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 20 | R | 95.1 | Very high | 93.8 | Very high | 219 Ų | 219 | 99.3 Ų | 99.3 | 83% | 0.826 | 47% | 0.467 | S | S | * | . | trans | -85.3 | 165.1 | 176.8 | -66.3 | -174.7 | 177.7 | 171.6 | 0.1 | 111.5 | K22 K98 | R20-K22 PolarHBondContact O-N 2.84Å; R20-K98 WeakPolarHBondContact O-CD 3.48Å | ||
| 21 | S | 95.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 94 Ų | 94 | 11% | 0.105 | 45% | 0.451 | C | S | . | . | trans | -63.2 | 128.9 | 175 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | G23 N25 P99 | S21-G23 PolarHBondContact O-N 3.37Å; S21-G23 PolarHBondContact OG-O 3.22Å; S21-N25 WeakPolarHBondContact CB-OD1 3.47Å; S21-N25 PolarHBondContact O-ND2 3.15Å; S21-N25 VanDerWaalsContact O-ND2 3.1Å; S21-N25 PolarHBondContact OG-OD1 2.75Å; S21-P99 VanDerWaalsContact CB-O 3.29Å; S21-P99 WeakPolarHBondContact CB-O 3.35Å; S21-P99 PolarHBondContact N-O 2.7Å | ||
| 22 | K | 95 | Very high | 93.9 | Very high | 221 Ų | 221 | 88.2 Ų | 88.2 | 96% | 0.961 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -63.6 | -27.3 | 179.5 | -175.2 | 178.9 | 178.3 | -177.8 | 0 | 112.6 | R20 | R20-K22 PolarHBondContact O-N 2.84Š|
| 23 | G | 94.1 | Very high | 94 | Very high | 27 Ų | 27 | 84.8 Ų | 84.8 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -178.5 | -177.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S21 N25 R101 | S21-G23 PolarHBondContact O-N 3.37Å; S21-G23 PolarHBondContact OG-O 3.22Å; G23-N25 VanDerWaalsContact C-N 3.33Å; G23-N25 PolarHBondContact O-OD1 3.44Å; G23-N25 VanDerWaalsContact O-OD1 3.09Å; G23-R101 VanDerWaalsContact O-CD 3.3Å; G23-R101 WeakPolarHBondContact O-CD 3.19Å; G23-R101 PolarHBondContact O-NH1 3.34Å |
| 24 | G | 94.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | trans | 64.6 | 41.3 | -171 | 0 | 0 | 0 | 0 | 0 | 111.6 | I102 | G24-I102 PolarHBondContact O-N 2.64Š| ||
| 25 | N | 94.6 | Very high | 94.3 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | trans | -99 | -3.7 | -174.6 | -59.8 | -16.6 | 0 | 0 | 0 | 112.9 | S21 G23 G100 | S21-N25 WeakPolarHBondContact CB-OD1 3.47Å; S21-N25 PolarHBondContact O-ND2 3.15Å; S21-N25 VanDerWaalsContact O-ND2 3.1Å; S21-N25 PolarHBondContact OG-OD1 2.75Å; G23-N25 VanDerWaalsContact C-N 3.33Å; G23-N25 PolarHBondContact O-OD1 3.44Å; G23-N25 VanDerWaalsContact O-OD1 3.09Å; N25-G100 VanDerWaalsContact CA-O 3.26Å; N25-G100 WeakPolarHBondContact CA-O 3.18Å; N25-G100 WeakPolarHBondContact CB-O 3.24Å; N25-G100 PolarHBondContact OD1-O 2.92Å | ||
| 26 | Y | 94 | Very high | 94.6 | Very high | 157 Ų | 157 | 67.8 Ų | 67.8 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -122.2 | 155 | 177.9 | 56.2 | -87.9 | 0 | 0 | 0 | 110 | T28 | Y26-T28 HydrophobicContact CE2-CG2 4.18Å; Y26-T28 WeakPolarHBondContact CE2-OG1 3.48Å |
| 27 | V | 94.9 | Very high | 94.8 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | trans | -74.3 | 126.6 | 174.3 | -177 | 0 | 0 | 0 | 0 | 108.4 | G30 E105 V132 R134 | V27-G30 VanDerWaalsContact CG1-O 3.24Å; V27-G30 WeakPolarHBondContact CG1-O 3.37Å; V27-E105 HydrophobicContact CG1-CB 4.49Å; V27-E105 HydrophobicContact CG1-CG 4.05Å; V27-V132 HydrophobicContact CG2-CG2 3.67Å; V27-R134 HydrophobicContact CB-CB 4.15Å; V27-R134 HydrophobicContact CB-CG 4.44Å; V27-R134 HydrophobicContact CG1-CB 4.1Å | ||
| 28 | T | 93.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | trans | -112.2 | -41.1 | -173.8 | -39.3 | 0 | 0 | 0 | 0 | 113.5 | Y26 K67 E105 R134 | Y26-T28 HydrophobicContact CE2-CG2 4.18Å; Y26-T28 WeakPolarHBondContact CE2-OG1 3.48Å; T28-K67 VanDerWaalsContact CB-NZ 3.33Å; T28-K67 PolarHBondContact OG1-NZ 2.93Å; T28-E105 PolarHBondContact N-OE1 3.49Å; T28-E105 PolarHBondContact N-OE2 2.88Å; T28-R134 PolarHBondContact O-NH1 3.4Å; T28-R134 VanDerWaalsContact O-NH1 3.09Å | ||
| 29 | F | 93.4 | Very high | 95.4 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -108.3 | -43.2 | -171.7 | -51.5 | -63.8 | 0 | 0 | 0 | 111.6 | W65 K67 E105 | F29-W65 HydrophobicContact CB-CD2 3.81Å; F29-W65 HydrophobicContact CB-CE3 4.42Å; F29-W65 HydrophobicContact CB-CG 3.98Å; F29-W65 HydrophobicContact CB-CZ2 4.14Å; F29-W65 AromaticContact CD2-CD1 3.89Å; F29-W65 HydrophobicContact CD2-CG 4.22Å; F29-W65 HydrophobicContact CG-CG 4.42Å; F29-K67 HydrophobicContact CD2-CD 3.89Å; F29-K67 HydrophobicContact CE2-CD 3.94Å; F29-K67 VanDerWaalsContact CE2-NZ 3.33Å; F29-E105 WeakPolarHBondContact CA-OE2 3.48Å; F29-E105 WeakPolarHBondContact CB-OE2 3.28Å; F29-E105 PolarHBondContact N-OE2 2.71Å |
| 30 | G | 92.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -83.9 | -177.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V27 E105 R134 | V27-G30 VanDerWaalsContact CG1-O 3.24Å; V27-G30 WeakPolarHBondContact CG1-O 3.37Å; G30-E105 PolarHBondContact N-OE2 3.26Å; G30-R134 WeakPolarHBondContact O-CD 3.44Å |
| 31 | E | 95.2 | Very high | 95.7 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -96.5 | -30.4 | 172 | -64 | 165.4 | 133.7 | 0 | 0 | 110.6 | V106 A107 G108 R134 | E31-V106 PolarHBondContact N-O 3.39Å; E31-A107 HydrophobicContact CB-CB 4.47Å; E31-A107 HydrophobicContact CG-CB 3.96Å; E31-A107 VanDerWaalsContact OE2-CA 3.26Å; E31-A107 WeakPolarHBondContact OE2-CA 3.37Å; E31-G108 PolarHBondContact OE2-N 3.3Å; E31-R134 PolarHBondContact O-N 3.05Å |
| 32 | F | 97 | Very high | 95.8 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151.9 | -179.2 | -50.4 | -73 | 0 | 0 | 0 | 110.8 | E105 V106 E111 A114 L118 F131 V132 K133 | F32-E105 CarbonylContact O-C 3.6Å; F32-E105 WeakPolarHBondContact O-CA 3.24Å; F32-V106 PolarHBondContact N-O 2.97Å; F32-V106 PolarHBondContact O-N 3.09Å; F32-E111 HydrophobicContact CD1-CG 4.42Å; F32-E111 HydrophobicContact CE1-CB 3.89Å; F32-E111 HydrophobicContact CE1-CG 3.61Å; F32-E111 HydrophobicContact CE2-CB 4.43Å; F32-E111 HydrophobicContact CZ-CB 3.59Å; F32-E111 HydrophobicContact CZ-CG 3.88Å; F32-A114 HydrophobicContact CB-CB 4.12Å; F32-A114 HydrophobicContact CD2-CB 3.33Å; F32-A114 HydrophobicContact CE2-CB 3.87Å; F32-A114 HydrophobicContact CG-CB 3.79Å; F32-L118 HydrophobicContact CB-CD1 4.15Å; F32-F131 HydrophobicContact CB-CE2 3.85Å; F32-F131 HydrophobicContact CB-CZ 3.9Å; F32-F131 AromaticContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE2 4.09Å; F32-F131 AromaticContact CD1-CZ 3.27Å; F32-F131 HydrophobicContact CD1-CZ 3.27Å; F32-F131 AromaticContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CG-CE2 4.14Å; F32-F131 AromaticContact CG-CZ 3.77Å; F32-F131 HydrophobicContact CG-CZ 3.77Å; F32-V132 CarbonylContact C-O 3.52Å; F32-V132 WeakPolarHBondContact CA-O 3.13Å; F32-K133 HydrophobicContact CD1-CB 4.33Å; F32-K133 HydrophobicContact CD1-CG 4Å; F32-K133 HydrophobicContact CE1-CD 4.01Å; F32-K133 HydrophobicContact CE1-CG 3.87Å |
| 33 | G | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 158.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F104 V132 | G33-F104 CarbonylContact C-O 3.44Å; G33-F104 VanDerWaalsContact CA-O 3.27Å; G33-F104 WeakPolarHBondContact CA-O 3.27Å; G33-V132 PolarHBondContact N-O 2.9Å; G33-V132 WeakPolarHBondContact O-CG2 3.29Å; G33-V132 PolarHBondContact O-N 2.92Å |
| 34 | L | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 108.8 | 172.9 | -169 | 67.3 | 0 | 0 | 0 | 109.9 | L103 F104 L118 A121 L125 T129 | L34-L103 PolarHBondContact O-N 3.42Å; L34-F104 HydrophobicContact CD2-CD2 4.22Å; L34-F104 PolarHBondContact N-O 2.96Å; L34-L118 HydrophobicContact CB-CD2 3.81Å; L34-L118 HydrophobicContact CD1-CB 4.3Å; L34-A121 HydrophobicContact CD2-CB 4.37Å; L34-L125 HydrophobicContact CD2-CD1 3.94Å; L34-T129 HydrophobicContact CD1-CG2 4.13Å; L34-T129 HydrophobicContact CD2-CG2 4.09Å; L34-T129 HydrophobicContact CG-CG2 3.93Å |
| 35 | Q | 97.9 | Very high | 96.2 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.1 | -179.2 | -170.8 | 177.4 | 54.7 | 0 | 0 | 111.3 | G100 R101 I102 T129 K130 V132 | Q35-G100 WeakPolarHBondContact CG-O 3.35Å; Q35-G100 PolarHBondContact NE2-O 2.87Å; Q35-R101 WeakPolarHBondContact CA-O 3.37Å; Q35-I102 HydrophobicContact CB-CD1 3.66Å; Q35-I102 HydrophobicContact CG-CD1 3.91Å; Q35-T129 CarbonylContact O-C 3.58Å; Q35-T129 WeakPolarHBondContact O-CA 3.4Å; Q35-T129 WeakPolarHBondContact O-CB 3.38Å; Q35-K130 PolarHBondContact N-O 2.84Å; Q35-K130 PolarHBondContact O-N 2.94Å; Q35-V132 HydrophobicContact CB-CG1 4.09Å; Q35-V132 HydrophobicContact CB-CG2 4.46Å |
| 36 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V97 P99 G100 R101 L103 V127 | A36-V97 HydrophobicContact CB-CG1 3.44Å; A36-V97 VanDerWaalsContact CB-CG1 3.44Å; A36-P99 CarbonylContact O-C 3.4Å; A36-P99 WeakPolarHBondContact O-CA 3.26Å; A36-G100 PolarHBondContact O-N 2.85Å; A36-R101 PolarHBondContact N-O 2.9Å; A36-L103 HydrophobicContact CB-CD1 4.21Å; A36-L103 HydrophobicContact CB-CD2 4.15Å; A36-L103 HydrophobicContact CB-CG 4.28Å; A36-V127 HydrophobicContact CB-CG2 4.45Å |
| 37 | T | 97.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 40% | 0.399 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -102.9 | -20.6 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | P99 K128 K130 | T37-P99 WeakPolarHBondContact O-CB 3.24Å; T37-P99 WeakPolarHBondContact O-CG 3.26Å; T37-K128 PolarHBondContact N-O 3.15Å; T37-K128 VanDerWaalsContact OG1-C 3.28Å; T37-K128 WeakPolarHBondContact OG1-CB 3.39Å; T37-K128 PolarHBondContact OG1-O 2.95Å; T37-K130 HydrophobicContact CG2-CB 4.01Å |
| 38 | T | 96.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -116.1 | 164.9 | 174.5 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | V127 K128 | T38-V127 WeakPolarHBondContact OG1-CA 3.45Å; T38-K128 HydrophobicContact CG2-CB 3.99Å; T38-K128 HydrophobicContact CG2-CD 4.09Å; T38-K128 HydrophobicContact CG2-CG 4.13Å; T38-K128 PolarHBondContact OG1-N 2.89Å |
| 39 | T | 97.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 33% | 0.331 | 21% | 0.214 | S | C | . | . | trans | -88.5 | 145.5 | 172.8 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | T17 V97 | T17-T39 VanDerWaalsContact CB-OG1 3.3Å; T17-T39 WeakPolarHBondContact CB-OG1 3.43Å; T17-T39 PolarHBondContact O-OG1 2.92Å; T39-V97 VanDerWaalsContact CA-O 3.28Å; T39-V97 WeakPolarHBondContact CA-O 3.48Å; T39-V97 WeakPolarHBondContact CB-O 3.38Å; T39-V97 PolarHBondContact OG1-O 2.89Å | ||
| 40 | S | 96.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 167.3 | 166.9 | -164 | 0 | 0 | 0 | 0 | 111 | V97 P126 | S40-V97 PolarHBondContact N-O 2.9Å; S40-V97 VanDerWaalsContact N-O 3.09Å; S40-V97 PolarHBondContact O-N 3.14Å; S40-P126 WeakPolarHBondContact CB-O 3.32Å; S40-P126 WeakPolarHBondContact OG-CG 3.13Å; S40-P126 PolarHBondContact OG-O 3.09Å |
| 41 | W | 97.1 | Very high | 97.3 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 118.2 | 164.2 | -65.4 | -10.8 | 0 | 0 | 0 | 109 | R14 P15 I94 | R14-W41 HydrophobicContact CB-CH2 3.98Å; R14-W41 HydrophobicContact CB-CZ2 4.21Å; R14-W41 HydrophobicContact CG-CH2 3.89Å; P15-W41 HydrophobicContact CG-CZ2 4.05Å; W41-I94 HydrophobicContact CB-CB 4.2Å; W41-I94 HydrophobicContact CB-CD1 3.81Å; W41-I94 HydrophobicContact CB-CG2 4.21Å; W41-I94 HydrophobicContact CD2-CD1 3.37Å; W41-I94 HydrophobicContact CE3-CD1 3.66Å; W41-I94 HydrophobicContact CG-CD1 3.45Å; W41-I94 VanDerWaalsContact CG-CD1 3.45Å; W41-I94 HydrophobicContact CZ3-CD1 4.39Å |
| 42 | I | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119 | 179.4 | -52.1 | -167.9 | 0 | 0 | 0 | 109 | Q46 I47 I68 I94 A95 V97 L103 L125 V127 | I42-Q46 HydrophobicContact CG2-CB 3.84Å; I42-I47 HydrophobicContact CG2-CD1 4.5Å; I42-I47 HydrophobicContact CG2-CG1 3.75Å; I42-I68 HydrophobicContact CB-CD1 4.35Å; I42-I68 HydrophobicContact CD1-CD1 4.09Å; I42-I68 HydrophobicContact CG2-CD1 4.25Å; I42-I94 CarbonylContact O-C 3.59Å; I42-I94 VanDerWaalsContact O-CA 3.32Å; I42-I94 WeakPolarHBondContact O-CA 3.27Å; I42-A95 PolarHBondContact N-O 3.12Å; I42-A95 PolarHBondContact O-N 3.48Å; I42-V97 HydrophobicContact CB-CG2 4.48Å; I42-V97 HydrophobicContact CD1-CB 4.06Å; I42-V97 HydrophobicContact CD1-CG1 4.35Å; I42-V97 HydrophobicContact CD1-CG2 3.57Å; I42-V97 HydrophobicContact CG1-CB 4.19Å; I42-V97 HydrophobicContact CG1-CG2 3.8Å; I42-L103 HydrophobicContact CD1-CD1 4.09Å; I42-L103 HydrophobicContact CD1-CD2 4.35Å; I42-L125 HydrophobicContact CD1-CD2 4.33Å; I42-L125 HydrophobicContact CG2-CD2 3.98Å; I42-V127 HydrophobicContact CD1-CG2 4.21Å |
| 43 | T | 97.8 | Very high | 97.4 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 156.5 | 179.5 | 64.4 | 0 | 0 | 0 | 0 | 112 | R45 Q46 I47 I94 | T43-R45 PolarHBondContact O-N 3.38Å; T43-Q46 PolarHBondContact O-N 3.21Å; T43-Q46 VanDerWaalsContact O-N 3.12Å; T43-Q46 VanDerWaalsContact OG1-CD 3.27Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 2.87Å; T43-Q46 PolarHBondContact OG1-OE1 2.78Å; T43-I47 WeakPolarHBondContact O-CG1 3.26Å; T43-I47 PolarHBondContact O-N 3.05Å; T43-I47 VanDerWaalsContact O-N 3.09Å; T43-I94 HydrophobicContact CG2-CG2 4.09Å |
| 44 | S | 96.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 39.9 Ų | 39.9 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -32.5 | 172.9 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | L2 E48 W93 | L2-S44 WeakPolarHBondContact O-CB 3.33Å; S44-E48 PolarHBondContact O-N 3.3Å; S44-E48 VanDerWaalsContact O-N 3.13Å; S44-W93 PolarHBondContact N-O 2.77Å; S44-W93 VanDerWaalsContact N-O 3.16Å |
| 45 | R | 97.1 | Very high | 97.3 | Very high | 175 Ų | 175 | 41.4 Ų | 41.4 | 66% | 0.66 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.4 | -43.4 | 175.4 | -68.3 | 179.8 | -178.3 | 168.1 | 1.3 | 112.1 | M1 T43 E48 S49 | M1-R45 HydrophobicContact SD-CG 3.58Å; M1-R45 VanDerWaalsContact SD-CG 3.58Å; T43-R45 PolarHBondContact O-N 3.38Å; R45-E48 PolarHBondContact O-N 3.47Å; R45-S49 WeakPolarHBondContact O-CB 3.49Å; R45-S49 PolarHBondContact O-N 3.14Å; R45-S49 PolarHBondContact O-OG 2.98Å |
| 46 | Q | 98.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 48.8 Ų | 48.8 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.7 | -75.7 | 160.3 | -29.2 | 0 | 0 | 111.3 | I42 T43 E48 S49 A50 L125 | I42-Q46 HydrophobicContact CG2-CB 3.84Å; T43-Q46 PolarHBondContact O-N 3.21Å; T43-Q46 VanDerWaalsContact O-N 3.12Å; T43-Q46 VanDerWaalsContact OG1-CD 3.27Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 2.87Å; T43-Q46 PolarHBondContact OG1-OE1 2.78Å; Q46-E48 VanDerWaalsContact C-N 3.32Å; Q46-E48 PolarHBondContact O-N 3.2Å; Q46-S49 WeakPolarHBondContact CA-OG 3.3Å; Q46-S49 PolarHBondContact O-N 2.92Å; Q46-S49 PolarHBondContact O-OG 3.36Å; Q46-A50 WeakPolarHBondContact O-CB 3.5Å; Q46-A50 PolarHBondContact O-N 3.36Å; Q46-L125 HydrophobicContact CB-CD2 4.39Å |
| 47 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 175.5 | -62.3 | 171.9 | 0 | 0 | 0 | 110.7 | L2 I42 T43 A50 R51 I66 I68 P70 A95 F104 | L2-I47 HydrophobicContact CD1-CG2 3.97Å; I42-I47 HydrophobicContact CG2-CD1 4.5Å; I42-I47 HydrophobicContact CG2-CG1 3.75Å; T43-I47 WeakPolarHBondContact O-CG1 3.26Å; T43-I47 PolarHBondContact O-N 3.05Å; T43-I47 VanDerWaalsContact O-N 3.09Å; I47-A50 PolarHBondContact O-N 3.02Å; I47-R51 WeakPolarHBondContact O-CB 3.2Å; I47-R51 PolarHBondContact O-N 3.07Å; I47-I66 HydrophobicContact CG2-CD1 4.19Å; I47-I66 HydrophobicContact CG2-CG2 3.74Å; I47-I68 HydrophobicContact CD1-CD1 3.81Å; I47-I68 HydrophobicContact CD1-CG1 4.1Å; I47-I68 HydrophobicContact CG1-CD1 3.8Å; I47-I68 HydrophobicContact CG1-CG1 4.37Å; I47-P70 HydrophobicContact CD1-CB 4.42Å; I47-P70 HydrophobicContact CD1-CG 4.31Å; I47-A95 HydrophobicContact CD1-CB 4.36Å; I47-F104 HydrophobicContact CG2-CE1 4.14Å; I47-F104 HydrophobicContact CG2-CZ 4.1Å |
| 48 | E | 97.9 | Very high | 97 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 22% | 0.22 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | -179.8 | -176.7 | 57.4 | -164 | 0 | 0 | 112.2 | S44 R45 Q46 A50 R51 I52 | S44-E48 PolarHBondContact O-N 3.3Å; S44-E48 VanDerWaalsContact O-N 3.13Å; R45-E48 PolarHBondContact O-N 3.47Å; Q46-E48 VanDerWaalsContact C-N 3.32Å; Q46-E48 PolarHBondContact O-N 3.2Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.38Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 IonicContact OE1-CZ 3.36Å; E48-R51 IonicContact OE1-NE 3.98Å; E48-R51 PolarHBondContact OE1-NE 3.11Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 PolarHBondContact OE1-NH2 3.48Å; E48-R51 IonicContact OE2-CZ 3.92Å; E48-R51 IonicContact OE2-NE 2.71Å; E48-R51 PolarHBondContact OE2-NE 3.46Å; E48-R51 IonicContact OE2-NH2 3.97Å; E48-I52 HydrophobicContact CG-CD1 3.92Å; E48-I52 HydrophobicContact CG-CG1 4.46Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.62Å |
| 49 | S | 97.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 177.4 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | R45 Q46 A53 K124 | R45-S49 WeakPolarHBondContact O-CB 3.49Å; R45-S49 PolarHBondContact O-N 3.14Å; R45-S49 PolarHBondContact O-OG 2.98Å; Q46-S49 WeakPolarHBondContact CA-OG 3.3Å; Q46-S49 PolarHBondContact O-N 2.92Å; Q46-S49 PolarHBondContact O-OG 3.36Å; S49-A53 WeakPolarHBondContact O-CB 3.26Å; S49-A53 PolarHBondContact O-N 3.14Å; S49-K124 WeakPolarHBondContact OG-CB 3.23Å |
| 50 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q46 I47 E48 I52 A53 M54 F104 A121 K124 L125 | Q46-A50 WeakPolarHBondContact O-CB 3.5Å; Q46-A50 PolarHBondContact O-N 3.36Å; I47-A50 PolarHBondContact O-N 3.02Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.38Å; A50-I52 PolarHBondContact O-N 2.94Å; A50-A53 PolarHBondContact O-N 2.84Å; A50-M54 WeakPolarHBondContact O-CG 3.33Å; A50-M54 PolarHBondContact O-N 3.17Å; A50-M54 VanDerWaalsContact O-N 3.11Å; A50-F104 HydrophobicContact CB-CE2 3.7Å; A50-F104 HydrophobicContact CB-CZ 3.68Å; A50-A121 HydrophobicContact CB-CB 4.2Å; A50-K124 HydrophobicContact CB-CB 4.29Å; A50-L125 HydrophobicContact CB-CD2 4.07Å; A50-L125 HydrophobicContact CB-CG 4.36Å |
| 51 | R | 97.3 | Very high | 96 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.3 | -171.5 | -159.6 | 70.9 | 74.9 | 0.2 | 111.8 | I47 E48 M54 T55 I66 | I47-R51 WeakPolarHBondContact O-CB 3.2Å; I47-R51 PolarHBondContact O-N 3.07Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 IonicContact OE1-CZ 3.36Å; E48-R51 IonicContact OE1-NE 3.98Å; E48-R51 PolarHBondContact OE1-NE 3.11Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 PolarHBondContact OE1-NH2 3.48Å; E48-R51 IonicContact OE2-CZ 3.92Å; E48-R51 IonicContact OE2-NE 2.71Å; E48-R51 PolarHBondContact OE2-NE 3.46Å; E48-R51 IonicContact OE2-NH2 3.97Å; R51-M54 PolarHBondContact O-N 2.97Å; R51-T55 WeakPolarHBondContact O-CG2 3.24Å; R51-T55 PolarHBondContact O-N 3.04Å; R51-T55 PolarHBondContact O-OG1 3.06Å; R51-I66 HydrophobicContact CB-CD1 4.4Å; R51-I66 HydrophobicContact CG-CD1 4.11Å |
| 52 | I | 96.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 64 Ų | 64 | 26% | 0.256 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 178.2 | -69.5 | 169.8 | 0 | 0 | 0 | 110.5 | E48 A50 M54 T55 R56 | E48-I52 HydrophobicContact CG-CD1 3.92Å; E48-I52 HydrophobicContact CG-CG1 4.46Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.62Å; A50-I52 PolarHBondContact O-N 2.94Å; I52-M54 PolarHBondContact O-N 3.17Å; I52-T55 WeakPolarHBondContact CA-OG1 3.47Å; I52-T55 PolarHBondContact O-N 3.06Å; I52-T55 PolarHBondContact O-OG1 2.91Å; I52-R56 HydrophobicContact CG2-CG 4.18Å; I52-R56 VanDerWaalsContact CG2-NE 3.27Å; I52-R56 WeakPolarHBondContact O-CB 3.14Å; I52-R56 VanDerWaalsContact O-CG 3.26Å; I52-R56 WeakPolarHBondContact O-CG 3.35Å; I52-R56 PolarHBondContact O-N 2.99Å |
| 53 | A | 97 | Very high | 95.8 | Very high | 18 Ų | 18 | 71 Ų | 71 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S49 A50 Y57 K124 | S49-A53 WeakPolarHBondContact O-CB 3.26Å; S49-A53 PolarHBondContact O-N 3.14Å; A50-A53 PolarHBondContact O-N 2.84Å; A53-Y57 PolarHBondContact O-N 3.32Å; A53-Y57 VanDerWaalsContact O-N 3.14Å; A53-K124 HydrophobicContact CB-CG 4.47Å |
| 54 | M | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -51.5 | 178 | -66 | -177.8 | -71.8 | 0 | 0 | 112 | A50 R51 I52 R56 Y57 M58 V64 F104 V106 A117 L118 A121 | A50-M54 WeakPolarHBondContact O-CG 3.33Å; A50-M54 PolarHBondContact O-N 3.17Å; A50-M54 VanDerWaalsContact O-N 3.11Å; R51-M54 PolarHBondContact O-N 2.97Å; I52-M54 PolarHBondContact O-N 3.17Å; M54-R56 VanDerWaalsContact C-N 3.29Å; M54-R56 PolarHBondContact O-N 2.84Å; M54-Y57 PolarHBondContact O-N 3.48Å; M54-Y57 VanDerWaalsContact O-N 3.17Å; M54-M58 HydrophobicContact CB-SD 4.48Å; M54-M58 WeakPolarHBondContact O-CB 3.36Å; M54-M58 VanDerWaalsContact O-CG 3.3Å; M54-M58 WeakPolarHBondContact O-CG 3.1Å; M54-M58 PolarHBondContact O-N 2.82Å; M54-V64 HydrophobicContact CE-CG1 3.71Å; M54-V64 HydrophobicContact SD-CG1 4.4Å; M54-F104 HydrophobicContact CE-CB 3.92Å; M54-F104 HydrophobicContact CE-CD1 3.48Å; M54-F104 VanDerWaalsContact CE-CD1 3.48Å; M54-F104 HydrophobicContact CE-CD2 4.03Å; M54-F104 HydrophobicContact CE-CE1 3.91Å; M54-F104 HydrophobicContact CE-CE2 4.41Å; M54-F104 HydrophobicContact CE-CG 3.54Å; M54-F104 HydrophobicContact CE-CZ 4.36Å; M54-F104 HydrophobicContact SD-CB 4.14Å; M54-F104 HydrophobicContact SD-CG 4.29Å; M54-V106 HydrophobicContact SD-CG2 4.25Å; M54-A117 HydrophobicContact CB-CB 4.39Å; M54-A117 HydrophobicContact CG-CB 4.41Å; M54-A117 WeakPolarHBondContact CG-O 3.32Å; M54-L118 HydrophobicContact SD-CD2 3.55Å; M54-L118 VanDerWaalsContact SD-CD2 3.55Å; M54-A121 HydrophobicContact CE-CB 4.4Å; M54-A121 HydrophobicContact CG-CB 3.55Å; M54-A121 HydrophobicContact SD-CB 3.84Å |
| 55 | T | 95.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -31.9 | -176.2 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | R51 I52 K59 R60 V64 | R51-T55 WeakPolarHBondContact O-CG2 3.24Å; R51-T55 PolarHBondContact O-N 3.04Å; R51-T55 PolarHBondContact O-OG1 3.06Å; I52-T55 WeakPolarHBondContact CA-OG1 3.47Å; I52-T55 PolarHBondContact O-N 3.06Å; I52-T55 PolarHBondContact O-OG1 2.91Å; T55-K59 PolarHBondContact O-N 2.81Å; T55-R60 PolarHBondContact O-N 2.81Å; T55-V64 HydrophobicContact CG2-CG2 4.09Å |
| 56 | R | 96.1 | Very high | 95.8 | Very high | 195 Ų | 195 | 68.4 Ų | 68.4 | 74% | 0.736 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.4 | -47.2 | 172.1 | -76.8 | -180 | -178 | -178.2 | 2 | 111.7 | I52 M54 K59 | I52-R56 HydrophobicContact CG2-CG 4.18Å; I52-R56 VanDerWaalsContact CG2-NE 3.27Å; I52-R56 WeakPolarHBondContact O-CB 3.14Å; I52-R56 VanDerWaalsContact O-CG 3.26Å; I52-R56 WeakPolarHBondContact O-CG 3.35Å; I52-R56 PolarHBondContact O-N 2.99Å; M54-R56 VanDerWaalsContact C-N 3.29Å; M54-R56 PolarHBondContact O-N 2.84Å; R56-K59 PolarHBondContact O-N 3.03Å; R56-K59 VanDerWaalsContact O-N 3.12Å |
| 57 | Y | 96 | Very high | 95.8 | Very high | 93 Ų | 93 | 67.6 Ų | 67.6 | 37% | 0.365 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | -179.3 | -171.6 | -96.3 | 0 | 0 | 0 | 112.1 | A53 M54 K59 V113 E116 A117 L120 | A53-Y57 PolarHBondContact O-N 3.32Å; A53-Y57 VanDerWaalsContact O-N 3.14Å; M54-Y57 PolarHBondContact O-N 3.48Å; M54-Y57 VanDerWaalsContact O-N 3.17Å; Y57-K59 PolarHBondContact O-N 2.86Å; Y57-K59 VanDerWaalsContact O-N 3.14Å; Y57-V113 HydrophobicContact CD1-CG1 4.22Å; Y57-V113 HydrophobicContact CE1-CG1 4.12Å; Y57-E116 HydrophobicContact CD1-CB 4.38Å; Y57-E116 HydrophobicContact CD1-CG 4.38Å; Y57-E116 HydrophobicContact CD2-CG 4.31Å; Y57-E116 HydrophobicContact CE1-CB 3.59Å; Y57-E116 HydrophobicContact CE1-CG 3.65Å; Y57-E116 HydrophobicContact CE2-CB 4.44Å; Y57-E116 HydrophobicContact CE2-CG 3.57Å; Y57-E116 VanDerWaalsContact OH-CG 3.24Å; Y57-E116 WeakPolarHBondContact OH-CG 3.22Å; Y57-A117 HydrophobicContact CD1-CB 3.89Å; Y57-A117 HydrophobicContact CG-CB 4.5Å; Y57-L120 HydrophobicContact CD2-CD1 3.45Å; Y57-L120 VanDerWaalsContact CD2-CD1 3.45Å; Y57-L120 HydrophobicContact CE2-CD1 4.2Å; Y57-L120 HydrophobicContact CG-CD1 3.79Å |
| 58 | M | 94.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 0.6 | 176.3 | -61.7 | 166.3 | 69.6 | 0 | 0 | 113.6 | M54 R60 G61 V64 V106 V109 V113 A117 | M54-M58 HydrophobicContact CB-SD 4.48Å; M54-M58 WeakPolarHBondContact O-CB 3.36Å; M54-M58 VanDerWaalsContact O-CG 3.3Å; M54-M58 WeakPolarHBondContact O-CG 3.1Å; M54-M58 PolarHBondContact O-N 2.82Å; M58-R60 PolarHBondContact O-N 2.86Å; M58-G61 VanDerWaalsContact CE-O 3.24Å; M58-G61 WeakPolarHBondContact CE-O 3.47Å; M58-G61 WeakPolarHBondContact O-CA 3.47Å; M58-G61 PolarHBondContact O-N 3.25Å; M58-V64 HydrophobicContact CE-CG2 4.32Å; M58-V64 HydrophobicContact SD-CG2 3.92Å; M58-V106 HydrophobicContact CE-CG1 3.32Å; M58-V106 HydrophobicContact SD-CG1 3.77Å; M58-V109 HydrophobicContact CB-CG1 4.46Å; M58-V109 HydrophobicContact CE-CB 4.27Å; M58-V109 HydrophobicContact CE-CG1 3.43Å; M58-V109 VanDerWaalsContact CE-CG1 3.43Å; M58-V109 HydrophobicContact CE-CG2 3.78Å; M58-V109 HydrophobicContact CG-CG1 4.35Å; M58-V113 HydrophobicContact CG-CG1 4.11Å; M58-A117 HydrophobicContact CG-CB 3.96Å; M58-A117 HydrophobicContact SD-CB 4.3Å |
| 59 | K | 93.5 | Very high | 95.7 | Very high | 189 Ų | 189 | 70.4 Ų | 70.4 | 82% | 0.822 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.2 | -178.1 | -57.4 | 179 | -177.7 | 175.8 | 0 | 113.6 | T55 R56 Y57 G61 | T55-K59 PolarHBondContact O-N 2.81Å; R56-K59 PolarHBondContact O-N 3.03Å; R56-K59 VanDerWaalsContact O-N 3.12Å; Y57-K59 PolarHBondContact O-N 2.86Å; Y57-K59 VanDerWaalsContact O-N 3.14Å; K59-G61 PolarHBondContact O-N 3.07Å |
| 60 | R | 87.5 | Confident | 95.7 | Very high | 236 Ų | 236 | 68.3 Ų | 68.3 | 89% | 0.891 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 10 | -173.5 | -49.2 | 179.7 | 179.6 | -165.7 | 0.9 | 115.3 | T55 M58 | T55-R60 PolarHBondContact O-N 2.81Å; M58-R60 PolarHBondContact O-N 2.86Å |
| 61 | G | 90.1 | Very high | 95.6 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | trans | -75.4 | 161.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M58 K59 | M58-G61 VanDerWaalsContact CE-O 3.24Å; M58-G61 WeakPolarHBondContact CE-O 3.47Å; M58-G61 WeakPolarHBondContact O-CA 3.47Å; M58-G61 PolarHBondContact O-N 3.25Å; K59-G61 PolarHBondContact O-N 3.07Å | ||
| 62 | G | 93.5 | Very high | 95.6 | Very high | 38 Ų | 38 | 69.6 Ų | 69.6 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 66.9 | -169.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | A107 | G62-A107 CarbonylContact C-O 3.51Å; G62-A107 WeakPolarHBondContact CA-O 3.08Å |
| 63 | K | 96 | Very high | 95.6 | Very high | 146 Ų | 146 | 67.4 Ų | 67.4 | 64% | 0.635 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.8 | 178.3 | -69.2 | -179.3 | -178.1 | 174.5 | 0 | 109.9 | W65 V106 A107 | K63-W65 HydrophobicContact CB-CE3 4.31Å; K63-W65 HydrophobicContact CB-CH2 3.49Å; K63-W65 VanDerWaalsContact CB-CH2 3.49Å; K63-W65 HydrophobicContact CB-CZ2 4.07Å; K63-W65 HydrophobicContact CB-CZ3 3.62Å; K63-W65 HydrophobicContact CD-CH2 4.05Å; K63-W65 HydrophobicContact CD-CZ2 4.15Å; K63-W65 HydrophobicContact CG-CH2 4.4Å; K63-V106 WeakPolarHBondContact O-CA 3.29Å; K63-A107 PolarHBondContact N-O 2.72Å; K63-A107 PolarHBondContact O-N 3.05Å |
| 64 | V | 96.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 70.2 Ų | 70.2 | 24% | 0.242 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.7 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | M54 T55 M58 E105 V106 | M54-V64 HydrophobicContact CE-CG1 3.71Å; M54-V64 HydrophobicContact SD-CG1 4.4Å; T55-V64 HydrophobicContact CG2-CG2 4.09Å; M58-V64 HydrophobicContact CE-CG2 4.32Å; M58-V64 HydrophobicContact SD-CG2 3.92Å; V64-E105 CarbonylContact C-O 3.51Å; V64-E105 WeakPolarHBondContact CA-O 3.46Å; V64-V106 HydrophobicContact CG2-CG2 4.41Å |
| 65 | W | 97.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 71.4 Ų | 71.4 | 29% | 0.288 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.1 | 171.7 | -65.5 | -99.6 | 0 | 0 | 0 | 110.2 | F29 K63 F104 E105 A107 | F29-W65 HydrophobicContact CB-CD2 3.81Å; F29-W65 HydrophobicContact CB-CE3 4.42Å; F29-W65 HydrophobicContact CB-CG 3.98Å; F29-W65 HydrophobicContact CB-CZ2 4.14Å; F29-W65 AromaticContact CD2-CD1 3.89Å; F29-W65 HydrophobicContact CD2-CG 4.22Å; F29-W65 HydrophobicContact CG-CG 4.42Å; K63-W65 HydrophobicContact CB-CE3 4.31Å; K63-W65 HydrophobicContact CB-CH2 3.49Å; K63-W65 VanDerWaalsContact CB-CH2 3.49Å; K63-W65 HydrophobicContact CB-CZ2 4.07Å; K63-W65 HydrophobicContact CB-CZ3 3.62Å; K63-W65 HydrophobicContact CD-CH2 4.05Å; K63-W65 HydrophobicContact CD-CZ2 4.15Å; K63-W65 HydrophobicContact CG-CH2 4.4Å; W65-F104 CarbonylContact O-C 3.51Å; W65-F104 VanDerWaalsContact O-CA 3.27Å; W65-F104 WeakPolarHBondContact O-CA 3.5Å; W65-E105 HydrophobicContact CB-CB 4.21Å; W65-E105 HydrophobicContact CE3-CB 4.35Å; W65-E105 PolarHBondContact N-O 3.29Å; W65-E105 PolarHBondContact O-N 3.02Å; W65-A107 HydrophobicContact CH2-CB 3.89Å; W65-A107 HydrophobicContact CZ3-CB 3.61Å |
| 66 | I | 97.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 74.7 Ų | 74.7 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.6 | 171.5 | -51.5 | -179.2 | 0 | 0 | 0 | 107.2 | L2 I47 R51 I68 F104 | L2-I66 HydrophobicContact CD1-CD1 4.26Å; L2-I66 HydrophobicContact CD1-CG2 4.35Å; I47-I66 HydrophobicContact CG2-CD1 4.19Å; I47-I66 HydrophobicContact CG2-CG2 3.74Å; R51-I66 HydrophobicContact CB-CD1 4.4Å; R51-I66 HydrophobicContact CG-CD1 4.11Å; I66-I68 HydrophobicContact CG2-CG1 4.29Å; I66-I68 VanDerWaalsContact CG2-O 3.3Å; I66-I68 WeakPolarHBondContact CG2-O 3.13Å; I66-F104 HydrophobicContact CB-CD1 4.29Å; I66-F104 HydrophobicContact CB-CE1 4.25Å; I66-F104 HydrophobicContact CD1-CE1 4.41Å; I66-F104 HydrophobicContact CG1-CD1 4.01Å; I66-F104 HydrophobicContact CG1-CE1 3.88Å; I66-F104 HydrophobicContact CG2-CD1 4.21Å; I66-F104 HydrophobicContact CG2-CE1 3.81Å |
| 67 | K | 97.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | trans | -93.5 | -3.6 | -175.4 | -64.1 | -68.5 | -68.1 | -130.5 | 0 | 113.6 | T28 F29 R101 I102 L103 E105 | T28-K67 VanDerWaalsContact CB-NZ 3.33Å; T28-K67 PolarHBondContact OG1-NZ 2.93Å; F29-K67 HydrophobicContact CD2-CD 3.89Å; F29-K67 HydrophobicContact CE2-CD 3.94Å; F29-K67 VanDerWaalsContact CE2-NZ 3.33Å; K67-R101 PolarHBondContact O-NH2 2.83Å; K67-I102 VanDerWaalsContact CB-O 3.26Å; K67-I102 WeakPolarHBondContact CB-O 3.37Å; K67-I102 HydrophobicContact CG-CG2 4.18Å; K67-L103 PolarHBondContact N-O 3.26Å; K67-E105 HydrophobicContact CD-CG 4.21Å; K67-E105 VanDerWaalsContact CD-OE1 3.24Å; K67-E105 WeakPolarHBondContact CD-OE1 3.48Å; K67-E105 WeakPolarHBondContact CE-OE1 3.3Å; K67-E105 HydrophobicContact CG-CG 3.84Å; K67-E105 IonicContact NZ-OE1 2.98Å; K67-E105 PolarHBondContact NZ-OE1 3.34Å; K67-E105 IonicContact NZ-OE2 3.18Å | ||
| 68 | I | 97.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | trans | -118.6 | 146.4 | 177.7 | 56.2 | 163 | 0 | 0 | 0 | 110.6 | I42 I47 I66 A95 V97 R101 L103 | I42-I68 HydrophobicContact CB-CD1 4.35Å; I42-I68 HydrophobicContact CD1-CD1 4.09Å; I42-I68 HydrophobicContact CG2-CD1 4.25Å; I47-I68 HydrophobicContact CD1-CD1 3.81Å; I47-I68 HydrophobicContact CD1-CG1 4.1Å; I47-I68 HydrophobicContact CG1-CD1 3.8Å; I47-I68 HydrophobicContact CG1-CG1 4.37Å; I66-I68 HydrophobicContact CG2-CG1 4.29Å; I66-I68 VanDerWaalsContact CG2-O 3.3Å; I66-I68 WeakPolarHBondContact CG2-O 3.13Å; I68-A95 HydrophobicContact CB-CB 4.25Å; I68-A95 HydrophobicContact CD1-CB 4.32Å; I68-V97 HydrophobicContact CD1-CG2 4.28Å; I68-V97 HydrophobicContact CG2-CG2 4.2Å; I68-R101 HydrophobicContact CG2-CG 4.1Å; I68-L103 HydrophobicContact CD1-CD2 4.22Å; I68-L103 HydrophobicContact CG2-CD2 3.85Å | ||
| 69 | F | 97.8 | Very high | 95.4 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | trans | -132.7 | 133.1 | 179.3 | -176.1 | -99.3 | 0 | 0 | 0 | 110.2 | L2 P4 H71 A95 | L2-F69 HydrophobicContact CB-CD2 4.46Å; L2-F69 HydrophobicContact CB-CE2 4.24Å; P4-F69 HydrophobicContact CB-CE1 4.43Å; P4-F69 HydrophobicContact CG-CE1 3.96Å; P4-F69 HydrophobicContact CG-CZ 4.39Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 HydrophobicContact CD1-CB 4.02Å; F69-H71 HydrophobicContact CE1-CB 4.46Å; F69-H71 PolarHBondContact O-N 2.94Å; F69-H71 PolarHBondContact O-ND1 2.85Å; F69-A95 WeakPolarHBondContact O-CB 3.46Å | ||
| 70 | P | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -78 | 83.8 | -178.8 | 33.3 | -35.4 | 0 | 0 | 0 | 110.8 | L2 I47 W93 I94 | L2-P70 HydrophobicContact CB-CG 3.65Å; L2-P70 WeakPolarHBondContact O-CG 3.49Å; I47-P70 HydrophobicContact CD1-CB 4.42Å; I47-P70 HydrophobicContact CD1-CG 4.31Å; P70-W93 HydrophobicContact CB-CB 3.85Å; P70-W93 HydrophobicContact CG-CB 4.46Å; P70-I94 CarbonylContact C-O 3.59Å; P70-I94 VanDerWaalsContact CA-C 3.47Å; P70-I94 VanDerWaalsContact CA-O 3.27Å; P70-I94 WeakPolarHBondContact CA-O 3.45Å | ||
| 71 | H | 95.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | trans | -94 | -15 | -174.9 | 57.4 | -79.3 | 0 | 0 | 0 | 113.9 | F69 W93 I94 | F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 HydrophobicContact CD1-CB 4.02Å; F69-H71 HydrophobicContact CE1-CB 4.46Å; F69-H71 PolarHBondContact O-N 2.94Å; F69-H71 PolarHBondContact O-ND1 2.85Å; H71-W93 WeakPolarHBondContact O-CZ3 3.39Å; H71-I94 PolarHBondContact N-O 2.97Å | ||
| 72 | T | 96.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | P15 W93 I94 | P15-T72 HydrophobicContact CG-CG2 4.05Å; T72-W93 WeakPolarHBondContact O-CA 3.31Å; T72-I94 HydrophobicContact CG2-CD1 4.45Å; T72-I94 HydrophobicContact CG2-CG1 4.35Å; T72-I94 PolarHBondContact N-O 3.25Å; T72-I94 VanDerWaalsContact N-O 3.09Å; T72-I94 VanDerWaalsContact O-CG1 3.28Å; T72-I94 WeakPolarHBondContact O-CG1 3.39Å; T72-I94 PolarHBondContact O-N 3.34Å |
| 73 | P | 97.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 83 Ų | 83 | 3% | 0.032 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 137.2 | 174.8 | 30.2 | -30.9 | 0 | 0 | 0 | 110.1 | R10 Q12 V90 G92 W93 | R10-P73 WeakPolarHBondContact O-CG 3.49Å; Q12-P73 HydrophobicContact CB-CG 4.18Å; Q12-P73 VanDerWaalsContact CD-CD 3.47Å; Q12-P73 HydrophobicContact CG-CG 3.92Å; P73-V90 HydrophobicContact CB-CG1 3.68Å; P73-V90 HydrophobicContact CB-CG2 4.13Å; P73-G92 WeakPolarHBondContact CA-O 3.27Å; P73-W93 HydrophobicContact CB-CD2 4.42Å; P73-W93 HydrophobicContact CB-CE3 4.05Å; P73-W93 HydrophobicContact CB-CH2 3.97Å; P73-W93 HydrophobicContact CB-CZ2 4.38Å; P73-W93 HydrophobicContact CB-CZ3 3.81Å; P73-W93 HydrophobicContact CG-CH2 4.27Å; P73-W93 HydrophobicContact CG-CZ3 4Å |
| 74 | Y | 94.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 78.2 Ų | 78.2 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.3 | 168 | 78.3 | -84.5 | 0 | 0 | 0 | 110.3 | E91 G92 I94 | Y74-E91 HydrophobicContact CD2-CB 4.15Å; Y74-E91 HydrophobicContact CE2-CB 3.59Å; Y74-E91 HydrophobicContact CE2-CG 3.78Å; Y74-E91 PolarHBondContact O-N 2.86Å; Y74-G92 WeakPolarHBondContact CD1-O 3.21Å; Y74-G92 PolarHBondContact N-O 2.92Å; Y74-I94 HydrophobicContact CD1-CG2 3.74Å; Y74-I94 HydrophobicContact CE1-CG2 4.31Å; Y74-I94 HydrophobicContact CG-CG2 4.39Å |
| 75 | T | 96.4 | Very high | 96 | Very high | 26 Ų | 26 | 82 Ų | 82 | 16% | 0.16 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.1 | -175.2 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | R11 K87 A89 V90 | R11-T75 HydrophobicContact CB-CG2 4.45Å; R11-T75 HydrophobicContact CG-CG2 4.13Å; T75-K87 HydrophobicContact CG2-CD 4.43Å; T75-K87 HydrophobicContact CG2-CG 4.3Å; T75-K87 VanDerWaalsContact OG1-CE 3.23Å; T75-K87 WeakPolarHBondContact OG1-CE 3.42Å; T75-A89 CarbonylContact C-O 3.57Å; T75-A89 WeakPolarHBondContact CA-O 3.24Å; T75-A89 VanDerWaalsContact CB-O 3.32Å; T75-A89 WeakPolarHBondContact CB-O 3.43Å; T75-V90 HydrophobicContact CG2-CG2 4.1Å |
| 76 | K | 95.8 | Very high | 95.8 | Very high | 104 Ų | 104 | 81 Ų | 81 | 45% | 0.452 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.8 | 174.5 | -162.9 | -175.8 | 172.5 | -176.5 | 0 | 109.2 | G88 A89 E91 | K76-G88 WeakPolarHBondContact O-CA 3.4Å; K76-A89 PolarHBondContact N-O 3.09Å; K76-A89 PolarHBondContact O-N 2.98Å; K76-E91 HydrophobicContact CB-CB 4.08Å; K76-E91 HydrophobicContact CB-CG 4.34Å |
| 77 | K | 95.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 82 Ų | 82 | 28% | 0.283 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 150.5 | 167.7 | -79.4 | -174.4 | 163 | -168 | 0 | 109.2 | V81 R82 G84 G86 | K77-V81 HydrophobicContact CB-CG2 4.07Å; K77-V81 HydrophobicContact CD-CG2 4.31Å; K77-R82 PolarHBondContact NZ-O 3Å; K77-G84 VanDerWaalsContact CE-O 3.29Å; K77-G84 WeakPolarHBondContact CE-O 3.47Å; K77-G84 PolarHBondContact NZ-O 3.02Å; K77-G86 WeakPolarHBondContact CE-O 3.35Å |
| 78 | P | 95.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 80.9 Ų | 80.9 | 58% | 0.584 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 155.3 | 170.8 | -23.4 | 33.4 | 0 | 0 | 0 | 111.4 | V81 | P78-V81 HydrophobicContact CB-CG1 3.95Å; P78-V81 HydrophobicContact CG-CG1 4.44Å; P78-V81 WeakPolarHBondContact O-CG2 3.5Å |
| 79 | L | 95.1 | Very high | 95.5 | Very high | 132 Ų | 132 | 83.1 Ų | 83.1 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 152.1 | 172.7 | -61.3 | 175.7 | 0 | 0 | 0 | 109.3 | V81 | L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 3.09Å |
| 80 | E | 94.8 | Very high | 95.4 | Very high | 205 Ų | 205 | 80.9 Ų | 80.9 | 96% | 0.958 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 16.8 | 172.2 | -57.3 | 169.9 | -174.9 | 0 | 0 | 116.4 | ||
| 81 | V | 95.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 86.2 Ų | 86.2 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 150 | 174.1 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | K77 P78 L79 | K77-V81 HydrophobicContact CB-CG2 4.07Å; K77-V81 HydrophobicContact CD-CG2 4.31Å; P78-V81 HydrophobicContact CB-CG1 3.95Å; P78-V81 HydrophobicContact CG-CG1 4.44Å; P78-V81 WeakPolarHBondContact O-CG2 3.5Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 3.09Å |
| 82 | R | 95.9 | Very high | 95.2 | Very high | 230 Ų | 230 | 82.1 Ų | 82.1 | 87% | 0.868 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 166.8 | 174.2 | -65.6 | -176.7 | 178.7 | 173.3 | -0.1 | 112.4 | K77 | K77-R82 PolarHBondContact NZ-O 3Š|
| 83 | M | 96.5 | Very high | 95.3 | Very high | 173 Ų | 173 | 83.7 Ų | 83.7 | 85% | 0.852 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -65.9 | 163 | 170.1 | -60.8 | -57.4 | 161.1 | 0 | 0 | 110.9 | ||
| 84 | G | 92.9 | Very high | 95.3 | Very high | 46 Ų | 46 | 83.7 Ų | 83.7 | 47% | 0.474 | 46% | 0.46 | S | S | . | . | trans | 87.9 | -157.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115.3 | K77 G86 | K77-G84 VanDerWaalsContact CE-O 3.29Å; K77-G84 WeakPolarHBondContact CE-O 3.47Å; K77-G84 PolarHBondContact NZ-O 3.02Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.1Å | ||
| 85 | A | 92.7 | Very high | 95.4 | Very high | 120 Ų | 120 | 80.1 Ų | 80.1 | 99% | 0.992 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 57.4 | 19.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 86 | G | 93.7 | Very high | 95.4 | Very high | 55 Ų | 55 | 80.7 Ų | 80.7 | 57% | 0.567 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 84.1 | -172.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K77 G84 | K77-G86 WeakPolarHBondContact CE-O 3.35Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.1Å |
| 87 | K | 95.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 75.7 Ų | 75.7 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 138.3 | -175.1 | -172.4 | 169.9 | -178.3 | 172.3 | 0 | 111.4 | R11 Q12 T75 | R11-K87 HydrophobicContact CB-CD 4.13Å; R11-K87 VanDerWaalsContact CZ-O 3.24Å; R11-K87 PolarHBondContact NH1-O 2.94Å; Q12-K87 PolarHBondContact O-NZ 2.74Å; T75-K87 HydrophobicContact CG2-CD 4.43Å; T75-K87 HydrophobicContact CG2-CG 4.3Å; T75-K87 VanDerWaalsContact OG1-CE 3.23Å; T75-K87 WeakPolarHBondContact OG1-CE 3.42Å |
| 88 | G | 95.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 75.3 Ų | 75.3 | 11% | 0.113 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 170.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | R11 K76 | R11-G88 PolarHBondContact NE-O 3.42Å; R11-G88 VanDerWaalsContact NE-O 3.14Å; K76-G88 WeakPolarHBondContact O-CA 3.4Å |
| 89 | A | 95.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 72.8 Ų | 72.8 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 158.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T75 K76 E91 | T75-A89 CarbonylContact C-O 3.57Å; T75-A89 WeakPolarHBondContact CA-O 3.24Å; T75-A89 VanDerWaalsContact CB-O 3.32Å; T75-A89 WeakPolarHBondContact CB-O 3.43Å; K76-A89 PolarHBondContact N-O 3.09Å; K76-A89 PolarHBondContact O-N 2.98Å; A89-E91 PolarHBondContact O-N 3.42Å |
| 90 | V | 95.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 30% | 0.297 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 118.4 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | R10 R11 P73 T75 | R10-V90 WeakPolarHBondContact O-CG2 3.44Å; R11-V90 HydrophobicContact CG-CG2 4.18Å; P73-V90 HydrophobicContact CB-CG1 3.68Å; P73-V90 HydrophobicContact CB-CG2 4.13Å; T75-V90 HydrophobicContact CG2-CG2 4.1Å |
| 91 | E | 95.2 | Very high | 95.8 | Very high | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -27 | -178.1 | -171.6 | 71.9 | 176.2 | 0 | 0 | 111.4 | Y74 K76 A89 | Y74-E91 HydrophobicContact CD2-CB 4.15Å; Y74-E91 HydrophobicContact CE2-CB 3.59Å; Y74-E91 HydrophobicContact CE2-CG 3.78Å; Y74-E91 PolarHBondContact O-N 2.86Å; K76-E91 HydrophobicContact CB-CB 4.08Å; K76-E91 HydrophobicContact CB-CG 4.34Å; A89-E91 PolarHBondContact O-N 3.42Å |
| 92 | G | 94.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | -160.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P73 Y74 | P73-G92 WeakPolarHBondContact CA-O 3.27Å; Y74-G92 WeakPolarHBondContact CD1-O 3.21Å; Y74-G92 PolarHBondContact N-O 2.92Å |
| 93 | W | 97.1 | Very high | 96 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.6 | -171.7 | -60.4 | 85.9 | 0 | 0 | 0 | 111.5 | L3 P4 V7 S44 P70 H71 T72 P73 | L3-W93 HydrophobicContact CB-CG 4.3Å; P4-W93 VanDerWaalsContact CD-CD2 3.5Å; P4-W93 HydrophobicContact CG-CD2 4.14Å; P4-W93 HydrophobicContact CG-CE3 3.63Å; P4-W93 HydrophobicContact CG-CH2 3.98Å; P4-W93 HydrophobicContact CG-CZ2 4.41Å; P4-W93 HydrophobicContact CG-CZ3 3.54Å; V7-W93 HydrophobicContact CB-CH2 4.29Å; V7-W93 HydrophobicContact CG1-CH2 3.4Å; V7-W93 HydrophobicContact CG1-CZ2 4.38Å; V7-W93 HydrophobicContact CG1-CZ3 3.86Å; V7-W93 HydrophobicContact CG2-CH2 4.03Å; S44-W93 PolarHBondContact N-O 2.77Å; S44-W93 VanDerWaalsContact N-O 3.16Å; P70-W93 HydrophobicContact CB-CB 3.85Å; P70-W93 HydrophobicContact CG-CB 4.46Å; H71-W93 WeakPolarHBondContact O-CZ3 3.39Å; T72-W93 WeakPolarHBondContact O-CA 3.31Å; P73-W93 HydrophobicContact CB-CD2 4.42Å; P73-W93 HydrophobicContact CB-CE3 4.05Å; P73-W93 HydrophobicContact CB-CH2 3.97Å; P73-W93 HydrophobicContact CB-CZ2 4.38Å; P73-W93 HydrophobicContact CB-CZ3 3.81Å; P73-W93 HydrophobicContact CG-CH2 4.27Å; P73-W93 HydrophobicContact CG-CZ3 4Å |
| 94 | I | 97 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 150.1 | 179.8 | 55.9 | 162.5 | 0 | 0 | 0 | 111.1 | P15 W41 I42 T43 P70 H71 T72 Y74 | P15-I94 HydrophobicContact CG-CD1 4.42Å; W41-I94 HydrophobicContact CB-CB 4.2Å; W41-I94 HydrophobicContact CB-CD1 3.81Å; W41-I94 HydrophobicContact CB-CG2 4.21Å; W41-I94 HydrophobicContact CD2-CD1 3.37Å; W41-I94 HydrophobicContact CE3-CD1 3.66Å; W41-I94 HydrophobicContact CG-CD1 3.45Å; W41-I94 VanDerWaalsContact CG-CD1 3.45Å; W41-I94 HydrophobicContact CZ3-CD1 4.39Å; I42-I94 CarbonylContact O-C 3.59Å; I42-I94 VanDerWaalsContact O-CA 3.32Å; I42-I94 WeakPolarHBondContact O-CA 3.27Å; T43-I94 HydrophobicContact CG2-CG2 4.09Å; P70-I94 CarbonylContact C-O 3.59Å; P70-I94 VanDerWaalsContact CA-C 3.47Å; P70-I94 VanDerWaalsContact CA-O 3.27Å; P70-I94 WeakPolarHBondContact CA-O 3.45Å; H71-I94 PolarHBondContact N-O 2.97Å; T72-I94 HydrophobicContact CG2-CD1 4.45Å; T72-I94 HydrophobicContact CG2-CG1 4.35Å; T72-I94 PolarHBondContact N-O 3.25Å; T72-I94 VanDerWaalsContact N-O 3.09Å; T72-I94 VanDerWaalsContact O-CG1 3.28Å; T72-I94 WeakPolarHBondContact O-CG1 3.39Å; T72-I94 PolarHBondContact O-N 3.34Å; Y74-I94 HydrophobicContact CD1-CG2 3.74Å; Y74-I94 HydrophobicContact CE1-CG2 4.31Å; Y74-I94 HydrophobicContact CG-CG2 4.39Å |
| 95 | A | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I42 I47 I68 F69 V97 | I42-A95 PolarHBondContact N-O 3.12Å; I42-A95 PolarHBondContact O-N 3.48Å; I47-A95 HydrophobicContact CD1-CB 4.36Å; I68-A95 HydrophobicContact CB-CB 4.25Å; I68-A95 HydrophobicContact CD1-CB 4.32Å; F69-A95 WeakPolarHBondContact O-CB 3.46Å; A95-V97 PolarHBondContact O-N 3.28Å |
| 96 | V | 96.7 | Very high | 96.5 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.2 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | P15 | P15-V96 HydrophobicContact CB-CG2 3.69Å; P15-V96 HydrophobicContact CG-CG2 3.36Å |
| 97 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.2 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 109.6 | A36 T39 S40 I42 I68 A95 R101 L103 | A36-V97 HydrophobicContact CB-CG1 3.44Å; A36-V97 VanDerWaalsContact CB-CG1 3.44Å; T39-V97 VanDerWaalsContact CA-O 3.28Å; T39-V97 WeakPolarHBondContact CA-O 3.48Å; T39-V97 WeakPolarHBondContact CB-O 3.38Å; T39-V97 PolarHBondContact OG1-O 2.89Å; S40-V97 PolarHBondContact N-O 2.9Å; S40-V97 VanDerWaalsContact N-O 3.09Å; S40-V97 PolarHBondContact O-N 3.14Å; I42-V97 HydrophobicContact CB-CG2 4.48Å; I42-V97 HydrophobicContact CD1-CB 4.06Å; I42-V97 HydrophobicContact CD1-CG1 4.35Å; I42-V97 HydrophobicContact CD1-CG2 3.57Å; I42-V97 HydrophobicContact CG1-CB 4.19Å; I42-V97 HydrophobicContact CG1-CG2 3.8Å; I68-V97 HydrophobicContact CD1-CG2 4.28Å; I68-V97 HydrophobicContact CG2-CG2 4.2Å; A95-V97 PolarHBondContact O-N 3.28Å; V97-R101 HydrophobicContact CG1-CB 4.42Å; V97-L103 HydrophobicContact CB-CD2 4.39Å; V97-L103 HydrophobicContact CG1-CD2 3.66Å; V97-L103 HydrophobicContact CG2-CD2 3.78Å |
| 98 | K | 96.9 | Very high | 96.6 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 24% | 0.243 | 17% | 0.173 | C | C | . | . | trans | -120.3 | 157.2 | 176.5 | -64.8 | -172.4 | -176.7 | -171.4 | 0 | 109.7 | T18 R20 G100 R101 | T18-K98 VanDerWaalsContact O-CE 3.25Å; T18-K98 WeakPolarHBondContact O-CE 3.32Å; T18-K98 PolarHBondContact O-NZ 3.3Å; R20-K98 WeakPolarHBondContact O-CD 3.48Å; K98-G100 PolarHBondContact O-N 2.94Å; K98-R101 WeakPolarHBondContact O-CB 3.48Å; K98-R101 PolarHBondContact O-N 3.44Å | ||
| 99 | P | 97.3 | Very high | 96.6 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 24% | 0.24 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 136.5 | 177 | -27.7 | 35.7 | 0 | 0 | 0 | 112.4 | S21 A36 T37 | S21-P99 VanDerWaalsContact CB-O 3.29Å; S21-P99 WeakPolarHBondContact CB-O 3.35Å; S21-P99 PolarHBondContact N-O 2.7Å; A36-P99 CarbonylContact O-C 3.4Å; A36-P99 WeakPolarHBondContact O-CA 3.26Å; T37-P99 WeakPolarHBondContact O-CB 3.24Å; T37-P99 WeakPolarHBondContact O-CG 3.26Å |
| 100 | G | 96.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 29 Ų | 29 | 19% | 0.186 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -17.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N25 Q35 A36 K98 I102 | N25-G100 VanDerWaalsContact CA-O 3.26Å; N25-G100 WeakPolarHBondContact CA-O 3.18Å; N25-G100 WeakPolarHBondContact CB-O 3.24Å; N25-G100 PolarHBondContact OD1-O 2.92Å; Q35-G100 WeakPolarHBondContact CG-O 3.35Å; Q35-G100 PolarHBondContact NE2-O 2.87Å; A36-G100 PolarHBondContact O-N 2.85Å; K98-G100 PolarHBondContact O-N 2.94Å; G100-I102 PolarHBondContact O-N 2.79Å |
| 101 | R | 97.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 29.9 Ų | 29.9 | 28% | 0.275 | 18% | 0.176 | S | C | . | . | trans | -69.6 | 129.9 | -177.8 | -174.5 | 64.8 | -178.1 | -162.8 | -1 | 111.6 | G23 Q35 A36 K67 I68 V97 K98 L103 | G23-R101 VanDerWaalsContact O-CD 3.3Å; G23-R101 WeakPolarHBondContact O-CD 3.19Å; G23-R101 PolarHBondContact O-NH1 3.34Å; Q35-R101 WeakPolarHBondContact CA-O 3.37Å; A36-R101 PolarHBondContact N-O 2.9Å; K67-R101 PolarHBondContact O-NH2 2.83Å; I68-R101 HydrophobicContact CG2-CG 4.1Å; V97-R101 HydrophobicContact CG1-CB 4.42Å; K98-R101 WeakPolarHBondContact O-CB 3.48Å; K98-R101 PolarHBondContact O-N 3.44Å; R101-L103 HydrophobicContact CG-CD2 4.26Å | ||
| 102 | I | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.5 | 165.9 | -55.4 | -55.7 | 0 | 0 | 0 | 109.2 | G24 Q35 K67 G100 F104 E105 V132 | G24-I102 PolarHBondContact O-N 2.64Å; Q35-I102 HydrophobicContact CB-CD1 3.66Å; Q35-I102 HydrophobicContact CG-CD1 3.91Å; K67-I102 VanDerWaalsContact CB-O 3.26Å; K67-I102 WeakPolarHBondContact CB-O 3.37Å; K67-I102 HydrophobicContact CG-CG2 4.18Å; G100-I102 PolarHBondContact O-N 2.79Å; I102-F104 WeakPolarHBondContact CG2-O 3.29Å; I102-E105 HydrophobicContact CG2-CG 3.72Å; I102-V132 HydrophobicContact CD1-CG2 3.69Å |
| 103 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -47.2 | -176.4 | -53.2 | -175.7 | 0 | 0 | 0 | 111.9 | L34 A36 I42 K67 I68 V97 R101 L125 V127 T129 | L34-L103 PolarHBondContact O-N 3.42Å; A36-L103 HydrophobicContact CB-CD1 4.21Å; A36-L103 HydrophobicContact CB-CD2 4.15Å; A36-L103 HydrophobicContact CB-CG 4.28Å; I42-L103 HydrophobicContact CD1-CD1 4.09Å; I42-L103 HydrophobicContact CD1-CD2 4.35Å; K67-L103 PolarHBondContact N-O 3.26Å; I68-L103 HydrophobicContact CD1-CD2 4.22Å; I68-L103 HydrophobicContact CG2-CD2 3.85Å; V97-L103 HydrophobicContact CB-CD2 4.39Å; V97-L103 HydrophobicContact CG1-CD2 3.66Å; V97-L103 HydrophobicContact CG2-CD2 3.78Å; R101-L103 HydrophobicContact CG-CD2 4.26Å; L103-L125 HydrophobicContact CD1-CD1 3.57Å; L103-V127 HydrophobicContact CD1-CG2 4.04Å; L103-T129 HydrophobicContact CD1-CG2 4.35Å |
| 104 | F | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.7 | -179.1 | -60.2 | -77.8 | 0 | 0 | 0 | 109.5 | G33 L34 I47 A50 M54 W65 I66 I102 L118 L125 | G33-F104 CarbonylContact C-O 3.44Å; G33-F104 VanDerWaalsContact CA-O 3.27Å; G33-F104 WeakPolarHBondContact CA-O 3.27Å; L34-F104 HydrophobicContact CD2-CD2 4.22Å; L34-F104 PolarHBondContact N-O 2.96Å; I47-F104 HydrophobicContact CG2-CE1 4.14Å; I47-F104 HydrophobicContact CG2-CZ 4.1Å; A50-F104 HydrophobicContact CB-CE2 3.7Å; A50-F104 HydrophobicContact CB-CZ 3.68Å; M54-F104 HydrophobicContact CE-CB 3.92Å; M54-F104 HydrophobicContact CE-CD1 3.48Å; M54-F104 VanDerWaalsContact CE-CD1 3.48Å; M54-F104 HydrophobicContact CE-CD2 4.03Å; M54-F104 HydrophobicContact CE-CE1 3.91Å; M54-F104 HydrophobicContact CE-CE2 4.41Å; M54-F104 HydrophobicContact CE-CG 3.54Å; M54-F104 HydrophobicContact CE-CZ 4.36Å; M54-F104 HydrophobicContact SD-CB 4.14Å; M54-F104 HydrophobicContact SD-CG 4.29Å; W65-F104 CarbonylContact O-C 3.51Å; W65-F104 VanDerWaalsContact O-CA 3.27Å; W65-F104 WeakPolarHBondContact O-CA 3.5Å; I66-F104 HydrophobicContact CB-CD1 4.29Å; I66-F104 HydrophobicContact CB-CE1 4.25Å; I66-F104 HydrophobicContact CD1-CE1 4.41Å; I66-F104 HydrophobicContact CG1-CD1 4.01Å; I66-F104 HydrophobicContact CG1-CE1 3.88Å; I66-F104 HydrophobicContact CG2-CD1 4.21Å; I66-F104 HydrophobicContact CG2-CE1 3.81Å; I102-F104 WeakPolarHBondContact CG2-O 3.29Å; F104-L118 HydrophobicContact CB-CD2 4.33Å; F104-L125 HydrophobicContact CE2-CD1 4.09Å; F104-L125 HydrophobicContact CE2-CD2 4.4Å |
| 105 | E | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150 | 169.6 | -56.8 | 175.1 | -167.1 | 0 | 0 | 109.6 | V27 T28 F29 G30 F32 V64 W65 K67 I102 | V27-E105 HydrophobicContact CG1-CB 4.49Å; V27-E105 HydrophobicContact CG1-CG 4.05Å; T28-E105 PolarHBondContact N-OE1 3.49Å; T28-E105 PolarHBondContact N-OE2 2.88Å; F29-E105 WeakPolarHBondContact CA-OE2 3.48Å; F29-E105 WeakPolarHBondContact CB-OE2 3.28Å; F29-E105 PolarHBondContact N-OE2 2.71Å; G30-E105 PolarHBondContact N-OE2 3.26Å; F32-E105 CarbonylContact O-C 3.6Å; F32-E105 WeakPolarHBondContact O-CA 3.24Å; V64-E105 CarbonylContact C-O 3.51Å; V64-E105 WeakPolarHBondContact CA-O 3.46Å; W65-E105 HydrophobicContact CB-CB 4.21Å; W65-E105 HydrophobicContact CE3-CB 4.35Å; W65-E105 PolarHBondContact N-O 3.29Å; W65-E105 PolarHBondContact O-N 3.02Å; K67-E105 HydrophobicContact CD-CG 4.21Å; K67-E105 VanDerWaalsContact CD-OE1 3.24Å; K67-E105 WeakPolarHBondContact CD-OE1 3.48Å; K67-E105 WeakPolarHBondContact CE-OE1 3.3Å; K67-E105 HydrophobicContact CG-CG 3.84Å; K67-E105 IonicContact NZ-OE1 2.98Å; K67-E105 PolarHBondContact NZ-OE1 3.34Å; K67-E105 IonicContact NZ-OE2 3.18Å; I102-E105 HydrophobicContact CG2-CG 3.72Å |
| 106 | V | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.8 | -177.8 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | E31 F32 M54 M58 K63 V64 V109 A114 L118 | E31-V106 PolarHBondContact N-O 3.39Å; F32-V106 PolarHBondContact N-O 2.97Å; F32-V106 PolarHBondContact O-N 3.09Å; M54-V106 HydrophobicContact SD-CG2 4.25Å; M58-V106 HydrophobicContact CE-CG1 3.32Å; M58-V106 HydrophobicContact SD-CG1 3.77Å; K63-V106 WeakPolarHBondContact O-CA 3.29Å; V64-V106 HydrophobicContact CG2-CG2 4.41Å; V106-V109 HydrophobicContact CG1-CG2 3.71Å; V106-A114 HydrophobicContact CG1-CB 4.48Å; V106-L118 HydrophobicContact CG2-CD1 4.49Å; V106-L118 HydrophobicContact CG2-CD2 3.91Å; V106-L118 HydrophobicContact CG2-CG 4.24Å |
| 107 | A | 96 | Very high | 96.8 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E31 G62 K63 W65 | E31-A107 HydrophobicContact CB-CB 4.47Å; E31-A107 HydrophobicContact CG-CB 3.96Å; E31-A107 VanDerWaalsContact OE2-CA 3.26Å; E31-A107 WeakPolarHBondContact OE2-CA 3.37Å; G62-A107 CarbonylContact C-O 3.51Å; G62-A107 WeakPolarHBondContact CA-O 3.08Å; K63-A107 PolarHBondContact N-O 2.72Å; K63-A107 PolarHBondContact O-N 3.05Å; W65-A107 HydrophobicContact CH2-CB 3.89Å; W65-A107 HydrophobicContact CZ3-CB 3.61Å |
| 108 | G | 95 | Very high | 96.8 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 60% | 0.598 | 20% | 0.203 | S | C | * | . | S | Bend | trans | 76.7 | 27.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E31 | E31-G108 PolarHBondContact OE2-N 3.3Š|
| 109 | V | 94.9 | Very high | 96.9 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 17% | 0.17 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -142.5 | 158.9 | 171.1 | -66.7 | 0 | 0 | 0 | 0 | 109 | M58 V106 V113 A114 | M58-V109 HydrophobicContact CB-CG1 4.46Å; M58-V109 HydrophobicContact CE-CB 4.27Å; M58-V109 HydrophobicContact CE-CG1 3.43Å; M58-V109 VanDerWaalsContact CE-CG1 3.43Å; M58-V109 HydrophobicContact CE-CG2 3.78Å; M58-V109 HydrophobicContact CG-CG1 4.35Å; V106-V109 HydrophobicContact CG1-CG2 3.71Å; V109-V113 HydrophobicContact CB-CB 4.2Å; V109-V113 HydrophobicContact CB-CG1 3.97Å; V109-V113 HydrophobicContact CG1-CG1 4.2Å; V109-V113 HydrophobicContact CG2-CG1 4.26Å; V109-A114 HydrophobicContact CG2-CB 3.93Å |
| 110 | S | 95.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | trans | -61.7 | 156.4 | 174.9 | 67 | 0 | 0 | 0 | 0 | 111.8 | E112 V113 A114 | S110-E112 VanDerWaalsContact C-N 3.25Å; S110-E112 PolarHBondContact O-N 3.17Å; S110-V113 PolarHBondContact O-N 3.12Å; S110-V113 VanDerWaalsContact O-N 3.15Å; S110-V113 WeakPolarHBondContact OG-CG2 3.3Å; S110-V113 PolarHBondContact OG-N 2.91Å; S110-A114 PolarHBondContact O-N 3.09Å | ||
| 111 | E | 95.7 | Very high | 97 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 178.7 | -176.7 | 168.9 | 154.2 | 0 | 0 | 112.2 | F32 A114 R115 F131 K133 | F32-E111 HydrophobicContact CD1-CG 4.42Å; F32-E111 HydrophobicContact CE1-CB 3.89Å; F32-E111 HydrophobicContact CE1-CG 3.61Å; F32-E111 HydrophobicContact CE2-CB 4.43Å; F32-E111 HydrophobicContact CZ-CB 3.59Å; F32-E111 HydrophobicContact CZ-CG 3.88Å; E111-A114 PolarHBondContact O-N 2.87Å; E111-R115 WeakPolarHBondContact O-CB 3.3Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.8Å; E111-R115 IonicContact OE1-NH2 2.74Å; E111-R115 PolarHBondContact OE1-NH2 3.33Å; E111-F131 HydrophobicContact CG-CZ 4.23Å; E111-K133 IonicContact OE2-NZ 2.92Å; E111-K133 PolarHBondContact OE2-NZ 3.3Å |
| 112 | E | 96.4 | Very high | 97 | Very high | 152 Ų | 152 | 37.2 Ų | 37.2 | 71% | 0.71 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.7 | -48 | 176.2 | -174.7 | -176.3 | -179.6 | 0 | 0 | 111.5 | S110 R115 E116 | S110-E112 VanDerWaalsContact C-N 3.25Å; S110-E112 PolarHBondContact O-N 3.17Å; E112-R115 PolarHBondContact O-N 3.4Å; E112-E116 PolarHBondContact O-N 3.13Å; E112-E116 VanDerWaalsContact O-N 3.09Å |
| 113 | V | 96.5 | Very high | 97 | Very high | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | Y57 M58 V109 S110 A117 | Y57-V113 HydrophobicContact CD1-CG1 4.22Å; Y57-V113 HydrophobicContact CE1-CG1 4.12Å; M58-V113 HydrophobicContact CG-CG1 4.11Å; V109-V113 HydrophobicContact CB-CB 4.2Å; V109-V113 HydrophobicContact CB-CG1 3.97Å; V109-V113 HydrophobicContact CG1-CG1 4.2Å; V109-V113 HydrophobicContact CG2-CG1 4.26Å; S110-V113 PolarHBondContact O-N 3.12Å; S110-V113 VanDerWaalsContact O-N 3.15Å; S110-V113 WeakPolarHBondContact OG-CG2 3.3Å; S110-V113 PolarHBondContact OG-N 2.91Å; V113-A117 VanDerWaalsContact O-CB 3.24Å; V113-A117 WeakPolarHBondContact O-CB 3.42Å; V113-A117 PolarHBondContact O-N 3.1Å |
| 114 | A | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F32 V106 V109 S110 E111 A117 L118 F131 | F32-A114 HydrophobicContact CB-CB 4.12Å; F32-A114 HydrophobicContact CD2-CB 3.33Å; F32-A114 HydrophobicContact CE2-CB 3.87Å; F32-A114 HydrophobicContact CG-CB 3.79Å; V106-A114 HydrophobicContact CG1-CB 4.48Å; V109-A114 HydrophobicContact CG2-CB 3.93Å; S110-A114 PolarHBondContact O-N 3.09Å; E111-A114 PolarHBondContact O-N 2.87Å; A114-A117 PolarHBondContact O-N 3.29Å; A114-L118 WeakPolarHBondContact O-CB 3.21Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.25Å; A114-L118 PolarHBondContact O-N 2.87Å; A114-F131 HydrophobicContact CB-CE2 4.44Å |
| 115 | R | 97.1 | Very high | 97 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 46% | 0.457 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | -179.7 | -175.7 | 177.4 | -63.8 | -85.4 | 0.3 | 111.1 | E111 E112 R119 F131 | E111-R115 WeakPolarHBondContact O-CB 3.3Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.8Å; E111-R115 IonicContact OE1-NH2 2.74Å; E111-R115 PolarHBondContact OE1-NH2 3.33Å; E112-R115 PolarHBondContact O-N 3.4Å; R115-R119 WeakPolarHBondContact O-CB 3.46Å; R115-R119 PolarHBondContact O-N 3.28Å; R115-F131 HydrophobicContact CB-CD2 4.38Å; R115-F131 HydrophobicContact CB-CE2 4.02Å; R115-F131 HydrophobicContact CB-CZ 4.36Å; R115-F131 HydrophobicContact CG-CD2 4.49Å |
| 116 | E | 97.4 | Very high | 97 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.6 | -40.8 | 179.7 | -175 | 55.3 | -158 | 0 | 0 | 112.2 | Y57 E112 L118 R119 L120 | Y57-E116 HydrophobicContact CD1-CB 4.38Å; Y57-E116 HydrophobicContact CD1-CG 4.38Å; Y57-E116 HydrophobicContact CD2-CG 4.31Å; Y57-E116 HydrophobicContact CE1-CB 3.59Å; Y57-E116 HydrophobicContact CE1-CG 3.65Å; Y57-E116 HydrophobicContact CE2-CB 4.44Å; Y57-E116 HydrophobicContact CE2-CG 3.57Å; Y57-E116 VanDerWaalsContact OH-CG 3.24Å; Y57-E116 WeakPolarHBondContact OH-CG 3.22Å; E112-E116 PolarHBondContact O-N 3.13Å; E112-E116 VanDerWaalsContact O-N 3.09Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.98Å; E116-R119 VanDerWaalsContact CD-NE 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.28Å; E116-R119 PolarHBondContact O-N 3.18Å; E116-R119 IonicContact OE1-CZ 3.3Å; E116-R119 VanDerWaalsContact OE1-CZ 3.3Å; E116-R119 IonicContact OE1-NE 3.15Å; E116-R119 PolarHBondContact OE1-NE 3.09Å; E116-R119 VanDerWaalsContact OE1-NE 3.15Å; E116-R119 IonicContact OE1-NH2 2.64Å; E116-R119 PolarHBondContact OE1-NH2 2.88Å; E116-R119 WeakPolarHBondContact OE2-CD 3.27Å; E116-R119 IonicContact OE2-CZ 3.66Å; E116-R119 IonicContact OE2-NE 2.75Å; E116-R119 PolarHBondContact OE2-NE 2.79Å; E116-R119 IonicContact OE2-NH2 3.75Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 2.92Å |
| 117 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.9 | -47 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | M54 Y57 M58 V113 A114 L120 A121 | M54-A117 HydrophobicContact CB-CB 4.39Å; M54-A117 HydrophobicContact CG-CB 4.41Å; M54-A117 WeakPolarHBondContact CG-O 3.32Å; Y57-A117 HydrophobicContact CD1-CB 3.89Å; Y57-A117 HydrophobicContact CG-CB 4.5Å; M58-A117 HydrophobicContact CG-CB 3.96Å; M58-A117 HydrophobicContact SD-CB 4.3Å; V113-A117 VanDerWaalsContact O-CB 3.24Å; V113-A117 WeakPolarHBondContact O-CB 3.42Å; V113-A117 PolarHBondContact O-N 3.1Å; A114-A117 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 2.74Å; A117-A121 PolarHBondContact O-N 3.31Å |
| 118 | L | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.1 | -32.1 | -179.4 | -71.1 | 169.7 | 0 | 0 | 0 | 112.2 | F32 L34 M54 F104 V106 A114 E116 A121 S122 F131 | F32-L118 HydrophobicContact CB-CD1 4.15Å; L34-L118 HydrophobicContact CB-CD2 3.81Å; L34-L118 HydrophobicContact CD1-CB 4.3Å; M54-L118 HydrophobicContact SD-CD2 3.55Å; M54-L118 VanDerWaalsContact SD-CD2 3.55Å; F104-L118 HydrophobicContact CB-CD2 4.33Å; V106-L118 HydrophobicContact CG2-CD1 4.49Å; V106-L118 HydrophobicContact CG2-CD2 3.91Å; V106-L118 HydrophobicContact CG2-CG 4.24Å; A114-L118 WeakPolarHBondContact O-CB 3.21Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.25Å; A114-L118 PolarHBondContact O-N 2.87Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.98Å; L118-A121 WeakPolarHBondContact O-CB 3.42Å; L118-A121 PolarHBondContact O-N 2.87Å; L118-S122 PolarHBondContact O-N 2.98Å; L118-F131 HydrophobicContact CB-CD2 4.41Å; L118-F131 HydrophobicContact CD1-CD2 3.66Å; L118-F131 HydrophobicContact CD1-CE2 3.72Å |
| 119 | R | 98 | Very high | 97.2 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 42% | 0.419 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 170.9 | -170 | -167.7 | 73.6 | 82.4 | 4.8 | 110.8 | R115 E116 A121 S122 H123 | R115-R119 WeakPolarHBondContact O-CB 3.46Å; R115-R119 PolarHBondContact O-N 3.28Å; E116-R119 VanDerWaalsContact CD-NE 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.28Å; E116-R119 PolarHBondContact O-N 3.18Å; E116-R119 IonicContact OE1-CZ 3.3Å; E116-R119 VanDerWaalsContact OE1-CZ 3.3Å; E116-R119 IonicContact OE1-NE 3.15Å; E116-R119 PolarHBondContact OE1-NE 3.09Å; E116-R119 VanDerWaalsContact OE1-NE 3.15Å; E116-R119 IonicContact OE1-NH2 2.64Å; E116-R119 PolarHBondContact OE1-NH2 2.88Å; E116-R119 WeakPolarHBondContact OE2-CD 3.27Å; E116-R119 IonicContact OE2-CZ 3.66Å; E116-R119 IonicContact OE2-NE 2.75Å; E116-R119 PolarHBondContact OE2-NE 2.79Å; E116-R119 IonicContact OE2-NH2 3.75Å; R119-A121 VanDerWaalsContact C-N 3.28Å; R119-A121 PolarHBondContact O-N 3.09Å; R119-S122 PolarHBondContact O-N 3.4Å; R119-S122 VanDerWaalsContact O-N 3.14Å; R119-S122 PolarHBondContact O-OG 2.9Å; R119-H123 PolarHBondContact NH1-NE2 2.73Å; R119-H123 PolarHBondContact O-CD2 3.21Å; R119-H123 PolarHBondContact O-N 2.77Å |
| 120 | L | 97.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 63 Ų | 63 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 176.3 | -67.6 | 174.5 | 0 | 0 | 0 | 112.3 | Y57 E116 A117 | Y57-L120 HydrophobicContact CD2-CD1 3.45Å; Y57-L120 VanDerWaalsContact CD2-CD1 3.45Å; Y57-L120 HydrophobicContact CE2-CD1 4.2Å; Y57-L120 HydrophobicContact CG-CD1 3.79Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 2.92Å; A117-L120 PolarHBondContact O-N 2.74Å |
| 121 | A | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L34 A50 M54 A117 L118 R119 H123 K124 | L34-A121 HydrophobicContact CD2-CB 4.37Å; A50-A121 HydrophobicContact CB-CB 4.2Å; M54-A121 HydrophobicContact CE-CB 4.4Å; M54-A121 HydrophobicContact CG-CB 3.55Å; M54-A121 HydrophobicContact SD-CB 3.84Å; A117-A121 PolarHBondContact O-N 3.31Å; L118-A121 WeakPolarHBondContact O-CB 3.42Å; L118-A121 PolarHBondContact O-N 2.87Å; R119-A121 VanDerWaalsContact C-N 3.28Å; R119-A121 PolarHBondContact O-N 3.09Å; A121-H123 VanDerWaalsContact C-N 3.27Å; A121-H123 PolarHBondContact O-N 3.16Å; A121-K124 WeakPolarHBondContact O-CB 3.21Å; A121-K124 PolarHBondContact O-N 2.75Å |
| 122 | S | 97.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -35.6 | -178.6 | 72 | 0 | 0 | 0 | 0 | 113.3 | L118 R119 K124 L125 T129 | L118-S122 PolarHBondContact O-N 2.98Å; R119-S122 PolarHBondContact O-N 3.4Å; R119-S122 VanDerWaalsContact O-N 3.14Å; R119-S122 PolarHBondContact O-OG 2.9Å; S122-K124 PolarHBondContact O-N 2.81Å; S122-K124 VanDerWaalsContact O-N 3.09Å; S122-L125 PolarHBondContact O-N 3.45Å; S122-T129 WeakPolarHBondContact CB-OG1 3.33Å |
| 123 | H | 98 | Very high | 97.4 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 57% | 0.574 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.1 | 177 | -69.1 | -53.8 | 0 | 0 | 0 | 113.7 | R119 A121 | R119-H123 PolarHBondContact NH1-NE2 2.73Å; R119-H123 PolarHBondContact O-CD2 3.21Å; R119-H123 PolarHBondContact O-N 2.77Å; A121-H123 VanDerWaalsContact C-N 3.27Å; A121-H123 PolarHBondContact O-N 3.16Å |
| 124 | K | 98 | Very high | 97.2 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 48% | 0.478 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -4.1 | 176.7 | -52.9 | -53.4 | 179.5 | -171.8 | 0 | 113 | S49 A50 A53 A121 S122 | S49-K124 WeakPolarHBondContact OG-CB 3.23Å; A50-K124 HydrophobicContact CB-CB 4.29Å; A53-K124 HydrophobicContact CB-CG 4.47Å; A121-K124 WeakPolarHBondContact O-CB 3.21Å; A121-K124 PolarHBondContact O-N 2.75Å; S122-K124 PolarHBondContact O-N 2.81Å; S122-K124 VanDerWaalsContact O-N 3.09Å |
| 125 | L | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 70.4 Ų | 70.4 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -111 | 143.7 | -174 | -60.7 | 176.8 | 0 | 0 | 0 | 111.9 | L34 I42 Q46 A50 L103 F104 S122 V127 T129 | L34-L125 HydrophobicContact CD2-CD1 3.94Å; I42-L125 HydrophobicContact CD1-CD2 4.33Å; I42-L125 HydrophobicContact CG2-CD2 3.98Å; Q46-L125 HydrophobicContact CB-CD2 4.39Å; A50-L125 HydrophobicContact CB-CD2 4.07Å; A50-L125 HydrophobicContact CB-CG 4.36Å; L103-L125 HydrophobicContact CD1-CD1 3.57Å; F104-L125 HydrophobicContact CE2-CD1 4.09Å; F104-L125 HydrophobicContact CE2-CD2 4.4Å; S122-L125 PolarHBondContact O-N 3.45Å; L125-V127 HydrophobicContact CB-CG2 4Å; L125-V127 HydrophobicContact CD1-CG2 4.46Å; L125-V127 PolarHBondContact O-N 3.26Å; L125-V127 VanDerWaalsContact O-N 3.07Å; L125-T129 HydrophobicContact CD1-CG2 4.45Å |
| 126 | P | 97.7 | Very high | 94.9 | Very high | 56 Ų | 56 | 74 Ų | 74 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -85.5 | 39.1 | 178.5 | 38.2 | -38.4 | 0 | 0 | 0 | 112 | S40 | S40-P126 WeakPolarHBondContact CB-O 3.32Å; S40-P126 WeakPolarHBondContact OG-CG 3.13Å; S40-P126 PolarHBondContact OG-O 3.09Å |
| 127 | V | 96.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 79.1 Ų | 79.1 | 9% | 0.085 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -142.2 | 148.9 | -179.8 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | A36 T38 I42 L103 L125 T129 | A36-V127 HydrophobicContact CB-CG2 4.45Å; T38-V127 WeakPolarHBondContact OG1-CA 3.45Å; I42-V127 HydrophobicContact CD1-CG2 4.21Å; L103-V127 HydrophobicContact CD1-CG2 4.04Å; L125-V127 HydrophobicContact CB-CG2 4Å; L125-V127 HydrophobicContact CD1-CG2 4.46Å; L125-V127 PolarHBondContact O-N 3.26Å; L125-V127 VanDerWaalsContact O-N 3.07Å; V127-T129 HydrophobicContact CG2-CG2 3.92Å |
| 128 | K | 97.7 | Very high | 90.1 | Very high | 155 Ų | 155 | 82.3 Ų | 82.3 | 67% | 0.674 | 40% | 0.402 | S | S | * | . | trans | -73.4 | 137.2 | 166.3 | -65.8 | -176.8 | -179.7 | -176.5 | 0 | 108.9 | T37 T38 | T37-K128 PolarHBondContact N-O 3.15Å; T37-K128 VanDerWaalsContact OG1-C 3.28Å; T37-K128 WeakPolarHBondContact OG1-CB 3.39Å; T37-K128 PolarHBondContact OG1-O 2.95Å; T38-K128 HydrophobicContact CG2-CB 3.99Å; T38-K128 HydrophobicContact CG2-CD 4.09Å; T38-K128 HydrophobicContact CG2-CG 4.13Å; T38-K128 PolarHBondContact OG1-N 2.89Å | ||
| 129 | T | 98 | Very high | 87.5 | Confident | 39 Ų | 39 | 85.6 Ų | 85.6 | 24% | 0.239 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.9 | -175 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | L34 Q35 L103 S122 L125 V127 | L34-T129 HydrophobicContact CD1-CG2 4.13Å; L34-T129 HydrophobicContact CD2-CG2 4.09Å; L34-T129 HydrophobicContact CG-CG2 3.93Å; Q35-T129 CarbonylContact O-C 3.58Å; Q35-T129 WeakPolarHBondContact O-CA 3.4Å; Q35-T129 WeakPolarHBondContact O-CB 3.38Å; L103-T129 HydrophobicContact CD1-CG2 4.35Å; S122-T129 WeakPolarHBondContact CB-OG1 3.33Å; L125-T129 HydrophobicContact CD1-CG2 4.45Å; V127-T129 HydrophobicContact CG2-CG2 3.92Å |
| 130 | K | 97.2 | Very high | 84.6 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137 | 173 | -176.9 | -179.2 | 177.2 | -174.8 | 0 | 109.4 | Q35 T37 V132 | Q35-K130 PolarHBondContact N-O 2.84Å; Q35-K130 PolarHBondContact O-N 2.94Å; T37-K130 HydrophobicContact CG2-CB 4.01Å; K130-V132 HydrophobicContact CG-CG1 4.48Å |
| 131 | F | 97.6 | Very high | 81.8 | Confident | 43 Ų | 43 | 91.8 Ų | 91.8 | 19% | 0.189 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.8 | 168.5 | 176.7 | -88.3 | 0 | 0 | 0 | 109.4 | F32 E111 A114 R115 L118 | F32-F131 HydrophobicContact CB-CE2 3.85Å; F32-F131 HydrophobicContact CB-CZ 3.9Å; F32-F131 AromaticContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE2 4.09Å; F32-F131 AromaticContact CD1-CZ 3.27Å; F32-F131 HydrophobicContact CD1-CZ 3.27Å; F32-F131 AromaticContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CG-CE2 4.14Å; F32-F131 AromaticContact CG-CZ 3.77Å; F32-F131 HydrophobicContact CG-CZ 3.77Å; E111-F131 HydrophobicContact CG-CZ 4.23Å; A114-F131 HydrophobicContact CB-CE2 4.44Å; R115-F131 HydrophobicContact CB-CD2 4.38Å; R115-F131 HydrophobicContact CB-CE2 4.02Å; R115-F131 HydrophobicContact CB-CZ 4.36Å; R115-F131 HydrophobicContact CG-CD2 4.49Å; L118-F131 HydrophobicContact CB-CD2 4.41Å; L118-F131 HydrophobicContact CD1-CD2 3.66Å; L118-F131 HydrophobicContact CD1-CE2 3.72Å |
| 132 | V | 96.2 | Very high | 79 | Confident | 25 Ų | 25 | 98.8 Ų | 98.8 | 15% | 0.152 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.4 | 177.7 | -65.1 | 0 | 0 | 0 | 0 | 109.8 | V27 F32 G33 Q35 I102 K130 | V27-V132 HydrophobicContact CG2-CG2 3.67Å; F32-V132 CarbonylContact C-O 3.52Å; F32-V132 WeakPolarHBondContact CA-O 3.13Å; G33-V132 PolarHBondContact N-O 2.9Å; G33-V132 WeakPolarHBondContact O-CG2 3.29Å; G33-V132 PolarHBondContact O-N 2.92Å; Q35-V132 HydrophobicContact CB-CG1 4.09Å; Q35-V132 HydrophobicContact CB-CG2 4.46Å; I102-V132 HydrophobicContact CD1-CG2 3.69Å; K130-V132 HydrophobicContact CG-CG1 4.48Å |
| 133 | K | 95.5 | Very high | 76.4 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 53% | 0.53 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 151.3 | 168.8 | -167 | 169 | -174.9 | 163.9 | 0 | 108.1 | F32 E111 E135 | F32-K133 HydrophobicContact CD1-CB 4.33Å; F32-K133 HydrophobicContact CD1-CG 4Å; F32-K133 HydrophobicContact CE1-CD 4.01Å; F32-K133 HydrophobicContact CE1-CG 3.87Å; E111-K133 IonicContact OE2-NZ 2.92Å; E111-K133 PolarHBondContact OE2-NZ 3.3Å; K133-E135 PolarHBondContact O-N 3.2Å |
| 134 | R | 92.1 | Very high | 74 | Confident | 130 Ų | 130 | 109.3 Ų | 109.3 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 119 | 169.6 | -174.3 | 172.8 | -178.9 | 166.6 | 0.3 | 108 | V27 T28 G30 E31 | V27-R134 HydrophobicContact CB-CB 4.15Å; V27-R134 HydrophobicContact CB-CG 4.44Å; V27-R134 HydrophobicContact CG1-CB 4.1Å; T28-R134 PolarHBondContact O-NH1 3.4Å; T28-R134 VanDerWaalsContact O-NH1 3.09Å; G30-R134 WeakPolarHBondContact O-CD 3.44Å; E31-R134 PolarHBondContact O-N 3.05Å |
| 135 | E | 82.3 | Confident | 72.8 | Confident | 163 Ų | 163 | 109.3 Ų | 109.3 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -75 | 130.1 | 167.8 | -68.9 | 172.6 | -178.2 | 0 | 0 | 107.4 | K133 L137 | K133-E135 PolarHBondContact O-N 3.2Å; E135-L137 PolarHBondContact O-N 3.42Å |
| 136 | E | 64.2 | Low | 71.5 | Confident | 196 Ų | 196 | 114.2 Ų | 114.2 | 92% | 0.916 | 61% | 0.614 | S | S | * | * | trans | -67.4 | 89.1 | 164.5 | -75.5 | -178.1 | 168.7 | 0 | 0 | 107.2 | G138 | E136-G138 PolarHBondContact O-N 2.68Š| ||
| 137 | L | 55.8 | Low | 70.1 | Confident | 158 Ų | 158 | 117.4 Ų | 117.4 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | trans | -65.8 | 98.3 | 155.2 | -90.7 | 142.7 | 0 | 0 | 0 | 105.2 | E135 G139 | E135-L137 PolarHBondContact O-N 3.42Å; L137-G139 PolarHBondContact O-N 2.6Å | ||
| 138 | G | 38 | Very low | 68.5 | Low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | trans | -44.1 | 109.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | E136 E140 | E136-G138 PolarHBondContact O-N 2.68Å; G138-E140 PolarHBondContact O-N 3.28Å | ||
| 139 | G | 43 | Very low | 66.7 | Low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | trans | -70.2 | 87.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | L137 T141 | L137-G139 PolarHBondContact O-N 2.6Å; G139-T141 PolarHBondContact O-N 3.1Å | ||
| 140 | E | 36.6 | Very low | 64.6 | Low | 171 Ų | 171 | 127 Ų | 127 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -60.5 | 92.6 | 152.8 | -73.2 | -179.7 | 173.8 | 0 | 0 | 105.8 | G138 N142 | G138-E140 PolarHBondContact O-N 3.28Å; E140-N142 PolarHBondContact O-N 2.97Å | ||
| 141 | T | 40.1 | Very low | 62.3 | Low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | trans | -54.4 | 96.1 | 152.3 | 33.2 | 0 | 0 | 0 | 0 | 106.3 | G139 E143 | G139-T141 PolarHBondContact O-N 3.1Å; T141-E143 PolarHBondContact O-N 3.14Å | ||
| 142 | N | 39.3 | Very low | 59.5 | Low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -66.1 | 80.3 | 158.8 | -76.7 | -25.7 | 0 | 0 | 0 | 107 | E140 | E140-N142 PolarHBondContact O-N 2.97Š| ||
| 143 | E | 43.1 | Very low | 56.5 | Low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -85.4 | 104.2 | 156.2 | -72.6 | -170.1 | 172.4 | 0 | 0 | 107.2 | T141 | T141-E143 PolarHBondContact O-N 3.14Š| ||
| 144 | S | 47.8 | Very low | 52.9 | Low | 192 Ų | 192 | 144.4 Ų | 144.4 | 100% | 1.343 | 81% | 0.807 | S | S | * | * | trans | -141.9 | 0 | 154.5 | -62.6 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 144 of 144 residues in 318 ms
(Link to these results)