| 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 | 69.5 | Low | 91.1 | Very high | 161 Ų | 161 | 74.4 Ų | 74.4 | 79% | 0.793 | 37% | 0.374 | S | S | * | . | 0 | 143.8 | 0 | -83.4 | -179.6 | 166.3 | 0 | 0 | 109 | T50 I52 L119 | M1-T50 HydrophobicContact CE-CG2 4.25Å; M1-I52 HydrophobicContact CB-CD1 3.81Å; M1-I52 HydrophobicContact CB-CG1 4.1Å; M1-I52 HydrophobicContact CG-CD1 4.45Å; M1-I52 HydrophobicContact SD-CD1 3.84Å; M1-I52 HydrophobicContact SD-CG1 3.96Å; M1-L119 HydrophobicContact CE-CD1 3.95Å; M1-L119 HydrophobicContact SD-CD1 3.69Å | |||
| 2 | N | 88.4 | Confident | 91.4 | Very high | 110 Ų | 110 | 78.7 Ų | 78.7 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 145.1 | 179.2 | -66 | -20.3 | 0 | 0 | 0 | 110.6 | C51 I52 | N2-C51 CarbonylContact O-C 3.6Å; N2-C51 VanDerWaalsContact O-CA 3.28Å; N2-C51 WeakPolarHBondContact O-CA 3.28Å; N2-C51 VanDerWaalsContact O-CB 3.24Å; N2-C51 WeakPolarHBondContact O-CB 3.24Å; N2-I52 PolarHBondContact O-N 3.3Å |
| 3 | K | 94.1 | Very high | 91.6 | Very high | 147 Ų | 147 | 81.1 Ų | 81.1 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -75.8 | 149.5 | 172.9 | -68.2 | -176.5 | 179.3 | 179.2 | 0 | 110.2 | T5 I52 | K3-T5 PolarHBondContact O-N 3.47Å; K3-I52 CarbonylContact C-O 3.51Å; K3-I52 VanDerWaalsContact CA-O 3.28Å; K3-I52 WeakPolarHBondContact CA-O 3.25Å |
| 4 | L | 94.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 116.9 | 168.4 | -178.5 | 58.6 | 0 | 0 | 0 | 108.9 | K8 F9 I48 I52 W57 I115 L120 | L4-K8 HydrophobicContact CD1-CB 3.94Å; L4-F9 HydrophobicContact CD1-CE2 3.94Å; L4-F9 HydrophobicContact CD1-CZ 4Å; L4-F9 HydrophobicContact CD2-CZ 4.27Å; L4-F9 HydrophobicContact CG-CE2 4.41Å; L4-F9 HydrophobicContact CG-CZ 4.39Å; L4-I48 HydrophobicContact CD1-CG2 4.01Å; L4-I52 PolarHBondContact N-O 2.95Å; L4-W57 HydrophobicContact CD2-CD2 4.32Å; L4-W57 HydrophobicContact CD2-CG 4.04Å; L4-I115 HydrophobicContact CD2-CD1 4.08Å; L4-I115 HydrophobicContact CD2-CG2 3.92Å; L4-L120 HydrophobicContact CD2-CD2 4.49Å |
| 5 | T | 93.8 | Very high | 92 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 36% | 0.356 | 38% | 0.375 | S | S | . | . | trans | -136.2 | 166.2 | 176.9 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | K3 D7 K8 | K3-T5 PolarHBondContact O-N 3.47Å; T5-D7 WeakPolarHBondContact CB-OD1 3.15Å; T5-D7 PolarHBondContact O-N 2.75Å; T5-D7 VanDerWaalsContact O-N 3.14Å; T5-D7 PolarHBondContact OG1-OD1 3.22Å; T5-K8 WeakPolarHBondContact O-CB 3.43Å; T5-K8 PolarHBondContact O-N 3.15Å | ||
| 6 | I | 91.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 75.3 Ų | 75.3 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -54.4 | -35.5 | -175.4 | -67.7 | -60.8 | 0 | 0 | 0 | 112.8 | K8 F9 W57 A164 T178 F180 | I6-K8 PolarHBondContact O-N 2.67Å; I6-K8 VanDerWaalsContact O-N 3.15Å; I6-F9 HydrophobicContact CD1-CE2 4.5Å; I6-F9 PolarHBondContact O-N 3.04Å; I6-W57 HydrophobicContact CD1-CH2 3.86Å; I6-W57 HydrophobicContact CD1-CZ3 3.48Å; I6-W57 VanDerWaalsContact CD1-CZ3 3.48Å; I6-W57 HydrophobicContact CG1-CH2 4.32Å; I6-W57 HydrophobicContact CG1-CZ3 4.42Å; I6-A164 HydrophobicContact CD1-CB 4.1Å; I6-T178 HydrophobicContact CD1-CG2 3.83Å; I6-T178 WeakPolarHBondContact CD1-OG1 3.27Å; I6-T178 HydrophobicContact CG1-CG2 4.06Å; I6-T178 HydrophobicContact CG2-CG2 3.84Å; I6-F180 HydrophobicContact CD1-CZ 4.14Å; I6-F180 HydrophobicContact CG2-CE1 3.62Å; I6-F180 HydrophobicContact CG2-CZ 3.93Å |
| 7 | D | 92.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 74.8 Ų | 74.8 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -67.3 | -10.3 | 178.4 | 62.3 | -71.1 | 0 | 0 | 0 | 114.3 | T5 H10 | T5-D7 WeakPolarHBondContact CB-OD1 3.15Å; T5-D7 PolarHBondContact O-N 2.75Å; T5-D7 VanDerWaalsContact O-N 3.14Å; T5-D7 PolarHBondContact OG1-OD1 3.22Å; D7-H10 PolarHBondContact O-CE1 2.6Å; D7-H10 VanDerWaalsContact O-CE1 3.3Å |
| 8 | K | 94.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 72.4 Ų | 72.4 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -87.5 | -10.7 | 176.6 | -56.7 | -53.3 | 177.8 | -137.7 | 0 | 113.7 | L4 T5 I6 H10 P49 | L4-K8 HydrophobicContact CD1-CB 3.94Å; T5-K8 WeakPolarHBondContact O-CB 3.43Å; T5-K8 PolarHBondContact O-N 3.15Å; I6-K8 PolarHBondContact O-N 2.67Å; I6-K8 VanDerWaalsContact O-N 3.15Å; K8-H10 PolarHBondContact O-CD2 3.14Å; K8-H10 PolarHBondContact O-N 2.93Å; K8-P49 HydrophobicContact CB-CG 4.23Å; K8-P49 HydrophobicContact CD-CG 4.06Å; K8-P49 WeakPolarHBondContact O-CD 3.21Å |
| 9 | F | 94.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 69.8 Ų | 69.8 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | trans | -84.6 | 94.6 | 172 | -63.1 | -85.9 | 0 | 0 | 0 | 108.7 | L4 I6 V11 I46 I48 W57 I59 I115 A164 F180 | L4-F9 HydrophobicContact CD1-CE2 3.94Å; L4-F9 HydrophobicContact CD1-CZ 4Å; L4-F9 HydrophobicContact CD2-CZ 4.27Å; L4-F9 HydrophobicContact CG-CE2 4.41Å; L4-F9 HydrophobicContact CG-CZ 4.39Å; I6-F9 HydrophobicContact CD1-CE2 4.5Å; I6-F9 PolarHBondContact O-N 3.04Å; F9-V11 PolarHBondContact O-N 3.32Å; F9-I46 HydrophobicContact CB-CG2 4.31Å; F9-I48 HydrophobicContact CD1-CD1 3.66Å; F9-I48 HydrophobicContact CD1-CG1 3.97Å; F9-I48 HydrophobicContact CE1-CD1 3.58Å; F9-I48 HydrophobicContact CE1-CG1 4.36Å; F9-W57 HydrophobicContact CE2-CE3 4.03Å; F9-W57 HydrophobicContact CE2-CZ3 4.03Å; F9-W57 HydrophobicContact CZ-CD2 4.38Å; F9-W57 AromaticContact CZ-CE3 4Å; F9-W57 HydrophobicContact CZ-CE3 4Å; F9-W57 HydrophobicContact CZ-CZ3 4.47Å; F9-I59 HydrophobicContact CB-CD1 4.17Å; F9-I59 HydrophobicContact CD1-CB 4.38Å; F9-I59 HydrophobicContact CD1-CD1 3.3Å; F9-I59 HydrophobicContact CD1-CG1 4.43Å; F9-I59 HydrophobicContact CE1-CB 4.02Å; F9-I59 HydrophobicContact CE1-CD1 3.81Å; F9-I59 HydrophobicContact CE1-CG2 4.15Å; F9-I59 HydrophobicContact CG-CD1 3.91Å; F9-I115 HydrophobicContact CE1-CD1 3.68Å; F9-I115 HydrophobicContact CZ-CD1 3.98Å; F9-A164 HydrophobicContact CE2-CB 4.29Å; F9-A164 HydrophobicContact CZ-CB 4.33Å; F9-F180 HydrophobicContact CB-CE1 3.85Å; F9-F180 HydrophobicContact CB-CE2 4.4Å; F9-F180 HydrophobicContact CB-CZ 3.61Å; F9-F180 AromaticContact CD2-CZ 3.75Å; F9-F180 HydrophobicContact CD2-CZ 3.75Å; F9-F180 HydrophobicContact CG-CE2 4.49Å; F9-F180 AromaticContact CG-CZ 3.82Å; F9-F180 HydrophobicContact CG-CZ 3.82Å | ||
| 10 | H | 94.8 | Very high | 92.4 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 96.7 | 179.1 | -59.3 | -65.7 | 0 | 0 | 0 | 109.9 | D7 K8 K12 I46 D47 | D7-H10 PolarHBondContact O-CE1 2.6Å; D7-H10 VanDerWaalsContact O-CE1 3.3Å; K8-H10 PolarHBondContact O-CD2 3.14Å; K8-H10 PolarHBondContact O-N 2.93Å; H10-K12 PolarHBondContact O-N 2.85Å; H10-K12 VanDerWaalsContact O-N 3.08Å; H10-I46 CarbonylContact O-C 3.57Å; H10-I46 WeakPolarHBondContact O-CA 3.43Å; H10-D47 HydrophobicContact CB-CB 4.22Å; H10-D47 WeakPolarHBondContact CB-O 2.97Å; H10-D47 PolarHBondContact N-O 2.51Å; H10-D47 PolarHBondContact O-N 2.88Å |
| 11 | V | 93.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 75.7 Ų | 75.7 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 105 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | F9 I14 V44 L162 | F9-V11 PolarHBondContact O-N 3.32Å; V11-I14 HydrophobicContact CG1-CD1 3.76Å; V11-I14 HydrophobicContact CG1-CG1 3.59Å; V11-V44 HydrophobicContact CG1-CG1 4.25Å; V11-L162 HydrophobicContact CG1-CD2 4.28Å; V11-L162 HydrophobicContact CG2-CD2 3.6Å |
| 12 | K | 94.9 | Very high | 93.6 | Very high | 126 Ų | 126 | 69.6 Ų | 69.6 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -44 | -178.9 | -79.5 | 179.2 | 159 | 169.1 | 0 | 112.2 | H10 E45 D47 | H10-K12 PolarHBondContact O-N 2.85Å; H10-K12 VanDerWaalsContact O-N 3.08Å; K12-E45 HydrophobicContact CB-CB 4.13Å; K12-E45 PolarHBondContact N-O 2.89Å; K12-D47 HydrophobicContact CD-CB 4.36Å; K12-D47 VanDerWaalsContact CE-OD1 3.28Å; K12-D47 WeakPolarHBondContact CE-OD1 3.28Å; K12-D47 WeakPolarHBondContact CE-OD2 3.28Å; K12-D47 IonicContact NZ-OD1 2.67Å; K12-D47 PolarHBondContact NZ-OD1 3.29Å; K12-D47 IonicContact NZ-OD2 2.78Å; K12-D47 PolarHBondContact NZ-OD2 3.05Å |
| 13 | R | 94.8 | Very high | 93.8 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 139 | -171.4 | -172.1 | 167.1 | 72.4 | 144.3 | 7.5 | 109.9 | R15 V44 E45 | R13-R15 HydrophobicContact CG-CG 4.09Å; R13-V44 WeakPolarHBondContact O-CA 3.3Å; R13-E45 HydrophobicContact CB-CB 4.1Å; R13-E45 HydrophobicContact CB-CG 4.06Å; R13-E45 IonicContact CZ-OE1 2.75Å; R13-E45 PolarHBondContact N-O 3.38Å; R13-E45 IonicContact NE-OE1 3.66Å; R13-E45 PolarHBondContact NE-OE1 3.28Å; R13-E45 IonicContact NE-OE2 3.14Å; R13-E45 IonicContact NH2-OE1 3.47Å; R13-E45 PolarHBondContact NH2-OE1 2.86Å; R13-E45 PolarHBondContact O-N 2.9Å |
| 14 | I | 94.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.2 | 167.1 | -61.2 | -176.1 | 0 | 0 | 0 | 106.4 | V11 E43 V44 K181 I183 L216 | V11-I14 HydrophobicContact CG1-CD1 3.76Å; V11-I14 HydrophobicContact CG1-CG1 3.59Å; I14-E43 CarbonylContact C-O 3.5Å; I14-E43 WeakPolarHBondContact CA-O 3.34Å; I14-V44 HydrophobicContact CG1-CG1 4.18Å; I14-V44 HydrophobicContact CG1-CG2 4.08Å; I14-V44 HydrophobicContact CG2-CG2 4.29Å; I14-K181 HydrophobicContact CD1-CB 3.67Å; I14-K181 HydrophobicContact CD1-CD 3.99Å; I14-K181 HydrophobicContact CD1-CG 3.51Å; I14-I183 HydrophobicContact CG2-CD1 3.54Å; I14-I183 HydrophobicContact CG2-CG1 4.39Å; I14-L216 HydrophobicContact CB-CD2 4.08Å; I14-L216 HydrophobicContact CG2-CD2 3.77Å |
| 15 | R | 93.9 | Very high | 94 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.6 | 171.3 | -65.6 | 178.1 | 69.9 | -145.4 | 6 | 107.9 | R13 Y17 C42 E43 | R13-R15 HydrophobicContact CG-CG 4.09Å; R15-Y17 HydrophobicContact CB-CD1 4.22Å; R15-Y17 HydrophobicContact CB-CE1 4.31Å; R15-C42 CarbonylContact O-C 3.6Å; R15-C42 WeakPolarHBondContact O-CA 3.28Å; R15-E43 HydrophobicContact CB-CB 4.49Å; R15-E43 IonicContact CZ-OE2 3.76Å; R15-E43 PolarHBondContact N-O 2.82Å; R15-E43 IonicContact NH1-OE2 3.94Å; R15-E43 PolarHBondContact NH1-OE2 3.08Å; R15-E43 PolarHBondContact O-N 3.42Å |
| 16 | A | 94.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 132.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F40 Y41 C42 I183 V214 | A16-F40 HydrophobicContact CB-CE2 4.24Å; A16-F40 HydrophobicContact CB-CZ 3.96Å; A16-Y41 CarbonylContact C-O 3.56Å; A16-Y41 WeakPolarHBondContact CA-O 3.12Å; A16-C42 HydrophobicContact CB-CB 4.13Å; A16-I183 HydrophobicContact CB-CG2 4.03Å; A16-V214 HydrophobicContact CB-CB 4.03Å; A16-V214 HydrophobicContact CB-CG1 3.35Å; A16-V214 HydrophobicContact CB-CG2 4.17Å; A16-V214 WeakPolarHBondContact O-CG2 3.31Å |
| 17 | Y | 94.3 | Very high | 94.4 | Very high | 66 Ų | 66 | 70.8 Ų | 70.8 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 157.1 | -167.3 | 60.3 | -85.3 | 0 | 0 | 0 | 110.9 | R15 Y41 E43 | R15-Y17 HydrophobicContact CB-CD1 4.22Å; R15-Y17 HydrophobicContact CB-CE1 4.31Å; Y17-Y41 HydrophobicContact CE2-CD2 4.04Å; Y17-Y41 HydrophobicContact CE2-CG 4.34Å; Y17-Y41 PolarHBondContact N-O 3.4Å; Y17-Y41 PolarHBondContact O-N 3.44Å; Y17-E43 HydrophobicContact CE1-CG 4.4Å |
| 18 | Y | 94.7 | Very high | 94.6 | Very high | 32 Ų | 32 | 67.7 Ų | 67.7 | 13% | 0.125 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136 | 165 | -53 | -85.1 | 0 | 0 | 0 | 108.5 | D20 F40 W185 E186 Y187 Q210 V214 | Y18-D20 PolarHBondContact O-N 2.88Å; Y18-F40 HydrophobicContact CD1-CB 4.28Å; Y18-F40 HydrophobicContact CD1-CD2 4.17Å; Y18-F40 HydrophobicContact CE1-CB 4.43Å; Y18-F40 AromaticContact CE1-CD2 3.96Å; Y18-F40 HydrophobicContact CE1-CD2 3.96Å; Y18-W185 AromaticContact CE1-CE3 3.96Å; Y18-W185 HydrophobicContact CE1-CE3 3.96Å; Y18-W185 HydrophobicContact CE1-CZ3 4.39Å; Y18-E186 PolarHBondContact OH-N 2.97Å; Y18-E186 PolarHBondContact OH-O 3.24Å; Y18-Y187 HydrophobicContact CD1-CD2 4.35Å; Y18-Y187 HydrophobicContact CD1-CE2 4.39Å; Y18-Y187 AromaticContact CE1-CD2 3.96Å; Y18-Y187 HydrophobicContact CE1-CD2 3.96Å; Y18-Y187 HydrophobicContact CE1-CE2 4.44Å; Y18-Q210 HydrophobicContact CD1-CB 4.13Å; Y18-Q210 HydrophobicContact CD1-CG 3.78Å; Y18-Q210 HydrophobicContact CD2-CB 3.67Å; Y18-Q210 HydrophobicContact CD2-CG 4.26Å; Y18-Q210 HydrophobicContact CE1-CB 4.14Å; Y18-Q210 HydrophobicContact CE1-CG 3.87Å; Y18-Q210 HydrophobicContact CE2-CB 3.71Å; Y18-Q210 HydrophobicContact CE2-CG 4.37Å; Y18-Q210 HydrophobicContact CG-CB 3.91Å; Y18-Q210 HydrophobicContact CG-CG 4Å; Y18-V214 HydrophobicContact CE2-CG2 4.22Å |
| 19 | D | 93.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 67.7 Ų | 67.7 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | trans | -73 | 105 | 178.6 | -174 | -9.5 | 0 | 0 | 0 | 109.8 | T21 T22 Q38 T39 Y41 | D19-T21 PolarHBondContact O-N 3Å; D19-T21 WeakPolarHBondContact OD1-CB 3.41Å; D19-T21 PolarHBondContact OD1-N 3.08Å; D19-T21 PolarHBondContact OD1-OG1 2.87Å; D19-T21 PolarHBondContact OD2-OG1 2.76Å; D19-T22 HydrophobicContact CB-CG2 4.21Å; D19-T22 PolarHBondContact O-N 3.14Å; D19-T22 VanDerWaalsContact O-N 3.07Å; D19-T22 PolarHBondContact O-OG1 3.46Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.43Å; D19-Q38 WeakPolarHBondContact O-CG 3.28Å; D19-Q38 PolarHBondContact O-NE2 2.82Å; D19-T39 WeakPolarHBondContact CB-O 3.33Å; D19-T39 PolarHBondContact N-O 2.85Å; D19-Y41 HydrophobicContact CB-CD2 3.98Å; D19-Y41 HydrophobicContact CB-CE2 3.83Å | ||
| 20 | D | 90.9 | Very high | 94.5 | Very high | 145 Ų | 145 | 74.1 Ų | 74.1 | 78% | 0.775 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -7.7 | -179.5 | 63.7 | -11.7 | 0 | 0 | 0 | 113.3 | Y18 | Y18-D20 PolarHBondContact O-N 2.88Š|
| 21 | T | 93.4 | Very high | 94.4 | Very high | 118 Ų | 118 | 73.2 Ų | 73.2 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -11.2 | 170.9 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | D19 | D19-T21 PolarHBondContact O-N 3Å; D19-T21 WeakPolarHBondContact OD1-CB 3.41Å; D19-T21 PolarHBondContact OD1-N 3.08Å; D19-T21 PolarHBondContact OD1-OG1 2.87Å; D19-T21 PolarHBondContact OD2-OG1 2.76Å |
| 22 | T | 93.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 20% | 0.202 | 37% | 0.369 | C | S | . | . | trans | -107.7 | 150.4 | 176 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | D19 Q38 T39 | D19-T22 HydrophobicContact CB-CG2 4.21Å; D19-T22 PolarHBondContact O-N 3.14Å; D19-T22 VanDerWaalsContact O-N 3.07Å; D19-T22 PolarHBondContact O-OG1 3.46Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.43Å; T22-Q38 PolarHBondContact O-NE2 3.06Å; T22-Q38 WeakPolarHBondContact OG1-CG 3.48Å; T22-T39 PolarHBondContact OG1-N 2.9Å | ||
| 23 | S | 93.2 | Very high | 94.5 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | trans | -136.4 | 165.8 | 172.4 | 58.5 | 0 | 0 | 0 | 0 | 109.1 | E25 | S23-E25 PolarHBondContact O-N 2.88Š| ||
| 24 | T | 96.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 8% | 0.08 | 33% | 0.332 | C | S | . | . | trans | -58.3 | 115.5 | 170.8 | -71.6 | 0 | 0 | 0 | 0 | 110.9 | I26 Y35 K36 I206 D208 | T24-I26 HydrophobicContact CG2-CG2 4.17Å; T24-Y35 HydrophobicContact CG2-CD2 4.39Å; T24-K36 CarbonylContact C-O 3.56Å; T24-K36 WeakPolarHBondContact CA-O 3.22Å; T24-I206 HydrophobicContact CG2-CD1 4.11Å; T24-I206 HydrophobicContact CG2-CG2 4.19Å; T24-D208 WeakPolarHBondContact CB-OD2 3.35Å; T24-D208 PolarHBondContact N-OD2 3.04Å; T24-D208 PolarHBondContact OG1-OD2 3Å | ||
| 25 | E | 96.6 | Very high | 94.7 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142.6 | 172.9 | -67.1 | 166.2 | 179.8 | 0 | 0 | 108.7 | S23 Y35 K36 | S23-E25 PolarHBondContact O-N 2.88Å; E25-Y35 CarbonylContact O-C 3.6Å; E25-Y35 WeakPolarHBondContact O-CA 3.35Å; E25-Y35 WeakPolarHBondContact O-CB 3.5Å; E25-K36 HydrophobicContact CB-CB 4.41Å; E25-K36 PolarHBondContact N-O 3.04Å; E25-K36 PolarHBondContact O-N 3.48Å; E25-K36 IonicContact OE2-NZ 2.94Å |
| 26 | I | 97 | Very high | 94.9 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 36% | 0.359 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.6 | 179.4 | 62.4 | 98.9 | 0 | 0 | 0 | 111 | T24 E28 L33 H34 I203 I206 | T24-I26 HydrophobicContact CG2-CG2 4.17Å; I26-E28 HydrophobicContact CD1-CG 4.2Å; I26-L33 HydrophobicContact CB-CD1 4.1Å; I26-L33 HydrophobicContact CG2-CD1 4.47Å; I26-H34 CarbonylContact C-O 3.54Å; I26-H34 WeakPolarHBondContact CA-O 3.48Å; I26-I203 HydrophobicContact CD1-CG1 3.98Å; I26-I203 HydrophobicContact CG1-CG1 4.38Å; I26-I206 HydrophobicContact CG2-CD1 3.73Å |
| 27 | E | 96.7 | Very high | 95 | Very high | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 117.4 | 171.8 | 178.8 | 179 | -174.1 | 0 | 0 | 108.5 | H34 | E27-H34 HydrophobicContact CB-CB 4.26Å; E27-H34 PolarHBondContact N-O 3.12Å; E27-H34 PolarHBondContact O-N 3.27Å |
| 28 | E | 96.7 | Very high | 95 | Very high | 27 Ų | 27 | 57 Ų | 57 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.7 | 175.8 | -60.8 | -171.1 | -155.3 | 0 | 0 | 109.8 | I26 L33 W139 L199 G200 S201 R202 I203 | I26-E28 HydrophobicContact CD1-CG 4.2Å; E28-L33 HydrophobicContact CG-CD1 4.06Å; E28-W139 HydrophobicContact CB-CZ2 3.95Å; E28-W139 HydrophobicContact CG-CH2 4.02Å; E28-W139 HydrophobicContact CG-CZ2 3.88Å; E28-L199 HydrophobicContact CB-CD1 3.59Å; E28-L199 HydrophobicContact CB-CG 4.15Å; E28-G200 VanDerWaalsContact CD-N 3.3Å; E28-G200 PolarHBondContact OE2-N 2.87Å; E28-S201 PolarHBondContact OE1-N 3.46Å; E28-R202 PolarHBondContact OE1-N 2.82Å; E28-R202 WeakPolarHBondContact OE2-CB 3.25Å; E28-R202 WeakPolarHBondContact OE2-CG 3.35Å; E28-I203 PolarHBondContact OE1-N 2.85Å |
| 29 | T | 94.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | trans | -111.3 | 171.5 | 169.4 | 68.4 | 0 | 0 | 0 | 0 | 110 | S31 M32 W139 L199 | T29-S31 PolarHBondContact O-N 2.94Å; T29-S31 VanDerWaalsContact O-N 3.13Å; T29-M32 PolarHBondContact N-O 3.18Å; T29-M32 PolarHBondContact OG1-N 2.97Å; T29-M32 PolarHBondContact OG1-O 3.02Å; T29-W139 PolarHBondContact O-NE1 3.07Å; T29-L199 WeakPolarHBondContact O-CD1 3.48Å | ||
| 30 | D | 92.2 | Very high | 95.2 | Very high | 145 Ų | 145 | 54.5 Ų | 54.5 | 78% | 0.775 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -57.6 | -30.8 | -179.7 | -70.8 | -32.6 | 0 | 0 | 0 | 113.4 | ||
| 31 | S | 91.2 | Very high | 95.4 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -111.2 | -24.1 | -173.9 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | T29 W139 | T29-S31 PolarHBondContact O-N 2.94Å; T29-S31 VanDerWaalsContact O-N 3.13Å; S31-W139 VanDerWaalsContact O-CD1 3.23Å; S31-W139 PolarHBondContact O-N 2.87Å |
| 32 | M | 94.5 | Very high | 95.5 | Very high | 30 Ų | 30 | 44 Ų | 44 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.2 | -172.3 | -50.8 | -168.9 | -170.3 | 0 | 0 | 113.7 | T29 V137 V138 W139 I292 | T29-M32 PolarHBondContact N-O 3.18Å; T29-M32 PolarHBondContact OG1-N 2.97Å; T29-M32 PolarHBondContact OG1-O 3.02Å; M32-V137 CarbonylContact C-O 3.52Å; M32-V137 WeakPolarHBondContact CA-O 3.07Å; M32-V137 WeakPolarHBondContact CB-O 3.31Å; M32-V138 HydrophobicContact CE-CG1 3.82Å; M32-V138 HydrophobicContact CG-CG1 3.98Å; M32-V138 HydrophobicContact SD-CG1 4.03Å; M32-W139 VanDerWaalsContact C-CE2 3.49Å; M32-W139 VanDerWaalsContact N-CD1 3.29Å; M32-W139 PolarHBondContact O-NE1 2.89Å; M32-I292 HydrophobicContact CE-CD1 4.3Å; M32-I292 HydrophobicContact CE-CG1 4.36Å; M32-I292 HydrophobicContact SD-CG1 4.44Å |
| 33 | L | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.9 | 160.2 | 180 | 65.5 | 0 | 0 | 0 | 109.1 | I26 E28 Y35 S136 V137 W139 I152 I203 | I26-L33 HydrophobicContact CB-CD1 4.1Å; I26-L33 HydrophobicContact CG2-CD1 4.47Å; E28-L33 HydrophobicContact CG-CD1 4.06Å; L33-Y35 HydrophobicContact CD2-CD1 4.29Å; L33-Y35 HydrophobicContact CG-CD1 4.5Å; L33-S136 WeakPolarHBondContact O-CA 3.39Å; L33-V137 PolarHBondContact N-O 2.65Å; L33-V137 PolarHBondContact O-N 2.63Å; L33-W139 HydrophobicContact CB-CH2 3.57Å; L33-W139 HydrophobicContact CB-CZ2 3.84Å; L33-W139 HydrophobicContact CB-CZ3 3.95Å; L33-W139 HydrophobicContact CD1-CH2 3.95Å; L33-W139 HydrophobicContact CD1-CZ2 4.4Å; L33-W139 HydrophobicContact CD2-CH2 4.47Å; L33-W139 HydrophobicContact CG-CH2 4.19Å; L33-I152 HydrophobicContact CD2-CD1 3.52Å; L33-I203 HydrophobicContact CD1-CD1 3.86Å; L33-I203 HydrophobicContact CD1-CG1 4.1Å; L33-I203 HydrophobicContact CD2-CD1 3.69Å; L33-I203 HydrophobicContact CG-CD1 4.41Å |
| 34 | H | 97.3 | Very high | 95.8 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139 | 161.6 | -52.6 | -82.5 | 0 | 0 | 0 | 108.1 | I26 E27 S136 | I26-H34 CarbonylContact C-O 3.54Å; I26-H34 WeakPolarHBondContact CA-O 3.48Å; E27-H34 HydrophobicContact CB-CB 4.26Å; E27-H34 PolarHBondContact N-O 3.12Å; E27-H34 PolarHBondContact O-N 3.27Å; H34-S136 PolarHBondContact CE1-OG 2.86Å; H34-S136 PolarHBondContact ND1-OG 2.97Å |
| 35 | Y | 97.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.1 | 169.8 | 67.9 | -92.3 | 0 | 0 | 0 | 110.7 | T24 E25 L33 T37 H134 P135 V137 I152 L189 I191 | T24-Y35 HydrophobicContact CG2-CD2 4.39Å; E25-Y35 CarbonylContact O-C 3.6Å; E25-Y35 WeakPolarHBondContact O-CA 3.35Å; E25-Y35 WeakPolarHBondContact O-CB 3.5Å; L33-Y35 HydrophobicContact CD2-CD1 4.29Å; L33-Y35 HydrophobicContact CG-CD1 4.5Å; Y35-T37 HydrophobicContact CD2-CG2 3.72Å; Y35-T37 HydrophobicContact CE2-CG2 3.59Å; Y35-H134 CarbonylContact O-C 3.59Å; Y35-H134 VanDerWaalsContact O-CA 3.3Å; Y35-H134 WeakPolarHBondContact O-CA 3.01Å; Y35-H134 PolarHBondContact O-CD2 3.23Å; Y35-P135 HydrophobicContact CD1-CG 4.03Å; Y35-P135 HydrophobicContact CD2-CG 4.22Å; Y35-P135 HydrophobicContact CE1-CG 3.37Å; Y35-P135 HydrophobicContact CE2-CG 3.58Å; Y35-P135 HydrophobicContact CG-CG 4.42Å; Y35-P135 PolarHBondContact N-O 2.88Å; Y35-P135 WeakPolarHBondContact O-CD 3.18Å; Y35-P135 VanDerWaalsContact OH-CG 3.27Å; Y35-P135 WeakPolarHBondContact OH-CG 3.38Å; Y35-V137 HydrophobicContact CE1-CG2 3.97Å; Y35-I152 HydrophobicContact CD1-CD1 4.3Å; Y35-I152 HydrophobicContact CE1-CD1 3.92Å; Y35-I152 HydrophobicContact CE1-CG2 4.2Å; Y35-L189 HydrophobicContact CD2-CD2 3.98Å; Y35-L189 HydrophobicContact CE2-CD2 3.38Å; Y35-I191 HydrophobicContact CD1-CD1 4.02Å; Y35-I191 HydrophobicContact CD2-CD1 4.24Å; Y35-I191 HydrophobicContact CE1-CD1 4.33Å; Y35-I191 HydrophobicContact CG-CD1 3.95Å |
| 36 | K | 97.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 27% | 0.265 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.6 | 175.5 | -177.6 | -177.7 | 160.5 | -152.4 | 0 | 108.4 | T24 E25 Y132 F133 | T24-K36 CarbonylContact C-O 3.56Å; T24-K36 WeakPolarHBondContact CA-O 3.22Å; E25-K36 HydrophobicContact CB-CB 4.41Å; E25-K36 PolarHBondContact N-O 3.04Å; E25-K36 PolarHBondContact O-N 3.48Å; E25-K36 IonicContact OE2-NZ 2.94Å; K36-Y132 HydrophobicContact CD-CD2 4.36Å; K36-Y132 HydrophobicContact CD-CE2 4.44Å; K36-Y132 HydrophobicContact CG-CD2 3.89Å; K36-Y132 HydrophobicContact CG-CE2 4.37Å; K36-F133 WeakPolarHBondContact CA-O 3.17Å |
| 37 | T | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 167.5 | -172.5 | 66.9 | 0 | 0 | 0 | 0 | 113 | Y35 T39 F133 Y187 L189 | Y35-T37 HydrophobicContact CD2-CG2 3.72Å; Y35-T37 HydrophobicContact CE2-CG2 3.59Å; T37-T39 PolarHBondContact O-N 2.86Å; T37-F133 HydrophobicContact CG2-CB 3.83Å; T37-F133 HydrophobicContact CG2-CD2 4.01Å; T37-F133 HydrophobicContact CG2-CG 4.44Å; T37-F133 PolarHBondContact N-O 2.83Å; T37-F133 WeakPolarHBondContact OG1-CD2 3.09Å; T37-F133 PolarHBondContact OG1-N 3.48Å; T37-Y187 VanDerWaalsContact CB-OH 3.31Å; T37-Y187 WeakPolarHBondContact CB-OH 3.42Å; T37-Y187 HydrophobicContact CG2-CE1 4.07Å; T37-L189 HydrophobicContact CG2-CD2 3.95Å |
| 38 | Q | 95.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -51.2 | 138.4 | 167.4 | -174.8 | 178.2 | 43.4 | 0 | 0 | 109.8 | D19 T22 Y187 | D19-Q38 WeakPolarHBondContact O-CG 3.28Å; D19-Q38 PolarHBondContact O-NE2 2.82Å; T22-Q38 PolarHBondContact O-NE2 3.06Å; T22-Q38 WeakPolarHBondContact OG1-CG 3.48Å; Q38-Y187 HydrophobicContact CB-CE2 4.25Å; Q38-Y187 VanDerWaalsContact CB-OH 3.3Å; Q38-Y187 WeakPolarHBondContact CB-OH 3.28Å; Q38-Y187 PolarHBondContact N-OH 3.03Å |
| 39 | T | 95.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 133.8 | -177.7 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | D19 T22 T37 Y41 K130 D131 Y132 | D19-T39 WeakPolarHBondContact CB-O 3.33Å; D19-T39 PolarHBondContact N-O 2.85Å; T22-T39 PolarHBondContact OG1-N 2.9Å; T37-T39 PolarHBondContact O-N 2.86Å; T39-Y41 HydrophobicContact CG2-CD2 3.88Å; T39-Y41 HydrophobicContact CG2-CE1 4.49Å; T39-Y41 HydrophobicContact CG2-CE2 3.34Å; T39-K130 HydrophobicContact CG2-CD 4.43Å; T39-K130 HydrophobicContact CG2-CG 3.72Å; T39-D131 WeakPolarHBondContact CA-O 3.46Å; T39-Y132 HydrophobicContact CG2-CD1 4.33Å |
| 40 | F | 95.9 | Very high | 96 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 140.1 | 167.7 | 170.6 | -93 | 0 | 0 | 0 | 110.5 | A16 Y18 C42 K130 D131 I160 W185 V214 | A16-F40 HydrophobicContact CB-CE2 4.24Å; A16-F40 HydrophobicContact CB-CZ 3.96Å; Y18-F40 HydrophobicContact CD1-CB 4.28Å; Y18-F40 HydrophobicContact CD1-CD2 4.17Å; Y18-F40 HydrophobicContact CE1-CB 4.43Å; Y18-F40 AromaticContact CE1-CD2 3.96Å; Y18-F40 HydrophobicContact CE1-CD2 3.96Å; F40-C42 HydrophobicContact CE1-CB 3.84Å; F40-C42 HydrophobicContact CZ-CB 4.03Å; F40-K130 WeakPolarHBondContact O-CA 3.46Å; F40-D131 HydrophobicContact CD1-CB 4.34Å; F40-D131 PolarHBondContact N-O 2.77Å; F40-D131 PolarHBondContact O-N 2.91Å; F40-I160 HydrophobicContact CE1-CD1 3.63Å; F40-I160 HydrophobicContact CZ-CD1 4.04Å; F40-W185 HydrophobicContact CB-CD2 4.47Å; F40-W185 HydrophobicContact CB-CE3 4Å; F40-W185 HydrophobicContact CB-CH2 4.08Å; F40-W185 HydrophobicContact CB-CZ3 3.78Å; F40-W185 AromaticContact CD1-CD2 3.82Å; F40-W185 HydrophobicContact CD1-CD2 3.82Å; F40-W185 AromaticContact CD1-CE2 3.66Å; F40-W185 HydrophobicContact CD1-CE3 4.21Å; F40-W185 HydrophobicContact CD1-CG 4.22Å; F40-W185 HydrophobicContact CD1-CH2 4.34Å; F40-W185 AromaticContact CD1-CZ2 3.96Å; F40-W185 HydrophobicContact CD1-CZ2 3.96Å; F40-W185 HydrophobicContact CD1-CZ3 4.44Å; F40-W185 AromaticContact CD1-NE1 3.91Å; F40-W185 HydrophobicContact CD2-CB 4.07Å; F40-W185 AromaticContact CD2-CD2 3.78Å; F40-W185 HydrophobicContact CD2-CD2 3.78Å; F40-W185 AromaticContact CD2-CE3 3.75Å; F40-W185 HydrophobicContact CD2-CE3 3.75Å; F40-W185 AromaticContact CD2-CG 3.96Å; F40-W185 HydrophobicContact CD2-CG 3.96Å; F40-W185 HydrophobicContact CD2-CZ3 4.4Å; F40-W185 AromaticContact CE1-CD1 3.64Å; F40-W185 AromaticContact CE1-CD2 3.95Å; F40-W185 HydrophobicContact CE1-CD2 3.95Å; F40-W185 AromaticContact CE1-CE2 3.82Å; F40-W185 AromaticContact CE1-CG 3.86Å; F40-W185 HydrophobicContact CE1-CG 3.86Å; F40-W185 AromaticContact CE1-NE1 3.58Å; F40-W185 HydrophobicContact CE2-CB 3.45Å; F40-W185 VanDerWaalsContact CE2-CB 3.45Å; F40-W185 AromaticContact CE2-CD2 3.87Å; F40-W185 HydrophobicContact CE2-CD2 3.87Å; F40-W185 HydrophobicContact CE2-CE3 4.27Å; F40-W185 AromaticContact CE2-CG 3.53Å; F40-W185 HydrophobicContact CE2-CG 3.53Å; F40-W185 AromaticContact CG-CD2 3.73Å; F40-W185 HydrophobicContact CG-CD2 3.73Å; F40-W185 AromaticContact CG-CE3 3.7Å; F40-W185 HydrophobicContact CG-CE3 3.7Å; F40-W185 HydrophobicContact CG-CG 4.27Å; F40-W185 HydrophobicContact CG-CH2 4.25Å; F40-W185 HydrophobicContact CG-CZ2 4.29Å; F40-W185 AromaticContact CG-CZ3 3.95Å; F40-W185 HydrophobicContact CG-CZ3 3.95Å; F40-W185 HydrophobicContact CZ-CB 3.77Å; F40-W185 AromaticContact CZ-CD1 3.5Å; F40-W185 AromaticContact CZ-CD2 3.96Å; F40-W185 HydrophobicContact CZ-CD2 3.96Å; F40-W185 AromaticContact CZ-CG 3.48Å; F40-W185 HydrophobicContact CZ-CG 3.48Å; F40-W185 VanDerWaalsContact CZ-CG 3.48Å; F40-W185 AromaticContact CZ-NE1 3.95Å; F40-V214 HydrophobicContact CD2-CG2 4.47Å; F40-V214 HydrophobicContact CE2-CG1 4.4Å; F40-V214 HydrophobicContact CE2-CG2 3.66Å |
| 41 | Y | 95.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 25.4 Ų | 25.4 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 140.8 | 174 | -74.4 | -85 | 0 | 0 | 0 | 111.2 | A16 Y17 D19 T39 V129 K130 | A16-Y41 CarbonylContact C-O 3.56Å; A16-Y41 WeakPolarHBondContact CA-O 3.12Å; Y17-Y41 HydrophobicContact CE2-CD2 4.04Å; Y17-Y41 HydrophobicContact CE2-CG 4.34Å; Y17-Y41 PolarHBondContact N-O 3.4Å; Y17-Y41 PolarHBondContact O-N 3.44Å; D19-Y41 HydrophobicContact CB-CD2 3.98Å; D19-Y41 HydrophobicContact CB-CE2 3.83Å; T39-Y41 HydrophobicContact CG2-CD2 3.88Å; T39-Y41 HydrophobicContact CG2-CE1 4.49Å; T39-Y41 HydrophobicContact CG2-CE2 3.34Å; Y41-V129 WeakPolarHBondContact CA-O 3.19Å; Y41-K130 HydrophobicContact CD1-CB 4.06Å; Y41-K130 HydrophobicContact CD1-CG 4.18Å; Y41-K130 HydrophobicContact CE1-CB 3.78Å; Y41-K130 HydrophobicContact CE1-CD 3.81Å; Y41-K130 HydrophobicContact CE1-CG 3.55Å; Y41-K130 VanDerWaalsContact OH-CE 3.27Å; Y41-K130 WeakPolarHBondContact OH-CE 3.5Å |
| 42 | C | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 115.9 | 161.1 | 171.2 | 0 | 0 | 0 | 0 | 108.7 | R15 A16 F40 H128 V129 I160 I183 | R15-C42 CarbonylContact O-C 3.6Å; R15-C42 WeakPolarHBondContact O-CA 3.28Å; A16-C42 HydrophobicContact CB-CB 4.13Å; F40-C42 HydrophobicContact CE1-CB 3.84Å; F40-C42 HydrophobicContact CZ-CB 4.03Å; C42-H128 CarbonylContact O-C 3.5Å; C42-H128 WeakPolarHBondContact O-CA 3.13Å; C42-H128 WeakPolarHBondContact O-CB 3.37Å; C42-V129 HydrophobicContact CB-CB 4.22Å; C42-V129 PolarHBondContact N-O 3.38Å; C42-V129 PolarHBondContact O-N 2.93Å; C42-I160 HydrophobicContact CB-CD1 3.74Å; C42-I183 WeakPolarHBondContact SG-CD1 3.34Å |
| 43 | E | 96.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 24.1 Ų | 24.1 | 26% | 0.257 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.9 | -177.2 | -53 | 178.8 | 133.1 | 0 | 0 | 110.1 | I14 R15 Y17 H128 | I14-E43 CarbonylContact C-O 3.5Å; I14-E43 WeakPolarHBondContact CA-O 3.34Å; R15-E43 HydrophobicContact CB-CB 4.49Å; R15-E43 IonicContact CZ-OE2 3.76Å; R15-E43 PolarHBondContact N-O 2.82Å; R15-E43 IonicContact NH1-OE2 3.94Å; R15-E43 PolarHBondContact NH1-OE2 3.08Å; R15-E43 PolarHBondContact O-N 3.42Å; Y17-E43 HydrophobicContact CE1-CG 4.4Å; E43-H128 HydrophobicContact CG-CB 4.46Å |
| 44 | V | 96.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.2 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | V11 R13 I14 I46 L61 N126 L127 L162 | V11-V44 HydrophobicContact CG1-CG1 4.25Å; R13-V44 WeakPolarHBondContact O-CA 3.3Å; I14-V44 HydrophobicContact CG1-CG1 4.18Å; I14-V44 HydrophobicContact CG1-CG2 4.08Å; I14-V44 HydrophobicContact CG2-CG2 4.29Å; V44-I46 HydrophobicContact CG1-CD1 3.84Å; V44-I46 HydrophobicContact CG1-CG1 3.64Å; V44-L61 HydrophobicContact CG2-CD1 4.35Å; V44-L61 HydrophobicContact CG2-CD2 3.8Å; V44-N126 WeakPolarHBondContact O-CA 3.41Å; V44-L127 HydrophobicContact CB-CB 4.47Å; V44-L127 PolarHBondContact N-O 3.33Å; V44-L127 PolarHBondContact O-N 2.6Å; V44-L162 HydrophobicContact CG1-CD1 4.23Å; V44-L162 HydrophobicContact CG1-CD2 3.73Å |
| 45 | E | 97.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 25.9 Ų | 25.9 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.1 | 173.3 | -53.6 | -170.4 | 174.9 | 0 | 0 | 110.6 | K12 R13 L125 N126 | K12-E45 HydrophobicContact CB-CB 4.13Å; K12-E45 PolarHBondContact N-O 2.89Å; R13-E45 HydrophobicContact CB-CB 4.1Å; R13-E45 HydrophobicContact CB-CG 4.06Å; R13-E45 IonicContact CZ-OE1 2.75Å; R13-E45 PolarHBondContact N-O 3.38Å; R13-E45 IonicContact NE-OE1 3.66Å; R13-E45 PolarHBondContact NE-OE1 3.28Å; R13-E45 IonicContact NE-OE2 3.14Å; R13-E45 IonicContact NH2-OE1 3.47Å; R13-E45 PolarHBondContact NH2-OE1 2.86Å; R13-E45 PolarHBondContact O-N 2.9Å; E45-L125 CarbonylContact C-O 3.39Å; E45-L125 WeakPolarHBondContact CA-O 3.27Å; E45-N126 WeakPolarHBondContact CG-OD1 3.45Å |
| 46 | I | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.6 | -176 | -46.1 | -178.6 | 0 | 0 | 0 | 109.7 | F9 H10 V44 I48 I59 G124 L125 L127 L162 | F9-I46 HydrophobicContact CB-CG2 4.31Å; H10-I46 CarbonylContact O-C 3.57Å; H10-I46 WeakPolarHBondContact O-CA 3.43Å; V44-I46 HydrophobicContact CG1-CD1 3.84Å; V44-I46 HydrophobicContact CG1-CG1 3.64Å; I46-I48 HydrophobicContact CG2-CG1 4.37Å; I46-I59 HydrophobicContact CD1-CD1 3.39Å; I46-I59 HydrophobicContact CD1-CG1 3.85Å; I46-I59 HydrophobicContact CG2-CD1 4.35Å; I46-G124 CarbonylContact O-C 3.6Å; I46-G124 WeakPolarHBondContact O-CA 3.46Å; I46-L125 HydrophobicContact CB-CB 4.29Å; I46-L125 PolarHBondContact N-O 3.41Å; I46-L125 PolarHBondContact O-N 3.46Å; I46-L127 HydrophobicContact CD1-CD1 3.88Å; I46-L162 HydrophobicContact CD1-CD1 3.86Å; I46-L162 HydrophobicContact CD1-CD2 4.14Å |
| 47 | D | 97.4 | Very high | 96 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 18% | 0.176 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.4 | 168 | -94.5 | 23.7 | 0 | 0 | 0 | 110.2 | H10 K12 | H10-D47 HydrophobicContact CB-CB 4.22Å; H10-D47 WeakPolarHBondContact CB-O 2.97Å; H10-D47 PolarHBondContact N-O 2.51Å; H10-D47 PolarHBondContact O-N 2.88Å; K12-D47 HydrophobicContact CD-CB 4.36Å; K12-D47 VanDerWaalsContact CE-OD1 3.28Å; K12-D47 WeakPolarHBondContact CE-OD1 3.28Å; K12-D47 WeakPolarHBondContact CE-OD2 3.28Å; K12-D47 IonicContact NZ-OD1 2.67Å; K12-D47 PolarHBondContact NZ-OD1 3.29Å; K12-D47 IonicContact NZ-OD2 2.78Å; K12-D47 PolarHBondContact NZ-OD2 3.05Å |
| 48 | I | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.8 | 169.6 | -47.3 | 178 | 0 | 0 | 0 | 107.9 | L4 F9 I46 I115 L120 K122 T123 L125 | L4-I48 HydrophobicContact CD1-CG2 4.01Å; F9-I48 HydrophobicContact CD1-CD1 3.66Å; F9-I48 HydrophobicContact CD1-CG1 3.97Å; F9-I48 HydrophobicContact CE1-CD1 3.58Å; F9-I48 HydrophobicContact CE1-CG1 4.36Å; I46-I48 HydrophobicContact CG2-CG1 4.37Å; I48-I115 HydrophobicContact CD1-CD1 3.62Å; I48-L120 HydrophobicContact CB-CD2 4.19Å; I48-L120 HydrophobicContact CD1-CD2 4.34Å; I48-L120 HydrophobicContact CG2-CD2 3.49Å; I48-L120 VanDerWaalsContact CG2-CD2 3.49Å; I48-K122 VanDerWaalsContact O-CA 3.3Å; I48-K122 WeakPolarHBondContact O-CA 3.3Å; I48-T123 PolarHBondContact N-O 2.9Å; I48-T123 PolarHBondContact O-N 2.77Å; I48-L125 HydrophobicContact CD1-CD1 3.63Å; I48-L125 HydrophobicContact CG1-CD1 4.24Å |
| 49 | P | 96 | Very high | 96 | Very high | 41 Ų | 41 | 24.5 Ų | 24.5 | 27% | 0.266 | 13% | 0.128 | S | C | . | . | trans | -71.5 | 167.2 | 178.2 | 31.8 | -34.8 | 0 | 0 | 0 | 111 | K8 C51 | K8-P49 HydrophobicContact CB-CG 4.23Å; K8-P49 HydrophobicContact CD-CG 4.06Å; K8-P49 WeakPolarHBondContact O-CD 3.21Å; P49-C51 PolarHBondContact O-N 2.8Å; P49-C51 VanDerWaalsContact O-N 3.14Å; P49-C51 PolarHBondContact O-SG 3.33Å | ||
| 50 | T | 96.8 | Very high | 96.1 | Very high | 68 Ų | 68 | 24.4 Ų | 24.4 | 42% | 0.417 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -60.1 | 120.2 | 171.6 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | M1 L119 L120 K122 | M1-T50 HydrophobicContact CE-CG2 4.25Å; T50-L119 HydrophobicContact CG2-CD1 4.24Å; T50-L120 CarbonylContact C-O 3.51Å; T50-L120 VanDerWaalsContact CA-O 3.28Å; T50-L120 WeakPolarHBondContact CA-O 3.5Å; T50-K122 PolarHBondContact OG1-N 2.87Å |
| 51 | C | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 171.9 | -177.8 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | N2 P49 L120 | N2-C51 CarbonylContact O-C 3.6Å; N2-C51 VanDerWaalsContact O-CA 3.28Å; N2-C51 WeakPolarHBondContact O-CA 3.28Å; N2-C51 VanDerWaalsContact O-CB 3.24Å; N2-C51 WeakPolarHBondContact O-CB 3.24Å; P49-C51 PolarHBondContact O-N 2.8Å; P49-C51 VanDerWaalsContact O-N 3.14Å; P49-C51 PolarHBondContact O-SG 3.33Å; C51-L120 PolarHBondContact N-O 2.91Å; C51-L120 PolarHBondContact O-N 3.44Å; C51-L120 VanDerWaalsContact O-O 3.13Å |
| 52 | I | 96.6 | Very high | 96.2 | Very high | 73 Ų | 73 | 22.3 Ų | 22.3 | 37% | 0.374 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.8 | 173.7 | -61.2 | 173.9 | 0 | 0 | 0 | 108.5 | M1 N2 K3 L4 G118 L119 | M1-I52 HydrophobicContact CB-CD1 3.81Å; M1-I52 HydrophobicContact CB-CG1 4.1Å; M1-I52 HydrophobicContact CG-CD1 4.45Å; M1-I52 HydrophobicContact SD-CD1 3.84Å; M1-I52 HydrophobicContact SD-CG1 3.96Å; N2-I52 PolarHBondContact O-N 3.3Å; K3-I52 CarbonylContact C-O 3.51Å; K3-I52 VanDerWaalsContact CA-O 3.28Å; K3-I52 WeakPolarHBondContact CA-O 3.25Å; L4-I52 PolarHBondContact N-O 2.95Å; I52-G118 CarbonylContact C-O 3.54Å; I52-G118 WeakPolarHBondContact CA-O 3.05Å; I52-L119 HydrophobicContact CG1-CD1 4.19Å |
| 53 | S | 94.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.1 | 170.4 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | H55 W57 G118 | S53-H55 WeakPolarHBondContact CB-O 3.34Å; S53-H55 PolarHBondContact OG-N 2.86Å; S53-H55 PolarHBondContact OG-O 2.77Å; S53-W57 PolarHBondContact OG-NE1 2.94Å; S53-W57 VanDerWaalsContact OG-NE1 3.08Å; S53-G118 PolarHBondContact N-O 3.05Å; S53-G118 PolarHBondContact O-N 3.26Å |
| 54 | D | 94 | Very high | 96.3 | Very high | 55 Ų | 55 | 19.8 Ų | 19.8 | 29% | 0.294 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -96.1 | -2.6 | 172.8 | 73.1 | -40.3 | 0 | 0 | 0 | 113.4 | K169 | D54-K169 WeakPolarHBondContact O-CE 3.5Å; D54-K169 IonicContact OD2-NZ 2.88Å; D54-K169 PolarHBondContact OD2-NZ 2.99Å |
| 55 | H | 94.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 19.7 Ų | 19.7 | 11% | 0.111 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -131 | 163.3 | 176.7 | -59.9 | 81 | 0 | 0 | 0 | 110.6 | S53 K117 K166 Y167 K169 | S53-H55 WeakPolarHBondContact CB-O 3.34Å; S53-H55 PolarHBondContact OG-N 2.86Å; S53-H55 PolarHBondContact OG-O 2.77Å; H55-K117 WeakPolarHBondContact O-CA 3.31Å; H55-K166 HydrophobicContact CB-CG 3.85Å; H55-K166 WeakPolarHBondContact CE1-CE 3.34Å; H55-K166 WeakPolarHBondContact ND1-CE 3.3Å; H55-Y167 PolarHBondContact CD2-O 2.83Å; H55-Y167 VanDerWaalsContact CD2-O 3.26Å; H55-K169 VanDerWaalsContact CE1-CE 3.5Å; H55-K169 WeakPolarHBondContact CE1-CE 3.08Å; H55-K169 PolarHBondContact CE1-NZ 3.31Å; H55-K169 VanDerWaalsContact CE1-NZ 3.33Å; H55-K169 WeakPolarHBondContact NE2-CE 3.21Å; H55-K169 PolarHBondContact NE2-NZ 3.06Å |
| 56 | D | 95.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 19.6 Ų | 19.6 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | trans | -76.1 | 143.2 | 160 | -78 | 5 | 0 | 0 | 0 | 108.2 | I115 K116 K117 Y167 | D56-I115 WeakPolarHBondContact CA-O 3.48Å; D56-K116 WeakPolarHBondContact OD2-CD 3.35Å; D56-K116 IonicContact OD2-NZ 2.78Å; D56-K116 PolarHBondContact OD2-NZ 2.9Å; D56-K117 WeakPolarHBondContact OD1-CB 3.37Å; D56-K117 PolarHBondContact OD1-N 3.42Å; D56-Y167 HydrophobicContact CB-CD2 4Å; D56-Y167 WeakPolarHBondContact O-CD2 3.21Å; D56-Y167 PolarHBondContact O-N 3.19Å | ||
| 57 | W | 95.7 | Very high | 96.3 | Very high | 10 Ų | 10 | 24 Ų | 24 | 4% | 0.038 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.6 | 174.7 | -63 | 69 | 0 | 0 | 0 | 110.7 | L4 I6 F9 S53 I115 A164 I165 K166 | L4-W57 HydrophobicContact CD2-CD2 4.32Å; L4-W57 HydrophobicContact CD2-CG 4.04Å; I6-W57 HydrophobicContact CD1-CH2 3.86Å; I6-W57 HydrophobicContact CD1-CZ3 3.48Å; I6-W57 VanDerWaalsContact CD1-CZ3 3.48Å; I6-W57 HydrophobicContact CG1-CH2 4.32Å; I6-W57 HydrophobicContact CG1-CZ3 4.42Å; F9-W57 HydrophobicContact CE2-CE3 4.03Å; F9-W57 HydrophobicContact CE2-CZ3 4.03Å; F9-W57 HydrophobicContact CZ-CD2 4.38Å; F9-W57 AromaticContact CZ-CE3 4Å; F9-W57 HydrophobicContact CZ-CE3 4Å; F9-W57 HydrophobicContact CZ-CZ3 4.47Å; S53-W57 PolarHBondContact OG-NE1 2.94Å; S53-W57 VanDerWaalsContact OG-NE1 3.08Å; W57-I115 HydrophobicContact CB-CB 4.13Å; W57-I115 HydrophobicContact CB-CD1 4.34Å; W57-I115 PolarHBondContact N-O 3.25Å; W57-I115 PolarHBondContact O-N 2.78Å; W57-A164 HydrophobicContact CE3-CB 4.09Å; W57-A164 HydrophobicContact CZ3-CB 4.16Å; W57-I165 CarbonylContact C-O 3.59Å; W57-I165 WeakPolarHBondContact CA-O 3.3Å; W57-K166 HydrophobicContact CD2-CB 3.75Å; W57-K166 HydrophobicContact CD2-CG 4.04Å; W57-K166 HydrophobicContact CE3-CB 3.63Å; W57-K166 HydrophobicContact CE3-CG 4.38Å; W57-K166 HydrophobicContact CH2-CB 3.71Å; W57-K166 HydrophobicContact CH2-CD 3.76Å; W57-K166 HydrophobicContact CH2-CG 3.98Å; W57-K166 HydrophobicContact CZ2-CB 3.83Å; W57-K166 HydrophobicContact CZ2-CD 3.53Å; W57-K166 HydrophobicContact CZ2-CG 3.62Å; W57-K166 HydrophobicContact CZ3-CB 3.6Å; W57-K166 HydrophobicContact CZ3-CD 4.49Å; W57-K166 HydrophobicContact CZ3-CG 4.34Å |
| 58 | T | 96 | Very high | 96.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.3 | 161.1 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | F105 L112 Y113 N114 A164 I165 Y167 | T58-F105 HydrophobicContact CG2-CD2 4.25Å; T58-F105 HydrophobicContact CG2-CE1 4.03Å; T58-F105 HydrophobicContact CG2-CE2 3.4Å; T58-F105 VanDerWaalsContact CG2-CE2 3.4Å; T58-F105 HydrophobicContact CG2-CZ 3.27Å; T58-L112 HydrophobicContact CG2-CB 3.89Å; T58-L112 HydrophobicContact CG2-CD1 3.98Å; T58-L112 HydrophobicContact CG2-CG 4.4Å; T58-Y113 WeakPolarHBondContact CA-O 3.16Å; T58-N114 WeakPolarHBondContact CG2-OD1 3.43Å; T58-N114 PolarHBondContact OG1-OD1 3.17Å; T58-A164 CarbonylContact O-C 3.55Å; T58-A164 WeakPolarHBondContact O-CA 3.45Å; T58-I165 PolarHBondContact N-O 2.77Å; T58-I165 PolarHBondContact O-N 2.77Å; T58-Y167 VanDerWaalsContact OG1-CE2 3.28Å; T58-Y167 WeakPolarHBondContact OG1-CE2 3.47Å; T58-Y167 PolarHBondContact OG1-OH 3.44Å |
| 59 | I | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.9 | 167.6 | -175.3 | 155.2 | 0 | 0 | 0 | 108.8 | F9 I46 L112 Y113 L125 L127 L162 V163 F180 | F9-I59 HydrophobicContact CB-CD1 4.17Å; F9-I59 HydrophobicContact CD1-CB 4.38Å; F9-I59 HydrophobicContact CD1-CD1 3.3Å; F9-I59 HydrophobicContact CD1-CG1 4.43Å; F9-I59 HydrophobicContact CE1-CB 4.02Å; F9-I59 HydrophobicContact CE1-CD1 3.81Å; F9-I59 HydrophobicContact CE1-CG2 4.15Å; F9-I59 HydrophobicContact CG-CD1 3.91Å; I46-I59 HydrophobicContact CD1-CD1 3.39Å; I46-I59 HydrophobicContact CD1-CG1 3.85Å; I46-I59 HydrophobicContact CG2-CD1 4.35Å; I59-L112 CarbonylContact O-C 3.51Å; I59-L112 WeakPolarHBondContact O-CA 3.37Å; I59-Y113 PolarHBondContact N-O 2.85Å; I59-Y113 PolarHBondContact O-N 2.88Å; I59-L125 HydrophobicContact CG2-CD1 3.92Å; I59-L127 HydrophobicContact CG1-CD1 4.29Å; I59-L127 HydrophobicContact CG2-CD1 4.49Å; I59-L162 HydrophobicContact CD1-CD1 4.44Å; I59-L162 HydrophobicContact CG1-CD1 4.08Å; I59-V163 CarbonylContact C-O 3.5Å; I59-V163 VanDerWaalsContact CA-O 3.31Å; I59-V163 WeakPolarHBondContact CA-O 3.23Å; I59-F180 HydrophobicContact CD1-CD2 4.48Å; I59-F180 HydrophobicContact CD1-CE2 3.97Å |
| 60 | G | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | F105 S111 V163 | G60-F105 VanDerWaalsContact CA-CE1 3.49Å; G60-S111 CarbonylContact C-O 3.49Å; G60-S111 WeakPolarHBondContact CA-O 3.09Å; G60-V163 PolarHBondContact N-O 3.12Å; G60-V163 PolarHBondContact O-N 2.89Å |
| 61 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.3 | 178.7 | -60.9 | 168.1 | 0 | 0 | 0 | 109.6 | V44 F105 Y106 S111 L127 V129 I160 W161 L162 | V44-L61 HydrophobicContact CG2-CD1 4.35Å; V44-L61 HydrophobicContact CG2-CD2 3.8Å; L61-F105 WeakPolarHBondContact O-CA 3.43Å; L61-Y106 PolarHBondContact O-N 3.3Å; L61-S111 PolarHBondContact N-O 2.89Å; L61-L127 HydrophobicContact CD1-CB 4.06Å; L61-L127 HydrophobicContact CG-CB 4.35Å; L61-V129 HydrophobicContact CB-CG2 3.85Å; L61-V129 HydrophobicContact CD1-CG2 3.94Å; L61-I160 HydrophobicContact CB-CG2 4.26Å; L61-I160 HydrophobicContact CD2-CG2 4.03Å; L61-W161 WeakPolarHBondContact CA-O 3.22Å; L61-L162 HydrophobicContact CD2-CB 4.11Å; L61-L162 HydrophobicContact CD2-CD1 4.02Å |
| 62 | V | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.9 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 107.4 | P104 F105 I160 W161 V163 L225 A229 | V62-P104 HydrophobicContact CB-CB 4.49Å; V62-P104 HydrophobicContact CG1-CB 4.01Å; V62-P104 WeakPolarHBondContact CG1-O 3.45Å; V62-P104 HydrophobicContact CG2-CB 3.68Å; V62-P104 HydrophobicContact CG2-CG 3.49Å; V62-P104 VanDerWaalsContact CG2-CG 3.49Å; V62-F105 HydrophobicContact CG2-CD1 4.22Å; V62-I160 CarbonylContact O-C 3.6Å; V62-I160 VanDerWaalsContact O-CA 3.22Å; V62-I160 WeakPolarHBondContact O-CA 3.31Å; V62-W161 HydrophobicContact CB-CE3 4.37Å; V62-W161 HydrophobicContact CG1-CE3 4.09Å; V62-W161 PolarHBondContact N-O 3.14Å; V62-W161 PolarHBondContact O-N 3.42Å; V62-V163 HydrophobicContact CG2-CG1 4.29Å; V62-V163 HydrophobicContact CG2-CG2 3.68Å; V62-L225 HydrophobicContact CB-CD1 4.39Å; V62-L225 HydrophobicContact CG1-CD1 4Å; V62-L225 HydrophobicContact CG1-CD2 4.39Å; V62-L225 HydrophobicContact CG2-CD2 4.34Å; V62-A229 HydrophobicContact CG1-CB 4.24Å; V62-A229 WeakPolarHBondContact CG1-O 3.44Å |
| 63 | Q | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 146.6 | 171.7 | -172.4 | 162.6 | -87.4 | 0 | 0 | 110.4 | D97 Y106 D131 F158 L159 I160 | Q63-D97 HydrophobicContact CB-CB 4.12Å; Q63-D97 HydrophobicContact CG-CB 3.99Å; Q63-D97 PolarHBondContact NE2-OD2 3.17Å; Q63-D97 PolarHBondContact O-N 2.88Å; Q63-Y106 HydrophobicContact CB-CD2 3.8Å; Q63-D131 PolarHBondContact NE2-OD2 3.01Å; Q63-F158 HydrophobicContact CG-CB 4.32Å; Q63-F158 HydrophobicContact CG-CD1 4.07Å; Q63-L159 CarbonylContact C-O 3.54Å; Q63-L159 VanDerWaalsContact CA-O 3.32Å; Q63-L159 WeakPolarHBondContact CA-O 3.43Å; Q63-I160 HydrophobicContact CB-CG1 4.2Å; Q63-I160 HydrophobicContact CG-CG1 4Å; Q63-I160 VanDerWaalsContact OE1-CD1 3.27Å; Q63-I160 VanDerWaalsContact OE1-CG1 3.27Å |
| 64 | A | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L94 I95 F158 L159 W161 A229 | A64-L94 HydrophobicContact CB-CB 4.3Å; A64-L94 HydrophobicContact CB-CD1 3.69Å; A64-L94 HydrophobicContact CB-CG 4.48Å; A64-I95 CarbonylContact C-O 3.58Å; A64-I95 WeakPolarHBondContact CA-O 3.35Å; A64-I95 WeakPolarHBondContact CB-O 3.28Å; A64-F158 CarbonylContact O-C 3.57Å; A64-F158 VanDerWaalsContact O-CA 3.29Å; A64-F158 WeakPolarHBondContact O-CA 3.34Å; A64-L159 PolarHBondContact N-O 3.17Å; A64-L159 PolarHBondContact O-N 2.79Å; A64-W161 HydrophobicContact CB-CH2 4Å; A64-W161 HydrophobicContact CB-CZ3 3.64Å; A64-A229 HydrophobicContact CB-CB 4.14Å |
| 65 | C | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.4 | 170.6 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | Y67 F84 L94 I95 K157 F158 | C65-Y67 PolarHBondContact SG-O 2.79Å; C65-F84 HydrophobicContact CB-CE2 4.17Å; C65-L94 CarbonylContact O-C 3.57Å; C65-L94 WeakPolarHBondContact O-CA 3.46Å; C65-L94 WeakPolarHBondContact O-CB 3.41Å; C65-I95 PolarHBondContact N-O 2.73Å; C65-I95 PolarHBondContact O-N 2.81Å; C65-K157 WeakPolarHBondContact CA-O 3.4Å; C65-K157 PolarHBondContact SG-O 2.89Å; C65-F158 HydrophobicContact CB-CD1 3.84Å; C65-F158 HydrophobicContact CB-CE1 3.68Å |
| 66 | D | 96.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 23.4 Ų | 23.4 | 26% | 0.257 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -4.9 | 176.2 | 72.1 | -12.5 | 0 | 0 | 0 | 113.7 | L94 K157 R184 | D66-L94 HydrophobicContact CB-CB 3.97Å; D66-K157 PolarHBondContact N-O 3.22Å; D66-K157 VanDerWaalsContact OD1-CB 3.3Å; D66-K157 WeakPolarHBondContact OD1-CB 3.39Å; D66-R184 VanDerWaalsContact CG-NH1 3.35Å; D66-R184 IonicContact OD1-CZ 2.86Å; D66-R184 IonicContact OD1-NH1 3.89Å; D66-R184 PolarHBondContact OD1-NH1 3.12Å; D66-R184 VanDerWaalsContact OD1-NH1 3.14Å; D66-R184 IonicContact OD1-NH2 3.24Å; D66-R184 IonicContact OD2-CZ 3.06Å; D66-R184 IonicContact OD2-NH1 3.77Å; D66-R184 PolarHBondContact OD2-NH1 2.69Å; D66-R184 IonicContact OD2-NH2 3.94Å |
| 67 | Y | 96.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 24 Ų | 24 | 37% | 0.369 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 134.8 | 173.5 | 176.8 | -87.7 | 0 | 0 | 0 | 110.1 | C65 R155 Q156 K157 | C65-Y67 PolarHBondContact SG-O 2.79Å; Y67-R155 HydrophobicContact CE1-CB 3.98Å; Y67-Q156 CarbonylContact O-C 3.36Å; Y67-Q156 VanDerWaalsContact O-CA 3.3Å; Y67-Q156 WeakPolarHBondContact O-CA 3.45Å; Y67-K157 HydrophobicContact CD1-CD 4.07Å; Y67-K157 HydrophobicContact CD1-CG 3.86Å; Y67-K157 HydrophobicContact CG-CD 4.09Å; Y67-K157 HydrophobicContact CG-CG 4.17Å; Y67-K157 PolarHBondContact O-N 2.9Å |
| 68 | M | 96.5 | Very high | 95.1 | Very high | 31 Ų | 31 | 23.5 Ų | 23.5 | 15% | 0.153 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 132.3 | 171.9 | 178.9 | 176.8 | 70.9 | 0 | 0 | 109.9 | L70 W82 F84 R155 Q156 | M68-L70 HydrophobicContact CG-CB 4.24Å; M68-L70 HydrophobicContact SD-CB 4.48Å; M68-W82 HydrophobicContact CE-CB 4.36Å; M68-W82 VanDerWaalsContact CE-O 3.29Å; M68-W82 WeakPolarHBondContact CE-O 3.35Å; M68-F84 HydrophobicContact CB-CD2 4.21Å; M68-F84 HydrophobicContact CB-CE2 3.83Å; M68-F84 HydrophobicContact CE-CD1 3.68Å; M68-F84 HydrophobicContact CE-CD2 3.56Å; M68-F84 HydrophobicContact CE-CE1 3.63Å; M68-F84 HydrophobicContact CE-CE2 3.51Å; M68-F84 HydrophobicContact CE-CG 3.63Å; M68-F84 HydrophobicContact CE-CZ 3.54Å; M68-F84 HydrophobicContact CG-CE2 4.29Å; M68-F84 HydrophobicContact SD-CD2 4.18Å; M68-F84 HydrophobicContact SD-CE1 3.92Å; M68-F84 HydrophobicContact SD-CE2 3.5Å; M68-F84 WeakPolarHBondContact SD-CE2 3.4Å; M68-F84 HydrophobicContact SD-CZ 3.34Å; M68-F84 WeakPolarHBondContact SD-CZ 3.46Å; M68-R155 CarbonylContact C-O 3.55Å; M68-R155 WeakPolarHBondContact CA-O 3.37Å; M68-Q156 HydrophobicContact CB-CG 4.2Å; M68-Q156 HydrophobicContact CG-CG 3.88Å |
| 69 | Y | 97.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 26.5 Ų | 26.5 | 26% | 0.259 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 102.5 | 163.9 | 177.8 | -97 | 0 | 0 | 0 | 107.2 | A71 L81 I153 G154 R155 | Y69-A71 HydrophobicContact CE1-CB 3.89Å; Y69-A71 HydrophobicContact CE2-CB 4.36Å; Y69-L81 HydrophobicContact CD2-CD2 4.37Å; Y69-L81 HydrophobicContact CE2-CD2 3.98Å; Y69-I153 HydrophobicContact CD1-CG2 3.96Å; Y69-I153 HydrophobicContact CE1-CB 4.05Å; Y69-I153 HydrophobicContact CE1-CD1 4.46Å; Y69-I153 HydrophobicContact CE1-CG2 3.78Å; Y69-G154 CarbonylContact O-C 3.59Å; Y69-R155 PolarHBondContact N-O 2.8Å; Y69-R155 PolarHBondContact O-N 3.32Å |
| 70 | L | 97.5 | Very high | 95 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.089 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 103.1 | -179.3 | 178.1 | 62.1 | 0 | 0 | 0 | 108.3 | M68 L81 W82 I153 | M68-L70 HydrophobicContact CG-CB 4.24Å; M68-L70 HydrophobicContact SD-CB 4.48Å; L70-L81 VanDerWaalsContact O-CA 3.32Å; L70-L81 WeakPolarHBondContact O-CA 3.31Å; L70-W82 HydrophobicContact CB-CB 4.07Å; L70-W82 HydrophobicContact CD2-CB 3.82Å; L70-W82 VanDerWaalsContact CD2-CD1 3.44Å; L70-W82 HydrophobicContact CD2-CG 3.84Å; L70-W82 HydrophobicContact CG-CB 4.12Å; L70-W82 HydrophobicContact CG-CG 4.35Å; L70-W82 PolarHBondContact O-N 2.9Å; L70-I153 CarbonylContact C-O 3.54Å; L70-I153 WeakPolarHBondContact CA-O 3.48Å |
| 71 | A | 97.4 | Very high | 95 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y69 S80 L81 I152 I153 | Y69-A71 HydrophobicContact CE1-CB 3.89Å; Y69-A71 HydrophobicContact CE2-CB 4.36Å; A71-S80 CarbonylContact C-O 3.57Å; A71-S80 WeakPolarHBondContact CA-O 3.38Å; A71-L81 HydrophobicContact CB-CG 4.08Å; A71-I152 WeakPolarHBondContact O-CA 3.4Å; A71-I153 PolarHBondContact N-O 2.86Å; A71-I153 PolarHBondContact O-N 2.93Å |
| 72 | N | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.6 | 171.3 | -48.9 | -59.6 | 0 | 0 | 0 | 108.1 | Y74 Q79 S80 V137 L149 E151 | N72-Y74 HydrophobicContact CB-CE2 3.77Å; N72-Y74 WeakPolarHBondContact O-CD2 3.41Å; N72-Q79 CarbonylContact O-C 3.51Å; N72-Q79 WeakPolarHBondContact O-CA 3.34Å; N72-Q79 WeakPolarHBondContact O-CB 3.08Å; N72-S80 WeakPolarHBondContact CB-OG 3.39Å; N72-S80 PolarHBondContact N-O 2.86Å; N72-S80 PolarHBondContact ND2-OG 2.88Å; N72-S80 VanDerWaalsContact ND2-OG 3.08Å; N72-S80 PolarHBondContact O-N 2.94Å; N72-V137 HydrophobicContact CB-CG1 4.12Å; N72-V137 WeakPolarHBondContact OD1-CG1 3.44Å; N72-L149 HydrophobicContact CB-CD1 3.75Å; N72-E151 CarbonylContact C-O 3.5Å; N72-E151 WeakPolarHBondContact CA-O 3.01Å |
| 73 | D | 96.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 29.6 Ų | 29.6 | 19% | 0.193 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.7 | -179.1 | -169 | -95.8 | 0 | 0 | 0 | 111.4 | G76 T150 E151 | D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 VanDerWaalsContact OD1-N 3.13Å; D73-T150 PolarHBondContact O-N 2.89Å; D73-T150 PolarHBondContact O-OG1 3.31Å; D73-T150 VanDerWaalsContact O-OG1 3.09Å; D73-T150 PolarHBondContact OD1-OG1 3.01Å; D73-E151 HydrophobicContact CB-CB 4.21Å; D73-E151 PolarHBondContact N-O 2.97Å; D73-E151 PolarHBondContact O-N 3.43Å |
| 74 | Y | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 88.1 | -177.4 | -69.2 | -98.4 | 0 | 0 | 0 | 109.3 | N72 G76 I77 G78 V138 W139 L141 V147 R148 L149 W243 | N72-Y74 HydrophobicContact CB-CE2 3.77Å; N72-Y74 WeakPolarHBondContact O-CD2 3.41Å; Y74-G76 PolarHBondContact O-N 2.77Å; Y74-I77 PolarHBondContact O-N 2.78Å; Y74-G78 PolarHBondContact N-O 2.78Å; Y74-V138 WeakPolarHBondContact OH-CG2 3Å; Y74-V138 PolarHBondContact OH-O 3.01Å; Y74-W139 WeakPolarHBondContact CE1-O 3.32Å; Y74-L141 HydrophobicContact CD2-CD1 4.17Å; Y74-L141 HydrophobicContact CE1-CD1 4.45Å; Y74-L141 HydrophobicContact CE1-CG 4.09Å; Y74-L141 HydrophobicContact CE2-CD1 3.91Å; Y74-L141 HydrophobicContact CE2-CG 4.27Å; Y74-V147 VanDerWaalsContact C-CG1 3.44Å; Y74-V147 WeakPolarHBondContact O-CG1 3.45Å; Y74-R148 CarbonylContact C-O 3.57Å; Y74-R148 VanDerWaalsContact CA-O 3.29Å; Y74-R148 WeakPolarHBondContact CA-O 3.47Å; Y74-L149 HydrophobicContact CD1-CB 4.4Å; Y74-L149 HydrophobicContact CE1-CB 4.07Å; Y74-L149 HydrophobicContact CE1-CD1 4.48Å; Y74-L149 HydrophobicContact CE2-CD1 4.35Å; Y74-W243 HydrophobicContact CD2-CH2 4.27Å; Y74-W243 AromaticContact CD2-CZ3 3.62Å; Y74-W243 HydrophobicContact CD2-CZ3 3.62Å; Y74-W243 HydrophobicContact CE2-CZ3 4.29Å; Y74-W243 HydrophobicContact CG-CH2 4.37Å; Y74-W243 HydrophobicContact CG-CZ3 4.13Å |
| 75 | E | 87.1 | Confident | 95.1 | Very high | 101 Ų | 101 | 30 Ų | 30 | 47% | 0.472 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 33.2 | 175.5 | -154.1 | 176.8 | -177.4 | 0 | 0 | 114.4 | I77 V147 R148 T150 | E75-I77 PolarHBondContact O-N 2.76Å; E75-I77 VanDerWaalsContact O-N 3.17Å; E75-V147 HydrophobicContact CB-CG1 3.84Å; E75-R148 PolarHBondContact N-O 2.87Å; E75-T150 HydrophobicContact CB-CG2 4.01Å; E75-T150 HydrophobicContact CG-CG2 4.31Å; E75-T150 PolarHBondContact N-OG1 2.77Å |
| 76 | G | 80.7 | Confident | 95.1 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 25% | 0.247 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 17.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D73 Y74 K246 | D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 VanDerWaalsContact OD1-N 3.13Å; Y74-G76 PolarHBondContact O-N 2.77Å; G76-K246 WeakPolarHBondContact O-CD 3.4Å; G76-K246 WeakPolarHBondContact O-CE 3.32Å; G76-K246 WeakPolarHBondContact O-CG 3.29Å; G76-K246 PolarHBondContact O-NZ 3.25Å |
| 77 | I | 90.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 29.5 Ų | 29.5 | 34% | 0.344 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -33.6 | 166.6 | -74.1 | 168.9 | 0 | 0 | 0 | 110.6 | Y74 E75 V147 W243 H245 K246 | Y74-I77 PolarHBondContact O-N 2.78Å; E75-I77 PolarHBondContact O-N 2.76Å; E75-I77 VanDerWaalsContact O-N 3.17Å; I77-V147 HydrophobicContact CB-CG1 4.11Å; I77-V147 HydrophobicContact CB-CG2 4.33Å; I77-V147 HydrophobicContact CD1-CB 4.2Å; I77-V147 HydrophobicContact CD1-CG1 3.79Å; I77-V147 HydrophobicContact CD1-CG2 3.26Å; I77-V147 HydrophobicContact CG1-CG1 4.33Å; I77-V147 HydrophobicContact CG1-CG2 4.34Å; I77-V147 HydrophobicContact CG2-CG2 4.34Å; I77-W243 HydrophobicContact CG2-CZ2 4.39Å; I77-H245 WeakPolarHBondContact CG2-NE2 3.43Å; I77-K246 WeakPolarHBondContact O-CB 3.29Å; I77-K246 WeakPolarHBondContact O-CG 3.4Å; I77-K246 PolarHBondContact O-N 3.14Å |
| 78 | G | 93 | Very high | 95.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.5 | -176.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y74 Y244 | Y74-G78 PolarHBondContact N-O 2.78Å; G78-Y244 CarbonylContact C-O 3.58Å; G78-Y244 WeakPolarHBondContact CA-O 3.42Å |
| 79 | Q | 94.9 | Very high | 95 | Very high | 64 Ų | 64 | 29.4 Ų | 29.4 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 143.1 | -179.3 | 49.1 | 178.2 | -12 | 0 | 0 | 110.5 | N72 L81 W243 Y244 | N72-Q79 CarbonylContact O-C 3.51Å; N72-Q79 WeakPolarHBondContact O-CA 3.34Å; N72-Q79 WeakPolarHBondContact O-CB 3.08Å; Q79-L81 HydrophobicContact CB-CD1 4.04Å; Q79-L81 VanDerWaalsContact CD-CD1 3.5Å; Q79-L81 HydrophobicContact CG-CD1 3.49Å; Q79-L81 VanDerWaalsContact CG-CD1 3.49Å; Q79-W243 VanDerWaalsContact C-CZ3 3.48Å; Q79-W243 VanDerWaalsContact N-CZ3 3.31Å; Q79-W243 VanDerWaalsContact O-CE3 3.3Å; Q79-Y244 PolarHBondContact N-O 3.35Å; Q79-Y244 PolarHBondContact O-N 3.28Å |
| 80 | S | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 132.9 | 165.1 | 67.9 | 0 | 0 | 0 | 0 | 109.5 | A71 N72 I242 | A71-S80 CarbonylContact C-O 3.57Å; A71-S80 WeakPolarHBondContact CA-O 3.38Å; N72-S80 WeakPolarHBondContact CB-OG 3.39Å; N72-S80 PolarHBondContact N-O 2.86Å; N72-S80 PolarHBondContact ND2-OG 2.88Å; N72-S80 VanDerWaalsContact ND2-OG 3.08Å; N72-S80 PolarHBondContact O-N 2.94Å; S80-I242 CarbonylContact C-O 3.39Å; S80-I242 WeakPolarHBondContact CA-O 3.47Å |
| 81 | L | 96.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.5 | 178.6 | -75.9 | 86.5 | 0 | 0 | 0 | 110.1 | Y69 L70 A71 Q79 E83 L241 I242 Y244 | Y69-L81 HydrophobicContact CD2-CD2 4.37Å; Y69-L81 HydrophobicContact CE2-CD2 3.98Å; L70-L81 VanDerWaalsContact O-CA 3.32Å; L70-L81 WeakPolarHBondContact O-CA 3.31Å; A71-L81 HydrophobicContact CB-CG 4.08Å; Q79-L81 HydrophobicContact CB-CD1 4.04Å; Q79-L81 VanDerWaalsContact CD-CD1 3.5Å; Q79-L81 HydrophobicContact CG-CD1 3.49Å; Q79-L81 VanDerWaalsContact CG-CD1 3.49Å; L81-E83 HydrophobicContact CB-CG 3.84Å; L81-L241 WeakPolarHBondContact O-CA 3.5Å; L81-I242 PolarHBondContact N-O 2.85Å; L81-I242 PolarHBondContact O-N 2.99Å; L81-Y244 HydrophobicContact CB-CD2 4.42Å; L81-Y244 HydrophobicContact CB-CE2 4.29Å; L81-Y244 HydrophobicContact CD1-CD2 3.57Å; L81-Y244 HydrophobicContact CD1-CE2 4.19Å; L81-Y244 HydrophobicContact CD1-CG 4.45Å |
| 82 | W | 97.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 128.7 | 158.3 | -74.6 | 103.9 | 0 | 0 | 0 | 108.4 | M68 L70 Q239 S240 L241 V256 I292 | M68-W82 HydrophobicContact CE-CB 4.36Å; M68-W82 VanDerWaalsContact CE-O 3.29Å; M68-W82 WeakPolarHBondContact CE-O 3.35Å; L70-W82 HydrophobicContact CB-CB 4.07Å; L70-W82 HydrophobicContact CD2-CB 3.82Å; L70-W82 VanDerWaalsContact CD2-CD1 3.44Å; L70-W82 HydrophobicContact CD2-CG 3.84Å; L70-W82 HydrophobicContact CG-CB 4.12Å; L70-W82 HydrophobicContact CG-CG 4.35Å; L70-W82 PolarHBondContact O-N 2.9Å; W82-Q239 HydrophobicContact CE3-CB 3.9Å; W82-Q239 HydrophobicContact CE3-CG 3.89Å; W82-Q239 HydrophobicContact CZ3-CB 4.2Å; W82-Q239 HydrophobicContact CZ3-CG 3.73Å; W82-S240 WeakPolarHBondContact CA-O 3.49Å; W82-S240 VanDerWaalsContact CE3-C 3.5Å; W82-L241 HydrophobicContact CD2-CB 4.04Å; W82-L241 HydrophobicContact CD2-CD1 4Å; W82-L241 HydrophobicContact CE3-CB 3.92Å; W82-L241 HydrophobicContact CG-CD1 4.02Å; W82-L241 HydrophobicContact CH2-CB 3.96Å; W82-L241 HydrophobicContact CZ2-CB 4.05Å; W82-L241 HydrophobicContact CZ2-CD2 4.25Å; W82-L241 HydrophobicContact CZ3-CB 3.88Å; W82-V256 HydrophobicContact CH2-CB 4.14Å; W82-V256 HydrophobicContact CH2-CG1 4.09Å; W82-V256 HydrophobicContact CH2-CG2 4.23Å; W82-V256 HydrophobicContact CZ3-CB 4.31Å; W82-V256 HydrophobicContact CZ3-CG1 4.27Å; W82-I292 HydrophobicContact CZ2-CG2 4.08Å |
| 83 | E | 97.7 | Very high | 94.7 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146.1 | -176.3 | -62.4 | -174.4 | 119 | 0 | 0 | 110.7 | L81 K88 Q239 S240 I242 Y244 M272 | L81-E83 HydrophobicContact CB-CG 3.84Å; E83-K88 WeakPolarHBondContact OE1-CD 3.42Å; E83-K88 IonicContact OE1-NZ 2.74Å; E83-K88 PolarHBondContact OE1-NZ 2.96Å; E83-K88 IonicContact OE2-NZ 3.76Å; E83-K88 PolarHBondContact OE2-NZ 3.43Å; E83-Q239 WeakPolarHBondContact O-CA 3.15Å; E83-S240 PolarHBondContact N-O 3.17Å; E83-S240 PolarHBondContact O-N 3.07Å; E83-S240 PolarHBondContact O-OG 3.42Å; E83-I242 WeakPolarHBondContact OE2-CD1 3.49Å; E83-Y244 PolarHBondContact OE2-OH 2.95Å; E83-M272 HydrophobicContact CB-CE 3.74Å |
| 84 | F | 97.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.9 | 168.7 | -49.8 | -52.5 | 0 | 0 | 0 | 109.7 | C65 M68 P86 L87 K88 I95 C235 A238 Q239 | C65-F84 HydrophobicContact CB-CE2 4.17Å; M68-F84 HydrophobicContact CB-CD2 4.21Å; M68-F84 HydrophobicContact CB-CE2 3.83Å; M68-F84 HydrophobicContact CE-CD1 3.68Å; M68-F84 HydrophobicContact CE-CD2 3.56Å; M68-F84 HydrophobicContact CE-CE1 3.63Å; M68-F84 HydrophobicContact CE-CE2 3.51Å; M68-F84 HydrophobicContact CE-CG 3.63Å; M68-F84 HydrophobicContact CE-CZ 3.54Å; M68-F84 HydrophobicContact CG-CE2 4.29Å; M68-F84 HydrophobicContact SD-CD2 4.18Å; M68-F84 HydrophobicContact SD-CE1 3.92Å; M68-F84 HydrophobicContact SD-CE2 3.5Å; M68-F84 WeakPolarHBondContact SD-CE2 3.4Å; M68-F84 HydrophobicContact SD-CZ 3.34Å; M68-F84 WeakPolarHBondContact SD-CZ 3.46Å; F84-P86 VanDerWaalsContact C-CD 3.47Å; F84-P86 VanDerWaalsContact C-N 3.33Å; F84-L87 HydrophobicContact CB-CB 4.46Å; F84-L87 HydrophobicContact CB-CG 4.3Å; F84-L87 HydrophobicContact CD2-CD1 3.75Å; F84-L87 HydrophobicContact CD2-CG 4.19Å; F84-L87 HydrophobicContact CE2-CD1 4.49Å; F84-L87 PolarHBondContact O-N 2.92Å; F84-L87 VanDerWaalsContact O-N 3.11Å; F84-K88 PolarHBondContact O-N 3.25Å; F84-I95 HydrophobicContact CB-CD1 3.29Å; F84-I95 HydrophobicContact CD1-CD1 4.47Å; F84-I95 HydrophobicContact CD2-CD1 3.89Å; F84-I95 HydrophobicContact CG-CD1 3.68Å; F84-C235 HydrophobicContact CE1-CB 3.83Å; F84-C235 WeakPolarHBondContact CE1-O 3.38Å; F84-C235 HydrophobicContact CZ-CB 3.65Å; F84-A238 HydrophobicContact CD1-CB 4.31Å; F84-Q239 HydrophobicContact CD1-CB 3.81Å; F84-Q239 HydrophobicContact CE1-CB 3.73Å |
| 85 | H | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -51.7 | -43.8 | 176.1 | 167.3 | -93.5 | 0 | 0 | 0 | 114 | L87 K88 S89 V263 W268 D271 M272 | H85-L87 VanDerWaalsContact C-N 3.27Å; H85-L87 PolarHBondContact O-N 3.07Å; H85-K88 PolarHBondContact O-N 2.82Å; H85-S89 WeakPolarHBondContact O-CB 3.34Å; H85-S89 PolarHBondContact O-N 2.87Å; H85-S89 PolarHBondContact O-OG 3.49Å; H85-V263 WeakPolarHBondContact CE1-CG2 3.29Å; H85-W268 AromaticContact CD2-CD1 3.64Å; H85-W268 AromaticContact CG-CD1 3.33Å; H85-W268 AromaticContact CG-NE1 3.58Å; H85-W268 AromaticContact ND1-CD1 3.79Å; H85-D271 IonicContact CD2-OD2 2.74Å; H85-D271 IonicContact CE1-OD2 2.63Å; H85-D271 IonicContact NE2-OD2 3.56Å; H85-D271 PolarHBondContact NE2-OD2 3.11Å; H85-M272 WeakPolarHBondContact CA-SD 3.35Å; H85-M272 HydrophobicContact CB-CE 4.42Å; H85-M272 HydrophobicContact CB-CG 4.12Å; H85-M272 HydrophobicContact CB-SD 3.55Å; H85-M272 VanDerWaalsContact CB-SD 3.55Å |
| 86 | P | 97.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -32.8 | -179.6 | -22.4 | 31 | 0 | 0 | 0 | 114.3 | F84 L91 R92 I95 P233 I262 | F84-P86 VanDerWaalsContact C-CD 3.47Å; F84-P86 VanDerWaalsContact C-N 3.33Å; P86-L91 PolarHBondContact O-N 2.98Å; P86-R92 HydrophobicContact CB-CB 3.88Å; P86-R92 HydrophobicContact CB-CG 3.91Å; P86-R92 PolarHBondContact O-N 2.74Å; P86-R92 VanDerWaalsContact O-O 3.08Å; P86-I95 HydrophobicContact CB-CD1 3.71Å; P86-I95 HydrophobicContact CB-CG1 3.98Å; P86-I95 HydrophobicContact CG-CD1 3.7Å; P86-I95 HydrophobicContact CG-CG1 4.29Å; P86-P233 HydrophobicContact CG-CG 4.44Å; P86-I262 HydrophobicContact CB-CD1 3.72Å; P86-I262 HydrophobicContact CG-CD1 3.83Å; P86-I262 HydrophobicContact CG-CG1 4.09Å; P86-I262 HydrophobicContact CG-CG2 4.4Å |
| 87 | L | 97.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -79.1 | -44.6 | 175.5 | -62.1 | -167 | 0 | 0 | 0 | 111.3 | F84 H85 G90 R92 I95 | F84-L87 HydrophobicContact CB-CB 4.46Å; F84-L87 HydrophobicContact CB-CG 4.3Å; F84-L87 HydrophobicContact CD2-CD1 3.75Å; F84-L87 HydrophobicContact CD2-CG 4.19Å; F84-L87 HydrophobicContact CE2-CD1 4.49Å; F84-L87 PolarHBondContact O-N 2.92Å; F84-L87 VanDerWaalsContact O-N 3.11Å; H85-L87 VanDerWaalsContact C-N 3.27Å; H85-L87 PolarHBondContact O-N 3.07Å; L87-G90 PolarHBondContact O-N 2.96Å; L87-G90 VanDerWaalsContact O-N 3.12Å; L87-R92 WeakPolarHBondContact CD2-O 3.32Å; L87-I95 HydrophobicContact CD2-CD1 4.27Å; L87-I95 HydrophobicContact CD2-CG1 3.96Å; L87-I95 HydrophobicContact CG-CD1 3.85Å; L87-I95 HydrophobicContact CG-CG1 4.08Å |
| 88 | K | 95.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 33.9 Ų | 33.9 | 36% | 0.357 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64 | -43.1 | -176.8 | -179.9 | 166.6 | 176.6 | 163.2 | 0 | 113 | E83 F84 H85 G90 Y244 M272 | E83-K88 WeakPolarHBondContact OE1-CD 3.42Å; E83-K88 IonicContact OE1-NZ 2.74Å; E83-K88 PolarHBondContact OE1-NZ 2.96Å; E83-K88 IonicContact OE2-NZ 3.76Å; E83-K88 PolarHBondContact OE2-NZ 3.43Å; F84-K88 PolarHBondContact O-N 3.25Å; H85-K88 PolarHBondContact O-N 2.82Å; K88-G90 PolarHBondContact O-N 2.97Å; K88-Y244 PolarHBondContact NZ-OH 2.61Å; K88-M272 HydrophobicContact CB-SD 4.19Å; K88-M272 HydrophobicContact CD-CE 3.76Å; K88-M272 HydrophobicContact CD-SD 3.7Å; K88-M272 HydrophobicContact CG-SD 4.25Å |
| 89 | S | 95.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14 | 175.6 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | H85 L91 | H85-S89 WeakPolarHBondContact O-CB 3.34Å; H85-S89 PolarHBondContact O-N 2.87Å; H85-S89 PolarHBondContact O-OG 3.49Å; S89-L91 PolarHBondContact O-N 3.37Å; S89-L91 WeakPolarHBondContact OG-CB 3.29Å; S89-L91 WeakPolarHBondContact OG-CG 3.22Å; S89-L91 PolarHBondContact OG-N 2.94Å |
| 90 | G | 95.5 | Very high | 96.1 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 59% | 0.588 | 19% | 0.194 | S | C | * | . | S | Bend | trans | 72.7 | 4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L87 K88 R92 | L87-G90 PolarHBondContact O-N 2.96Å; L87-G90 VanDerWaalsContact O-N 3.12Å; K88-G90 PolarHBondContact O-N 2.97Å; G90-R92 PolarHBondContact O-N 2.96Å |
| 91 | L | 96.1 | Very high | 96 | Very high | 93 Ų | 93 | 41 Ų | 41 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -65.9 | -25 | 178.3 | -67.9 | 175.2 | 0 | 0 | 0 | 112.8 | P86 S89 I262 V263 | P86-L91 PolarHBondContact O-N 2.98Å; S89-L91 PolarHBondContact O-N 3.37Å; S89-L91 WeakPolarHBondContact OG-CB 3.29Å; S89-L91 WeakPolarHBondContact OG-CG 3.22Å; S89-L91 PolarHBondContact OG-N 2.94Å; L91-I262 HydrophobicContact CB-CD1 3.98Å; L91-I262 HydrophobicContact CD1-CD1 4.09Å; L91-V263 HydrophobicContact CD1-CG1 3.59Å |
| 92 | R | 96.3 | Very high | 95.7 | Very high | 57 Ų | 57 | 43 Ų | 43 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | trans | -133.8 | 145.4 | 171.1 | -60.6 | -174.3 | 179.4 | -166.3 | 3.7 | 110.1 | P86 L87 G90 P232 I262 | P86-R92 HydrophobicContact CB-CB 3.88Å; P86-R92 HydrophobicContact CB-CG 3.91Å; P86-R92 PolarHBondContact O-N 2.74Å; P86-R92 VanDerWaalsContact O-O 3.08Å; L87-R92 WeakPolarHBondContact CD2-O 3.32Å; G90-R92 PolarHBondContact O-N 2.96Å; R92-P232 PolarHBondContact NH1-O 2.72Å; R92-P232 PolarHBondContact NH2-O 3.14Å; R92-I262 HydrophobicContact CG-CD1 4.21Å | ||
| 93 | Q | 95.7 | Very high | 95.5 | Very high | 172 Ų | 172 | 44.8 Ų | 44.8 | 80% | 0.804 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -86.2 | -13 | 174.6 | -66.7 | -178.3 | -16.1 | 0 | 0 | 113.3 | ||
| 94 | L | 96.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -160.5 | 160.4 | -179.6 | 60 | 89.9 | 0 | 0 | 0 | 110.1 | A64 C65 D66 W161 P226 S228 A229 | A64-L94 HydrophobicContact CB-CB 4.3Å; A64-L94 HydrophobicContact CB-CD1 3.69Å; A64-L94 HydrophobicContact CB-CG 4.48Å; C65-L94 CarbonylContact O-C 3.57Å; C65-L94 WeakPolarHBondContact O-CA 3.46Å; C65-L94 WeakPolarHBondContact O-CB 3.41Å; D66-L94 HydrophobicContact CB-CB 3.97Å; L94-W161 HydrophobicContact CD2-CH2 4.04Å; L94-P226 HydrophobicContact CD1-CB 4.3Å; L94-P226 HydrophobicContact CD2-CB 3.92Å; L94-P226 HydrophobicContact CD2-CG 3.89Å; L94-S228 WeakPolarHBondContact CD1-OG 3.35Å; L94-S228 WeakPolarHBondContact CG-OG 3.48Å; L94-S228 VanDerWaalsContact O-CB 3.23Å; L94-S228 WeakPolarHBondContact O-CB 3.36Å; L94-S228 PolarHBondContact O-OG 2.78Å; L94-A229 HydrophobicContact CD1-CB 3.56Å; L94-A229 VanDerWaalsContact CD1-N 3.27Å | ||
| 95 | I | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.1 | 178.3 | -57.9 | 176.6 | 0 | 0 | 0 | 108.5 | A64 C65 F84 P86 L87 P233 A238 | A64-I95 CarbonylContact C-O 3.58Å; A64-I95 WeakPolarHBondContact CA-O 3.35Å; A64-I95 WeakPolarHBondContact CB-O 3.28Å; C65-I95 PolarHBondContact N-O 2.73Å; C65-I95 PolarHBondContact O-N 2.81Å; F84-I95 HydrophobicContact CB-CD1 3.29Å; F84-I95 HydrophobicContact CD1-CD1 4.47Å; F84-I95 HydrophobicContact CD2-CD1 3.89Å; F84-I95 HydrophobicContact CG-CD1 3.68Å; P86-I95 HydrophobicContact CB-CD1 3.71Å; P86-I95 HydrophobicContact CB-CG1 3.98Å; P86-I95 HydrophobicContact CG-CD1 3.7Å; P86-I95 HydrophobicContact CG-CG1 4.29Å; L87-I95 HydrophobicContact CD2-CD1 4.27Å; L87-I95 HydrophobicContact CD2-CG1 3.96Å; L87-I95 HydrophobicContact CG-CD1 3.85Å; L87-I95 HydrophobicContact CG-CG1 4.08Å; I95-P233 WeakPolarHBondContact CG2-O 3.4Å; I95-A238 HydrophobicContact CD1-CB 4.26Å; I95-A238 HydrophobicContact CG2-CB 4.4Å |
| 96 | N | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 145.5 | 175.3 | 175.6 | -88.7 | 0 | 0 | 0 | 111.2 | S98 Y103 P104 S228 A229 H234 C235 | N96-S98 WeakPolarHBondContact OD1-CB 3.33Å; N96-S98 PolarHBondContact OD1-N 2.78Å; N96-S98 PolarHBondContact OD1-OG 3.47Å; N96-Y103 HydrophobicContact CB-CD1 4.3Å; N96-Y103 HydrophobicContact CB-CE1 4.15Å; N96-Y103 WeakPolarHBondContact OD1-CD1 3.36Å; N96-Y103 VanDerWaalsContact OD1-CE1 3.31Å; N96-Y103 WeakPolarHBondContact OD1-CE1 3.4Å; N96-P104 PolarHBondContact ND2-O 2.88Å; N96-S228 PolarHBondContact N-O 2.82Å; N96-A229 PolarHBondContact ND2-O 3.24Å; N96-H234 CarbonylContact O-C 3.49Å; N96-H234 WeakPolarHBondContact O-CA 3.43Å; N96-C235 PolarHBondContact O-N 2.89Å; N96-C235 PolarHBondContact O-SG 3.04Å |
| 97 | D | 96.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | trans | -121.9 | 41.8 | -177.5 | -163 | 39.9 | 0 | 0 | 0 | 111.7 | Q63 Y106 F158 C235 | Q63-D97 HydrophobicContact CB-CB 4.12Å; Q63-D97 HydrophobicContact CG-CB 3.99Å; Q63-D97 PolarHBondContact NE2-OD2 3.17Å; Q63-D97 PolarHBondContact O-N 2.88Å; D97-Y106 WeakPolarHBondContact O-CD2 3.48Å; D97-Y106 WeakPolarHBondContact O-CE2 3.49Å; D97-F158 WeakPolarHBondContact OD2-CE1 3.27Å; D97-C235 VanDerWaalsContact OD1-CB 3.25Å; D97-C235 WeakPolarHBondContact OD1-CB 3.42Å; D97-C235 PolarHBondContact OD1-SG 2.98Å | ||
| 98 | S | 95.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -77.3 | 174.8 | 174.4 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | N96 G100 F105 Y106 H234 | N96-S98 WeakPolarHBondContact OD1-CB 3.33Å; N96-S98 PolarHBondContact OD1-N 2.78Å; N96-S98 PolarHBondContact OD1-OG 3.47Å; S98-G100 PolarHBondContact O-N 2.88Å; S98-G100 PolarHBondContact OG-N 2.89Å; S98-F105 WeakPolarHBondContact CB-O 3.41Å; S98-Y106 CarbonylContact C-O 3.47Å; S98-Y106 WeakPolarHBondContact CA-O 3.35Å; S98-H234 PolarHBondContact O-CD2 2.75Å |
| 99 | D | 91.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | trans | -74.2 | -3.3 | 164.4 | 62.6 | 16.5 | 0 | 0 | 0 | 114 | L101 Y106 S107 V108 | D99-L101 PolarHBondContact O-N 3.19Å; D99-L101 VanDerWaalsContact OD1-CB 3.29Å; D99-L101 WeakPolarHBondContact OD1-CB 3.5Å; D99-L101 PolarHBondContact OD1-N 2.71Å; D99-Y106 PolarHBondContact N-O 3.37Å; D99-S107 WeakPolarHBondContact OD2-CA 3.44Å; D99-V108 PolarHBondContact OD2-N 2.58Å | ||
| 100 | G | 91.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 78.4 | -0.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | S98 H234 | S98-G100 PolarHBondContact O-N 2.88Å; S98-G100 PolarHBondContact OG-N 2.89Å; G100-H234 VanDerWaalsContact CA-CD2 3.47Å; G100-H234 WeakPolarHBondContact CA-CD2 3.49Å; G100-H234 PolarHBondContact N-CD2 3.28Å; G100-H234 VanDerWaalsContact N-CD2 3.3Å |
| 101 | L | 91.7 | Very high | 93.8 | Very high | 130 Ų | 130 | 50 Ų | 50 | 68% | 0.681 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -85.3 | -39.4 | 178.9 | -58.3 | 177.7 | 0 | 0 | 0 | 111.8 | D99 V108 | D99-L101 PolarHBondContact O-N 3.19Å; D99-L101 VanDerWaalsContact OD1-CB 3.29Å; D99-L101 WeakPolarHBondContact OD1-CB 3.5Å; D99-L101 PolarHBondContact OD1-N 2.71Å; L101-V108 HydrophobicContact CB-CG1 4.04Å; L101-V108 HydrophobicContact CD1-CG2 4.18Å |
| 102 | Q | 91.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -145.3 | 95.1 | 180 | -170.2 | 179.2 | -19.7 | 0 | 0 | 112.6 | F105 V108 | Q102-F105 HydrophobicContact CG-CD2 4.4Å; Q102-F105 PolarHBondContact O-N 2.48Å; Q102-V108 HydrophobicContact CB-CG1 3.48Å; Q102-V108 VanDerWaalsContact CB-CG1 3.48Å |
| 103 | Y | 93.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 145.1 | 169 | -66 | -91.7 | 0 | 0 | 0 | 111.3 | N96 A230 P232 H234 | N96-Y103 HydrophobicContact CB-CD1 4.3Å; N96-Y103 HydrophobicContact CB-CE1 4.15Å; N96-Y103 WeakPolarHBondContact OD1-CD1 3.36Å; N96-Y103 VanDerWaalsContact OD1-CE1 3.31Å; N96-Y103 WeakPolarHBondContact OD1-CE1 3.4Å; Y103-A230 WeakPolarHBondContact CB-O 3.22Å; Y103-P232 HydrophobicContact CE1-CB 4.22Å; Y103-P232 HydrophobicContact CE2-CB 4.16Å; Y103-H234 HydrophobicContact CE1-CB 4.19Å; Y103-H234 PolarHBondContact OH-N 2.97Å; Y103-H234 VanDerWaalsContact OH-N 3.12Å |
| 104 | P | 95.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92 | 2.6 | 0.4 | 39.3 | -40.2 | 0 | 0 | 0 | 114.3 | V62 N96 I165 L225 A230 | V62-P104 HydrophobicContact CB-CB 4.49Å; V62-P104 HydrophobicContact CG1-CB 4.01Å; V62-P104 WeakPolarHBondContact CG1-O 3.45Å; V62-P104 HydrophobicContact CG2-CB 3.68Å; V62-P104 HydrophobicContact CG2-CG 3.49Å; V62-P104 VanDerWaalsContact CG2-CG 3.49Å; N96-P104 PolarHBondContact ND2-O 2.88Å; P104-I165 HydrophobicContact CG-CD1 3.85Å; P104-L225 HydrophobicContact CB-CD2 4.23Å; P104-L225 HydrophobicContact CG-CD2 4.27Å; P104-A230 HydrophobicContact CB-CB 4.39Å |
| 105 | F | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74 | 145.7 | -164.2 | -58.3 | -69.8 | 0 | 0 | 0 | 112.2 | T58 G60 L61 V62 S98 Q102 S107 L112 V163 I165 | T58-F105 HydrophobicContact CG2-CD2 4.25Å; T58-F105 HydrophobicContact CG2-CE1 4.03Å; T58-F105 HydrophobicContact CG2-CE2 3.4Å; T58-F105 VanDerWaalsContact CG2-CE2 3.4Å; T58-F105 HydrophobicContact CG2-CZ 3.27Å; G60-F105 VanDerWaalsContact CA-CE1 3.49Å; L61-F105 WeakPolarHBondContact O-CA 3.43Å; V62-F105 HydrophobicContact CG2-CD1 4.22Å; S98-F105 WeakPolarHBondContact CB-O 3.41Å; Q102-F105 HydrophobicContact CG-CD2 4.4Å; Q102-F105 PolarHBondContact O-N 2.48Å; F105-S107 PolarHBondContact O-N 2.9Å; F105-L112 HydrophobicContact CB-CB 4.29Å; F105-L112 HydrophobicContact CB-CD2 3.7Å; F105-L112 HydrophobicContact CD1-CB 4.01Å; F105-L112 HydrophobicContact CD2-CB 4.24Å; F105-L112 HydrophobicContact CD2-CD2 3.54Å; F105-L112 HydrophobicContact CE1-CB 4.43Å; F105-L112 HydrophobicContact CE2-CD2 4.35Å; F105-L112 HydrophobicContact CG-CB 3.91Å; F105-L112 HydrophobicContact CG-CD2 3.7Å; F105-L112 HydrophobicContact CG-CG 4.47Å; F105-V163 HydrophobicContact CE1-CG2 3.79Å; F105-V163 HydrophobicContact CZ-CG2 4.49Å; F105-I165 HydrophobicContact CE1-CD1 4.44Å; F105-I165 HydrophobicContact CE2-CD1 3.99Å; F105-I165 HydrophobicContact CZ-CD1 3.58Å; F105-I165 HydrophobicContact CZ-CG1 4.07Å |
| 106 | Y | 96.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -56.5 | -48 | -177.6 | 178 | -103.7 | 0 | 0 | 0 | 112.3 | L61 Q63 D97 S98 D99 S111 V129 K130 D131 | L61-Y106 PolarHBondContact O-N 3.3Å; Q63-Y106 HydrophobicContact CB-CD2 3.8Å; D97-Y106 WeakPolarHBondContact O-CD2 3.48Å; D97-Y106 WeakPolarHBondContact O-CE2 3.49Å; S98-Y106 CarbonylContact C-O 3.47Å; S98-Y106 WeakPolarHBondContact CA-O 3.35Å; D99-Y106 PolarHBondContact N-O 3.37Å; Y106-S111 PolarHBondContact N-OG 2.97Å; Y106-V129 HydrophobicContact CD1-CB 4.2Å; Y106-V129 HydrophobicContact CD1-CG1 3.85Å; Y106-V129 HydrophobicContact CD1-CG2 3.88Å; Y106-V129 HydrophobicContact CD2-CG1 4.23Å; Y106-V129 HydrophobicContact CE1-CB 4.45Å; Y106-V129 HydrophobicContact CE1-CG1 3.73Å; Y106-V129 HydrophobicContact CE2-CG1 4.12Å; Y106-V129 HydrophobicContact CG-CG1 4.1Å; Y106-V129 HydrophobicContact CG-CG2 3.86Å; Y106-K130 PolarHBondContact OH-O 2.93Å; Y106-D131 PolarHBondContact OH-OD1 2.91Å; Y106-D131 VanDerWaalsContact OH-OD1 3.13Å |
| 107 | S | 93.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | trans | -148.6 | 142 | 177 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | D99 F105 H109 S111 | D99-S107 WeakPolarHBondContact OD2-CA 3.44Å; F105-S107 PolarHBondContact O-N 2.9Å; S107-H109 PolarHBondContact O-N 2.81Å; S107-H109 PolarHBondContact OG-N 2.92Å; S107-S111 PolarHBondContact N-OG 3.19Å; S107-S111 WeakPolarHBondContact O-CB 3.27Å; S107-S111 PolarHBondContact O-N 2.8Å; S107-S111 PolarHBondContact O-OG 3.33Å | ||
| 108 | V | 88.2 | Confident | 93.4 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.4 | 178.4 | -67.3 | 0 | 0 | 0 | 0 | 114.8 | D99 L101 Q102 | D99-V108 PolarHBondContact OD2-N 2.58Å; L101-V108 HydrophobicContact CB-CG1 4.04Å; L101-V108 HydrophobicContact CD1-CG2 4.18Å; Q102-V108 HydrophobicContact CB-CG1 3.48Å; Q102-V108 VanDerWaalsContact CB-CG1 3.48Å |
| 109 | H | 87.2 | Confident | 93.5 | Very high | 159 Ų | 159 | 61.5 Ų | 61.5 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -35.7 | -169.9 | -64.5 | -57.8 | 0 | 0 | 0 | 114.2 | S107 | S107-H109 PolarHBondContact O-N 2.81Å; S107-H109 PolarHBondContact OG-N 2.92Å |
| 110 | Q | 88 | Confident | 93.6 | Very high | 95 Ų | 95 | 59.7 Ų | 59.7 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | -19.5 | -165 | -72.2 | 174.7 | -16.9 | 0 | 0 | 113.7 | H128 | Q110-H128 CarbonylContact C-O 3.58Å; Q110-H128 VanDerWaalsContact CD-CE1 3.45Å; Q110-H128 VanDerWaalsContact CG-CE1 3.49Å; Q110-H128 WeakPolarHBondContact CG-CE1 3.44Å; Q110-H128 PolarHBondContact O-N 3.27Å; Q110-H128 PolarHBondContact OE1-NE2 3.34Å |
| 111 | S | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -95.3 | -7.7 | -172.5 | 82.5 | 0 | 0 | 0 | 0 | 113.7 | G60 L61 Y106 S107 H128 | G60-S111 CarbonylContact C-O 3.49Å; G60-S111 WeakPolarHBondContact CA-O 3.09Å; L61-S111 PolarHBondContact N-O 2.89Å; Y106-S111 PolarHBondContact N-OG 2.97Å; S107-S111 PolarHBondContact N-OG 3.19Å; S107-S111 WeakPolarHBondContact O-CB 3.27Å; S107-S111 PolarHBondContact O-N 2.8Å; S107-S111 PolarHBondContact O-OG 3.33Å; S111-H128 WeakPolarHBondContact CA-O 3.3Å |
| 112 | L | 95.9 | Very high | 93.9 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.8 | -175.1 | 73.1 | 86.7 | 0 | 0 | 0 | 113.8 | T58 I59 F105 N114 | T58-L112 HydrophobicContact CG2-CB 3.89Å; T58-L112 HydrophobicContact CG2-CD1 3.98Å; T58-L112 HydrophobicContact CG2-CG 4.4Å; I59-L112 CarbonylContact O-C 3.51Å; I59-L112 WeakPolarHBondContact O-CA 3.37Å; F105-L112 HydrophobicContact CB-CB 4.29Å; F105-L112 HydrophobicContact CB-CD2 3.7Å; F105-L112 HydrophobicContact CD1-CB 4.01Å; F105-L112 HydrophobicContact CD2-CB 4.24Å; F105-L112 HydrophobicContact CD2-CD2 3.54Å; F105-L112 HydrophobicContact CE1-CB 4.43Å; F105-L112 HydrophobicContact CE2-CD2 4.35Å; F105-L112 HydrophobicContact CG-CB 3.91Å; F105-L112 HydrophobicContact CG-CD2 3.7Å; F105-L112 HydrophobicContact CG-CG 4.47Å; L112-N114 VanDerWaalsContact CD1-ND2 3.35Å; L112-N114 WeakPolarHBondContact CD1-ND2 3.46Å |
| 113 | Y | 96.1 | Very high | 94.1 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.3 | 170.5 | -176.8 | -100 | 0 | 0 | 0 | 110.8 | T58 I59 I115 L125 | T58-Y113 WeakPolarHBondContact CA-O 3.16Å; I59-Y113 PolarHBondContact N-O 2.85Å; I59-Y113 PolarHBondContact O-N 2.88Å; Y113-I115 HydrophobicContact CD1-CD1 4.45Å; Y113-I115 HydrophobicContact CD1-CG1 3.74Å; Y113-I115 HydrophobicContact CE1-CG1 3.69Å; Y113-L125 HydrophobicContact CD1-CD1 3.61Å; Y113-L125 HydrophobicContact CD1-CD2 3.65Å; Y113-L125 HydrophobicContact CD1-CG 4.3Å; Y113-L125 HydrophobicContact CD2-CD2 3.55Å; Y113-L125 HydrophobicContact CE1-CD1 4.21Å; Y113-L125 HydrophobicContact CE1-CD2 3.76Å; Y113-L125 HydrophobicContact CE2-CD2 3.66Å; Y113-L125 HydrophobicContact CG-CD1 3.91Å; Y113-L125 HydrophobicContact CG-CD2 3.54Å; Y113-L125 HydrophobicContact CG-CG 4.37Å |
| 114 | N | 95.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.5 | -179.7 | -63.1 | -53.2 | 0 | 0 | 0 | 110.9 | T58 L112 | T58-N114 WeakPolarHBondContact CG2-OD1 3.43Å; T58-N114 PolarHBondContact OG1-OD1 3.17Å; L112-N114 VanDerWaalsContact CD1-ND2 3.35Å; L112-N114 WeakPolarHBondContact CD1-ND2 3.46Å |
| 115 | I | 96 | Very high | 94.3 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.6 | 175.8 | -59.6 | 164.4 | 0 | 0 | 0 | 107.9 | L4 F9 I48 D56 W57 Y113 L120 | L4-I115 HydrophobicContact CD2-CD1 4.08Å; L4-I115 HydrophobicContact CD2-CG2 3.92Å; F9-I115 HydrophobicContact CE1-CD1 3.68Å; F9-I115 HydrophobicContact CZ-CD1 3.98Å; I48-I115 HydrophobicContact CD1-CD1 3.62Å; D56-I115 WeakPolarHBondContact CA-O 3.48Å; W57-I115 HydrophobicContact CB-CB 4.13Å; W57-I115 HydrophobicContact CB-CD1 4.34Å; W57-I115 PolarHBondContact N-O 3.25Å; W57-I115 PolarHBondContact O-N 2.78Å; Y113-I115 HydrophobicContact CD1-CD1 4.45Å; Y113-I115 HydrophobicContact CD1-CG1 3.74Å; Y113-I115 HydrophobicContact CE1-CG1 3.69Å; I115-L120 HydrophobicContact CD1-CD2 4.28Å; I115-L120 HydrophobicContact CG1-CD2 4.48Å; I115-L120 HydrophobicContact CG2-CD1 4.41Å; I115-L120 HydrophobicContact CG2-CD2 3.98Å |
| 116 | K | 94.9 | Very high | 94.2 | Very high | 147 Ų | 147 | 71.3 Ų | 71.3 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | trans | -79.3 | 146.6 | 173.5 | -68.5 | -51.7 | -164.2 | -177.3 | 0 | 111.7 | D56 G118 | D56-K116 WeakPolarHBondContact OD2-CD 3.35Å; D56-K116 IonicContact OD2-NZ 2.78Å; D56-K116 PolarHBondContact OD2-NZ 2.9Å; K116-G118 PolarHBondContact O-N 3.49Å | ||
| 117 | K | 94.5 | Very high | 94.3 | Very high | 137 Ų | 137 | 69.7 Ų | 69.7 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -50.9 | 136 | 168.9 | 178.8 | -175.4 | 174.4 | -168.7 | 0 | 110.2 | H55 D56 | H55-K117 WeakPolarHBondContact O-CA 3.31Å; D56-K117 WeakPolarHBondContact OD1-CB 3.37Å; D56-K117 PolarHBondContact OD1-N 3.42Å |
| 118 | G | 95.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 71 Ų | 71 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.4 | -155.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I52 S53 K116 L120 | I52-G118 CarbonylContact C-O 3.54Å; I52-G118 WeakPolarHBondContact CA-O 3.05Å; S53-G118 PolarHBondContact N-O 3.05Å; S53-G118 PolarHBondContact O-N 3.26Å; K116-G118 PolarHBondContact O-N 3.49Å; G118-L120 PolarHBondContact O-N 3.43Å |
| 119 | L | 95.9 | Very high | 94.8 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.7 | -179.9 | 179.7 | 65.5 | 0 | 0 | 0 | 110.3 | M1 T50 I52 | M1-L119 HydrophobicContact CE-CD1 3.95Å; M1-L119 HydrophobicContact SD-CD1 3.69Å; T50-L119 HydrophobicContact CG2-CD1 4.24Å; I52-L119 HydrophobicContact CG1-CD1 4.19Å |
| 120 | L | 94.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.7 | 168.7 | -179 | 60.8 | 0 | 0 | 0 | 108.4 | L4 I48 T50 C51 I115 G118 | L4-L120 HydrophobicContact CD2-CD2 4.49Å; I48-L120 HydrophobicContact CB-CD2 4.19Å; I48-L120 HydrophobicContact CD1-CD2 4.34Å; I48-L120 HydrophobicContact CG2-CD2 3.49Å; I48-L120 VanDerWaalsContact CG2-CD2 3.49Å; T50-L120 CarbonylContact C-O 3.51Å; T50-L120 VanDerWaalsContact CA-O 3.28Å; T50-L120 WeakPolarHBondContact CA-O 3.5Å; C51-L120 PolarHBondContact N-O 2.91Å; C51-L120 PolarHBondContact O-N 3.44Å; C51-L120 VanDerWaalsContact O-O 3.13Å; I115-L120 HydrophobicContact CD1-CD2 4.28Å; I115-L120 HydrophobicContact CG1-CD2 4.48Å; I115-L120 HydrophobicContact CG2-CD1 4.41Å; I115-L120 HydrophobicContact CG2-CD2 3.98Å; G118-L120 PolarHBondContact O-N 3.43Å |
| 121 | K | 94.5 | Very high | 95.6 | Very high | 158 Ų | 158 | 61.4 Ų | 61.4 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 157.8 | 169.1 | -66.9 | -177.8 | 179.9 | 177.8 | 0 | 109.2 | T123 | K121-T123 PolarHBondContact O-N 3.19Å; K121-T123 PolarHBondContact O-OG1 3.21Å |
| 122 | K | 94.5 | Very high | 95.7 | Very high | 149 Ų | 149 | 65.9 Ų | 65.9 | 65% | 0.648 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 124.4 | 171.4 | -178 | -179 | 179.4 | -178.4 | 0 | 109.8 | I48 T50 | I48-K122 VanDerWaalsContact O-CA 3.3Å; I48-K122 WeakPolarHBondContact O-CA 3.3Å; T50-K122 PolarHBondContact OG1-N 2.87Å |
| 123 | T | 95.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.3 | -175.7 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | I48 K121 L125 | I48-T123 PolarHBondContact N-O 2.9Å; I48-T123 PolarHBondContact O-N 2.77Å; K121-T123 PolarHBondContact O-N 3.19Å; K121-T123 PolarHBondContact O-OG1 3.21Å; T123-L125 HydrophobicContact CG2-CD2 3.49Å; T123-L125 VanDerWaalsContact CG2-CD2 3.49Å; T123-L125 HydrophobicContact CG2-CG 4.16Å |
| 124 | G | 96.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 68 Ų | 68 | 54% | 0.536 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | I46 | I46-G124 CarbonylContact O-C 3.6Å; I46-G124 WeakPolarHBondContact O-CA 3.46Å |
| 125 | L | 95.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.9 | -175.2 | -56.5 | 175.7 | 0 | 0 | 0 | 109.7 | E45 I46 I48 I59 Y113 T123 | E45-L125 CarbonylContact C-O 3.39Å; E45-L125 WeakPolarHBondContact CA-O 3.27Å; I46-L125 HydrophobicContact CB-CB 4.29Å; I46-L125 PolarHBondContact N-O 3.41Å; I46-L125 PolarHBondContact O-N 3.46Å; I48-L125 HydrophobicContact CD1-CD1 3.63Å; I48-L125 HydrophobicContact CG1-CD1 4.24Å; I59-L125 HydrophobicContact CG2-CD1 3.92Å; Y113-L125 HydrophobicContact CD1-CD1 3.61Å; Y113-L125 HydrophobicContact CD1-CD2 3.65Å; Y113-L125 HydrophobicContact CD1-CG 4.3Å; Y113-L125 HydrophobicContact CD2-CD2 3.55Å; Y113-L125 HydrophobicContact CE1-CD1 4.21Å; Y113-L125 HydrophobicContact CE1-CD2 3.76Å; Y113-L125 HydrophobicContact CE2-CD2 3.66Å; Y113-L125 HydrophobicContact CG-CD1 3.91Å; Y113-L125 HydrophobicContact CG-CD2 3.54Å; Y113-L125 HydrophobicContact CG-CG 4.37Å; T123-L125 HydrophobicContact CG2-CD2 3.49Å; T123-L125 VanDerWaalsContact CG2-CD2 3.49Å; T123-L125 HydrophobicContact CG2-CG 4.16Å |
| 126 | N | 96.7 | Very high | 95.6 | Very high | 121 Ų | 121 | 65.5 Ų | 65.5 | 65% | 0.647 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115 | 168.3 | -63.1 | -58.5 | 0 | 0 | 0 | 107.7 | V44 E45 | V44-N126 WeakPolarHBondContact O-CA 3.41Å; E45-N126 WeakPolarHBondContact CG-OD1 3.45Å |
| 127 | L | 97.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.4 | 175.7 | -56.5 | 175.7 | 0 | 0 | 0 | 108.2 | V44 I46 I59 L61 L162 | V44-L127 HydrophobicContact CB-CB 4.47Å; V44-L127 PolarHBondContact N-O 3.33Å; V44-L127 PolarHBondContact O-N 2.6Å; I46-L127 HydrophobicContact CD1-CD1 3.88Å; I59-L127 HydrophobicContact CG1-CD1 4.29Å; I59-L127 HydrophobicContact CG2-CD1 4.49Å; L61-L127 HydrophobicContact CD1-CB 4.06Å; L61-L127 HydrophobicContact CG-CB 4.35Å; L127-L162 HydrophobicContact CD1-CD1 4.21Å |
| 128 | H | 96.4 | Very high | 95.6 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.5 | 173.4 | 63.8 | -81.4 | 0 | 0 | 0 | 114.4 | C42 E43 Q110 S111 | C42-H128 CarbonylContact O-C 3.5Å; C42-H128 WeakPolarHBondContact O-CA 3.13Å; C42-H128 WeakPolarHBondContact O-CB 3.37Å; E43-H128 HydrophobicContact CG-CB 4.46Å; Q110-H128 CarbonylContact C-O 3.58Å; Q110-H128 VanDerWaalsContact CD-CE1 3.45Å; Q110-H128 VanDerWaalsContact CG-CE1 3.49Å; Q110-H128 WeakPolarHBondContact CG-CE1 3.44Å; Q110-H128 PolarHBondContact O-N 3.27Å; Q110-H128 PolarHBondContact OE1-NE2 3.34Å; S111-H128 WeakPolarHBondContact CA-O 3.3Å |
| 129 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.7 | 159.1 | 170.9 | 0 | 0 | 0 | 0 | 106.4 | Y41 C42 L61 Y106 D131 I160 | Y41-V129 WeakPolarHBondContact CA-O 3.19Å; C42-V129 HydrophobicContact CB-CB 4.22Å; C42-V129 PolarHBondContact N-O 3.38Å; C42-V129 PolarHBondContact O-N 2.93Å; L61-V129 HydrophobicContact CB-CG2 3.85Å; L61-V129 HydrophobicContact CD1-CG2 3.94Å; Y106-V129 HydrophobicContact CD1-CB 4.2Å; Y106-V129 HydrophobicContact CD1-CG1 3.85Å; Y106-V129 HydrophobicContact CD1-CG2 3.88Å; Y106-V129 HydrophobicContact CD2-CG1 4.23Å; Y106-V129 HydrophobicContact CE1-CB 4.45Å; Y106-V129 HydrophobicContact CE1-CG1 3.73Å; Y106-V129 HydrophobicContact CE2-CG1 4.12Å; Y106-V129 HydrophobicContact CG-CG1 4.1Å; Y106-V129 HydrophobicContact CG-CG2 3.86Å; V129-D131 HydrophobicContact CG1-CB 4.2Å; V129-I160 HydrophobicContact CB-CD1 4.42Å; V129-I160 HydrophobicContact CG1-CD1 4.42Å; V129-I160 HydrophobicContact CG2-CD1 4.49Å |
| 130 | K | 95.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.6 | 167.6 | 174.6 | -174.5 | 179.4 | -177.7 | 0 | 105.8 | T39 F40 Y41 Y106 | T39-K130 HydrophobicContact CG2-CD 4.43Å; T39-K130 HydrophobicContact CG2-CG 3.72Å; F40-K130 WeakPolarHBondContact O-CA 3.46Å; Y41-K130 HydrophobicContact CD1-CB 4.06Å; Y41-K130 HydrophobicContact CD1-CG 4.18Å; Y41-K130 HydrophobicContact CE1-CB 3.78Å; Y41-K130 HydrophobicContact CE1-CD 3.81Å; Y41-K130 HydrophobicContact CE1-CG 3.55Å; Y41-K130 VanDerWaalsContact OH-CE 3.27Å; Y41-K130 WeakPolarHBondContact OH-CE 3.5Å; Y106-K130 PolarHBondContact OH-O 2.93Å |
| 131 | D | 95.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.6 | -174.1 | -154.7 | -7 | 0 | 0 | 0 | 111.7 | T39 F40 Q63 Y106 V129 W185 | T39-D131 WeakPolarHBondContact CA-O 3.46Å; F40-D131 HydrophobicContact CD1-CB 4.34Å; F40-D131 PolarHBondContact N-O 2.77Å; F40-D131 PolarHBondContact O-N 2.91Å; Q63-D131 PolarHBondContact NE2-OD2 3.01Å; Y106-D131 PolarHBondContact OH-OD1 2.91Å; Y106-D131 VanDerWaalsContact OH-OD1 3.13Å; V129-D131 HydrophobicContact CG1-CB 4.2Å; D131-W185 HydrophobicContact CB-CH2 4.2Å; D131-W185 HydrophobicContact CB-CZ2 4.08Å; D131-W185 WeakPolarHBondContact OD2-CZ2 3.49Å |
| 132 | Y | 95.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 37% | 0.373 | 25% | 0.249 | S | C | . | . | trans | -162.1 | 148.3 | 174.6 | 57.2 | -91.3 | 0 | 0 | 0 | 108.4 | K36 T39 H134 | K36-Y132 HydrophobicContact CD-CD2 4.36Å; K36-Y132 HydrophobicContact CD-CE2 4.44Å; K36-Y132 HydrophobicContact CG-CD2 3.89Å; K36-Y132 HydrophobicContact CG-CE2 4.37Å; T39-Y132 HydrophobicContact CG2-CD1 4.33Å; Y132-H134 HydrophobicContact CD2-CB 4.29Å; Y132-H134 HydrophobicContact CE2-CB 4.25Å | ||
| 133 | F | 95.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | trans | -91.3 | 136.8 | 174.9 | -47.5 | -67.5 | 0 | 0 | 0 | 109.2 | K36 T37 P135 F158 W185 Y187 | K36-F133 WeakPolarHBondContact CA-O 3.17Å; T37-F133 HydrophobicContact CG2-CB 3.83Å; T37-F133 HydrophobicContact CG2-CD2 4.01Å; T37-F133 HydrophobicContact CG2-CG 4.44Å; T37-F133 PolarHBondContact N-O 2.83Å; T37-F133 WeakPolarHBondContact OG1-CD2 3.09Å; T37-F133 PolarHBondContact OG1-N 3.48Å; F133-P135 VanDerWaalsContact C-CD 3.47Å; F133-F158 HydrophobicContact CE1-CE2 4.3Å; F133-F158 AromaticContact CE1-CZ 3.86Å; F133-F158 HydrophobicContact CE1-CZ 3.86Å; F133-F158 AromaticContact CZ-CE2 3.66Å; F133-F158 HydrophobicContact CZ-CE2 3.66Å; F133-F158 AromaticContact CZ-CZ 3.69Å; F133-F158 HydrophobicContact CZ-CZ 3.69Å; F133-W185 HydrophobicContact CE2-CH2 4.39Å; F133-W185 AromaticContact CZ-CH2 3.93Å; F133-W185 HydrophobicContact CZ-CH2 3.93Å; F133-Y187 HydrophobicContact CD2-CD1 4.1Å; F133-Y187 HydrophobicContact CD2-CE1 4.36Å; F133-Y187 HydrophobicContact CD2-CG 4.41Å; F133-Y187 AromaticContact CE2-CD1 3.81Å; F133-Y187 HydrophobicContact CE2-CD1 3.81Å; F133-Y187 HydrophobicContact CE2-CD2 4.27Å; F133-Y187 HydrophobicContact CE2-CE1 4.45Å; F133-Y187 AromaticContact CE2-CG 3.73Å; F133-Y187 HydrophobicContact CE2-CG 3.73Å | ||
| 134 | H | 95.8 | Very high | 92.1 | Very high | 104 Ų | 104 | 43 Ų | 43 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | trans | -134.2 | 56.9 | 177 | -169.5 | -138.6 | 0 | 0 | 0 | 112.6 | Y35 Y132 | Y35-H134 CarbonylContact O-C 3.59Å; Y35-H134 VanDerWaalsContact O-CA 3.3Å; Y35-H134 WeakPolarHBondContact O-CA 3.01Å; Y35-H134 PolarHBondContact O-CD2 3.23Å; Y132-H134 HydrophobicContact CD2-CB 4.29Å; Y132-H134 HydrophobicContact CE2-CB 4.25Å | ||
| 135 | P | 95.7 | Very high | 91 | Very high | 17 Ų | 17 | 44 Ų | 44 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | trans | -80.4 | 164.2 | -175.4 | 34.7 | -37.9 | 0 | 0 | 0 | 113 | Y35 F133 | Y35-P135 HydrophobicContact CD1-CG 4.03Å; Y35-P135 HydrophobicContact CD2-CG 4.22Å; Y35-P135 HydrophobicContact CE1-CG 3.37Å; Y35-P135 HydrophobicContact CE2-CG 3.58Å; Y35-P135 HydrophobicContact CG-CG 4.42Å; Y35-P135 PolarHBondContact N-O 2.88Å; Y35-P135 WeakPolarHBondContact O-CD 3.18Å; Y35-P135 VanDerWaalsContact OH-CG 3.27Å; Y35-P135 WeakPolarHBondContact OH-CG 3.38Å; F133-P135 VanDerWaalsContact C-CD 3.47Å | ||
| 136 | S | 95.5 | Very high | 90.1 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.1 | 170.2 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | L33 H34 | L33-S136 WeakPolarHBondContact O-CA 3.39Å; H34-S136 PolarHBondContact CE1-OG 2.86Å; H34-S136 PolarHBondContact ND1-OG 2.97Å |
| 137 | V | 96 | Very high | 89.2 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.9 | -177.2 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | M32 L33 Y35 N72 L149 I152 | M32-V137 CarbonylContact C-O 3.52Å; M32-V137 WeakPolarHBondContact CA-O 3.07Å; M32-V137 WeakPolarHBondContact CB-O 3.31Å; L33-V137 PolarHBondContact N-O 2.65Å; L33-V137 PolarHBondContact O-N 2.63Å; Y35-V137 HydrophobicContact CE1-CG2 3.97Å; N72-V137 HydrophobicContact CB-CG1 4.12Å; N72-V137 WeakPolarHBondContact OD1-CG1 3.44Å; V137-L149 HydrophobicContact CB-CD2 4.47Å; V137-L149 HydrophobicContact CG1-CD1 4.03Å; V137-L149 HydrophobicContact CG1-CD2 3.77Å; V137-I152 HydrophobicContact CB-CD1 4.17Å; V137-I152 HydrophobicContact CG1-CD1 4.23Å; V137-I152 HydrophobicContact CG1-CG1 4.44Å; V137-I152 HydrophobicContact CG2-CD1 3.94Å |
| 138 | V | 93.8 | Very high | 88.9 | Confident | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 140.5 | 179 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | M32 Y74 E140 L141 I288 I292 | M32-V138 HydrophobicContact CE-CG1 3.82Å; M32-V138 HydrophobicContact CG-CG1 3.98Å; M32-V138 HydrophobicContact SD-CG1 4.03Å; Y74-V138 WeakPolarHBondContact OH-CG2 3Å; Y74-V138 PolarHBondContact OH-O 3.01Å; V138-E140 VanDerWaalsContact C-N 3.33Å; V138-L141 HydrophobicContact CG2-CD2 3.72Å; V138-L141 HydrophobicContact CG2-CG 4.32Å; V138-I288 HydrophobicContact CG1-CG2 4.38Å; V138-I292 HydrophobicContact CG1-CD1 4.28Å |
| 139 | W | 93 | Very high | 88.8 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -67.1 | -35.2 | 175.4 | -62.3 | 126.1 | 0 | 0 | 0 | 112.9 | E28 T29 S31 M32 L33 Y74 R148 L149 V193 R202 I203 | E28-W139 HydrophobicContact CB-CZ2 3.95Å; E28-W139 HydrophobicContact CG-CH2 4.02Å; E28-W139 HydrophobicContact CG-CZ2 3.88Å; T29-W139 PolarHBondContact O-NE1 3.07Å; S31-W139 VanDerWaalsContact O-CD1 3.23Å; S31-W139 PolarHBondContact O-N 2.87Å; M32-W139 VanDerWaalsContact C-CE2 3.49Å; M32-W139 VanDerWaalsContact N-CD1 3.29Å; M32-W139 PolarHBondContact O-NE1 2.89Å; L33-W139 HydrophobicContact CB-CH2 3.57Å; L33-W139 HydrophobicContact CB-CZ2 3.84Å; L33-W139 HydrophobicContact CB-CZ3 3.95Å; L33-W139 HydrophobicContact CD1-CH2 3.95Å; L33-W139 HydrophobicContact CD1-CZ2 4.4Å; L33-W139 HydrophobicContact CD2-CH2 4.47Å; L33-W139 HydrophobicContact CG-CH2 4.19Å; Y74-W139 WeakPolarHBondContact CE1-O 3.32Å; W139-R148 CarbonylContact O-C 3.5Å; W139-R148 VanDerWaalsContact O-CA 3.25Å; W139-R148 WeakPolarHBondContact O-CA 3.46Å; W139-L149 HydrophobicContact CE3-CB 4.21Å; W139-L149 HydrophobicContact CE3-CD2 3.86Å; W139-L149 HydrophobicContact CZ3-CD2 3.92Å; W139-L149 PolarHBondContact O-N 2.9Å; W139-V193 HydrophobicContact CE3-CG1 4.37Å; W139-V193 HydrophobicContact CZ3-CG1 3.74Å; W139-R202 VanDerWaalsContact CD2-NH1 3.27Å; W139-R202 HydrophobicContact CH2-CB 4.23Å; W139-R202 HydrophobicContact CZ3-CB 4.44Å; W139-I203 HydrophobicContact CH2-CD1 4.29Å |
| 140 | E | 90.9 | Very high | 88.8 | Confident | 85 Ų | 85 | 43.1 Ų | 43.1 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -139.2 | 142.2 | -178 | 174.5 | 176 | 168.9 | 0 | 0 | 109.2 | V138 G146 V147 | V138-E140 VanDerWaalsContact C-N 3.33Å; E140-G146 VanDerWaalsContact CD-CA 3.45Å; E140-G146 WeakPolarHBondContact OE1-CA 3.43Å; E140-G146 PolarHBondContact OE1-N 2.96Å; E140-V147 WeakPolarHBondContact CA-O 3.22Å |
| 141 | L | 86.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -90.3 | 134.4 | 171.6 | -68.4 | 167.7 | 0 | 0 | 0 | 109.8 | Y74 V138 F143 S144 W243 L255 I288 | Y74-L141 HydrophobicContact CD2-CD1 4.17Å; Y74-L141 HydrophobicContact CE1-CD1 4.45Å; Y74-L141 HydrophobicContact CE1-CG 4.09Å; Y74-L141 HydrophobicContact CE2-CD1 3.91Å; Y74-L141 HydrophobicContact CE2-CG 4.27Å; V138-L141 HydrophobicContact CG2-CD2 3.72Å; V138-L141 HydrophobicContact CG2-CG 4.32Å; L141-F143 HydrophobicContact CB-CD2 4.48Å; L141-F143 HydrophobicContact CB-CE1 4.39Å; L141-F143 HydrophobicContact CB-CE2 3.9Å; L141-F143 HydrophobicContact CB-CZ 3.81Å; L141-F143 HydrophobicContact CD1-CE2 4.07Å; L141-F143 HydrophobicContact CD1-CZ 4.11Å; L141-F143 HydrophobicContact CD2-CZ 4.05Å; L141-F143 HydrophobicContact CG-CE2 4.47Å; L141-F143 HydrophobicContact CG-CZ 4.22Å; L141-F143 PolarHBondContact O-N 2.8Å; L141-S144 WeakPolarHBondContact O-CB 3.47Å; L141-S144 PolarHBondContact O-N 2.68Å; L141-S144 PolarHBondContact O-OG 2.71Å; L141-W243 HydrophobicContact CD1-CD2 3.88Å; L141-W243 HydrophobicContact CD1-CE3 3.23Å; L141-W243 HydrophobicContact CD1-CH2 4.1Å; L141-W243 HydrophobicContact CD1-CZ3 3.36Å; L141-L255 HydrophobicContact CD2-CD1 3.99Å; L141-I288 HydrophobicContact CD2-CD1 3.75Å | ||
| 142 | P | 78.8 | Confident | 89 | Confident | 95 Ų | 95 | 40.7 Ų | 40.7 | 62% | 0.617 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -28.4 | -173.7 | -28 | 33.6 | 0 | 0 | 0 | 115.7 | ||
| 143 | F | 75.6 | Confident | 89.1 | Confident | 61 Ų | 61 | 37.6 Ų | 37.6 | 27% | 0.268 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 2.4 | -177.1 | 47.4 | -97.2 | 0 | 0 | 0 | 113.1 | L141 W243 L255 E287 | L141-F143 HydrophobicContact CB-CD2 4.48Å; L141-F143 HydrophobicContact CB-CE1 4.39Å; L141-F143 HydrophobicContact CB-CE2 3.9Å; L141-F143 HydrophobicContact CB-CZ 3.81Å; L141-F143 HydrophobicContact CD1-CE2 4.07Å; L141-F143 HydrophobicContact CD1-CZ 4.11Å; L141-F143 HydrophobicContact CD2-CZ 4.05Å; L141-F143 HydrophobicContact CG-CE2 4.47Å; L141-F143 HydrophobicContact CG-CZ 4.22Å; L141-F143 PolarHBondContact O-N 2.8Å; F143-W243 HydrophobicContact CE2-CB 4.32Å; F143-W243 AromaticContact CE2-CD1 3.96Å; F143-W243 HydrophobicContact CE2-CD2 4.25Å; F143-W243 AromaticContact CE2-CG 3.92Å; F143-W243 HydrophobicContact CE2-CG 3.92Å; F143-L255 HydrophobicContact CE1-CD2 3.54Å; F143-L255 HydrophobicContact CE2-CD2 4.17Å; F143-L255 HydrophobicContact CZ-CD1 4.11Å; F143-L255 HydrophobicContact CZ-CD2 3.19Å; F143-L255 HydrophobicContact CZ-CG 4.27Å; F143-E287 WeakPolarHBondContact CD1-OE2 3.43Å |
| 144 | S | 71.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 36 Ų | 36 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22.2 | -179.9 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | L141 V147 | L141-S144 WeakPolarHBondContact O-CB 3.47Å; L141-S144 PolarHBondContact O-N 2.68Å; L141-S144 PolarHBondContact O-OG 2.71Å; S144-V147 WeakPolarHBondContact O-CG2 3.28Å; S144-V147 PolarHBondContact OG-N 3.01Å; S144-V147 PolarHBondContact OG-O 3.41Å |
| 145 | G | 73.6 | Confident | 89.2 | Confident | 73 Ų | 73 | 36.7 Ų | 36.7 | 75% | 0.753 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 81.9 | 46 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 146 | G | 75.5 | Confident | 89.2 | Confident | 36 Ų | 36 | 36.9 Ų | 36.9 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 92 | 3.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E140 R148 | E140-G146 VanDerWaalsContact CD-CA 3.45Å; E140-G146 WeakPolarHBondContact OE1-CA 3.43Å; E140-G146 PolarHBondContact OE1-N 2.96Å; G146-R148 WeakPolarHBondContact O-CG 3.47Å |
| 147 | V | 78.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | trans | -78.9 | 133.1 | -173.2 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | Y74 E75 I77 E140 S144 | Y74-V147 VanDerWaalsContact C-CG1 3.44Å; Y74-V147 WeakPolarHBondContact O-CG1 3.45Å; E75-V147 HydrophobicContact CB-CG1 3.84Å; I77-V147 HydrophobicContact CB-CG1 4.11Å; I77-V147 HydrophobicContact CB-CG2 4.33Å; I77-V147 HydrophobicContact CD1-CB 4.2Å; I77-V147 HydrophobicContact CD1-CG1 3.79Å; I77-V147 HydrophobicContact CD1-CG2 3.26Å; I77-V147 HydrophobicContact CG1-CG1 4.33Å; I77-V147 HydrophobicContact CG1-CG2 4.34Å; I77-V147 HydrophobicContact CG2-CG2 4.34Å; E140-V147 WeakPolarHBondContact CA-O 3.22Å; S144-V147 WeakPolarHBondContact O-CG2 3.28Å; S144-V147 PolarHBondContact OG-N 3.01Å; S144-V147 PolarHBondContact OG-O 3.41Å | ||
| 148 | R | 90.8 | Very high | 89.2 | Confident | 100 Ų | 100 | 38.8 Ų | 38.8 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -113.4 | 148.5 | -168.9 | -55.6 | -177.3 | -178.1 | 178.6 | 2.2 | 112.4 | Y74 E75 W139 G146 T150 P195 | Y74-R148 CarbonylContact C-O 3.57Å; Y74-R148 VanDerWaalsContact CA-O 3.29Å; Y74-R148 WeakPolarHBondContact CA-O 3.47Å; E75-R148 PolarHBondContact N-O 2.87Å; W139-R148 CarbonylContact O-C 3.5Å; W139-R148 VanDerWaalsContact O-CA 3.25Å; W139-R148 WeakPolarHBondContact O-CA 3.46Å; G146-R148 WeakPolarHBondContact O-CG 3.47Å; R148-T150 PolarHBondContact O-N 3.13Å; R148-P195 HydrophobicContact CB-CB 3.27Å; R148-P195 HydrophobicContact CB-CG 3.77Å; R148-P195 HydrophobicContact CG-CB 4.07Å; R148-P195 PolarHBondContact NH1-O 2.82Å |
| 149 | L | 95.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 129.1 | 174.5 | -177.2 | 70.1 | 0 | 0 | 0 | 110.5 | N72 Y74 V137 W139 I152 V193 | N72-L149 HydrophobicContact CB-CD1 3.75Å; Y74-L149 HydrophobicContact CD1-CB 4.4Å; Y74-L149 HydrophobicContact CE1-CB 4.07Å; Y74-L149 HydrophobicContact CE1-CD1 4.48Å; Y74-L149 HydrophobicContact CE2-CD1 4.35Å; V137-L149 HydrophobicContact CB-CD2 4.47Å; V137-L149 HydrophobicContact CG1-CD1 4.03Å; V137-L149 HydrophobicContact CG1-CD2 3.77Å; W139-L149 HydrophobicContact CE3-CB 4.21Å; W139-L149 HydrophobicContact CE3-CD2 3.86Å; W139-L149 HydrophobicContact CZ3-CD2 3.92Å; W139-L149 PolarHBondContact O-N 2.9Å; L149-I152 HydrophobicContact CD1-CG1 4.06Å; L149-I152 HydrophobicContact CD2-CD1 4.02Å; L149-I152 HydrophobicContact CD2-CG1 4.09Å; L149-I152 HydrophobicContact CG-CG1 4.47Å; L149-V193 HydrophobicContact CD2-CG2 4.13Å; L149-V193 HydrophobicContact CG-CG2 4.22Å; L149-V193 WeakPolarHBondContact O-CG1 3.1Å |
| 150 | T | 96.3 | Very high | 89.4 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | -24.8 | 178.8 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | D73 E75 R148 V193 P195 | D73-T150 PolarHBondContact O-N 2.89Å; D73-T150 PolarHBondContact O-OG1 3.31Å; D73-T150 VanDerWaalsContact O-OG1 3.09Å; D73-T150 PolarHBondContact OD1-OG1 3.01Å; E75-T150 HydrophobicContact CB-CG2 4.01Å; E75-T150 HydrophobicContact CG-CG2 4.31Å; E75-T150 PolarHBondContact N-OG1 2.77Å; R148-T150 PolarHBondContact O-N 3.13Å; T150-V193 PolarHBondContact O-N 3.03Å; T150-V193 VanDerWaalsContact O-O 3.1Å; T150-P195 HydrophobicContact CG2-CG 4.11Å |
| 151 | E | 97.2 | Very high | 89.7 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 144.4 | 179.2 | -179.6 | 165.8 | -144.3 | 0 | 0 | 111.9 | N72 D73 I153 C190 I191 K192 | N72-E151 CarbonylContact C-O 3.5Å; N72-E151 WeakPolarHBondContact CA-O 3.01Å; D73-E151 HydrophobicContact CB-CB 4.21Å; D73-E151 PolarHBondContact N-O 2.97Å; D73-E151 PolarHBondContact O-N 3.43Å; E151-I153 HydrophobicContact CG-CD1 4.27Å; E151-I153 HydrophobicContact CG-CG1 3.74Å; E151-C190 PolarHBondContact OE1-SG 2.86Å; E151-I191 CarbonylContact C-O 3.54Å; E151-I191 VanDerWaalsContact CA-O 3.31Å; E151-I191 WeakPolarHBondContact CA-O 3.34Å; E151-K192 HydrophobicContact CG-CD 4.22Å; E151-K192 WeakPolarHBondContact OE1-CE 3.32Å; E151-K192 IonicContact OE1-NZ 2.68Å; E151-K192 PolarHBondContact OE1-NZ 2.53Å; E151-K192 IonicContact OE2-NZ 3.95Å; E151-K192 PolarHBondContact OE2-NZ 3.04Å |
| 152 | I | 98.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.2 | 165.3 | -58.4 | 167.9 | 0 | 0 | 0 | 107.6 | L33 Y35 A71 V137 L149 C190 I191 | L33-I152 HydrophobicContact CD2-CD1 3.52Å; Y35-I152 HydrophobicContact CD1-CD1 4.3Å; Y35-I152 HydrophobicContact CE1-CD1 3.92Å; Y35-I152 HydrophobicContact CE1-CG2 4.2Å; A71-I152 WeakPolarHBondContact O-CA 3.4Å; V137-I152 HydrophobicContact CB-CD1 4.17Å; V137-I152 HydrophobicContact CG1-CD1 4.23Å; V137-I152 HydrophobicContact CG1-CG1 4.44Å; V137-I152 HydrophobicContact CG2-CD1 3.94Å; L149-I152 HydrophobicContact CD1-CG1 4.06Å; L149-I152 HydrophobicContact CD2-CD1 4.02Å; L149-I152 HydrophobicContact CD2-CG1 4.09Å; L149-I152 HydrophobicContact CG-CG1 4.47Å; I152-C190 CarbonylContact O-C 3.58Å; I152-C190 VanDerWaalsContact O-CA 3.29Å; I152-C190 WeakPolarHBondContact O-CA 3.38Å; I152-I191 HydrophobicContact CB-CB 4.17Å; I152-I191 HydrophobicContact CD1-CD1 4.33Å; I152-I191 PolarHBondContact N-O 2.57Å; I152-I191 PolarHBondContact O-N 3Å |
| 153 | I | 97.8 | Very high | 90.9 | Very high | 29 Ų | 29 | 29.3 Ų | 29.3 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120 | 174.7 | -51.6 | 179.8 | 0 | 0 | 0 | 108.1 | Y69 L70 A71 E151 R155 L189 | Y69-I153 HydrophobicContact CD1-CG2 3.96Å; Y69-I153 HydrophobicContact CE1-CB 4.05Å; Y69-I153 HydrophobicContact CE1-CD1 4.46Å; Y69-I153 HydrophobicContact CE1-CG2 3.78Å; L70-I153 CarbonylContact C-O 3.54Å; L70-I153 WeakPolarHBondContact CA-O 3.48Å; A71-I153 PolarHBondContact N-O 2.86Å; A71-I153 PolarHBondContact O-N 2.93Å; E151-I153 HydrophobicContact CG-CD1 4.27Å; E151-I153 HydrophobicContact CG-CG1 3.74Å; I153-R155 HydrophobicContact CG2-CG 4.2Å; I153-L189 WeakPolarHBondContact CA-O 3.35Å |
| 154 | G | 96.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y69 D188 L189 | Y69-G154 CarbonylContact O-C 3.59Å; G154-D188 CarbonylContact O-C 3.47Å; G154-D188 WeakPolarHBondContact O-CA 3.2Å; G154-L189 PolarHBondContact N-O 3.26Å; G154-L189 PolarHBondContact O-N 3.04Å |
| 155 | R | 96.2 | Very high | 92.9 | Very high | 118 Ų | 118 | 25.7 Ų | 25.7 | 45% | 0.445 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 114.8 | 172.1 | -55.4 | -170.7 | -178.7 | 150.7 | 1 | 109.4 | Y67 M68 Y69 I153 Y187 D188 | Y67-R155 HydrophobicContact CE1-CB 3.98Å; M68-R155 CarbonylContact C-O 3.55Å; M68-R155 WeakPolarHBondContact CA-O 3.37Å; Y69-R155 PolarHBondContact N-O 2.8Å; Y69-R155 PolarHBondContact O-N 3.32Å; I153-R155 HydrophobicContact CG2-CG 4.2Å; R155-Y187 CarbonylContact C-O 3.53Å; R155-Y187 VanDerWaalsContact CA-O 3.28Å; R155-Y187 WeakPolarHBondContact CA-O 3.39Å; R155-D188 WeakPolarHBondContact CD-OD1 3.34Å; R155-D188 WeakPolarHBondContact CG-OD1 3.15Å; R155-D188 IonicContact NE-OD1 3.71Å |
| 156 | Q | 95.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150 | -177.3 | -70.1 | 171.4 | -87 | 0 | 0 | 111.2 | Y67 M68 F158 E186 Y187 | Y67-Q156 CarbonylContact O-C 3.36Å; Y67-Q156 VanDerWaalsContact O-CA 3.3Å; Y67-Q156 WeakPolarHBondContact O-CA 3.45Å; M68-Q156 HydrophobicContact CB-CG 4.2Å; M68-Q156 HydrophobicContact CG-CG 3.88Å; Q156-F158 HydrophobicContact CB-CD2 4.32Å; Q156-F158 HydrophobicContact CB-CE2 3.4Å; Q156-F158 HydrophobicContact CB-CZ 3.82Å; Q156-F158 HydrophobicContact CG-CE2 4.43Å; Q156-F158 HydrophobicContact CG-CZ 4.43Å; Q156-E186 CarbonylContact O-C 3.57Å; Q156-E186 WeakPolarHBondContact O-CA 3.29Å; Q156-Y187 PolarHBondContact N-O 3.03Å; Q156-Y187 PolarHBondContact O-N 3.02Å |
| 157 | K | 95.6 | Very high | 94.7 | Very high | 60 Ų | 60 | 25.1 Ų | 25.1 | 26% | 0.261 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.8 | 178.1 | -47.3 | -178.3 | -177.8 | -122.3 | 0 | 109.6 | C65 D66 Y67 E186 | C65-K157 WeakPolarHBondContact CA-O 3.4Å; C65-K157 PolarHBondContact SG-O 2.89Å; D66-K157 PolarHBondContact N-O 3.22Å; D66-K157 VanDerWaalsContact OD1-CB 3.3Å; D66-K157 WeakPolarHBondContact OD1-CB 3.39Å; Y67-K157 HydrophobicContact CD1-CD 4.07Å; Y67-K157 HydrophobicContact CD1-CG 3.86Å; Y67-K157 HydrophobicContact CG-CD 4.09Å; Y67-K157 HydrophobicContact CG-CG 4.17Å; Y67-K157 PolarHBondContact O-N 2.9Å; K157-E186 HydrophobicContact CB-CG 4.06Å; K157-E186 HydrophobicContact CD-CG 4.24Å; K157-E186 HydrophobicContact CG-CB 4.17Å; K157-E186 HydrophobicContact CG-CG 3.86Å; K157-E186 IonicContact NZ-OE1 3.75Å; K157-E186 PolarHBondContact NZ-OE1 3.11Å; K157-E186 IonicContact NZ-OE2 2.66Å; K157-E186 PolarHBondContact NZ-OE2 3.01Å |
| 158 | F | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.1 | -170.4 | -62 | -90.4 | 0 | 0 | 0 | 111.6 | Q63 A64 C65 D97 F133 Q156 R184 W185 | Q63-F158 HydrophobicContact CG-CB 4.32Å; Q63-F158 HydrophobicContact CG-CD1 4.07Å; A64-F158 CarbonylContact O-C 3.57Å; A64-F158 VanDerWaalsContact O-CA 3.29Å; A64-F158 WeakPolarHBondContact O-CA 3.34Å; C65-F158 HydrophobicContact CB-CD1 3.84Å; C65-F158 HydrophobicContact CB-CE1 3.68Å; D97-F158 WeakPolarHBondContact OD2-CE1 3.27Å; F133-F158 HydrophobicContact CE1-CE2 4.3Å; F133-F158 AromaticContact CE1-CZ 3.86Å; F133-F158 HydrophobicContact CE1-CZ 3.86Å; F133-F158 AromaticContact CZ-CE2 3.66Å; F133-F158 HydrophobicContact CZ-CE2 3.66Å; F133-F158 AromaticContact CZ-CZ 3.69Å; F133-F158 HydrophobicContact CZ-CZ 3.69Å; Q156-F158 HydrophobicContact CB-CD2 4.32Å; Q156-F158 HydrophobicContact CB-CE2 3.4Å; Q156-F158 HydrophobicContact CB-CZ 3.82Å; Q156-F158 HydrophobicContact CG-CE2 4.43Å; Q156-F158 HydrophobicContact CG-CZ 4.43Å; F158-R184 WeakPolarHBondContact O-CA 3.15Å; F158-W185 HydrophobicContact CB-CD2 4.21Å; F158-W185 HydrophobicContact CB-CG 4.23Å; F158-W185 HydrophobicContact CB-CZ2 4.13Å; F158-W185 VanDerWaalsContact CB-NE1 3.26Å; F158-W185 HydrophobicContact CD1-CZ2 4.33Å; F158-W185 HydrophobicContact CD2-CD2 4.01Å; F158-W185 AromaticContact CD2-CE2 3.56Å; F158-W185 HydrophobicContact CD2-CE3 4.27Å; F158-W185 AromaticContact CD2-CH2 3.74Å; F158-W185 HydrophobicContact CD2-CH2 3.74Å; F158-W185 AromaticContact CD2-CZ2 3.41Å; F158-W185 HydrophobicContact CD2-CZ2 3.41Å; F158-W185 VanDerWaalsContact CD2-CZ2 3.41Å; F158-W185 HydrophobicContact CD2-CZ3 4.16Å; F158-W185 AromaticContact CE2-CH2 3.75Å; F158-W185 HydrophobicContact CE2-CH2 3.75Å; F158-W185 AromaticContact CE2-CZ2 3.79Å; F158-W185 HydrophobicContact CE2-CZ2 3.79Å; F158-W185 HydrophobicContact CE2-CZ3 4.3Å; F158-W185 HydrophobicContact CG-CD2 4.45Å; F158-W185 AromaticContact CG-CE2 3.71Å; F158-W185 HydrophobicContact CG-CH2 4.47Å; F158-W185 AromaticContact CG-CZ2 3.71Å; F158-W185 HydrophobicContact CG-CZ2 3.71Å; F158-W185 AromaticContact CG-NE1 3.84Å; F158-W185 HydrophobicContact CZ-CH2 4.48Å; F158-W185 HydrophobicContact CZ-CZ2 4.39Å; F158-W185 PolarHBondContact N-O 3.26Å; F158-W185 PolarHBondContact O-N 2.95Å |
| 159 | L | 95.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.7 | 171.4 | -66.1 | 175.4 | 0 | 0 | 0 | 108.6 | Q63 A64 W161 I183 R184 | Q63-L159 CarbonylContact C-O 3.54Å; Q63-L159 VanDerWaalsContact CA-O 3.32Å; Q63-L159 WeakPolarHBondContact CA-O 3.43Å; A64-L159 PolarHBondContact N-O 3.17Å; A64-L159 PolarHBondContact O-N 2.79Å; L159-W161 HydrophobicContact CB-CE3 4.39Å; L159-W161 HydrophobicContact CB-CH2 3.34Å; L159-W161 HydrophobicContact CB-CZ2 3.68Å; L159-W161 HydrophobicContact CB-CZ3 3.73Å; L159-W161 HydrophobicContact CD1-CH2 3.78Å; L159-W161 HydrophobicContact CD1-CZ2 3.69Å; L159-W161 HydrophobicContact CG-CH2 4.22Å; L159-W161 HydrophobicContact CG-CZ2 4.32Å; L159-W161 WeakPolarHBondContact O-CZ3 3.47Å; L159-I183 CarbonylContact C-O 3.51Å; L159-I183 WeakPolarHBondContact CA-O 3.43Å; L159-R184 HydrophobicContact CD2-CB 3.82Å; L159-R184 HydrophobicContact CD2-CG 4.04Å |
| 160 | I | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.2 | 171.5 | -57.9 | 171.9 | 0 | 0 | 0 | 108.6 | F40 C42 L61 V62 Q63 V129 K182 I183 | F40-I160 HydrophobicContact CE1-CD1 3.63Å; F40-I160 HydrophobicContact CZ-CD1 4.04Å; C42-I160 HydrophobicContact CB-CD1 3.74Å; L61-I160 HydrophobicContact CB-CG2 4.26Å; L61-I160 HydrophobicContact CD2-CG2 4.03Å; V62-I160 CarbonylContact O-C 3.6Å; V62-I160 VanDerWaalsContact O-CA 3.22Å; V62-I160 WeakPolarHBondContact O-CA 3.31Å; Q63-I160 HydrophobicContact CB-CG1 4.2Å; Q63-I160 HydrophobicContact CG-CG1 4Å; Q63-I160 VanDerWaalsContact OE1-CD1 3.27Å; Q63-I160 VanDerWaalsContact OE1-CG1 3.27Å; V129-I160 HydrophobicContact CB-CD1 4.42Å; V129-I160 HydrophobicContact CG1-CD1 4.42Å; V129-I160 HydrophobicContact CG2-CD1 4.49Å; I160-K182 CarbonylContact O-C 3.55Å; I160-K182 WeakPolarHBondContact O-CA 3.3Å; I160-I183 HydrophobicContact CB-CB 4.22Å; I160-I183 PolarHBondContact N-O 3.33Å; I160-I183 PolarHBondContact O-N 3.3Å |
| 161 | W | 95.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.7 | 170.8 | -60.4 | -92 | 0 | 0 | 0 | 110.7 | L61 V62 A64 L94 L159 V163 V179 K181 L225 P226 A229 | L61-W161 WeakPolarHBondContact CA-O 3.22Å; V62-W161 HydrophobicContact CB-CE3 4.37Å; V62-W161 HydrophobicContact CG1-CE3 4.09Å; V62-W161 PolarHBondContact N-O 3.14Å; V62-W161 PolarHBondContact O-N 3.42Å; A64-W161 HydrophobicContact CB-CH2 4Å; A64-W161 HydrophobicContact CB-CZ3 3.64Å; L94-W161 HydrophobicContact CD2-CH2 4.04Å; L159-W161 HydrophobicContact CB-CE3 4.39Å; L159-W161 HydrophobicContact CB-CH2 3.34Å; L159-W161 HydrophobicContact CB-CZ2 3.68Å; L159-W161 HydrophobicContact CB-CZ3 3.73Å; L159-W161 HydrophobicContact CD1-CH2 3.78Å; L159-W161 HydrophobicContact CD1-CZ2 3.69Å; L159-W161 HydrophobicContact CG-CH2 4.22Å; L159-W161 HydrophobicContact CG-CZ2 4.32Å; L159-W161 WeakPolarHBondContact O-CZ3 3.47Å; W161-V163 HydrophobicContact CB-CG1 3.66Å; W161-V179 HydrophobicContact CB-CG1 4.38Å; W161-V179 HydrophobicContact CG-CG1 4.43Å; W161-K181 VanDerWaalsContact CA-O 3.3Å; W161-K181 WeakPolarHBondContact CA-O 3.34Å; W161-L225 HydrophobicContact CB-CD1 4.16Å; W161-L225 HydrophobicContact CD2-CD1 3.7Å; W161-L225 HydrophobicContact CE3-CD1 3.78Å; W161-L225 HydrophobicContact CG-CD1 3.89Å; W161-L225 HydrophobicContact CZ3-CD1 4.42Å; W161-P226 HydrophobicContact CZ2-CG 4.18Å; W161-A229 HydrophobicContact CE3-CB 4.46Å; W161-A229 HydrophobicContact CH2-CB 4.18Å; W161-A229 HydrophobicContact CZ3-CB 3.87Å |
| 162 | L | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.5 | 161 | 176.3 | 62.8 | 0 | 0 | 0 | 108.1 | V11 V44 I46 I59 L61 L127 F180 K181 | V11-L162 HydrophobicContact CG1-CD2 4.28Å; V11-L162 HydrophobicContact CG2-CD2 3.6Å; V44-L162 HydrophobicContact CG1-CD1 4.23Å; V44-L162 HydrophobicContact CG1-CD2 3.73Å; I46-L162 HydrophobicContact CD1-CD1 3.86Å; I46-L162 HydrophobicContact CD1-CD2 4.14Å; I59-L162 HydrophobicContact CD1-CD1 4.44Å; I59-L162 HydrophobicContact CG1-CD1 4.08Å; L61-L162 HydrophobicContact CD2-CB 4.11Å; L61-L162 HydrophobicContact CD2-CD1 4.02Å; L127-L162 HydrophobicContact CD1-CD1 4.21Å; L162-F180 HydrophobicContact CB-CB 4.36Å; L162-F180 HydrophobicContact CD2-CB 3.91Å; L162-F180 HydrophobicContact CD2-CD2 4.46Å; L162-F180 HydrophobicContact CD2-CG 4.43Å; L162-F180 HydrophobicContact CG-CB 4.06Å; L162-F180 HydrophobicContact CG-CD2 4.11Å; L162-F180 HydrophobicContact CG-CG 4.47Å; L162-F180 PolarHBondContact O-N 3.37Å; L162-K181 HydrophobicContact CB-CB 4.18Å; L162-K181 PolarHBondContact N-O 3.41Å |
| 163 | V | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.6 | -175.2 | -52.2 | 0 | 0 | 0 | 0 | 112 | I59 G60 V62 F105 W161 I165 I177 T178 V179 L225 | I59-V163 CarbonylContact C-O 3.5Å; I59-V163 VanDerWaalsContact CA-O 3.31Å; I59-V163 WeakPolarHBondContact CA-O 3.23Å; G60-V163 PolarHBondContact N-O 3.12Å; G60-V163 PolarHBondContact O-N 2.89Å; V62-V163 HydrophobicContact CG2-CG1 4.29Å; V62-V163 HydrophobicContact CG2-CG2 3.68Å; F105-V163 HydrophobicContact CE1-CG2 3.79Å; F105-V163 HydrophobicContact CZ-CG2 4.49Å; W161-V163 HydrophobicContact CB-CG1 3.66Å; V163-I165 HydrophobicContact CG2-CG1 4.34Å; V163-I177 HydrophobicContact CB-CG2 4.3Å; V163-T178 CarbonylContact C-O 3.57Å; V163-T178 WeakPolarHBondContact CA-O 3.49Å; V163-V179 HydrophobicContact CG1-CG2 4.07Å; V163-L225 HydrophobicContact CG1-CD1 4.42Å |
| 164 | A | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I6 F9 W57 T58 T178 F180 | I6-A164 HydrophobicContact CD1-CB 4.1Å; F9-A164 HydrophobicContact CE2-CB 4.29Å; F9-A164 HydrophobicContact CZ-CB 4.33Å; W57-A164 HydrophobicContact CE3-CB 4.09Å; W57-A164 HydrophobicContact CZ3-CB 4.16Å; T58-A164 CarbonylContact O-C 3.55Å; T58-A164 WeakPolarHBondContact O-CA 3.45Å; A164-T178 PolarHBondContact N-O 2.86Å; A164-T178 PolarHBondContact O-N 3.14Å; A164-F180 HydrophobicContact CB-CE2 3.48Å; A164-F180 VanDerWaalsContact CB-CE2 3.48Å; A164-F180 HydrophobicContact CB-CZ 4.02Å |
| 165 | I | 94.5 | Very high | 88.8 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.8 | 172.7 | -52.3 | -176 | 0 | 0 | 0 | 107.1 | W57 T58 P104 F105 V163 Y167 D175 E176 I177 | W57-I165 CarbonylContact C-O 3.59Å; W57-I165 WeakPolarHBondContact CA-O 3.3Å; T58-I165 PolarHBondContact N-O 2.77Å; T58-I165 PolarHBondContact O-N 2.77Å; P104-I165 HydrophobicContact CG-CD1 3.85Å; F105-I165 HydrophobicContact CE1-CD1 4.44Å; F105-I165 HydrophobicContact CE2-CD1 3.99Å; F105-I165 HydrophobicContact CZ-CD1 3.58Å; F105-I165 HydrophobicContact CZ-CG1 4.07Å; V163-I165 HydrophobicContact CG2-CG1 4.34Å; I165-Y167 HydrophobicContact CB-CE1 4.5Å; I165-Y167 HydrophobicContact CG2-CD1 4.03Å; I165-Y167 HydrophobicContact CG2-CE1 3.66Å; I165-D175 HydrophobicContact CG2-CB 3.94Å; I165-E176 WeakPolarHBondContact CA-O 3.16Å; I165-I177 HydrophobicContact CG1-CG1 4.23Å; I165-I177 HydrophobicContact CG1-CG2 4.47Å; I165-I177 HydrophobicContact CG2-CG1 4.4Å |
| 166 | K | 94.5 | Very high | 88.6 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.8 | 168.6 | 178.6 | -170.8 | 171.8 | -156 | 0 | 108.3 | H55 W57 D175 E176 | H55-K166 HydrophobicContact CB-CG 3.85Å; H55-K166 WeakPolarHBondContact CE1-CE 3.34Å; H55-K166 WeakPolarHBondContact ND1-CE 3.3Å; W57-K166 HydrophobicContact CD2-CB 3.75Å; W57-K166 HydrophobicContact CD2-CG 4.04Å; W57-K166 HydrophobicContact CE3-CB 3.63Å; W57-K166 HydrophobicContact CE3-CG 4.38Å; W57-K166 HydrophobicContact CH2-CB 3.71Å; W57-K166 HydrophobicContact CH2-CD 3.76Å; W57-K166 HydrophobicContact CH2-CG 3.98Å; W57-K166 HydrophobicContact CZ2-CB 3.83Å; W57-K166 HydrophobicContact CZ2-CD 3.53Å; W57-K166 HydrophobicContact CZ2-CG 3.62Å; W57-K166 HydrophobicContact CZ3-CB 3.6Å; W57-K166 HydrophobicContact CZ3-CD 4.49Å; W57-K166 HydrophobicContact CZ3-CG 4.34Å; K166-D175 WeakPolarHBondContact O-CA 3.47Å; K166-E176 HydrophobicContact CB-CB 4.22Å; K166-E176 WeakPolarHBondContact CD-OE2 3.29Å; K166-E176 PolarHBondContact N-O 3.39Å; K166-E176 VanDerWaalsContact NZ-CD 3.3Å; K166-E176 IonicContact NZ-OE1 3.02Å; K166-E176 PolarHBondContact NZ-OE1 3.07Å; K166-E176 IonicContact NZ-OE2 2.63Å; K166-E176 PolarHBondContact NZ-OE2 3.3Å; K166-E176 PolarHBondContact O-N 2.84Å |
| 167 | Y | 93.5 | Very high | 88.4 | Confident | 62 Ų | 62 | 63 Ų | 63 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 140.7 | -175.2 | -64.8 | -71.3 | 0 | 0 | 0 | 112.2 | H55 D56 T58 I165 D175 | H55-Y167 PolarHBondContact CD2-O 2.83Å; H55-Y167 VanDerWaalsContact CD2-O 3.26Å; D56-Y167 HydrophobicContact CB-CD2 4Å; D56-Y167 WeakPolarHBondContact O-CD2 3.21Å; D56-Y167 PolarHBondContact O-N 3.19Å; T58-Y167 VanDerWaalsContact OG1-CE2 3.28Å; T58-Y167 WeakPolarHBondContact OG1-CE2 3.47Å; T58-Y167 PolarHBondContact OG1-OH 3.44Å; I165-Y167 HydrophobicContact CB-CE1 4.5Å; I165-Y167 HydrophobicContact CG2-CD1 4.03Å; I165-Y167 HydrophobicContact CG2-CE1 3.66Å; Y167-D175 WeakPolarHBondContact CA-OD1 3.29Å |
| 168 | G | 87.3 | Confident | 88.3 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 143.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K170 D175 | G168-K170 PolarHBondContact O-N 2.66Å; G168-D175 PolarHBondContact N-OD1 2.89Å |
| 169 | K | 80 | Confident | 88.1 | Confident | 122 Ų | 122 | 63 Ų | 63 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -70.3 | -21.1 | 177.3 | -75.1 | 174.1 | 176.6 | 150.9 | 0 | 113.8 | D54 H55 | D54-K169 WeakPolarHBondContact O-CE 3.5Å; D54-K169 IonicContact OD2-NZ 2.88Å; D54-K169 PolarHBondContact OD2-NZ 2.99Å; H55-K169 VanDerWaalsContact CE1-CE 3.5Å; H55-K169 WeakPolarHBondContact CE1-CE 3.08Å; H55-K169 PolarHBondContact CE1-NZ 3.31Å; H55-K169 VanDerWaalsContact CE1-NZ 3.33Å; H55-K169 WeakPolarHBondContact NE2-CE 3.21Å; H55-K169 PolarHBondContact NE2-NZ 3.06Å |
| 170 | K | 76.2 | Confident | 87.9 | Confident | 150 Ų | 150 | 65 Ų | 65 | 65% | 0.652 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -140.8 | 154.9 | -176.7 | -62.8 | -177.1 | 179.7 | -178.2 | 0 | 107.5 | G168 S172 C173 | G168-K170 PolarHBondContact O-N 2.66Å; K170-S172 PolarHBondContact O-N 2.89Å; K170-C173 WeakPolarHBondContact O-CB 3.25Å; K170-C173 PolarHBondContact O-N 2.87Å |
| 171 | F | 64.9 | Low | 87.7 | Confident | 231 Ų | 231 | 66.5 Ų | 66.5 | 100% | 1.013 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -23.7 | 175.6 | -71.6 | -80.5 | 0 | 0 | 0 | 114.4 | ||
| 172 | S | 70.7 | Confident | 87.6 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 73% | 0.734 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -14.6 | 176.3 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | K170 | K170-S172 PolarHBondContact O-N 2.89Š|
| 173 | C | 72.4 | Confident | 87.5 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -86.8 | 125.2 | 175.4 | -66.3 | 0 | 0 | 0 | 0 | 108.9 | K170 | K170-C173 WeakPolarHBondContact O-CB 3.25Å; K170-C173 PolarHBondContact O-N 2.87Å |
| 174 | K | 84.7 | Confident | 87.5 | Confident | 193 Ų | 193 | 71.6 Ų | 71.6 | 84% | 0.839 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -73 | 146.3 | 174.8 | -65.8 | -173.5 | 178 | -175.7 | 0 | 110.6 | ||
| 175 | D | 90.8 | Very high | 87.5 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 137.1 | 171.9 | -60.1 | -24.3 | 0 | 0 | 0 | 110.4 | I165 K166 Y167 G168 | I165-D175 HydrophobicContact CG2-CB 3.94Å; K166-D175 WeakPolarHBondContact O-CA 3.47Å; Y167-D175 WeakPolarHBondContact CA-OD1 3.29Å; G168-D175 PolarHBondContact N-OD1 2.89Å |
| 176 | E | 91.3 | Very high | 87.5 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 112.1 | 175.4 | -62.8 | 166.9 | -147 | 0 | 0 | 108.7 | I165 K166 | I165-E176 WeakPolarHBondContact CA-O 3.16Å; K166-E176 HydrophobicContact CB-CB 4.22Å; K166-E176 WeakPolarHBondContact CD-OE2 3.29Å; K166-E176 PolarHBondContact N-O 3.39Å; K166-E176 VanDerWaalsContact NZ-CD 3.3Å; K166-E176 IonicContact NZ-OE1 3.02Å; K166-E176 PolarHBondContact NZ-OE1 3.07Å; K166-E176 IonicContact NZ-OE2 2.63Å; K166-E176 PolarHBondContact NZ-OE2 3.3Å; K166-E176 PolarHBondContact O-N 2.84Å |
| 177 | I | 92.4 | Very high | 87.6 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 35% | 0.349 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.7 | 177.3 | -53.1 | 179.1 | 0 | 0 | 0 | 109.2 | V163 I165 L225 | V163-I177 HydrophobicContact CB-CG2 4.3Å; I165-I177 HydrophobicContact CG1-CG1 4.23Å; I165-I177 HydrophobicContact CG1-CG2 4.47Å; I165-I177 HydrophobicContact CG2-CG1 4.4Å; I177-L225 HydrophobicContact CD1-CD2 4.41Å; I177-L225 HydrophobicContact CG2-CB 4Å; I177-L225 HydrophobicContact CG2-CD2 4.24Å |
| 178 | T | 92.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 72.9 Ų | 72.9 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.1 | 174.8 | -57 | 0 | 0 | 0 | 0 | 110.2 | I6 V163 A164 | I6-T178 HydrophobicContact CD1-CG2 3.83Å; I6-T178 WeakPolarHBondContact CD1-OG1 3.27Å; I6-T178 HydrophobicContact CG1-CG2 4.06Å; I6-T178 HydrophobicContact CG2-CG2 3.84Å; V163-T178 CarbonylContact C-O 3.57Å; V163-T178 WeakPolarHBondContact CA-O 3.49Å; A164-T178 PolarHBondContact N-O 2.86Å; A164-T178 PolarHBondContact O-N 3.14Å |
| 179 | V | 92.9 | Very high | 88.1 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.8 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | W161 V163 H223 L225 | W161-V179 HydrophobicContact CB-CG1 4.38Å; W161-V179 HydrophobicContact CG-CG1 4.43Å; V163-V179 HydrophobicContact CG1-CG2 4.07Å; V179-H223 WeakPolarHBondContact CB-O 2.96Å; V179-H223 VanDerWaalsContact CG2-O 3.27Å; V179-H223 WeakPolarHBondContact CG2-O 3.33Å; V179-L225 HydrophobicContact CG2-CB 4.27Å |
| 180 | F | 91.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 22% | 0.219 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -38.6 | 175.3 | -66.8 | -83.6 | 0 | 0 | 0 | 112.8 | I6 F9 I59 L162 A164 | I6-F180 HydrophobicContact CD1-CZ 4.14Å; I6-F180 HydrophobicContact CG2-CE1 3.62Å; I6-F180 HydrophobicContact CG2-CZ 3.93Å; F9-F180 HydrophobicContact CB-CE1 3.85Å; F9-F180 HydrophobicContact CB-CE2 4.4Å; F9-F180 HydrophobicContact CB-CZ 3.61Å; F9-F180 AromaticContact CD2-CZ 3.75Å; F9-F180 HydrophobicContact CD2-CZ 3.75Å; F9-F180 HydrophobicContact CG-CE2 4.49Å; F9-F180 AromaticContact CG-CZ 3.82Å; F9-F180 HydrophobicContact CG-CZ 3.82Å; I59-F180 HydrophobicContact CD1-CD2 4.48Å; I59-F180 HydrophobicContact CD1-CE2 3.97Å; L162-F180 HydrophobicContact CB-CB 4.36Å; L162-F180 HydrophobicContact CD2-CB 3.91Å; L162-F180 HydrophobicContact CD2-CD2 4.46Å; L162-F180 HydrophobicContact CD2-CG 4.43Å; L162-F180 HydrophobicContact CG-CB 4.06Å; L162-F180 HydrophobicContact CG-CD2 4.11Å; L162-F180 HydrophobicContact CG-CG 4.47Å; L162-F180 PolarHBondContact O-N 3.37Å; A164-F180 HydrophobicContact CB-CE2 3.48Å; A164-F180 VanDerWaalsContact CB-CE2 3.48Å; A164-F180 HydrophobicContact CB-CZ 4.02Å |
| 181 | K | 92.1 | Very high | 90 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149 | -176.3 | -161.9 | 77 | 177.5 | -161 | 0 | 110.1 | I14 W161 L162 I183 T217 N218 | I14-K181 HydrophobicContact CD1-CB 3.67Å; I14-K181 HydrophobicContact CD1-CD 3.99Å; I14-K181 HydrophobicContact CD1-CG 3.51Å; W161-K181 VanDerWaalsContact CA-O 3.3Å; W161-K181 WeakPolarHBondContact CA-O 3.34Å; L162-K181 HydrophobicContact CB-CB 4.18Å; L162-K181 PolarHBondContact N-O 3.41Å; K181-I183 HydrophobicContact CG-CG1 4.15Å; K181-T217 VanDerWaalsContact CE-O 3.28Å; K181-T217 WeakPolarHBondContact CE-O 3.2Å; K181-N218 PolarHBondContact NZ-OD1 2.85Å |
| 182 | K | 93 | Very high | 91.6 | Very high | 61 Ų | 61 | 53 Ų | 53 | 27% | 0.265 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.8 | 166.5 | 173.7 | -174.6 | -179.4 | -177.9 | 0 | 109.3 | I160 T217 | I160-K182 CarbonylContact O-C 3.55Å; I160-K182 WeakPolarHBondContact O-CA 3.3Å; K182-T217 VanDerWaalsContact CB-OG1 3.25Å; K182-T217 WeakPolarHBondContact CB-OG1 3.42Å; K182-T217 PolarHBondContact O-N 2.95Å; K182-T217 PolarHBondContact O-OG1 2.88Å |
| 183 | I | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.6 | -177.2 | -54.2 | 167.6 | 0 | 0 | 0 | 106.8 | I14 A16 C42 L159 I160 K181 V214 I215 L216 | I14-I183 HydrophobicContact CG2-CD1 3.54Å; I14-I183 HydrophobicContact CG2-CG1 4.39Å; A16-I183 HydrophobicContact CB-CG2 4.03Å; C42-I183 WeakPolarHBondContact SG-CD1 3.34Å; L159-I183 CarbonylContact C-O 3.51Å; L159-I183 WeakPolarHBondContact CA-O 3.43Å; I160-I183 HydrophobicContact CB-CB 4.22Å; I160-I183 PolarHBondContact N-O 3.33Å; I160-I183 PolarHBondContact O-N 3.3Å; K181-I183 HydrophobicContact CG-CG1 4.15Å; I183-V214 HydrophobicContact CG2-CG1 3.3Å; I183-I215 CarbonylContact C-O 3.6Å; I183-I215 WeakPolarHBondContact CA-O 3.38Å; I183-L216 HydrophobicContact CG1-CG 4.38Å |
| 184 | R | 94.2 | Very high | 94 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.9 | 175.9 | 176.7 | 171.3 | -173.8 | 87.5 | -9.7 | 110.3 | D66 F158 L159 E186 V214 I215 | D66-R184 VanDerWaalsContact CG-NH1 3.35Å; D66-R184 IonicContact OD1-CZ 2.86Å; D66-R184 IonicContact OD1-NH1 3.89Å; D66-R184 PolarHBondContact OD1-NH1 3.12Å; D66-R184 VanDerWaalsContact OD1-NH1 3.14Å; D66-R184 IonicContact OD1-NH2 3.24Å; D66-R184 IonicContact OD2-CZ 3.06Å; D66-R184 IonicContact OD2-NH1 3.77Å; D66-R184 PolarHBondContact OD2-NH1 2.69Å; D66-R184 IonicContact OD2-NH2 3.94Å; F158-R184 WeakPolarHBondContact O-CA 3.15Å; L159-R184 HydrophobicContact CD2-CB 3.82Å; L159-R184 HydrophobicContact CD2-CG 4.04Å; R184-E186 IonicContact CZ-OE1 2.83Å; R184-E186 VanDerWaalsContact CZ-OE1 3.24Å; R184-E186 IonicContact NE-OE1 2.89Å; R184-E186 PolarHBondContact NE-OE1 2.92Å; R184-E186 IonicContact NH2-OE1 3.05Å; R184-E186 PolarHBondContact NH2-OE1 2.91Å; R184-V214 CarbonylContact O-C 3.59Å; R184-V214 WeakPolarHBondContact O-CA 3.4Å; R184-V214 WeakPolarHBondContact O-CG1 3.33Å; R184-I215 HydrophobicContact CB-CB 4.31Å; R184-I215 PolarHBondContact N-O 2.99Å; R184-I215 PolarHBondContact O-N 2.68Å |
| 185 | W | 95.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.3 | 172.1 | 71.8 | -81.6 | 0 | 0 | 0 | 110 | Y18 F40 D131 F133 F158 Y187 V214 | Y18-W185 AromaticContact CE1-CE3 3.96Å; Y18-W185 HydrophobicContact CE1-CE3 3.96Å; Y18-W185 HydrophobicContact CE1-CZ3 4.39Å; F40-W185 HydrophobicContact CB-CD2 4.47Å; F40-W185 HydrophobicContact CB-CE3 4Å; F40-W185 HydrophobicContact CB-CH2 4.08Å; F40-W185 HydrophobicContact CB-CZ3 3.78Å; F40-W185 AromaticContact CD1-CD2 3.82Å; F40-W185 HydrophobicContact CD1-CD2 3.82Å; F40-W185 AromaticContact CD1-CE2 3.66Å; F40-W185 HydrophobicContact CD1-CE3 4.21Å; F40-W185 HydrophobicContact CD1-CG 4.22Å; F40-W185 HydrophobicContact CD1-CH2 4.34Å; F40-W185 AromaticContact CD1-CZ2 3.96Å; F40-W185 HydrophobicContact CD1-CZ2 3.96Å; F40-W185 HydrophobicContact CD1-CZ3 4.44Å; F40-W185 AromaticContact CD1-NE1 3.91Å; F40-W185 HydrophobicContact CD2-CB 4.07Å; F40-W185 AromaticContact CD2-CD2 3.78Å; F40-W185 HydrophobicContact CD2-CD2 3.78Å; F40-W185 AromaticContact CD2-CE3 3.75Å; F40-W185 HydrophobicContact CD2-CE3 3.75Å; F40-W185 AromaticContact CD2-CG 3.96Å; F40-W185 HydrophobicContact CD2-CG 3.96Å; F40-W185 HydrophobicContact CD2-CZ3 4.4Å; F40-W185 AromaticContact CE1-CD1 3.64Å; F40-W185 AromaticContact CE1-CD2 3.95Å; F40-W185 HydrophobicContact CE1-CD2 3.95Å; F40-W185 AromaticContact CE1-CE2 3.82Å; F40-W185 AromaticContact CE1-CG 3.86Å; F40-W185 HydrophobicContact CE1-CG 3.86Å; F40-W185 AromaticContact CE1-NE1 3.58Å; F40-W185 HydrophobicContact CE2-CB 3.45Å; F40-W185 VanDerWaalsContact CE2-CB 3.45Å; F40-W185 AromaticContact CE2-CD2 3.87Å; F40-W185 HydrophobicContact CE2-CD2 3.87Å; F40-W185 HydrophobicContact CE2-CE3 4.27Å; F40-W185 AromaticContact CE2-CG 3.53Å; F40-W185 HydrophobicContact CE2-CG 3.53Å; F40-W185 AromaticContact CG-CD2 3.73Å; F40-W185 HydrophobicContact CG-CD2 3.73Å; F40-W185 AromaticContact CG-CE3 3.7Å; F40-W185 HydrophobicContact CG-CE3 3.7Å; F40-W185 HydrophobicContact CG-CG 4.27Å; F40-W185 HydrophobicContact CG-CH2 4.25Å; F40-W185 HydrophobicContact CG-CZ2 4.29Å; F40-W185 AromaticContact CG-CZ3 3.95Å; F40-W185 HydrophobicContact CG-CZ3 3.95Å; F40-W185 HydrophobicContact CZ-CB 3.77Å; F40-W185 AromaticContact CZ-CD1 3.5Å; F40-W185 AromaticContact CZ-CD2 3.96Å; F40-W185 HydrophobicContact CZ-CD2 3.96Å; F40-W185 AromaticContact CZ-CG 3.48Å; F40-W185 HydrophobicContact CZ-CG 3.48Å; F40-W185 VanDerWaalsContact CZ-CG 3.48Å; F40-W185 AromaticContact CZ-NE1 3.95Å; D131-W185 HydrophobicContact CB-CH2 4.2Å; D131-W185 HydrophobicContact CB-CZ2 4.08Å; D131-W185 WeakPolarHBondContact OD2-CZ2 3.49Å; F133-W185 HydrophobicContact CE2-CH2 4.39Å; F133-W185 AromaticContact CZ-CH2 3.93Å; F133-W185 HydrophobicContact CZ-CH2 3.93Å; F158-W185 HydrophobicContact CB-CD2 4.21Å; F158-W185 HydrophobicContact CB-CG 4.23Å; F158-W185 HydrophobicContact CB-CZ2 4.13Å; F158-W185 VanDerWaalsContact CB-NE1 3.26Å; F158-W185 HydrophobicContact CD1-CZ2 4.33Å; F158-W185 HydrophobicContact CD2-CD2 4.01Å; F158-W185 AromaticContact CD2-CE2 3.56Å; F158-W185 HydrophobicContact CD2-CE3 4.27Å; F158-W185 AromaticContact CD2-CH2 3.74Å; F158-W185 HydrophobicContact CD2-CH2 3.74Å; F158-W185 AromaticContact CD2-CZ2 3.41Å; F158-W185 HydrophobicContact CD2-CZ2 3.41Å; F158-W185 VanDerWaalsContact CD2-CZ2 3.41Å; F158-W185 HydrophobicContact CD2-CZ3 4.16Å; F158-W185 AromaticContact CE2-CH2 3.75Å; F158-W185 HydrophobicContact CE2-CH2 3.75Å; F158-W185 AromaticContact CE2-CZ2 3.79Å; F158-W185 HydrophobicContact CE2-CZ2 3.79Å; F158-W185 HydrophobicContact CE2-CZ3 4.3Å; F158-W185 HydrophobicContact CG-CD2 4.45Å; F158-W185 AromaticContact CG-CE2 3.71Å; F158-W185 HydrophobicContact CG-CH2 4.47Å; F158-W185 AromaticContact CG-CZ2 3.71Å; F158-W185 HydrophobicContact CG-CZ2 3.71Å; F158-W185 AromaticContact CG-NE1 3.84Å; F158-W185 HydrophobicContact CZ-CH2 4.48Å; F158-W185 HydrophobicContact CZ-CZ2 4.39Å; F158-W185 PolarHBondContact N-O 3.26Å; F158-W185 PolarHBondContact O-N 2.95Å; W185-Y187 HydrophobicContact CZ3-CD2 4Å; W185-Y187 HydrophobicContact CZ3-CG 4.4Å; W185-V214 HydrophobicContact CB-CG1 4.33Å; W185-V214 HydrophobicContact CB-CG2 4.3Å |
| 186 | E | 95 | Very high | 94.4 | Very high | 51 Ų | 51 | 41.9 Ų | 41.9 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.8 | -175.1 | -52.8 | -167.6 | 170.7 | 0 | 0 | 108.7 | Y18 Q156 K157 R184 | Y18-E186 PolarHBondContact OH-N 2.97Å; Y18-E186 PolarHBondContact OH-O 3.24Å; Q156-E186 CarbonylContact O-C 3.57Å; Q156-E186 WeakPolarHBondContact O-CA 3.29Å; K157-E186 HydrophobicContact CB-CG 4.06Å; K157-E186 HydrophobicContact CD-CG 4.24Å; K157-E186 HydrophobicContact CG-CB 4.17Å; K157-E186 HydrophobicContact CG-CG 3.86Å; K157-E186 IonicContact NZ-OE1 3.75Å; K157-E186 PolarHBondContact NZ-OE1 3.11Å; K157-E186 IonicContact NZ-OE2 2.66Å; K157-E186 PolarHBondContact NZ-OE2 3.01Å; R184-E186 IonicContact CZ-OE1 2.83Å; R184-E186 VanDerWaalsContact CZ-OE1 3.24Å; R184-E186 IonicContact NE-OE1 2.89Å; R184-E186 PolarHBondContact NE-OE1 2.92Å; R184-E186 IonicContact NH2-OE1 3.05Å; R184-E186 PolarHBondContact NH2-OE1 2.91Å |
| 187 | Y | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 125.4 | -179.2 | -159.4 | -87.3 | 0 | 0 | 0 | 109.5 | Y18 T37 Q38 F133 R155 Q156 W185 L189 D208 Q210 | Y18-Y187 HydrophobicContact CD1-CD2 4.35Å; Y18-Y187 HydrophobicContact CD1-CE2 4.39Å; Y18-Y187 AromaticContact CE1-CD2 3.96Å; Y18-Y187 HydrophobicContact CE1-CD2 3.96Å; Y18-Y187 HydrophobicContact CE1-CE2 4.44Å; T37-Y187 VanDerWaalsContact CB-OH 3.31Å; T37-Y187 WeakPolarHBondContact CB-OH 3.42Å; T37-Y187 HydrophobicContact CG2-CE1 4.07Å; Q38-Y187 HydrophobicContact CB-CE2 4.25Å; Q38-Y187 VanDerWaalsContact CB-OH 3.3Å; Q38-Y187 WeakPolarHBondContact CB-OH 3.28Å; Q38-Y187 PolarHBondContact N-OH 3.03Å; F133-Y187 HydrophobicContact CD2-CD1 4.1Å; F133-Y187 HydrophobicContact CD2-CE1 4.36Å; F133-Y187 HydrophobicContact CD2-CG 4.41Å; F133-Y187 AromaticContact CE2-CD1 3.81Å; F133-Y187 HydrophobicContact CE2-CD1 3.81Å; F133-Y187 HydrophobicContact CE2-CD2 4.27Å; F133-Y187 HydrophobicContact CE2-CE1 4.45Å; F133-Y187 AromaticContact CE2-CG 3.73Å; F133-Y187 HydrophobicContact CE2-CG 3.73Å; R155-Y187 CarbonylContact C-O 3.53Å; R155-Y187 VanDerWaalsContact CA-O 3.28Å; R155-Y187 WeakPolarHBondContact CA-O 3.39Å; Q156-Y187 PolarHBondContact N-O 3.03Å; Q156-Y187 PolarHBondContact O-N 3.02Å; W185-Y187 HydrophobicContact CZ3-CD2 4Å; W185-Y187 HydrophobicContact CZ3-CG 4.4Å; Y187-L189 HydrophobicContact CD1-CB 4.42Å; Y187-L189 HydrophobicContact CE1-CB 4.05Å; Y187-D208 PolarHBondContact OH-OD1 3.43Å; Y187-D208 PolarHBondContact OH-OD2 3.42Å; Y187-Q210 HydrophobicContact CD2-CG 4.43Å; Y187-Q210 HydrophobicContact CE2-CG 4.26Å |
| 188 | D | 95.1 | Very high | 94.7 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.9 | 178.2 | -72.3 | -65.8 | 0 | 0 | 0 | 110.5 | G154 R155 Q210 | G154-D188 CarbonylContact O-C 3.47Å; G154-D188 WeakPolarHBondContact O-CA 3.2Å; R155-D188 WeakPolarHBondContact CD-OD1 3.34Å; R155-D188 WeakPolarHBondContact CG-OD1 3.15Å; R155-D188 IonicContact NE-OD1 3.71Å; D188-Q210 VanDerWaalsContact N-OE1 3.09Å; D188-Q210 PolarHBondContact O-NE2 2.74Å |
| 189 | L | 96.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.5 | -179.5 | 178.1 | 66.4 | 0 | 0 | 0 | 110.2 | Y35 T37 I153 G154 Y187 I191 I206 Y207 D208 | Y35-L189 HydrophobicContact CD2-CD2 3.98Å; Y35-L189 HydrophobicContact CE2-CD2 3.38Å; T37-L189 HydrophobicContact CG2-CD2 3.95Å; I153-L189 WeakPolarHBondContact CA-O 3.35Å; G154-L189 PolarHBondContact N-O 3.26Å; G154-L189 PolarHBondContact O-N 3.04Å; Y187-L189 HydrophobicContact CD1-CB 4.42Å; Y187-L189 HydrophobicContact CE1-CB 4.05Å; L189-I191 HydrophobicContact CD1-CD1 4.45Å; L189-I191 HydrophobicContact CD1-CG1 4.01Å; L189-I191 HydrophobicContact CD2-CD1 4.14Å; L189-I191 HydrophobicContact CD2-CG1 4.32Å; L189-I191 HydrophobicContact CG-CD1 4.48Å; L189-I191 HydrophobicContact CG-CG1 4.12Å; L189-I206 HydrophobicContact CD1-CG2 3.93Å; L189-Y207 WeakPolarHBondContact CA-O 3.48Å; L189-D208 HydrophobicContact CD1-CB 3.79Å |
| 190 | C | 97.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125.6 | 165 | 165.3 | 0 | 0 | 0 | 0 | 109.7 | E151 I152 Y207 | E151-C190 PolarHBondContact OE1-SG 2.86Å; I152-C190 CarbonylContact O-C 3.58Å; I152-C190 VanDerWaalsContact O-CA 3.29Å; I152-C190 WeakPolarHBondContact O-CA 3.38Å; C190-Y207 HydrophobicContact CB-CD2 4.08Å; C190-Y207 PolarHBondContact N-O 2.85Å; C190-Y207 PolarHBondContact O-N 3.22Å |
| 191 | I | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.6 | 174.7 | -55.4 | 178 | 0 | 0 | 0 | 107.9 | Y35 E151 I152 L189 V193 I203 I206 | Y35-I191 HydrophobicContact CD1-CD1 4.02Å; Y35-I191 HydrophobicContact CD2-CD1 4.24Å; Y35-I191 HydrophobicContact CE1-CD1 4.33Å; Y35-I191 HydrophobicContact CG-CD1 3.95Å; E151-I191 CarbonylContact C-O 3.54Å; E151-I191 VanDerWaalsContact CA-O 3.31Å; E151-I191 WeakPolarHBondContact CA-O 3.34Å; I152-I191 HydrophobicContact CB-CB 4.17Å; I152-I191 HydrophobicContact CD1-CD1 4.33Å; I152-I191 PolarHBondContact N-O 2.57Å; I152-I191 PolarHBondContact O-N 3Å; L189-I191 HydrophobicContact CD1-CD1 4.45Å; L189-I191 HydrophobicContact CD1-CG1 4.01Å; L189-I191 HydrophobicContact CD2-CD1 4.14Å; L189-I191 HydrophobicContact CD2-CG1 4.32Å; L189-I191 HydrophobicContact CG-CD1 4.48Å; L189-I191 HydrophobicContact CG-CG1 4.12Å; I191-V193 HydrophobicContact CG2-CG2 4.22Å; I191-I203 HydrophobicContact CG2-CD1 3.86Å; I191-I203 HydrophobicContact CG2-CG2 3.83Å; I191-I206 HydrophobicContact CG1-CG1 4.39Å; I191-I206 HydrophobicContact CG1-CG2 4.36Å; I191-I206 HydrophobicContact CG2-CG1 4.34Å |
| 192 | K | 97.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.6 | 174.3 | -65.1 | -61.1 | -166.6 | 176.6 | 0 | 109.7 | E151 R204 K205 Y207 | E151-K192 HydrophobicContact CG-CD 4.22Å; E151-K192 WeakPolarHBondContact OE1-CE 3.32Å; E151-K192 IonicContact OE1-NZ 2.68Å; E151-K192 PolarHBondContact OE1-NZ 2.53Å; E151-K192 IonicContact OE2-NZ 3.95Å; E151-K192 PolarHBondContact OE2-NZ 3.04Å; K192-R204 HydrophobicContact CB-CB 4.46Å; K192-R204 PolarHBondContact O-N 2.94Å; K192-K205 HydrophobicContact CB-CB 4.34Å; K192-K205 PolarHBondContact N-O 2.81Å; K192-K205 PolarHBondContact O-N 3.12Å; K192-Y207 HydrophobicContact CG-CE2 3.93Å |
| 193 | V | 97.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.7 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | W139 L149 T150 I191 R202 I203 | W139-V193 HydrophobicContact CE3-CG1 4.37Å; W139-V193 HydrophobicContact CZ3-CG1 3.74Å; L149-V193 HydrophobicContact CD2-CG2 4.13Å; L149-V193 HydrophobicContact CG-CG2 4.22Å; L149-V193 WeakPolarHBondContact O-CG1 3.1Å; T150-V193 PolarHBondContact O-N 3.03Å; T150-V193 VanDerWaalsContact O-O 3.1Å; I191-V193 HydrophobicContact CG2-CG2 4.22Å; V193-R202 CarbonylContact C-O 3.53Å; V193-R202 WeakPolarHBondContact CA-O 3.41Å; V193-R202 HydrophobicContact CG1-CB 4.07Å; V193-I203 HydrophobicContact CG2-CD1 3.82Å |
| 194 | D | 95.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | trans | -107.2 | 103.6 | 166.3 | -175.8 | -16.9 | 0 | 0 | 0 | 108.4 | F196 M197 R202 R204 | D194-F196 PolarHBondContact O-N 3.43Å; D194-F196 WeakPolarHBondContact OD1-CB 3.31Å; D194-F196 WeakPolarHBondContact OD1-CD2 3.45Å; D194-F196 PolarHBondContact OD1-N 2.84Å; D194-M197 HydrophobicContact CB-CB 4.44Å; D194-M197 HydrophobicContact CB-CG 3.8Å; D194-M197 PolarHBondContact O-N 2.93Å; D194-R202 PolarHBondContact N-O 2.89Å; D194-R204 HydrophobicContact CB-CG 3.49Å; D194-R204 VanDerWaalsContact CB-CG 3.49Å | ||
| 195 | P | 92.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.7 | -175.1 | 32.7 | -37.5 | 0 | 0 | 0 | 114 | R148 T150 | R148-P195 HydrophobicContact CB-CB 3.27Å; R148-P195 HydrophobicContact CB-CG 3.77Å; R148-P195 HydrophobicContact CG-CB 4.07Å; R148-P195 PolarHBondContact NH1-O 2.82Å; T150-P195 HydrophobicContact CG2-CG 4.11Å |
| 196 | F | 92 | Very high | 95.9 | Very high | 143 Ų | 143 | 55.2 Ų | 55.2 | 63% | 0.627 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -11.3 | 174.2 | -55.8 | -72.8 | 0 | 0 | 0 | 112.6 | D194 | D194-F196 PolarHBondContact O-N 3.43Å; D194-F196 WeakPolarHBondContact OD1-CB 3.31Å; D194-F196 WeakPolarHBondContact OD1-CD2 3.45Å; D194-F196 PolarHBondContact OD1-N 2.84Å |
| 197 | M | 95.3 | Very high | 95.9 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -75.7 | 150.9 | 172.4 | -68.9 | -66.8 | -66.6 | 0 | 0 | 111.4 | D194 S201 R202 | D194-M197 HydrophobicContact CB-CB 4.44Å; D194-M197 HydrophobicContact CB-CG 3.8Å; D194-M197 PolarHBondContact O-N 2.93Å; M197-S201 VanDerWaalsContact CB-O 3.25Å; M197-S201 WeakPolarHBondContact CB-O 3.5Å; M197-R202 HydrophobicContact CB-CG 4.46Å; M197-R202 WeakPolarHBondContact O-CG 3.5Å |
| 198 | P | 95 | Very high | 95.8 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 157.5 | 173.7 | 27.2 | -35.2 | 0 | 0 | 0 | 111.7 | S201 R202 | P198-S201 CarbonylContact O-C 3.48Å; P198-S201 WeakPolarHBondContact O-CA 3.42Å; P198-S201 PolarHBondContact O-N 2.84Å; P198-R202 PolarHBondContact O-N 3.21Å |
| 199 | L | 94.2 | Very high | 95.4 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 137.9 | 173.2 | -169.3 | 74.5 | 0 | 0 | 0 | 110.8 | E28 T29 S201 | E28-L199 HydrophobicContact CB-CD1 3.59Å; E28-L199 HydrophobicContact CB-CG 4.15Å; T29-L199 WeakPolarHBondContact O-CD1 3.48Å; L199-S201 VanDerWaalsContact C-N 3.28Å |
| 200 | G | 94.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 3.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E28 | E28-G200 VanDerWaalsContact CD-N 3.3Å; E28-G200 PolarHBondContact OE2-N 2.87Å |
| 201 | S | 96.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 70 Ų | 70 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -142.1 | 11.8 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | E28 M197 P198 L199 | E28-S201 PolarHBondContact OE1-N 3.46Å; M197-S201 VanDerWaalsContact CB-O 3.25Å; M197-S201 WeakPolarHBondContact CB-O 3.5Å; P198-S201 CarbonylContact O-C 3.48Å; P198-S201 WeakPolarHBondContact O-CA 3.42Å; P198-S201 PolarHBondContact O-N 2.84Å; L199-S201 VanDerWaalsContact C-N 3.28Å |
| 202 | R | 96.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 76.5 Ų | 76.5 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -72 | -36.3 | 177.7 | -67.4 | 179.4 | 172.6 | 168.5 | 1.9 | 111.1 | E28 W139 V193 D194 M197 P198 R204 | E28-R202 PolarHBondContact OE1-N 2.82Å; E28-R202 WeakPolarHBondContact OE2-CB 3.25Å; E28-R202 WeakPolarHBondContact OE2-CG 3.35Å; W139-R202 VanDerWaalsContact CD2-NH1 3.27Å; W139-R202 HydrophobicContact CH2-CB 4.23Å; W139-R202 HydrophobicContact CZ3-CB 4.44Å; V193-R202 CarbonylContact C-O 3.53Å; V193-R202 WeakPolarHBondContact CA-O 3.41Å; V193-R202 HydrophobicContact CG1-CB 4.07Å; D194-R202 PolarHBondContact N-O 2.89Å; M197-R202 HydrophobicContact CB-CG 4.46Å; M197-R202 WeakPolarHBondContact O-CG 3.5Å; P198-R202 PolarHBondContact O-N 3.21Å; R202-R204 PolarHBondContact O-N 3.36Å; R202-R204 VanDerWaalsContact O-N 3.14Å | ||
| 203 | I | 97 | Very high | 90.5 | Very high | 30 Ų | 30 | 75.8 Ų | 75.8 | 15% | 0.154 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 112.2 | 176.9 | -52.6 | -47.6 | 0 | 0 | 0 | 110 | I26 E28 L33 W139 I191 V193 I206 | I26-I203 HydrophobicContact CD1-CG1 3.98Å; I26-I203 HydrophobicContact CG1-CG1 4.38Å; E28-I203 PolarHBondContact OE1-N 2.85Å; L33-I203 HydrophobicContact CD1-CD1 3.86Å; L33-I203 HydrophobicContact CD1-CG1 4.1Å; L33-I203 HydrophobicContact CD2-CD1 3.69Å; L33-I203 HydrophobicContact CG-CD1 4.41Å; W139-I203 HydrophobicContact CH2-CD1 4.29Å; I191-I203 HydrophobicContact CG2-CD1 3.86Å; I191-I203 HydrophobicContact CG2-CG2 3.83Å; V193-I203 HydrophobicContact CG2-CD1 3.82Å; I203-I206 HydrophobicContact CG2-CD1 4.13Å; I203-I206 HydrophobicContact CG2-CG1 3.76Å |
| 204 | R | 97 | Very high | 89.6 | Confident | 148 Ų | 148 | 76.2 Ų | 76.2 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -37.8 | -179.8 | -60.7 | -55 | -61.6 | 172.5 | -4.2 | 112.2 | K192 D194 R202 | K192-R204 HydrophobicContact CB-CB 4.46Å; K192-R204 PolarHBondContact O-N 2.94Å; D194-R204 HydrophobicContact CB-CG 3.49Å; D194-R204 VanDerWaalsContact CB-CG 3.49Å; R202-R204 PolarHBondContact O-N 3.36Å; R202-R204 VanDerWaalsContact O-N 3.14Å |
| 205 | K | 97.1 | Very high | 88.9 | Confident | 111 Ų | 111 | 78.5 Ų | 78.5 | 48% | 0.483 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 143.1 | -176.3 | -157.2 | 156.8 | 170.5 | -162.9 | 0 | 111.5 | K192 Y207 | K192-K205 HydrophobicContact CB-CB 4.34Å; K192-K205 PolarHBondContact N-O 2.81Å; K192-K205 PolarHBondContact O-N 3.12Å; K205-Y207 HydrophobicContact CB-CE2 4.13Å; K205-Y207 HydrophobicContact CD-CE1 3.98Å; K205-Y207 HydrophobicContact CD-CE2 4.02Å; K205-Y207 VanDerWaalsContact CD-CZ 3.5Å; K205-Y207 VanDerWaalsContact CD-OH 3.27Å; K205-Y207 WeakPolarHBondContact CD-OH 3.41Å; K205-Y207 VanDerWaalsContact CE-CZ 3.44Å; K205-Y207 WeakPolarHBondContact CE-OH 3.44Å; K205-Y207 HydrophobicContact CG-CD2 4.42Å; K205-Y207 HydrophobicContact CG-CE1 4.3Å; K205-Y207 HydrophobicContact CG-CE2 3.91Å; K205-Y207 PolarHBondContact NZ-OH 2.86Å |
| 206 | I | 97.6 | Very high | 88.3 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.3 | 172.3 | -57.1 | 174.9 | 0 | 0 | 0 | 107.4 | T24 I26 L189 I191 I203 D208 | T24-I206 HydrophobicContact CG2-CD1 4.11Å; T24-I206 HydrophobicContact CG2-CG2 4.19Å; I26-I206 HydrophobicContact CG2-CD1 3.73Å; L189-I206 HydrophobicContact CD1-CG2 3.93Å; I191-I206 HydrophobicContact CG1-CG1 4.39Å; I191-I206 HydrophobicContact CG1-CG2 4.36Å; I191-I206 HydrophobicContact CG2-CG1 4.34Å; I203-I206 HydrophobicContact CG2-CD1 4.13Å; I203-I206 HydrophobicContact CG2-CG1 3.76Å; I206-D208 HydrophobicContact CG2-CB 3.92Å |
| 207 | Y | 96.4 | Very high | 87.5 | Confident | 96 Ų | 96 | 76.7 Ų | 76.7 | 38% | 0.376 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 99.1 | 172.7 | -58.3 | -88 | 0 | 0 | 0 | 107.5 | L189 C190 K192 K205 | L189-Y207 WeakPolarHBondContact CA-O 3.48Å; C190-Y207 HydrophobicContact CB-CD2 4.08Å; C190-Y207 PolarHBondContact N-O 2.85Å; C190-Y207 PolarHBondContact O-N 3.22Å; K192-Y207 HydrophobicContact CG-CE2 3.93Å; K205-Y207 HydrophobicContact CB-CE2 4.13Å; K205-Y207 HydrophobicContact CD-CE1 3.98Å; K205-Y207 HydrophobicContact CD-CE2 4.02Å; K205-Y207 VanDerWaalsContact CD-CZ 3.5Å; K205-Y207 VanDerWaalsContact CD-OH 3.27Å; K205-Y207 WeakPolarHBondContact CD-OH 3.41Å; K205-Y207 VanDerWaalsContact CE-CZ 3.44Å; K205-Y207 WeakPolarHBondContact CE-OH 3.44Å; K205-Y207 HydrophobicContact CG-CD2 4.42Å; K205-Y207 HydrophobicContact CG-CE1 4.3Å; K205-Y207 HydrophobicContact CG-CE2 3.91Å; K205-Y207 PolarHBondContact NZ-OH 2.86Å |
| 208 | D | 92.4 | Very high | 86 | Confident | 21 Ų | 21 | 80.4 Ų | 80.4 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | trans | -139.4 | 56.5 | -174.1 | -175.3 | 22.6 | 0 | 0 | 0 | 109.6 | T24 Y187 L189 I206 Q210 | T24-D208 WeakPolarHBondContact CB-OD2 3.35Å; T24-D208 PolarHBondContact N-OD2 3.04Å; T24-D208 PolarHBondContact OG1-OD2 3Å; Y187-D208 PolarHBondContact OH-OD1 3.43Å; Y187-D208 PolarHBondContact OH-OD2 3.42Å; L189-D208 HydrophobicContact CD1-CB 3.79Å; I206-D208 HydrophobicContact CG2-CB 3.92Å; D208-Q210 PolarHBondContact OD1-NE2 2.78Å | ||
| 209 | F | 85.6 | Confident | 84 | Confident | 150 Ų | 150 | 78.1 Ų | 78.1 | 66% | 0.658 | 41% | 0.413 | S | S | * | . | trans | -112.9 | 109.7 | -178.7 | -66.2 | -78.4 | 0 | 0 | 0 | 109.4 | H211 | F209-H211 PolarHBondContact O-N 2.72Š| ||
| 210 | Q | 90.4 | Very high | 82 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | trans | -89.3 | 96.9 | -177.2 | -49.5 | -51.4 | -41.1 | 0 | 0 | 110.4 | Y18 Y187 D188 D208 | Y18-Q210 HydrophobicContact CD1-CB 4.13Å; Y18-Q210 HydrophobicContact CD1-CG 3.78Å; Y18-Q210 HydrophobicContact CD2-CB 3.67Å; Y18-Q210 HydrophobicContact CD2-CG 4.26Å; Y18-Q210 HydrophobicContact CE1-CB 4.14Å; Y18-Q210 HydrophobicContact CE1-CG 3.87Å; Y18-Q210 HydrophobicContact CE2-CB 3.71Å; Y18-Q210 HydrophobicContact CE2-CG 4.37Å; Y18-Q210 HydrophobicContact CG-CB 3.91Å; Y18-Q210 HydrophobicContact CG-CG 4Å; Y187-Q210 HydrophobicContact CD2-CG 4.43Å; Y187-Q210 HydrophobicContact CE2-CG 4.26Å; D188-Q210 VanDerWaalsContact N-OE1 3.09Å; D188-Q210 PolarHBondContact O-NE2 2.74Å; D208-Q210 PolarHBondContact OD1-NE2 2.78Å | ||
| 211 | H | 67.5 | Low | 80.1 | Confident | 166 Ų | 166 | 87.9 Ų | 87.9 | 77% | 0.769 | 44% | 0.444 | S | S | * | . | trans | -82 | -24.9 | -172.6 | -71 | -61.6 | 0 | 0 | 0 | 115.2 | F209 | F209-H211 PolarHBondContact O-N 2.72Š| ||
| 212 | N | 65.6 | Low | 78.1 | Confident | 138 Ų | 138 | 91.5 Ų | 91.5 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -109 | 109.4 | -167.1 | -70.8 | -33.1 | 0 | 0 | 0 | 111.5 | ||
| 213 | G | 64.2 | Low | 76.8 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | trans | -53.7 | 135.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I215 | G213-I215 WeakPolarHBondContact O-CG1 3.49Å; G213-I215 PolarHBondContact O-N 2.74Å | ||
| 214 | V | 79 | Confident | 76.2 | Confident | 20 Ų | 20 | 103.1 Ų | 103.1 | 12% | 0.121 | 51% | 0.512 | C | S | . | . | trans | -42.2 | 120.9 | 172 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | A16 Y18 F40 I183 R184 W185 L216 | A16-V214 HydrophobicContact CB-CB 4.03Å; A16-V214 HydrophobicContact CB-CG1 3.35Å; A16-V214 HydrophobicContact CB-CG2 4.17Å; A16-V214 WeakPolarHBondContact O-CG2 3.31Å; Y18-V214 HydrophobicContact CE2-CG2 4.22Å; F40-V214 HydrophobicContact CD2-CG2 4.47Å; F40-V214 HydrophobicContact CE2-CG1 4.4Å; F40-V214 HydrophobicContact CE2-CG2 3.66Å; I183-V214 HydrophobicContact CG2-CG1 3.3Å; R184-V214 CarbonylContact O-C 3.59Å; R184-V214 WeakPolarHBondContact O-CA 3.4Å; R184-V214 WeakPolarHBondContact O-CG1 3.33Å; W185-V214 HydrophobicContact CB-CG1 4.33Å; W185-V214 HydrophobicContact CB-CG2 4.3Å; V214-L216 HydrophobicContact CG1-CD1 4.31Å; V214-L216 PolarHBondContact O-N 3.36Å | ||
| 215 | I | 82 | Confident | 76 | Confident | 97 Ų | 97 | 96.8 Ų | 96.8 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.5 | -174.2 | -52.9 | 177.8 | 0 | 0 | 0 | 108.5 | I183 R184 G213 T217 | I183-I215 CarbonylContact C-O 3.6Å; I183-I215 WeakPolarHBondContact CA-O 3.38Å; R184-I215 HydrophobicContact CB-CB 4.31Å; R184-I215 PolarHBondContact N-O 2.99Å; R184-I215 PolarHBondContact O-N 2.68Å; G213-I215 WeakPolarHBondContact O-CG1 3.49Å; G213-I215 PolarHBondContact O-N 2.74Å; I215-T217 HydrophobicContact CG2-CG2 4.18Å; I215-T217 PolarHBondContact O-N 2.87Å |
| 216 | L | 79.5 | Confident | 75.8 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 35% | 0.351 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 106.9 | 168.2 | -79 | 78.6 | 0 | 0 | 0 | 108.8 | I14 I183 V214 N218 | I14-L216 HydrophobicContact CB-CD2 4.08Å; I14-L216 HydrophobicContact CG2-CD2 3.77Å; I183-L216 HydrophobicContact CG1-CG 4.38Å; V214-L216 HydrophobicContact CG1-CD1 4.31Å; V214-L216 PolarHBondContact O-N 3.36Å; L216-N218 PolarHBondContact O-N 2.95Å |
| 217 | T | 75.1 | Confident | 75.5 | Confident | 47 Ų | 47 | 97.6 Ų | 97.6 | 29% | 0.288 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.1 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | K181 K182 I215 | K181-T217 VanDerWaalsContact CE-O 3.28Å; K181-T217 WeakPolarHBondContact CE-O 3.2Å; K182-T217 VanDerWaalsContact CB-OG1 3.25Å; K182-T217 WeakPolarHBondContact CB-OG1 3.42Å; K182-T217 PolarHBondContact O-N 2.95Å; K182-T217 PolarHBondContact O-OG1 2.88Å; I215-T217 HydrophobicContact CG2-CG2 4.18Å; I215-T217 PolarHBondContact O-N 2.87Å |
| 218 | N | 62.9 | Low | 75.4 | Confident | 135 Ų | 135 | 94 Ų | 94 | 72% | 0.722 | 49% | 0.489 | S | S | * | . | trans | -82 | 121.2 | 161.4 | -73.4 | -22.3 | 0 | 0 | 0 | 106.8 | K181 L216 | K181-N218 PolarHBondContact NZ-OD1 2.85Å; L216-N218 PolarHBondContact O-N 2.95Å | ||
| 219 | S | 54.6 | Low | 75.5 | Confident | 39 Ų | 39 | 93 Ų | 93 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | trans | -117.6 | 109 | 170.4 | 65.2 | 0 | 0 | 0 | 0 | 109.4 | K221 H223 | S219-K221 WeakPolarHBondContact CB-O 3.29Å; S219-K221 PolarHBondContact O-N 2.82Å; S219-K221 PolarHBondContact OG-O 3.09Å; S219-H223 WeakPolarHBondContact CB-CD2 3.5Å; S219-H223 WeakPolarHBondContact CB-NE2 3.3Å; S219-H223 PolarHBondContact OG-CD2 2.94Å; S219-H223 PolarHBondContact OG-NE2 2.89Å | ||
| 220 | D | 51.8 | Low | 75.9 | Confident | 171 Ų | 171 | 86.2 Ų | 86.2 | 91% | 0.914 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -67.1 | -10.8 | 167.4 | -61.5 | -39.5 | 0 | 0 | 0 | 111.8 | ||
| 221 | K | 53.6 | Low | 76.1 | Confident | 165 Ų | 165 | 90.1 Ų | 90.1 | 72% | 0.717 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -101.5 | 136.5 | 176.7 | -65 | -175.1 | -179 | 178.9 | 0 | 110.9 | S219 H223 | S219-K221 WeakPolarHBondContact CB-O 3.29Å; S219-K221 PolarHBondContact O-N 2.82Å; S219-K221 PolarHBondContact OG-O 3.09Å; K221-H223 PolarHBondContact O-N 3.21Å; K221-H223 VanDerWaalsContact O-N 3.12Å |
| 222 | P | 55.1 | Low | 77.4 | Confident | 128 Ų | 128 | 84.9 Ų | 84.9 | 83% | 0.831 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 117.3 | 174.6 | 22.4 | -29.9 | 0 | 0 | 0 | 110.3 | ||
| 223 | H | 69.5 | Low | 78.9 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 39% | 0.389 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 135.5 | 168.9 | -69.1 | -53.1 | 0 | 0 | 0 | 109.8 | V179 S219 K221 | V179-H223 WeakPolarHBondContact CB-O 2.96Å; V179-H223 VanDerWaalsContact CG2-O 3.27Å; V179-H223 WeakPolarHBondContact CG2-O 3.33Å; S219-H223 WeakPolarHBondContact CB-CD2 3.5Å; S219-H223 WeakPolarHBondContact CB-NE2 3.3Å; S219-H223 PolarHBondContact OG-CD2 2.94Å; S219-H223 PolarHBondContact OG-NE2 2.89Å; K221-H223 PolarHBondContact O-N 3.21Å; K221-H223 VanDerWaalsContact O-N 3.12Å |
| 224 | R | 84.4 | Confident | 80.4 | Confident | 233 Ų | 233 | 76.7 Ų | 76.7 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 138.8 | 166.1 | -66.7 | -174.5 | 179.2 | -178 | 0.5 | 108.5 | P226 | R224-P226 WeakPolarHBondContact O-CD 3.16Š|
| 225 | L | 91.5 | Very high | 81.3 | Confident | 16 Ų | 16 | 76 Ų | 76 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 124.2 | 167.7 | -175.4 | 67.2 | 0 | 0 | 0 | 108.1 | V62 P104 W161 V163 I177 V179 I227 A229 A230 | V62-L225 HydrophobicContact CB-CD1 4.39Å; V62-L225 HydrophobicContact CG1-CD1 4Å; V62-L225 HydrophobicContact CG1-CD2 4.39Å; V62-L225 HydrophobicContact CG2-CD2 4.34Å; P104-L225 HydrophobicContact CB-CD2 4.23Å; P104-L225 HydrophobicContact CG-CD2 4.27Å; W161-L225 HydrophobicContact CB-CD1 4.16Å; W161-L225 HydrophobicContact CD2-CD1 3.7Å; W161-L225 HydrophobicContact CE3-CD1 3.78Å; W161-L225 HydrophobicContact CG-CD1 3.89Å; W161-L225 HydrophobicContact CZ3-CD1 4.42Å; V163-L225 HydrophobicContact CG1-CD1 4.42Å; I177-L225 HydrophobicContact CD1-CD2 4.41Å; I177-L225 HydrophobicContact CG2-CB 4Å; I177-L225 HydrophobicContact CG2-CD2 4.24Å; V179-L225 HydrophobicContact CG2-CB 4.27Å; L225-I227 PolarHBondContact O-N 3.09Å; L225-A229 HydrophobicContact CD1-CB 3.86Å; L225-A229 HydrophobicContact CG-CB 4.19Å; L225-A230 HydrophobicContact CD2-CB 3.93Å |
| 226 | P | 92.8 | Very high | 81.9 | Confident | 45 Ų | 45 | 75 Ų | 75 | 29% | 0.292 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 139.3 | 176.3 | -27.6 | 38.7 | 0 | 0 | 0 | 110.9 | L94 W161 R224 S228 A229 A230 | L94-P226 HydrophobicContact CD1-CB 4.3Å; L94-P226 HydrophobicContact CD2-CB 3.92Å; L94-P226 HydrophobicContact CD2-CG 3.89Å; W161-P226 HydrophobicContact CZ2-CG 4.18Å; R224-P226 WeakPolarHBondContact O-CD 3.16Å; P226-S228 PolarHBondContact O-N 3.4Å; P226-A229 HydrophobicContact CB-CB 4.42Å; P226-A229 WeakPolarHBondContact O-CB 3.46Å; P226-A229 PolarHBondContact O-N 3.35Å; P226-A230 PolarHBondContact O-N 3.13Å |
| 227 | I | 92.2 | Very high | 82.7 | Confident | 133 Ų | 133 | 72 Ų | 72 | 68% | 0.682 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.7 | -39.6 | -178.1 | -65.1 | 174.8 | 0 | 0 | 0 | 110.5 | L225 A229 A230 F231 | L225-I227 PolarHBondContact O-N 3.09Å; I227-A229 PolarHBondContact O-N 2.81Å; I227-A230 WeakPolarHBondContact O-CA 3.44Å; I227-A230 WeakPolarHBondContact O-CB 3.2Å; I227-A230 PolarHBondContact O-N 2.81Å; I227-F231 HydrophobicContact CG2-CD2 3.67Å; I227-F231 HydrophobicContact CG2-CE2 4.06Å; I227-F231 VanDerWaalsContact O-CD2 3.31Å; I227-F231 WeakPolarHBondContact O-CD2 3.35Å; I227-F231 PolarHBondContact O-N 3.08Å |
| 228 | S | 93.7 | Very high | 83.8 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.6 | -17.6 | 178.5 | 54.3 | 0 | 0 | 0 | 0 | 114.7 | L94 N96 P226 A230 | L94-S228 WeakPolarHBondContact CD1-OG 3.35Å; L94-S228 WeakPolarHBondContact CG-OG 3.48Å; L94-S228 VanDerWaalsContact O-CB 3.23Å; L94-S228 WeakPolarHBondContact O-CB 3.36Å; L94-S228 PolarHBondContact O-OG 2.78Å; N96-S228 PolarHBondContact N-O 2.82Å; P226-S228 PolarHBondContact O-N 3.4Å; S228-A230 VanDerWaalsContact C-N 3.3Å |
| 229 | A | 95.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82.8 | -14.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V62 A64 L94 N96 W161 L225 P226 I227 | V62-A229 HydrophobicContact CG1-CB 4.24Å; V62-A229 WeakPolarHBondContact CG1-O 3.44Å; A64-A229 HydrophobicContact CB-CB 4.14Å; L94-A229 HydrophobicContact CD1-CB 3.56Å; L94-A229 VanDerWaalsContact CD1-N 3.27Å; N96-A229 PolarHBondContact ND2-O 3.24Å; W161-A229 HydrophobicContact CE3-CB 4.46Å; W161-A229 HydrophobicContact CH2-CB 4.18Å; W161-A229 HydrophobicContact CZ3-CB 3.87Å; L225-A229 HydrophobicContact CD1-CB 3.86Å; L225-A229 HydrophobicContact CG-CB 4.19Å; P226-A229 HydrophobicContact CB-CB 4.42Å; P226-A229 WeakPolarHBondContact O-CB 3.46Å; P226-A229 PolarHBondContact O-N 3.35Å; I227-A229 PolarHBondContact O-N 2.81Å |
| 230 | A | 93.5 | Very high | 87.4 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -101.9 | -13.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y103 P104 L225 P226 I227 S228 | Y103-A230 WeakPolarHBondContact CB-O 3.22Å; P104-A230 HydrophobicContact CB-CB 4.39Å; L225-A230 HydrophobicContact CD2-CB 3.93Å; P226-A230 PolarHBondContact O-N 3.13Å; I227-A230 WeakPolarHBondContact O-CA 3.44Å; I227-A230 WeakPolarHBondContact O-CB 3.2Å; I227-A230 PolarHBondContact O-N 2.81Å; S228-A230 VanDerWaalsContact C-N 3.3Å |
| 231 | F | 93.8 | Very high | 89.5 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -141.6 | 160.9 | -167.5 | -67.6 | -72.1 | 0 | 0 | 0 | 111.3 | I227 | I227-F231 HydrophobicContact CG2-CD2 3.67Å; I227-F231 HydrophobicContact CG2-CE2 4.06Å; I227-F231 VanDerWaalsContact O-CD2 3.31Å; I227-F231 WeakPolarHBondContact O-CD2 3.35Å; I227-F231 PolarHBondContact O-N 3.08Å |
| 232 | P | 95.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -57.4 | 161.7 | 175.9 | 22.6 | -35.2 | 0 | 0 | 0 | 113.9 | R92 Y103 | R92-P232 PolarHBondContact NH1-O 2.72Å; R92-P232 PolarHBondContact NH2-O 3.14Å; Y103-P232 HydrophobicContact CE1-CB 4.22Å; Y103-P232 HydrophobicContact CE2-CB 4.16Å |
| 233 | P | 96.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | cis | -77.5 | 160.3 | -5.9 | 33.2 | -38 | 0 | 0 | 0 | 112.3 | P86 I95 A237 A238 Q260 I262 | P86-P233 HydrophobicContact CG-CG 4.44Å; I95-P233 WeakPolarHBondContact CG2-O 3.4Å; P233-A237 HydrophobicContact CB-CB 4.48Å; P233-A238 HydrophobicContact CB-CB 4.03Å; P233-A238 HydrophobicContact CG-CB 3.8Å; P233-Q260 HydrophobicContact CB-CB 3.84Å; P233-I262 HydrophobicContact CG-CG2 3.94Å |
| 234 | H | 96.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 12% | 0.116 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -85.6 | 161.4 | 162.4 | 69.4 | -2.7 | 0 | 0 | 0 | 111.6 | N96 S98 G100 Y103 N236 A237 A238 | N96-H234 CarbonylContact O-C 3.49Å; N96-H234 WeakPolarHBondContact O-CA 3.43Å; S98-H234 PolarHBondContact O-CD2 2.75Å; G100-H234 VanDerWaalsContact CA-CD2 3.47Å; G100-H234 WeakPolarHBondContact CA-CD2 3.49Å; G100-H234 PolarHBondContact N-CD2 3.28Å; G100-H234 VanDerWaalsContact N-CD2 3.3Å; Y103-H234 HydrophobicContact CE1-CB 4.19Å; Y103-H234 PolarHBondContact OH-N 2.97Å; Y103-H234 VanDerWaalsContact OH-N 3.12Å; H234-N236 PolarHBondContact O-N 3.2Å; H234-A237 WeakPolarHBondContact CE1-CB 3.36Å; H234-A237 PolarHBondContact CE1-N 2.89Å; H234-A237 WeakPolarHBondContact ND1-CB 3.45Å; H234-A237 PolarHBondContact ND1-N 3.5Å; H234-A237 PolarHBondContact O-N 3.22Å; H234-A238 PolarHBondContact O-N 3.4Å |
| 235 | C | 97.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -44 | -55.4 | -179.5 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | F84 N96 D97 A237 A238 Q239 | F84-C235 HydrophobicContact CE1-CB 3.83Å; F84-C235 WeakPolarHBondContact CE1-O 3.38Å; F84-C235 HydrophobicContact CZ-CB 3.65Å; N96-C235 PolarHBondContact O-N 2.89Å; N96-C235 PolarHBondContact O-SG 3.04Å; D97-C235 VanDerWaalsContact OD1-CB 3.25Å; D97-C235 WeakPolarHBondContact OD1-CB 3.42Å; D97-C235 PolarHBondContact OD1-SG 2.98Å; C235-A237 PolarHBondContact O-N 2.87Å; C235-A237 VanDerWaalsContact O-N 3.12Å; C235-A238 PolarHBondContact O-N 3.25Å; C235-Q239 PolarHBondContact O-N 3.44Å |
| 236 | N | 95.2 | Very high | 94.6 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -22.5 | -176.3 | -72 | -22.5 | 0 | 0 | 0 | 114.7 | H234 | H234-N236 PolarHBondContact O-N 3.2Å |
| 237 | A | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -92 | -27.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P233 H234 C235 K259 Q260 | P233-A237 HydrophobicContact CB-CB 4.48Å; H234-A237 WeakPolarHBondContact CE1-CB 3.36Å; H234-A237 PolarHBondContact CE1-N 2.89Å; H234-A237 WeakPolarHBondContact ND1-CB 3.45Å; H234-A237 PolarHBondContact ND1-N 3.5Å; H234-A237 PolarHBondContact O-N 3.22Å; C235-A237 PolarHBondContact O-N 2.87Å; C235-A237 VanDerWaalsContact O-N 3.12Å; A237-K259 HydrophobicContact CB-CB 4.07Å; A237-K259 PolarHBondContact O-N 2.94Å; A237-Q260 HydrophobicContact CB-CB 3.84Å; A237-Q260 HydrophobicContact CB-CG 3.79Å; A237-Q260 PolarHBondContact O-N 2.89Å |
| 238 | A | 97.1 | Very high | 94 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -84.1 | -16.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F84 I95 P233 H234 C235 | F84-A238 HydrophobicContact CD1-CB 4.31Å; I95-A238 HydrophobicContact CD1-CB 4.26Å; I95-A238 HydrophobicContact CG2-CB 4.4Å; P233-A238 HydrophobicContact CB-CB 4.03Å; P233-A238 HydrophobicContact CG-CB 3.8Å; H234-A238 PolarHBondContact O-N 3.4Å; C235-A238 PolarHBondContact O-N 3.25Å |
| 239 | Q | 96.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 142.4 | -175.8 | 67.1 | -174.2 | -2 | 0 | 0 | 113.6 | W82 E83 F84 C235 P258 | W82-Q239 HydrophobicContact CE3-CB 3.9Å; W82-Q239 HydrophobicContact CE3-CG 3.89Å; W82-Q239 HydrophobicContact CZ3-CB 4.2Å; W82-Q239 HydrophobicContact CZ3-CG 3.73Å; E83-Q239 WeakPolarHBondContact O-CA 3.15Å; F84-Q239 HydrophobicContact CD1-CB 3.81Å; F84-Q239 HydrophobicContact CE1-CB 3.73Å; C235-Q239 PolarHBondContact O-N 3.44Å; Q239-P258 VanDerWaalsContact O-CA 3.29Å; Q239-P258 WeakPolarHBondContact O-CA 3.36Å |
| 240 | S | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.7 | 169.1 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | W82 E83 V256 W268 | W82-S240 WeakPolarHBondContact CA-O 3.49Å; W82-S240 VanDerWaalsContact CE3-C 3.5Å; E83-S240 PolarHBondContact N-O 3.17Å; E83-S240 PolarHBondContact O-N 3.07Å; E83-S240 PolarHBondContact O-OG 3.42Å; S240-V256 WeakPolarHBondContact CA-O 3.48Å; S240-V256 VanDerWaalsContact CB-O 3.3Å; S240-V256 WeakPolarHBondContact CB-O 3.16Å; S240-W268 WeakPolarHBondContact OG-CZ2 3.47Å |
| 241 | L | 96.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.6 | 170.8 | -175.9 | 62.6 | 0 | 0 | 0 | 108.9 | L81 W82 L255 V256 I288 | L81-L241 WeakPolarHBondContact O-CA 3.5Å; W82-L241 HydrophobicContact CD2-CB 4.04Å; W82-L241 HydrophobicContact CD2-CD1 4Å; W82-L241 HydrophobicContact CE3-CB 3.92Å; W82-L241 HydrophobicContact CG-CD1 4.02Å; W82-L241 HydrophobicContact CH2-CB 3.96Å; W82-L241 HydrophobicContact CZ2-CB 4.05Å; W82-L241 HydrophobicContact CZ2-CD2 4.25Å; W82-L241 HydrophobicContact CZ3-CB 3.88Å; L241-L255 HydrophobicContact CB-CB 4.22Å; L241-L255 HydrophobicContact CD2-CB 4.12Å; L241-L255 HydrophobicContact CD2-CD1 4Å; L241-L255 HydrophobicContact CG-CB 4.05Å; L241-L255 HydrophobicContact CG-CD1 3.94Å; L241-L255 HydrophobicContact CG-CG 4.45Å; L241-L255 WeakPolarHBondContact O-CA 3.12Å; L241-L255 WeakPolarHBondContact O-CB 3.45Å; L241-L255 PolarHBondContact O-N 2.93Å; L241-V256 HydrophobicContact CB-CB 3.77Å; L241-V256 HydrophobicContact CB-CG2 3.84Å; L241-V256 HydrophobicContact CD2-CG2 4.16Å; L241-V256 PolarHBondContact N-O 2.97Å; L241-V256 VanDerWaalsContact N-O 3.09Å; L241-V256 PolarHBondContact O-N 3.17Å; L241-V256 VanDerWaalsContact O-N 3.14Å; L241-I288 HydrophobicContact CD2-CD1 4.28Å |
| 242 | I | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.5 | -177.6 | -60.8 | 165.1 | 0 | 0 | 0 | 109.8 | S80 L81 E83 Y244 A252 R253 L254 W268 M272 L273 | S80-I242 CarbonylContact C-O 3.39Å; S80-I242 WeakPolarHBondContact CA-O 3.47Å; L81-I242 PolarHBondContact N-O 2.85Å; L81-I242 PolarHBondContact O-N 2.99Å; E83-I242 WeakPolarHBondContact OE2-CD1 3.49Å; I242-Y244 HydrophobicContact CB-CD2 4.47Å; I242-Y244 HydrophobicContact CB-CE2 3.7Å; I242-Y244 HydrophobicContact CG2-CD2 4.06Å; I242-Y244 HydrophobicContact CG2-CE1 4.18Å; I242-Y244 HydrophobicContact CG2-CE2 3.41Å; I242-Y244 VanDerWaalsContact CG2-CE2 3.41Å; I242-Y244 VanDerWaalsContact CG2-CZ 3.43Å; I242-Y244 WeakPolarHBondContact CG2-OH 3.33Å; I242-A252 HydrophobicContact CG2-CB 3.92Å; I242-R253 CarbonylContact C-O 3.55Å; I242-R253 WeakPolarHBondContact CA-O 3.47Å; I242-L254 HydrophobicContact CG1-CD1 3.87Å; I242-W268 HydrophobicContact CD1-CH2 4.42Å; I242-M272 HydrophobicContact CD1-CB 4Å; I242-M272 HydrophobicContact CD1-CE 3.49Å; I242-M272 VanDerWaalsContact CD1-CE 3.49Å; I242-L273 HydrophobicContact CD1-CD2 3.86Å; I242-L273 HydrophobicContact CG1-CD2 4.04Å; I242-L273 HydrophobicContact CG2-CD2 3.62Å |
| 243 | W | 93 | Very high | 92.4 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128.9 | 172.5 | 174.1 | -110.1 | 0 | 0 | 0 | 111.3 | Y74 I77 Q79 L141 F143 A252 R253 L255 | Y74-W243 HydrophobicContact CD2-CH2 4.27Å; Y74-W243 AromaticContact CD2-CZ3 3.62Å; Y74-W243 HydrophobicContact CD2-CZ3 3.62Å; Y74-W243 HydrophobicContact CE2-CZ3 4.29Å; Y74-W243 HydrophobicContact CG-CH2 4.37Å; Y74-W243 HydrophobicContact CG-CZ3 4.13Å; I77-W243 HydrophobicContact CG2-CZ2 4.39Å; Q79-W243 VanDerWaalsContact C-CZ3 3.48Å; Q79-W243 VanDerWaalsContact N-CZ3 3.31Å; Q79-W243 VanDerWaalsContact O-CE3 3.3Å; L141-W243 HydrophobicContact CD1-CD2 3.88Å; L141-W243 HydrophobicContact CD1-CE3 3.23Å; L141-W243 HydrophobicContact CD1-CH2 4.1Å; L141-W243 HydrophobicContact CD1-CZ3 3.36Å; F143-W243 HydrophobicContact CE2-CB 4.32Å; F143-W243 AromaticContact CE2-CD1 3.96Å; F143-W243 HydrophobicContact CE2-CD2 4.25Å; F143-W243 AromaticContact CE2-CG 3.92Å; F143-W243 HydrophobicContact CE2-CG 3.92Å; W243-A252 VanDerWaalsContact O-CA 3.32Å; W243-A252 WeakPolarHBondContact O-CA 3.17Å; W243-R253 HydrophobicContact CB-CB 4.29Å; W243-R253 PolarHBondContact N-O 2.79Å; W243-R253 PolarHBondContact O-N 3.46Å; W243-L255 HydrophobicContact CB-CD1 3.89Å; W243-L255 HydrophobicContact CB-CD2 4.05Å; W243-L255 HydrophobicContact CB-CG 4.05Å |
| 244 | Y | 92.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.5 | 173.7 | -66.6 | -84.4 | 0 | 0 | 0 | 109.2 | G78 Q79 L81 E83 K88 I242 A252 M272 | G78-Y244 CarbonylContact C-O 3.58Å; G78-Y244 WeakPolarHBondContact CA-O 3.42Å; Q79-Y244 PolarHBondContact N-O 3.35Å; Q79-Y244 PolarHBondContact O-N 3.28Å; L81-Y244 HydrophobicContact CB-CD2 4.42Å; L81-Y244 HydrophobicContact CB-CE2 4.29Å; L81-Y244 HydrophobicContact CD1-CD2 3.57Å; L81-Y244 HydrophobicContact CD1-CE2 4.19Å; L81-Y244 HydrophobicContact CD1-CG 4.45Å; E83-Y244 PolarHBondContact OE2-OH 2.95Å; K88-Y244 PolarHBondContact NZ-OH 2.61Å; I242-Y244 HydrophobicContact CB-CD2 4.47Å; I242-Y244 HydrophobicContact CB-CE2 3.7Å; I242-Y244 HydrophobicContact CG2-CD2 4.06Å; I242-Y244 HydrophobicContact CG2-CE1 4.18Å; I242-Y244 HydrophobicContact CG2-CE2 3.41Å; I242-Y244 VanDerWaalsContact CG2-CE2 3.41Å; I242-Y244 VanDerWaalsContact CG2-CZ 3.43Å; I242-Y244 WeakPolarHBondContact CG2-OH 3.33Å; Y244-A252 HydrophobicContact CD1-CB 3.74Å; Y244-A252 HydrophobicContact CE1-CB 3.44Å; Y244-A252 VanDerWaalsContact CE1-CB 3.44Å; Y244-M272 PolarHBondContact OH-O 2.79Å; Y244-M272 VanDerWaalsContact OH-O 3.1Å |
| 245 | H | 91.5 | Very high | 92 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 32% | 0.319 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 149.3 | 171.9 | -167.6 | -93.5 | 0 | 0 | 0 | 110.1 | I77 D247 T250 | I77-H245 WeakPolarHBondContact CG2-NE2 3.43Å; H245-D247 WeakPolarHBondContact ND1-CB 3.32Å; H245-D247 PolarHBondContact ND1-N 2.85Å; H245-T250 HydrophobicContact CB-CG2 3.72Å |
| 246 | K | 89.3 | Confident | 91.8 | Very high | 130 Ų | 130 | 49.6 Ų | 49.6 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -72.8 | -27.3 | 179.4 | -75.7 | -149.7 | -166 | 158.4 | 0 | 113.7 | G76 I77 P248 | G76-K246 WeakPolarHBondContact O-CD 3.4Å; G76-K246 WeakPolarHBondContact O-CE 3.32Å; G76-K246 WeakPolarHBondContact O-CG 3.29Å; G76-K246 PolarHBondContact O-NZ 3.25Å; I77-K246 WeakPolarHBondContact O-CB 3.29Å; I77-K246 WeakPolarHBondContact O-CG 3.4Å; I77-K246 PolarHBondContact O-N 3.14Å; K246-P248 WeakPolarHBondContact O-CD 3.4Å |
| 247 | D | 88.9 | Confident | 91.8 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -66.2 | 112.4 | 168.1 | 178.2 | 10.1 | 0 | 0 | 0 | 109 | H245 Q249 T250 | H245-D247 WeakPolarHBondContact ND1-CB 3.32Å; H245-D247 PolarHBondContact ND1-N 2.85Å; D247-Q249 PolarHBondContact O-N 3.1Å; D247-Q249 VanDerWaalsContact O-N 3.11Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.25Å; D247-Q249 PolarHBondContact OD1-N 2.96Å; D247-T250 WeakPolarHBondContact O-CB 2.96Å; D247-T250 PolarHBondContact O-N 2.9Å |
| 248 | P | 83.6 | Confident | 91.8 | Very high | 115 Ų | 115 | 47 Ų | 47 | 75% | 0.747 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.3 | -178.7 | 29.5 | -37.3 | 0 | 0 | 0 | 113.4 | K246 T250 | K246-P248 WeakPolarHBondContact O-CD 3.4Å; P248-T250 VanDerWaalsContact C-N 3.28Å |
| 249 | Q | 85.6 | Confident | 91.7 | Very high | 164 Ų | 164 | 54.3 Ų | 54.3 | 77% | 0.766 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.8 | 174.3 | -56.9 | -57.5 | -26.4 | 0 | 0 | 112.9 | D247 | D247-Q249 PolarHBondContact O-N 3.1Å; D247-Q249 VanDerWaalsContact O-N 3.11Å; D247-Q249 WeakPolarHBondContact OD1-CB 3.25Å; D247-Q249 PolarHBondContact OD1-N 2.96Å |
| 250 | T | 86.2 | Confident | 91.6 | Very high | 64 Ų | 64 | 57 Ų | 57 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -87.9 | 123.7 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | H245 D247 P248 | H245-T250 HydrophobicContact CB-CG2 3.72Å; D247-T250 WeakPolarHBondContact O-CB 2.96Å; D247-T250 PolarHBondContact O-N 2.9Å; P248-T250 VanDerWaalsContact C-N 3.28Å |
| 251 | T | 86.3 | Confident | 91.6 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 143.2 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 252 | A | 91.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 144.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I242 W243 Y244 L273 | I242-A252 HydrophobicContact CG2-CB 3.92Å; W243-A252 VanDerWaalsContact O-CA 3.32Å; W243-A252 WeakPolarHBondContact O-CA 3.17Å; Y244-A252 HydrophobicContact CD1-CB 3.74Å; Y244-A252 HydrophobicContact CE1-CB 3.44Å; Y244-A252 VanDerWaalsContact CE1-CB 3.44Å; A252-L273 HydrophobicContact CB-CD2 4.09Å |
| 253 | R | 89.6 | Confident | 91.7 | Very high | 102 Ų | 102 | 63.2 Ų | 63.2 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.3 | -179.8 | 177.3 | -177.5 | -79.1 | -147.9 | -5.3 | 109.9 | I242 W243 L255 E287 | I242-R253 CarbonylContact C-O 3.55Å; I242-R253 WeakPolarHBondContact CA-O 3.47Å; W243-R253 HydrophobicContact CB-CB 4.29Å; W243-R253 PolarHBondContact N-O 2.79Å; W243-R253 PolarHBondContact O-N 3.46Å; R253-L255 HydrophobicContact CG-CD2 4.05Å; R253-E287 WeakPolarHBondContact CD-OE2 3.17Å; R253-E287 IonicContact CZ-OE1 3.14Å; R253-E287 IonicContact CZ-OE2 3.89Å; R253-E287 IonicContact NE-OE2 2.97Å; R253-E287 IonicContact NH1-OE1 2.73Å; R253-E287 PolarHBondContact NH1-OE1 2.83Å; R253-E287 IonicContact NH1-OE2 3.58Å; R253-E287 PolarHBondContact NH1-OE2 3.23Å |
| 254 | L | 92.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.8 | 170.4 | 177.3 | 64.5 | 0 | 0 | 0 | 109.9 | I242 V256 P257 W265 W268 L273 V285 | I242-L254 HydrophobicContact CG1-CD1 3.87Å; L254-V256 VanDerWaalsContact CD1-O 3.25Å; L254-V256 WeakPolarHBondContact CD1-O 3.44Å; L254-P257 HydrophobicContact CD2-CB 4.07Å; L254-W265 HydrophobicContact CD2-CH2 3.69Å; L254-W265 HydrophobicContact CD2-CZ2 4.21Å; L254-W268 HydrophobicContact CD1-CH2 3.7Å; L254-W268 HydrophobicContact CD1-CZ3 4.3Å; L254-W268 HydrophobicContact CD2-CH2 4.09Å; L254-W268 HydrophobicContact CD2-CZ3 3.92Å; L254-W268 HydrophobicContact CG-CH2 4.5Å; L254-L273 HydrophobicContact CB-CD1 4.02Å; L254-L273 HydrophobicContact CB-CD2 4.4Å; L254-V285 HydrophobicContact CB-CG1 3.75Å; L254-V285 HydrophobicContact CD2-CB 4.41Å; L254-V285 HydrophobicContact CD2-CG1 4Å; L254-V285 HydrophobicContact CG-CG1 3.87Å; L254-V285 WeakPolarHBondContact O-CG1 3.45Å |
| 255 | L | 91.6 | Very high | 92 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -41.3 | 179.5 | -53.3 | -177.3 | 0 | 0 | 0 | 111.7 | L141 F143 L241 W243 R253 I288 | L141-L255 HydrophobicContact CD2-CD1 3.99Å; F143-L255 HydrophobicContact CE1-CD2 3.54Å; F143-L255 HydrophobicContact CE2-CD2 4.17Å; F143-L255 HydrophobicContact CZ-CD1 4.11Å; F143-L255 HydrophobicContact CZ-CD2 3.19Å; F143-L255 HydrophobicContact CZ-CG 4.27Å; L241-L255 HydrophobicContact CB-CB 4.22Å; L241-L255 HydrophobicContact CD2-CB 4.12Å; L241-L255 HydrophobicContact CD2-CD1 4Å; L241-L255 HydrophobicContact CG-CB 4.05Å; L241-L255 HydrophobicContact CG-CD1 3.94Å; L241-L255 HydrophobicContact CG-CG 4.45Å; L241-L255 WeakPolarHBondContact O-CA 3.12Å; L241-L255 WeakPolarHBondContact O-CB 3.45Å; L241-L255 PolarHBondContact O-N 2.93Å; W243-L255 HydrophobicContact CB-CD1 3.89Å; W243-L255 HydrophobicContact CB-CD2 4.05Å; W243-L255 HydrophobicContact CB-CG 4.05Å; R253-L255 HydrophobicContact CG-CD2 4.05Å; L255-I288 HydrophobicContact CB-CD1 4.02Å; L255-I288 HydrophobicContact CD1-CD1 4.01Å; L255-I288 HydrophobicContact CG-CD1 4.47Å |
| 256 | V | 92.7 | Very high | 92.1 | Very high | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 114.9 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | W82 S240 L241 L254 | W82-V256 HydrophobicContact CH2-CB 4.14Å; W82-V256 HydrophobicContact CH2-CG1 4.09Å; W82-V256 HydrophobicContact CH2-CG2 4.23Å; W82-V256 HydrophobicContact CZ3-CB 4.31Å; W82-V256 HydrophobicContact CZ3-CG1 4.27Å; S240-V256 WeakPolarHBondContact CA-O 3.48Å; S240-V256 VanDerWaalsContact CB-O 3.3Å; S240-V256 WeakPolarHBondContact CB-O 3.16Å; L241-V256 HydrophobicContact CB-CB 3.77Å; L241-V256 HydrophobicContact CB-CG2 3.84Å; L241-V256 HydrophobicContact CD2-CG2 4.16Å; L241-V256 PolarHBondContact N-O 2.97Å; L241-V256 VanDerWaalsContact N-O 3.09Å; L241-V256 PolarHBondContact O-N 3.17Å; L241-V256 VanDerWaalsContact O-N 3.14Å; L254-V256 VanDerWaalsContact CD1-O 3.25Å; L254-V256 WeakPolarHBondContact CD1-O 3.44Å |
| 257 | P | 95.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 8% | 0.078 | 35% | 0.345 | C | S | . | . | trans | -70.6 | 153.2 | 175.7 | 29.6 | -34.3 | 0 | 0 | 0 | 111.6 | L254 W265 P282 F286 | L254-P257 HydrophobicContact CD2-CB 4.07Å; P257-W265 HydrophobicContact CB-CH2 4.41Å; P257-P282 HydrophobicContact CB-CB 4.02Å; P257-P282 HydrophobicContact CG-CB 4.36Å; P257-F286 HydrophobicContact CG-CE1 3.84Å; P257-F286 HydrophobicContact CG-CE2 4.13Å; P257-F286 HydrophobicContact CG-CZ 3.62Å | ||
| 258 | P | 96.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | trans | -69.3 | 149.8 | 172.3 | 32.9 | -36.7 | 0 | 0 | 0 | 111.1 | Q239 I261 W265 W268 | Q239-P258 VanDerWaalsContact O-CA 3.29Å; Q239-P258 WeakPolarHBondContact O-CA 3.36Å; P258-I261 HydrophobicContact CB-CG2 4.14Å; P258-I261 HydrophobicContact CG-CG2 3.39Å; P258-W265 HydrophobicContact CG-CZ3 4.41Å; P258-W268 HydrophobicContact CG-CD2 4.5Å; P258-W268 HydrophobicContact CG-CZ2 3.69Å | ||
| 259 | K | 95.3 | Very high | 93.4 | Very high | 154 Ų | 154 | 58.2 Ų | 58.2 | 67% | 0.67 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -77.9 | -27.5 | 173.4 | -63.1 | 178.1 | 179 | 172.7 | 0 | 112.1 | A237 | A237-K259 HydrophobicContact CB-CB 4.07Å; A237-K259 PolarHBondContact O-N 2.94Å |
| 260 | Q | 95.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | trans | -139.4 | 140.7 | 177.6 | -66.4 | -179.7 | 8.9 | 0 | 0 | 110.8 | P233 A237 | P233-Q260 HydrophobicContact CB-CB 3.84Å; A237-Q260 HydrophobicContact CB-CB 3.84Å; A237-Q260 HydrophobicContact CB-CG 3.79Å; A237-Q260 PolarHBondContact O-N 2.89Å | ||
| 261 | I | 96.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | trans | -128.9 | 160.1 | 177.9 | 59.9 | -178.3 | 0 | 0 | 0 | 109.9 | P258 V263 W265 W268 | P258-I261 HydrophobicContact CB-CG2 4.14Å; P258-I261 HydrophobicContact CG-CG2 3.39Å; I261-V263 WeakPolarHBondContact CD1-O 3.08Å; I261-V263 WeakPolarHBondContact CG1-O 3.45Å; I261-W265 HydrophobicContact CD1-CB 4.28Å; I261-W265 HydrophobicContact CD1-CE3 4.15Å; I261-W268 VanDerWaalsContact CG2-CD1 3.48Å; I261-W268 HydrophobicContact CG2-CG 4.05Å | ||
| 262 | I | 96 | Very high | 94.7 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -110.5 | -0.1 | -178 | 60.6 | 162.9 | 0 | 0 | 0 | 113.6 | P86 L91 R92 P233 | P86-I262 HydrophobicContact CB-CD1 3.72Å; P86-I262 HydrophobicContact CG-CD1 3.83Å; P86-I262 HydrophobicContact CG-CG1 4.09Å; P86-I262 HydrophobicContact CG-CG2 4.4Å; L91-I262 HydrophobicContact CB-CD1 3.98Å; L91-I262 HydrophobicContact CD1-CD1 4.09Å; R92-I262 HydrophobicContact CG-CD1 4.21Å; P233-I262 HydrophobicContact CG-CG2 3.94Å |
| 263 | V | 97.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -134.9 | 163.8 | 178.9 | -65.4 | 0 | 0 | 0 | 0 | 108.8 | H85 L91 I261 E267 W268 | H85-V263 WeakPolarHBondContact CE1-CG2 3.29Å; L91-V263 HydrophobicContact CD1-CG1 3.59Å; I261-V263 WeakPolarHBondContact CD1-O 3.08Å; I261-V263 WeakPolarHBondContact CG1-O 3.45Å; V263-E267 HydrophobicContact CB-CB 4.19Å; V263-E267 HydrophobicContact CB-CG 4.09Å; V263-E267 HydrophobicContact CG1-CG 4.44Å; V263-E267 WeakPolarHBondContact CG1-OE1 3.25Å; V263-E267 HydrophobicContact CG2-CB 4.15Å; V263-E267 HydrophobicContact CG2-CG 4.16Å; V263-W268 HydrophobicContact CG2-CB 3.9Å |
| 264 | P | 96.6 | Very high | 94.8 | Very high | 88 Ų | 88 | 46 Ų | 46 | 57% | 0.571 | 24% | 0.236 | S | C | * | . | trans | -52.8 | 148.5 | 168.6 | -25.6 | 36 | 0 | 0 | 0 | 112.3 | E266 E267 W268 | P264-E266 VanDerWaalsContact C-N 3.29Å; P264-E266 PolarHBondContact O-N 3Å; P264-E267 WeakPolarHBondContact CD-OE2 3.46Å; P264-E267 WeakPolarHBondContact O-CB 3.38Å; P264-E267 PolarHBondContact O-N 2.79Å; P264-E267 VanDerWaalsContact O-N 3.14Å; P264-W268 PolarHBondContact O-N 3.3Å | ||
| 265 | W | 95.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -38.2 | -175.8 | 175.9 | -110.4 | 0 | 0 | 0 | 114.1 | L254 P257 P258 I261 W268 V269 C280 P282 | L254-W265 HydrophobicContact CD2-CH2 3.69Å; L254-W265 HydrophobicContact CD2-CZ2 4.21Å; P257-W265 HydrophobicContact CB-CH2 4.41Å; P258-W265 HydrophobicContact CG-CZ3 4.41Å; I261-W265 HydrophobicContact CD1-CB 4.28Å; I261-W265 HydrophobicContact CD1-CE3 4.15Å; W265-W268 HydrophobicContact CE3-CB 4.37Å; W265-W268 HydrophobicContact CE3-CD2 4.19Å; W265-W268 AromaticContact CE3-CE3 3.98Å; W265-W268 HydrophobicContact CE3-CE3 3.98Å; W265-W268 HydrophobicContact CE3-CG 4.37Å; W265-W268 HydrophobicContact CH2-CD2 4.47Å; W265-W268 AromaticContact CH2-CE3 3.68Å; W265-W268 HydrophobicContact CH2-CE3 3.68Å; W265-W268 HydrophobicContact CH2-CH2 4.49Å; W265-W268 AromaticContact CH2-CZ3 3.71Å; W265-W268 HydrophobicContact CH2-CZ3 3.71Å; W265-W268 HydrophobicContact CZ2-CE3 4.42Å; W265-W268 AromaticContact CZ3-CD2 3.78Å; W265-W268 HydrophobicContact CZ3-CD2 3.78Å; W265-W268 AromaticContact CZ3-CE3 3.41Å; W265-W268 HydrophobicContact CZ3-CE3 3.41Å; W265-W268 VanDerWaalsContact CZ3-CE3 3.41Å; W265-W268 HydrophobicContact CZ3-CG 4.39Å; W265-W268 AromaticContact CZ3-CZ3 3.85Å; W265-W268 HydrophobicContact CZ3-CZ3 3.85Å; W265-W268 WeakPolarHBondContact O-CB 3.46Å; W265-W268 PolarHBondContact O-N 2.97Å; W265-V269 HydrophobicContact CD2-CG2 4.11Å; W265-V269 HydrophobicContact CH2-CG2 4.38Å; W265-V269 HydrophobicContact CZ2-CG2 3.74Å; W265-V269 WeakPolarHBondContact O-CG2 3.5Å; W265-V269 PolarHBondContact O-N 3.13Å; W265-C280 PolarHBondContact NE1-O 2.77Å; W265-P282 HydrophobicContact CD2-CG 3.85Å; W265-P282 HydrophobicContact CE3-CG 3.94Å; W265-P282 HydrophobicContact CH2-CB 4.23Å; W265-P282 HydrophobicContact CH2-CG 3.87Å; W265-P282 HydrophobicContact CZ2-CB 4.32Å; W265-P282 HydrophobicContact CZ2-CG 3.78Å; W265-P282 HydrophobicContact CZ3-CG 3.96Å |
| 266 | E | 94.6 | Very high | 94.1 | Very high | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 177 | 177.3 | 165.8 | -157.6 | 0 | 0 | 111.8 | P264 W268 V269 H270 V279 | P264-E266 VanDerWaalsContact C-N 3.29Å; P264-E266 PolarHBondContact O-N 3Å; E266-W268 VanDerWaalsContact C-N 3.33Å; E266-W268 PolarHBondContact O-N 2.95Å; E266-V269 PolarHBondContact O-N 3.14Å; E266-H270 PolarHBondContact O-CD2 3.06Å; E266-H270 PolarHBondContact O-N 3.23Å; E266-V279 HydrophobicContact CB-CG2 4.48Å; E266-V279 HydrophobicContact CG-CG2 4.07Å |
| 267 | E | 96.1 | Very high | 93.8 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 173.7 | -174.4 | 177.3 | 160.3 | 0 | 0 | 111 | V263 P264 V269 H270 D271 | V263-E267 HydrophobicContact CB-CB 4.19Å; V263-E267 HydrophobicContact CB-CG 4.09Å; V263-E267 HydrophobicContact CG1-CG 4.44Å; V263-E267 WeakPolarHBondContact CG1-OE1 3.25Å; V263-E267 HydrophobicContact CG2-CB 4.15Å; V263-E267 HydrophobicContact CG2-CG 4.16Å; P264-E267 WeakPolarHBondContact CD-OE2 3.46Å; P264-E267 WeakPolarHBondContact O-CB 3.38Å; P264-E267 PolarHBondContact O-N 2.79Å; P264-E267 VanDerWaalsContact O-N 3.14Å; E267-V269 PolarHBondContact O-N 2.93Å; E267-H270 PolarHBondContact O-N 3.26Å; E267-D271 WeakPolarHBondContact O-CB 3.22Å; E267-D271 PolarHBondContact O-N 3.26Å |
| 268 | W | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 175.2 | -173.5 | 95.8 | 0 | 0 | 0 | 112.3 | H85 S240 I242 L254 P258 I261 V263 P264 W265 E266 H270 D271 M272 | H85-W268 AromaticContact CD2-CD1 3.64Å; H85-W268 AromaticContact CG-CD1 3.33Å; H85-W268 AromaticContact CG-NE1 3.58Å; H85-W268 AromaticContact ND1-CD1 3.79Å; S240-W268 WeakPolarHBondContact OG-CZ2 3.47Å; I242-W268 HydrophobicContact CD1-CH2 4.42Å; L254-W268 HydrophobicContact CD1-CH2 3.7Å; L254-W268 HydrophobicContact CD1-CZ3 4.3Å; L254-W268 HydrophobicContact CD2-CH2 4.09Å; L254-W268 HydrophobicContact CD2-CZ3 3.92Å; L254-W268 HydrophobicContact CG-CH2 4.5Å; P258-W268 HydrophobicContact CG-CD2 4.5Å; P258-W268 HydrophobicContact CG-CZ2 3.69Å; I261-W268 VanDerWaalsContact CG2-CD1 3.48Å; I261-W268 HydrophobicContact CG2-CG 4.05Å; V263-W268 HydrophobicContact CG2-CB 3.9Å; P264-W268 PolarHBondContact O-N 3.3Å; W265-W268 HydrophobicContact CE3-CB 4.37Å; W265-W268 HydrophobicContact CE3-CD2 4.19Å; W265-W268 AromaticContact CE3-CE3 3.98Å; W265-W268 HydrophobicContact CE3-CE3 3.98Å; W265-W268 HydrophobicContact CE3-CG 4.37Å; W265-W268 HydrophobicContact CH2-CD2 4.47Å; W265-W268 AromaticContact CH2-CE3 3.68Å; W265-W268 HydrophobicContact CH2-CE3 3.68Å; W265-W268 HydrophobicContact CH2-CH2 4.49Å; W265-W268 AromaticContact CH2-CZ3 3.71Å; W265-W268 HydrophobicContact CH2-CZ3 3.71Å; W265-W268 HydrophobicContact CZ2-CE3 4.42Å; W265-W268 AromaticContact CZ3-CD2 3.78Å; W265-W268 HydrophobicContact CZ3-CD2 3.78Å; W265-W268 AromaticContact CZ3-CE3 3.41Å; W265-W268 HydrophobicContact CZ3-CE3 3.41Å; W265-W268 VanDerWaalsContact CZ3-CE3 3.41Å; W265-W268 HydrophobicContact CZ3-CG 4.39Å; W265-W268 AromaticContact CZ3-CZ3 3.85Å; W265-W268 HydrophobicContact CZ3-CZ3 3.85Å; W265-W268 WeakPolarHBondContact O-CB 3.46Å; W265-W268 PolarHBondContact O-N 2.97Å; E266-W268 VanDerWaalsContact C-N 3.33Å; E266-W268 PolarHBondContact O-N 2.95Å; W268-H270 VanDerWaalsContact C-N 3.32Å; W268-H270 PolarHBondContact O-N 3.42Å; W268-D271 PolarHBondContact O-N 3.01Å; W268-M272 HydrophobicContact CD2-CB 4.44Å; W268-M272 HydrophobicContact CD2-CG 3.79Å; W268-M272 HydrophobicContact CE3-CB 4.28Å; W268-M272 HydrophobicContact CE3-CG 4.13Å; W268-M272 HydrophobicContact CG-CG 4.32Å; W268-M272 HydrophobicContact CH2-CB 4.01Å; W268-M272 HydrophobicContact CH2-CG 3.93Å; W268-M272 HydrophobicContact CZ2-CB 4.22Å; W268-M272 HydrophobicContact CZ2-CE 4.31Å; W268-M272 HydrophobicContact CZ2-CG 3.63Å; W268-M272 HydrophobicContact CZ3-CB 4.05Å; W268-M272 HydrophobicContact CZ3-CG 4.18Å; W268-M272 VanDerWaalsContact O-CB 3.29Å; W268-M272 WeakPolarHBondContact O-CB 3.45Å; W268-M272 WeakPolarHBondContact O-CG 3.44Å; W268-M272 PolarHBondContact O-N 2.98Å |
| 269 | V | 94.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 179.1 | 165.6 | 0 | 0 | 0 | 0 | 110.5 | W265 E266 E267 L273 T277 V279 | W265-V269 HydrophobicContact CD2-CG2 4.11Å; W265-V269 HydrophobicContact CH2-CG2 4.38Å; W265-V269 HydrophobicContact CZ2-CG2 3.74Å; W265-V269 WeakPolarHBondContact O-CG2 3.5Å; W265-V269 PolarHBondContact O-N 3.13Å; E266-V269 PolarHBondContact O-N 3.14Å; E267-V269 PolarHBondContact O-N 2.93Å; V269-L273 HydrophobicContact CG1-CD1 4.3Å; V269-L273 WeakPolarHBondContact O-CA 3.48Å; V269-L273 VanDerWaalsContact O-CB 3.29Å; V269-L273 WeakPolarHBondContact O-CB 3.2Å; V269-L273 PolarHBondContact O-N 2.72Å; V269-T277 HydrophobicContact CG1-CG2 4.03Å; V269-V279 HydrophobicContact CB-CG2 4.43Å; V269-V279 HydrophobicContact CG1-CG2 4.15Å; V269-V279 HydrophobicContact CG2-CG1 4.45Å |
| 270 | H | 94.4 | Very high | 92 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 179.4 | -67.1 | -44.6 | 0 | 0 | 0 | 113 | E266 E267 W268 M272 G274 P275 | E266-H270 PolarHBondContact O-CD2 3.06Å; E266-H270 PolarHBondContact O-N 3.23Å; E267-H270 PolarHBondContact O-N 3.26Å; W268-H270 VanDerWaalsContact C-N 3.32Å; W268-H270 PolarHBondContact O-N 3.42Å; H270-M272 PolarHBondContact O-N 3.39Å; H270-G274 PolarHBondContact ND1-O 3.01Å; H270-G274 CarbonylContact O-C 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.42Å; H270-G274 PolarHBondContact O-N 3.47Å; H270-P275 PolarHBondContact CE1-O 3.1Å; H270-P275 PolarHBondContact ND1-O 2.89Å |
| 271 | D | 95.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 177.1 | -75.2 | -10.7 | 0 | 0 | 0 | 112.3 | H85 E267 W268 | H85-D271 IonicContact CD2-OD2 2.74Å; H85-D271 IonicContact CE1-OD2 2.63Å; H85-D271 IonicContact NE2-OD2 3.56Å; H85-D271 PolarHBondContact NE2-OD2 3.11Å; E267-D271 WeakPolarHBondContact O-CB 3.22Å; E267-D271 PolarHBondContact O-N 3.26Å; W268-D271 PolarHBondContact O-N 3.01Å |
| 272 | M | 95 | Very high | 90.2 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -89.9 | -39.1 | -172.4 | -64.6 | -59.8 | -66.8 | 0 | 0 | 113.6 | E83 H85 K88 I242 Y244 W268 H270 | E83-M272 HydrophobicContact CB-CE 3.74Å; H85-M272 WeakPolarHBondContact CA-SD 3.35Å; H85-M272 HydrophobicContact CB-CE 4.42Å; H85-M272 HydrophobicContact CB-CG 4.12Å; H85-M272 HydrophobicContact CB-SD 3.55Å; H85-M272 VanDerWaalsContact CB-SD 3.55Å; K88-M272 HydrophobicContact CB-SD 4.19Å; K88-M272 HydrophobicContact CD-CE 3.76Å; K88-M272 HydrophobicContact CD-SD 3.7Å; K88-M272 HydrophobicContact CG-SD 4.25Å; I242-M272 HydrophobicContact CD1-CB 4Å; I242-M272 HydrophobicContact CD1-CE 3.49Å; I242-M272 VanDerWaalsContact CD1-CE 3.49Å; Y244-M272 PolarHBondContact OH-O 2.79Å; Y244-M272 VanDerWaalsContact OH-O 3.1Å; W268-M272 HydrophobicContact CD2-CB 4.44Å; W268-M272 HydrophobicContact CD2-CG 3.79Å; W268-M272 HydrophobicContact CE3-CB 4.28Å; W268-M272 HydrophobicContact CE3-CG 4.13Å; W268-M272 HydrophobicContact CG-CG 4.32Å; W268-M272 HydrophobicContact CH2-CB 4.01Å; W268-M272 HydrophobicContact CH2-CG 3.93Å; W268-M272 HydrophobicContact CZ2-CB 4.22Å; W268-M272 HydrophobicContact CZ2-CE 4.31Å; W268-M272 HydrophobicContact CZ2-CG 3.63Å; W268-M272 HydrophobicContact CZ3-CB 4.05Å; W268-M272 HydrophobicContact CZ3-CG 4.18Å; W268-M272 VanDerWaalsContact O-CB 3.29Å; W268-M272 WeakPolarHBondContact O-CB 3.45Å; W268-M272 WeakPolarHBondContact O-CG 3.44Å; W268-M272 PolarHBondContact O-N 2.98Å; H270-M272 PolarHBondContact O-N 3.39Å |
| 273 | L | 93.3 | Very high | 89 | Confident | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -113.8 | -8.5 | -171.1 | -50 | -179.3 | 0 | 0 | 0 | 113 | I242 A252 L254 V269 T277 | I242-L273 HydrophobicContact CD1-CD2 3.86Å; I242-L273 HydrophobicContact CG1-CD2 4.04Å; I242-L273 HydrophobicContact CG2-CD2 3.62Å; A252-L273 HydrophobicContact CB-CD2 4.09Å; L254-L273 HydrophobicContact CB-CD1 4.02Å; L254-L273 HydrophobicContact CB-CD2 4.4Å; V269-L273 HydrophobicContact CG1-CD1 4.3Å; V269-L273 WeakPolarHBondContact O-CA 3.48Å; V269-L273 VanDerWaalsContact O-CB 3.29Å; V269-L273 WeakPolarHBondContact O-CB 3.2Å; V269-L273 PolarHBondContact O-N 2.72Å; L273-T277 HydrophobicContact CB-CG2 3.71Å; L273-T277 HydrophobicContact CD1-CG2 3.86Å; L273-T277 HydrophobicContact CG-CG2 4.45Å; L273-T277 PolarHBondContact O-OG1 3.35Å |
| 274 | G | 89.8 | Confident | 87.6 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | trans | 100 | 161.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H270 N276 T277 | H270-G274 PolarHBondContact ND1-O 3.01Å; H270-G274 CarbonylContact O-C 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.42Å; H270-G274 PolarHBondContact O-N 3.47Å; G274-N276 VanDerWaalsContact C-N 3.3Å; G274-N276 PolarHBondContact O-N 2.63Å; G274-T277 WeakPolarHBondContact O-CB 3.32Å; G274-T277 PolarHBondContact O-N 2.94Å | ||
| 275 | P | 85.8 | Confident | 85.9 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.1 | -170 | 25.6 | -35.1 | 0 | 0 | 0 | 114.2 | H270 T277 | H270-P275 PolarHBondContact CE1-O 3.1Å; H270-P275 PolarHBondContact ND1-O 2.89Å; P275-T277 VanDerWaalsContact C-N 3.34Å |
| 276 | N | 84.6 | Confident | 83.9 | Confident | 155 Ų | 155 | 73.1 Ų | 73.1 | 83% | 0.829 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.3 | -178.1 | -62.8 | -32.1 | 0 | 0 | 0 | 113.1 | G274 | G274-N276 VanDerWaalsContact C-N 3.3Å; G274-N276 PolarHBondContact O-N 2.63Å |
| 277 | T | 86.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -75.7 | 131.5 | -178.3 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | V269 L273 G274 P275 V279 | V269-T277 HydrophobicContact CG1-CG2 4.03Å; L273-T277 HydrophobicContact CB-CG2 3.71Å; L273-T277 HydrophobicContact CD1-CG2 3.86Å; L273-T277 HydrophobicContact CG-CG2 4.45Å; L273-T277 PolarHBondContact O-OG1 3.35Å; G274-T277 WeakPolarHBondContact O-CB 3.32Å; G274-T277 PolarHBondContact O-N 2.94Å; P275-T277 VanDerWaalsContact C-N 3.34Å; T277-V279 PolarHBondContact O-N 2.72Å |
| 278 | R | 84.4 | Confident | 80.3 | Confident | 211 Ų | 211 | 67.6 Ų | 67.6 | 80% | 0.796 | 35% | 0.346 | S | S | * | . | trans | -64.7 | 128.7 | 175.3 | -178.6 | -179.2 | 176.8 | -175.1 | -1.5 | 110 | C280 | R278-C280 PolarHBondContact O-N 3.34Š| ||
| 279 | V | 83.9 | Confident | 77.6 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | trans | -74.1 | 109.4 | 173.4 | -174 | 0 | 0 | 0 | 0 | 109.4 | E266 V269 T277 | E266-V279 HydrophobicContact CB-CG2 4.48Å; E266-V279 HydrophobicContact CG-CG2 4.07Å; V269-V279 HydrophobicContact CB-CG2 4.43Å; V269-V279 HydrophobicContact CG1-CG2 4.15Å; V269-V279 HydrophobicContact CG2-CG1 4.45Å; T277-V279 PolarHBondContact O-N 2.72Å | ||
| 280 | C | 81.3 | Confident | 75.1 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | trans | -106 | 151.7 | 167.5 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | W265 R278 E284 V285 | W265-C280 PolarHBondContact NE1-O 2.77Å; R278-C280 PolarHBondContact O-N 3.34Å; C280-E284 HydrophobicContact CB-CB 4.48Å; C280-V285 HydrophobicContact CB-CG2 3.97Å | ||
| 281 | K | 79.7 | Confident | 72.4 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | trans | -69.4 | 151 | 177.8 | -64.4 | 179.3 | 179.4 | 172.3 | 0 | 110.5 | N283 E284 V285 | K281-N283 WeakPolarHBondContact CB-OD1 3.15Å; K281-N283 PolarHBondContact O-N 3.44Å; K281-N283 VanDerWaalsContact O-N 3.1Å; K281-E284 HydrophobicContact CB-CG 4.06Å; K281-E284 PolarHBondContact N-OE2 2.97Å; K281-E284 WeakPolarHBondContact O-CB 3.08Å; K281-E284 PolarHBondContact O-N 3.47Å; K281-V285 WeakPolarHBondContact O-CG2 3.05Å | ||
| 282 | P | 73.7 | Confident | 69.9 | Low | 49 Ų | 49 | 81.1 Ų | 81.1 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -53.5 | -37.7 | -177.4 | -26.4 | 32.5 | 0 | 0 | 0 | 114.4 | P257 W265 E284 V285 | P257-P282 HydrophobicContact CB-CB 4.02Å; P257-P282 HydrophobicContact CG-CB 4.36Å; W265-P282 HydrophobicContact CD2-CG 3.85Å; W265-P282 HydrophobicContact CE3-CG 3.94Å; W265-P282 HydrophobicContact CH2-CB 4.23Å; W265-P282 HydrophobicContact CH2-CG 3.87Å; W265-P282 HydrophobicContact CZ2-CB 4.32Å; W265-P282 HydrophobicContact CZ2-CG 3.78Å; W265-P282 HydrophobicContact CZ3-CG 3.96Å; P282-E284 PolarHBondContact O-N 2.92Å; P282-V285 PolarHBondContact O-N 2.89Å |
| 283 | N | 71.1 | Confident | 67.2 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -74.4 | -8.4 | 179.3 | 61.4 | -36.4 | 0 | 0 | 0 | 114.6 | K281 | K281-N283 WeakPolarHBondContact CB-OD1 3.15Å; K281-N283 PolarHBondContact O-N 3.44Å; K281-N283 VanDerWaalsContact O-N 3.1Å |
| 284 | E | 66.4 | Low | 65.9 | Low | 121 Ų | 121 | 90.1 Ų | 90.1 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -92 | -3.1 | 176.2 | -62.3 | 168.1 | 175.4 | 0 | 0 | 112.1 | C280 K281 P282 | C280-E284 HydrophobicContact CB-CB 4.48Å; K281-E284 HydrophobicContact CB-CG 4.06Å; K281-E284 PolarHBondContact N-OE2 2.97Å; K281-E284 WeakPolarHBondContact O-CB 3.08Å; K281-E284 PolarHBondContact O-N 3.47Å; P282-E284 PolarHBondContact O-N 2.92Å |
| 285 | V | 61.3 | Low | 64.7 | Low | 21 Ų | 21 | 93.6 Ų | 93.6 | 13% | 0.127 | 48% | 0.483 | C | S | . | . | trans | -115 | 1.8 | -168 | -167.3 | 0 | 0 | 0 | 0 | 113.4 | L254 C280 K281 P282 E287 | L254-V285 HydrophobicContact CB-CG1 3.75Å; L254-V285 HydrophobicContact CD2-CB 4.41Å; L254-V285 HydrophobicContact CD2-CG1 4Å; L254-V285 HydrophobicContact CG-CG1 3.87Å; L254-V285 WeakPolarHBondContact O-CG1 3.45Å; C280-V285 HydrophobicContact CB-CG2 3.97Å; K281-V285 WeakPolarHBondContact O-CG2 3.05Å; P282-V285 PolarHBondContact O-N 2.89Å; V285-E287 PolarHBondContact O-N 3.39Å | ||
| 286 | F | 54.2 | Low | 63.5 | Low | 119 Ų | 119 | 93 Ų | 93 | 52% | 0.522 | 47% | 0.472 | S | S | . | . | trans | -70 | 97.3 | 178.3 | -73.1 | -78.7 | 0 | 0 | 0 | 111.1 | P257 | P257-F286 HydrophobicContact CG-CE1 3.84Å; P257-F286 HydrophobicContact CG-CE2 4.13Å; P257-F286 HydrophobicContact CG-CZ 3.62Å | ||
| 287 | E | 58.8 | Low | 62.3 | Low | 70 Ų | 70 | 89.4 Ų | 89.4 | 33% | 0.327 | 45% | 0.451 | S | S | . | . | trans | -108.6 | -13.2 | 179.3 | -67.2 | -171.4 | 171.5 | 0 | 0 | 113.8 | F143 R253 V285 | F143-E287 WeakPolarHBondContact CD1-OE2 3.43Å; R253-E287 WeakPolarHBondContact CD-OE2 3.17Å; R253-E287 IonicContact CZ-OE1 3.14Å; R253-E287 IonicContact CZ-OE2 3.89Å; R253-E287 IonicContact NE-OE2 2.97Å; R253-E287 IonicContact NH1-OE1 2.73Å; R253-E287 PolarHBondContact NH1-OE1 2.83Å; R253-E287 IonicContact NH1-OE2 3.58Å; R253-E287 PolarHBondContact NH1-OE2 3.23Å; V285-E287 PolarHBondContact O-N 3.39Å | ||
| 288 | I | 54.6 | Low | 60.8 | Low | 21 Ų | 21 | 93.7 Ų | 93.7 | 11% | 0.108 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -111.6 | 110.6 | 173.5 | -49.7 | -178 | 0 | 0 | 0 | 108.4 | V138 L141 L241 L255 I292 | V138-I288 HydrophobicContact CG1-CG2 4.38Å; L141-I288 HydrophobicContact CD2-CD1 3.75Å; L241-I288 HydrophobicContact CD2-CD1 4.28Å; L255-I288 HydrophobicContact CB-CD1 4.02Å; L255-I288 HydrophobicContact CD1-CD1 4.01Å; L255-I288 HydrophobicContact CG-CD1 4.47Å; I288-I292 HydrophobicContact CB-CD1 4.31Å; I288-I292 HydrophobicContact CG2-CD1 3.3Å |
| 289 | F | 40.6 | Very low | 59.2 | Low | 183 Ų | 183 | 85.9 Ų | 85.9 | 80% | 0.803 | 45% | 0.45 | S | S | * | . | trans | -83.2 | 137.1 | 172.5 | -69.8 | -87.5 | 0 | 0 | 0 | 110.1 | ||||
| 290 | G | 42.2 | Very low | 57.4 | Low | 54 Ų | 54 | 87.9 Ų | 87.9 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 135.7 | 151.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I292 | G290-I292 PolarHBondContact O-N 2.89Š|
| 291 | D | 37.1 | Very low | 55.6 | Low | 159 Ų | 159 | 91.3 Ų | 91.3 | 85% | 0.85 | 47% | 0.47 | S | S | * | . | trans | -66.4 | 71 | 172 | -68.3 | -44.9 | 0 | 0 | 0 | 109.8 | I293 | D291-I293 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 2.97Å | ||
| 292 | I | 43.5 | Very low | 53.6 | Low | 20 Ų | 20 | 88.3 Ų | 88.3 | 10% | 0.103 | 46% | 0.463 | C | S | . | . | trans | -86.5 | 82.7 | 170.3 | -55.7 | 177.8 | 0 | 0 | 0 | 105.9 | M32 W82 V138 I288 G290 | M32-I292 HydrophobicContact CE-CD1 4.3Å; M32-I292 HydrophobicContact CE-CG1 4.36Å; M32-I292 HydrophobicContact SD-CG1 4.44Å; W82-I292 HydrophobicContact CZ2-CG2 4.08Å; V138-I292 HydrophobicContact CG1-CD1 4.28Å; I288-I292 HydrophobicContact CB-CD1 4.31Å; I288-I292 HydrophobicContact CG2-CD1 3.3Å; G290-I292 PolarHBondContact O-N 2.89Å | ||
| 293 | I | 39.6 | Very low | 51.8 | Low | 126 Ų | 126 | 91.9 Ų | 91.9 | 65% | 0.646 | 48% | 0.476 | S | S | * | . | trans | -131.2 | 0 | 166.6 | -56.9 | 179.8 | 0 | 0 | 0 | 107.1 | D291 | D291-I293 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 2.97Å |
Retrieved 293 of 293 residues in 143.6 ms
(Link to these results)