| 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 | 92.5 | Very high | 90 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 18% | 0.177 | 30% | 0.303 | C | S | . | . | 0 | 142.9 | 0 | 64.9 | -178.2 | -179 | 0 | 0 | 109.2 | L3 V17 L60 L65 | M1-L3 HydrophobicContact CE-CD1 4.27Å; M1-L3 HydrophobicContact CE-CD2 4.23Å; M1-L3 HydrophobicContact CG-CD2 4.49Å; M1-L3 HydrophobicContact SD-CD2 4.36Å; M1-V17 HydrophobicContact CE-CG2 3.95Å; M1-V17 HydrophobicContact CG-CG2 3.82Å; M1-V17 PolarHBondContact N-O 3.1Å; M1-V17 PolarHBondContact O-N 3.45Å; M1-V17 VanDerWaalsContact O-O 3.11Å; M1-L60 HydrophobicContact CE-CB 3.36Å; M1-L60 HydrophobicContact CE-CD1 3.66Å; M1-L60 HydrophobicContact CE-CG 4.16Å; M1-L65 HydrophobicContact CE-CB 4.45Å | |||
| 2 | E | 94.3 | Very high | 90.2 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.2 | 176.8 | -174.3 | -179.4 | -169.4 | 0 | 0 | 109.2 | P14 S67 G68 | E2-P14 HydrophobicContact CG-CB 4.3Å; E2-P14 WeakPolarHBondContact OE1-CB 3.15Å; E2-S67 PolarHBondContact N-OG 2.91Å; E2-S67 CarbonylContact O-C 3.57Å; E2-S67 WeakPolarHBondContact O-CA 3.41Å; E2-G68 PolarHBondContact O-N 3.17Å |
| 3 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 147.5 | 176.6 | -60.4 | 175.5 | 0 | 0 | 0 | 109.4 | M1 I5 P14 L15 V17 L26 L60 H66 V71 | M1-L3 HydrophobicContact CE-CD1 4.27Å; M1-L3 HydrophobicContact CE-CD2 4.23Å; M1-L3 HydrophobicContact CG-CD2 4.49Å; M1-L3 HydrophobicContact SD-CD2 4.36Å; L3-I5 HydrophobicContact CB-CD1 4.19Å; L3-P14 CarbonylContact O-C 3.59Å; L3-P14 WeakPolarHBondContact O-CA 3.13Å; L3-L15 PolarHBondContact N-O 2.94Å; L3-L15 PolarHBondContact O-N 2.91Å; L3-V17 HydrophobicContact CD1-CG2 3.68Å; L3-V17 HydrophobicContact CG-CG2 4.12Å; L3-L26 HydrophobicContact CD1-CD1 4.43Å; L3-L26 HydrophobicContact CD1-CD2 4.4Å; L3-L60 HydrophobicContact CD1-CD1 3.79Å; L3-H66 WeakPolarHBondContact CD2-O 3.46Å; L3-V71 HydrophobicContact CD1-CG2 4.4Å |
| 4 | T | 95.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.6 | 167.3 | -54.5 | 0 | 0 | 0 | 0 | 109 | S69 K70 V71 | T4-S69 PolarHBondContact N-O 3.49Å; T4-K70 CarbonylContact O-C 3.57Å; T4-K70 WeakPolarHBondContact O-CA 3.06Å; T4-V71 PolarHBondContact O-N 2.85Å |
| 5 | I | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117.7 | 175.2 | -51 | -53.6 | 0 | 0 | 0 | 108.1 | L3 S12 H13 L15 L26 I30 F34 V71 V73 | L3-I5 HydrophobicContact CB-CD1 4.19Å; I5-S12 CarbonylContact O-C 3.6Å; I5-S12 VanDerWaalsContact O-CA 3.26Å; I5-S12 WeakPolarHBondContact O-CA 3.25Å; I5-H13 PolarHBondContact N-O 2.84Å; I5-H13 PolarHBondContact O-N 3.13Å; I5-L15 HydrophobicContact CD1-CB 4.44Å; I5-L15 HydrophobicContact CD1-CD2 4.46Å; I5-L15 HydrophobicContact CG1-CB 3.81Å; I5-L15 HydrophobicContact CG1-CD2 4.18Å; I5-L26 HydrophobicContact CD1-CD1 4.2Å; I5-I30 HydrophobicContact CG2-CD1 4.3Å; I5-I30 HydrophobicContact CG2-CG1 4.28Å; I5-F34 HydrophobicContact CB-CE2 4.31Å; I5-F34 HydrophobicContact CB-CZ 4.37Å; I5-F34 HydrophobicContact CG2-CE2 3.94Å; I5-F34 HydrophobicContact CG2-CZ 4.32Å; I5-V71 CarbonylContact C-O 3.47Å; I5-V71 WeakPolarHBondContact CA-O 3.47Å; I5-V71 HydrophobicContact CD1-CB 3.87Å; I5-V71 HydrophobicContact CD1-CG1 4.41Å; I5-V71 HydrophobicContact CD1-CG2 4.34Å; I5-V73 HydrophobicContact CG2-CG2 3.49Å; I5-V73 VanDerWaalsContact CG2-CG2 3.49Å |
| 6 | T | 93.7 | Very high | 91.2 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 110 | D11 S12 V71 M72 V73 | T6-D11 CarbonylContact C-O 3.54Å; T6-D11 WeakPolarHBondContact CA-O 3.47Å; T6-S12 WeakPolarHBondContact CG2-OG 3.26Å; T6-S12 PolarHBondContact OG1-OG 2.7Å; T6-V71 PolarHBondContact N-O 2.77Å; T6-M72 CarbonylContact O-C 3.54Å; T6-M72 WeakPolarHBondContact O-CA 3.49Å; T6-V73 PolarHBondContact O-N 3.49Å |
| 7 | L | 89.8 | Confident | 91.4 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 163.1 | 173.6 | -58.7 | -179.3 | 0 | 0 | 0 | 110.6 | N9 G10 D11 F34 V73 | L7-N9 VanDerWaalsContact CB-OD1 3.27Å; L7-N9 WeakPolarHBondContact CB-OD1 3.28Å; L7-N9 PolarHBondContact O-N 3.42Å; L7-G10 PolarHBondContact O-N 3.15Å; L7-D11 PolarHBondContact N-O 3.26Å; L7-F34 HydrophobicContact CD1-CD1 3.99Å; L7-F34 HydrophobicContact CD1-CG 4.44Å; L7-F34 HydrophobicContact CD2-CG 4.49Å; L7-V73 HydrophobicContact CD2-CB 3.88Å; L7-V73 HydrophobicContact CD2-CG1 4.27Å; L7-V73 HydrophobicContact CD2-CG2 4.11Å |
| 8 | L | 81.5 | Confident | 91.5 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 58% | 0.581 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.6 | -178.7 | -66.3 | 169.1 | 0 | 0 | 0 | 114.7 | G10 L74 | L8-G10 PolarHBondContact O-N 3.5Å; L8-L74 HydrophobicContact CD1-CD1 3.67Å; L8-L74 HydrophobicContact CD1-CG 4.39Å; L8-L74 HydrophobicContact CD2-CB 4.41Å; L8-L74 HydrophobicContact CD2-CD1 3.58Å; L8-L74 HydrophobicContact CG-CD1 4.16Å |
| 9 | N | 83.1 | Confident | 90.8 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -2.5 | 175.7 | 66.3 | -9.5 | 0 | 0 | 0 | 112.6 | L7 D11 | L7-N9 VanDerWaalsContact CB-OD1 3.27Å; L7-N9 WeakPolarHBondContact CB-OD1 3.28Å; L7-N9 PolarHBondContact O-N 3.42Å; N9-D11 PolarHBondContact ND2-OD2 2.8Å; N9-D11 VanDerWaalsContact OD1-CB 3.32Å; N9-D11 WeakPolarHBondContact OD1-CB 3.33Å; N9-D11 PolarHBondContact OD1-N 3.33Å |
| 10 | G | 81.6 | Confident | 90.8 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 94 | -11.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L7 L8 S12 | L7-G10 PolarHBondContact O-N 3.15Å; L8-G10 PolarHBondContact O-N 3.5Å; G10-S12 PolarHBondContact O-N 2.91Å |
| 11 | D | 88.6 | Confident | 91 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | trans | -66 | 133.9 | -179.8 | -66.6 | -21.2 | 0 | 0 | 0 | 110.3 | T6 L7 N9 | T6-D11 CarbonylContact C-O 3.54Å; T6-D11 WeakPolarHBondContact CA-O 3.47Å; L7-D11 PolarHBondContact N-O 3.26Å; N9-D11 PolarHBondContact ND2-OD2 2.8Å; N9-D11 VanDerWaalsContact OD1-CB 3.32Å; N9-D11 WeakPolarHBondContact OD1-CB 3.33Å; N9-D11 PolarHBondContact OD1-N 3.33Å | ||
| 12 | S | 92.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.7 | -178.1 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | I5 T6 G10 | I5-S12 CarbonylContact O-C 3.6Å; I5-S12 VanDerWaalsContact O-CA 3.26Å; I5-S12 WeakPolarHBondContact O-CA 3.25Å; T6-S12 WeakPolarHBondContact CG2-OG 3.26Å; T6-S12 PolarHBondContact OG1-OG 2.7Å; G10-S12 PolarHBondContact O-N 2.91Å |
| 13 | H | 93.3 | Very high | 91.3 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 39% | 0.394 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135 | -177 | -65.5 | -89 | 0 | 0 | 0 | 110.7 | I5 F34 | I5-H13 PolarHBondContact N-O 2.84Å; I5-H13 PolarHBondContact O-N 3.13Å; H13-F34 HydrophobicContact CB-CE1 3.9Å; H13-F34 HydrophobicContact CB-CZ 3.74Å; H13-F34 AromaticContact CD2-CE1 3.47Å; H13-F34 VanDerWaalsContact CD2-CE1 3.47Å; H13-F34 WeakPolarHBondContact CD2-CE1 3.46Å; H13-F34 AromaticContact CG-CE1 3.72Å |
| 14 | P | 94.9 | Very high | 91.3 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 138.2 | 173.3 | 30.1 | -33 | 0 | 0 | 0 | 110.4 | E2 L3 | E2-P14 HydrophobicContact CG-CB 4.3Å; E2-P14 WeakPolarHBondContact OE1-CB 3.15Å; L3-P14 CarbonylContact O-C 3.59Å; L3-P14 WeakPolarHBondContact O-CA 3.13Å |
| 15 | L | 94.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.1 | 174.1 | -168 | 72.7 | 0 | 0 | 0 | 109.3 | L3 I5 V17 L26 L29 | L3-L15 PolarHBondContact N-O 2.94Å; L3-L15 PolarHBondContact O-N 2.91Å; I5-L15 HydrophobicContact CD1-CB 4.44Å; I5-L15 HydrophobicContact CD1-CD2 4.46Å; I5-L15 HydrophobicContact CG1-CB 3.81Å; I5-L15 HydrophobicContact CG1-CD2 4.18Å; L15-V17 HydrophobicContact CD2-CG1 4.02Å; L15-V17 HydrophobicContact CG-CG1 4.12Å; L15-L26 HydrophobicContact CD2-CD1 3.7Å; L15-L29 HydrophobicContact CD2-CB 4.02Å; L15-L29 HydrophobicContact CD2-CD1 4.32Å |
| 16 | T | 94.4 | Very high | 91.3 | Very high | 110 Ų | 110 | 58 Ų | 58 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.2 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 110 | ||
| 17 | V | 94.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | trans | -129.4 | 158.2 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | M1 L3 L15 T21 L26 L29 L60 | M1-V17 HydrophobicContact CE-CG2 3.95Å; M1-V17 HydrophobicContact CG-CG2 3.82Å; M1-V17 PolarHBondContact N-O 3.1Å; M1-V17 PolarHBondContact O-N 3.45Å; M1-V17 VanDerWaalsContact O-O 3.11Å; L3-V17 HydrophobicContact CD1-CG2 3.68Å; L3-V17 HydrophobicContact CG-CG2 4.12Å; L15-V17 HydrophobicContact CD2-CG1 4.02Å; L15-V17 HydrophobicContact CG-CG1 4.12Å; V17-T21 HydrophobicContact CB-CG2 4.33Å; V17-L26 HydrophobicContact CG1-CD1 4.31Å; V17-L29 HydrophobicContact CG1-CD1 3.75Å; V17-L60 HydrophobicContact CG2-CD1 3.86Å | ||
| 18 | Q | 92.1 | Very high | 91.6 | Very high | 120 Ų | 120 | 59.2 Ų | 59.2 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | trans | -70.7 | 148.5 | 173.2 | -64.5 | -62.1 | -21.3 | 0 | 0 | 110.5 | H20 T21 | Q18-H20 VanDerWaalsContact C-N 3.25Å; Q18-H20 PolarHBondContact O-N 3.03Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.48Å; Q18-T21 PolarHBondContact N-OG1 3.44Å; Q18-T21 VanDerWaalsContact N-OG1 3.08Å; Q18-T21 WeakPolarHBondContact O-CB 3.27Å; Q18-T21 PolarHBondContact O-N 3.19Å; Q18-T21 PolarHBondContact O-OG1 2.97Å | ||
| 19 | P | 79.6 | Confident | 92.3 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.7 | -179.1 | -25.6 | 34.7 | 0 | 0 | 0 | 113.9 | T21 S61 | P19-T21 VanDerWaalsContact C-N 3.26Å; P19-T21 PolarHBondContact O-N 2.83Å; P19-S61 PolarHBondContact O-OG 2.89Å; P19-S61 VanDerWaalsContact O-OG 3.1Å |
| 20 | H | 90.9 | Very high | 92.8 | Very high | 134 Ų | 134 | 51.2 Ų | 51.2 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 12.4 | 179.3 | 57.5 | -89.5 | 0 | 0 | 0 | 113.6 | Q18 T22 | Q18-H20 VanDerWaalsContact C-N 3.25Å; Q18-H20 PolarHBondContact O-N 3.03Å; H20-T22 PolarHBondContact O-N 3.2Å |
| 21 | T | 94.7 | Very high | 93.4 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -59.9 | 133.7 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 109 | V17 Q18 P19 T59 L60 | V17-T21 HydrophobicContact CB-CG2 4.33Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.48Å; Q18-T21 PolarHBondContact N-OG1 3.44Å; Q18-T21 VanDerWaalsContact N-OG1 3.08Å; Q18-T21 WeakPolarHBondContact O-CB 3.27Å; Q18-T21 PolarHBondContact O-N 3.19Å; Q18-T21 PolarHBondContact O-OG1 2.97Å; P19-T21 VanDerWaalsContact C-N 3.26Å; P19-T21 PolarHBondContact O-N 2.83Å; T21-T59 WeakPolarHBondContact O-CA 3.42Å; T21-L60 HydrophobicContact CG2-CD1 4.17Å; T21-L60 WeakPolarHBondContact O-CG 3.49Å; T21-L60 PolarHBondContact O-N 2.92Å | ||
| 22 | T | 96.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -78.3 | 157.4 | 174.4 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | H20 G24 S25 L26 D56 K58 | H20-T22 PolarHBondContact O-N 3.2Å; T22-G24 VanDerWaalsContact C-N 3.25Å; T22-G24 PolarHBondContact O-N 3.32Å; T22-S25 WeakPolarHBondContact O-CB 3.38Å; T22-S25 PolarHBondContact O-N 3.31Å; T22-S25 VanDerWaalsContact O-N 3.11Å; T22-S25 WeakPolarHBondContact OG1-CB 3.38Å; T22-S25 PolarHBondContact OG1-N 3.35Å; T22-S25 PolarHBondContact OG1-OG 2.88Å; T22-L26 PolarHBondContact O-N 3.5Å; T22-D56 WeakPolarHBondContact CB-O 3.37Å; T22-K58 WeakPolarHBondContact CA-O 3.47Å |
| 23 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 173.4 | 178.6 | 66.5 | 0 | 0 | 0 | 111.9 | S25 L26 K27 L43 L53 D55 K58 L60 Y63 | L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.49Å; L23-L26 WeakPolarHBondContact O-CB 3.44Å; L23-L26 PolarHBondContact O-N 2.88Å; L23-K27 PolarHBondContact O-N 3.11Å; L23-L43 HydrophobicContact CD1-CB 4.43Å; L23-L43 HydrophobicContact CD1-CD1 3.7Å; L23-L53 HydrophobicContact CD1-CB 3.68Å; L23-L53 HydrophobicContact CD1-CD1 4.19Å; L23-L53 HydrophobicContact CD1-CG 4.5Å; L23-L53 HydrophobicContact CD2-CB 3.86Å; L23-L53 HydrophobicContact CG-CB 4.43Å; L23-D55 WeakPolarHBondContact CB-O 3.48Å; L23-D55 WeakPolarHBondContact CD2-O 3.45Å; L23-K58 PolarHBondContact N-O 3.38Å; L23-L60 HydrophobicContact CD1-CD2 4.22Å; L23-Y63 HydrophobicContact CB-CE2 4.34Å; L23-Y63 HydrophobicContact CD2-CE2 4.23Å |
| 24 | G | 94.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 56 Ų | 56 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T22 K27 S28 M38 D56 | T22-G24 VanDerWaalsContact C-N 3.25Å; T22-G24 PolarHBondContact O-N 3.32Å; G24-K27 PolarHBondContact O-N 3.22Å; G24-S28 PolarHBondContact O-N 2.81Å; G24-M38 WeakPolarHBondContact O-CE 3.48Å; G24-D56 PolarHBondContact N-O 3.18Å |
| 25 | S | 95.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | T22 L23 S28 L29 | T22-S25 WeakPolarHBondContact O-CB 3.38Å; T22-S25 PolarHBondContact O-N 3.31Å; T22-S25 VanDerWaalsContact O-N 3.11Å; T22-S25 WeakPolarHBondContact OG1-CB 3.38Å; T22-S25 PolarHBondContact OG1-N 3.35Å; T22-S25 PolarHBondContact OG1-OG 2.88Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.49Å; S25-S28 WeakPolarHBondContact O-CB 3.19Å; S25-S28 PolarHBondContact O-N 3.29Å; S25-L29 WeakPolarHBondContact O-CG 3.41Å; S25-L29 PolarHBondContact O-N 2.91Å |
| 26 | L | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.4 | 178 | 62.1 | 0 | 0 | 0 | 111.5 | L3 I5 L15 V17 T22 L23 S28 L29 I30 L43 L60 V71 | L3-L26 HydrophobicContact CD1-CD1 4.43Å; L3-L26 HydrophobicContact CD1-CD2 4.4Å; I5-L26 HydrophobicContact CD1-CD1 4.2Å; L15-L26 HydrophobicContact CD2-CD1 3.7Å; V17-L26 HydrophobicContact CG1-CD1 4.31Å; T22-L26 PolarHBondContact O-N 3.5Å; L23-L26 WeakPolarHBondContact O-CB 3.44Å; L23-L26 PolarHBondContact O-N 2.88Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.29Å; L26-L29 WeakPolarHBondContact O-CB 3.36Å; L26-L29 PolarHBondContact O-N 2.78Å; L26-L29 VanDerWaalsContact O-N 3.17Å; L26-I30 HydrophobicContact CD1-CD1 4.21Å; L26-I30 HydrophobicContact CD1-CG1 4.35Å; L26-I30 HydrophobicContact CG-CD1 3.94Å; L26-I30 HydrophobicContact CG-CG1 4.5Å; L26-I30 WeakPolarHBondContact O-CG1 3.23Å; L26-I30 PolarHBondContact O-N 3.33Å; L26-L43 HydrophobicContact CD2-CD1 4.3Å; L26-L43 HydrophobicContact CG-CD1 4.48Å; L26-L60 HydrophobicContact CB-CD1 4.2Å; L26-L60 HydrophobicContact CB-CD2 4.16Å; L26-L60 HydrophobicContact CD2-CD1 3.99Å; L26-L60 HydrophobicContact CD2-CD2 3.55Å; L26-L60 HydrophobicContact CD2-CG 4.43Å; L26-L60 HydrophobicContact CG-CD1 4.5Å; L26-L60 HydrophobicContact CG-CD2 4.48Å; L26-V71 HydrophobicContact CD2-CG1 4.42Å; L26-V71 HydrophobicContact CD2-CG2 4.41Å |
| 27 | K | 95 | Very high | 92.6 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 10% | 0.1 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 175.5 | -75.4 | -179.8 | 174.6 | 172 | 0 | 112.3 | L23 G24 I30 N31 M38 Q41 L43 D56 | L23-K27 PolarHBondContact O-N 3.11Å; G24-K27 PolarHBondContact O-N 3.22Å; K27-I30 PolarHBondContact O-N 3.03Å; K27-N31 WeakPolarHBondContact O-CB 3.38Å; K27-N31 PolarHBondContact O-N 3.32Å; K27-M38 HydrophobicContact CB-CE 3.8Å; K27-M38 HydrophobicContact CB-CG 4.22Å; K27-Q41 PolarHBondContact O-NE2 2.84Å; K27-Q41 PolarHBondContact O-OE1 3.19Å; K27-L43 HydrophobicContact CG-CD1 3.55Å; K27-L43 HydrophobicContact CG-CG 4.3Å; K27-D56 WeakPolarHBondContact CE-OD1 3.44Å; K27-D56 IonicContact NZ-OD1 2.84Å; K27-D56 PolarHBondContact NZ-OD1 3.06Å; K27-D56 IonicContact NZ-OD2 2.7Å; K27-D56 PolarHBondContact NZ-OD2 2.83Å |
| 28 | S | 94.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | G24 S25 L26 I30 N31 Q32 | G24-S28 PolarHBondContact O-N 2.81Å; S25-S28 WeakPolarHBondContact O-CB 3.19Å; S25-S28 PolarHBondContact O-N 3.29Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.29Å; S28-I30 PolarHBondContact O-N 3.27Å; S28-N31 WeakPolarHBondContact O-CB 3.47Å; S28-N31 PolarHBondContact O-N 3.42Å; S28-Q32 PolarHBondContact O-N 3.03Å |
| 29 | L | 95.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 50 Ų | 50 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.3 | -69.4 | 170.2 | 0 | 0 | 0 | 112.1 | L15 V17 S25 L26 N31 Q32 H33 | L15-L29 HydrophobicContact CD2-CB 4.02Å; L15-L29 HydrophobicContact CD2-CD1 4.32Å; V17-L29 HydrophobicContact CG1-CD1 3.75Å; S25-L29 WeakPolarHBondContact O-CG 3.41Å; S25-L29 PolarHBondContact O-N 2.91Å; L26-L29 WeakPolarHBondContact O-CB 3.36Å; L26-L29 PolarHBondContact O-N 2.78Å; L26-L29 VanDerWaalsContact O-N 3.17Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 3.45Å; L29-Q32 PolarHBondContact O-N 3.11Å; L29-H33 WeakPolarHBondContact O-CB 3.39Å; L29-H33 PolarHBondContact O-CD2 2.85Å; L29-H33 VanDerWaalsContact O-CD2 3.3Å; L29-H33 PolarHBondContact O-N 2.94Å |
| 30 | I | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.8 | -69.8 | 167.8 | 0 | 0 | 0 | 110.5 | I5 L26 K27 S28 H33 F34 Q41 L43 V73 | I5-I30 HydrophobicContact CG2-CD1 4.3Å; I5-I30 HydrophobicContact CG2-CG1 4.28Å; L26-I30 HydrophobicContact CD1-CD1 4.21Å; L26-I30 HydrophobicContact CD1-CG1 4.35Å; L26-I30 HydrophobicContact CG-CD1 3.94Å; L26-I30 HydrophobicContact CG-CG1 4.5Å; L26-I30 WeakPolarHBondContact O-CG1 3.23Å; L26-I30 PolarHBondContact O-N 3.33Å; K27-I30 PolarHBondContact O-N 3.03Å; S28-I30 PolarHBondContact O-N 3.27Å; I30-H33 PolarHBondContact O-N 3.43Å; I30-F34 HydrophobicContact CB-CD2 4.23Å; I30-F34 HydrophobicContact CG1-CD2 4.47Å; I30-F34 HydrophobicContact CG1-CE2 4.49Å; I30-F34 HydrophobicContact CG2-CD2 3.85Å; I30-F34 WeakPolarHBondContact O-CB 3.41Å; I30-F34 WeakPolarHBondContact O-CD2 3.25Å; I30-F34 PolarHBondContact O-N 2.86Å; I30-Q41 HydrophobicContact CG2-CG 4.28Å; I30-L43 HydrophobicContact CD1-CD1 3.88Å; I30-L43 HydrophobicContact CD1-CD2 3.89Å; I30-V73 HydrophobicContact CD1-CG2 4.04Å; I30-V73 HydrophobicContact CG2-CG1 4.38Å; I30-V73 HydrophobicContact CG2-CG2 4.46Å |
| 31 | N | 93.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 174.6 | -176.4 | 22.1 | 0 | 0 | 0 | 111.2 | K27 S28 L29 H33 G35 V36 M38 | K27-N31 WeakPolarHBondContact O-CB 3.38Å; K27-N31 PolarHBondContact O-N 3.32Å; S28-N31 WeakPolarHBondContact O-CB 3.47Å; S28-N31 PolarHBondContact O-N 3.42Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 3.45Å; N31-H33 PolarHBondContact O-N 2.87Å; N31-G35 VanDerWaalsContact O-CA 3.22Å; N31-G35 WeakPolarHBondContact O-CA 3.3Å; N31-G35 PolarHBondContact O-N 2.92Å; N31-V36 WeakPolarHBondContact CA-O 3.36Å; N31-V36 VanDerWaalsContact CB-O 3.24Å; N31-V36 WeakPolarHBondContact CB-O 3.31Å; N31-V36 PolarHBondContact OD1-O 3.26Å; N31-M38 HydrophobicContact CB-CG 4.22Å |
| 32 | Q | 93.7 | Very high | 92.5 | Very high | 153 Ų | 153 | 51.2 Ų | 51.2 | 72% | 0.715 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 179.4 | -175.1 | 178.4 | -5.1 | 0 | 0 | 113.1 | S28 L29 | S28-Q32 PolarHBondContact O-N 3.03Å; L29-Q32 PolarHBondContact O-N 3.11Å |
| 33 | H | 91.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -85.8 | -34.4 | -175.5 | -83.5 | -85.8 | 0 | 0 | 0 | 114 | L29 I30 N31 | L29-H33 WeakPolarHBondContact O-CB 3.39Å; L29-H33 PolarHBondContact O-CD2 2.85Å; L29-H33 VanDerWaalsContact O-CD2 3.3Å; L29-H33 PolarHBondContact O-N 2.94Å; I30-H33 PolarHBondContact O-N 3.43Å; N31-H33 PolarHBondContact O-N 2.87Å |
| 34 | F | 89.6 | Confident | 92.3 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 23% | 0.232 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -117.2 | -2.7 | -172 | -53.7 | -74.6 | 0 | 0 | 0 | 113.6 | I5 L7 H13 I30 V36 | I5-F34 HydrophobicContact CB-CE2 4.31Å; I5-F34 HydrophobicContact CB-CZ 4.37Å; I5-F34 HydrophobicContact CG2-CE2 3.94Å; I5-F34 HydrophobicContact CG2-CZ 4.32Å; L7-F34 HydrophobicContact CD1-CD1 3.99Å; L7-F34 HydrophobicContact CD1-CG 4.44Å; L7-F34 HydrophobicContact CD2-CG 4.49Å; H13-F34 HydrophobicContact CB-CE1 3.9Å; H13-F34 HydrophobicContact CB-CZ 3.74Å; H13-F34 AromaticContact CD2-CE1 3.47Å; H13-F34 VanDerWaalsContact CD2-CE1 3.47Å; H13-F34 WeakPolarHBondContact CD2-CE1 3.46Å; H13-F34 AromaticContact CG-CE1 3.72Å; I30-F34 HydrophobicContact CB-CD2 4.23Å; I30-F34 HydrophobicContact CG1-CD2 4.47Å; I30-F34 HydrophobicContact CG1-CE2 4.49Å; I30-F34 HydrophobicContact CG2-CD2 3.85Å; I30-F34 WeakPolarHBondContact O-CB 3.41Å; I30-F34 WeakPolarHBondContact O-CD2 3.25Å; I30-F34 PolarHBondContact O-N 2.86Å; F34-V36 HydrophobicContact CB-CG2 4.19Å; F34-V36 PolarHBondContact O-N 2.92Å |
| 35 | G | 89.7 | Confident | 92.2 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 66% | 0.66 | 27% | 0.267 | S | S | * | . | trans | 68.4 | 17.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N31 | N31-G35 VanDerWaalsContact O-CA 3.22Å; N31-G35 WeakPolarHBondContact O-CA 3.3Å; N31-G35 PolarHBondContact O-N 2.92Å | ||
| 36 | V | 88.4 | Confident | 91.8 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -92.6 | 112.5 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | N31 F34 R40 Q41 I75 | N31-V36 WeakPolarHBondContact CA-O 3.36Å; N31-V36 VanDerWaalsContact CB-O 3.24Å; N31-V36 WeakPolarHBondContact CB-O 3.31Å; N31-V36 PolarHBondContact OD1-O 3.26Å; F34-V36 HydrophobicContact CB-CG2 4.19Å; F34-V36 PolarHBondContact O-N 2.92Å; V36-R40 HydrophobicContact CG1-CB 4.18Å; V36-Q41 HydrophobicContact CB-CG 4.18Å; V36-Q41 HydrophobicContact CG1-CG 3.63Å; V36-Q41 PolarHBondContact O-NE2 3.31Å; V36-I75 HydrophobicContact CG1-CD1 4.44Å; V36-I75 HydrophobicContact CG1-CG1 4.05Å; V36-I75 HydrophobicContact CG1-CG2 4.28Å; V36-I75 HydrophobicContact CG2-CD1 3.84Å; V36-I75 HydrophobicContact CG2-CG1 4.21Å | ||
| 37 | A | 89 | Confident | 90.8 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | trans | -57.9 | 143.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E39 R40 Q41 | A37-E39 VanDerWaalsContact C-N 3.27Å; A37-E39 WeakPolarHBondContact CB-OE1 3.32Å; A37-E39 PolarHBondContact O-N 3.01Å; A37-R40 WeakPolarHBondContact O-CB 3.48Å; A37-R40 PolarHBondContact O-N 2.96Å; A37-Q41 WeakPolarHBondContact O-CG 3.42Å; A37-Q41 PolarHBondContact O-N 3.44Å | ||
| 38 | M | 89.7 | Confident | 89.9 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 21% | 0.207 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -58.7 | -35.8 | -168.5 | -65.5 | 176.3 | 68.5 | 0 | 0 | 113.4 | G24 K27 N31 R40 Q41 | G24-M38 WeakPolarHBondContact O-CE 3.48Å; K27-M38 HydrophobicContact CB-CE 3.8Å; K27-M38 HydrophobicContact CB-CG 4.22Å; N31-M38 HydrophobicContact CB-CG 4.22Å; M38-R40 PolarHBondContact O-N 3.48Å; M38-Q41 WeakPolarHBondContact O-CB 3.4Å; M38-Q41 PolarHBondContact O-N 3.26Å |
| 39 | E | 85.7 | Confident | 89.1 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -69.4 | -19.3 | 177.8 | 66 | -80 | -176.4 | 0 | 0 | 113.6 | A37 S99 | A37-E39 VanDerWaalsContact C-N 3.27Å; A37-E39 WeakPolarHBondContact CB-OE1 3.32Å; A37-E39 PolarHBondContact O-N 3.01Å; E39-S99 WeakPolarHBondContact CB-O 3.2Å |
| 40 | R | 89.4 | Confident | 88.8 | Confident | 84 Ų | 84 | 62 Ų | 62 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -91.9 | -5 | 174.8 | -60.1 | -174.1 | 72.2 | -171.1 | 8.1 | 112.3 | V36 A37 M38 I75 T76 E77 P78 | V36-R40 HydrophobicContact CG1-CB 4.18Å; A37-R40 WeakPolarHBondContact O-CB 3.48Å; A37-R40 PolarHBondContact O-N 2.96Å; M38-R40 PolarHBondContact O-N 3.48Å; R40-I75 HydrophobicContact CB-CG2 4.42Å; R40-I75 CarbonylContact O-C 3.57Å; R40-I75 WeakPolarHBondContact O-CA 3.46Å; R40-T76 WeakPolarHBondContact CA-O 3.49Å; R40-T76 VanDerWaalsContact CB-O 3.28Å; R40-T76 WeakPolarHBondContact CB-O 3.19Å; R40-T76 WeakPolarHBondContact CG-O 3.47Å; R40-T76 PolarHBondContact NE-O 2.96Å; R40-T76 PolarHBondContact O-N 3.12Å; R40-T76 PolarHBondContact O-OG1 2.81Å; R40-E77 IonicContact CZ-OE1 3.53Å; R40-E77 IonicContact NH2-OE1 2.71Å; R40-E77 PolarHBondContact NH2-OE1 3.34Å; R40-P78 HydrophobicContact CG-CG 4.08Å |
| 41 | Q | 92.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.028 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.3 | -178 | -60.9 | 174.9 | 32.9 | 0 | 0 | 111.1 | K27 I30 V36 A37 M38 L43 V73 | K27-Q41 PolarHBondContact O-NE2 2.84Å; K27-Q41 PolarHBondContact O-OE1 3.19Å; I30-Q41 HydrophobicContact CG2-CG 4.28Å; V36-Q41 HydrophobicContact CB-CG 4.18Å; V36-Q41 HydrophobicContact CG1-CG 3.63Å; V36-Q41 PolarHBondContact O-NE2 3.31Å; A37-Q41 WeakPolarHBondContact O-CG 3.42Å; A37-Q41 PolarHBondContact O-N 3.44Å; M38-Q41 WeakPolarHBondContact O-CB 3.4Å; M38-Q41 PolarHBondContact O-N 3.26Å; Q41-L43 HydrophobicContact CB-CD2 4.27Å; Q41-V73 HydrophobicContact CG-CG1 4.46Å |
| 42 | R | 91.4 | Very high | 88.6 | Confident | 151 Ų | 151 | 65.3 Ų | 65.3 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.7 | 161.2 | -67.9 | -150.4 | -178.1 | -162.8 | 2.6 | 110.1 | L74 T76 | R42-L74 HydrophobicContact CB-CB 4.2Å; R42-L74 HydrophobicContact CB-CD2 4.32Å; R42-L74 PolarHBondContact N-O 2.84Å; R42-L74 PolarHBondContact O-N 3.49Å; R42-T76 HydrophobicContact CB-CG2 4.22Å; R42-T76 HydrophobicContact CG-CG2 3.76Å |
| 43 | L | 94.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.3 | -172.1 | -56.3 | -172.1 | 0 | 0 | 0 | 110.4 | L23 L26 K27 I30 Q41 L53 V71 M72 V73 | L23-L43 HydrophobicContact CD1-CB 4.43Å; L23-L43 HydrophobicContact CD1-CD1 3.7Å; L26-L43 HydrophobicContact CD2-CD1 4.3Å; L26-L43 HydrophobicContact CG-CD1 4.48Å; K27-L43 HydrophobicContact CG-CD1 3.55Å; K27-L43 HydrophobicContact CG-CG 4.3Å; I30-L43 HydrophobicContact CD1-CD1 3.88Å; I30-L43 HydrophobicContact CD1-CD2 3.89Å; Q41-L43 HydrophobicContact CB-CD2 4.27Å; L43-L53 HydrophobicContact CB-CB 3.99Å; L43-L53 HydrophobicContact CB-CD1 4.05Å; L43-L53 WeakPolarHBondContact O-CB 3.42Å; L43-L53 PolarHBondContact O-N 2.97Å; L43-V71 HydrophobicContact CB-CG1 4.31Å; L43-V71 HydrophobicContact CD2-CG1 4.39Å; L43-M72 WeakPolarHBondContact CA-O 3.25Å; L43-V73 HydrophobicContact CD2-CB 3.99Å; L43-V73 HydrophobicContact CD2-CG1 3.77Å; L43-V73 HydrophobicContact CD2-CG2 3.69Å |
| 44 | S | 94.7 | Very high | 88.5 | Confident | 34 Ų | 34 | 57 Ų | 57 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.9 | 166.3 | 59.4 | 0 | 0 | 0 | 0 | 109.9 | I51 V71 M72 | S44-I51 CarbonylContact C-O 3.45Å; S44-I51 WeakPolarHBondContact CA-O 3.43Å; S44-I51 WeakPolarHBondContact CB-O 3.48Å; S44-V71 CarbonylContact O-C 3.54Å; S44-V71 VanDerWaalsContact O-CA 3.27Å; S44-V71 WeakPolarHBondContact O-CA 3.35Å; S44-M72 PolarHBondContact N-O 2.69Å; S44-M72 PolarHBondContact O-N 3.27Å; S44-M72 WeakPolarHBondContact OG-CE 3.36Å |
| 45 | G | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 155.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N50 I51 K70 | G45-N50 WeakPolarHBondContact O-CA 3.42Å; G45-I51 PolarHBondContact N-O 3.47Å; G45-I51 PolarHBondContact O-N 3.33Å; G45-K70 CarbonylContact C-O 3.55Å; G45-K70 WeakPolarHBondContact CA-O 3.32Å |
| 46 | V | 87.8 | Confident | 88.6 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 117.1 | 171.2 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | N49 K70 M72 | V46-N49 WeakPolarHBondContact CA-O 3.47Å; V46-K70 HydrophobicContact CB-CB 4.41Å; V46-K70 PolarHBondContact N-O 3.39Å; V46-M72 HydrophobicContact CG2-CE 4.06Å |
| 47 | N | 75.9 | Confident | 88.8 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -125 | 24.6 | 173 | 73.5 | -10.3 | 0 | 0 | 0 | 112.6 | N49 I51 G64 | N47-N49 PolarHBondContact N-O 3.04Å; N47-N49 PolarHBondContact OD1-O 3.25Å; N47-I51 HydrophobicContact CB-CD1 4.31Å; N47-I51 WeakPolarHBondContact ND2-CD1 3.32Å; N47-I51 WeakPolarHBondContact OD1-CD1 3.49Å; N47-G64 PolarHBondContact ND2-O 3.21Å |
| 48 | G | 74.4 | Confident | 89.1 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 69% | 0.691 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 113.8 | -28.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 49 | N | 79.8 | Confident | 89.4 | Confident | 125 Ų | 125 | 63 Ų | 63 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -128.8 | 159.9 | 167.6 | -69.5 | -43.5 | 0 | 0 | 0 | 110.4 | V46 N47 | V46-N49 WeakPolarHBondContact CA-O 3.47Å; N47-N49 PolarHBondContact N-O 3.04Å; N47-N49 PolarHBondContact OD1-O 3.25Å |
| 50 | N | 87.1 | Confident | 89.8 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.9 | 172 | -76.3 | -18.4 | 0 | 0 | 0 | 110.2 | G45 | G45-N50 WeakPolarHBondContact O-CA 3.42Å |
| 51 | I | 91.4 | Very high | 90 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.205 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.7 | -179.5 | -61.8 | 164.4 | 0 | 0 | 0 | 108.8 | S44 G45 N47 L53 Y63 | S44-I51 CarbonylContact C-O 3.45Å; S44-I51 WeakPolarHBondContact CA-O 3.43Å; S44-I51 WeakPolarHBondContact CB-O 3.48Å; G45-I51 PolarHBondContact N-O 3.47Å; G45-I51 PolarHBondContact O-N 3.33Å; N47-I51 HydrophobicContact CB-CD1 4.31Å; N47-I51 WeakPolarHBondContact ND2-CD1 3.32Å; N47-I51 WeakPolarHBondContact OD1-CD1 3.49Å; I51-L53 HydrophobicContact CG2-CD2 4.16Å; I51-Y63 WeakPolarHBondContact CD1-O 3.49Å; I51-Y63 HydrophobicContact CG2-CD1 4.02Å |
| 52 | S | 92 | Very high | 90.1 | Very high | 87 Ų | 87 | 62.7 Ų | 62.7 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.6 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | Y63 | S52-Y63 WeakPolarHBondContact O-CE1 3.49Å |
| 53 | L | 92.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 103.4 | 177.6 | -52.5 | 174.9 | 0 | 0 | 0 | 108.4 | L23 L43 I51 Y63 L65 V71 | L23-L53 HydrophobicContact CD1-CB 3.68Å; L23-L53 HydrophobicContact CD1-CD1 4.19Å; L23-L53 HydrophobicContact CD1-CG 4.5Å; L23-L53 HydrophobicContact CD2-CB 3.86Å; L23-L53 HydrophobicContact CG-CB 4.43Å; L43-L53 HydrophobicContact CB-CB 3.99Å; L43-L53 HydrophobicContact CB-CD1 4.05Å; L43-L53 WeakPolarHBondContact O-CB 3.42Å; L43-L53 PolarHBondContact O-N 2.97Å; I51-L53 HydrophobicContact CG2-CD2 4.16Å; L53-Y63 HydrophobicContact CD2-CD1 3.52Å; L53-Y63 HydrophobicContact CD2-CD2 3.76Å; L53-Y63 HydrophobicContact CD2-CE1 4.05Å; L53-Y63 HydrophobicContact CD2-CE2 4.25Å; L53-Y63 HydrophobicContact CD2-CG 3.35Å; L53-L65 HydrophobicContact CD1-CD1 3.96Å; L53-L65 HydrophobicContact CD2-CD1 4.18Å; L53-V71 HydrophobicContact CD1-CG1 4.14Å; L53-V71 HydrophobicContact CD1-CG2 4.45Å |
| 54 | S | 89.9 | Confident | 90.1 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | trans | -129 | -20.7 | -166.7 | 58.1 | 0 | 0 | 0 | 0 | 116.4 | Y63 | S54-Y63 PolarHBondContact N-OH 2.82Š| ||
| 55 | D | 91.1 | Very high | 90 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 40% | 0.401 | 35% | 0.346 | S | S | . | . | trans | -102.9 | 107.2 | -178.6 | -176.1 | -15.9 | 0 | 0 | 0 | 109.5 | L23 S57 K58 Y63 | L23-D55 WeakPolarHBondContact CB-O 3.48Å; L23-D55 WeakPolarHBondContact CD2-O 3.45Å; D55-S57 PolarHBondContact O-N 2.92Å; D55-S57 WeakPolarHBondContact OD1-CB 3.38Å; D55-S57 PolarHBondContact OD1-N 2.96Å; D55-S57 PolarHBondContact OD1-OG 2.84Å; D55-K58 HydrophobicContact CB-CB 4.06Å; D55-K58 PolarHBondContact O-N 2.71Å; D55-K58 VanDerWaalsContact O-N 3.16Å; D55-Y63 WeakPolarHBondContact CB-OH 3.24Å; D55-Y63 PolarHBondContact N-OH 2.96Å | ||
| 56 | D | 92.1 | Very high | 90 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.6 | -175.3 | -74.7 | 4.5 | 0 | 0 | 0 | 113.4 | T22 G24 K27 | T22-D56 WeakPolarHBondContact CB-O 3.37Å; G24-D56 PolarHBondContact N-O 3.18Å; K27-D56 WeakPolarHBondContact CE-OD1 3.44Å; K27-D56 IonicContact NZ-OD1 2.84Å; K27-D56 PolarHBondContact NZ-OD1 3.06Å; K27-D56 IonicContact NZ-OD2 2.7Å; K27-D56 PolarHBondContact NZ-OD2 2.83Å |
| 57 | S | 92.6 | Very high | 90.3 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 63% | 0.629 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -25.5 | 177.4 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | D55 | D55-S57 PolarHBondContact O-N 2.92Å; D55-S57 WeakPolarHBondContact OD1-CB 3.38Å; D55-S57 PolarHBondContact OD1-N 2.96Å; D55-S57 PolarHBondContact OD1-OG 2.84Å |
| 58 | K | 94.8 | Very high | 91 | Very high | 74 Ų | 74 | 62 Ų | 62 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -75.5 | 142.6 | -176 | -174.1 | 169.1 | -178.9 | -169.6 | 0 | 110.9 | T22 L23 D55 D62 Y63 | T22-K58 WeakPolarHBondContact CA-O 3.47Å; L23-K58 PolarHBondContact N-O 3.38Å; D55-K58 HydrophobicContact CB-CB 4.06Å; D55-K58 PolarHBondContact O-N 2.71Å; D55-K58 VanDerWaalsContact O-N 3.16Å; K58-D62 HydrophobicContact CD-CB 4.01Å; K58-D62 WeakPolarHBondContact CE-O 3.48Å; K58-D62 HydrophobicContact CG-CB 3.52Å; K58-D62 PolarHBondContact NZ-O 2.89Å; K58-Y63 HydrophobicContact CB-CD2 4.43Å; K58-Y63 HydrophobicContact CB-CE2 3.72Å; K58-Y63 HydrophobicContact CD-CD1 4.42Å; K58-Y63 HydrophobicContact CD-CD2 4.14Å; K58-Y63 HydrophobicContact CD-CE1 4.06Å; K58-Y63 HydrophobicContact CD-CE2 3.77Å; K58-Y63 HydrophobicContact CD-CG 4.45Å; K58-Y63 HydrophobicContact CG-CD2 4.01Å; K58-Y63 HydrophobicContact CG-CE2 3.7Å |
| 59 | T | 95.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.172 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 155.1 | 179 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | T21 S61 D62 Y63 | T21-T59 WeakPolarHBondContact O-CA 3.42Å; T59-S61 PolarHBondContact O-N 3.38Å; T59-D62 WeakPolarHBondContact CB-OD2 3.43Å; T59-D62 PolarHBondContact N-OD2 3.22Å; T59-D62 WeakPolarHBondContact O-CB 3.3Å; T59-D62 PolarHBondContact O-N 2.78Å; T59-D62 VanDerWaalsContact O-N 3.09Å; T59-D62 PolarHBondContact OG1-N 3.4Å; T59-D62 VanDerWaalsContact OG1-N 3.12Å; T59-D62 PolarHBondContact OG1-OD1 3.17Å; T59-D62 PolarHBondContact OG1-OD2 3.11Å; T59-Y63 WeakPolarHBondContact O-CD2 3.39Å; T59-Y63 PolarHBondContact O-N 3.45Å |
| 60 | L | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.7 | 176 | -60.3 | 177.3 | 0 | 0 | 0 | 111.5 | M1 L3 V17 T21 L23 L26 Y63 G64 L65 | M1-L60 HydrophobicContact CE-CB 3.36Å; M1-L60 HydrophobicContact CE-CD1 3.66Å; M1-L60 HydrophobicContact CE-CG 4.16Å; L3-L60 HydrophobicContact CD1-CD1 3.79Å; V17-L60 HydrophobicContact CG2-CD1 3.86Å; T21-L60 HydrophobicContact CG2-CD1 4.17Å; T21-L60 WeakPolarHBondContact O-CG 3.49Å; T21-L60 PolarHBondContact O-N 2.92Å; L23-L60 HydrophobicContact CD1-CD2 4.22Å; L26-L60 HydrophobicContact CB-CD1 4.2Å; L26-L60 HydrophobicContact CB-CD2 4.16Å; L26-L60 HydrophobicContact CD2-CD1 3.99Å; L26-L60 HydrophobicContact CD2-CD2 3.55Å; L26-L60 HydrophobicContact CD2-CG 4.43Å; L26-L60 HydrophobicContact CG-CD1 4.5Å; L26-L60 HydrophobicContact CG-CD2 4.48Å; L60-Y63 WeakPolarHBondContact O-CB 3.31Å; L60-Y63 PolarHBondContact O-N 3.33Å; L60-G64 PolarHBondContact O-N 3.27Å; L60-L65 HydrophobicContact CB-CB 4.29Å; L60-L65 HydrophobicContact CB-CD1 4.1Å; L60-L65 HydrophobicContact CD2-CD1 3.92Å; L60-L65 VanDerWaalsContact O-CB 3.28Å; L60-L65 WeakPolarHBondContact O-CB 3.42Å; L60-L65 PolarHBondContact O-N 2.94Å |
| 61 | S | 93.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -68.7 | -32.1 | 173.8 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | P19 T59 Y63 G64 | P19-S61 PolarHBondContact O-OG 2.89Å; P19-S61 VanDerWaalsContact O-OG 3.1Å; T59-S61 PolarHBondContact O-N 3.38Å; S61-Y63 PolarHBondContact O-N 3.3Å; S61-G64 WeakPolarHBondContact O-CA 3.36Å; S61-G64 PolarHBondContact O-N 2.83Å |
| 62 | D | 94.1 | Very high | 93.1 | Very high | 97 Ų | 97 | 54.1 Ų | 54.1 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -68 | -19.7 | 173.5 | -56.1 | -42.3 | 0 | 0 | 0 | 112.4 | K58 T59 G64 | K58-D62 HydrophobicContact CD-CB 4.01Å; K58-D62 WeakPolarHBondContact CE-O 3.48Å; K58-D62 HydrophobicContact CG-CB 3.52Å; K58-D62 PolarHBondContact NZ-O 2.89Å; T59-D62 WeakPolarHBondContact CB-OD2 3.43Å; T59-D62 PolarHBondContact N-OD2 3.22Å; T59-D62 WeakPolarHBondContact O-CB 3.3Å; T59-D62 PolarHBondContact O-N 2.78Å; T59-D62 VanDerWaalsContact O-N 3.09Å; T59-D62 PolarHBondContact OG1-N 3.4Å; T59-D62 VanDerWaalsContact OG1-N 3.12Å; T59-D62 PolarHBondContact OG1-OD1 3.17Å; T59-D62 PolarHBondContact OG1-OD2 3.11Å; D62-G64 VanDerWaalsContact C-N 3.29Å |
| 63 | Y | 92.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -83.9 | -2.4 | 167.9 | -76.4 | -72.1 | 0 | 0 | 0 | 113.1 | L23 I51 S52 L53 S54 D55 K58 T59 L60 S61 L65 | L23-Y63 HydrophobicContact CB-CE2 4.34Å; L23-Y63 HydrophobicContact CD2-CE2 4.23Å; I51-Y63 WeakPolarHBondContact CD1-O 3.49Å; I51-Y63 HydrophobicContact CG2-CD1 4.02Å; S52-Y63 WeakPolarHBondContact O-CE1 3.49Å; L53-Y63 HydrophobicContact CD2-CD1 3.52Å; L53-Y63 HydrophobicContact CD2-CD2 3.76Å; L53-Y63 HydrophobicContact CD2-CE1 4.05Å; L53-Y63 HydrophobicContact CD2-CE2 4.25Å; L53-Y63 HydrophobicContact CD2-CG 3.35Å; S54-Y63 PolarHBondContact N-OH 2.82Å; D55-Y63 WeakPolarHBondContact CB-OH 3.24Å; D55-Y63 PolarHBondContact N-OH 2.96Å; K58-Y63 HydrophobicContact CB-CD2 4.43Å; K58-Y63 HydrophobicContact CB-CE2 3.72Å; K58-Y63 HydrophobicContact CD-CD1 4.42Å; K58-Y63 HydrophobicContact CD-CD2 4.14Å; K58-Y63 HydrophobicContact CD-CE1 4.06Å; K58-Y63 HydrophobicContact CD-CE2 3.77Å; K58-Y63 HydrophobicContact CD-CG 4.45Å; K58-Y63 HydrophobicContact CG-CD2 4.01Å; K58-Y63 HydrophobicContact CG-CE2 3.7Å; T59-Y63 WeakPolarHBondContact O-CD2 3.39Å; T59-Y63 PolarHBondContact O-N 3.45Å; L60-Y63 WeakPolarHBondContact O-CB 3.31Å; L60-Y63 PolarHBondContact O-N 3.33Å; S61-Y63 PolarHBondContact O-N 3.3Å; Y63-L65 VanDerWaalsContact C-N 3.33Å |
| 64 | G | 92.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 21.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N47 L60 S61 D62 | N47-G64 PolarHBondContact ND2-O 3.21Å; L60-G64 PolarHBondContact O-N 3.27Å; S61-G64 WeakPolarHBondContact O-CA 3.36Å; S61-G64 PolarHBondContact O-N 2.83Å; D62-G64 VanDerWaalsContact C-N 3.29Å |
| 65 | L | 93 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | trans | -80.3 | 138.8 | 170.6 | -56.6 | 175.8 | 0 | 0 | 0 | 110 | M1 L53 L60 Y63 V71 | M1-L65 HydrophobicContact CE-CB 4.45Å; L53-L65 HydrophobicContact CD1-CD1 3.96Å; L53-L65 HydrophobicContact CD2-CD1 4.18Å; L60-L65 HydrophobicContact CB-CB 4.29Å; L60-L65 HydrophobicContact CB-CD1 4.1Å; L60-L65 HydrophobicContact CD2-CD1 3.92Å; L60-L65 VanDerWaalsContact O-CB 3.28Å; L60-L65 WeakPolarHBondContact O-CB 3.42Å; L60-L65 PolarHBondContact O-N 2.94Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; L65-V71 HydrophobicContact CD1-CG2 4.11Å | ||
| 66 | H | 92.3 | Very high | 92.9 | Very high | 106 Ų | 106 | 50.5 Ų | 50.5 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | trans | -138.7 | 179.9 | -179.9 | 53 | 73.9 | 0 | 0 | 0 | 109.9 | L3 G68 S69 | L3-H66 WeakPolarHBondContact CD2-O 3.46Å; H66-G68 PolarHBondContact O-N 2.99Å; H66-S69 PolarHBondContact N-OG 2.99Å; H66-S69 VanDerWaalsContact O-CB 3.25Å; H66-S69 WeakPolarHBondContact O-CB 3.04Å; H66-S69 PolarHBondContact O-N 3.23Å; H66-S69 PolarHBondContact O-OG 3.2Å | ||
| 67 | S | 93.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 135.5 | 176.4 | -145.3 | 0 | 0 | 0 | 0 | 110.3 | E2 S69 | E2-S67 PolarHBondContact N-OG 2.91Å; E2-S67 CarbonylContact O-C 3.57Å; E2-S67 WeakPolarHBondContact O-CA 3.41Å; S67-S69 VanDerWaalsContact C-N 3.3Å |
| 68 | G | 90.7 | Very high | 92 | Very high | 53 Ų | 53 | 51.3 Ų | 51.3 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -5.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E2 H66 | E2-G68 PolarHBondContact O-N 3.17Å; H66-G68 PolarHBondContact O-N 2.99Å |
| 69 | S | 93.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -62.5 | 144 | 172.9 | -64.8 | 0 | 0 | 0 | 0 | 111 | T4 H66 S67 | T4-S69 PolarHBondContact N-O 3.49Å; H66-S69 PolarHBondContact N-OG 2.99Å; H66-S69 VanDerWaalsContact O-CB 3.25Å; H66-S69 WeakPolarHBondContact O-CB 3.04Å; H66-S69 PolarHBondContact O-N 3.23Å; H66-S69 PolarHBondContact O-OG 3.2Å; S67-S69 VanDerWaalsContact C-N 3.3Å | ||
| 70 | K | 93.6 | Very high | 91.4 | Very high | 117 Ų | 117 | 55 Ų | 55 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.7 | 174.6 | -59.6 | -173 | 178.7 | -179 | 0 | 109.8 | T4 G45 V46 | T4-K70 CarbonylContact O-C 3.57Å; T4-K70 WeakPolarHBondContact O-CA 3.06Å; G45-K70 CarbonylContact C-O 3.55Å; G45-K70 WeakPolarHBondContact CA-O 3.32Å; V46-K70 HydrophobicContact CB-CB 4.41Å; V46-K70 PolarHBondContact N-O 3.39Å |
| 71 | V | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118.3 | 171.7 | 178 | 0 | 0 | 0 | 0 | 107.7 | L3 T4 I5 T6 L26 L43 S44 L53 L65 | L3-V71 HydrophobicContact CD1-CG2 4.4Å; T4-V71 PolarHBondContact O-N 2.85Å; I5-V71 CarbonylContact C-O 3.47Å; I5-V71 WeakPolarHBondContact CA-O 3.47Å; I5-V71 HydrophobicContact CD1-CB 3.87Å; I5-V71 HydrophobicContact CD1-CG1 4.41Å; I5-V71 HydrophobicContact CD1-CG2 4.34Å; T6-V71 PolarHBondContact N-O 2.77Å; L26-V71 HydrophobicContact CD2-CG1 4.42Å; L26-V71 HydrophobicContact CD2-CG2 4.41Å; L43-V71 HydrophobicContact CB-CG1 4.31Å; L43-V71 HydrophobicContact CD2-CG1 4.39Å; S44-V71 CarbonylContact O-C 3.54Å; S44-V71 VanDerWaalsContact O-CA 3.27Å; S44-V71 WeakPolarHBondContact O-CA 3.35Å; L53-V71 HydrophobicContact CD1-CG1 4.14Å; L53-V71 HydrophobicContact CD1-CG2 4.45Å; L65-V71 HydrophobicContact CD1-CG2 4.11Å |
| 72 | M | 94.5 | Very high | 91.5 | Very high | 71 Ų | 71 | 59 Ų | 59 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.7 | 173.7 | -63.9 | -177.4 | -68.5 | 0 | 0 | 109.4 | T6 L43 S44 V46 | T6-M72 CarbonylContact O-C 3.54Å; T6-M72 WeakPolarHBondContact O-CA 3.49Å; L43-M72 WeakPolarHBondContact CA-O 3.25Å; S44-M72 PolarHBondContact N-O 2.69Å; S44-M72 PolarHBondContact O-N 3.27Å; S44-M72 WeakPolarHBondContact OG-CE 3.36Å; V46-M72 HydrophobicContact CG2-CE 4.06Å |
| 73 | V | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110.7 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | I5 T6 L7 I30 Q41 L43 | I5-V73 HydrophobicContact CG2-CG2 3.49Å; I5-V73 VanDerWaalsContact CG2-CG2 3.49Å; T6-V73 PolarHBondContact O-N 3.49Å; L7-V73 HydrophobicContact CD2-CB 3.88Å; L7-V73 HydrophobicContact CD2-CG1 4.27Å; L7-V73 HydrophobicContact CD2-CG2 4.11Å; I30-V73 HydrophobicContact CD1-CG2 4.04Å; I30-V73 HydrophobicContact CG2-CG1 4.38Å; I30-V73 HydrophobicContact CG2-CG2 4.46Å; Q41-V73 HydrophobicContact CG-CG1 4.46Å; L43-V73 HydrophobicContact CD2-CB 3.99Å; L43-V73 HydrophobicContact CD2-CG1 3.77Å; L43-V73 HydrophobicContact CD2-CG2 3.69Å |
| 74 | L | 90.8 | Very high | 92 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.7 | 167.3 | 179.2 | 82.2 | 0 | 0 | 0 | 108 | L8 R42 T76 | L8-L74 HydrophobicContact CD1-CD1 3.67Å; L8-L74 HydrophobicContact CD1-CG 4.39Å; L8-L74 HydrophobicContact CD2-CB 4.41Å; L8-L74 HydrophobicContact CD2-CD1 3.58Å; L8-L74 HydrophobicContact CG-CD1 4.16Å; R42-L74 HydrophobicContact CB-CB 4.2Å; R42-L74 HydrophobicContact CB-CD2 4.32Å; R42-L74 PolarHBondContact N-O 2.84Å; R42-L74 PolarHBondContact O-N 3.49Å; L74-T76 HydrophobicContact CD2-CG2 3.7Å; L74-T76 HydrophobicContact CG-CG2 3.9Å; L74-T76 PolarHBondContact O-N 2.82Å |
| 75 | I | 89.8 | Confident | 92.3 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 35% | 0.349 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.6 | 170.9 | -54.7 | 177.5 | 0 | 0 | 0 | 107.8 | V36 R40 | V36-I75 HydrophobicContact CG1-CD1 4.44Å; V36-I75 HydrophobicContact CG1-CG1 4.05Å; V36-I75 HydrophobicContact CG1-CG2 4.28Å; V36-I75 HydrophobicContact CG2-CD1 3.84Å; V36-I75 HydrophobicContact CG2-CG1 4.21Å; R40-I75 HydrophobicContact CB-CG2 4.42Å; R40-I75 CarbonylContact O-C 3.57Å; R40-I75 WeakPolarHBondContact O-CA 3.46Å |
| 76 | T | 86.9 | Confident | 92.5 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | trans | -112.8 | 156.3 | 178.4 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | R40 R42 L74 | R40-T76 WeakPolarHBondContact CA-O 3.49Å; R40-T76 VanDerWaalsContact CB-O 3.28Å; R40-T76 WeakPolarHBondContact CB-O 3.19Å; R40-T76 WeakPolarHBondContact CG-O 3.47Å; R40-T76 PolarHBondContact NE-O 2.96Å; R40-T76 PolarHBondContact O-N 3.12Å; R40-T76 PolarHBondContact O-OG1 2.81Å; R42-T76 HydrophobicContact CB-CG2 4.22Å; R42-T76 HydrophobicContact CG-CG2 3.76Å; L74-T76 HydrophobicContact CD2-CG2 3.7Å; L74-T76 HydrophobicContact CG-CG2 3.9Å; L74-T76 PolarHBondContact O-N 2.82Å | ||
| 77 | E | 85.4 | Confident | 92.7 | Very high | 137 Ų | 137 | 54.2 Ų | 54.2 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 143.3 | 166.3 | -69.9 | -54.8 | 115.3 | 0 | 0 | 110.2 | R40 T79 | R40-E77 IonicContact CZ-OE1 3.53Å; R40-E77 IonicContact NH2-OE1 2.71Å; R40-E77 PolarHBondContact NH2-OE1 3.34Å; E77-T79 PolarHBondContact O-N 2.69Å |
| 78 | P | 80.6 | Confident | 92.6 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 134.3 | 177.1 | -21 | 31.4 | 0 | 0 | 0 | 110.5 | R40 H80 V98 | R40-P78 HydrophobicContact CG-CG 4.08Å; P78-H80 PolarHBondContact O-CD2 2.62Å; P78-H80 VanDerWaalsContact O-CD2 3.26Å; P78-H80 PolarHBondContact O-N 3.08Å; P78-V98 HydrophobicContact CB-CG1 3.29Å; P78-V98 HydrophobicContact CG-CG1 4.29Å |
| 79 | T | 85.9 | Confident | 92.8 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 128.3 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | E77 S99 | E77-T79 PolarHBondContact O-N 2.69Å; T79-S99 PolarHBondContact O-N 2.94Å; T79-S99 VanDerWaalsContact OG1-CB 3.25Å; T79-S99 WeakPolarHBondContact OG1-CB 3.38Å |
| 80 | H | 91.4 | Very high | 92.8 | Very high | 116 Ų | 116 | 64.1 Ų | 64.1 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131 | 172.6 | -67.4 | -111.3 | 0 | 0 | 0 | 109.5 | P78 E96 | P78-H80 PolarHBondContact O-CD2 2.62Å; P78-H80 VanDerWaalsContact O-CD2 3.26Å; P78-H80 PolarHBondContact O-N 3.08Å; H80-E96 HydrophobicContact CB-CG 4.36Å; H80-E96 IonicContact CE1-OE1 3.54Å; H80-E96 IonicContact CG-OE1 3.87Å; H80-E96 IonicContact ND1-OE1 3.43Å; H80-E96 PolarHBondContact ND1-OE1 2.99Å |
| 81 | I | 94.3 | Very high | 93 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 153.8 | 173.6 | 64.2 | 170.4 | 0 | 0 | 0 | 109.3 | V83 V97 N143 | I81-V83 HydrophobicContact CD1-CG1 4.2Å; I81-V83 HydrophobicContact CG1-CG1 4.46Å; I81-V97 HydrophobicContact CD1-CG1 4.4Å; I81-V97 HydrophobicContact CG1-CB 3.96Å; I81-V97 HydrophobicContact CG1-CG1 4.22Å; I81-V97 WeakPolarHBondContact CG1-O 3.34Å; I81-V97 PolarHBondContact N-O 2.94Å; I81-V97 PolarHBondContact O-N 3.35Å; I81-N143 HydrophobicContact CB-CB 4.02Å; I81-N143 HydrophobicContact CG2-CB 4.05Å |
| 82 | Q | 97.2 | Very high | 93.1 | Very high | 101 Ų | 101 | 66.8 Ų | 66.8 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.7 | 171.2 | -67.3 | -178.6 | 1.4 | 0 | 0 | 109.2 | T94 Y95 N143 L144 | Q82-T94 HydrophobicContact CB-CG2 4.07Å; Q82-T94 HydrophobicContact CG-CG2 4.3Å; Q82-Y95 CarbonylContact C-O 3.59Å; Q82-Y95 WeakPolarHBondContact CA-O 3.5Å; Q82-N143 PolarHBondContact N-OD1 2.83Å; Q82-N143 CarbonylContact O-C 3.53Å; Q82-N143 PolarHBondContact O-OD1 3.21Å; Q82-L144 HydrophobicContact CB-CD2 4.43Å; Q82-L144 WeakPolarHBondContact O-CA 3.45Å; Q82-L144 PolarHBondContact O-N 3.41Å |
| 83 | V | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.1 | 171.4 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | I81 T94 Y95 V97 F106 V141 I147 | I81-V83 HydrophobicContact CD1-CG1 4.2Å; I81-V83 HydrophobicContact CG1-CG1 4.46Å; V83-T94 WeakPolarHBondContact O-CA 3.36Å; V83-Y95 PolarHBondContact N-O 2.92Å; V83-Y95 PolarHBondContact O-N 3.1Å; V83-V97 HydrophobicContact CG1-CB 4.49Å; V83-V97 HydrophobicContact CG1-CG2 4.24Å; V83-V97 HydrophobicContact CG2-CG2 3.58Å; V83-F106 HydrophobicContact CG2-CE2 3.64Å; V83-F106 HydrophobicContact CG2-CZ 3.8Å; V83-V141 HydrophobicContact CG1-CG1 3.74Å; V83-I147 HydrophobicContact CG2-CD1 4.48Å |
| 84 | F | 98.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.4 | 175.9 | -58.3 | -57.2 | 0 | 0 | 0 | 109.8 | T92 T94 L144 S145 T146 I147 | F84-T92 HydrophobicContact CB-CG2 3.77Å; F84-T92 HydrophobicContact CD1-CG2 4.18Å; F84-T92 HydrophobicContact CG-CG2 4.19Å; F84-T94 HydrophobicContact CD1-CG2 4.44Å; F84-T94 HydrophobicContact CE1-CG2 4.28Å; F84-L144 WeakPolarHBondContact CD2-O 3.4Å; F84-L144 HydrophobicContact CE2-CB 3.95Å; F84-L144 HydrophobicContact CE2-CD2 4Å; F84-L144 HydrophobicContact CZ-CD2 3.82Å; F84-S145 PolarHBondContact N-O 3.17Å; F84-T146 HydrophobicContact CB-CG2 4.44Å; F84-T146 CarbonylContact O-C 3.55Å; F84-T146 WeakPolarHBondContact O-CA 3.48Å; F84-I147 PolarHBondContact O-N 3.11Å |
| 85 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.2 | 168.7 | -169.9 | 79.7 | 0 | 0 | 0 | 108.8 | T92 H93 Y95 F106 V110 E114 L123 I147 L149 | L85-T92 CarbonylContact O-C 3.58Å; L85-T92 VanDerWaalsContact O-CA 3.3Å; L85-T92 WeakPolarHBondContact O-CA 3.38Å; L85-H93 PolarHBondContact N-O 3.36Å; L85-H93 PolarHBondContact O-N 3.24Å; L85-Y95 HydrophobicContact CB-CD2 3.71Å; L85-Y95 HydrophobicContact CB-CE2 3.46Å; L85-Y95 VanDerWaalsContact CB-CE2 3.46Å; L85-Y95 HydrophobicContact CD2-CE2 3.73Å; L85-Y95 HydrophobicContact CG-CE2 4.24Å; L85-F106 HydrophobicContact CD1-CE1 4.06Å; L85-F106 HydrophobicContact CD1-CZ 4.32Å; L85-V110 HydrophobicContact CD1-CG2 4.37Å; L85-V110 HydrophobicContact CD2-CB 4.35Å; L85-V110 HydrophobicContact CD2-CG1 3.65Å; L85-V110 HydrophobicContact CD2-CG2 3.77Å; L85-E114 HydrophobicContact CD2-CG 4.16Å; L85-L123 HydrophobicContact CD1-CD2 3.86Å; L85-I147 CarbonylContact C-O 3.58Å; L85-I147 VanDerWaalsContact CA-O 3.3Å; L85-I147 WeakPolarHBondContact CA-O 3.33Å; L85-I147 HydrophobicContact CD1-CB 4.07Å; L85-I147 HydrophobicContact CD1-CG2 3.93Å; L85-L149 HydrophobicContact CD1-CB 4.07Å; L85-L149 HydrophobicContact CD2-CB 4.17Å; L85-L149 HydrophobicContact CD2-CD2 4.15Å; L85-L149 HydrophobicContact CG-CB 4.13Å |
| 86 | K | 98.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.7 | 172.2 | -171.8 | 173.9 | -177.5 | 178.1 | 0 | 110 | Q91 T146 I147 H148 L149 | K86-Q91 CarbonylContact C-O 3.55Å; K86-Q91 VanDerWaalsContact CA-O 3.32Å; K86-Q91 WeakPolarHBondContact CA-O 3.09Å; K86-T146 HydrophobicContact CB-CG2 4.22Å; K86-I147 PolarHBondContact N-O 2.85Å; K86-H148 WeakPolarHBondContact O-CA 3.16Å; K86-L149 PolarHBondContact O-N 2.82Å |
| 87 | N | 95.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | trans | -87.2 | 175.5 | 179.3 | 73.8 | 15 | 0 | 0 | 0 | 112.5 | K89 G90 Q91 | N87-K89 PolarHBondContact O-N 2.85Å; N87-K89 WeakPolarHBondContact OD1-CA 3.46Å; N87-K89 WeakPolarHBondContact OD1-CB 3.49Å; N87-K89 PolarHBondContact OD1-N 2.84Å; N87-G90 WeakPolarHBondContact O-CA 3.41Å; N87-G90 PolarHBondContact O-N 3.43Å; N87-G90 PolarHBondContact OD1-N 3.47Å; N87-Q91 PolarHBondContact N-O 2.91Å; N87-Q91 PolarHBondContact ND2-OE1 3.03Å; N87-Q91 WeakPolarHBondContact OD1-CB 3.4Å; N87-Q91 PolarHBondContact OD1-N 2.8Å; N87-Q91 PolarHBondContact OD1-O 3.06Å | ||
| 88 | E | 92.7 | Very high | 94.8 | Very high | 116 Ų | 116 | 62.1 Ų | 62.1 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.2 | -179.4 | -60.8 | -171.7 | 149.8 | 0 | 0 | 113.8 | G90 L149 T150 L151 | E88-G90 PolarHBondContact O-N 2.83Å; E88-L149 WeakPolarHBondContact CG-O 3.5Å; E88-T150 VanDerWaalsContact OE1-CA 3.28Å; E88-T150 WeakPolarHBondContact OE1-CA 3.38Å; E88-L151 PolarHBondContact OE1-N 3.27Å |
| 89 | K | 93.4 | Very high | 95.1 | Very high | 180 Ų | 180 | 62.1 Ų | 62.1 | 78% | 0.783 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.2 | 174.4 | -58.1 | 177.4 | -177.3 | 173.8 | 0 | 112.5 | N87 Q91 | N87-K89 PolarHBondContact O-N 2.85Å; N87-K89 WeakPolarHBondContact OD1-CA 3.46Å; N87-K89 WeakPolarHBondContact OD1-CB 3.49Å; N87-K89 PolarHBondContact OD1-N 2.84Å; K89-Q91 VanDerWaalsContact C-N 3.26Å; K89-Q91 HydrophobicContact CB-CG 4.19Å; K89-Q91 PolarHBondContact O-N 3.37Å |
| 90 | G | 95 | Very high | 95.2 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 77.2 | 7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N87 E88 | N87-G90 WeakPolarHBondContact O-CA 3.41Å; N87-G90 PolarHBondContact O-N 3.43Å; N87-G90 PolarHBondContact OD1-N 3.47Å; E88-G90 PolarHBondContact O-N 2.83Å |
| 91 | Q | 96.1 | Very high | 95.3 | Very high | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | trans | -77.2 | 139.6 | 176.9 | -56.4 | 172.1 | -57.5 | 0 | 0 | 109.8 | K86 N87 K89 | K86-Q91 CarbonylContact C-O 3.55Å; K86-Q91 VanDerWaalsContact CA-O 3.32Å; K86-Q91 WeakPolarHBondContact CA-O 3.09Å; N87-Q91 PolarHBondContact N-O 2.91Å; N87-Q91 PolarHBondContact ND2-OE1 3.03Å; N87-Q91 WeakPolarHBondContact OD1-CB 3.4Å; N87-Q91 PolarHBondContact OD1-N 2.8Å; N87-Q91 PolarHBondContact OD1-O 3.06Å; K89-Q91 VanDerWaalsContact C-N 3.26Å; K89-Q91 HydrophobicContact CB-CG 4.19Å; K89-Q91 PolarHBondContact O-N 3.37Å | ||
| 92 | T | 97.8 | Very high | 95.4 | Very high | 78 Ų | 78 | 55 Ų | 55 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.7 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | F84 L85 | F84-T92 HydrophobicContact CB-CG2 3.77Å; F84-T92 HydrophobicContact CD1-CG2 4.18Å; F84-T92 HydrophobicContact CG-CG2 4.19Å; L85-T92 CarbonylContact O-C 3.58Å; L85-T92 VanDerWaalsContact O-CA 3.3Å; L85-T92 WeakPolarHBondContact O-CA 3.38Å |
| 93 | H | 97.5 | Very high | 95.4 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 27% | 0.269 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.8 | 174.5 | -58.4 | 118.3 | 0 | 0 | 0 | 110.6 | L85 Y95 E114 | L85-H93 PolarHBondContact N-O 3.36Å; L85-H93 PolarHBondContact O-N 3.24Å; H93-Y95 HydrophobicContact CB-CE2 3.84Å; H93-Y95 WeakPolarHBondContact O-CD2 3.49Å; H93-E114 IonicContact CE1-OE1 3.42Å; H93-E114 IonicContact CE1-OE2 2.84Å; H93-E114 IonicContact CG-OE1 2.71Å; H93-E114 IonicContact ND1-OE1 3.66Å; H93-E114 PolarHBondContact ND1-OE1 3.18Å; H93-E114 IonicContact ND1-OE2 3.57Å; H93-E114 PolarHBondContact ND1-OE2 2.94Å |
| 94 | T | 97.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.3 | 175.2 | -48.7 | 0 | 0 | 0 | 0 | 110.7 | Q82 V83 F84 K113 | Q82-T94 HydrophobicContact CB-CG2 4.07Å; Q82-T94 HydrophobicContact CG-CG2 4.3Å; V83-T94 WeakPolarHBondContact O-CA 3.36Å; F84-T94 HydrophobicContact CD1-CG2 4.44Å; F84-T94 HydrophobicContact CE1-CG2 4.28Å; T94-K113 PolarHBondContact O-NZ 3.06Å |
| 95 | Y | 98 | Very high | 95.3 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139 | 174.2 | -72.1 | -99.2 | 0 | 0 | 0 | 109.9 | Q82 V83 L85 H93 F106 K109 V110 K113 E114 | Q82-Y95 CarbonylContact C-O 3.59Å; Q82-Y95 WeakPolarHBondContact CA-O 3.5Å; V83-Y95 PolarHBondContact N-O 2.92Å; V83-Y95 PolarHBondContact O-N 3.1Å; L85-Y95 HydrophobicContact CB-CD2 3.71Å; L85-Y95 HydrophobicContact CB-CE2 3.46Å; L85-Y95 VanDerWaalsContact CB-CE2 3.46Å; L85-Y95 HydrophobicContact CD2-CE2 3.73Å; L85-Y95 HydrophobicContact CG-CE2 4.24Å; H93-Y95 HydrophobicContact CB-CE2 3.84Å; H93-Y95 WeakPolarHBondContact O-CD2 3.49Å; Y95-F106 HydrophobicContact CD1-CE2 4.19Å; Y95-F106 HydrophobicContact CD2-CZ 4.43Å; Y95-F106 AromaticContact CG-CE2 3.91Å; Y95-F106 HydrophobicContact CG-CE2 3.91Å; Y95-F106 HydrophobicContact CG-CZ 4.18Å; Y95-K109 HydrophobicContact CD1-CB 4.18Å; Y95-K109 HydrophobicContact CE1-CB 4.36Å; Y95-V110 HydrophobicContact CE1-CG2 3.98Å; Y95-K113 HydrophobicContact CE1-CB 4.03Å; Y95-K113 HydrophobicContact CE1-CD 3.79Å; Y95-K113 HydrophobicContact CE1-CG 4.44Å; Y95-K113 HydrophobicContact CE2-CD 4.38Å; Y95-K113 WeakPolarHBondContact OH-CB 3.49Å; Y95-E114 WeakPolarHBondContact OH-CG 3.48Å; Y95-E114 PolarHBondContact OH-OE1 3.47Å |
| 96 | E | 96.7 | Very high | 95.3 | Very high | 114 Ų | 114 | 55.9 Ų | 55.9 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.9 | 170.1 | -169.1 | 174.5 | 174.6 | 0 | 0 | 109.5 | H80 K109 | H80-E96 HydrophobicContact CB-CG 4.36Å; H80-E96 IonicContact CE1-OE1 3.54Å; H80-E96 IonicContact CG-OE1 3.87Å; H80-E96 IonicContact ND1-OE1 3.43Å; H80-E96 PolarHBondContact ND1-OE1 2.99Å; E96-K109 PolarHBondContact O-NZ 2.88Å |
| 97 | V | 95.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.7 | -175.2 | 171.8 | 0 | 0 | 0 | 0 | 108.7 | I81 V83 E101 F106 L136 | I81-V97 HydrophobicContact CD1-CG1 4.4Å; I81-V97 HydrophobicContact CG1-CB 3.96Å; I81-V97 HydrophobicContact CG1-CG1 4.22Å; I81-V97 WeakPolarHBondContact CG1-O 3.34Å; I81-V97 PolarHBondContact N-O 2.94Å; I81-V97 PolarHBondContact O-N 3.35Å; V83-V97 HydrophobicContact CG1-CB 4.49Å; V83-V97 HydrophobicContact CG1-CG2 4.24Å; V83-V97 HydrophobicContact CG2-CG2 3.58Å; V97-E101 WeakPolarHBondContact CA-OE2 3.44Å; V97-E101 HydrophobicContact CG1-CB 3.99Å; V97-F106 HydrophobicContact CG2-CD2 3.6Å; V97-F106 HydrophobicContact CG2-CE2 3.64Å; V97-L136 HydrophobicContact CB-CD1 4.45Å; V97-L136 HydrophobicContact CG1-CD1 3.5Å; V97-L136 VanDerWaalsContact CG1-CD1 3.5Å; V97-L136 HydrophobicContact CG2-CD1 4.06Å |
| 98 | V | 92.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.2 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | P78 G100 E101 | P78-V98 HydrophobicContact CB-CG1 3.29Å; P78-V98 HydrophobicContact CG-CG1 4.29Å; V98-G100 PolarHBondContact O-N 2.84Å; V98-E101 PolarHBondContact N-OE2 3.12Å; V98-E101 WeakPolarHBondContact O-CB 3.39Å; V98-E101 PolarHBondContact O-N 3.36Å |
| 99 | S | 86.8 | Confident | 95.6 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 138.9 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | E39 T79 E101 E137 | E39-S99 WeakPolarHBondContact CB-O 3.2Å; T79-S99 PolarHBondContact O-N 2.94Å; T79-S99 VanDerWaalsContact OG1-CB 3.25Å; T79-S99 WeakPolarHBondContact OG1-CB 3.38Å; S99-E101 VanDerWaalsContact C-N 3.29Å; S99-E101 PolarHBondContact O-N 2.71Å; S99-E137 PolarHBondContact OG-OE2 3.42Å |
| 100 | G | 87.3 | Confident | 95.8 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -3.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V98 T102 | V98-G100 PolarHBondContact O-N 2.84Å; G100-T102 PolarHBondContact O-N 3.35Å |
| 101 | E | 93.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | trans | -63.4 | 133.3 | 179.5 | -172.2 | 170.3 | 169.5 | 0 | 0 | 112.2 | V97 V98 S99 Q105 K109 K135 L136 | V97-E101 WeakPolarHBondContact CA-OE2 3.44Å; V97-E101 HydrophobicContact CG1-CB 3.99Å; V98-E101 PolarHBondContact N-OE2 3.12Å; V98-E101 WeakPolarHBondContact O-CB 3.39Å; V98-E101 PolarHBondContact O-N 3.36Å; S99-E101 VanDerWaalsContact C-N 3.29Å; S99-E101 PolarHBondContact O-N 2.71Å; E101-Q105 HydrophobicContact CG-CB 3.65Å; E101-K109 WeakPolarHBondContact OE1-CD 3.45Å; E101-K109 WeakPolarHBondContact OE1-CE 3.12Å; E101-K109 IonicContact OE1-NZ 2.7Å; E101-K109 PolarHBondContact OE1-NZ 3.35Å; E101-K109 IonicContact OE2-NZ 3.49Å; E101-K109 PolarHBondContact OE2-NZ 3.43Å; E101-K135 WeakPolarHBondContact O-CA 3.44Å; E101-L136 PolarHBondContact O-N 3.46Å | ||
| 102 | T | 96.1 | Very high | 95.9 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 157.6 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | G100 T104 Q105 F106 K134 | G100-T102 PolarHBondContact O-N 3.35Å; T102-T104 VanDerWaalsContact C-N 3.27Å; T102-T104 PolarHBondContact O-N 2.67Å; T102-Q105 PolarHBondContact O-N 3.16Å; T102-Q105 VanDerWaalsContact OG1-CD 3.27Å; T102-Q105 VanDerWaalsContact OG1-CG 3.25Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.22Å; T102-Q105 PolarHBondContact OG1-N 2.63Å; T102-Q105 PolarHBondContact OG1-OE1 2.9Å; T102-F106 PolarHBondContact O-N 3.2Å; T102-K134 WeakPolarHBondContact CA-O 3.28Å |
| 103 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Q105 F106 K107 L123 L130 D131 K134 L136 Y139 | V103-Q105 PolarHBondContact O-N 2.95Å; V103-F106 PolarHBondContact O-N 3.03Å; V103-K107 HydrophobicContact CG1-CD 4.45Å; V103-K107 HydrophobicContact CG1-CG 4.43Å; V103-K107 WeakPolarHBondContact O-CG 3.36Å; V103-K107 PolarHBondContact O-N 3.31Å; V103-L123 HydrophobicContact CG1-CD1 4.3Å; V103-L130 HydrophobicContact CB-CB 4.41Å; V103-L130 HydrophobicContact CG1-CB 3.76Å; V103-L130 HydrophobicContact CG2-CB 3.71Å; V103-L130 HydrophobicContact CG2-CD1 4.35Å; V103-D131 VanDerWaalsContact CB-O 3.23Å; V103-D131 WeakPolarHBondContact CB-O 3.5Å; V103-D131 VanDerWaalsContact CG2-O 3.25Å; V103-D131 WeakPolarHBondContact CG2-O 3.27Å; V103-K134 WeakPolarHBondContact CG2-O 3.45Å; V103-K134 PolarHBondContact N-O 3.38Å; V103-L136 HydrophobicContact CG2-CD2 4.06Å; V103-Y139 HydrophobicContact CG2-CE2 4.41Å |
| 104 | T | 97.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 173.6 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | T102 F106 K107 A108 D132 | T102-T104 VanDerWaalsContact C-N 3.27Å; T102-T104 PolarHBondContact O-N 2.67Å; T104-F106 VanDerWaalsContact C-N 3.34Å; T104-F106 PolarHBondContact O-N 2.93Å; T104-K107 PolarHBondContact O-N 3.34Å; T104-A108 PolarHBondContact O-N 3.44Å; T104-A108 VanDerWaalsContact O-N 3.11Å; T104-D132 PolarHBondContact N-O 2.79Å; T104-D132 WeakPolarHBondContact OG1-CB 3.44Å; T104-D132 PolarHBondContact OG1-O 3.36Å |
| 105 | Q | 97.2 | Very high | 95.4 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 178 | -74.3 | 164.7 | -42.8 | 0 | 0 | 111.2 | E101 T102 V103 K107 A108 K109 | E101-Q105 HydrophobicContact CG-CB 3.65Å; T102-Q105 PolarHBondContact O-N 3.16Å; T102-Q105 VanDerWaalsContact OG1-CD 3.27Å; T102-Q105 VanDerWaalsContact OG1-CG 3.25Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.22Å; T102-Q105 PolarHBondContact OG1-N 2.63Å; T102-Q105 PolarHBondContact OG1-OE1 2.9Å; V103-Q105 PolarHBondContact O-N 2.95Å; Q105-K107 PolarHBondContact O-N 3.3Å; Q105-A108 WeakPolarHBondContact O-CB 3.2Å; Q105-A108 PolarHBondContact O-N 2.89Å; Q105-K109 PolarHBondContact O-N 3.19Å |
| 106 | F | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.2 | -174.9 | -110.4 | 0 | 0 | 0 | 112.3 | V83 L85 Y95 V97 T102 V103 T104 A108 K109 V110 L123 L136 I147 | V83-F106 HydrophobicContact CG2-CE2 3.64Å; V83-F106 HydrophobicContact CG2-CZ 3.8Å; L85-F106 HydrophobicContact CD1-CE1 4.06Å; L85-F106 HydrophobicContact CD1-CZ 4.32Å; Y95-F106 HydrophobicContact CD1-CE2 4.19Å; Y95-F106 HydrophobicContact CD2-CZ 4.43Å; Y95-F106 AromaticContact CG-CE2 3.91Å; Y95-F106 HydrophobicContact CG-CE2 3.91Å; Y95-F106 HydrophobicContact CG-CZ 4.18Å; V97-F106 HydrophobicContact CG2-CD2 3.6Å; V97-F106 HydrophobicContact CG2-CE2 3.64Å; T102-F106 PolarHBondContact O-N 3.2Å; V103-F106 PolarHBondContact O-N 3.03Å; T104-F106 VanDerWaalsContact C-N 3.34Å; T104-F106 PolarHBondContact O-N 2.93Å; F106-A108 VanDerWaalsContact C-N 3.27Å; F106-A108 PolarHBondContact O-N 2.86Å; F106-K109 WeakPolarHBondContact O-CB 3.48Å; F106-K109 PolarHBondContact O-N 3.27Å; F106-V110 HydrophobicContact CD1-CG2 4.15Å; F106-V110 HydrophobicContact CE1-CG2 3.81Å; F106-V110 HydrophobicContact CZ-CG2 4.04Å; F106-V110 WeakPolarHBondContact O-CG2 3.41Å; F106-V110 PolarHBondContact O-N 3.29Å; F106-L123 HydrophobicContact CD1-CD1 3.57Å; F106-L123 HydrophobicContact CE1-CD1 3.99Å; F106-L136 HydrophobicContact CB-CD1 3.89Å; F106-L136 HydrophobicContact CB-CD2 4.38Å; F106-L136 HydrophobicContact CB-CG 4.44Å; F106-L136 HydrophobicContact CD1-CD2 4.28Å; F106-L136 HydrophobicContact CD2-CD1 4.07Å; F106-L136 HydrophobicContact CG-CD1 3.91Å; F106-L136 HydrophobicContact CG-CD2 4.38Å; F106-I147 HydrophobicContact CD1-CD1 4.26Å; F106-I147 HydrophobicContact CE1-CD1 3.65Å; F106-I147 HydrophobicContact CE1-CG2 4.48Å; F106-I147 HydrophobicContact CZ-CD1 3.96Å |
| 107 | K | 98 | Very high | 95.1 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -36.9 | 174 | -76.9 | -178.6 | 165.5 | -174 | 0 | 113 | V103 T104 Q105 K109 V110 Q111 A118 Q121 L123 D132 | V103-K107 HydrophobicContact CG1-CD 4.45Å; V103-K107 HydrophobicContact CG1-CG 4.43Å; V103-K107 WeakPolarHBondContact O-CG 3.36Å; V103-K107 PolarHBondContact O-N 3.31Å; T104-K107 PolarHBondContact O-N 3.34Å; Q105-K107 PolarHBondContact O-N 3.3Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-V110 PolarHBondContact O-N 2.89Å; K107-Q111 WeakPolarHBondContact O-CB 3.35Å; K107-Q111 PolarHBondContact O-N 2.72Å; K107-A118 HydrophobicContact CB-CB 4.04Å; K107-A118 PolarHBondContact NZ-O 3.27Å; K107-Q121 VanDerWaalsContact CB-OE1 3.31Å; K107-Q121 HydrophobicContact CD-CB 4.35Å; K107-Q121 VanDerWaalsContact CE-O 3.27Å; K107-Q121 WeakPolarHBondContact CE-O 3.47Å; K107-Q121 HydrophobicContact CG-CB 4.3Å; K107-Q121 VanDerWaalsContact CG-OE1 3.31Å; K107-Q121 PolarHBondContact NZ-O 3.22Å; K107-Q121 VanDerWaalsContact NZ-O 3.13Å; K107-Q121 PolarHBondContact O-NE2 3.3Å; K107-Q121 PolarHBondContact O-OE1 3.45Å; K107-L123 HydrophobicContact CG-CD1 3.6Å; K107-L123 HydrophobicContact CG-CG 4.25Å; K107-D132 WeakPolarHBondContact CD-OD1 3.37Å; K107-D132 WeakPolarHBondContact CE-OD1 3.25Å; K107-D132 IonicContact NZ-OD1 2.69Å; K107-D132 PolarHBondContact NZ-OD1 3.04Å; K107-D132 IonicContact NZ-OD2 3.5Å; K107-D132 PolarHBondContact NZ-OD2 2.82Å |
| 108 | A | 97.9 | Very high | 95.1 | Very high | 44 Ų | 44 | 46 Ų | 46 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T104 Q105 F106 Q111 N112 | T104-A108 PolarHBondContact O-N 3.44Å; T104-A108 VanDerWaalsContact O-N 3.11Å; Q105-A108 WeakPolarHBondContact O-CB 3.2Å; Q105-A108 PolarHBondContact O-N 2.89Å; F106-A108 VanDerWaalsContact C-N 3.27Å; F106-A108 PolarHBondContact O-N 2.86Å; A108-Q111 PolarHBondContact O-N 2.92Å; A108-N112 VanDerWaalsContact O-CG 3.25Å; A108-N112 PolarHBondContact O-N 3.19Å; A108-N112 PolarHBondContact O-ND2 2.71Å |
| 109 | K | 97.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.2 | -65.8 | 177.4 | 175.1 | 173.4 | 0 | 111.7 | Y95 E96 E101 Q105 F106 K107 Q111 N112 K113 | Y95-K109 HydrophobicContact CD1-CB 4.18Å; Y95-K109 HydrophobicContact CE1-CB 4.36Å; E96-K109 PolarHBondContact O-NZ 2.88Å; E101-K109 WeakPolarHBondContact OE1-CD 3.45Å; E101-K109 WeakPolarHBondContact OE1-CE 3.12Å; E101-K109 IonicContact OE1-NZ 2.7Å; E101-K109 PolarHBondContact OE1-NZ 3.35Å; E101-K109 IonicContact OE2-NZ 3.49Å; E101-K109 PolarHBondContact OE2-NZ 3.43Å; Q105-K109 PolarHBondContact O-N 3.19Å; F106-K109 WeakPolarHBondContact O-CB 3.48Å; F106-K109 PolarHBondContact O-N 3.27Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-N112 PolarHBondContact O-N 2.93Å; K109-K113 PolarHBondContact O-N 2.87Å |
| 110 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L85 Y95 F106 K107 N112 K113 E114 Q121 L149 | L85-V110 HydrophobicContact CD1-CG2 4.37Å; L85-V110 HydrophobicContact CD2-CB 4.35Å; L85-V110 HydrophobicContact CD2-CG1 3.65Å; L85-V110 HydrophobicContact CD2-CG2 3.77Å; Y95-V110 HydrophobicContact CE1-CG2 3.98Å; F106-V110 HydrophobicContact CD1-CG2 4.15Å; F106-V110 HydrophobicContact CE1-CG2 3.81Å; F106-V110 HydrophobicContact CZ-CG2 4.04Å; F106-V110 WeakPolarHBondContact O-CG2 3.41Å; F106-V110 PolarHBondContact O-N 3.29Å; K107-V110 PolarHBondContact O-N 2.89Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.39Å; V110-K113 PolarHBondContact O-N 2.85Å; V110-E114 HydrophobicContact CG1-CB 4.34Å; V110-E114 HydrophobicContact CG1-CG 3.76Å; V110-E114 WeakPolarHBondContact O-CB 3.49Å; V110-E114 PolarHBondContact O-N 2.91Å; V110-Q121 HydrophobicContact CG1-CG 4.48Å; V110-L149 HydrophobicContact CG1-CD2 4Å |
| 111 | Q | 97 | Very high | 96 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.4 | 176.9 | 172.9 | -29.4 | 0 | 0 | 111.4 | K107 A108 K109 K113 G115 V116 | K107-Q111 WeakPolarHBondContact O-CB 3.35Å; K107-Q111 PolarHBondContact O-N 2.72Å; A108-Q111 PolarHBondContact O-N 2.92Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 3.48Å; Q111-G115 WeakPolarHBondContact O-CA 3.44Å; Q111-G115 PolarHBondContact O-N 2.83Å; Q111-V116 VanDerWaalsContact CA-O 3.26Å; Q111-V116 WeakPolarHBondContact CA-O 3.4Å; Q111-V116 VanDerWaalsContact CB-O 3.25Å; Q111-V116 WeakPolarHBondContact CB-O 3.42Å; Q111-V116 WeakPolarHBondContact CG-O 3.25Å |
| 112 | N | 96 | Very high | 96.2 | Very high | 139 Ų | 139 | 53.1 Ų | 53.1 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.9 | -30.8 | -179.6 | -68.4 | -20.3 | 0 | 0 | 0 | 112.8 | A108 K109 V110 | A108-N112 VanDerWaalsContact O-CG 3.25Å; A108-N112 PolarHBondContact O-N 3.19Å; A108-N112 PolarHBondContact O-ND2 2.71Å; K109-N112 PolarHBondContact O-N 2.93Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.39Å |
| 113 | K | 94.6 | Very high | 96.2 | Very high | 116 Ų | 116 | 51.3 Ų | 51.3 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -99.1 | -39.6 | -174.1 | -172.5 | 168.9 | 177.8 | 177 | 0 | 113.9 | T94 Y95 K109 V110 Q111 | T94-K113 PolarHBondContact O-NZ 3.06Å; Y95-K113 HydrophobicContact CE1-CB 4.03Å; Y95-K113 HydrophobicContact CE1-CD 3.79Å; Y95-K113 HydrophobicContact CE1-CG 4.44Å; Y95-K113 HydrophobicContact CE2-CD 4.38Å; Y95-K113 WeakPolarHBondContact OH-CB 3.49Å; K109-K113 PolarHBondContact O-N 2.87Å; V110-K113 PolarHBondContact O-N 2.85Å; Q111-K113 PolarHBondContact O-N 3.48Å |
| 114 | E | 93.1 | Very high | 96.2 | Very high | 45 Ų | 45 | 53 Ų | 53 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -93.3 | -15.7 | 178.6 | -53.5 | -65.4 | 146.2 | 0 | 0 | 113.1 | L85 H93 Y95 V110 V116 L149 | L85-E114 HydrophobicContact CD2-CG 4.16Å; H93-E114 IonicContact CE1-OE1 3.42Å; H93-E114 IonicContact CE1-OE2 2.84Å; H93-E114 IonicContact CG-OE1 2.71Å; H93-E114 IonicContact ND1-OE1 3.66Å; H93-E114 PolarHBondContact ND1-OE1 3.18Å; H93-E114 IonicContact ND1-OE2 3.57Å; H93-E114 PolarHBondContact ND1-OE2 2.94Å; Y95-E114 WeakPolarHBondContact OH-CG 3.48Å; Y95-E114 PolarHBondContact OH-OE1 3.47Å; V110-E114 HydrophobicContact CG1-CB 4.34Å; V110-E114 HydrophobicContact CG1-CG 3.76Å; V110-E114 WeakPolarHBondContact O-CB 3.49Å; V110-E114 PolarHBondContact O-N 2.91Å; E114-V116 VanDerWaalsContact C-N 3.27Å; E114-V116 HydrophobicContact CB-CG2 4.11Å; E114-V116 PolarHBondContact O-N 2.7Å; E114-L149 HydrophobicContact CG-CD2 4.32Å |
| 115 | G | 93.9 | Very high | 96.3 | Very high | 63 Ų | 63 | 50 Ų | 50 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | trans | 76 | 8.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q111 | Q111-G115 WeakPolarHBondContact O-CA 3.44Å; Q111-G115 PolarHBondContact O-N 2.83Å | ||
| 116 | V | 93.2 | Very high | 96.2 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | trans | -90.3 | 121.6 | -179 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | Q111 E114 A118 Q120 Q121 L151 | Q111-V116 VanDerWaalsContact CA-O 3.26Å; Q111-V116 WeakPolarHBondContact CA-O 3.4Å; Q111-V116 VanDerWaalsContact CB-O 3.25Å; Q111-V116 WeakPolarHBondContact CB-O 3.42Å; Q111-V116 WeakPolarHBondContact CG-O 3.25Å; E114-V116 VanDerWaalsContact C-N 3.27Å; E114-V116 HydrophobicContact CB-CG2 4.11Å; E114-V116 PolarHBondContact O-N 2.7Å; V116-A118 PolarHBondContact O-N 2.83Å; V116-Q120 HydrophobicContact CG1-CB 4.17Å; V116-Q121 HydrophobicContact CB-CG 4.2Å; V116-Q121 HydrophobicContact CG1-CG 3.7Å; V116-Q121 PolarHBondContact O-NE2 2.91Å; V116-L151 HydrophobicContact CB-CD2 4.3Å; V116-L151 HydrophobicContact CG1-CD2 3.37Å; V116-L151 HydrophobicContact CG2-CD2 3.94Å | ||
| 117 | P | 95.5 | Very high | 96.1 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | trans | -55.1 | 137.3 | 176.3 | -29.4 | 39 | 0 | 0 | 0 | 113.4 | D119 Q120 Q121 | P117-D119 WeakPolarHBondContact CB-OD1 3.48Å; P117-D119 PolarHBondContact O-N 3.01Å; P117-D119 VanDerWaalsContact O-N 3.15Å; P117-Q120 HydrophobicContact CB-CG 4.44Å; P117-Q120 WeakPolarHBondContact O-CA 3.34Å; P117-Q120 WeakPolarHBondContact O-CB 3.47Å; P117-Q120 PolarHBondContact O-N 3.45Å; P117-Q121 WeakPolarHBondContact O-CG 3.32Å; P117-Q121 PolarHBondContact O-N 3.09Å | ||
| 118 | A | 95.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K107 V116 Q120 Q121 | K107-A118 HydrophobicContact CB-CB 4.04Å; K107-A118 PolarHBondContact NZ-O 3.27Å; V116-A118 PolarHBondContact O-N 2.83Å; A118-Q120 VanDerWaalsContact C-N 3.29Å; A118-Q121 PolarHBondContact O-N 3.34Å |
| 119 | D | 94 | Very high | 96 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27.6 | 175.5 | 64.5 | -36 | 0 | 0 | 0 | 112.9 | P117 | P117-D119 WeakPolarHBondContact CB-OD1 3.48Å; P117-D119 PolarHBondContact O-N 3.01Å; P117-D119 VanDerWaalsContact O-N 3.15Å |
| 120 | Q | 95.2 | Very high | 96.1 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -11.4 | 176.1 | -68 | 164.8 | 40.3 | 0 | 0 | 112.9 | V116 P117 A118 L151 R152 | V116-Q120 HydrophobicContact CG1-CB 4.17Å; P117-Q120 HydrophobicContact CB-CG 4.44Å; P117-Q120 WeakPolarHBondContact O-CA 3.34Å; P117-Q120 WeakPolarHBondContact O-CB 3.47Å; P117-Q120 PolarHBondContact O-N 3.45Å; A118-Q120 VanDerWaalsContact C-N 3.29Å; Q120-L151 WeakPolarHBondContact O-CA 3.05Å; Q120-R152 PolarHBondContact O-N 3Å |
| 121 | Q | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.1 | 178.4 | -63.1 | 174.7 | 31.5 | 0 | 0 | 111.4 | K107 V110 V116 P117 A118 L149 | K107-Q121 VanDerWaalsContact CB-OE1 3.31Å; K107-Q121 HydrophobicContact CD-CB 4.35Å; K107-Q121 VanDerWaalsContact CE-O 3.27Å; K107-Q121 WeakPolarHBondContact CE-O 3.47Å; K107-Q121 HydrophobicContact CG-CB 4.3Å; K107-Q121 VanDerWaalsContact CG-OE1 3.31Å; K107-Q121 PolarHBondContact NZ-O 3.22Å; K107-Q121 VanDerWaalsContact NZ-O 3.13Å; K107-Q121 PolarHBondContact O-NE2 3.3Å; K107-Q121 PolarHBondContact O-OE1 3.45Å; V110-Q121 HydrophobicContact CG1-CG 4.48Å; V116-Q121 HydrophobicContact CB-CG 4.2Å; V116-Q121 HydrophobicContact CG1-CG 3.7Å; V116-Q121 PolarHBondContact O-NE2 2.91Å; P117-Q121 WeakPolarHBondContact O-CG 3.32Å; P117-Q121 PolarHBondContact O-N 3.09Å; A118-Q121 PolarHBondContact O-N 3.34Å; Q121-L149 HydrophobicContact CB-CD1 3.84Å; Q121-L149 HydrophobicContact CG-CD1 3.92Å |
| 122 | R | 97.1 | Very high | 96 | Very high | 106 Ų | 106 | 62.6 Ų | 62.6 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 104.2 | 165.3 | -177.6 | -176.7 | -166.2 | -159.1 | 1.2 | 109 | I124 Q129 T150 R152 | R122-I124 HydrophobicContact CG-CD1 4.46Å; R122-I124 HydrophobicContact CG-CG1 4.32Å; R122-Q129 HydrophobicContact CG-CG 4.13Å; R122-T150 WeakPolarHBondContact CA-O 3.35Å; R122-T150 WeakPolarHBondContact CB-O 3.17Å; R122-T150 WeakPolarHBondContact CB-OG1 3.22Å; R122-T150 WeakPolarHBondContact CD-OG1 3.35Å; R122-T150 PolarHBondContact N-O 3.49Å; R122-T150 PolarHBondContact O-N 2.8Å; R122-T150 PolarHBondContact O-OG1 3.33Å; R122-T150 VanDerWaalsContact O-OG1 3.1Å; R122-R152 HydrophobicContact CB-CG 4.1Å |
| 123 | L | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.4 | 178.3 | -58.2 | -179.7 | 0 | 0 | 0 | 110.6 | L85 V103 F106 K107 Q129 L130 I147 H148 L149 | L85-L123 HydrophobicContact CD1-CD2 3.86Å; V103-L123 HydrophobicContact CG1-CD1 4.3Å; F106-L123 HydrophobicContact CD1-CD1 3.57Å; F106-L123 HydrophobicContact CE1-CD1 3.99Å; K107-L123 HydrophobicContact CG-CD1 3.6Å; K107-L123 HydrophobicContact CG-CG 4.25Å; L123-Q129 WeakPolarHBondContact O-CA 3.49Å; L123-L130 HydrophobicContact CB-CB 4.23Å; L123-L130 HydrophobicContact CB-CD1 3.84Å; L123-L130 HydrophobicContact CB-CG 4.09Å; L123-L130 PolarHBondContact O-N 2.81Å; L123-I147 HydrophobicContact CB-CG2 3.94Å; L123-I147 HydrophobicContact CD2-CG2 4.17Å; L123-H148 CarbonylContact C-O 3.58Å; L123-H148 WeakPolarHBondContact CA-O 3.45Å; L123-L149 HydrophobicContact CD2-CB 4.23Å; L123-L149 HydrophobicContact CD2-CD1 3.8Å |
| 124 | I | 98 | Very high | 96 | Very high | 35 Ų | 35 | 66.5 Ų | 66.5 | 18% | 0.179 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.2 | -175.9 | -55.2 | 171.5 | 0 | 0 | 0 | 109.7 | R122 K128 H148 T150 | R122-I124 HydrophobicContact CG-CD1 4.46Å; R122-I124 HydrophobicContact CG-CG1 4.32Å; I124-K128 CarbonylContact C-O 3.57Å; I124-K128 VanDerWaalsContact CA-O 3.31Å; I124-K128 WeakPolarHBondContact CA-O 3.35Å; I124-H148 HydrophobicContact CB-CB 4.39Å; I124-H148 PolarHBondContact N-O 2.83Å; I124-H148 PolarHBondContact O-N 3.21Å; I124-T150 HydrophobicContact CD1-CG2 4.36Å |
| 125 | H | 98.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 66.6 Ų | 66.6 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 133.1 | 172.1 | -172.9 | 57.4 | 0 | 0 | 0 | 109.6 | G127 K128 L130 Y139 V141 T146 | H125-G127 PolarHBondContact O-N 2.95Å; H125-G127 VanDerWaalsContact O-N 3.12Å; H125-K128 PolarHBondContact N-O 3.43Å; H125-K128 WeakPolarHBondContact O-CA 3.41Å; H125-K128 WeakPolarHBondContact O-CB 3.28Å; H125-K128 PolarHBondContact O-N 2.81Å; H125-L130 HydrophobicContact CB-CD2 3.99Å; H125-Y139 PolarHBondContact CD2-O 2.71Å; H125-V141 HydrophobicContact CB-CG2 4.2Å; H125-T146 PolarHBondContact ND1-O 2.84Å |
| 126 | E | 96.6 | Very high | 96.2 | Very high | 145 Ų | 145 | 63.9 Ų | 63.9 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 41.3 | -177.7 | -60.1 | -170.1 | 153.5 | 0 | 0 | 113.9 | K128 | E126-K128 PolarHBondContact O-N 2.86Š|
| 127 | G | 95.4 | Very high | 96.2 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 77% | 0.773 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H125 | H125-G127 PolarHBondContact O-N 2.95Å; H125-G127 VanDerWaalsContact O-N 3.12Å |
| 128 | K | 97.2 | Very high | 96.1 | Very high | 124 Ų | 124 | 68.2 Ų | 68.2 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.7 | 177.8 | -63.4 | 175 | -175.3 | 166.7 | 0 | 110.8 | I124 H125 E126 Y139 | I124-K128 CarbonylContact C-O 3.57Å; I124-K128 VanDerWaalsContact CA-O 3.31Å; I124-K128 WeakPolarHBondContact CA-O 3.35Å; H125-K128 PolarHBondContact N-O 3.43Å; H125-K128 WeakPolarHBondContact O-CA 3.41Å; H125-K128 WeakPolarHBondContact O-CB 3.28Å; H125-K128 PolarHBondContact O-N 2.81Å; E126-K128 PolarHBondContact O-N 2.86Å; K128-Y139 HydrophobicContact CB-CD1 4.22Å; K128-Y139 HydrophobicContact CB-CE1 4.47Å; K128-Y139 HydrophobicContact CD-CD1 4.48Å |
| 129 | Q | 97.1 | Very high | 96.1 | Very high | 77 Ų | 77 | 68.4 Ų | 68.4 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.7 | 169 | -177 | -179.1 | -43.5 | 0 | 0 | 109.9 | R122 L123 Y139 | R122-Q129 HydrophobicContact CG-CG 4.13Å; L123-Q129 WeakPolarHBondContact O-CA 3.49Å; Q129-Y139 WeakPolarHBondContact O-CE1 3.39Å |
| 130 | L | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 134.7 | 178.5 | -50.1 | -172.8 | 0 | 0 | 0 | 110.6 | V103 L123 H125 L136 Y139 I147 | V103-L130 HydrophobicContact CB-CB 4.41Å; V103-L130 HydrophobicContact CG1-CB 3.76Å; V103-L130 HydrophobicContact CG2-CB 3.71Å; V103-L130 HydrophobicContact CG2-CD1 4.35Å; L123-L130 HydrophobicContact CB-CB 4.23Å; L123-L130 HydrophobicContact CB-CD1 3.84Å; L123-L130 HydrophobicContact CB-CG 4.09Å; L123-L130 PolarHBondContact O-N 2.81Å; H125-L130 HydrophobicContact CB-CD2 3.99Å; L130-L136 HydrophobicContact CD1-CD2 3.84Å; L130-Y139 HydrophobicContact CB-CE2 4.34Å; L130-Y139 HydrophobicContact CD2-CD1 3.61Å; L130-Y139 HydrophobicContact CD2-CD2 3.6Å; L130-Y139 HydrophobicContact CD2-CE1 4.11Å; L130-Y139 HydrophobicContact CD2-CE2 4.08Å; L130-Y139 HydrophobicContact CD2-CG 3.33Å; L130-I147 HydrophobicContact CD1-CD1 4.33Å; L130-I147 HydrophobicContact CD1-CG2 4.15Å |
| 131 | D | 97.3 | Very high | 96.1 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 130.9 | 176.5 | -172.1 | -49.2 | 0 | 0 | 0 | 110 | V103 R133 K134 Y139 | V103-D131 VanDerWaalsContact CB-O 3.23Å; V103-D131 WeakPolarHBondContact CB-O 3.5Å; V103-D131 VanDerWaalsContact CG2-O 3.25Å; V103-D131 WeakPolarHBondContact CG2-O 3.27Å; D131-R133 PolarHBondContact O-N 2.84Å; D131-R133 VanDerWaalsContact O-N 3.11Å; D131-R133 PolarHBondContact OD1-N 3.5Å; D131-K134 HydrophobicContact CB-CG 4.4Å; D131-K134 PolarHBondContact O-N 2.9Å; D131-Y139 WeakPolarHBondContact CB-OH 3.4Å; D131-Y139 PolarHBondContact N-OH 3.31Å |
| 132 | D | 96.2 | Very high | 96 | Very high | 60 Ų | 60 | 71 Ų | 71 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -35.7 | -178.2 | -71.9 | -9.4 | 0 | 0 | 0 | 113.5 | T104 K107 | T104-D132 PolarHBondContact N-O 2.79Å; T104-D132 WeakPolarHBondContact OG1-CB 3.44Å; T104-D132 PolarHBondContact OG1-O 3.36Å; K107-D132 WeakPolarHBondContact CD-OD1 3.37Å; K107-D132 WeakPolarHBondContact CE-OD1 3.25Å; K107-D132 IonicContact NZ-OD1 2.69Å; K107-D132 PolarHBondContact NZ-OD1 3.04Å; K107-D132 IonicContact NZ-OD2 3.5Å; K107-D132 PolarHBondContact NZ-OD2 2.82Å |
| 133 | R | 94.8 | Very high | 96 | Very high | 232 Ų | 232 | 70.2 Ų | 70.2 | 88% | 0.875 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.9 | -176.1 | -61.7 | -178.8 | -178.9 | 171.2 | 1 | 114.3 | D131 | D131-R133 PolarHBondContact O-N 2.84Å; D131-R133 VanDerWaalsContact O-N 3.11Å; D131-R133 PolarHBondContact OD1-N 3.5Å |
| 134 | K | 95.4 | Very high | 95.9 | Very high | 105 Ų | 105 | 74.6 Ų | 74.6 | 46% | 0.457 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -101.4 | 161.1 | -177.4 | -71.7 | -167.7 | 180 | -173.5 | 0 | 111.5 | T102 V103 D131 Y139 | T102-K134 WeakPolarHBondContact CA-O 3.28Å; V103-K134 WeakPolarHBondContact CG2-O 3.45Å; V103-K134 PolarHBondContact N-O 3.38Å; D131-K134 HydrophobicContact CB-CG 4.4Å; D131-K134 PolarHBondContact O-N 2.9Å; K134-Y139 HydrophobicContact CB-CE2 3.72Å; K134-Y139 HydrophobicContact CD-CE2 4.09Å |
| 135 | K | 94.7 | Very high | 95.9 | Very high | 48 Ų | 48 | 74 Ų | 74 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 154.1 | 175.3 | -60.2 | 175.9 | 167.6 | -172.6 | 0 | 110.2 | E101 E137 D138 Y139 | E101-K135 WeakPolarHBondContact O-CA 3.44Å; K135-E137 HydrophobicContact CB-CG 3.92Å; K135-E137 HydrophobicContact CD-CG 4.31Å; K135-E137 VanDerWaalsContact CD-OE1 3.32Å; K135-E137 WeakPolarHBondContact CD-OE1 3.36Å; K135-E137 IonicContact NZ-OE1 3.38Å; K135-E137 PolarHBondContact O-N 3.03Å; K135-D138 WeakPolarHBondContact CB-OD2 3.26Å; K135-D138 PolarHBondContact N-OD2 3.26Å; K135-D138 WeakPolarHBondContact O-CB 3.32Å; K135-D138 PolarHBondContact O-N 3.04Å; K135-Y139 WeakPolarHBondContact O-CD2 3.27Å |
| 136 | L | 96.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -59.7 | -39.3 | 173.9 | -71.1 | 173.5 | 0 | 0 | 0 | 111.6 | V97 E101 V103 F106 L130 D138 Y139 V141 I147 | V97-L136 HydrophobicContact CB-CD1 4.45Å; V97-L136 HydrophobicContact CG1-CD1 3.5Å; V97-L136 VanDerWaalsContact CG1-CD1 3.5Å; V97-L136 HydrophobicContact CG2-CD1 4.06Å; E101-L136 PolarHBondContact O-N 3.46Å; V103-L136 HydrophobicContact CG2-CD2 4.06Å; F106-L136 HydrophobicContact CB-CD1 3.89Å; F106-L136 HydrophobicContact CB-CD2 4.38Å; F106-L136 HydrophobicContact CB-CG 4.44Å; F106-L136 HydrophobicContact CD1-CD2 4.28Å; F106-L136 HydrophobicContact CD2-CD1 4.07Å; F106-L136 HydrophobicContact CG-CD1 3.91Å; F106-L136 HydrophobicContact CG-CD2 4.38Å; L130-L136 HydrophobicContact CD1-CD2 3.84Å; L136-D138 VanDerWaalsContact C-N 3.27Å; L136-D138 PolarHBondContact O-N 3.35Å; L136-Y139 PolarHBondContact O-N 2.88Å; L136-Y139 VanDerWaalsContact O-N 3.11Å; L136-V141 HydrophobicContact CB-CB 4Å; L136-V141 HydrophobicContact CB-CG1 4.26Å; L136-V141 HydrophobicContact CB-CG2 4.32Å; L136-V141 HydrophobicContact CD2-CG2 4.42Å; L136-V141 VanDerWaalsContact O-CB 3.31Å; L136-V141 WeakPolarHBondContact O-CB 3.41Å; L136-V141 WeakPolarHBondContact O-CG2 3.48Å; L136-V141 PolarHBondContact O-N 3.04Å; L136-I147 HydrophobicContact CD2-CD1 4.03Å |
| 137 | E | 93 | Very high | 96 | Very high | 58 Ų | 58 | 69 Ų | 69 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -65.2 | -27.4 | -179.8 | 67.7 | -168 | 176.3 | 0 | 0 | 113.6 | S99 K135 Y139 G140 | S99-E137 PolarHBondContact OG-OE2 3.42Å; K135-E137 HydrophobicContact CB-CG 3.92Å; K135-E137 HydrophobicContact CD-CG 4.31Å; K135-E137 VanDerWaalsContact CD-OE1 3.32Å; K135-E137 WeakPolarHBondContact CD-OE1 3.36Å; K135-E137 IonicContact NZ-OE1 3.38Å; K135-E137 PolarHBondContact O-N 3.03Å; E137-Y139 PolarHBondContact O-N 3.45Å; E137-G140 PolarHBondContact O-N 2.97Å |
| 138 | D | 92.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 69.4 Ų | 69.4 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.1 | 175.5 | -61.8 | -28.6 | 0 | 0 | 0 | 112 | K135 L136 | K135-D138 WeakPolarHBondContact CB-OD2 3.26Å; K135-D138 PolarHBondContact N-OD2 3.26Å; K135-D138 WeakPolarHBondContact O-CB 3.32Å; K135-D138 PolarHBondContact O-N 3.04Å; L136-D138 VanDerWaalsContact C-N 3.27Å; L136-D138 PolarHBondContact O-N 3.35Å |
| 139 | Y | 95.9 | Very high | 96.2 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -96.9 | 4.6 | 175.9 | -69 | -84.8 | 0 | 0 | 0 | 113.4 | V103 H125 K128 Q129 L130 D131 K134 K135 L136 E137 V141 | V103-Y139 HydrophobicContact CG2-CE2 4.41Å; H125-Y139 PolarHBondContact CD2-O 2.71Å; K128-Y139 HydrophobicContact CB-CD1 4.22Å; K128-Y139 HydrophobicContact CB-CE1 4.47Å; K128-Y139 HydrophobicContact CD-CD1 4.48Å; Q129-Y139 WeakPolarHBondContact O-CE1 3.39Å; L130-Y139 HydrophobicContact CB-CE2 4.34Å; L130-Y139 HydrophobicContact CD2-CD1 3.61Å; L130-Y139 HydrophobicContact CD2-CD2 3.6Å; L130-Y139 HydrophobicContact CD2-CE1 4.11Å; L130-Y139 HydrophobicContact CD2-CE2 4.08Å; L130-Y139 HydrophobicContact CD2-CG 3.33Å; D131-Y139 WeakPolarHBondContact CB-OH 3.4Å; D131-Y139 PolarHBondContact N-OH 3.31Å; K134-Y139 HydrophobicContact CB-CE2 3.72Å; K134-Y139 HydrophobicContact CD-CE2 4.09Å; K135-Y139 WeakPolarHBondContact O-CD2 3.27Å; L136-Y139 PolarHBondContact O-N 2.88Å; L136-Y139 VanDerWaalsContact O-N 3.11Å; E137-Y139 PolarHBondContact O-N 3.45Å; Y139-V141 VanDerWaalsContact C-N 3.33Å |
| 140 | G | 93.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 62 Ų | 62 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 12.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E137 R142 | E137-G140 PolarHBondContact O-N 2.97Å; G140-R142 WeakPolarHBondContact O-CG 3.45Å; G140-R142 PolarHBondContact O-N 2.85Å |
| 141 | V | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 119.9 | 172.5 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | V83 H125 L136 Y139 I147 | V83-V141 HydrophobicContact CG1-CG1 3.74Å; H125-V141 HydrophobicContact CB-CG2 4.2Å; L136-V141 HydrophobicContact CB-CB 4Å; L136-V141 HydrophobicContact CB-CG1 4.26Å; L136-V141 HydrophobicContact CB-CG2 4.32Å; L136-V141 HydrophobicContact CD2-CG2 4.42Å; L136-V141 VanDerWaalsContact O-CB 3.31Å; L136-V141 WeakPolarHBondContact O-CB 3.41Å; L136-V141 WeakPolarHBondContact O-CG2 3.48Å; L136-V141 PolarHBondContact O-N 3.04Å; Y139-V141 VanDerWaalsContact C-N 3.33Å; V141-I147 HydrophobicContact CG1-CD1 4.05Å; V141-I147 HydrophobicContact CG1-CG1 4.48Å; V141-I147 HydrophobicContact CG2-CD1 4.18Å; V141-I147 HydrophobicContact CG2-CG1 4.3Å | ||
| 142 | R | 94.4 | Very high | 95.4 | Very high | 161 Ų | 161 | 66.9 Ų | 66.9 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | trans | -125.7 | -178.8 | 179.3 | -59.3 | -60.5 | -179.6 | 159.5 | -1.4 | 109.9 | G140 L144 S145 | G140-R142 WeakPolarHBondContact O-CG 3.45Å; G140-R142 PolarHBondContact O-N 2.85Å; R142-L144 PolarHBondContact O-N 2.84Å; R142-S145 PolarHBondContact N-OG 3.03Å; R142-S145 WeakPolarHBondContact O-CB 3.49Å; R142-S145 PolarHBondContact O-N 2.83Å; R142-S145 PolarHBondContact O-OG 3Å | ||
| 143 | N | 95.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 72 Ų | 72 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 132.7 | 173.8 | -168.8 | 47.5 | 0 | 0 | 0 | 110.5 | I81 Q82 S145 | I81-N143 HydrophobicContact CB-CB 4.02Å; I81-N143 HydrophobicContact CG2-CB 4.05Å; Q82-N143 PolarHBondContact N-OD1 2.83Å; Q82-N143 CarbonylContact O-C 3.53Å; Q82-N143 PolarHBondContact O-OD1 3.21Å; N143-S145 PolarHBondContact O-N 2.78Å |
| 144 | L | 96.7 | Very high | 93.5 | Very high | 94 Ų | 94 | 70.2 Ų | 70.2 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 10.7 | -176.5 | -48.7 | 175.9 | 0 | 0 | 0 | 115.2 | Q82 F84 R142 | Q82-L144 HydrophobicContact CB-CD2 4.43Å; Q82-L144 WeakPolarHBondContact O-CA 3.45Å; Q82-L144 PolarHBondContact O-N 3.41Å; F84-L144 WeakPolarHBondContact CD2-O 3.4Å; F84-L144 HydrophobicContact CE2-CB 3.95Å; F84-L144 HydrophobicContact CE2-CD2 4Å; F84-L144 HydrophobicContact CZ-CD2 3.82Å; R142-L144 PolarHBondContact O-N 2.84Å |
| 145 | S | 97.9 | Very high | 92 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | trans | -62.2 | 147.8 | 171 | -75.4 | 0 | 0 | 0 | 0 | 111.4 | F84 R142 N143 | F84-S145 PolarHBondContact N-O 3.17Å; R142-S145 PolarHBondContact N-OG 3.03Å; R142-S145 WeakPolarHBondContact O-CB 3.49Å; R142-S145 PolarHBondContact O-N 2.83Å; R142-S145 PolarHBondContact O-OG 3Å; N143-S145 PolarHBondContact O-N 2.78Å | ||
| 146 | T | 98.3 | Very high | 90 | Very high | 52 Ų | 52 | 73.9 Ų | 73.9 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.7 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | F84 K86 H125 | F84-T146 HydrophobicContact CB-CG2 4.44Å; F84-T146 CarbonylContact O-C 3.55Å; F84-T146 WeakPolarHBondContact O-CA 3.48Å; K86-T146 HydrophobicContact CB-CG2 4.22Å; H125-T146 PolarHBondContact ND1-O 2.84Å |
| 147 | I | 98.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135 | 172.1 | -59.4 | 171.4 | 0 | 0 | 0 | 107.8 | V83 F84 L85 K86 F106 L123 L130 L136 V141 | V83-I147 HydrophobicContact CG2-CD1 4.48Å; F84-I147 PolarHBondContact O-N 3.11Å; L85-I147 CarbonylContact C-O 3.58Å; L85-I147 VanDerWaalsContact CA-O 3.3Å; L85-I147 WeakPolarHBondContact CA-O 3.33Å; L85-I147 HydrophobicContact CD1-CB 4.07Å; L85-I147 HydrophobicContact CD1-CG2 3.93Å; K86-I147 PolarHBondContact N-O 2.85Å; F106-I147 HydrophobicContact CD1-CD1 4.26Å; F106-I147 HydrophobicContact CE1-CD1 3.65Å; F106-I147 HydrophobicContact CE1-CG2 4.48Å; F106-I147 HydrophobicContact CZ-CD1 3.96Å; L123-I147 HydrophobicContact CB-CG2 3.94Å; L123-I147 HydrophobicContact CD2-CG2 4.17Å; L130-I147 HydrophobicContact CD1-CD1 4.33Å; L130-I147 HydrophobicContact CD1-CG2 4.15Å; L136-I147 HydrophobicContact CD2-CD1 4.03Å; V141-I147 HydrophobicContact CG1-CD1 4.05Å; V141-I147 HydrophobicContact CG1-CG1 4.48Å; V141-I147 HydrophobicContact CG2-CD1 4.18Å; V141-I147 HydrophobicContact CG2-CG1 4.3Å |
| 148 | H | 98.4 | Very high | 89.5 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 39% | 0.389 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129.2 | 176.2 | -60.7 | 90 | 0 | 0 | 0 | 109.8 | K86 L123 I124 | K86-H148 WeakPolarHBondContact O-CA 3.16Å; L123-H148 CarbonylContact C-O 3.58Å; L123-H148 WeakPolarHBondContact CA-O 3.45Å; I124-H148 HydrophobicContact CB-CB 4.39Å; I124-H148 PolarHBondContact N-O 2.83Å; I124-H148 PolarHBondContact O-N 3.21Å |
| 149 | L | 97.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.8 | 170.9 | 172.8 | 64.4 | 0 | 0 | 0 | 109.5 | L85 K86 E88 V110 E114 Q121 L123 | L85-L149 HydrophobicContact CD1-CB 4.07Å; L85-L149 HydrophobicContact CD2-CB 4.17Å; L85-L149 HydrophobicContact CD2-CD2 4.15Å; L85-L149 HydrophobicContact CG-CB 4.13Å; K86-L149 PolarHBondContact O-N 2.82Å; E88-L149 WeakPolarHBondContact CG-O 3.5Å; V110-L149 HydrophobicContact CG1-CD2 4Å; E114-L149 HydrophobicContact CG-CD2 4.32Å; Q121-L149 HydrophobicContact CB-CD1 3.84Å; Q121-L149 HydrophobicContact CG-CD1 3.92Å; L123-L149 HydrophobicContact CD2-CB 4.23Å; L123-L149 HydrophobicContact CD2-CD1 3.8Å |
| 150 | T | 95.1 | Very high | 89 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 25% | 0.245 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153.3 | 166.4 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | E88 R122 I124 | E88-T150 VanDerWaalsContact OE1-CA 3.28Å; E88-T150 WeakPolarHBondContact OE1-CA 3.38Å; R122-T150 WeakPolarHBondContact CA-O 3.35Å; R122-T150 WeakPolarHBondContact CB-O 3.17Å; R122-T150 WeakPolarHBondContact CB-OG1 3.22Å; R122-T150 WeakPolarHBondContact CD-OG1 3.35Å; R122-T150 PolarHBondContact N-O 3.49Å; R122-T150 PolarHBondContact O-N 2.8Å; R122-T150 PolarHBondContact O-OG1 3.33Å; R122-T150 VanDerWaalsContact O-OG1 3.1Å; I124-T150 HydrophobicContact CD1-CG2 4.36Å |
| 151 | L | 93.2 | Very high | 88.7 | Confident | 77 Ų | 77 | 82.8 Ų | 82.8 | 40% | 0.403 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 139 | -179 | -59.1 | -176.9 | 0 | 0 | 0 | 110.5 | E88 V116 Q120 | E88-L151 PolarHBondContact OE1-N 3.27Å; V116-L151 HydrophobicContact CB-CD2 4.3Å; V116-L151 HydrophobicContact CG1-CD2 3.37Å; V116-L151 HydrophobicContact CG2-CD2 3.94Å; Q120-L151 WeakPolarHBondContact O-CA 3.05Å |
| 152 | R | 87.9 | Confident | 88.2 | Confident | 106 Ų | 106 | 88.1 Ų | 88.1 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 129.6 | 165.3 | -64.5 | -179.8 | 174.5 | 171.8 | -2.3 | 108.6 | Q120 R122 | Q120-R152 PolarHBondContact O-N 3Å; R122-R152 HydrophobicContact CB-CG 4.1Å |
| 153 | L | 78.4 | Confident | 87.7 | Confident | 168 Ų | 168 | 82.9 Ų | 82.9 | 88% | 0.88 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 137.5 | 169 | -61.1 | 175.6 | 0 | 0 | 0 | 108.9 | G155 | L153-G155 PolarHBondContact O-N 3.22Š|
| 154 | R | 73.1 | Confident | 87.1 | Confident | 193 Ų | 193 | 82.5 Ų | 82.5 | 73% | 0.728 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 127.2 | 168.5 | -67.8 | -179.3 | 179.4 | 176.1 | -4.5 | 108.2 | ||
| 155 | G | 64.2 | Low | 86.3 | Confident | 77 Ų | 77 | 81.5 Ų | 81.5 | 79% | 0.794 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 121.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | L153 | L153-G155 PolarHBondContact O-N 3.22Š|
| 156 | G | 52.8 | Low | 85.2 | Confident | 154 Ų | 154 | 87 Ų | 87 | 100% | 1.588 | 53% | 0.525 | S | S | * | . | trans | -70.6 | 0 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 156 of 156 residues in 75 ms
(Link to these results)