| 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 | 92.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | 0 | 138.3 | 0 | 68.8 | 176.8 | -176.3 | 0 | 0 | 107.8 | I3 V17 P19 L60 L65 | M1-I3 HydrophobicContact CE-CG2 4.28Å; M1-I3 HydrophobicContact CG-CG2 4.47Å; M1-V17 HydrophobicContact CE-CG2 3.97Å; M1-V17 HydrophobicContact CG-CG2 4.14Å; M1-V17 VanDerWaalsContact CG-O 3.26Å; M1-V17 WeakPolarHBondContact CG-O 3.17Å; M1-V17 PolarHBondContact N-O 2.87Å; M1-V17 PolarHBondContact O-N 3.04Å; M1-P19 HydrophobicContact CE-CB 4.47Å; M1-P19 HydrophobicContact CE-CG 4.4Å; M1-P19 HydrophobicContact CG-CG 4.49Å; M1-P19 HydrophobicContact SD-CB 4.4Å; M1-P19 HydrophobicContact SD-CG 3.79Å; M1-L60 HydrophobicContact CE-CB 3.97Å; M1-L60 HydrophobicContact CE-CD1 4.2Å; M1-L65 HydrophobicContact CE-CB 3.89Å | |||
| 2 | D | 94.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.8 | -178.2 | -67.5 | -17 | 0 | 0 | 0 | 109.1 | T14 L15 S16 S67 G68 | D2-T14 HydrophobicContact CB-CG2 3.91Å; D2-L15 WeakPolarHBondContact CA-O 3.39Å; D2-S16 WeakPolarHBondContact OD1-CB 3.24Å; D2-S67 PolarHBondContact N-OG 3.03Å; D2-S67 CarbonylContact O-C 3.57Å; D2-S67 WeakPolarHBondContact O-CA 3.49Å; D2-G68 PolarHBondContact O-N 2.95Å |
| 3 | I | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 155.8 | 174.9 | 65.2 | 169.3 | 0 | 0 | 0 | 109.8 | M1 I5 T14 L15 V17 L26 L65 V71 | M1-I3 HydrophobicContact CE-CG2 4.28Å; M1-I3 HydrophobicContact CG-CG2 4.47Å; I3-I5 HydrophobicContact CD1-CD1 4.08Å; I3-T14 WeakPolarHBondContact O-CA 3.38Å; I3-L15 HydrophobicContact CG1-CB 4.13Å; I3-L15 PolarHBondContact N-O 2.82Å; I3-L15 PolarHBondContact O-N 2.84Å; I3-V17 HydrophobicContact CD1-CG2 3.87Å; I3-V17 HydrophobicContact CG1-CG2 3.96Å; I3-V17 HydrophobicContact CG2-CG2 4.14Å; I3-L26 HydrophobicContact CD1-CD1 3.79Å; I3-L26 HydrophobicContact CD1-CD2 3.96Å; I3-L65 HydrophobicContact CD1-CD2 4.2Å; I3-L65 HydrophobicContact CG2-CD2 4.5Å; I3-V71 HydrophobicContact CD1-CG2 4.43Å |
| 4 | I | 95.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.3 | -177.8 | -58 | 167.4 | 0 | 0 | 0 | 108.5 | I6 R12 S69 T70 V71 | I4-I6 HydrophobicContact CG2-CG1 4.13Å; I4-R12 HydrophobicContact CG2-CB 4.16Å; I4-R12 HydrophobicContact CG2-CG 4.46Å; I4-S69 PolarHBondContact N-O 3.47Å; I4-T70 HydrophobicContact CB-CG2 4.13Å; I4-T70 HydrophobicContact CD1-CG2 4.32Å; I4-T70 HydrophobicContact CG2-CG2 4.49Å; I4-T70 CarbonylContact O-C 3.57Å; I4-T70 WeakPolarHBondContact O-CA 3.26Å; I4-V71 PolarHBondContact O-N 2.85Å |
| 5 | I | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123 | 170.1 | -53.6 | -52.9 | 0 | 0 | 0 | 108.9 | I3 R12 H13 L15 I30 L34 V71 L73 | I3-I5 HydrophobicContact CD1-CD1 4.08Å; I5-R12 CarbonylContact O-C 3.5Å; I5-R12 WeakPolarHBondContact O-CA 3.42Å; I5-H13 HydrophobicContact CB-CB 4.47Å; I5-H13 PolarHBondContact N-O 2.81Å; I5-H13 PolarHBondContact O-N 3.29Å; I5-L15 HydrophobicContact CD1-CD1 4.1Å; I5-L15 HydrophobicContact CG1-CD1 3.46Å; I5-L15 VanDerWaalsContact CG1-CD1 3.46Å; I5-L15 HydrophobicContact CG1-CG 3.84Å; I5-I30 HydrophobicContact CD1-CD1 4.08Å; I5-I30 HydrophobicContact CG1-CD1 4.37Å; I5-I30 HydrophobicContact CG1-CG1 4.47Å; I5-L34 HydrophobicContact CG2-CD1 4.22Å; I5-V71 CarbonylContact C-O 3.57Å; I5-V71 WeakPolarHBondContact CA-O 3.34Å; I5-V71 HydrophobicContact CD1-CB 3.82Å; I5-V71 HydrophobicContact CD1-CG1 4.27Å; I5-V71 HydrophobicContact CD1-CG2 4.46Å; I5-L73 HydrophobicContact CG2-CB 3.66Å; I5-L73 HydrophobicContact CG2-CD2 4.14Å |
| 6 | I | 95.1 | Very high | 93 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 21% | 0.205 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.8 | 176.4 | -55.7 | -179.7 | 0 | 0 | 0 | 108.7 | I4 R12 T70 V71 S72 L73 | I4-I6 HydrophobicContact CG2-CG1 4.13Å; I6-R12 HydrophobicContact CG1-CG 4.38Å; I6-T70 HydrophobicContact CD1-CG2 4.06Å; I6-V71 PolarHBondContact N-O 3.48Å; I6-S72 CarbonylContact O-C 3.55Å; I6-S72 WeakPolarHBondContact O-CA 3.47Å; I6-L73 PolarHBondContact O-N 2.94Å |
| 7 | M | 92.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 16% | 0.163 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 162.6 | 173.6 | -68.6 | -165.3 | -177.6 | 0 | 0 | 111.8 | N9 G10 T11 L34 L73 | M7-N9 WeakPolarHBondContact CB-OD1 3.4Å; M7-N9 PolarHBondContact O-N 3.31Å; M7-G10 WeakPolarHBondContact O-CA 3.44Å; M7-G10 PolarHBondContact O-N 2.89Å; M7-T11 PolarHBondContact N-O 2.74Å; M7-L34 HydrophobicContact CE-CB 3.71Å; M7-L34 HydrophobicContact CE-CD1 3.4Å; M7-L34 HydrophobicContact CE-CD2 3.97Å; M7-L34 HydrophobicContact CE-CG 3.86Å; M7-L73 HydrophobicContact CE-CD2 4.23Å; M7-L73 HydrophobicContact CG-CD2 4.42Å |
| 8 | L | 85.5 | Confident | 93.2 | Very high | 134 Ų | 134 | 63.4 Ų | 63.4 | 70% | 0.702 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.7 | 179.3 | -67.5 | 176.9 | 0 | 0 | 0 | 114.2 | G10 L74 | L8-G10 PolarHBondContact O-N 3.24Å; L8-L74 HydrophobicContact CD2-CD2 4.31Å; L8-L74 HydrophobicContact CD2-CG 4.25Å |
| 9 | N | 87.3 | Confident | 93.3 | Very high | 115 Ų | 115 | 63.3 Ų | 63.3 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 0.8 | 173.8 | 65.1 | -1.3 | 0 | 0 | 0 | 113 | M7 T11 | M7-N9 WeakPolarHBondContact CB-OD1 3.4Å; M7-N9 PolarHBondContact O-N 3.31Å; N9-T11 PolarHBondContact ND2-OG1 2.91Å; N9-T11 WeakPolarHBondContact OD1-CB 3.32Å; N9-T11 PolarHBondContact OD1-N 2.79Å; N9-T11 PolarHBondContact OD1-OG1 2.87Å |
| 10 | G | 86.6 | Confident | 93.4 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 84.7 | -1.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | M7 L8 | M7-G10 WeakPolarHBondContact O-CA 3.44Å; M7-G10 PolarHBondContact O-N 2.89Å; L8-G10 PolarHBondContact O-N 3.24Å |
| 11 | T | 92.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | trans | -69.7 | 146.4 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | M7 N9 | M7-T11 PolarHBondContact N-O 2.74Å; N9-T11 PolarHBondContact ND2-OG1 2.91Å; N9-T11 WeakPolarHBondContact OD1-CB 3.32Å; N9-T11 PolarHBondContact OD1-N 2.79Å; N9-T11 PolarHBondContact OD1-OG1 2.87Å | ||
| 12 | R | 94.8 | Very high | 93.8 | Very high | 184 Ų | 184 | 64 Ų | 64 | 69% | 0.694 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131 | -176.9 | -60.7 | -176.8 | 173.5 | -178 | -3.9 | 109.9 | I4 I5 I6 | I4-R12 HydrophobicContact CG2-CB 4.16Å; I4-R12 HydrophobicContact CG2-CG 4.46Å; I5-R12 CarbonylContact O-C 3.5Å; I5-R12 WeakPolarHBondContact O-CA 3.42Å; I6-R12 HydrophobicContact CG1-CG 4.38Å |
| 13 | H | 95.3 | Very high | 94 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127 | 176.8 | -64.1 | -87.3 | 0 | 0 | 0 | 110.1 | I5 L34 | I5-H13 HydrophobicContact CB-CB 4.47Å; I5-H13 PolarHBondContact N-O 2.81Å; I5-H13 PolarHBondContact O-N 3.29Å; H13-L34 HydrophobicContact CB-CD2 4.11Å |
| 14 | T | 95.6 | Very high | 94 | Very high | 93 Ų | 93 | 61 Ų | 61 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.9 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | D2 I3 | D2-T14 HydrophobicContact CB-CG2 3.91Å; I3-T14 WeakPolarHBondContact O-CA 3.38Å |
| 15 | L | 94.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.8 | 176.2 | -60.3 | -173.8 | 0 | 0 | 0 | 110.1 | D2 I3 I5 L26 V29 I30 K33 | D2-L15 WeakPolarHBondContact CA-O 3.39Å; I3-L15 HydrophobicContact CG1-CB 4.13Å; I3-L15 PolarHBondContact N-O 2.82Å; I3-L15 PolarHBondContact O-N 2.84Å; I5-L15 HydrophobicContact CD1-CD1 4.1Å; I5-L15 HydrophobicContact CG1-CD1 3.46Å; I5-L15 VanDerWaalsContact CG1-CD1 3.46Å; I5-L15 HydrophobicContact CG1-CG 3.84Å; L15-L26 HydrophobicContact CD1-CD1 3.99Å; L15-V29 HydrophobicContact CD1-CG1 4.16Å; L15-V29 HydrophobicContact CD2-CG1 4.31Å; L15-I30 HydrophobicContact CD1-CD1 4.48Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L15-K33 HydrophobicContact CD2-CD 3.34Å |
| 16 | S | 95.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 63.9 Ų | 63.9 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 117.4 | 169.6 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | D2 | D2-S16 WeakPolarHBondContact OD1-CB 3.24Å |
| 17 | V | 94.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | trans | -136 | 170.2 | 178.6 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | M1 I3 L26 L60 | M1-V17 HydrophobicContact CE-CG2 3.97Å; M1-V17 HydrophobicContact CG-CG2 4.14Å; M1-V17 VanDerWaalsContact CG-O 3.26Å; M1-V17 WeakPolarHBondContact CG-O 3.17Å; M1-V17 PolarHBondContact N-O 2.87Å; M1-V17 PolarHBondContact O-N 3.04Å; I3-V17 HydrophobicContact CD1-CG2 3.87Å; I3-V17 HydrophobicContact CG1-CG2 3.96Å; I3-V17 HydrophobicContact CG2-CG2 4.14Å; V17-L26 HydrophobicContact CG1-CD1 4.05Å; V17-L60 HydrophobicContact CB-CD1 3.95Å; V17-L60 HydrophobicContact CG1-CD1 4.5Å; V17-L60 HydrophobicContact CG2-CD1 3.55Å | ||
| 18 | Q | 95.7 | Very high | 94.4 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | trans | -107.2 | 149.4 | 175.4 | -45.7 | -167.1 | -61.3 | 0 | 0 | 111.1 | Q20 D21 | Q18-Q20 VanDerWaalsContact CB-CD 3.4Å; Q18-Q20 HydrophobicContact CB-CG 4.2Å; Q18-Q20 PolarHBondContact O-N 3.43Å; Q18-D21 PolarHBondContact N-OD2 3.33Å; Q18-D21 VanDerWaalsContact O-CB 3.28Å; Q18-D21 WeakPolarHBondContact O-CB 3.41Å; Q18-D21 PolarHBondContact O-N 3.42Å | ||
| 19 | P | 93.8 | Very high | 95 | Very high | 62 Ų | 62 | 61 Ų | 61 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.1 | 177.5 | -24.7 | 32.6 | 0 | 0 | 0 | 114.2 | M1 D21 L60 G61 | M1-P19 HydrophobicContact CE-CB 4.47Å; M1-P19 HydrophobicContact CE-CG 4.4Å; M1-P19 HydrophobicContact CG-CG 4.49Å; M1-P19 HydrophobicContact SD-CB 4.4Å; M1-P19 HydrophobicContact SD-CG 3.79Å; P19-D21 VanDerWaalsContact C-N 3.33Å; P19-L60 PolarHBondContact O-N 2.87Å; P19-G61 PolarHBondContact O-N 3.1Å |
| 20 | Q | 95.8 | Very high | 95.4 | Very high | 114 Ų | 114 | 55.6 Ų | 55.6 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -11.7 | 177.5 | 66 | -88.1 | 22.1 | 0 | 0 | 114 | Q18 | Q18-Q20 VanDerWaalsContact CB-CD 3.4Å; Q18-Q20 HydrophobicContact CB-CG 4.2Å; Q18-Q20 PolarHBondContact O-N 3.43Å |
| 21 | D | 97.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -62.5 | 147.9 | 176.7 | -67.6 | -13 | 0 | 0 | 0 | 109.2 | Q18 P19 Y25 T59 L60 | Q18-D21 PolarHBondContact N-OD2 3.33Å; Q18-D21 VanDerWaalsContact O-CB 3.28Å; Q18-D21 WeakPolarHBondContact O-CB 3.41Å; Q18-D21 PolarHBondContact O-N 3.42Å; P19-D21 VanDerWaalsContact C-N 3.33Å; D21-Y25 HydrophobicContact CB-CD1 3.73Å; D21-Y25 HydrophobicContact CB-CE1 4.36Å; D21-Y25 HydrophobicContact CB-CG 4.5Å; D21-Y25 WeakPolarHBondContact OD2-CE1 3.43Å; D21-T59 CarbonylContact O-C 3.56Å; D21-T59 VanDerWaalsContact O-CA 3.26Å; D21-T59 WeakPolarHBondContact O-CA 3.47Å; D21-L60 HydrophobicContact CB-CD1 4.26Å; D21-L60 WeakPolarHBondContact O-CG 3.42Å; D21-L60 PolarHBondContact O-N 3.01Å |
| 22 | T | 97.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -84.5 | 159.4 | 178.2 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | G24 Y25 L26 D56 Q58 | T22-G24 PolarHBondContact O-N 2.84Å; T22-Y25 WeakPolarHBondContact O-CB 3.36Å; T22-Y25 PolarHBondContact O-N 2.88Å; T22-Y25 PolarHBondContact OG1-N 2.71Å; T22-L26 PolarHBondContact O-N 2.91Å; T22-D56 VanDerWaalsContact CB-O 3.27Å; T22-D56 WeakPolarHBondContact CB-O 3.42Å; T22-D56 PolarHBondContact OG1-O 3.3Å; T22-Q58 CarbonylContact C-O 3.55Å; T22-Q58 VanDerWaalsContact CA-O 3.31Å; T22-Q58 WeakPolarHBondContact CA-O 3.46Å |
| 23 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 170.9 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | Y25 L26 K27 L53 N55 Q58 L60 Y63 | V23-Y25 VanDerWaalsContact C-N 3.33Å; V23-Y25 PolarHBondContact O-N 3.3Å; V23-L26 PolarHBondContact O-N 2.88Å; V23-K27 HydrophobicContact CG1-CD 4.42Å; V23-K27 WeakPolarHBondContact O-CG 3.43Å; V23-K27 PolarHBondContact O-N 3.04Å; V23-L53 HydrophobicContact CG1-CB 3.8Å; V23-L53 WeakPolarHBondContact CG1-O 3.26Å; V23-L53 HydrophobicContact CG2-CB 3.94Å; V23-L53 HydrophobicContact CG2-CD2 4.4Å; V23-N55 WeakPolarHBondContact CB-O 3.43Å; V23-Q58 PolarHBondContact N-O 3.11Å; V23-L60 HydrophobicContact CG2-CD2 4.05Å; V23-Y63 HydrophobicContact CG2-CD2 3.9Å; V23-Y63 HydrophobicContact CG2-CE2 3.55Å |
| 24 | G | 96.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | T22 K27 Q28 D56 | T22-G24 PolarHBondContact O-N 2.84Å; G24-K27 PolarHBondContact O-N 2.94Å; G24-Q28 PolarHBondContact O-N 3.47Å; G24-Q28 VanDerWaalsContact O-N 3.11Å; G24-D56 PolarHBondContact N-O 2.88Å |
| 25 | Y | 97.4 | Very high | 95.6 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 174.2 | 177.3 | -100.4 | 0 | 0 | 0 | 112 | D21 T22 V23 K27 Q28 V29 | D21-Y25 HydrophobicContact CB-CD1 3.73Å; D21-Y25 HydrophobicContact CB-CE1 4.36Å; D21-Y25 HydrophobicContact CB-CG 4.5Å; D21-Y25 WeakPolarHBondContact OD2-CE1 3.43Å; T22-Y25 WeakPolarHBondContact O-CB 3.36Å; T22-Y25 PolarHBondContact O-N 2.88Å; T22-Y25 PolarHBondContact OG1-N 2.71Å; V23-Y25 VanDerWaalsContact C-N 3.33Å; V23-Y25 PolarHBondContact O-N 3.3Å; Y25-K27 VanDerWaalsContact C-N 3.27Å; Y25-K27 PolarHBondContact O-N 2.96Å; Y25-Q28 WeakPolarHBondContact O-CB 3.33Å; Y25-Q28 PolarHBondContact O-N 2.85Å; Y25-Q28 VanDerWaalsContact O-N 3.1Å; Y25-V29 HydrophobicContact CD1-CG2 4.08Å; Y25-V29 HydrophobicContact CE1-CG2 3.62Å; Y25-V29 HydrophobicContact CE2-CG2 4.2Å; Y25-V29 WeakPolarHBondContact O-CG2 3.41Å; Y25-V29 PolarHBondContact O-N 2.95Å |
| 26 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 176 | 173.8 | 60.1 | 0 | 0 | 0 | 111.8 | I3 L15 V17 T22 V23 Q28 V29 I30 L43 L53 L60 | I3-L26 HydrophobicContact CD1-CD1 3.79Å; I3-L26 HydrophobicContact CD1-CD2 3.96Å; L15-L26 HydrophobicContact CD1-CD1 3.99Å; V17-L26 HydrophobicContact CG1-CD1 4.05Å; T22-L26 PolarHBondContact O-N 2.91Å; V23-L26 PolarHBondContact O-N 2.88Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 2.76Å; L26-V29 PolarHBondContact O-N 2.93Å; L26-I30 HydrophobicContact CD1-CD1 4.06Å; L26-I30 HydrophobicContact CD1-CG1 4.26Å; L26-I30 HydrophobicContact CG-CD1 4.02Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.36Å; L26-L43 HydrophobicContact CD2-CD1 4.03Å; L26-L43 HydrophobicContact CG-CD1 4.18Å; L26-L53 HydrophobicContact CD2-CD1 4.22Å; L26-L60 HydrophobicContact CB-CD1 4.3Å; L26-L60 HydrophobicContact CB-CD2 4.02Å; L26-L60 HydrophobicContact CD2-CD1 4.19Å; L26-L60 HydrophobicContact CD2-CD2 3.61Å; L26-L60 HydrophobicContact CG-CD2 4.46Å |
| 27 | K | 96.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.6 | -73.2 | 178.4 | 176.1 | 173.3 | 0 | 112.2 | V23 G24 Y25 I30 Q31 T38 Q41 L43 D56 | V23-K27 HydrophobicContact CG1-CD 4.42Å; V23-K27 WeakPolarHBondContact O-CG 3.43Å; V23-K27 PolarHBondContact O-N 3.04Å; G24-K27 PolarHBondContact O-N 2.94Å; Y25-K27 VanDerWaalsContact C-N 3.27Å; Y25-K27 PolarHBondContact O-N 2.96Å; K27-I30 PolarHBondContact O-N 2.93Å; K27-Q31 PolarHBondContact O-N 3.39Å; K27-T38 HydrophobicContact CB-CG2 3.83Å; K27-Q41 PolarHBondContact O-NE2 3.32Å; K27-Q41 PolarHBondContact O-OE1 2.89Å; K27-L43 HydrophobicContact CG-CD1 3.79Å; K27-D56 WeakPolarHBondContact CE-OD1 3.27Å; K27-D56 IonicContact NZ-OD1 2.82Å; K27-D56 PolarHBondContact NZ-OD1 3.5Å; K27-D56 IonicContact NZ-OD2 3.93Å |
| 28 | Q | 96.7 | Very high | 95.1 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.2 | -70.8 | 176.7 | -16.1 | 0 | 0 | 111.6 | G24 Y25 L26 I30 Q31 D32 T38 | G24-Q28 PolarHBondContact O-N 3.47Å; G24-Q28 VanDerWaalsContact O-N 3.11Å; Y25-Q28 WeakPolarHBondContact O-CB 3.33Å; Y25-Q28 PolarHBondContact O-N 2.85Å; Y25-Q28 VanDerWaalsContact O-N 3.1Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 2.76Å; Q28-I30 VanDerWaalsContact C-N 3.25Å; Q28-I30 PolarHBondContact O-N 3.38Å; Q28-Q31 WeakPolarHBondContact O-CA 3.44Å; Q28-Q31 WeakPolarHBondContact O-CB 3.43Å; Q28-Q31 PolarHBondContact O-N 3.42Å; Q28-D32 PolarHBondContact O-N 3.45Å; Q28-T38 HydrophobicContact CG-CG2 4.45Å |
| 29 | V | 96.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 176.5 | 175 | 0 | 0 | 0 | 0 | 111.6 | L15 Y25 L26 D32 K33 | L15-V29 HydrophobicContact CD1-CG1 4.16Å; L15-V29 HydrophobicContact CD2-CG1 4.31Å; Y25-V29 HydrophobicContact CD1-CG2 4.08Å; Y25-V29 HydrophobicContact CE1-CG2 3.62Å; Y25-V29 HydrophobicContact CE2-CG2 4.2Å; Y25-V29 WeakPolarHBondContact O-CG2 3.41Å; Y25-V29 PolarHBondContact O-N 2.95Å; L26-V29 PolarHBondContact O-N 2.93Å; V29-D32 PolarHBondContact O-N 3.05Å; V29-K33 HydrophobicContact CG1-CD 4.01Å; V29-K33 WeakPolarHBondContact O-CB 3.18Å; V29-K33 PolarHBondContact O-N 2.75Å |
| 30 | I | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175 | -70.9 | 169.6 | 0 | 0 | 0 | 111 | I5 L15 L26 K27 Q28 L34 Q41 L43 L73 | I5-I30 HydrophobicContact CD1-CD1 4.08Å; I5-I30 HydrophobicContact CG1-CD1 4.37Å; I5-I30 HydrophobicContact CG1-CG1 4.47Å; L15-I30 HydrophobicContact CD1-CD1 4.48Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L26-I30 HydrophobicContact CD1-CD1 4.06Å; L26-I30 HydrophobicContact CD1-CG1 4.26Å; L26-I30 HydrophobicContact CG-CD1 4.02Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.36Å; K27-I30 PolarHBondContact O-N 2.93Å; Q28-I30 VanDerWaalsContact C-N 3.25Å; Q28-I30 PolarHBondContact O-N 3.38Å; I30-L34 HydrophobicContact CG2-CB 4.44Å; I30-L34 HydrophobicContact CG2-CD1 3.92Å; I30-L34 HydrophobicContact CG2-CG 4.45Å; I30-L34 WeakPolarHBondContact O-CA 3.37Å; I30-L34 VanDerWaalsContact O-CB 3.24Å; I30-L34 WeakPolarHBondContact O-CB 3.25Å; I30-L34 PolarHBondContact O-N 2.89Å; I30-Q41 VanDerWaalsContact CG2-CD 3.47Å; I30-Q41 HydrophobicContact CG2-CG 4.21Å; I30-L43 HydrophobicContact CD1-CD1 3.85Å; I30-L43 HydrophobicContact CD1-CD2 3.58Å; I30-L43 HydrophobicContact CD1-CG 4.36Å; I30-L73 HydrophobicContact CG2-CD2 3.76Å |
| 31 | Q | 94.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.2 | 179.3 | -178.9 | 5.1 | 0 | 0 | 111.1 | K27 Q28 K33 G35 V36 T38 | K27-Q31 PolarHBondContact O-N 3.39Å; Q28-Q31 WeakPolarHBondContact O-CA 3.44Å; Q28-Q31 WeakPolarHBondContact O-CB 3.43Å; Q28-Q31 PolarHBondContact O-N 3.42Å; Q31-K33 PolarHBondContact O-N 3.5Å; Q31-G35 WeakPolarHBondContact O-CA 3.34Å; Q31-G35 PolarHBondContact O-N 3.02Å; Q31-V36 VanDerWaalsContact CA-O 3.25Å; Q31-V36 WeakPolarHBondContact CA-O 3.47Å; Q31-V36 WeakPolarHBondContact CB-O 3.46Å; Q31-T38 HydrophobicContact CB-CG2 4.31Å |
| 32 | D | 95.6 | Very high | 94.2 | Very high | 132 Ų | 132 | 55.8 Ų | 55.8 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | -177.1 | -67.6 | -20.7 | 0 | 0 | 0 | 112.5 | Q28 V29 | Q28-D32 PolarHBondContact O-N 3.45Å; V29-D32 PolarHBondContact O-N 3.05Å |
| 33 | K | 94 | Very high | 94.1 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 54% | 0.543 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -90.1 | -33.3 | -175.4 | -72.7 | -179.4 | 173.2 | -175.1 | 0 | 114.4 | L15 V29 Q31 | L15-K33 HydrophobicContact CD2-CD 3.34Å; V29-K33 HydrophobicContact CG1-CD 4.01Å; V29-K33 WeakPolarHBondContact O-CB 3.18Å; V29-K33 PolarHBondContact O-N 2.75Å; Q31-K33 PolarHBondContact O-N 3.5Å |
| 34 | L | 93 | Very high | 94 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -114 | -6.5 | -171.7 | -50.2 | 179.6 | 0 | 0 | 0 | 112.5 | I5 M7 H13 I30 V36 L73 | I5-L34 HydrophobicContact CG2-CD1 4.22Å; M7-L34 HydrophobicContact CE-CB 3.71Å; M7-L34 HydrophobicContact CE-CD1 3.4Å; M7-L34 HydrophobicContact CE-CD2 3.97Å; M7-L34 HydrophobicContact CE-CG 3.86Å; H13-L34 HydrophobicContact CB-CD2 4.11Å; I30-L34 HydrophobicContact CG2-CB 4.44Å; I30-L34 HydrophobicContact CG2-CD1 3.92Å; I30-L34 HydrophobicContact CG2-CG 4.45Å; I30-L34 WeakPolarHBondContact O-CA 3.37Å; I30-L34 VanDerWaalsContact O-CB 3.24Å; I30-L34 WeakPolarHBondContact O-CB 3.25Å; I30-L34 PolarHBondContact O-N 2.89Å; L34-V36 HydrophobicContact CB-CG2 4.33Å; L34-V36 PolarHBondContact O-N 2.93Å; L34-L73 HydrophobicContact CD1-CD2 4.09Å |
| 35 | G | 91.5 | Very high | 93.9 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 63% | 0.629 | 27% | 0.267 | S | S | * | . | trans | 70.2 | 14.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q31 P37 | Q31-G35 WeakPolarHBondContact O-CA 3.34Å; Q31-G35 PolarHBondContact O-N 3.02Å; G35-P37 WeakPolarHBondContact O-CD 3.45Å | ||
| 36 | V | 91.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | trans | -91.8 | 115.6 | 179.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | Q31 L34 R40 Q41 L73 V75 | Q31-V36 VanDerWaalsContact CA-O 3.25Å; Q31-V36 WeakPolarHBondContact CA-O 3.47Å; Q31-V36 WeakPolarHBondContact CB-O 3.46Å; L34-V36 HydrophobicContact CB-CG2 4.33Å; L34-V36 PolarHBondContact O-N 2.93Å; V36-R40 HydrophobicContact CG1-CB 4.17Å; V36-Q41 HydrophobicContact CB-CG 4.19Å; V36-Q41 HydrophobicContact CG1-CG 3.66Å; V36-Q41 PolarHBondContact O-NE2 3.27Å; V36-L73 HydrophobicContact CG2-CD2 4.36Å; V36-V75 HydrophobicContact CG1-CG1 4.16Å; V36-V75 HydrophobicContact CG1-CG2 4.03Å; V36-V75 HydrophobicContact CG2-CG2 4.14Å | ||
| 37 | P | 91.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | trans | -57 | 142.5 | 177.8 | -24 | 33.4 | 0 | 0 | 0 | 112.4 | G35 E39 R40 Q41 | G35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-E39 HydrophobicContact CB-CG 4.41Å; P37-E39 WeakPolarHBondContact CB-OE1 3.36Å; P37-E39 VanDerWaalsContact CB-OE2 3.26Å; P37-E39 WeakPolarHBondContact CB-OE2 3.43Å; P37-E39 PolarHBondContact O-N 2.96Å; P37-R40 HydrophobicContact CB-CG 4.36Å; P37-R40 WeakPolarHBondContact O-CA 3.44Å; P37-R40 WeakPolarHBondContact O-CB 3.35Å; P37-R40 PolarHBondContact O-N 3.33Å; P37-Q41 WeakPolarHBondContact O-CG 3.21Å; P37-Q41 PolarHBondContact O-N 2.97Å | ||
| 38 | T | 91.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -58 | -34.1 | -173.9 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | K27 Q28 Q31 R40 Q41 | K27-T38 HydrophobicContact CB-CG2 3.83Å; Q28-T38 HydrophobicContact CG-CG2 4.45Å; Q31-T38 HydrophobicContact CB-CG2 4.31Å; T38-R40 PolarHBondContact O-N 2.94Å; T38-Q41 PolarHBondContact O-N 3.25Å; T38-Q41 VanDerWaalsContact O-N 3.14Å |
| 39 | E | 86.3 | Confident | 90.7 | Very high | 118 Ų | 118 | 59.7 Ų | 59.7 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -69.2 | -15.3 | 176.3 | 70.2 | -82.4 | -167.8 | 0 | 0 | 114 | P37 P78 | P37-E39 HydrophobicContact CB-CG 4.41Å; P37-E39 WeakPolarHBondContact CB-OE1 3.36Å; P37-E39 VanDerWaalsContact CB-OE2 3.26Å; P37-E39 WeakPolarHBondContact CB-OE2 3.43Å; P37-E39 PolarHBondContact O-N 2.96Å; E39-P78 HydrophobicContact CG-CB 4.26Å; E39-P78 HydrophobicContact CG-CG 4.39Å |
| 40 | R | 90.3 | Very high | 90.3 | Very high | 75 Ų | 75 | 67.8 Ų | 67.8 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -100.2 | -0.8 | 175 | -63.4 | -175.1 | 69.1 | -164 | 8.4 | 112.6 | V36 P37 T38 V75 T76 E77 P78 | V36-R40 HydrophobicContact CG1-CB 4.17Å; P37-R40 HydrophobicContact CB-CG 4.36Å; P37-R40 WeakPolarHBondContact O-CA 3.44Å; P37-R40 WeakPolarHBondContact O-CB 3.35Å; P37-R40 PolarHBondContact O-N 3.33Å; T38-R40 PolarHBondContact O-N 2.94Å; R40-V75 HydrophobicContact CB-CG1 4.43Å; R40-V75 CarbonylContact O-C 3.53Å; R40-V75 WeakPolarHBondContact O-CA 3.27Å; R40-T76 WeakPolarHBondContact CA-O 3.41Å; R40-T76 WeakPolarHBondContact CB-O 3.28Å; R40-T76 WeakPolarHBondContact CG-O 3.44Å; R40-T76 PolarHBondContact NE-O 2.77Å; R40-T76 PolarHBondContact O-N 3.31Å; R40-T76 PolarHBondContact O-OG1 3.45Å; R40-E77 IonicContact CZ-OE1 3.49Å; R40-E77 IonicContact NE-OE1 3.84Å; R40-E77 IonicContact NH2-OE1 3.88Å; R40-E77 PolarHBondContact NH2-OE1 2.77Å; R40-P78 HydrophobicContact CG-CG 3.74Å |
| 41 | Q | 93.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 5% | 0.051 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 115.5 | -178 | -63 | 175.6 | 33.8 | 0 | 0 | 110.8 | K27 I30 V36 P37 T38 L73 | K27-Q41 PolarHBondContact O-NE2 3.32Å; K27-Q41 PolarHBondContact O-OE1 2.89Å; I30-Q41 VanDerWaalsContact CG2-CD 3.47Å; I30-Q41 HydrophobicContact CG2-CG 4.21Å; V36-Q41 HydrophobicContact CB-CG 4.19Å; V36-Q41 HydrophobicContact CG1-CG 3.66Å; V36-Q41 PolarHBondContact O-NE2 3.27Å; P37-Q41 WeakPolarHBondContact O-CG 3.21Å; P37-Q41 PolarHBondContact O-N 2.97Å; T38-Q41 PolarHBondContact O-N 3.25Å; T38-Q41 VanDerWaalsContact O-N 3.14Å; Q41-L73 HydrophobicContact CB-CD1 3.87Å; Q41-L73 HydrophobicContact CG-CD1 3.89Å |
| 42 | R | 94.1 | Very high | 90.2 | Very high | 125 Ų | 125 | 69.2 Ų | 69.2 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115.7 | 160.3 | -179.1 | 179.7 | -176.7 | 170.3 | 4.1 | 108.9 | V44 D52 L74 T76 | R42-V44 HydrophobicContact CG-CG2 4.43Å; R42-D52 IonicContact CZ-OD1 3.07Å; R42-D52 IonicContact CZ-OD2 2.77Å; R42-D52 IonicContact NE-OD1 2.83Å; R42-D52 PolarHBondContact NE-OD1 2.74Å; R42-D52 IonicContact NE-OD2 3.69Å; R42-D52 IonicContact NH2-OD1 3.37Å; R42-D52 PolarHBondContact NH2-OD1 3.28Å; R42-D52 VanDerWaalsContact NH2-OD1 3.11Å; R42-D52 IonicContact NH2-OD2 2.75Å; R42-D52 PolarHBondContact NH2-OD2 3.38Å; R42-L74 HydrophobicContact CB-CB 4.22Å; R42-L74 HydrophobicContact CG-CD1 4.35Å; R42-L74 PolarHBondContact N-O 3.16Å; R42-L74 PolarHBondContact O-N 3.24Å; R42-T76 HydrophobicContact CB-CG2 3.91Å |
| 43 | L | 95.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.8 | -178.2 | -56.6 | 179.6 | 0 | 0 | 0 | 109.6 | L26 K27 I30 L53 V71 S72 L73 | L26-L43 HydrophobicContact CD2-CD1 4.03Å; L26-L43 HydrophobicContact CG-CD1 4.18Å; K27-L43 HydrophobicContact CG-CD1 3.79Å; I30-L43 HydrophobicContact CD1-CD1 3.85Å; I30-L43 HydrophobicContact CD1-CD2 3.58Å; I30-L43 HydrophobicContact CD1-CG 4.36Å; L43-L53 HydrophobicContact CB-CB 4.03Å; L43-L53 HydrophobicContact CB-CD1 3.92Å; L43-L53 HydrophobicContact CB-CG 4.21Å; L43-L53 HydrophobicContact CD1-CD1 4.29Å; L43-L53 PolarHBondContact O-N 2.84Å; L43-V71 HydrophobicContact CB-CG1 3.89Å; L43-V71 HydrophobicContact CD2-CG1 4.29Å; L43-S72 WeakPolarHBondContact CA-O 3.27Å; L43-L73 HydrophobicContact CD2-CB 4.1Å; L43-L73 HydrophobicContact CD2-CD1 3.57Å; L43-L73 HydrophobicContact CD2-CG 4.38Å |
| 44 | V | 95.6 | Very high | 90 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.3 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | R42 R50 T51 D52 V71 S72 L74 | R42-V44 HydrophobicContact CG-CG2 4.43Å; V44-R50 HydrophobicContact CG1-CB 3.98Å; V44-R50 HydrophobicContact CG1-CG 4.29Å; V44-T51 WeakPolarHBondContact CA-O 3.46Å; V44-D52 WeakPolarHBondContact CG2-OD1 3.43Å; V44-V71 CarbonylContact O-C 3.57Å; V44-V71 WeakPolarHBondContact O-CA 3.44Å; V44-S72 PolarHBondContact N-O 3.22Å; V44-S72 PolarHBondContact O-N 3.28Å; V44-L74 HydrophobicContact CB-CD1 4.4Å; V44-L74 HydrophobicContact CG2-CD1 3.59Å |
| 45 | V | 94 | Very high | 90 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.2 | 171.2 | 67.1 | 0 | 0 | 0 | 0 | 109.5 | N47 R50 T51 L53 L65 V71 | V45-N47 WeakPolarHBondContact CG2-OD1 3.2Å; V45-R50 WeakPolarHBondContact O-CA 3.26Å; V45-T51 PolarHBondContact N-O 3.19Å; V45-T51 PolarHBondContact O-N 3.42Å; V45-L53 HydrophobicContact CG1-CD2 4.16Å; V45-L65 HydrophobicContact CB-CD1 4.05Å; V45-L65 HydrophobicContact CG1-CD1 4.14Å; V45-L65 HydrophobicContact CG2-CD1 3.84Å; V45-L65 HydrophobicContact CG2-CG 4.13Å; V45-V71 HydrophobicContact CB-CG2 4.43Å; V45-V71 HydrophobicContact CG2-CG2 4.4Å |
| 46 | D | 83.3 | Confident | 90.1 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 91.2 | 173.9 | -164.5 | -13.8 | 0 | 0 | 0 | 109.3 | G48 R50 | D46-G48 PolarHBondContact OD1-N 2.83Å; D46-R50 IonicContact OD2-NE 3.89Å |
| 47 | N | 78.4 | Confident | 90.4 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -107.5 | 35.2 | 178.2 | -75 | -12.9 | 0 | 0 | 0 | 110.8 | V45 H49 Y63 G64 | V45-N47 WeakPolarHBondContact CG2-OD1 3.2Å; N47-H49 VanDerWaalsContact C-N 3.31Å; N47-H49 PolarHBondContact N-O 3.45Å; N47-Y63 PolarHBondContact ND2-O 3.27Å; N47-G64 PolarHBondContact ND2-O 3.17Å |
| 48 | G | 76.8 | Confident | 90.7 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 81% | 0.814 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 92.7 | -16.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D46 | D46-G48 PolarHBondContact OD1-N 2.83Š|
| 49 | H | 82.3 | Confident | 91 | Very high | 145 Ų | 145 | 70.5 Ų | 70.5 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -134.1 | 140.8 | 161.7 | -171.6 | 72.9 | 0 | 0 | 0 | 108.4 | N47 T51 | N47-H49 VanDerWaalsContact C-N 3.31Å; N47-H49 PolarHBondContact N-O 3.45Å; H49-T51 PolarHBondContact O-N 3.01Å |
| 50 | R | 87.8 | Confident | 91.4 | Very high | 185 Ų | 185 | 64.9 Ų | 64.9 | 70% | 0.698 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.4 | 177.4 | -75.6 | -175 | 177.7 | 177.4 | -0.9 | 109.8 | V44 V45 D46 | V44-R50 HydrophobicContact CG1-CB 3.98Å; V44-R50 HydrophobicContact CG1-CG 4.29Å; V45-R50 WeakPolarHBondContact O-CA 3.26Å; D46-R50 IonicContact OD2-NE 3.89Å |
| 51 | T | 93.4 | Very high | 91.6 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.3 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | V44 V45 H49 Y63 | V44-T51 WeakPolarHBondContact CA-O 3.46Å; V45-T51 PolarHBondContact N-O 3.19Å; V45-T51 PolarHBondContact O-N 3.42Å; H49-T51 PolarHBondContact O-N 3.01Å; T51-Y63 HydrophobicContact CG2-CD1 3.73Å; T51-Y63 HydrophobicContact CG2-CE1 3.95Å |
| 52 | D | 94.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 68.2 Ų | 68.2 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.9 | 172.3 | -76.5 | -61.9 | 0 | 0 | 0 | 110 | R42 V44 N54 | R42-D52 IonicContact CZ-OD1 3.07Å; R42-D52 IonicContact CZ-OD2 2.77Å; R42-D52 IonicContact NE-OD1 2.83Å; R42-D52 PolarHBondContact NE-OD1 2.74Å; R42-D52 IonicContact NE-OD2 3.69Å; R42-D52 IonicContact NH2-OD1 3.37Å; R42-D52 PolarHBondContact NH2-OD1 3.28Å; R42-D52 VanDerWaalsContact NH2-OD1 3.11Å; R42-D52 IonicContact NH2-OD2 2.75Å; R42-D52 PolarHBondContact NH2-OD2 3.38Å; V44-D52 WeakPolarHBondContact CG2-OD1 3.43Å; D52-N54 VanDerWaalsContact C-N 3.25Å; D52-N54 HydrophobicContact CB-CB 4.4Å; D52-N54 PolarHBondContact O-N 3.2Å |
| 53 | L | 94.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | trans | -80.7 | 75.8 | 170.1 | -54.3 | -179.4 | 0 | 0 | 0 | 109 | V23 L26 L43 V45 Y63 L65 V71 | V23-L53 HydrophobicContact CG1-CB 3.8Å; V23-L53 WeakPolarHBondContact CG1-O 3.26Å; V23-L53 HydrophobicContact CG2-CB 3.94Å; V23-L53 HydrophobicContact CG2-CD2 4.4Å; L26-L53 HydrophobicContact CD2-CD1 4.22Å; L43-L53 HydrophobicContact CB-CB 4.03Å; L43-L53 HydrophobicContact CB-CD1 3.92Å; L43-L53 HydrophobicContact CB-CG 4.21Å; L43-L53 HydrophobicContact CD1-CD1 4.29Å; L43-L53 PolarHBondContact O-N 2.84Å; V45-L53 HydrophobicContact CG1-CD2 4.16Å; L53-Y63 HydrophobicContact CD2-CD1 3.54Å; L53-Y63 HydrophobicContact CD2-CD2 3.48Å; L53-Y63 VanDerWaalsContact CD2-CD2 3.48Å; L53-Y63 HydrophobicContact CD2-CE1 4.02Å; L53-Y63 HydrophobicContact CD2-CE2 3.96Å; L53-Y63 HydrophobicContact CD2-CG 3.23Å; L53-L65 HydrophobicContact CD1-CD2 4.46Å; L53-L65 HydrophobicContact CD2-CD1 4.12Å; L53-V71 HydrophobicContact CD1-CG1 4.21Å | ||
| 54 | N | 90.9 | Very high | 91.5 | Very high | 126 Ų | 126 | 65.4 Ų | 65.4 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | trans | -98.5 | -8.7 | -170.3 | 64 | 0.4 | 0 | 0 | 0 | 114.9 | D52 Y63 | D52-N54 VanDerWaalsContact C-N 3.25Å; D52-N54 HydrophobicContact CB-CB 4.4Å; D52-N54 PolarHBondContact O-N 3.2Å; N54-Y63 PolarHBondContact OD1-OH 3.33Å | ||
| 55 | N | 93.6 | Very high | 91.4 | Very high | 74 Ų | 74 | 65 Ų | 65 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | trans | -111.4 | 103.7 | 179.8 | -176.7 | -10.1 | 0 | 0 | 0 | 110.8 | V23 S57 Q58 Y63 | V23-N55 WeakPolarHBondContact CB-O 3.43Å; N55-S57 PolarHBondContact O-N 3.4Å; N55-S57 PolarHBondContact OD1-N 3.4Å; N55-S57 VanDerWaalsContact OD1-N 3.09Å; N55-Q58 HydrophobicContact CB-CB 3.89Å; N55-Q58 WeakPolarHBondContact O-CB 3.38Å; N55-Q58 PolarHBondContact O-N 2.83Å; N55-Y63 WeakPolarHBondContact CB-OH 3.49Å; N55-Y63 PolarHBondContact N-OH 2.94Å | ||
| 56 | D | 94.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 70.2 Ų | 70.2 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.9 | -175.7 | -73.2 | 2.2 | 0 | 0 | 0 | 114 | T22 G24 K27 | T22-D56 VanDerWaalsContact CB-O 3.27Å; T22-D56 WeakPolarHBondContact CB-O 3.42Å; T22-D56 PolarHBondContact OG1-O 3.3Å; G24-D56 PolarHBondContact N-O 2.88Å; K27-D56 WeakPolarHBondContact CE-OD1 3.27Å; K27-D56 IonicContact NZ-OD1 2.82Å; K27-D56 PolarHBondContact NZ-OD1 3.5Å; K27-D56 IonicContact NZ-OD2 3.93Å |
| 57 | S | 96.5 | Very high | 91.8 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 71% | 0.713 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.9 | 177 | -58 | 0 | 0 | 0 | 0 | 113 | N55 | N55-S57 PolarHBondContact O-N 3.4Å; N55-S57 PolarHBondContact OD1-N 3.4Å; N55-S57 VanDerWaalsContact OD1-N 3.09Å |
| 58 | Q | 97.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 69.2 Ų | 69.2 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -84.3 | 146.7 | -178.5 | -175.6 | 59.2 | -87.4 | 0 | 0 | 111 | T22 V23 N55 H62 Y63 | T22-Q58 CarbonylContact C-O 3.55Å; T22-Q58 VanDerWaalsContact CA-O 3.31Å; T22-Q58 WeakPolarHBondContact CA-O 3.46Å; V23-Q58 PolarHBondContact N-O 3.11Å; N55-Q58 HydrophobicContact CB-CB 3.89Å; N55-Q58 WeakPolarHBondContact O-CB 3.38Å; N55-Q58 PolarHBondContact O-N 2.83Å; Q58-H62 HydrophobicContact CG-CB 3.69Å; Q58-H62 WeakPolarHBondContact CG-CD2 3.44Å; Q58-H62 PolarHBondContact NE2-CD2 3.3Å; Q58-H62 VanDerWaalsContact NE2-CD2 3.31Å; Q58-H62 PolarHBondContact NE2-CE1 3.45Å; Q58-H62 VanDerWaalsContact NE2-CG 3.34Å; Q58-H62 PolarHBondContact NE2-ND1 3.14Å; Q58-H62 PolarHBondContact NE2-NE2 3.19Å; Q58-Y63 HydrophobicContact CB-CE2 3.75Å; Q58-Y63 HydrophobicContact CG-CD2 3.99Å; Q58-Y63 HydrophobicContact CG-CE2 3.49Å; Q58-Y63 VanDerWaalsContact CG-CE2 3.49Å |
| 59 | T | 97.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 152.1 | -178.7 | 63 | 0 | 0 | 0 | 0 | 112.4 | D21 G61 H62 Y63 | D21-T59 CarbonylContact O-C 3.56Å; D21-T59 VanDerWaalsContact O-CA 3.26Å; D21-T59 WeakPolarHBondContact O-CA 3.47Å; T59-G61 VanDerWaalsContact C-N 3.27Å; T59-G61 PolarHBondContact O-N 3.31Å; T59-H62 WeakPolarHBondContact O-CB 3.31Å; T59-H62 PolarHBondContact O-N 2.82Å; T59-H62 WeakPolarHBondContact OG1-CB 3.42Å; T59-H62 PolarHBondContact OG1-N 3.11Å; T59-Y63 WeakPolarHBondContact O-CD2 3.4Å |
| 60 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.5 | 175 | -60.8 | -175.1 | 0 | 0 | 0 | 111.7 | M1 V17 P19 D21 V23 L26 H62 Y63 G64 L65 | M1-L60 HydrophobicContact CE-CB 3.97Å; M1-L60 HydrophobicContact CE-CD1 4.2Å; V17-L60 HydrophobicContact CB-CD1 3.95Å; V17-L60 HydrophobicContact CG1-CD1 4.5Å; V17-L60 HydrophobicContact CG2-CD1 3.55Å; P19-L60 PolarHBondContact O-N 2.87Å; D21-L60 HydrophobicContact CB-CD1 4.26Å; D21-L60 WeakPolarHBondContact O-CG 3.42Å; D21-L60 PolarHBondContact O-N 3.01Å; V23-L60 HydrophobicContact CG2-CD2 4.05Å; L26-L60 HydrophobicContact CB-CD1 4.3Å; L26-L60 HydrophobicContact CB-CD2 4.02Å; L26-L60 HydrophobicContact CD2-CD1 4.19Å; L26-L60 HydrophobicContact CD2-CD2 3.61Å; L26-L60 HydrophobicContact CG-CD2 4.46Å; L60-H62 VanDerWaalsContact C-N 3.3Å; L60-H62 PolarHBondContact O-N 2.94Å; L60-Y63 PolarHBondContact O-N 3.32Å; L60-G64 PolarHBondContact O-N 3.39Å; L60-L65 HydrophobicContact CB-CB 4.18Å; L60-L65 HydrophobicContact CB-CD2 4.27Å; L60-L65 HydrophobicContact CD2-CD2 4.2Å; L60-L65 WeakPolarHBondContact O-CB 3.41Å; L60-L65 PolarHBondContact O-N 2.86Å; L60-L65 VanDerWaalsContact O-N 3.11Å |
| 61 | G | 94.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P19 T59 Y63 G64 | P19-G61 PolarHBondContact O-N 3.1Å; T59-G61 VanDerWaalsContact C-N 3.27Å; T59-G61 PolarHBondContact O-N 3.31Å; G61-Y63 VanDerWaalsContact C-N 3.28Å; G61-Y63 PolarHBondContact O-N 3.11Å; G61-G64 WeakPolarHBondContact O-CA 3.46Å; G61-G64 PolarHBondContact O-N 3.44Å |
| 62 | H | 94.5 | Very high | 94.2 | Very high | 124 Ų | 124 | 51.9 Ų | 51.9 | 57% | 0.574 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.9 | 174.9 | 176.4 | 89 | 0 | 0 | 0 | 112.6 | Q58 T59 L60 G64 | Q58-H62 HydrophobicContact CG-CB 3.69Å; Q58-H62 WeakPolarHBondContact CG-CD2 3.44Å; Q58-H62 PolarHBondContact NE2-CD2 3.3Å; Q58-H62 VanDerWaalsContact NE2-CD2 3.31Å; Q58-H62 PolarHBondContact NE2-CE1 3.45Å; Q58-H62 VanDerWaalsContact NE2-CG 3.34Å; Q58-H62 PolarHBondContact NE2-ND1 3.14Å; Q58-H62 PolarHBondContact NE2-NE2 3.19Å; T59-H62 WeakPolarHBondContact O-CB 3.31Å; T59-H62 PolarHBondContact O-N 2.82Å; T59-H62 WeakPolarHBondContact OG1-CB 3.42Å; T59-H62 PolarHBondContact OG1-N 3.11Å; L60-H62 VanDerWaalsContact C-N 3.3Å; L60-H62 PolarHBondContact O-N 2.94Å; H62-G64 PolarHBondContact O-N 3.18Å |
| 63 | Y | 93.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.1 | 174 | -70.8 | -79.1 | 0 | 0 | 0 | 113 | V23 N47 T51 L53 N54 N55 Q58 T59 L60 G61 L65 | V23-Y63 HydrophobicContact CG2-CD2 3.9Å; V23-Y63 HydrophobicContact CG2-CE2 3.55Å; N47-Y63 PolarHBondContact ND2-O 3.27Å; T51-Y63 HydrophobicContact CG2-CD1 3.73Å; T51-Y63 HydrophobicContact CG2-CE1 3.95Å; L53-Y63 HydrophobicContact CD2-CD1 3.54Å; L53-Y63 HydrophobicContact CD2-CD2 3.48Å; L53-Y63 VanDerWaalsContact CD2-CD2 3.48Å; L53-Y63 HydrophobicContact CD2-CE1 4.02Å; L53-Y63 HydrophobicContact CD2-CE2 3.96Å; L53-Y63 HydrophobicContact CD2-CG 3.23Å; N54-Y63 PolarHBondContact OD1-OH 3.33Å; N55-Y63 WeakPolarHBondContact CB-OH 3.49Å; N55-Y63 PolarHBondContact N-OH 2.94Å; Q58-Y63 HydrophobicContact CB-CE2 3.75Å; Q58-Y63 HydrophobicContact CG-CD2 3.99Å; Q58-Y63 HydrophobicContact CG-CE2 3.49Å; Q58-Y63 VanDerWaalsContact CG-CE2 3.49Å; T59-Y63 WeakPolarHBondContact O-CD2 3.4Å; L60-Y63 PolarHBondContact O-N 3.32Å; G61-Y63 VanDerWaalsContact C-N 3.28Å; G61-Y63 PolarHBondContact O-N 3.11Å; Y63-L65 VanDerWaalsContact C-N 3.34Å |
| 64 | G | 92.5 | Very high | 94.1 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 21.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N47 L60 G61 H62 H66 | N47-G64 PolarHBondContact ND2-O 3.17Å; L60-G64 PolarHBondContact O-N 3.39Å; G61-G64 WeakPolarHBondContact O-CA 3.46Å; G61-G64 PolarHBondContact O-N 3.44Å; H62-G64 PolarHBondContact O-N 3.18Å; G64-H66 PolarHBondContact O-CD2 3.36Å; G64-H66 PolarHBondContact O-N 2.96Å |
| 65 | L | 93.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | trans | -71.5 | 131 | 173.8 | -79.6 | 72.7 | 0 | 0 | 0 | 109.5 | M1 I3 V45 L53 L60 Y63 V71 | M1-L65 HydrophobicContact CE-CB 3.89Å; I3-L65 HydrophobicContact CD1-CD2 4.2Å; I3-L65 HydrophobicContact CG2-CD2 4.5Å; V45-L65 HydrophobicContact CB-CD1 4.05Å; V45-L65 HydrophobicContact CG1-CD1 4.14Å; V45-L65 HydrophobicContact CG2-CD1 3.84Å; V45-L65 HydrophobicContact CG2-CG 4.13Å; L53-L65 HydrophobicContact CD1-CD2 4.46Å; L53-L65 HydrophobicContact CD2-CD1 4.12Å; L60-L65 HydrophobicContact CB-CB 4.18Å; L60-L65 HydrophobicContact CB-CD2 4.27Å; L60-L65 HydrophobicContact CD2-CD2 4.2Å; L60-L65 WeakPolarHBondContact O-CB 3.41Å; L60-L65 PolarHBondContact O-N 2.86Å; L60-L65 VanDerWaalsContact O-N 3.11Å; Y63-L65 VanDerWaalsContact C-N 3.34Å; L65-V71 HydrophobicContact CD2-CG2 3.71Å; L65-V71 HydrophobicContact CG-CG2 4.44Å | ||
| 66 | H | 92.4 | Very high | 93.7 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 51% | 0.514 | 29% | 0.293 | S | S | . | . | trans | -133.2 | 177.8 | 174.9 | 54.8 | 74.6 | 0 | 0 | 0 | 109.7 | G64 G68 S69 | G64-H66 PolarHBondContact O-CD2 3.36Å; G64-H66 PolarHBondContact O-N 2.96Å; H66-G68 PolarHBondContact O-N 2.69Å; H66-S69 PolarHBondContact CE1-OG 2.88Å; H66-S69 PolarHBondContact N-OG 3.18Å; H66-S69 PolarHBondContact ND1-OG 3.24Å; H66-S69 VanDerWaalsContact O-CB 3.27Å; H66-S69 WeakPolarHBondContact O-CB 3.42Å; H66-S69 PolarHBondContact O-N 2.69Å; H66-S69 PolarHBondContact O-OG 3.03Å; H66-S69 VanDerWaalsContact O-OG 3.04Å | ||
| 67 | S | 93.7 | Very high | 93 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 133.7 | 175.9 | -150.3 | 0 | 0 | 0 | 0 | 110.1 | D2 S69 | D2-S67 PolarHBondContact N-OG 3.03Å; D2-S67 CarbonylContact O-C 3.57Å; D2-S67 WeakPolarHBondContact O-CA 3.49Å; S67-S69 VanDerWaalsContact C-N 3.33Å |
| 68 | G | 90.6 | Very high | 91.5 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -7.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D2 H66 | D2-G68 PolarHBondContact O-N 2.95Å; H66-G68 PolarHBondContact O-N 2.69Å |
| 69 | S | 92.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | trans | -59.6 | 141 | 177.5 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | I4 H66 S67 | I4-S69 PolarHBondContact N-O 3.47Å; H66-S69 PolarHBondContact CE1-OG 2.88Å; H66-S69 PolarHBondContact N-OG 3.18Å; H66-S69 PolarHBondContact ND1-OG 3.24Å; H66-S69 VanDerWaalsContact O-CB 3.27Å; H66-S69 WeakPolarHBondContact O-CB 3.42Å; H66-S69 PolarHBondContact O-N 2.69Å; H66-S69 PolarHBondContact O-OG 3.03Å; H66-S69 VanDerWaalsContact O-OG 3.04Å; S67-S69 VanDerWaalsContact C-N 3.33Å | ||
| 70 | T | 93.6 | Very high | 87.9 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.9 | 178.7 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | I4 I6 | I4-T70 HydrophobicContact CB-CG2 4.13Å; I4-T70 HydrophobicContact CD1-CG2 4.32Å; I4-T70 HydrophobicContact CG2-CG2 4.49Å; I4-T70 CarbonylContact O-C 3.57Å; I4-T70 WeakPolarHBondContact O-CA 3.26Å; I6-T70 HydrophobicContact CD1-CG2 4.06Å |
| 71 | V | 95.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | I3 I4 I5 I6 L43 V44 V45 L53 L65 | I3-V71 HydrophobicContact CD1-CG2 4.43Å; I4-V71 PolarHBondContact O-N 2.85Å; I5-V71 CarbonylContact C-O 3.57Å; I5-V71 WeakPolarHBondContact CA-O 3.34Å; I5-V71 HydrophobicContact CD1-CB 3.82Å; I5-V71 HydrophobicContact CD1-CG1 4.27Å; I5-V71 HydrophobicContact CD1-CG2 4.46Å; I6-V71 PolarHBondContact N-O 3.48Å; L43-V71 HydrophobicContact CB-CG1 3.89Å; L43-V71 HydrophobicContact CD2-CG1 4.29Å; V44-V71 CarbonylContact O-C 3.57Å; V44-V71 WeakPolarHBondContact O-CA 3.44Å; V45-V71 HydrophobicContact CB-CG2 4.43Å; V45-V71 HydrophobicContact CG2-CG2 4.4Å; L53-V71 HydrophobicContact CD1-CG1 4.21Å; L65-V71 HydrophobicContact CD2-CG2 3.71Å; L65-V71 HydrophobicContact CG-CG2 4.44Å |
| 72 | S | 95.6 | Very high | 85.2 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 125 | 171.9 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | I6 L43 V44 | I6-S72 CarbonylContact O-C 3.55Å; I6-S72 WeakPolarHBondContact O-CA 3.47Å; L43-S72 WeakPolarHBondContact CA-O 3.27Å; V44-S72 PolarHBondContact N-O 3.22Å; V44-S72 PolarHBondContact O-N 3.28Å |
| 73 | L | 95.2 | Very high | 84.6 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111 | 171.2 | 169.8 | 61 | 0 | 0 | 0 | 109 | I5 I6 M7 I30 L34 V36 Q41 L43 | I5-L73 HydrophobicContact CG2-CB 3.66Å; I5-L73 HydrophobicContact CG2-CD2 4.14Å; I6-L73 PolarHBondContact O-N 2.94Å; M7-L73 HydrophobicContact CE-CD2 4.23Å; M7-L73 HydrophobicContact CG-CD2 4.42Å; I30-L73 HydrophobicContact CG2-CD2 3.76Å; L34-L73 HydrophobicContact CD1-CD2 4.09Å; V36-L73 HydrophobicContact CG2-CD2 4.36Å; Q41-L73 HydrophobicContact CB-CD1 3.87Å; Q41-L73 HydrophobicContact CG-CD1 3.89Å; L43-L73 HydrophobicContact CD2-CB 4.1Å; L43-L73 HydrophobicContact CD2-CD1 3.57Å; L43-L73 HydrophobicContact CD2-CG 4.38Å |
| 74 | L | 92.7 | Very high | 84.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.2 | 167.3 | -55.7 | 96.1 | 0 | 0 | 0 | 108.2 | L8 R42 V44 T76 | L8-L74 HydrophobicContact CD2-CD2 4.31Å; L8-L74 HydrophobicContact CD2-CG 4.25Å; R42-L74 HydrophobicContact CB-CB 4.22Å; R42-L74 HydrophobicContact CG-CD1 4.35Å; R42-L74 PolarHBondContact N-O 3.16Å; R42-L74 PolarHBondContact O-N 3.24Å; V44-L74 HydrophobicContact CB-CD1 4.4Å; V44-L74 HydrophobicContact CG2-CD1 3.59Å; L74-T76 PolarHBondContact O-N 3.42Å |
| 75 | V | 90.6 | Very high | 84.6 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 105.3 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | V36 R40 | V36-V75 HydrophobicContact CG1-CG1 4.16Å; V36-V75 HydrophobicContact CG1-CG2 4.03Å; V36-V75 HydrophobicContact CG2-CG2 4.14Å; R40-V75 HydrophobicContact CB-CG1 4.43Å; R40-V75 CarbonylContact O-C 3.53Å; R40-V75 WeakPolarHBondContact O-CA 3.27Å |
| 76 | T | 85.6 | Confident | 84.8 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 31% | 0.307 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 151.9 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 109.7 | R40 R42 L74 | R40-T76 WeakPolarHBondContact CA-O 3.41Å; R40-T76 WeakPolarHBondContact CB-O 3.28Å; R40-T76 WeakPolarHBondContact CG-O 3.44Å; R40-T76 PolarHBondContact NE-O 2.77Å; R40-T76 PolarHBondContact O-N 3.31Å; R40-T76 PolarHBondContact O-OG1 3.45Å; R42-T76 HydrophobicContact CB-CG2 3.91Å; L74-T76 PolarHBondContact O-N 3.42Å |
| 77 | E | 79 | Confident | 85.1 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 139.2 | 160.1 | -71.7 | -56.2 | 120 | 0 | 0 | 108 | R40 I79 | R40-E77 IonicContact CZ-OE1 3.49Å; R40-E77 IonicContact NE-OE1 3.84Å; R40-E77 IonicContact NH2-OE1 3.88Å; R40-E77 PolarHBondContact NH2-OE1 2.77Å; E77-I79 PolarHBondContact O-N 3.41Å |
| 78 | P | 65 | Low | 85.3 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 25% | 0.247 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 137.5 | 172.8 | -11.6 | 22.3 | 0 | 0 | 0 | 106.9 | E39 R40 R80 | E39-P78 HydrophobicContact CG-CB 4.26Å; E39-P78 HydrophobicContact CG-CG 4.39Å; R40-P78 HydrophobicContact CG-CG 3.74Å; P78-R80 PolarHBondContact O-N 3.09Å |
| 79 | I | 58.8 | Low | 85.6 | Confident | 162 Ų | 162 | 61.4 Ų | 61.4 | 83% | 0.831 | 33% | 0.325 | S | S | * | . | trans | -63.6 | 90.4 | 163.5 | -60 | 167.7 | 0 | 0 | 0 | 104.3 | E77 P81 | E77-I79 PolarHBondContact O-N 3.41Å; I79-P81 WeakPolarHBondContact O-CD 3.06Å; I79-P81 VanDerWaalsContact O-N 3.12Å | ||
| 80 | R | 60.6 | Low | 85.7 | Confident | 186 Ų | 186 | 62.5 Ų | 62.5 | 70% | 0.702 | 33% | 0.331 | S | S | * | . | trans | -56.2 | 122.6 | 164.9 | -63.9 | -177.1 | -167.7 | -117.4 | -0 | 103.1 | P78 A82 | P78-R80 PolarHBondContact O-N 3.09Å; R80-A82 PolarHBondContact O-N 2.97Å | ||
| 81 | P | 63.5 | Low | 85.5 | Confident | 69 Ų | 69 | 65 Ų | 65 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | trans | -49 | 123.3 | 171.5 | 18.8 | -28.9 | 0 | 0 | 0 | 105.5 | I79 C83 T101 | I79-P81 WeakPolarHBondContact O-CD 3.06Å; I79-P81 VanDerWaalsContact O-N 3.12Å; P81-C83 PolarHBondContact O-N 3.3Å; P81-T101 HydrophobicContact CB-CG2 4.33Å; P81-T101 HydrophobicContact CG-CG2 3.73Å | ||
| 82 | A | 68.9 | Low | 85.3 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | trans | -50.6 | 107.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | R80 I84 | R80-A82 PolarHBondContact O-N 2.97Å; A82-I84 PolarHBondContact O-N 3.32Å | ||
| 83 | C | 82.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 47% | 0.473 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 129 | -179.2 | -64.5 | 0 | 0 | 0 | 0 | 106.5 | P81 D99 I100 | P81-C83 PolarHBondContact O-N 3.3Å; C83-D99 HydrophobicContact CB-CB 4.1Å; C83-I100 CarbonylContact C-O 3.57Å; C83-I100 VanDerWaalsContact CA-O 3.24Å; C83-I100 WeakPolarHBondContact CA-O 3.26Å |
| 84 | I | 91.9 | Very high | 85.2 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 142.2 | 172.3 | 61.2 | 178 | 0 | 0 | 0 | 108.1 | A82 I100 A145 | A82-I84 PolarHBondContact O-N 3.32Å; I84-I100 HydrophobicContact CD1-CD1 4.1Å; I84-I100 HydrophobicContact CD1-CG1 4.17Å; I84-I100 HydrophobicContact CG1-CD1 4.05Å; I84-I100 HydrophobicContact CG1-CG1 3.56Å; I84-I100 PolarHBondContact N-O 3.34Å; I84-I100 WeakPolarHBondContact O-CG1 3.43Å; I84-I100 PolarHBondContact O-N 2.72Å; I84-A145 HydrophobicContact CB-CB 4.02Å; I84-A145 HydrophobicContact CG2-CB 4.22Å |
| 85 | Q | 95.1 | Very high | 85.4 | Confident | 94 Ų | 94 | 81 Ų | 81 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136.4 | 174.5 | -77.8 | -179 | -16.1 | 0 | 0 | 110.1 | T97 Y98 D99 A145 L146 | Q85-T97 HydrophobicContact CB-CG2 4.19Å; Q85-T97 HydrophobicContact CG-CG2 4.1Å; Q85-Y98 CarbonylContact C-O 3.58Å; Q85-Y98 WeakPolarHBondContact CA-O 3.17Å; Q85-D99 WeakPolarHBondContact CG-OD1 3.38Å; Q85-D99 PolarHBondContact NE2-OD1 2.82Å; Q85-A145 CarbonylContact O-C 3.56Å; Q85-L146 PolarHBondContact O-N 3.41Å |
| 86 | V | 97.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160 | 169.8 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | T97 Y98 I100 F109 V143 V144 I149 | V86-T97 WeakPolarHBondContact O-CA 3.5Å; V86-Y98 PolarHBondContact N-O 3.2Å; V86-Y98 PolarHBondContact O-N 2.87Å; V86-I100 HydrophobicContact CB-CD1 4.46Å; V86-I100 HydrophobicContact CG1-CD1 3.51Å; V86-I100 HydrophobicContact CG1-CG1 3.87Å; V86-I100 HydrophobicContact CG2-CD1 4.11Å; V86-I100 HydrophobicContact CG2-CG1 4.15Å; V86-I100 HydrophobicContact CG2-CG2 3.73Å; V86-F109 HydrophobicContact CG2-CE2 4.38Å; V86-F109 HydrophobicContact CG2-CZ 4.4Å; V86-V143 HydrophobicContact CG1-CG1 3.63Å; V86-V144 WeakPolarHBondContact CG1-O 3.38Å; V86-I149 HydrophobicContact CG2-CD1 4.48Å |
| 87 | F | 98.1 | Very high | 86.2 | Confident | 54 Ų | 54 | 78.7 Ų | 78.7 | 24% | 0.237 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.8 | 177.5 | -58.8 | -63.3 | 0 | 0 | 0 | 109.6 | V95 T97 L146 S147 T148 I149 | F87-V95 HydrophobicContact CB-CG1 3.75Å; F87-V95 HydrophobicContact CD1-CG1 3.86Å; F87-V95 HydrophobicContact CG-CG1 4.08Å; F87-T97 HydrophobicContact CE1-CG2 4.36Å; F87-L146 WeakPolarHBondContact CD2-O 3.48Å; F87-L146 HydrophobicContact CE2-CB 3.99Å; F87-L146 HydrophobicContact CE2-CD2 3.95Å; F87-L146 HydrophobicContact CZ-CD2 3.96Å; F87-S147 PolarHBondContact N-O 2.72Å; F87-T148 HydrophobicContact CB-CG2 4.3Å; F87-T148 CarbonylContact O-C 3.59Å; F87-T148 WeakPolarHBondContact O-CA 3.36Å; F87-I149 PolarHBondContact O-N 2.86Å |
| 88 | L | 98.1 | Very high | 87 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.1 | 167.7 | -170.7 | 78.3 | 0 | 0 | 0 | 108.3 | V95 S96 Y98 F109 V113 E117 L126 I149 L151 | L88-V95 CarbonylContact O-C 3.54Å; L88-V95 WeakPolarHBondContact O-CA 3.43Å; L88-S96 PolarHBondContact N-O 3.08Å; L88-S96 PolarHBondContact O-N 3.05Å; L88-Y98 HydrophobicContact CB-CD2 3.87Å; L88-Y98 HydrophobicContact CB-CE2 3.59Å; L88-Y98 HydrophobicContact CD2-CE2 3.77Å; L88-Y98 HydrophobicContact CG-CE2 4.34Å; L88-F109 HydrophobicContact CD1-CE1 4.07Å; L88-F109 HydrophobicContact CD1-CZ 4.3Å; L88-V113 HydrophobicContact CD1-CG2 4.39Å; L88-V113 HydrophobicContact CD2-CB 4.38Å; L88-V113 HydrophobicContact CD2-CG1 3.79Å; L88-V113 HydrophobicContact CD2-CG2 3.72Å; L88-E117 HydrophobicContact CD2-CG 4.01Å; L88-L126 HydrophobicContact CD1-CD2 3.9Å; L88-I149 CarbonylContact C-O 3.6Å; L88-I149 WeakPolarHBondContact CA-O 3.32Å; L88-I149 HydrophobicContact CD1-CB 4.14Å; L88-I149 HydrophobicContact CD1-CG2 4.03Å; L88-L151 HydrophobicContact CD1-CB 4.05Å; L88-L151 HydrophobicContact CD2-CB 4.34Å; L88-L151 HydrophobicContact CD2-CD2 4.2Å; L88-L151 HydrophobicContact CG-CB 4.14Å |
| 89 | R | 97.6 | Very high | 88.4 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.6 | 173.9 | -176.2 | -177.2 | -62.5 | 169.3 | 2.9 | 109.4 | K94 V95 T148 I149 D150 L151 | R89-K94 WeakPolarHBondContact CA-O 3.24Å; R89-V95 HydrophobicContact CB-CG2 4.27Å; R89-V95 HydrophobicContact CG-CG2 4.24Å; R89-T148 HydrophobicContact CB-CG2 3.96Å; R89-I149 PolarHBondContact N-O 2.71Å; R89-D150 CarbonylContact O-C 3.54Å; R89-D150 WeakPolarHBondContact O-CA 3.46Å; R89-L151 PolarHBondContact O-N 2.91Å |
| 90 | N | 94.1 | Very high | 90 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 15% | 0.15 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 173.6 | 175.4 | 73 | 16.2 | 0 | 0 | 0 | 112.4 | K92 G93 K94 L151 | N90-K92 PolarHBondContact O-N 2.85Å; N90-K92 WeakPolarHBondContact OD1-CA 3.37Å; N90-K92 WeakPolarHBondContact OD1-CB 3.4Å; N90-K92 PolarHBondContact OD1-N 2.87Å; N90-G93 WeakPolarHBondContact O-CA 3.14Å; N90-G93 PolarHBondContact O-N 2.81Å; N90-G93 PolarHBondContact OD1-N 3.16Å; N90-K94 PolarHBondContact N-O 3.43Å; N90-K94 WeakPolarHBondContact OD1-CB 3.36Å; N90-K94 PolarHBondContact OD1-N 2.77Å; N90-L151 HydrophobicContact CB-CD2 4.48Å |
| 91 | E | 90.3 | Very high | 91.5 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.4 | 179.8 | -59 | -169.6 | 148.5 | 0 | 0 | 114.7 | G93 L151 L152 M153 | E91-G93 VanDerWaalsContact C-N 3.28Å; E91-L151 WeakPolarHBondContact CG-O 3.2Å; E91-L151 PolarHBondContact N-O 2.86Å; E91-L152 HydrophobicContact CG-CD2 4.37Å; E91-M153 WeakPolarHBondContact OE1-CB 3.4Å; E91-M153 PolarHBondContact OE1-N 2.83Å; E91-M153 WeakPolarHBondContact OE2-CE 3.48Å |
| 92 | K | 91.4 | Very high | 92.4 | Very high | 196 Ų | 196 | 59.9 Ų | 59.9 | 85% | 0.852 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.3 | 175.8 | -59 | 178.9 | -179.3 | 177.1 | 0 | 112.6 | N90 K94 | N90-K92 PolarHBondContact O-N 2.85Å; N90-K92 WeakPolarHBondContact OD1-CA 3.37Å; N90-K92 WeakPolarHBondContact OD1-CB 3.4Å; N90-K92 PolarHBondContact OD1-N 2.87Å; K92-K94 PolarHBondContact O-N 2.83Å |
| 93 | G | 93 | Very high | 93.4 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 76.7 | 3.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N90 E91 | N90-G93 WeakPolarHBondContact O-CA 3.14Å; N90-G93 PolarHBondContact O-N 2.81Å; N90-G93 PolarHBondContact OD1-N 3.16Å; E91-G93 VanDerWaalsContact C-N 3.28Å |
| 94 | K | 94.9 | Very high | 93.9 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | trans | -71.1 | 133.3 | 175.4 | 176.2 | -172.1 | 168.5 | -166.7 | 0 | 109.1 | R89 N90 K92 | R89-K94 WeakPolarHBondContact CA-O 3.24Å; N90-K94 PolarHBondContact N-O 3.43Å; N90-K94 WeakPolarHBondContact OD1-CB 3.36Å; N90-K94 PolarHBondContact OD1-N 2.77Å; K92-K94 PolarHBondContact O-N 2.83Å | ||
| 95 | V | 96.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.5 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | F87 L88 R89 | F87-V95 HydrophobicContact CB-CG1 3.75Å; F87-V95 HydrophobicContact CD1-CG1 3.86Å; F87-V95 HydrophobicContact CG-CG1 4.08Å; L88-V95 CarbonylContact O-C 3.54Å; L88-V95 WeakPolarHBondContact O-CA 3.43Å; R89-V95 HydrophobicContact CB-CG2 4.27Å; R89-V95 HydrophobicContact CG-CG2 4.24Å |
| 96 | S | 96.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135 | 175 | -69 | 0 | 0 | 0 | 0 | 109.6 | L88 E117 | L88-S96 PolarHBondContact N-O 3.08Å; L88-S96 PolarHBondContact O-N 3.05Å; S96-E117 WeakPolarHBondContact CB-OE1 3.49Å; S96-E117 PolarHBondContact OG-OE1 2.89Å |
| 97 | T | 96.9 | Very high | 94.2 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.3 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | Q85 V86 F87 R116 | Q85-T97 HydrophobicContact CB-CG2 4.19Å; Q85-T97 HydrophobicContact CG-CG2 4.1Å; V86-T97 WeakPolarHBondContact O-CA 3.5Å; F87-T97 HydrophobicContact CE1-CG2 4.36Å; T97-R116 PolarHBondContact O-NH1 3.14Å |
| 98 | Y | 96.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.7 | 175.1 | -71.1 | -102.8 | 0 | 0 | 0 | 110.4 | Q85 V86 L88 F109 R112 V113 R116 | Q85-Y98 CarbonylContact C-O 3.58Å; Q85-Y98 WeakPolarHBondContact CA-O 3.17Å; V86-Y98 PolarHBondContact N-O 3.2Å; V86-Y98 PolarHBondContact O-N 2.87Å; L88-Y98 HydrophobicContact CB-CD2 3.87Å; L88-Y98 HydrophobicContact CB-CE2 3.59Å; L88-Y98 HydrophobicContact CD2-CE2 3.77Å; L88-Y98 HydrophobicContact CG-CE2 4.34Å; Y98-F109 AromaticContact CD1-CE2 3.89Å; Y98-F109 HydrophobicContact CD1-CE2 3.89Å; Y98-F109 HydrophobicContact CD1-CZ 4.48Å; Y98-F109 HydrophobicContact CD2-CE2 4.46Å; Y98-F109 HydrophobicContact CD2-CZ 4.39Å; Y98-F109 AromaticContact CG-CE2 3.82Å; Y98-F109 HydrophobicContact CG-CE2 3.82Å; Y98-F109 HydrophobicContact CG-CZ 4.19Å; Y98-R112 HydrophobicContact CE1-CB 4.45Å; Y98-V113 HydrophobicContact CE1-CG2 4.37Å; Y98-R116 WeakPolarHBondContact OH-CD 3.43Å |
| 99 | D | 93.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.1 | 163.3 | -60.4 | -54.9 | 0 | 0 | 0 | 108.5 | C83 Q85 R112 | C83-D99 HydrophobicContact CB-CB 4.1Å; Q85-D99 WeakPolarHBondContact CG-OD1 3.38Å; Q85-D99 PolarHBondContact NE2-OD1 2.82Å; D99-R112 VanDerWaalsContact O-CZ 3.3Å; D99-R112 PolarHBondContact O-NH1 2.95Å; D99-R112 PolarHBondContact O-NH2 2.92Å |
| 100 | I | 93.5 | Very high | 94 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 159.1 | 176.5 | 65.9 | 164.7 | 0 | 0 | 0 | 111 | C83 I84 V86 E104 F109 L138 V143 | C83-I100 CarbonylContact C-O 3.57Å; C83-I100 VanDerWaalsContact CA-O 3.24Å; C83-I100 WeakPolarHBondContact CA-O 3.26Å; I84-I100 HydrophobicContact CD1-CD1 4.1Å; I84-I100 HydrophobicContact CD1-CG1 4.17Å; I84-I100 HydrophobicContact CG1-CD1 4.05Å; I84-I100 HydrophobicContact CG1-CG1 3.56Å; I84-I100 PolarHBondContact N-O 3.34Å; I84-I100 WeakPolarHBondContact O-CG1 3.43Å; I84-I100 PolarHBondContact O-N 2.72Å; V86-I100 HydrophobicContact CB-CD1 4.46Å; V86-I100 HydrophobicContact CG1-CD1 3.51Å; V86-I100 HydrophobicContact CG1-CG1 3.87Å; V86-I100 HydrophobicContact CG2-CD1 4.11Å; V86-I100 HydrophobicContact CG2-CG1 4.15Å; V86-I100 HydrophobicContact CG2-CG2 3.73Å; I100-E104 WeakPolarHBondContact CA-OE2 3.37Å; I100-E104 WeakPolarHBondContact CB-OE2 3.44Å; I100-E104 WeakPolarHBondContact CG2-OE2 3.49Å; I100-F109 HydrophobicContact CG2-CD2 3.75Å; I100-F109 HydrophobicContact CG2-CE2 3.66Å; I100-L138 HydrophobicContact CB-CD1 3.97Å; I100-L138 HydrophobicContact CD1-CB 4.26Å; I100-L138 HydrophobicContact CD1-CD1 3.5Å; I100-L138 HydrophobicContact CG1-CD1 4.33Å; I100-L138 HydrophobicContact CG2-CD1 3.82Å; I100-V143 HydrophobicContact CD1-CG1 3.77Å |
| 101 | T | 91 | Very high | 94.1 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | trans | -103.1 | 154.3 | 169.8 | 72.1 | 0 | 0 | 0 | 0 | 110.2 | P81 E103 E104 | P81-T101 HydrophobicContact CB-CG2 4.33Å; P81-T101 HydrophobicContact CG-CG2 3.73Å; T101-E103 PolarHBondContact O-N 3.24Å; T101-E103 VanDerWaalsContact O-N 3.08Å; T101-E104 PolarHBondContact N-OE2 3.35Å; T101-E104 WeakPolarHBondContact O-CB 3.44Å; T101-E104 PolarHBondContact O-N 2.89Å; T101-E104 PolarHBondContact OG1-N 3.26Å | ||
| 102 | P | 82.1 | Confident | 94.4 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.9 | 175.1 | -25.4 | 34.9 | 0 | 0 | 0 | 114.1 | S139 | P102-S139 WeakPolarHBondContact O-CB 3.24Å; P102-S139 PolarHBondContact O-OG 3.33Å |
| 103 | E | 89.3 | Confident | 94.5 | Very high | 114 Ų | 114 | 47.2 Ų | 47.2 | 53% | 0.533 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -8 | -178.8 | -61 | -59.1 | 139.4 | 0 | 0 | 113.2 | T101 T105 K137 | T101-E103 PolarHBondContact O-N 3.24Å; T101-E103 VanDerWaalsContact O-N 3.08Å; E103-T105 PolarHBondContact O-N 3.26Å; E103-K137 IonicContact OE1-NZ 2.86Å; E103-K137 WeakPolarHBondContact OE2-CE 3.44Å; E103-K137 IonicContact OE2-NZ 3.89Å; E103-K137 PolarHBondContact OE2-NZ 2.96Å |
| 104 | E | 93.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | trans | -63 | 129.2 | -178.1 | -172.6 | 166 | 177.8 | 0 | 0 | 110.4 | I100 T101 D108 F109 R112 K137 L138 | I100-E104 WeakPolarHBondContact CA-OE2 3.37Å; I100-E104 WeakPolarHBondContact CB-OE2 3.44Å; I100-E104 WeakPolarHBondContact CG2-OE2 3.49Å; T101-E104 PolarHBondContact N-OE2 3.35Å; T101-E104 WeakPolarHBondContact O-CB 3.44Å; T101-E104 PolarHBondContact O-N 2.89Å; T101-E104 PolarHBondContact OG1-N 3.26Å; E104-D108 HydrophobicContact CG-CB 4.15Å; E104-F109 HydrophobicContact CG-CB 4.41Å; E104-R112 WeakPolarHBondContact OE1-CD 3.48Å; E104-R112 IonicContact OE1-CZ 3.11Å; E104-R112 IonicContact OE1-NH1 3.4Å; E104-R112 PolarHBondContact OE1-NH1 2.86Å; E104-R112 IonicContact OE2-NH1 3.97Å; E104-R112 PolarHBondContact OE2-NH1 3.36Å; E104-R112 VanDerWaalsContact OE2-NH1 3.16Å; E104-K137 WeakPolarHBondContact O-CA 3.45Å; E104-L138 HydrophobicContact CB-CD1 4.18Å; E104-L138 HydrophobicContact CG-CD1 4.22Å; E104-L138 WeakPolarHBondContact O-CG 3.36Å; E104-L138 PolarHBondContact O-N 2.79Å | ||
| 105 | T | 96.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -80.9 | 154.5 | 178.9 | 73.4 | 0 | 0 | 0 | 0 | 111.2 | E103 S107 D108 F109 G136 | E103-T105 PolarHBondContact O-N 3.26Å; T105-S107 PolarHBondContact O-N 3.39Å; T105-D108 PolarHBondContact N-OD2 2.84Å; T105-D108 PolarHBondContact O-N 3.23Å; T105-D108 PolarHBondContact OG1-N 3.04Å; T105-D108 VanDerWaalsContact OG1-N 3.12Å; T105-D108 PolarHBondContact OG1-OD1 3.37Å; T105-D108 PolarHBondContact OG1-OD2 3.46Å; T105-F109 PolarHBondContact O-N 3.1Å; T105-G136 CarbonylContact C-O 3.55Å; T105-G136 VanDerWaalsContact CA-O 3.28Å; T105-G136 WeakPolarHBondContact CA-O 3.39Å; T105-G136 WeakPolarHBondContact CB-O 3.49Å |
| 106 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.6 | -40 | 173 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | F109 K110 L126 M133 G136 L138 Y141 | V106-F109 PolarHBondContact O-N 3.19Å; V106-K110 HydrophobicContact CG1-CD 4.36Å; V106-K110 HydrophobicContact CG1-CG 4.47Å; V106-K110 VanDerWaalsContact O-CG 3.31Å; V106-K110 WeakPolarHBondContact O-CG 3.33Å; V106-K110 PolarHBondContact O-N 2.56Å; V106-L126 HydrophobicContact CG1-CD1 4.5Å; V106-M133 HydrophobicContact CG1-CB 4.11Å; V106-M133 HydrophobicContact CG2-CB 4.14Å; V106-M133 HydrophobicContact CG2-CE 4.15Å; V106-G136 PolarHBondContact N-O 3.09Å; V106-L138 HydrophobicContact CG2-CD2 4.15Å; V106-Y141 HydrophobicContact CG2-CD2 4.24Å; V106-Y141 HydrophobicContact CG2-CE2 3.69Å |
| 107 | S | 97.1 | Very high | 94 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | T105 K110 R111 | T105-S107 PolarHBondContact O-N 3.39Å; S107-K110 PolarHBondContact O-N 3.02Å; S107-R111 PolarHBondContact O-N 2.9Å; S107-R111 VanDerWaalsContact O-N 3.14Å; S107-R111 PolarHBondContact O-NH1 3.49Å |
| 108 | D | 96.5 | Very high | 93.8 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.9 | -56.6 | -29.4 | 0 | 0 | 0 | 110.9 | E104 T105 K110 R111 R112 | E104-D108 HydrophobicContact CG-CB 4.15Å; T105-D108 PolarHBondContact N-OD2 2.84Å; T105-D108 PolarHBondContact O-N 3.23Å; T105-D108 PolarHBondContact OG1-N 3.04Å; T105-D108 VanDerWaalsContact OG1-N 3.12Å; T105-D108 PolarHBondContact OG1-OD1 3.37Å; T105-D108 PolarHBondContact OG1-OD2 3.46Å; D108-K110 PolarHBondContact O-N 3.49Å; D108-R111 WeakPolarHBondContact O-CB 3.39Å; D108-R111 PolarHBondContact O-N 3.46Å; D108-R111 IonicContact OD1-CZ 3.72Å; D108-R111 IonicContact OD1-NH1 2.69Å; D108-R111 IonicContact OD1-NH2 3.84Å; D108-R111 PolarHBondContact OD1-NH2 2.69Å; D108-R112 PolarHBondContact O-N 3.44Å |
| 109 | F | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.1 | -172.2 | -110.8 | 0 | 0 | 0 | 111.5 | V86 L88 Y98 I100 E104 T105 V106 R111 R112 V113 L126 L138 I149 | V86-F109 HydrophobicContact CG2-CE2 4.38Å; V86-F109 HydrophobicContact CG2-CZ 4.4Å; L88-F109 HydrophobicContact CD1-CE1 4.07Å; L88-F109 HydrophobicContact CD1-CZ 4.3Å; Y98-F109 AromaticContact CD1-CE2 3.89Å; Y98-F109 HydrophobicContact CD1-CE2 3.89Å; Y98-F109 HydrophobicContact CD1-CZ 4.48Å; Y98-F109 HydrophobicContact CD2-CE2 4.46Å; Y98-F109 HydrophobicContact CD2-CZ 4.39Å; Y98-F109 AromaticContact CG-CE2 3.82Å; Y98-F109 HydrophobicContact CG-CE2 3.82Å; Y98-F109 HydrophobicContact CG-CZ 4.19Å; I100-F109 HydrophobicContact CG2-CD2 3.75Å; I100-F109 HydrophobicContact CG2-CE2 3.66Å; E104-F109 HydrophobicContact CG-CB 4.41Å; T105-F109 PolarHBondContact O-N 3.1Å; V106-F109 PolarHBondContact O-N 3.19Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-R111 PolarHBondContact O-N 3.01Å; F109-R112 WeakPolarHBondContact O-CB 3.34Å; F109-R112 PolarHBondContact O-N 3.29Å; F109-R112 VanDerWaalsContact O-N 3.1Å; F109-V113 HydrophobicContact CD1-CG2 4.12Å; F109-V113 HydrophobicContact CE1-CG2 3.84Å; F109-V113 HydrophobicContact CZ-CG2 4.08Å; F109-V113 WeakPolarHBondContact O-CG2 3.43Å; F109-V113 PolarHBondContact O-N 2.6Å; F109-L126 HydrophobicContact CD1-CD1 3.62Å; F109-L126 HydrophobicContact CE1-CD1 4.07Å; F109-L138 HydrophobicContact CB-CD1 4.08Å; F109-L138 HydrophobicContact CB-CD2 4.1Å; F109-L138 HydrophobicContact CD1-CD2 4.23Å; F109-L138 HydrophobicContact CD2-CD1 4.09Å; F109-L138 HydrophobicContact CG-CD1 4.01Å; F109-L138 HydrophobicContact CG-CD2 4.24Å; F109-I149 HydrophobicContact CE1-CD1 3.85Å; F109-I149 HydrophobicContact CZ-CD1 4.12Å |
| 110 | K | 96.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 174.9 | -76.7 | -175.7 | 176.9 | -175.7 | 0 | 113.2 | V106 S107 D108 R112 V113 Q114 E121 Q124 L126 | V106-K110 HydrophobicContact CG1-CD 4.36Å; V106-K110 HydrophobicContact CG1-CG 4.47Å; V106-K110 VanDerWaalsContact O-CG 3.31Å; V106-K110 WeakPolarHBondContact O-CG 3.33Å; V106-K110 PolarHBondContact O-N 2.56Å; S107-K110 PolarHBondContact O-N 3.02Å; D108-K110 PolarHBondContact O-N 3.49Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.38Å; K110-V113 PolarHBondContact O-N 3.32Å; K110-Q114 PolarHBondContact O-N 2.71Å; K110-E121 HydrophobicContact CB-CG 4.05Å; K110-Q124 VanDerWaalsContact CA-OE1 3.22Å; K110-Q124 VanDerWaalsContact CB-OE1 3.32Å; K110-Q124 PolarHBondContact O-NE2 2.87Å; K110-Q124 PolarHBondContact O-OE1 2.99Å; K110-L126 HydrophobicContact CD-CD1 4.45Å; K110-L126 HydrophobicContact CG-CD1 3.55Å; K110-L126 HydrophobicContact CG-CG 4.22Å |
| 111 | R | 96.5 | Very high | 93.5 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 173.5 | -80.9 | -167.8 | -58.6 | -81.2 | 11.2 | 112.8 | S107 D108 F109 Q114 S115 E121 | S107-R111 PolarHBondContact O-N 2.9Å; S107-R111 VanDerWaalsContact O-N 3.14Å; S107-R111 PolarHBondContact O-NH1 3.49Å; D108-R111 WeakPolarHBondContact O-CB 3.39Å; D108-R111 PolarHBondContact O-N 3.46Å; D108-R111 IonicContact OD1-CZ 3.72Å; D108-R111 IonicContact OD1-NH1 2.69Å; D108-R111 IonicContact OD1-NH2 3.84Å; D108-R111 PolarHBondContact OD1-NH2 2.69Å; F109-R111 VanDerWaalsContact C-N 3.33Å; F109-R111 PolarHBondContact O-N 3.01Å; R111-Q114 PolarHBondContact O-N 3.11Å; R111-S115 PolarHBondContact O-N 3.01Å; R111-S115 PolarHBondContact O-OG 3.34Å; R111-E121 HydrophobicContact CG-CG 4.33Å; R111-E121 WeakPolarHBondContact CG-OE1 3.2Å; R111-E121 WeakPolarHBondContact CG-OE2 3.45Å |
| 112 | R | 95.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 175.9 | -68.6 | 176.7 | 62.8 | -158.9 | 3.4 | 111.7 | Y98 D99 E104 D108 F109 K110 Q114 S115 R116 | Y98-R112 HydrophobicContact CE1-CB 4.45Å; D99-R112 VanDerWaalsContact O-CZ 3.3Å; D99-R112 PolarHBondContact O-NH1 2.95Å; D99-R112 PolarHBondContact O-NH2 2.92Å; E104-R112 WeakPolarHBondContact OE1-CD 3.48Å; E104-R112 IonicContact OE1-CZ 3.11Å; E104-R112 IonicContact OE1-NH1 3.4Å; E104-R112 PolarHBondContact OE1-NH1 2.86Å; E104-R112 IonicContact OE2-NH1 3.97Å; E104-R112 PolarHBondContact OE2-NH1 3.36Å; E104-R112 VanDerWaalsContact OE2-NH1 3.16Å; D108-R112 PolarHBondContact O-N 3.44Å; F109-R112 WeakPolarHBondContact O-CB 3.34Å; F109-R112 PolarHBondContact O-N 3.29Å; F109-R112 VanDerWaalsContact O-N 3.1Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.38Å; R112-Q114 VanDerWaalsContact C-N 3.33Å; R112-Q114 PolarHBondContact O-N 3.05Å; R112-S115 PolarHBondContact O-N 2.81Å; R112-R116 PolarHBondContact O-N 2.79Å; R112-R116 VanDerWaalsContact O-N 3.09Å |
| 113 | V | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 174 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L88 Y98 F109 K110 S115 R116 E117 Q124 L151 | L88-V113 HydrophobicContact CD1-CG2 4.39Å; L88-V113 HydrophobicContact CD2-CB 4.38Å; L88-V113 HydrophobicContact CD2-CG1 3.79Å; L88-V113 HydrophobicContact CD2-CG2 3.72Å; Y98-V113 HydrophobicContact CE1-CG2 4.37Å; F109-V113 HydrophobicContact CD1-CG2 4.12Å; F109-V113 HydrophobicContact CE1-CG2 3.84Å; F109-V113 HydrophobicContact CZ-CG2 4.08Å; F109-V113 WeakPolarHBondContact O-CG2 3.43Å; F109-V113 PolarHBondContact O-N 2.6Å; K110-V113 PolarHBondContact O-N 3.32Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 2.78Å; V113-R116 PolarHBondContact O-N 2.88Å; V113-E117 HydrophobicContact CG1-CB 4.3Å; V113-E117 HydrophobicContact CG1-CG 4.1Å; V113-E117 WeakPolarHBondContact O-CB 3.38Å; V113-E117 PolarHBondContact O-N 3.27Å; V113-Q124 HydrophobicContact CG1-CG 4.46Å; V113-L151 HydrophobicContact CG1-CD1 4.4Å; V113-L151 HydrophobicContact CG1-CD2 3.85Å |
| 114 | Q | 94.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.5 | 176.4 | 172 | -44.5 | 0 | 0 | 111.1 | K110 R111 R112 R116 S118 V119 E121 Q124 | K110-Q114 PolarHBondContact O-N 2.71Å; R111-Q114 PolarHBondContact O-N 3.11Å; R112-Q114 VanDerWaalsContact C-N 3.33Å; R112-Q114 PolarHBondContact O-N 3.05Å; Q114-R116 VanDerWaalsContact C-N 3.27Å; Q114-R116 PolarHBondContact O-N 3.37Å; Q114-S118 WeakPolarHBondContact O-CA 3.33Å; Q114-S118 PolarHBondContact O-N 3.31Å; Q114-V119 VanDerWaalsContact CA-O 3.26Å; Q114-V119 WeakPolarHBondContact CA-O 3.14Å; Q114-V119 VanDerWaalsContact CB-O 3.3Å; Q114-V119 WeakPolarHBondContact CB-O 3.44Å; Q114-V119 WeakPolarHBondContact CG-O 3.37Å; Q114-E121 HydrophobicContact CB-CG 4.38Å; Q114-Q124 VanDerWaalsContact N-NE2 3.17Å |
| 115 | S | 93.5 | Very high | 94.4 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.5 | -33.8 | -177.9 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | R111 R112 V113 | R111-S115 PolarHBondContact O-N 3.01Å; R111-S115 PolarHBondContact O-OG 3.34Å; R112-S115 PolarHBondContact O-N 2.81Å; V113-S115 VanDerWaalsContact C-N 3.3Å; V113-S115 PolarHBondContact O-N 2.78Å |
| 116 | R | 92.8 | Very high | 94.5 | Very high | 138 Ų | 138 | 54.5 Ų | 54.5 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -100 | -36.6 | -173.3 | -172.7 | 170.6 | -179.5 | -172.4 | 1.5 | 114.8 | T97 Y98 R112 V113 Q114 | T97-R116 PolarHBondContact O-NH1 3.14Å; Y98-R116 WeakPolarHBondContact OH-CD 3.43Å; R112-R116 PolarHBondContact O-N 2.79Å; R112-R116 VanDerWaalsContact O-N 3.09Å; V113-R116 PolarHBondContact O-N 2.88Å; Q114-R116 VanDerWaalsContact C-N 3.27Å; Q114-R116 PolarHBondContact O-N 3.37Å |
| 117 | E | 90.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -98.6 | -5.7 | -179.9 | -56.2 | -63.1 | 152.2 | 0 | 0 | 112.3 | L88 S96 V113 V119 L151 | L88-E117 HydrophobicContact CD2-CG 4.01Å; S96-E117 WeakPolarHBondContact CB-OE1 3.49Å; S96-E117 PolarHBondContact OG-OE1 2.89Å; V113-E117 HydrophobicContact CG1-CB 4.3Å; V113-E117 HydrophobicContact CG1-CG 4.1Å; V113-E117 WeakPolarHBondContact O-CB 3.38Å; V113-E117 PolarHBondContact O-N 3.27Å; E117-V119 HydrophobicContact CB-CG2 4.3Å; E117-V119 PolarHBondContact O-N 3.2Å; E117-L151 HydrophobicContact CB-CD2 4.4Å; E117-L151 HydrophobicContact CG-CD2 4.39Å |
| 118 | S | 91.8 | Very high | 94.5 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 72% | 0.72 | 27% | 0.273 | S | S | * | . | trans | 59 | 28.1 | -178.9 | -53 | 0 | 0 | 0 | 0 | 114.3 | Q114 | Q114-S118 WeakPolarHBondContact O-CA 3.33Å; Q114-S118 PolarHBondContact O-N 3.31Å | ||
| 119 | V | 90.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -102.5 | 119.1 | 176 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | Q114 E117 Q123 Q124 L151 | Q114-V119 VanDerWaalsContact CA-O 3.26Å; Q114-V119 WeakPolarHBondContact CA-O 3.14Å; Q114-V119 VanDerWaalsContact CB-O 3.3Å; Q114-V119 WeakPolarHBondContact CB-O 3.44Å; Q114-V119 WeakPolarHBondContact CG-O 3.37Å; E117-V119 HydrophobicContact CB-CG2 4.3Å; E117-V119 PolarHBondContact O-N 3.2Å; V119-Q123 HydrophobicContact CG1-CB 4.11Å; V119-Q124 HydrophobicContact CB-CG 4.16Å; V119-Q124 HydrophobicContact CG1-CG 3.78Å; V119-Q124 PolarHBondContact O-NE2 3.29Å; V119-L151 HydrophobicContact CG2-CD2 4.39Å | ||
| 120 | P | 93.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | trans | -55 | 138.5 | 177.8 | -24.7 | 32.3 | 0 | 0 | 0 | 112.9 | S122 Q123 Q124 | P120-S122 PolarHBondContact O-N 3.06Å; P120-S122 VanDerWaalsContact O-N 3.08Å; P120-Q123 HydrophobicContact CB-CG 4.21Å; P120-Q123 VanDerWaalsContact CD-OE1 3.32Å; P120-Q123 HydrophobicContact CG-CG 4.43Å; P120-Q123 WeakPolarHBondContact O-CA 3.48Å; P120-Q123 WeakPolarHBondContact O-CB 3.3Å; P120-Q123 PolarHBondContact O-N 3.4Å; P120-Q124 WeakPolarHBondContact O-CG 3.1Å; P120-Q124 PolarHBondContact O-N 3.12Å | ||
| 121 | E | 93.8 | Very high | 94.2 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -50.1 | -37.7 | -179.2 | -73.6 | 178.3 | -104.4 | 0 | 0 | 113.7 | K110 R111 Q114 Q123 Q124 | K110-E121 HydrophobicContact CB-CG 4.05Å; R111-E121 HydrophobicContact CG-CG 4.33Å; R111-E121 WeakPolarHBondContact CG-OE1 3.2Å; R111-E121 WeakPolarHBondContact CG-OE2 3.45Å; Q114-E121 HydrophobicContact CB-CG 4.38Å; E121-Q123 PolarHBondContact O-N 2.93Å; E121-Q124 PolarHBondContact O-N 3.25Å |
| 122 | S | 91.8 | Very high | 94.2 | Very high | 89 Ų | 89 | 64.7 Ų | 64.7 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -64 | -27.1 | 178.5 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | P120 R154 | P120-S122 PolarHBondContact O-N 3.06Å; P120-S122 VanDerWaalsContact O-N 3.08Å; S122-R154 PolarHBondContact O-NH1 3.42Å |
| 123 | Q | 93.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -93.3 | -14.3 | 179.6 | -57.4 | -168.2 | -43.4 | 0 | 0 | 112.7 | V119 P120 E121 M153 R154 R156 | V119-Q123 HydrophobicContact CG1-CB 4.11Å; P120-Q123 HydrophobicContact CB-CG 4.21Å; P120-Q123 VanDerWaalsContact CD-OE1 3.32Å; P120-Q123 HydrophobicContact CG-CG 4.43Å; P120-Q123 WeakPolarHBondContact O-CA 3.48Å; P120-Q123 WeakPolarHBondContact O-CB 3.3Å; P120-Q123 PolarHBondContact O-N 3.4Å; E121-Q123 PolarHBondContact O-N 2.93Å; Q123-M153 WeakPolarHBondContact O-CA 3.45Å; Q123-R154 PolarHBondContact O-N 3.17Å; Q123-R156 VanDerWaalsContact NE2-CZ 3.26Å |
| 124 | Q | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.4 | 179.8 | -64.1 | 176 | 29.4 | 0 | 0 | 111.5 | K110 V113 Q114 V119 P120 E121 L151 | K110-Q124 VanDerWaalsContact CA-OE1 3.22Å; K110-Q124 VanDerWaalsContact CB-OE1 3.32Å; K110-Q124 PolarHBondContact O-NE2 2.87Å; K110-Q124 PolarHBondContact O-OE1 2.99Å; V113-Q124 HydrophobicContact CG1-CG 4.46Å; Q114-Q124 VanDerWaalsContact N-NE2 3.17Å; V119-Q124 HydrophobicContact CB-CG 4.16Å; V119-Q124 HydrophobicContact CG1-CG 3.78Å; V119-Q124 PolarHBondContact O-NE2 3.29Å; P120-Q124 WeakPolarHBondContact O-CG 3.1Å; P120-Q124 PolarHBondContact O-N 3.12Å; E121-Q124 PolarHBondContact O-N 3.25Å; Q124-L151 HydrophobicContact CB-CD1 3.91Å; Q124-L151 HydrophobicContact CG-CD1 3.95Å |
| 125 | R | 95.7 | Very high | 94.2 | Very high | 97 Ų | 97 | 63.5 Ų | 63.5 | 37% | 0.366 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 98.2 | 168.3 | -174.5 | 179.5 | -170.6 | -132.8 | -4.9 | 108.7 | V127 E132 L152 R154 | R125-V127 HydrophobicContact CG-CG2 4.17Å; R125-E132 HydrophobicContact CG-CG 4.01Å; R125-E132 IonicContact CZ-OE2 3.16Å; R125-E132 IonicContact NE-OE1 3.82Å; R125-E132 IonicContact NE-OE2 2.6Å; R125-E132 PolarHBondContact NE-OE2 2.77Å; R125-E132 IonicContact NH2-OE2 2.56Å; R125-E132 PolarHBondContact NH2-OE2 2.85Å; R125-E132 VanDerWaalsContact NH2-OE2 3.07Å; R125-L152 WeakPolarHBondContact CA-O 3.22Å; R125-L152 HydrophobicContact CB-CB 4.11Å; R125-L152 WeakPolarHBondContact CB-O 3.4Å; R125-L152 HydrophobicContact CG-CB 4.49Å; R125-L152 PolarHBondContact N-O 3.31Å; R125-L152 PolarHBondContact O-N 3.5Å; R125-R154 HydrophobicContact CB-CG 4.31Å |
| 126 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.5 | 176.5 | -60.3 | -179.6 | 0 | 0 | 0 | 109.3 | L88 V106 F109 K110 E132 M133 I149 D150 L151 | L88-L126 HydrophobicContact CD1-CD2 3.9Å; V106-L126 HydrophobicContact CG1-CD1 4.5Å; F109-L126 HydrophobicContact CD1-CD1 3.62Å; F109-L126 HydrophobicContact CE1-CD1 4.07Å; K110-L126 HydrophobicContact CD-CD1 4.45Å; K110-L126 HydrophobicContact CG-CD1 3.55Å; K110-L126 HydrophobicContact CG-CG 4.22Å; L126-E132 WeakPolarHBondContact O-CA 3.31Å; L126-M133 HydrophobicContact CB-CB 4.16Å; L126-M133 PolarHBondContact O-N 3.16Å; L126-I149 HydrophobicContact CB-CG2 4.1Å; L126-I149 HydrophobicContact CD2-CG2 4.24Å; L126-D150 CarbonylContact C-O 3.53Å; L126-D150 WeakPolarHBondContact CA-O 3.46Å; L126-L151 HydrophobicContact CD2-CB 4.37Å; L126-L151 HydrophobicContact CD2-CD1 3.89Å |
| 127 | V | 96.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.8 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | R125 R131 D150 L152 | R125-V127 HydrophobicContact CG-CG2 4.17Å; V127-R131 WeakPolarHBondContact CA-O 3.46Å; V127-D150 HydrophobicContact CB-CB 4.49Å; V127-D150 PolarHBondContact N-O 3.12Å; V127-D150 PolarHBondContact O-N 3.33Å; V127-L152 HydrophobicContact CG2-CD1 4.02Å |
| 128 | Y | 97.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 56 Ų | 56 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.9 | 173.2 | 178.9 | -113.4 | 0 | 0 | 0 | 109.6 | G130 R131 Y141 H142 V143 S147 T148 I149 | Y128-G130 PolarHBondContact O-N 2.8Å; Y128-G130 VanDerWaalsContact O-N 3.12Å; Y128-R131 PolarHBondContact N-O 2.86Å; Y128-R131 WeakPolarHBondContact O-CB 3.28Å; Y128-R131 PolarHBondContact O-N 2.83Å; Y128-Y141 VanDerWaalsContact CD1-O 3.24Å; Y128-Y141 WeakPolarHBondContact CD1-O 3.5Å; Y128-Y141 WeakPolarHBondContact CE1-O 3.44Å; Y128-H142 VanDerWaalsContact CE1-O 3.32Å; Y128-H142 WeakPolarHBondContact CE1-O 3.4Å; Y128-H142 PolarHBondContact OH-O 3.08Å; Y128-V143 HydrophobicContact CD1-CG2 3.81Å; Y128-V143 HydrophobicContact CD2-CG2 4.49Å; Y128-V143 HydrophobicContact CE1-CG2 4.17Å; Y128-V143 HydrophobicContact CG-CG2 3.97Å; Y128-S147 PolarHBondContact OH-OG 3.47Å; Y128-T148 WeakPolarHBondContact CD2-O 3.47Å; Y128-I149 HydrophobicContact CD2-CG1 4.42Å |
| 129 | Q | 95.2 | Very high | 94.8 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 38.2 | -177.1 | -62.8 | -177.8 | -13 | 0 | 0 | 113.6 | R131 | Q129-R131 VanDerWaalsContact C-N 3.25Å; Q129-R131 PolarHBondContact O-N 3.18Å |
| 130 | G | 93.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 78% | 0.784 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | -1.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y128 | Y128-G130 PolarHBondContact O-N 2.8Å; Y128-G130 VanDerWaalsContact O-N 3.12Å |
| 131 | R | 95.8 | Very high | 95.2 | Very high | 143 Ų | 143 | 54.8 Ų | 54.8 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.8 | 176.6 | -171.8 | 172.4 | 179 | -162.7 | -1.5 | 111 | V127 Y128 Q129 Y141 | V127-R131 WeakPolarHBondContact CA-O 3.46Å; Y128-R131 PolarHBondContact N-O 2.86Å; Y128-R131 WeakPolarHBondContact O-CB 3.28Å; Y128-R131 PolarHBondContact O-N 2.83Å; Q129-R131 VanDerWaalsContact C-N 3.25Å; Q129-R131 PolarHBondContact O-N 3.18Å; R131-Y141 HydrophobicContact CG-CD1 4.02Å; R131-Y141 HydrophobicContact CG-CE1 4.09Å |
| 132 | E | 96.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 58 Ų | 58 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131.7 | 173.1 | -173.9 | 172.8 | 164.8 | 0 | 0 | 110.7 | R125 L126 T134 Y141 R154 | R125-E132 HydrophobicContact CG-CG 4.01Å; R125-E132 IonicContact CZ-OE2 3.16Å; R125-E132 IonicContact NE-OE1 3.82Å; R125-E132 IonicContact NE-OE2 2.6Å; R125-E132 PolarHBondContact NE-OE2 2.77Å; R125-E132 IonicContact NH2-OE2 2.56Å; R125-E132 PolarHBondContact NH2-OE2 2.85Å; R125-E132 VanDerWaalsContact NH2-OE2 3.07Å; L126-E132 WeakPolarHBondContact O-CA 3.31Å; E132-T134 HydrophobicContact CG-CG2 3.91Å; E132-Y141 WeakPolarHBondContact O-CE1 3.33Å; E132-R154 IonicContact OE1-CZ 3.84Å; E132-R154 IonicContact OE1-NH2 2.87Å; E132-R154 PolarHBondContact OE1-NH2 3.07Å |
| 133 | M | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111 | 179.1 | -54.5 | 174.2 | 65.4 | 0 | 0 | 109.4 | V106 L126 L138 Y141 V143 I149 | V106-M133 HydrophobicContact CG1-CB 4.11Å; V106-M133 HydrophobicContact CG2-CB 4.14Å; V106-M133 HydrophobicContact CG2-CE 4.15Å; L126-M133 HydrophobicContact CB-CB 4.16Å; L126-M133 PolarHBondContact O-N 3.16Å; M133-L138 HydrophobicContact CE-CB 4.37Å; M133-L138 HydrophobicContact CE-CD2 3.27Å; M133-L138 HydrophobicContact CE-CG 4.4Å; M133-Y141 HydrophobicContact CB-CD1 4.39Å; M133-Y141 HydrophobicContact CB-CD2 4.37Å; M133-Y141 HydrophobicContact CB-CE1 4.18Å; M133-Y141 HydrophobicContact CB-CE2 4.15Å; M133-Y141 HydrophobicContact CB-CG 4.49Å; M133-Y141 HydrophobicContact CE-CD2 3.76Å; M133-Y141 HydrophobicContact CE-CE2 4.44Å; M133-Y141 HydrophobicContact CE-CG 3.98Å; M133-Y141 HydrophobicContact CG-CD1 3.74Å; M133-Y141 HydrophobicContact CG-CD2 4.11Å; M133-Y141 HydrophobicContact CG-CE1 4Å; M133-Y141 HydrophobicContact CG-CE2 4.33Å; M133-Y141 HydrophobicContact CG-CG 3.8Å; M133-Y141 HydrophobicContact SD-CG 4.48Å; M133-V143 HydrophobicContact CE-CG2 3.82Å; M133-V143 HydrophobicContact SD-CG2 4.21Å; M133-I149 HydrophobicContact SD-CD1 4.44Å; M133-I149 HydrophobicContact SD-CG2 4.24Å |
| 134 | T | 94.2 | Very high | 95.4 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | trans | -116.3 | -36.7 | -171 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | E132 Y141 | E132-T134 HydrophobicContact CG-CG2 3.91Å; T134-Y141 PolarHBondContact N-OH 3.21Å | ||
| 135 | A | 95.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -157.9 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y141 | A135-Y141 PolarHBondContact N-OH 2.91Å; A135-Y141 VanDerWaalsContact O-CE2 3.22Å; A135-Y141 WeakPolarHBondContact O-CE2 3.49Å; A135-Y141 PolarHBondContact O-OH 2.85Å; A135-Y141 VanDerWaalsContact O-OH 3.08Å |
| 136 | G | 95.7 | Very high | 95.3 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 38% | 0.381 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 82.7 | -163.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | T105 V106 | T105-G136 CarbonylContact C-O 3.55Å; T105-G136 VanDerWaalsContact CA-O 3.28Å; T105-G136 WeakPolarHBondContact CA-O 3.39Å; T105-G136 WeakPolarHBondContact CB-O 3.49Å; V106-G136 PolarHBondContact N-O 3.09Å |
| 137 | K | 96.1 | Very high | 95.2 | Very high | 74 Ų | 74 | 60 Ų | 60 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -88.4 | 153.3 | 179.1 | -61.7 | 175 | -175.3 | 178.2 | 0 | 110.7 | E103 E104 S139 D140 Y141 | E103-K137 IonicContact OE1-NZ 2.86Å; E103-K137 WeakPolarHBondContact OE2-CE 3.44Å; E103-K137 IonicContact OE2-NZ 3.89Å; E103-K137 PolarHBondContact OE2-NZ 2.96Å; E104-K137 WeakPolarHBondContact O-CA 3.45Å; K137-S139 WeakPolarHBondContact CB-OG 2.93Å; K137-S139 PolarHBondContact O-N 3.35Å; K137-D140 PolarHBondContact N-OD2 3.26Å; K137-D140 WeakPolarHBondContact O-CB 3.37Å; K137-D140 PolarHBondContact O-N 3.36Å; K137-D140 VanDerWaalsContact O-N 3.11Å; K137-Y141 WeakPolarHBondContact O-CD2 3.32Å |
| 138 | L | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -59.3 | -32.5 | 172.4 | -59.8 | 178.7 | 0 | 0 | 0 | 111.4 | I100 E104 V106 F109 M133 D140 Y141 V143 | I100-L138 HydrophobicContact CB-CD1 3.97Å; I100-L138 HydrophobicContact CD1-CB 4.26Å; I100-L138 HydrophobicContact CD1-CD1 3.5Å; I100-L138 HydrophobicContact CG1-CD1 4.33Å; I100-L138 HydrophobicContact CG2-CD1 3.82Å; E104-L138 HydrophobicContact CB-CD1 4.18Å; E104-L138 HydrophobicContact CG-CD1 4.22Å; E104-L138 WeakPolarHBondContact O-CG 3.36Å; E104-L138 PolarHBondContact O-N 2.79Å; V106-L138 HydrophobicContact CG2-CD2 4.15Å; F109-L138 HydrophobicContact CB-CD1 4.08Å; F109-L138 HydrophobicContact CB-CD2 4.1Å; F109-L138 HydrophobicContact CD1-CD2 4.23Å; F109-L138 HydrophobicContact CD2-CD1 4.09Å; F109-L138 HydrophobicContact CG-CD1 4.01Å; F109-L138 HydrophobicContact CG-CD2 4.24Å; M133-L138 HydrophobicContact CE-CB 4.37Å; M133-L138 HydrophobicContact CE-CD2 3.27Å; M133-L138 HydrophobicContact CE-CG 4.4Å; L138-D140 VanDerWaalsContact C-N 3.32Å; L138-D140 PolarHBondContact O-N 3.43Å; L138-Y141 PolarHBondContact O-N 2.93Å; L138-V143 HydrophobicContact CB-CB 4.24Å; L138-V143 HydrophobicContact CB-CG2 4.5Å; L138-V143 WeakPolarHBondContact O-CB 3.42Å; L138-V143 WeakPolarHBondContact O-CG2 3.44Å; L138-V143 PolarHBondContact O-N 3.11Å |
| 139 | S | 93.7 | Very high | 95.3 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -65.5 | -27.6 | 176 | 51.4 | 0 | 0 | 0 | 0 | 114 | P102 K137 Y141 H142 | P102-S139 WeakPolarHBondContact O-CB 3.24Å; P102-S139 PolarHBondContact O-OG 3.33Å; K137-S139 WeakPolarHBondContact CB-OG 2.93Å; K137-S139 PolarHBondContact O-N 3.35Å; S139-Y141 PolarHBondContact O-N 3.21Å; S139-Y141 VanDerWaalsContact O-N 3.16Å; S139-H142 PolarHBondContact O-N 3.3Å |
| 140 | D | 95.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -64.9 | -17.6 | 174.7 | -59.8 | -29 | 0 | 0 | 0 | 112.4 | K137 L138 | K137-D140 PolarHBondContact N-OD2 3.26Å; K137-D140 WeakPolarHBondContact O-CB 3.37Å; K137-D140 PolarHBondContact O-N 3.36Å; K137-D140 VanDerWaalsContact O-N 3.11Å; L138-D140 VanDerWaalsContact C-N 3.32Å; L138-D140 PolarHBondContact O-N 3.43Å |
| 141 | Y | 96.2 | Very high | 95.6 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -101.7 | 8 | 174.7 | -62.4 | -91.2 | 0 | 0 | 0 | 112.8 | V106 Y128 R131 E132 M133 T134 A135 K137 L138 S139 V143 | V106-Y141 HydrophobicContact CG2-CD2 4.24Å; V106-Y141 HydrophobicContact CG2-CE2 3.69Å; Y128-Y141 VanDerWaalsContact CD1-O 3.24Å; Y128-Y141 WeakPolarHBondContact CD1-O 3.5Å; Y128-Y141 WeakPolarHBondContact CE1-O 3.44Å; R131-Y141 HydrophobicContact CG-CD1 4.02Å; R131-Y141 HydrophobicContact CG-CE1 4.09Å; E132-Y141 WeakPolarHBondContact O-CE1 3.33Å; M133-Y141 HydrophobicContact CB-CD1 4.39Å; M133-Y141 HydrophobicContact CB-CD2 4.37Å; M133-Y141 HydrophobicContact CB-CE1 4.18Å; M133-Y141 HydrophobicContact CB-CE2 4.15Å; M133-Y141 HydrophobicContact CB-CG 4.49Å; M133-Y141 HydrophobicContact CE-CD2 3.76Å; M133-Y141 HydrophobicContact CE-CE2 4.44Å; M133-Y141 HydrophobicContact CE-CG 3.98Å; M133-Y141 HydrophobicContact CG-CD1 3.74Å; M133-Y141 HydrophobicContact CG-CD2 4.11Å; M133-Y141 HydrophobicContact CG-CE1 4Å; M133-Y141 HydrophobicContact CG-CE2 4.33Å; M133-Y141 HydrophobicContact CG-CG 3.8Å; M133-Y141 HydrophobicContact SD-CG 4.48Å; T134-Y141 PolarHBondContact N-OH 3.21Å; A135-Y141 PolarHBondContact N-OH 2.91Å; A135-Y141 VanDerWaalsContact O-CE2 3.22Å; A135-Y141 WeakPolarHBondContact O-CE2 3.49Å; A135-Y141 PolarHBondContact O-OH 2.85Å; A135-Y141 VanDerWaalsContact O-OH 3.08Å; K137-Y141 WeakPolarHBondContact O-CD2 3.32Å; L138-Y141 PolarHBondContact O-N 2.93Å; S139-Y141 PolarHBondContact O-N 3.21Å; S139-Y141 VanDerWaalsContact O-N 3.16Å; Y141-V143 PolarHBondContact O-N 2.71Å |
| 142 | H | 94.9 | Very high | 95.5 | Very high | 134 Ų | 134 | 48.4 Ų | 48.4 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 32.9 | -175.6 | -50.6 | -65.4 | 0 | 0 | 0 | 113.7 | Y128 S139 V144 | Y128-H142 VanDerWaalsContact CE1-O 3.32Å; Y128-H142 WeakPolarHBondContact CE1-O 3.4Å; Y128-H142 PolarHBondContact OH-O 3.08Å; S139-H142 PolarHBondContact O-N 3.3Å; H142-V144 PolarHBondContact O-N 2.82Å |
| 143 | V | 94.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -68.7 | 121.5 | 167.2 | 178 | 0 | 0 | 0 | 0 | 108 | V86 I100 Y128 M133 L138 Y141 I149 | V86-V143 HydrophobicContact CG1-CG1 3.63Å; I100-V143 HydrophobicContact CD1-CG1 3.77Å; Y128-V143 HydrophobicContact CD1-CG2 3.81Å; Y128-V143 HydrophobicContact CD2-CG2 4.49Å; Y128-V143 HydrophobicContact CE1-CG2 4.17Å; Y128-V143 HydrophobicContact CG-CG2 3.97Å; M133-V143 HydrophobicContact CE-CG2 3.82Å; M133-V143 HydrophobicContact SD-CG2 4.21Å; L138-V143 HydrophobicContact CB-CB 4.24Å; L138-V143 HydrophobicContact CB-CG2 4.5Å; L138-V143 WeakPolarHBondContact O-CB 3.42Å; L138-V143 WeakPolarHBondContact O-CG2 3.44Å; L138-V143 PolarHBondContact O-N 3.11Å; Y141-V143 PolarHBondContact O-N 2.71Å; V143-I149 HydrophobicContact CG1-CD1 4.12Å; V143-I149 HydrophobicContact CG2-CD1 4.27Å; V143-I149 HydrophobicContact CG2-CG1 4.43Å | ||
| 144 | V | 92.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 55.7 Ų | 55.7 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -126.2 | 179.6 | -178.1 | -64.7 | 0 | 0 | 0 | 0 | 110 | V86 H142 L146 S147 | V86-V144 WeakPolarHBondContact CG1-O 3.38Å; H142-V144 PolarHBondContact O-N 2.82Å; V144-L146 PolarHBondContact O-N 2.83Å; V144-S147 WeakPolarHBondContact CG2-OG 3.44Å; V144-S147 PolarHBondContact N-OG 3.05Å; V144-S147 WeakPolarHBondContact O-CB 3.43Å; V144-S147 PolarHBondContact O-N 3.08Å; V144-S147 VanDerWaalsContact O-N 3.11Å; V144-S147 PolarHBondContact O-OG 2.93Å; V144-S147 VanDerWaalsContact O-OG 3.05Å | ||
| 145 | A | 93.3 | Very high | 93.6 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 135.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I84 Q85 S147 | I84-A145 HydrophobicContact CB-CB 4.02Å; I84-A145 HydrophobicContact CG2-CB 4.22Å; Q85-A145 CarbonylContact O-C 3.56Å; A145-S147 PolarHBondContact O-N 2.87Å |
| 146 | L | 94.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 66.7 Ų | 66.7 | 58% | 0.576 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 10 | -179.9 | -47.9 | 176.7 | 0 | 0 | 0 | 114.8 | Q85 F87 V144 | Q85-L146 PolarHBondContact O-N 3.41Å; F87-L146 WeakPolarHBondContact CD2-O 3.48Å; F87-L146 HydrophobicContact CE2-CB 3.99Å; F87-L146 HydrophobicContact CE2-CD2 3.95Å; F87-L146 HydrophobicContact CZ-CD2 3.96Å; V144-L146 PolarHBondContact O-N 2.83Å |
| 147 | S | 96.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 68.7 Ų | 68.7 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | trans | -58.5 | 142.8 | 169 | -73.5 | 0 | 0 | 0 | 0 | 111.2 | F87 Y128 V144 A145 | F87-S147 PolarHBondContact N-O 2.72Å; Y128-S147 PolarHBondContact OH-OG 3.47Å; V144-S147 WeakPolarHBondContact CG2-OG 3.44Å; V144-S147 PolarHBondContact N-OG 3.05Å; V144-S147 WeakPolarHBondContact O-CB 3.43Å; V144-S147 PolarHBondContact O-N 3.08Å; V144-S147 VanDerWaalsContact O-N 3.11Å; V144-S147 PolarHBondContact O-OG 2.93Å; V144-S147 VanDerWaalsContact O-OG 3.05Å; A145-S147 PolarHBondContact O-N 2.87Å | ||
| 148 | T | 97.8 | Very high | 88.5 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.2 | 171.5 | -57.4 | 0 | 0 | 0 | 0 | 110 | F87 R89 Y128 | F87-T148 HydrophobicContact CB-CG2 4.3Å; F87-T148 CarbonylContact O-C 3.59Å; F87-T148 WeakPolarHBondContact O-CA 3.36Å; R89-T148 HydrophobicContact CB-CG2 3.96Å; Y128-T148 WeakPolarHBondContact CD2-O 3.47Å |
| 149 | I | 97.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.8 | 172.6 | -57.7 | 169.8 | 0 | 0 | 0 | 107.6 | V86 F87 L88 R89 F109 L126 Y128 M133 V143 | V86-I149 HydrophobicContact CG2-CD1 4.48Å; F87-I149 PolarHBondContact O-N 2.86Å; L88-I149 CarbonylContact C-O 3.6Å; L88-I149 WeakPolarHBondContact CA-O 3.32Å; L88-I149 HydrophobicContact CD1-CB 4.14Å; L88-I149 HydrophobicContact CD1-CG2 4.03Å; R89-I149 PolarHBondContact N-O 2.71Å; F109-I149 HydrophobicContact CE1-CD1 3.85Å; F109-I149 HydrophobicContact CZ-CD1 4.12Å; L126-I149 HydrophobicContact CB-CG2 4.1Å; L126-I149 HydrophobicContact CD2-CG2 4.24Å; Y128-I149 HydrophobicContact CD2-CG1 4.42Å; M133-I149 HydrophobicContact SD-CD1 4.44Å; M133-I149 HydrophobicContact SD-CG2 4.24Å; V143-I149 HydrophobicContact CG1-CD1 4.12Å; V143-I149 HydrophobicContact CG2-CD1 4.27Å; V143-I149 HydrophobicContact CG2-CG1 4.43Å |
| 150 | D | 97.9 | Very high | 87.8 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 30% | 0.299 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.8 | 174.7 | -64.2 | -61.5 | 0 | 0 | 0 | 110 | R89 L126 V127 | R89-D150 CarbonylContact O-C 3.54Å; R89-D150 WeakPolarHBondContact O-CA 3.46Å; L126-D150 CarbonylContact C-O 3.53Å; L126-D150 WeakPolarHBondContact CA-O 3.46Å; V127-D150 HydrophobicContact CB-CB 4.49Å; V127-D150 PolarHBondContact N-O 3.12Å; V127-D150 PolarHBondContact O-N 3.33Å |
| 151 | L | 96.6 | Very high | 87.4 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.026 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110 | 170.2 | 171.9 | 64.3 | 0 | 0 | 0 | 109 | L88 R89 N90 E91 V113 E117 V119 Q124 L126 | L88-L151 HydrophobicContact CD1-CB 4.05Å; L88-L151 HydrophobicContact CD2-CB 4.34Å; L88-L151 HydrophobicContact CD2-CD2 4.2Å; L88-L151 HydrophobicContact CG-CB 4.14Å; R89-L151 PolarHBondContact O-N 2.91Å; N90-L151 HydrophobicContact CB-CD2 4.48Å; E91-L151 WeakPolarHBondContact CG-O 3.2Å; E91-L151 PolarHBondContact N-O 2.86Å; V113-L151 HydrophobicContact CG1-CD1 4.4Å; V113-L151 HydrophobicContact CG1-CD2 3.85Å; E117-L151 HydrophobicContact CB-CD2 4.4Å; E117-L151 HydrophobicContact CG-CD2 4.39Å; V119-L151 HydrophobicContact CG2-CD2 4.39Å; Q124-L151 HydrophobicContact CB-CD1 3.91Å; Q124-L151 HydrophobicContact CG-CD1 3.95Å; L126-L151 HydrophobicContact CD2-CB 4.37Å; L126-L151 HydrophobicContact CD2-CD1 3.89Å |
| 152 | L | 94.1 | Very high | 86.9 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 32% | 0.319 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 153.7 | 170.5 | -53.7 | 177.2 | 0 | 0 | 0 | 109.8 | E91 R125 V127 | E91-L152 HydrophobicContact CG-CD2 4.37Å; R125-L152 WeakPolarHBondContact CA-O 3.22Å; R125-L152 HydrophobicContact CB-CB 4.11Å; R125-L152 WeakPolarHBondContact CB-O 3.4Å; R125-L152 HydrophobicContact CG-CB 4.49Å; R125-L152 PolarHBondContact N-O 3.31Å; R125-L152 PolarHBondContact O-N 3.5Å; V127-L152 HydrophobicContact CG2-CD1 4.02Å |
| 153 | M | 89.5 | Confident | 86.4 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 47% | 0.468 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 138.9 | 174.3 | -64.4 | -161.4 | -72.1 | 0 | 0 | 110.1 | E91 Q123 | E91-M153 WeakPolarHBondContact OE1-CB 3.4Å; E91-M153 PolarHBondContact OE1-N 2.83Å; E91-M153 WeakPolarHBondContact OE2-CE 3.48Å; Q123-M153 WeakPolarHBondContact O-CA 3.45Å |
| 154 | R | 84.9 | Confident | 85.8 | Confident | 109 Ų | 109 | 82 Ų | 82 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 128.3 | 164 | -66.1 | -174.7 | 175.8 | 141.6 | -4.8 | 109.1 | S122 Q123 R125 E132 R156 | S122-R154 PolarHBondContact O-NH1 3.42Å; Q123-R154 PolarHBondContact O-N 3.17Å; R125-R154 HydrophobicContact CB-CG 4.31Å; E132-R154 IonicContact OE1-CZ 3.84Å; E132-R154 IonicContact OE1-NH2 2.87Å; E132-R154 PolarHBondContact OE1-NH2 3.07Å; R154-R156 PolarHBondContact O-N 2.75Å |
| 155 | L | 72.8 | Confident | 85.3 | Confident | 169 Ų | 169 | 82.1 Ų | 82.1 | 89% | 0.885 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 134 | 171.4 | -62.8 | 174.7 | 0 | 0 | 0 | 109 | G157 | L155-G157 PolarHBondContact O-N 3.36Š|
| 156 | R | 71.6 | Confident | 84.7 | Confident | 201 Ų | 201 | 84.1 Ų | 84.1 | 76% | 0.758 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 120.8 | 169.3 | -67.9 | -178 | 178.2 | 137 | 3.7 | 107.6 | Q123 R154 | Q123-R156 VanDerWaalsContact NE2-CZ 3.26Å; R154-R156 PolarHBondContact O-N 2.75Å |
| 157 | G | 60.4 | Low | 83.9 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -70 | 122.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | L155 | L155-G157 PolarHBondContact O-N 3.36Š|
| 158 | G | 46.4 | Very low | 82.7 | Confident | 154 Ų | 154 | 88.5 Ų | 88.5 | 100% | 1.588 | 53% | 0.532 | S | S | * | . | trans | -73.7 | 0 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 158 of 158 residues in 32.5 ms
(Link to these results)