A0A096N7T9_PAPAN Loading...

Chromosome 18 open reading frame 63

AlphaFold DB , UniProt , Accession A0A096N7T9, Species PAPAN (Papio anubis, Olive baboon), Gene C18orf63, Length 677 aa.

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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
1M32Very low68.3Low220 Ų22086.5 Ų86.5100%1.08444%0.443SS*.  0101.80-70169.4177.200104.9
2N32.6Very low70.2Confident157 Ų15779.4 Ų79.484%0.8441%0.407SS*.  trans-117.438.2-172-67.720.6000109.9S4N2-S4 PolarHBondContact O-N 2.95Å
3D44.3Very low71.4Confident131 Ų13178.8 Ų78.870%0.70141%0.409SS*.  trans-64.6106.7169.2-50.8-48.1000106.8R5D3-R5 PolarHBondContact O-N 3.23Å
4S53.8Low72.4Confident114 Ų11474.8 Ų74.880%0.79739%0.389SS*.  trans-6796.7-175.953.60000109.4N2 Q6N2-S4 PolarHBondContact O-N 2.95Å; S4-Q6 PolarHBondContact O-N 3.43Å
5R63.8Low73.4Confident101 Ų10170.9 Ų70.938%0.38137%0.37SS..  trans-57.1127.7-178.5-56.3-147.6-160.6114.9-4.1109.5D3 Q7 E157 C159D3-R5 PolarHBondContact O-N 3.23Å; R5-Q7 PolarHBondContact O-N 3Å; R5-E157 HydrophobicContact CB-CG 3.64Å; R5-E157 VanDerWaalsContact CD-OE1 3.26Å; R5-E157 WeakPolarHBondContact CD-OE1 2.91Å; R5-E157 IonicContact CZ-OE1 3.81Å; R5-E157 IonicContact NE-OE1 3.8Å; R5-E157 IonicContact NH1-OE1 3.61Å; R5-E157 PolarHBondContact NH1-OE1 3Å; R5-C159 PolarHBondContact NH1-SG 2.81Å; R5-C159 VanDerWaalsContact NH1-SG 3.44Å
6Q73.3Confident74.4Confident128 Ų12870.8 Ų70.860%0.59837%0.37SS*.  trans-70.299-169.2-173.3173.9-2.600111S4 S8 Y315S4-Q6 PolarHBondContact O-N 3.43Å; Q6-S8 PolarHBondContact O-N 2.74Å; Q6-Y315 HydrophobicContact CG-CD1 3.8Å; Q6-Y315 HydrophobicContact CG-CE1 3.85Å
7Q84.8Confident75.3Confident56 Ų5667.2 Ų67.226%0.26235%0.351SS..PPolyproline II helixtrans-65.7128174.1-67.8-172.67.400110R5 S155R5-Q7 PolarHBondContact O-N 3Å; Q7-S155 VanDerWaalsContact CD-OG 3.3Å; Q7-S155 PolarHBondContact OE1-OG 2.86Å
8S90.3Very high76.2Confident4 Ų468.6 Ų68.63%0.02836%0.359CS..EExtended strand (participates in β ladder)trans-103.7118.8176.7-61.40000109Q6 I156 L288 Y315Q6-S8 PolarHBondContact O-N 2.74Å; S8-I156 PolarHBondContact N-O 3.46Å; S8-I156 PolarHBondContact O-N 3.3Å; S8-L288 VanDerWaalsContact OG-CD1 3.31Å; S8-L288 WeakPolarHBondContact OG-CD1 3.4Å; S8-Y315 WeakPolarHBondContact OG-CE1 3.45Å
9L92.7Very high77.1Confident10 Ų1070.9 Ų70.95%0.05237%0.366CS..EExtended strand (participates in β ladder)trans-92133-178.5-53.5-178.2000110.5F11 L154 C314 L320 F439L9-F11 HydrophobicContact CB-CE2 4.27Å; L9-L154 CarbonylContact C-O 3.44Å; L9-L154 VanDerWaalsContact CA-O 3.3Å; L9-L154 WeakPolarHBondContact CA-O 3.45Å; L9-C314 WeakPolarHBondContact CA-O 3.3Å; L9-C314 HydrophobicContact CB-CB 4.17Å; L9-C314 VanDerWaalsContact CB-O 3.3Å; L9-C314 WeakPolarHBondContact CB-O 3.4Å; L9-C314 PolarHBondContact N-O 2.9Å; L9-C314 PolarHBondContact O-N 3.29Å; L9-L320 HydrophobicContact CD1-CD1 4.01Å; L9-F439 HydrophobicContact CD2-CE2 3.93Å
10F91.8Very high78.1Confident3 Ų367.7 Ų67.71%0.01335%0.349CS..EExtended strand (participates in β ladder)trans-129.1141.7174-61.7-91.8000109.9C153 L154 I156 L288 L292 I309 T310 P313F10-C153 WeakPolarHBondContact O-CA 3.4Å; F10-L154 HydrophobicContact CB-CB 4.37Å; F10-L154 HydrophobicContact CB-CD1 4.42Å; F10-L154 PolarHBondContact N-O 3.01Å; F10-L154 PolarHBondContact O-N 3Å; F10-I156 HydrophobicContact CD2-CD1 3.58Å; F10-I156 HydrophobicContact CD2-CG1 4.07Å; F10-I156 HydrophobicContact CE2-CD1 3.95Å; F10-I156 HydrophobicContact CE2-CG1 4.45Å; F10-I156 HydrophobicContact CG-CD1 4.49Å; F10-L288 HydrophobicContact CE2-CD2 4.26Å; F10-L292 HydrophobicContact CD1-CD1 3.99Å; F10-L292 HydrophobicContact CD1-CD2 4.16Å; F10-L292 HydrophobicContact CD2-CD2 4.32Å; F10-L292 HydrophobicContact CE1-CD1 3.4Å; F10-L292 HydrophobicContact CE1-CD2 4.38Å; F10-L292 HydrophobicContact CE2-CD1 4.09Å; F10-L292 HydrophobicContact CG-CD2 4.14Å; F10-L292 HydrophobicContact CZ-CD1 3.46Å; F10-L292 VanDerWaalsContact CZ-CD1 3.46Å; F10-I309 HydrophobicContact CB-CG2 4.38Å; F10-T310 WeakPolarHBondContact CA-OG1 3.34Å; F10-P313 HydrophobicContact CE1-CB 4.01Å; F10-P313 HydrophobicContact CE2-CB 4.24Å; F10-P313 HydrophobicContact CZ-CB 3.59Å; F10-P313 HydrophobicContact CZ-CG 4.45Å
11F91.7Very high78.9Confident27 Ų2764.8 Ų64.812%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-113.1138.3-177.6-62.6-92.5000110.3L9 V152 C153 I309 T310 C314L9-F11 HydrophobicContact CB-CE2 4.27Å; F11-V152 CarbonylContact C-O 3.52Å; F11-V152 WeakPolarHBondContact CA-O 2.93Å; F11-C153 HydrophobicContact CD1-CB 4.07Å; F11-C153 HydrophobicContact CE1-CB 3.9Å; F11-I309 WeakPolarHBondContact O-CA 3.49Å; F11-T310 HydrophobicContact CB-CG2 3.98Å; F11-T310 PolarHBondContact N-OG1 3Å; F11-T310 VanDerWaalsContact N-OG1 3.07Å; F11-T310 PolarHBondContact O-N 3.11Å; F11-C314 HydrophobicContact CE2-CB 4.13Å
12I91.1Very high82Confident2 Ų254.3 Ų54.31%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-114.2129.9174.1-43.4-174.2000108.9L14 F110 V152 L154 I302 I307 K308 I309I12-L14 PolarHBondContact O-N 2.78Å; I12-F110 HydrophobicContact CD1-CE2 4.13Å; I12-F110 HydrophobicContact CD1-CZ 3.91Å; I12-V152 HydrophobicContact CB-CB 4.13Å; I12-V152 HydrophobicContact CG1-CB 4.42Å; I12-V152 PolarHBondContact N-O 3.43Å; I12-V152 PolarHBondContact O-N 2.82Å; I12-L154 HydrophobicContact CD1-CD1 4.18Å; I12-L154 HydrophobicContact CD1-CD2 4.11Å; I12-L154 HydrophobicContact CD1-CG 4.28Å; I12-L154 HydrophobicContact CG1-CD1 4.49Å; I12-L154 HydrophobicContact CG1-CG 4.41Å; I12-I302 HydrophobicContact CG2-CD1 4.48Å; I12-I307 HydrophobicContact CD1-CD1 4.4Å; I12-I307 HydrophobicContact CG2-CB 3.68Å; I12-I307 HydrophobicContact CG2-CD1 3.74Å; I12-I307 HydrophobicContact CG2-CG1 4.25Å; I12-I307 HydrophobicContact CG2-CG2 4.04Å; I12-K308 WeakPolarHBondContact CA-O 3.4Å; I12-I309 HydrophobicContact CD1-CD1 4.19Å; I12-I309 HydrophobicContact CD1-CG1 4.28Å; I12-I309 HydrophobicContact CG1-CD1 4.43Å; I12-I309 HydrophobicContact CG1-CG1 4.04Å; I12-I309 HydrophobicContact CG1-CG2 4.33Å; I12-I309 HydrophobicContact CG2-CG1 4.2Å
13T86.3Confident85.1Confident71 Ų7146.9 Ų46.944%0.43624%0.243SC..EExtended strand (participates in β ladder)trans-65.1121.9168.9570000110.3K308T13-K308 HydrophobicContact CG2-CB 4.04Å; T13-K308 PolarHBondContact N-O 2.85Å; T13-K308 PolarHBondContact OG1-N 3.04Å; T13-K308 PolarHBondContact OG1-O 3.03Å
14L85.5Confident87.5Confident23 Ų2344 Ų4412%0.1222%0.223CC..PPolyproline II helixtrans-90141.1180-164.569.7000111I12 L17 L102 V147 T150 V152I12-L14 PolarHBondContact O-N 2.78Å; L14-L17 HydrophobicContact CD2-CD2 3.83Å; L14-L17 HydrophobicContact CD2-CG 4.26Å; L14-L102 HydrophobicContact CD1-CD2 3.77Å; L14-L102 HydrophobicContact CD2-CD2 3.81Å; L14-L102 HydrophobicContact CG-CD2 4.3Å; L14-V147 HydrophobicContact CD2-CG1 4.45Å; L14-T150 WeakPolarHBondContact CB-O 3.39Å; L14-V152 HydrophobicContact CD1-CG2 3.61Å
15P86.6Confident89.4Confident17 Ų1738.6 Ų38.611%0.1119%0.185CC..PPolyproline II helixtrans-65.6149.9165.428.4-35.1000111.2L17 L20 I302 F305P15-L17 PolarHBondContact O-N 3Å; P15-L17 VanDerWaalsContact O-N 3.14Å; P15-L20 HydrophobicContact CG-CD1 4.28Å; P15-I302 HydrophobicContact CG-CG2 3.98Å; P15-F305 HydrophobicContact CB-CB 3.76Å; P15-F305 HydrophobicContact CB-CD1 4.32Å; P15-F305 HydrophobicContact CB-CD2 3.7Å; P15-F305 HydrophobicContact CB-CE2 4.39Å; P15-F305 HydrophobicContact CB-CG 3.66Å; P15-F305 HydrophobicContact CG-CB 4.15Å; P15-F305 HydrophobicContact CG-CD2 4.07Å; P15-F305 HydrophobicContact CG-CG 4.31Å
16D89.5Confident90.8Very high68 Ų6836 Ų3636%0.36418%0.178SC..PPolyproline II helixtrans-50.7116.8174.716718.3000111.6N18 K19D16-N18 PolarHBondContact O-N 2.83Å; D16-N18 VanDerWaalsContact O-N 3.11Å; D16-N18 WeakPolarHBondContact OD1-CB 3.43Å; D16-N18 PolarHBondContact OD1-N 3.13Å; D16-N18 PolarHBondContact OD1-ND2 3.31Å; D16-K19 HydrophobicContact CB-CD 4.05Å; D16-K19 HydrophobicContact CB-CG 4.3Å; D16-K19 WeakPolarHBondContact O-CB 3.29Å; D16-K19 PolarHBondContact O-N 3.2Å; D16-K19 WeakPolarHBondContact OD2-CE 3.3Å; D16-K19 WeakPolarHBondContact OD2-CG 3.47Å; D16-K19 IonicContact OD2-NZ 2.67Å
17L90.7Very high91.6Very high11 Ų1130.4 Ų30.46%0.05815%0.152CC..G310 helixtrans-58-25.3-177.8-67.7-176.7000113.3L14 P15 K19 L20 V97 L102 E149L14-L17 HydrophobicContact CD2-CD2 3.83Å; L14-L17 HydrophobicContact CD2-CG 4.26Å; P15-L17 PolarHBondContact O-N 3Å; P15-L17 VanDerWaalsContact O-N 3.14Å; L17-K19 PolarHBondContact O-N 3.36Å; L17-L20 HydrophobicContact CD2-CD1 4.34Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-V97 HydrophobicContact CD2-CB 4.3Å; L17-V97 HydrophobicContact CD2-CG1 3.96Å; L17-L102 HydrophobicContact CD2-CD2 3.54Å; L17-E149 HydrophobicContact CD1-CB 4.27Å
18N91.3Very high91.6Very high92 Ų9230.2 Ų30.249%0.49216%0.157SC..G310 helixtrans-76.6-11.9179.6-49.3-69.4000112.6D16 I72 R96D16-N18 PolarHBondContact O-N 2.83Å; D16-N18 VanDerWaalsContact O-N 3.11Å; D16-N18 WeakPolarHBondContact OD1-CB 3.43Å; D16-N18 PolarHBondContact OD1-N 3.13Å; D16-N18 PolarHBondContact OD1-ND2 3.31Å; N18-I72 VanDerWaalsContact O-CD1 3.31Å; N18-I72 WeakPolarHBondContact O-CD1 3.31Å; N18-R96 PolarHBondContact OD1-NE 2.87Å; N18-R96 PolarHBondContact OD1-NH2 2.92Å
19K93.6Very high90.6Very high113 Ų11335.5 Ų35.549%0.49119%0.185SC..G310 helixtrans-90.1-5.8170.8-62.8173.4-173165.60112.7D16 L17 I72 F305D16-K19 HydrophobicContact CB-CD 4.05Å; D16-K19 HydrophobicContact CB-CG 4.3Å; D16-K19 WeakPolarHBondContact O-CB 3.29Å; D16-K19 PolarHBondContact O-N 3.2Å; D16-K19 WeakPolarHBondContact OD2-CE 3.3Å; D16-K19 WeakPolarHBondContact OD2-CG 3.47Å; D16-K19 IonicContact OD2-NZ 2.67Å; L17-K19 PolarHBondContact O-N 3.36Å; K19-I72 WeakPolarHBondContact O-CG1 3.27Å; K19-I72 PolarHBondContact O-N 3.31Å; K19-F305 HydrophobicContact CB-CZ 4.07Å
20L95.5Very high89.6Confident5 Ų543.8 Ų43.83%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-107.3156.4178.6-55.6-175.6000111.4P15 L17 V69 M70 A71 V97 C303 F305P15-L20 HydrophobicContact CG-CD1 4.28Å; L17-L20 HydrophobicContact CD2-CD1 4.34Å; L17-L20 PolarHBondContact O-N 3.07Å; L20-V69 HydrophobicContact CB-CG1 4.38Å; L20-V69 HydrophobicContact CD1-CG1 4.16Å; L20-M70 WeakPolarHBondContact CA-O 3.43Å; L20-A71 HydrophobicContact CD2-CB 4.38Å; L20-V97 HydrophobicContact CB-CB 4.46Å; L20-V97 HydrophobicContact CB-CG2 3.58Å; L20-C303 HydrophobicContact CD2-CB 3.56Å; L20-F305 HydrophobicContact CD2-CD2 4.13Å; L20-F305 HydrophobicContact CD2-CE2 3.71Å
21C96.4Very high88.7Confident8 Ų846.9 Ų46.95%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-129.8143.7167570000110.5V69 M70 I72 P94C21-V69 WeakPolarHBondContact O-CA 3.26Å; C21-M70 PolarHBondContact N-O 3.19Å; C21-M70 PolarHBondContact O-N 3.47Å; C21-M70 VanDerWaalsContact O-N 3.1Å; C21-I72 HydrophobicContact CB-CG1 4.15Å; C21-P94 HydrophobicContact CB-CB 4.13Å
22A97.1Very high88Confident0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-98141.2167.600000109.1W67 V68 V69 Q95 V97 I101A22-W67 HydrophobicContact CB-CE3 4.2Å; A22-W67 HydrophobicContact CB-CZ3 4.13Å; A22-V68 CarbonylContact C-O 3.52Å; A22-V68 WeakPolarHBondContact CA-O 3.39Å; A22-V69 HydrophobicContact CB-CG2 4.11Å; A22-Q95 HydrophobicContact CB-CG 4.13Å; A22-Q95 PolarHBondContact N-O 3.47Å; A22-Q95 VanDerWaalsContact O-CG 3.31Å; A22-Q95 WeakPolarHBondContact O-CG 3.31Å; A22-Q95 PolarHBondContact O-N 2.93Å; A22-V97 HydrophobicContact CB-CG2 4.12Å; A22-I101 HydrophobicContact CB-CD1 4.39Å; A22-I101 HydrophobicContact CB-CG2 4.09Å
23V96.3Very high87.2Confident0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-138.4138-177.7-175.10000108.4V68 M70 Y75 M91 P94V23-V68 PolarHBondContact N-O 2.9Å; V23-V68 PolarHBondContact O-N 2.69Å; V23-M70 HydrophobicContact CB-CE 4.08Å; V23-M70 HydrophobicContact CG2-CE 3.75Å; V23-Y75 HydrophobicContact CG2-CD2 3.99Å; V23-Y75 HydrophobicContact CG2-CE2 4.16Å; V23-M91 HydrophobicContact CG1-CG 3.3Å; V23-M91 HydrophobicContact CG1-SD 3.8Å; V23-P94 HydrophobicContact CG2-CB 4.15Å
24R95.2Very high86.6Confident72 Ų7253.5 Ų53.527%0.27229%0.285SS..EExtended strand (participates in β ladder)trans-91.8140.4167.6-59.3-158.3-169.5104-7.1111.1Q65 I66 W67 E92R24-Q65 VanDerWaalsContact CD-OE1 3.3Å; R24-I66 CarbonylContact C-O 3.56Å; R24-I66 WeakPolarHBondContact CA-O 3.33Å; R24-W67 HydrophobicContact CB-CZ3 4.5Å; R24-W67 HydrophobicContact CG-CD2 4.21Å; R24-W67 HydrophobicContact CG-CE3 3.71Å; R24-W67 HydrophobicContact CG-CH2 3.53Å; R24-W67 HydrophobicContact CG-CZ2 4.08Å; R24-W67 HydrophobicContact CG-CZ3 3.34Å; R24-W67 VanDerWaalsContact NE-CH2 3.28Å; R24-W67 VanDerWaalsContact NE-CZ2 3.3Å; R24-E92 HydrophobicContact CB-CB 4.14Å; R24-E92 HydrophobicContact CB-CG 3.98Å; R24-E92 VanDerWaalsContact CB-OE2 3.28Å; R24-E92 WeakPolarHBondContact CB-OE2 3.3Å; R24-E92 WeakPolarHBondContact CD-OE2 3.4Å; R24-E92 VanDerWaalsContact CG-OE2 3.27Å; R24-E92 WeakPolarHBondContact CG-OE2 3.42Å; R24-E92 IonicContact CZ-OE2 2.69Å; R24-E92 IonicContact NE-OE2 3.68Å; R24-E92 IonicContact NH1-OE1 2.77Å; R24-E92 IonicContact NH1-OE2 3.81Å; R24-E92 PolarHBondContact NH1-OE2 3.03Å; R24-E92 PolarHBondContact O-N 2.89Å
25I94.8Very high86.5Confident0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-107.5125.8162.6-61.9163.8000107.3M43 L47 Q65 I66 V68 V84 A89 K90 M91I25-M43 HydrophobicContact CG2-CE 4.19Å; I25-M43 HydrophobicContact CG2-SD 4.44Å; I25-L47 HydrophobicContact CD1-CD1 3.97Å; I25-Q65 CarbonylContact O-C 3.56Å; I25-Q65 WeakPolarHBondContact O-CA 3.2Å; I25-I66 HydrophobicContact CB-CB 4.28Å; I25-I66 PolarHBondContact N-O 3.23Å; I25-I66 PolarHBondContact O-N 3.01Å; I25-V68 HydrophobicContact CD1-CG2 3.55Å; I25-V68 HydrophobicContact CG1-CG2 4.32Å; I25-V84 HydrophobicContact CD1-CG2 3.61Å; I25-V84 HydrophobicContact CG1-CG2 3.97Å; I25-V84 HydrophobicContact CG2-CG1 3.95Å; I25-V84 HydrophobicContact CG2-CG2 4.2Å; I25-A89 HydrophobicContact CG2-CB 3.82Å; I25-K90 CarbonylContact C-O 3.55Å; I25-K90 WeakPolarHBondContact CA-O 3.37Å; I25-M91 HydrophobicContact CD1-CE 4.34Å; I25-M91 HydrophobicContact CG1-CE 4.1Å
26I93.3Very high86.4Confident46 Ų4656.3 Ų56.324%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-105.1118.4177.9-56-178.4000108.9N64 Q65 A89 K90 E92I26-N64 CarbonylContact C-O 3.53Å; I26-N64 WeakPolarHBondContact CA-O 3.33Å; I26-Q65 HydrophobicContact CG1-CG 4.33Å; I26-A89 CarbonylContact O-C 3.53Å; I26-A89 VanDerWaalsContact O-CA 3.23Å; I26-A89 WeakPolarHBondContact O-CA 3.47Å; I26-A89 WeakPolarHBondContact O-CB 3.28Å; I26-K90 PolarHBondContact N-O 3.35Å; I26-K90 PolarHBondContact O-N 3.14Å; I26-E92 HydrophobicContact CD1-CG 3.81Å; I26-E92 HydrophobicContact CG1-CG 4.2Å
27L89.7Confident86.3Confident11 Ų1160.1 Ų60.16%0.05831%0.305CS..  trans-76.4145.3173.4-50.9177.3000110.3I39 Q40 M43 N64 I66 A89L27-I39 HydrophobicContact CD1-CG2 4.35Å; L27-Q40 HydrophobicContact CD1-CB 3.71Å; L27-Q40 HydrophobicContact CD1-CG 4.24Å; L27-M43 HydrophobicContact CD2-SD 3.56Å; L27-M43 VanDerWaalsContact CD2-SD 3.56Å; L27-N64 HydrophobicContact CB-CB 4.2Å; L27-N64 PolarHBondContact N-O 2.82Å; L27-I66 HydrophobicContact CD2-CD1 4.28Å; L27-A89 HydrophobicContact CD2-CB 3.98Å
28S83.9Confident86.2Confident51 Ų5161.3 Ų61.336%0.35731%0.313SS..  trans-73.8131.2176.1450000111.8K30 G88S28-K30 PolarHBondContact O-N 3.02Å; S28-G88 VanDerWaalsContact CB-O 3.32Å; S28-G88 WeakPolarHBondContact CB-O 3.32Å; S28-G88 PolarHBondContact OG-O 2.99Å
29N70.4Confident86.1Confident116 Ų11660 Ų6062%0.6231%0.305SS*.  trans-81.753.9-172.5-162.339.7000112.6I36N29-I36 WeakPolarHBondContact OD1-CD1 3.34Å
30K71.3Confident86.1Confident184 Ų18455 Ų5580%0.828%0.283SS*.  trans-100.94.5-171.3-70.3-169.3174.8-170.50115S28S28-K30 PolarHBondContact O-N 3.02Å
31V72.9Confident85.9Confident67 Ų6756.5 Ų56.541%0.40629%0.291SS..SBendtrans-146.2168.5-169.9-96.70000109.7E35 I36 I39V31-E35 HydrophobicContact CB-CB 4.31Å; V31-E35 WeakPolarHBondContact CG1-OE2 3.5Å; V31-I36 HydrophobicContact CB-CG1 4.42Å; V31-I36 HydrophobicContact CG2-CD1 4.48Å; V31-I36 HydrophobicContact CG2-CG1 3.75Å; V31-I36 WeakPolarHBondContact O-CD1 3.26Å; V31-I39 HydrophobicContact CG2-CD1 4.09Å
32A76.1Confident85.7Confident58 Ų5859.4 Ų59.448%0.47930%0.302SS..  trans-67.1148.8-177.300000112.4T34 E35 I36A32-T34 PolarHBondContact O-N 3.24Å; A32-E35 WeakPolarHBondContact O-CA 3.49Å; A32-E35 WeakPolarHBondContact O-CB 3.44Å; A32-E35 PolarHBondContact O-N 2.92Å; A32-I36 PolarHBondContact O-N 3.17Å
33D74.6Confident85.5Confident102 Ų10259.4 Ų59.455%0.54530%0.302SS..Hα-helixtrans-46.8-39.1-178.2-79.5-12000115E35 R37 L63D33-E35 VanDerWaalsContact C-N 3.34Å; D33-R37 WeakPolarHBondContact O-CB 3.37Å; D33-R37 PolarHBondContact O-N 3.3Å; D33-L63 HydrophobicContact CB-CD1 3.62Å
34T74.1Confident85.3Confident80 Ų8059.4 Ų59.449%0.49130%0.302SS..Hα-helixtrans-67.4-35.6179-61.80000111.8A32 T38A32-T34 PolarHBondContact O-N 3.24Å; T34-T38 WeakPolarHBondContact O-CB 3.39Å; T34-T38 PolarHBondContact O-N 2.81Å; T34-T38 PolarHBondContact O-OG1 2.86Å
35E82.7Confident85.3Confident97 Ų9756.7 Ų56.745%0.45329%0.292SS..Hα-helixtrans-77.9-42.5177.9-61175.2164.200110.4V31 A32 D33 R37 T38 I39V31-E35 HydrophobicContact CB-CB 4.31Å; V31-E35 WeakPolarHBondContact CG1-OE2 3.5Å; A32-E35 WeakPolarHBondContact O-CA 3.49Å; A32-E35 WeakPolarHBondContact O-CB 3.44Å; A32-E35 PolarHBondContact O-N 2.92Å; D33-E35 VanDerWaalsContact C-N 3.34Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 3.09Å; E35-T38 CarbonylContact O-C 3.51Å; E35-T38 WeakPolarHBondContact O-CA 3.39Å; E35-T38 WeakPolarHBondContact O-CB 3.19Å; E35-T38 PolarHBondContact O-N 3.3Å; E35-I39 VanDerWaalsContact O-CG1 3.31Å; E35-I39 WeakPolarHBondContact O-CG1 3.17Å; E35-I39 PolarHBondContact O-N 3.12Å
36I86.1Confident85.3Confident2 Ų260.4 Ų60.41%0.0131%0.31CS..Hα-helixtrans-54.8-49.7172.2-68.7178.3000110.4N29 V31 A32 T38 I39 Q40 L63 N64N29-I36 WeakPolarHBondContact OD1-CD1 3.34Å; V31-I36 HydrophobicContact CB-CG1 4.42Å; V31-I36 HydrophobicContact CG2-CD1 4.48Å; V31-I36 HydrophobicContact CG2-CG1 3.75Å; V31-I36 WeakPolarHBondContact O-CD1 3.26Å; A32-I36 PolarHBondContact O-N 3.17Å; I36-T38 VanDerWaalsContact C-N 3.25Å; I36-T38 PolarHBondContact O-N 2.91Å; I36-I39 PolarHBondContact O-N 2.9Å; I36-I39 VanDerWaalsContact O-N 3.17Å; I36-Q40 WeakPolarHBondContact O-CB 3.45Å; I36-Q40 PolarHBondContact O-N 3.05Å; I36-L63 HydrophobicContact CG2-CB 4.17Å; I36-L63 WeakPolarHBondContact CG2-O 3.37Å; I36-N64 HydrophobicContact CG2-CB 4.03Å
37R86.9Confident85.3Confident148 Ų14858.2 Ų58.256%0.55830%0.298SS*.Hα-helixtrans-60.9-34.6176.4-169.3179-174.5135.67.6112.7D33 E35 M41 L63D33-R37 WeakPolarHBondContact O-CB 3.37Å; D33-R37 PolarHBondContact O-N 3.3Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 3.09Å; R37-M41 WeakPolarHBondContact O-CB 3.14Å; R37-M41 VanDerWaalsContact O-CG 3.3Å; R37-M41 WeakPolarHBondContact O-CG 3.13Å; R37-M41 PolarHBondContact O-N 2.89Å; R37-L63 HydrophobicContact CB-CD2 4.3Å; R37-L63 HydrophobicContact CG-CD2 4.24Å
38T88.6Confident85.6Confident35 Ų3557.8 Ų57.822%0.21530%0.296CS..Hα-helixtrans-69.5-40.5176.5-60.50000111.3T34 E35 I36 K42 L236T34-T38 WeakPolarHBondContact O-CB 3.39Å; T34-T38 PolarHBondContact O-N 2.81Å; T34-T38 PolarHBondContact O-OG1 2.86Å; E35-T38 CarbonylContact O-C 3.51Å; E35-T38 WeakPolarHBondContact O-CA 3.39Å; E35-T38 WeakPolarHBondContact O-CB 3.19Å; E35-T38 PolarHBondContact O-N 3.3Å; I36-T38 VanDerWaalsContact C-N 3.25Å; I36-T38 PolarHBondContact O-N 2.91Å; T38-K42 HydrophobicContact CG2-CD 4.44Å; T38-K42 VanDerWaalsContact O-CG 3.3Å; T38-K42 WeakPolarHBondContact O-CG 3.27Å; T38-K42 PolarHBondContact O-N 3.07Å; T38-K42 VanDerWaalsContact O-N 3.11Å; T38-L236 HydrophobicContact CG2-CD1 3.99Å; T38-L236 HydrophobicContact CG2-CD2 4.48Å
39I89.6Confident86Confident66 Ų6660.8 Ų60.834%0.33830%0.303SS..Hα-helixtrans-66.4-46.8174.6-66.4161.3000110.2L27 V31 E35 I36 M41 K42 M43L27-I39 HydrophobicContact CD1-CG2 4.35Å; V31-I39 HydrophobicContact CG2-CD1 4.09Å; E35-I39 VanDerWaalsContact O-CG1 3.31Å; E35-I39 WeakPolarHBondContact O-CG1 3.17Å; E35-I39 PolarHBondContact O-N 3.12Å; I36-I39 PolarHBondContact O-N 2.9Å; I36-I39 VanDerWaalsContact O-N 3.17Å; I39-M41 PolarHBondContact O-N 2.96Å; I39-K42 PolarHBondContact O-N 2.99Å; I39-M43 WeakPolarHBondContact O-CB 3.42Å; I39-M43 PolarHBondContact O-N 3.46Å
40Q91.7Very high87.1Confident6 Ų659.7 Ų59.73%0.02830%0.297CS..Hα-helixtrans-52.4-53.3175.4-173-161.837.200111.3L27 I36 K42 M43 C44 P58 I62 L63 Q65 I66L27-Q40 HydrophobicContact CD1-CB 3.71Å; L27-Q40 HydrophobicContact CD1-CG 4.24Å; I36-Q40 WeakPolarHBondContact O-CB 3.45Å; I36-Q40 PolarHBondContact O-N 3.05Å; Q40-K42 PolarHBondContact O-N 3.06Å; Q40-M43 PolarHBondContact O-N 3.03Å; Q40-C44 WeakPolarHBondContact O-CB 3.2Å; Q40-C44 PolarHBondContact O-N 2.77Å; Q40-C44 PolarHBondContact O-SG 2.86Å; Q40-P58 VanDerWaalsContact CD-CB 3.46Å; Q40-P58 HydrophobicContact CG-CB 3.93Å; Q40-I62 PolarHBondContact NE2-O 2.95Å; Q40-L63 WeakPolarHBondContact CG-O 3.43Å; Q40-L63 PolarHBondContact NE2-O 2.88Å; Q40-L63 PolarHBondContact OE1-O 3.4Å; Q40-Q65 PolarHBondContact NE2-O 2.97Å; Q40-I66 HydrophobicContact CG-CD1 4.31Å; Q40-I66 HydrophobicContact CG-CG1 3.84Å
41M91.6Very high88.1Confident38 Ų3852.5 Ų52.519%0.18727%0.266CS..Hα-helixtrans-61.5-42.9178.7-75.5-71.1-64.700112.9R37 I39 R45 P58 Y108 L236 Y237R37-M41 WeakPolarHBondContact O-CB 3.14Å; R37-M41 VanDerWaalsContact O-CG 3.3Å; R37-M41 WeakPolarHBondContact O-CG 3.13Å; R37-M41 PolarHBondContact O-N 2.89Å; I39-M41 PolarHBondContact O-N 2.96Å; M41-R45 PolarHBondContact O-N 2.82Å; M41-R45 VanDerWaalsContact O-N 3.11Å; M41-P58 HydrophobicContact SD-CG 4.1Å; M41-Y108 HydrophobicContact CE-CE2 4.06Å; M41-Y108 PolarHBondContact O-OH 3.46Å; M41-Y108 HydrophobicContact SD-CE2 4.01Å; M41-L236 HydrophobicContact CB-CD2 4.44Å; M41-L236 HydrophobicContact CB-CG 4.12Å; M41-Y237 HydrophobicContact CE-CD1 4.41Å; M41-Y237 HydrophobicContact CE-CE1 4.24Å
42K92.4Very high88.9Confident68 Ų6855.2 Ų55.230%0.29627%0.274SS..Hα-helixtrans-62.8-47.9176.1-75174178.2-179.70111.7T38 I39 Q40 R45 Q46 A235 L236T38-K42 HydrophobicContact CG2-CD 4.44Å; T38-K42 VanDerWaalsContact O-CG 3.3Å; T38-K42 WeakPolarHBondContact O-CG 3.27Å; T38-K42 PolarHBondContact O-N 3.07Å; T38-K42 VanDerWaalsContact O-N 3.11Å; I39-K42 PolarHBondContact O-N 2.99Å; Q40-K42 PolarHBondContact O-N 3.06Å; K42-R45 PolarHBondContact O-N 2.83Å; K42-Q46 WeakPolarHBondContact O-CB 3.37Å; K42-Q46 VanDerWaalsContact O-CG 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.49Å; K42-Q46 PolarHBondContact O-N 2.85Å; K42-A235 HydrophobicContact CG-CB 4.29Å; K42-L236 HydrophobicContact CD-CD1 4.03Å; K42-L236 HydrophobicContact CG-CD1 3.51Å; K42-L236 HydrophobicContact CG-CG 4.44Å
43M92.6Very high89.6Confident0 Ų055.2 Ų55.20%027%0.266CS..Hα-helixtrans-64.7-43.5-178.7-166.1-175.5-171.900111.3I25 L27 I39 Q40 R45 Q46 L47 I66 Y83 V84 Y87I25-M43 HydrophobicContact CG2-CE 4.19Å; I25-M43 HydrophobicContact CG2-SD 4.44Å; L27-M43 HydrophobicContact CD2-SD 3.56Å; L27-M43 VanDerWaalsContact CD2-SD 3.56Å; I39-M43 WeakPolarHBondContact O-CB 3.42Å; I39-M43 PolarHBondContact O-N 3.46Å; Q40-M43 PolarHBondContact O-N 3.03Å; M43-R45 VanDerWaalsContact C-N 3.34Å; M43-R45 PolarHBondContact O-N 3.04Å; M43-Q46 PolarHBondContact O-N 2.94Å; M43-L47 HydrophobicContact CG-CD1 4.17Å; M43-L47 HydrophobicContact CG-CG 4.47Å; M43-L47 WeakPolarHBondContact O-CB 3.28Å; M43-L47 VanDerWaalsContact O-CG 3.27Å; M43-L47 WeakPolarHBondContact O-CG 3.41Å; M43-L47 PolarHBondContact O-N 3.41Å; M43-I66 HydrophobicContact CB-CD1 3.91Å; M43-I66 HydrophobicContact CG-CD1 4.1Å; M43-I66 HydrophobicContact SD-CD1 3.86Å; M43-Y83 HydrophobicContact CE-CD1 3.87Å; M43-Y83 HydrophobicContact CE-CE1 3.63Å; M43-Y83 HydrophobicContact CG-CE1 3.81Å; M43-V84 HydrophobicContact CE-CB 4.49Å; M43-V84 HydrophobicContact CE-CG2 3.99Å; M43-Y87 HydrophobicContact CE-CD2 4.43Å; M43-Y87 HydrophobicContact CE-CG 4.28Å; M43-Y87 HydrophobicContact SD-CG 4.48Å
44C94Very high90.6Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-54.4-47.9172.1-720000112.2Q40 L48 I66 Y108Q40-C44 WeakPolarHBondContact O-CB 3.2Å; Q40-C44 PolarHBondContact O-N 2.77Å; Q40-C44 PolarHBondContact O-SG 2.86Å; C44-L48 WeakPolarHBondContact O-CG 3.44Å; C44-I66 VanDerWaalsContact SG-CG1 3.56Å; C44-I66 VanDerWaalsContact SG-CG2 3.5Å; C44-Y108 HydrophobicContact CB-CE1 3.62Å; C44-Y108 WeakPolarHBondContact CB-OH 3.45Å
45R94.9Very high91.7Very high16 Ų1646.6 Ų46.66%0.0622%0.217CC..Hα-helixtrans-67.8-45.2179.6-169.6171.5175.269.215.1111.3M41 K42 M43 L48 F49 Y108 A112 D234 A235M41-R45 PolarHBondContact O-N 2.82Å; M41-R45 VanDerWaalsContact O-N 3.11Å; K42-R45 PolarHBondContact O-N 2.83Å; M43-R45 VanDerWaalsContact C-N 3.34Å; M43-R45 PolarHBondContact O-N 3.04Å; R45-L48 PolarHBondContact O-N 3.43Å; R45-F49 HydrophobicContact CG-CD2 4.09Å; R45-F49 HydrophobicContact CG-CE2 3.83Å; R45-F49 VanDerWaalsContact O-CD2 3.24Å; R45-F49 WeakPolarHBondContact O-CD2 3.49Å; R45-F49 PolarHBondContact O-N 3.38Å; R45-Y108 PolarHBondContact N-OH 3.1Å; R45-A112 PolarHBondContact NH1-O 2.92Å; R45-A112 PolarHBondContact NH2-O 2.93Å; R45-D234 PolarHBondContact NE-O 3.11Å; R45-A235 WeakPolarHBondContact CD-O 3.45Å
46Q93.8Very high92.3Very high78 Ų7842 Ų4236%0.36420%0.195SC..Hα-helixtrans-62.6-43.3-179.4-75.2176.3-36.600112.7K42 M43 L48 F49 L50 Y83 Y87K42-Q46 WeakPolarHBondContact O-CB 3.37Å; K42-Q46 VanDerWaalsContact O-CG 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.49Å; K42-Q46 PolarHBondContact O-N 2.85Å; M43-Q46 PolarHBondContact O-N 2.94Å; Q46-L48 VanDerWaalsContact C-N 3.28Å; Q46-L48 PolarHBondContact O-N 2.77Å; Q46-F49 PolarHBondContact O-N 2.93Å; Q46-F49 VanDerWaalsContact O-N 3.16Å; Q46-L50 WeakPolarHBondContact O-CB 3.26Å; Q46-L50 PolarHBondContact O-N 2.83Å; Q46-Y83 VanDerWaalsContact CB-OH 3.28Å; Q46-Y83 WeakPolarHBondContact CB-OH 3.47Å; Q46-Y83 PolarHBondContact OE1-OH 3.27Å; Q46-Y87 PolarHBondContact OE1-OH 2.79Å
47L94.4Very high92.8Very high0 Ų042 Ų420%020%0.196CC..Hα-helixtrans-53.2-43.9175.2-80.7168000112.2I25 M43 F49 L50 H51 I54 V68 L80 Y83I25-L47 HydrophobicContact CD1-CD1 3.97Å; M43-L47 HydrophobicContact CG-CD1 4.17Å; M43-L47 HydrophobicContact CG-CG 4.47Å; M43-L47 WeakPolarHBondContact O-CB 3.28Å; M43-L47 VanDerWaalsContact O-CG 3.27Å; M43-L47 WeakPolarHBondContact O-CG 3.41Å; M43-L47 PolarHBondContact O-N 3.41Å; L47-F49 VanDerWaalsContact C-N 3.33Å; L47-F49 PolarHBondContact O-N 3.23Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-H51 PolarHBondContact O-N 3.02Å; L47-I54 HydrophobicContact CB-CD1 4.03Å; L47-I54 HydrophobicContact CD2-CD1 4.3Å; L47-V68 HydrophobicContact CD1-CG2 4.28Å; L47-L80 HydrophobicContact CD2-CD2 3.97Å; L47-Y83 HydrophobicContact CD2-CD1 3.57Å; L47-Y83 HydrophobicContact CD2-CE1 3.58Å; L47-Y83 HydrophobicContact CG-CD1 4.25Å; L47-Y83 HydrophobicContact CG-CE1 3.75Å
48L94.6Very high93.2Very high2 Ų236.2 Ų36.21%0.0118%0.177CC..Hα-helixtrans-69.7-23.3-178.8-69.8171.8000115.2C44 R45 Q46 I54 A56 Y108 S109 A112C44-L48 WeakPolarHBondContact O-CG 3.44Å; R45-L48 PolarHBondContact O-N 3.43Å; Q46-L48 VanDerWaalsContact C-N 3.28Å; Q46-L48 PolarHBondContact O-N 2.77Å; L48-I54 WeakPolarHBondContact CD2-O 3.31Å; L48-A56 HydrophobicContact CD2-CB 4.1Å; L48-A56 HydrophobicContact CG-CB 4.13Å; L48-Y108 HydrophobicContact CD1-CD1 3.83Å; L48-Y108 HydrophobicContact CD1-CE1 3.74Å; L48-S109 WeakPolarHBondContact CD2-OG 3.37Å; L48-A112 HydrophobicContact CD1-CB 3.69Å
49F92.4Very high93.3Very high113 Ų11335.6 Ų35.650%0.49617%0.173SC..Hα-helixtrans-95.3-24.1175.4-72.4-71.6000112.5R45 Q46 L47 A112R45-F49 HydrophobicContact CG-CD2 4.09Å; R45-F49 HydrophobicContact CG-CE2 3.83Å; R45-F49 VanDerWaalsContact O-CD2 3.24Å; R45-F49 WeakPolarHBondContact O-CD2 3.49Å; R45-F49 PolarHBondContact O-N 3.38Å; Q46-F49 PolarHBondContact O-N 2.93Å; Q46-F49 VanDerWaalsContact O-N 3.16Å; L47-F49 VanDerWaalsContact C-N 3.33Å; L47-F49 PolarHBondContact O-N 3.23Å; F49-A112 WeakPolarHBondContact CZ-O 3.37Å
50L93.3Very high93.1Very high94 Ų9437 Ų3749%0.49219%0.189SC..Hα-helixtrans-73.5-33.8171.4-172.564.2000112Q46 L47 Y83Q46-L50 WeakPolarHBondContact O-CB 3.26Å; Q46-L50 PolarHBondContact O-N 2.83Å; L47-L50 PolarHBondContact O-N 2.87Å; L50-Y83 HydrophobicContact CD2-CD2 3.65Å; L50-Y83 HydrophobicContact CD2-CE2 4.06Å; L50-Y83 HydrophobicContact CD2-CG 4.13Å
51H92.3Very high92.6Very high33 Ų3340.7 Ų40.715%0.15323%0.228CC..  trans-136113.6-178.3-57.1-54.6000111.7L47 D53 I54 F74 L80L47-H51 PolarHBondContact O-N 3.02Å; H51-D53 PolarHBondContact O-N 2.93Å; H51-I54 HydrophobicContact CB-CD1 3.9Å; H51-I54 HydrophobicContact CB-CG1 3.98Å; H51-I54 HydrophobicContact CB-CG2 4.31Å; H51-F74 HydrophobicContact CB-CE2 4.45Å; H51-F74 HydrophobicContact CB-CZ 3.92Å; H51-F74 AromaticContact CG-CZ 3.73Å; H51-F74 AromaticContact ND1-CZ 3.96Å; H51-L80 WeakPolarHBondContact CD2-CD2 3.45Å
52Q89.9Confident92.3Very high124 Ų12442 Ų4258%0.57924%0.236SC*.THydrogen-bonded Turntrans-72.4-20.1177-59.5-170.519.900112.6I54 R113Q52-I54 VanDerWaalsContact C-N 3.33Å; Q52-I54 PolarHBondContact O-N 3.33Å; Q52-R113 PolarHBondContact O-NH1 2.82Å; Q52-R113 VanDerWaalsContact O-NH1 3.13Å; Q52-R113 PolarHBondContact O-NH2 2.88Å
53D91.7Very high91.9Very high58 Ų5841 Ų4131%0.3123%0.233SC..THydrogen-bonded Turntrans-89.614.1-176.3-47.7-53.3000114.4H51 F74 C303 G304H51-D53 PolarHBondContact O-N 2.93Å; D53-F74 HydrophobicContact CB-CD2 3.96Å; D53-F74 HydrophobicContact CB-CE2 4.04Å; D53-C303 CarbonylContact O-C 3.55Å; D53-C303 VanDerWaalsContact O-CA 3.26Å; D53-C303 WeakPolarHBondContact O-CA 3.48Å; D53-G304 WeakPolarHBondContact OD1-CA 3.33Å
54I95.1Very high91.7Very high0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-127.2149.1173.673.4-176.4000111.6L47 L48 H51 Q52 V68 V69 M70 F74 L80 R113L47-I54 HydrophobicContact CB-CD1 4.03Å; L47-I54 HydrophobicContact CD2-CD1 4.3Å; L48-I54 WeakPolarHBondContact CD2-O 3.31Å; H51-I54 HydrophobicContact CB-CD1 3.9Å; H51-I54 HydrophobicContact CB-CG1 3.98Å; H51-I54 HydrophobicContact CB-CG2 4.31Å; Q52-I54 VanDerWaalsContact C-N 3.33Å; Q52-I54 PolarHBondContact O-N 3.33Å; I54-V68 HydrophobicContact CB-CG1 3.89Å; I54-V68 HydrophobicContact CD1-CG1 3.91Å; I54-V68 HydrophobicContact CG1-CG1 4.23Å; I54-V68 HydrophobicContact CG2-CG1 4.39Å; I54-V69 WeakPolarHBondContact CA-O 3.31Å; I54-M70 HydrophobicContact CB-CB 4.47Å; I54-M70 HydrophobicContact CG2-CB 3.78Å; I54-F74 HydrophobicContact CG2-CD1 3.9Å; I54-F74 HydrophobicContact CG2-CE1 3.46Å; I54-F74 VanDerWaalsContact CG2-CE1 3.46Å; I54-F74 HydrophobicContact CG2-CE2 4.39Å; I54-F74 HydrophobicContact CG2-CZ 3.75Å; I54-L80 HydrophobicContact CD1-CD2 4.09Å; I54-R113 PolarHBondContact O-NH2 3Å
55L96.5Very high91.7Very high1 Ų144.3 Ų44.31%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-106.1148.3163.3-56.4172.5000108.6V68 V69 L102 C105 L106 S109 I302L55-V68 CarbonylContact O-C 3.48Å; L55-V68 VanDerWaalsContact O-CA 3.31Å; L55-V68 WeakPolarHBondContact O-CA 3.44Å; L55-V68 WeakPolarHBondContact O-CG1 3.41Å; L55-V69 HydrophobicContact CB-CB 4.45Å; L55-V69 PolarHBondContact N-O 3.39Å; L55-V69 PolarHBondContact O-N 3.27Å; L55-L102 HydrophobicContact CD1-CD1 3.6Å; L55-C105 HydrophobicContact CB-CB 3.84Å; L55-L106 HydrophobicContact CD1-CD2 3.46Å; L55-L106 VanDerWaalsContact CD1-CD2 3.46Å; L55-L106 HydrophobicContact CD1-CG 3.8Å; L55-L106 HydrophobicContact CD2-CD2 4.08Å; L55-L106 HydrophobicContact CG-CD2 4.43Å; L55-S109 WeakPolarHBondContact CA-OG 3.2Å; L55-I302 HydrophobicContact CD1-CG2 4.09Å
56A96.9Very high91.7Very high0 Ų043.6 Ų43.60%025%0.247CC..EExtended strand (participates in β ladder)trans-142.2155179.200000111.4L48 W67 V68 Y108 S109L48-A56 HydrophobicContact CD2-CB 4.1Å; L48-A56 HydrophobicContact CG-CB 4.13Å; A56-W67 CarbonylContact C-O 3.59Å; A56-W67 WeakPolarHBondContact CA-O 3.43Å; A56-V68 HydrophobicContact CB-CG2 4.43Å; A56-Y108 VanDerWaalsContact O-CD1 3.23Å; A56-Y108 WeakPolarHBondContact O-CD1 3.31Å; A56-S109 PolarHBondContact N-OG 2.89Å; A56-S109 PolarHBondContact O-OG 2.8Å
57S96.6Very high91.9Very high3 Ų340.8 Ų40.82%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-153.4147.2165.555.70000112I66 W67 N104 C105S57-I66 WeakPolarHBondContact O-CA 3.46Å; S57-W67 PolarHBondContact N-O 3.16Å; S57-W67 PolarHBondContact O-N 3.43Å; S57-N104 WeakPolarHBondContact CB-O 3.49Å; S57-C105 PolarHBondContact OG-N 3.42Å; S57-C105 PolarHBondContact OG-SG 3.36Å
58P95Very high92Very high26 Ų2640.8 Ų40.817%0.16923%0.233CC..EExtended strand (participates in β ladder)trans-63.8137.8165.129.5-33.8000109Q40 M41 S60 Y108Q40-P58 VanDerWaalsContact CD-CB 3.46Å; Q40-P58 HydrophobicContact CG-CB 3.93Å; M41-P58 HydrophobicContact SD-CG 4.1Å; P58-S60 PolarHBondContact O-N 3.43Å; P58-Y108 VanDerWaalsContact CD-CD2 3.47Å; P58-Y108 HydrophobicContact CG-CD2 4.1Å; P58-Y108 HydrophobicContact CG-CE2 4.13Å
59V91.1Very high92.1Very high21 Ų2140.7 Ų40.713%0.12723%0.233CC..PPolyproline II helixtrans-68.9124.7-179.9179.20000109.8G61 I62 Q65 W67V59-G61 PolarHBondContact O-N 2.96Å; V59-I62 HydrophobicContact CB-CB 4.18Å; V59-I62 HydrophobicContact CG1-CB 4.01Å; V59-I62 HydrophobicContact CG1-CD1 3.95Å; V59-I62 HydrophobicContact CG1-CG1 4.03Å; V59-I62 PolarHBondContact O-N 2.88Å; V59-I62 VanDerWaalsContact O-N 3.09Å; V59-I62 VanDerWaalsContact O-O 3.12Å; V59-Q65 HydrophobicContact CB-CB 3.91Å; V59-Q65 HydrophobicContact CG2-CB 3.54Å; V59-Q65 PolarHBondContact N-O 2.82Å; V59-W67 HydrophobicContact CG2-CG 4.14Å
60S83.5Confident92.3Very high96 Ų9635.3 Ų35.367%0.67121%0.209SC*.THydrogen-bonded Turntrans-57.1120.7178.5-64.40000111.3P58 I62P58-S60 PolarHBondContact O-N 3.43Å; S60-I62 VanDerWaalsContact C-N 3.32Å; S60-I62 PolarHBondContact O-N 3.28Å
61G81.9Confident92.4Very high83 Ų8331.4 Ų31.486%0.85619%0.19SC*.THydrogen-bonded Turntrans85.9-14-179.800000115.6V59V59-G61 PolarHBondContact O-N 2.96Å
62I86.4Confident92.6Very high67 Ų6732.5 Ų32.534%0.34420%0.197SC..  trans-116.1114-176.3-51.5-176.9000109.8Q40 V59 S60 N64 Q65Q40-I62 PolarHBondContact NE2-O 2.95Å; V59-I62 HydrophobicContact CB-CB 4.18Å; V59-I62 HydrophobicContact CG1-CB 4.01Å; V59-I62 HydrophobicContact CG1-CD1 3.95Å; V59-I62 HydrophobicContact CG1-CG1 4.03Å; V59-I62 PolarHBondContact O-N 2.88Å; V59-I62 VanDerWaalsContact O-N 3.09Å; V59-I62 VanDerWaalsContact O-O 3.12Å; S60-I62 VanDerWaalsContact C-N 3.32Å; S60-I62 PolarHBondContact O-N 3.28Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.49Å; I62-N64 PolarHBondContact O-N 3.44Å; I62-Q65 HydrophobicContact CB-CB 4.4Å; I62-Q65 HydrophobicContact CG2-CB 3.94Å; I62-Q65 HydrophobicContact CG2-CG 3.67Å
63L82.9Confident92.8Very high46 Ų4631 Ų3124%0.24120%0.198CC..THydrogen-bonded Turntrans-73-28.9-169.8-57.4-176.9000113.9D33 I36 R37 Q40D33-L63 HydrophobicContact CB-CD1 3.62Å; I36-L63 HydrophobicContact CG2-CB 4.17Å; I36-L63 WeakPolarHBondContact CG2-O 3.37Å; R37-L63 HydrophobicContact CB-CD2 4.3Å; R37-L63 HydrophobicContact CG-CD2 4.24Å; Q40-L63 WeakPolarHBondContact CG-O 3.43Å; Q40-L63 PolarHBondContact NE2-O 2.88Å; Q40-L63 PolarHBondContact OE1-O 3.4Å
64N88.5Confident93Very high40 Ų4029.2 Ų29.221%0.21419%0.187CC..THydrogen-bonded Turntrans-101.99.7-174.675-32.2000114.3I26 L27 I36 I62I26-N64 CarbonylContact C-O 3.53Å; I26-N64 WeakPolarHBondContact CA-O 3.33Å; L27-N64 HydrophobicContact CB-CB 4.2Å; L27-N64 PolarHBondContact N-O 2.82Å; I36-N64 HydrophobicContact CG2-CB 4.03Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.49Å; I62-N64 PolarHBondContact O-N 3.44Å
65Q93.4Very high92.9Very high30 Ų3032.5 Ų32.514%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-119.2142.1-177.8-66.7-1733.900113.2R24 I25 I26 Q40 V59 I62R24-Q65 VanDerWaalsContact CD-OE1 3.3Å; I25-Q65 CarbonylContact O-C 3.56Å; I25-Q65 WeakPolarHBondContact O-CA 3.2Å; I26-Q65 HydrophobicContact CG1-CG 4.33Å; Q40-Q65 PolarHBondContact NE2-O 2.97Å; V59-Q65 HydrophobicContact CB-CB 3.91Å; V59-Q65 HydrophobicContact CG2-CB 3.54Å; V59-Q65 PolarHBondContact N-O 2.82Å; I62-Q65 HydrophobicContact CB-CB 4.4Å; I62-Q65 HydrophobicContact CG2-CB 3.94Å; I62-Q65 HydrophobicContact CG2-CG 3.67Å
66I95.9Very high92.8Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans-127.6126.9176.7-59.2174.8000108.2R24 I25 L27 Q40 M43 C44 S57 V68R24-I66 CarbonylContact C-O 3.56Å; R24-I66 WeakPolarHBondContact CA-O 3.33Å; I25-I66 HydrophobicContact CB-CB 4.28Å; I25-I66 PolarHBondContact N-O 3.23Å; I25-I66 PolarHBondContact O-N 3.01Å; L27-I66 HydrophobicContact CD2-CD1 4.28Å; Q40-I66 HydrophobicContact CG-CD1 4.31Å; Q40-I66 HydrophobicContact CG-CG1 3.84Å; M43-I66 HydrophobicContact CB-CD1 3.91Å; M43-I66 HydrophobicContact CG-CD1 4.1Å; M43-I66 HydrophobicContact SD-CD1 3.86Å; C44-I66 VanDerWaalsContact SG-CG1 3.56Å; C44-I66 VanDerWaalsContact SG-CG2 3.5Å; S57-I66 WeakPolarHBondContact O-CA 3.46Å; I66-V68 HydrophobicContact CG2-CG2 4.14Å
67W96.8Very high92.6Very high19 Ų1942.7 Ų42.77%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-79137.3163.7-79.9123000109.9A22 R24 A56 S57 V59 Q95 I101 C105A22-W67 HydrophobicContact CB-CE3 4.2Å; A22-W67 HydrophobicContact CB-CZ3 4.13Å; R24-W67 HydrophobicContact CB-CZ3 4.5Å; R24-W67 HydrophobicContact CG-CD2 4.21Å; R24-W67 HydrophobicContact CG-CE3 3.71Å; R24-W67 HydrophobicContact CG-CH2 3.53Å; R24-W67 HydrophobicContact CG-CZ2 4.08Å; R24-W67 HydrophobicContact CG-CZ3 3.34Å; R24-W67 VanDerWaalsContact NE-CH2 3.28Å; R24-W67 VanDerWaalsContact NE-CZ2 3.3Å; A56-W67 CarbonylContact C-O 3.59Å; A56-W67 WeakPolarHBondContact CA-O 3.43Å; S57-W67 PolarHBondContact N-O 3.16Å; S57-W67 PolarHBondContact O-N 3.43Å; V59-W67 HydrophobicContact CG2-CG 4.14Å; W67-Q95 HydrophobicContact CH2-CG 4.49Å; W67-Q95 VanDerWaalsContact CH2-OE1 3.29Å; W67-Q95 HydrophobicContact CZ3-CG 4.24Å; W67-I101 HydrophobicContact CB-CG2 4.3Å; W67-I101 HydrophobicContact CD2-CD1 4.26Å; W67-I101 HydrophobicContact CD2-CG1 4.38Å; W67-I101 HydrophobicContact CD2-CG2 3.73Å; W67-I101 HydrophobicContact CE3-CD1 4.3Å; W67-I101 HydrophobicContact CE3-CG2 4.03Å; W67-I101 HydrophobicContact CG-CG2 3.85Å; W67-I101 HydrophobicContact CH2-CD1 3.6Å; W67-I101 HydrophobicContact CZ2-CD1 3.49Å; W67-I101 VanDerWaalsContact CZ2-CD1 3.49Å; W67-I101 HydrophobicContact CZ2-CG1 4Å; W67-I101 HydrophobicContact CZ3-CD1 3.99Å; W67-C105 VanDerWaalsContact CB-SG 3.55Å
68V97.3Very high92.3Very high0 Ų051.5 Ų51.50%029%0.288CS..EExtended strand (participates in β ladder)trans-126.8133.4162.9-166.90000108.7A22 V23 I25 L47 I54 L55 A56 I66 M70 L80A22-V68 CarbonylContact C-O 3.52Å; A22-V68 WeakPolarHBondContact CA-O 3.39Å; V23-V68 PolarHBondContact N-O 2.9Å; V23-V68 PolarHBondContact O-N 2.69Å; I25-V68 HydrophobicContact CD1-CG2 3.55Å; I25-V68 HydrophobicContact CG1-CG2 4.32Å; L47-V68 HydrophobicContact CD1-CG2 4.28Å; I54-V68 HydrophobicContact CB-CG1 3.89Å; I54-V68 HydrophobicContact CD1-CG1 3.91Å; I54-V68 HydrophobicContact CG1-CG1 4.23Å; I54-V68 HydrophobicContact CG2-CG1 4.39Å; L55-V68 CarbonylContact O-C 3.48Å; L55-V68 VanDerWaalsContact O-CA 3.31Å; L55-V68 WeakPolarHBondContact O-CA 3.44Å; L55-V68 WeakPolarHBondContact O-CG1 3.41Å; A56-V68 HydrophobicContact CB-CG2 4.43Å; I66-V68 HydrophobicContact CG2-CG2 4.14Å; V68-M70 HydrophobicContact CB-CE 3.9Å; V68-M70 HydrophobicContact CG1-CE 3.67Å; V68-L80 HydrophobicContact CG1-CD1 4.26Å
69V97.1Very high92Very high0 Ų056.1 Ų56.10%031%0.305CS..EExtended strand (participates in β ladder)trans-115.6131.4172.9178.80000108.4L20 C21 A22 I54 L55 V97 I101 L102 C105L20-V69 HydrophobicContact CB-CG1 4.38Å; L20-V69 HydrophobicContact CD1-CG1 4.16Å; C21-V69 WeakPolarHBondContact O-CA 3.26Å; A22-V69 HydrophobicContact CB-CG2 4.11Å; I54-V69 WeakPolarHBondContact CA-O 3.31Å; L55-V69 HydrophobicContact CB-CB 4.45Å; L55-V69 PolarHBondContact N-O 3.39Å; L55-V69 PolarHBondContact O-N 3.27Å; V69-V97 HydrophobicContact CG1-CG1 4.26Å; V69-V97 HydrophobicContact CG1-CG2 3.77Å; V69-I101 HydrophobicContact CG2-CG2 3.93Å; V69-L102 HydrophobicContact CG1-CD1 4.35Å; V69-C105 HydrophobicContact CG2-CB 4.3Å
70M96.4Very high92Very high1 Ų155.3 Ų55.31%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-150164.3-174.969.3-160.582.300110.8L20 C21 V23 I54 V68 F74 Y75 L80L20-M70 WeakPolarHBondContact CA-O 3.43Å; C21-M70 PolarHBondContact N-O 3.19Å; C21-M70 PolarHBondContact O-N 3.47Å; C21-M70 VanDerWaalsContact O-N 3.1Å; V23-M70 HydrophobicContact CB-CE 4.08Å; V23-M70 HydrophobicContact CG2-CE 3.75Å; I54-M70 HydrophobicContact CB-CB 4.47Å; I54-M70 HydrophobicContact CG2-CB 3.78Å; V68-M70 HydrophobicContact CB-CE 3.9Å; V68-M70 HydrophobicContact CG1-CE 3.67Å; M70-F74 HydrophobicContact CB-CB 4.46Å; M70-F74 HydrophobicContact CB-CD1 4.05Å; M70-F74 HydrophobicContact CG-CD1 4.28Å; M70-F74 HydrophobicContact SD-CD1 3.88Å; M70-F74 HydrophobicContact SD-CE1 4.48Å; M70-Y75 HydrophobicContact SD-CD2 4.1Å; M70-Y75 HydrophobicContact SD-CG 4.42Å; M70-L80 HydrophobicContact CE-CD1 3.6Å; M70-L80 HydrophobicContact SD-CD1 3.93Å
71A96.1Very high92.2Very high11 Ų1153 Ų539%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-68144.9170.500000111.3L20 P73 F74 Y75 F305L20-A71 HydrophobicContact CD2-CB 4.38Å; A71-P73 VanDerWaalsContact C-N 3.34Å; A71-F74 HydrophobicContact CB-CB 4.49Å; A71-F74 WeakPolarHBondContact O-CA 3.15Å; A71-F74 WeakPolarHBondContact O-CB 3.16Å; A71-F74 PolarHBondContact O-N 3.14Å; A71-Y75 PolarHBondContact O-N 2.97Å; A71-Y75 VanDerWaalsContact O-N 3.13Å; A71-F305 HydrophobicContact CB-CE2 3.82Å; A71-F305 HydrophobicContact CB-CZ 4.35Å
72I95.3Very high92.5Very high56 Ų5652.5 Ų52.529%0.28727%0.268SS..Hα-helixtrans-55.4-39.7179.6-68.3168.3000112.9N18 K19 C21 F74 Y75 K76N18-I72 VanDerWaalsContact O-CD1 3.31Å; N18-I72 WeakPolarHBondContact O-CD1 3.31Å; K19-I72 WeakPolarHBondContact O-CG1 3.27Å; K19-I72 PolarHBondContact O-N 3.31Å; C21-I72 HydrophobicContact CB-CG1 4.15Å; I72-F74 VanDerWaalsContact C-N 3.33Å; I72-F74 PolarHBondContact O-N 3.23Å; I72-Y75 PolarHBondContact O-N 3.47Å; I72-K76 HydrophobicContact CG2-CD 4.28Å; I72-K76 HydrophobicContact CG2-CG 4.48Å; I72-K76 WeakPolarHBondContact O-CG 3.42Å; I72-K76 PolarHBondContact O-N 3.48Å
73P94.8Very high92.6Very high94 Ų9451 Ų5161%0.6126%0.258SS*.Hα-helixtrans-61.7-35.4172.8-25.236.1000114A71 K76 A77A71-P73 VanDerWaalsContact C-N 3.34Å; P73-K76 PolarHBondContact O-N 2.79Å; P73-A77 PolarHBondContact O-N 3.11Å; P73-A77 VanDerWaalsContact O-N 3.08Å
74F94.8Very high92.9Very high19 Ų1949 Ų498%0.08325%0.248CC..Hα-helixtrans-67.1-42.1177.4-172.5-78.8000111.1H51 D53 I54 M70 A71 I72 A77 K79 L80H51-F74 HydrophobicContact CB-CE2 4.45Å; H51-F74 HydrophobicContact CB-CZ 3.92Å; H51-F74 AromaticContact CG-CZ 3.73Å; H51-F74 AromaticContact ND1-CZ 3.96Å; D53-F74 HydrophobicContact CB-CD2 3.96Å; D53-F74 HydrophobicContact CB-CE2 4.04Å; I54-F74 HydrophobicContact CG2-CD1 3.9Å; I54-F74 HydrophobicContact CG2-CE1 3.46Å; I54-F74 VanDerWaalsContact CG2-CE1 3.46Å; I54-F74 HydrophobicContact CG2-CE2 4.39Å; I54-F74 HydrophobicContact CG2-CZ 3.75Å; M70-F74 HydrophobicContact CB-CB 4.46Å; M70-F74 HydrophobicContact CB-CD1 4.05Å; M70-F74 HydrophobicContact CG-CD1 4.28Å; M70-F74 HydrophobicContact SD-CD1 3.88Å; M70-F74 HydrophobicContact SD-CE1 4.48Å; A71-F74 HydrophobicContact CB-CB 4.49Å; A71-F74 WeakPolarHBondContact O-CA 3.15Å; A71-F74 WeakPolarHBondContact O-CB 3.16Å; A71-F74 PolarHBondContact O-N 3.14Å; I72-F74 VanDerWaalsContact C-N 3.33Å; I72-F74 PolarHBondContact O-N 3.23Å; F74-A77 PolarHBondContact O-N 3.29Å; F74-K79 HydrophobicContact CD2-CD 4.29Å; F74-K79 HydrophobicContact CE1-CB 4.29Å; F74-K79 HydrophobicContact CE2-CD 3.87Å; F74-K79 HydrophobicContact CZ-CB 4.16Å; F74-K79 HydrophobicContact CZ-CD 4.1Å; F74-L80 HydrophobicContact CE1-CD1 4.37Å; F74-L80 HydrophobicContact CE1-CD2 4.12Å; F74-L80 HydrophobicContact CE1-CG 3.99Å
75Y93.9Very high93Very high70 Ų7052.9 Ų52.928%0.27527%0.265SS..Hα-helixtrans-61.1-48172.7175.5-100.4000111.8V23 M70 A71 I72 A77 R78 M91 P94V23-Y75 HydrophobicContact CG2-CD2 3.99Å; V23-Y75 HydrophobicContact CG2-CE2 4.16Å; M70-Y75 HydrophobicContact SD-CD2 4.1Å; M70-Y75 HydrophobicContact SD-CG 4.42Å; A71-Y75 PolarHBondContact O-N 2.97Å; A71-Y75 VanDerWaalsContact O-N 3.13Å; I72-Y75 PolarHBondContact O-N 3.47Å; Y75-A77 PolarHBondContact O-N 3.48Å; Y75-R78 PolarHBondContact O-N 3.41Å; Y75-M91 HydrophobicContact CE2-SD 4.03Å; Y75-P94 HydrophobicContact CD1-CB 4.47Å; Y75-P94 HydrophobicContact CD1-CG 4.38Å; Y75-P94 HydrophobicContact CE1-CB 4.17Å; Y75-P94 HydrophobicContact CE1-CG 3.72Å; Y75-P94 HydrophobicContact CE2-CB 4.41Å
76K93.7Very high92.7Very high159 Ų15959.5 Ų59.569%0.69129%0.294SS*.Hα-helixtrans-58.1-30.9177.9-74.8-178.5176.9-174.20112.9I72 P73 R78I72-K76 HydrophobicContact CG2-CD 4.28Å; I72-K76 HydrophobicContact CG2-CG 4.48Å; I72-K76 WeakPolarHBondContact O-CG 3.42Å; I72-K76 PolarHBondContact O-N 3.48Å; P73-K76 PolarHBondContact O-N 2.79Å; K76-R78 PolarHBondContact O-N 3.2Å
77A93.3Very high92.1Very high55 Ų5563.4 Ų63.446%0.45531%0.309SS..THydrogen-bonded Turntrans-74.6-1.5175.500000114.9P73 F74 Y75 K79P73-A77 PolarHBondContact O-N 3.11Å; P73-A77 VanDerWaalsContact O-N 3.08Å; F74-A77 PolarHBondContact O-N 3.29Å; Y75-A77 PolarHBondContact O-N 3.48Å; A77-K79 HydrophobicContact CB-CD 4.49Å; A77-K79 HydrophobicContact CB-CG 4.1Å; A77-K79 PolarHBondContact O-N 3.07Å
78R90.6Very high91.5Very high189 Ų18964.6 Ų64.671%0.71333%0.327SS*.THydrogen-bonded Turntrans5220174.3-64.1-173.2-178.7-178.10.9116.2Y75 K76 L80 N81Y75-R78 PolarHBondContact O-N 3.41Å; K76-R78 PolarHBondContact O-N 3.2Å; R78-L80 PolarHBondContact O-N 3.12Å; R78-N81 WeakPolarHBondContact CB-OD1 3.4Å; R78-N81 WeakPolarHBondContact O-CB 3.25Å; R78-N81 PolarHBondContact O-N 3.36Å; R78-N81 PolarHBondContact O-OD1 3.12Å
79K88.3Confident91.2Very high122 Ų12265 Ų6553%0.5333%0.33SS..THydrogen-bonded Turntrans-56.5-24.1-175-66.3-177.6177.1-178.10114.1F74 A77F74-K79 HydrophobicContact CD2-CD 4.29Å; F74-K79 HydrophobicContact CE1-CB 4.29Å; F74-K79 HydrophobicContact CE2-CD 3.87Å; F74-K79 HydrophobicContact CZ-CB 4.16Å; F74-K79 HydrophobicContact CZ-CD 4.1Å; A77-K79 HydrophobicContact CB-CD 4.49Å; A77-K79 HydrophobicContact CB-CG 4.1Å; A77-K79 PolarHBondContact O-N 3.07Å
80L90.3Very high90.9Very high5 Ų572.9 Ų72.93%0.02637%0.365CS..THydrogen-bonded Turntrans-86.2-21-179.7-61.3-176.9000114.4L47 H51 I54 V68 M70 F74 R78 Y83 V84 M91L47-L80 HydrophobicContact CD2-CD2 3.97Å; H51-L80 WeakPolarHBondContact CD2-CD2 3.45Å; I54-L80 HydrophobicContact CD1-CD2 4.09Å; V68-L80 HydrophobicContact CG1-CD1 4.26Å; M70-L80 HydrophobicContact CE-CD1 3.6Å; M70-L80 HydrophobicContact SD-CD1 3.93Å; F74-L80 HydrophobicContact CE1-CD1 4.37Å; F74-L80 HydrophobicContact CE1-CD2 4.12Å; F74-L80 HydrophobicContact CE1-CG 3.99Å; R78-L80 PolarHBondContact O-N 3.12Å; L80-Y83 PolarHBondContact O-N 3.45Å; L80-Y83 VanDerWaalsContact O-N 3.16Å; L80-V84 WeakPolarHBondContact O-CG2 3.49Å; L80-V84 PolarHBondContact O-N 2.87Å; L80-M91 HydrophobicContact CB-CE 3.74Å; L80-M91 HydrophobicContact CD1-CE 4.11Å
81N88.8Confident90.8Very high46 Ų4675.1 Ų75.125%0.24638%0.376CS..Hα-helixtrans-56.8-58.7-169.3-81.168000112.5R78 Y83 V84 E85R78-N81 WeakPolarHBondContact CB-OD1 3.4Å; R78-N81 WeakPolarHBondContact O-CB 3.25Å; R78-N81 PolarHBondContact O-N 3.36Å; R78-N81 PolarHBondContact O-OD1 3.12Å; N81-Y83 PolarHBondContact O-N 3.14Å; N81-Y83 VanDerWaalsContact O-N 3.14Å; N81-V84 PolarHBondContact O-N 2.91Å; N81-E85 WeakPolarHBondContact CB-OE1 3.18Å; N81-E85 PolarHBondContact ND2-OE1 3.34Å; N81-E85 WeakPolarHBondContact O-CB 3.44Å; N81-E85 WeakPolarHBondContact O-CG 3.22Å; N81-E85 PolarHBondContact O-N 2.99Å
82A87.6Confident90.7Very high74 Ų7477.9 Ų77.961%0.61239%0.387SS*.Hα-helixtrans-59.8-28.1179.700000113.4K86A82-K86 WeakPolarHBondContact O-CB 3.46Å; A82-K86 PolarHBondContact O-N 2.86Å
83Y89.2Confident90.6Very high34 Ų3479 Ų7913%0.13340%0.404CS..Hα-helixtrans-74.4-43.1173.6-177.6-90.1000111.6M43 Q46 L47 L50 L80 N81 K86 Y87M43-Y83 HydrophobicContact CE-CD1 3.87Å; M43-Y83 HydrophobicContact CE-CE1 3.63Å; M43-Y83 HydrophobicContact CG-CE1 3.81Å; Q46-Y83 VanDerWaalsContact CB-OH 3.28Å; Q46-Y83 WeakPolarHBondContact CB-OH 3.47Å; Q46-Y83 PolarHBondContact OE1-OH 3.27Å; L47-Y83 HydrophobicContact CD2-CD1 3.57Å; L47-Y83 HydrophobicContact CD2-CE1 3.58Å; L47-Y83 HydrophobicContact CG-CD1 4.25Å; L47-Y83 HydrophobicContact CG-CE1 3.75Å; L50-Y83 HydrophobicContact CD2-CD2 3.65Å; L50-Y83 HydrophobicContact CD2-CE2 4.06Å; L50-Y83 HydrophobicContact CD2-CG 4.13Å; L80-Y83 PolarHBondContact O-N 3.45Å; L80-Y83 VanDerWaalsContact O-N 3.16Å; N81-Y83 PolarHBondContact O-N 3.14Å; N81-Y83 VanDerWaalsContact O-N 3.14Å; Y83-K86 PolarHBondContact O-N 3.44Å; Y83-Y87 HydrophobicContact CD2-CE2 4.23Å; Y83-Y87 HydrophobicContact CE1-CD2 4.29Å; Y83-Y87 HydrophobicContact CE1-CE2 4.05Å; Y83-Y87 HydrophobicContact CE2-CD2 4.44Å; Y83-Y87 AromaticContact CE2-CE2 3.6Å; Y83-Y87 HydrophobicContact CE2-CE2 3.6Å; Y83-Y87 AromaticContact CZ-CE2 3.48Å; Y83-Y87 VanDerWaalsContact CZ-CE2 3.48Å; Y83-Y87 AromaticContact CZ-CZ 3.9Å; Y83-Y87 VanDerWaalsContact O-CD2 3.3Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.25Å; Y83-Y87 PolarHBondContact OH-OH 3.49Å
84V90.1Very high90.6Very high4 Ų477.3 Ų77.32%0.02439%0.393CS..Hα-helixtrans-67.5-43.8178.6168.90000111.7I25 M43 L80 N81 K86 Y87 A89 M91I25-V84 HydrophobicContact CD1-CG2 3.61Å; I25-V84 HydrophobicContact CG1-CG2 3.97Å; I25-V84 HydrophobicContact CG2-CG1 3.95Å; I25-V84 HydrophobicContact CG2-CG2 4.2Å; M43-V84 HydrophobicContact CE-CB 4.49Å; M43-V84 HydrophobicContact CE-CG2 3.99Å; L80-V84 WeakPolarHBondContact O-CG2 3.49Å; L80-V84 PolarHBondContact O-N 2.87Å; N81-V84 PolarHBondContact O-N 2.91Å; V84-K86 VanDerWaalsContact C-N 3.35Å; V84-K86 PolarHBondContact O-N 3Å; V84-Y87 PolarHBondContact O-N 3.17Å; V84-A89 HydrophobicContact CG1-CB 3.9Å; V84-A89 WeakPolarHBondContact CG1-O 3.31Å; V84-A89 PolarHBondContact O-N 2.97Å; V84-M91 HydrophobicContact CG2-CE 3.84Å
85E88.6Confident90.7Very high123 Ų12379.8 Ų79.858%0.57541%0.405SS*.Hα-helixtrans-61.8-40.5176.6-70.9155-156.700111.5N81 Y87 G88N81-E85 WeakPolarHBondContact CB-OE1 3.18Å; N81-E85 PolarHBondContact ND2-OE1 3.34Å; N81-E85 WeakPolarHBondContact O-CB 3.44Å; N81-E85 WeakPolarHBondContact O-CG 3.22Å; N81-E85 PolarHBondContact O-N 2.99Å; E85-Y87 PolarHBondContact O-N 3.31Å; E85-G88 PolarHBondContact O-N 2.97Å
86K87.4Confident90.7Very high169 Ų16983.8 Ų83.874%0.73542%0.42SS*.Hα-helixtrans-58.2-28.1175.1175.3174.6178.8174.50114.1A82 Y83 V84A82-K86 WeakPolarHBondContact O-CB 3.46Å; A82-K86 PolarHBondContact O-N 2.86Å; Y83-K86 PolarHBondContact O-N 3.44Å; V84-K86 VanDerWaalsContact C-N 3.35Å; V84-K86 PolarHBondContact O-N 3Å
87Y83.8Confident90.8Very high81 Ų8176.3 Ų76.332%0.31839%0.388SS..THydrogen-bonded Turntrans-949.3176.5-76.7-107.3000112.8M43 Q46 Y83 V84 E85 A89M43-Y87 HydrophobicContact CE-CD2 4.43Å; M43-Y87 HydrophobicContact CE-CG 4.28Å; M43-Y87 HydrophobicContact SD-CG 4.48Å; Q46-Y87 PolarHBondContact OE1-OH 2.79Å; Y83-Y87 HydrophobicContact CD2-CE2 4.23Å; Y83-Y87 HydrophobicContact CE1-CD2 4.29Å; Y83-Y87 HydrophobicContact CE1-CE2 4.05Å; Y83-Y87 HydrophobicContact CE2-CD2 4.44Å; Y83-Y87 AromaticContact CE2-CE2 3.6Å; Y83-Y87 HydrophobicContact CE2-CE2 3.6Å; Y83-Y87 AromaticContact CZ-CE2 3.48Å; Y83-Y87 VanDerWaalsContact CZ-CE2 3.48Å; Y83-Y87 AromaticContact CZ-CZ 3.9Å; Y83-Y87 VanDerWaalsContact O-CD2 3.3Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.25Å; Y83-Y87 PolarHBondContact OH-OH 3.49Å; V84-Y87 PolarHBondContact O-N 3.17Å; E85-Y87 PolarHBondContact O-N 3.31Å; Y87-A89 PolarHBondContact O-N 3.38Å
88G84.4Confident90.8Very high45 Ų4577.7 Ų77.746%0.46439%0.387SS..THydrogen-bonded Turntrans61.229.7-177.500000112.7S28 E85S28-G88 VanDerWaalsContact CB-O 3.32Å; S28-G88 WeakPolarHBondContact CB-O 3.32Å; S28-G88 PolarHBondContact OG-O 2.99Å; E85-G88 PolarHBondContact O-N 2.97Å
89A90.6Very high91Very high8 Ų870.1 Ų70.17%0.06636%0.362CS..  trans-103.7161.3179.900000110.6I25 I26 L27 V84 Y87I25-A89 HydrophobicContact CG2-CB 3.82Å; I26-A89 CarbonylContact O-C 3.53Å; I26-A89 VanDerWaalsContact O-CA 3.23Å; I26-A89 WeakPolarHBondContact O-CA 3.47Å; I26-A89 WeakPolarHBondContact O-CB 3.28Å; L27-A89 HydrophobicContact CD2-CB 3.98Å; V84-A89 HydrophobicContact CG1-CB 3.9Å; V84-A89 WeakPolarHBondContact CG1-O 3.31Å; V84-A89 PolarHBondContact O-N 2.97Å; Y87-A89 PolarHBondContact O-N 3.38Å
90K92Very high91.2Very high165 Ų16568.8 Ų68.872%0.71736%0.364SS*.EExtended strand (participates in β ladder)trans-115.7147178-65.2-173.4177.6-174.80110.5I25 I26I25-K90 CarbonylContact C-O 3.55Å; I25-K90 WeakPolarHBondContact CA-O 3.37Å; I26-K90 PolarHBondContact N-O 3.35Å; I26-K90 PolarHBondContact O-N 3.14Å
91M92.9Very high91.4Very high48 Ų4869 Ų6924%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-102.2127.7173.8-171.4167.3-71.800109.4V23 I25 Y75 L80 V84V23-M91 HydrophobicContact CG1-CG 3.3Å; V23-M91 HydrophobicContact CG1-SD 3.8Å; I25-M91 HydrophobicContact CD1-CE 4.34Å; I25-M91 HydrophobicContact CG1-CE 4.1Å; Y75-M91 HydrophobicContact CE2-SD 4.03Å; L80-M91 HydrophobicContact CB-CE 3.74Å; L80-M91 HydrophobicContact CD1-CE 4.11Å; V84-M91 HydrophobicContact CG2-CE 3.84Å
92E94.2Very high91.7Very high69 Ų6966.9 Ų66.932%0.32235%0.353SS..PPolyproline II helixtrans-75.6169.7172.7-68-162.2136.100111.5R24 I26R24-E92 HydrophobicContact CB-CB 4.14Å; R24-E92 HydrophobicContact CB-CG 3.98Å; R24-E92 VanDerWaalsContact CB-OE2 3.28Å; R24-E92 WeakPolarHBondContact CB-OE2 3.3Å; R24-E92 WeakPolarHBondContact CD-OE2 3.4Å; R24-E92 VanDerWaalsContact CG-OE2 3.27Å; R24-E92 WeakPolarHBondContact CG-OE2 3.42Å; R24-E92 IonicContact CZ-OE2 2.69Å; R24-E92 IonicContact NE-OE2 3.68Å; R24-E92 IonicContact NH1-OE1 2.77Å; R24-E92 IonicContact NH1-OE2 3.81Å; R24-E92 PolarHBondContact NH1-OE2 3.03Å; R24-E92 PolarHBondContact O-N 2.89Å; I26-E92 HydrophobicContact CD1-CG 3.81Å; I26-E92 HydrophobicContact CG1-CG 4.2Å
93A92.9Very high92.1Very high79 Ų7966 Ų6665%0.65334%0.337SS*.PPolyproline II helixtrans-59.5147.2171.600000111.7
94P95.7Very high92.4Very high59 Ų5967.3 Ų67.338%0.38335%0.346SS..PPolyproline II helixtrans-71.5138.217731.3-35.6000110.6C21 V23 Y75C21-P94 HydrophobicContact CB-CB 4.13Å; V23-P94 HydrophobicContact CG2-CB 4.15Å; Y75-P94 HydrophobicContact CD1-CB 4.47Å; Y75-P94 HydrophobicContact CD1-CG 4.38Å; Y75-P94 HydrophobicContact CE1-CB 4.17Å; Y75-P94 HydrophobicContact CE1-CG 3.72Å; Y75-P94 HydrophobicContact CE2-CB 4.41Å
95Q95.9Very high92.7Very high72 Ų7267.1 Ų67.134%0.33635%0.345SS..BIsolated β-bridgetrans-125.4164.5177.555.2148.687.600111.7A22 W67 I101A22-Q95 HydrophobicContact CB-CG 4.13Å; A22-Q95 PolarHBondContact N-O 3.47Å; A22-Q95 VanDerWaalsContact O-CG 3.31Å; A22-Q95 WeakPolarHBondContact O-CG 3.31Å; A22-Q95 PolarHBondContact O-N 2.93Å; W67-Q95 HydrophobicContact CH2-CG 4.49Å; W67-Q95 VanDerWaalsContact CH2-OE1 3.29Å; W67-Q95 HydrophobicContact CZ3-CG 4.24Å; Q95-I101 VanDerWaalsContact NE2-CD1 3.33Å
96R95.1Very high93Very high153 Ų15361.2 Ų61.258%0.57732%0.317SS*.  trans-58.7141.8175.2-163177.1-170.7-145.6-0.1110.3N18N18-R96 PolarHBondContact OD1-NE 2.87Å; N18-R96 PolarHBondContact OD1-NH2 2.92Å
97V95.4Very high93.4Very high3 Ų355 Ų552%0.01829%0.294CS..  trans-76.6125.3171.8-176.40000108.8L17 L20 A22 V69 L102L17-V97 HydrophobicContact CD2-CB 4.3Å; L17-V97 HydrophobicContact CD2-CG1 3.96Å; L20-V97 HydrophobicContact CB-CB 4.46Å; L20-V97 HydrophobicContact CB-CG2 3.58Å; A22-V97 HydrophobicContact CB-CG2 4.12Å; V69-V97 HydrophobicContact CG1-CG1 4.26Å; V69-V97 HydrophobicContact CG1-CG2 3.77Å; V97-L102 HydrophobicContact CG1-CB 3.84Å; V97-L102 HydrophobicContact CG1-CD2 4.25Å; V97-L102 HydrophobicContact CG1-CG 4.49Å
98I93.8Very high94Very high84 Ų8452.7 Ų52.743%0.43129%0.286SS..  trans-107.6151.8169.363.6173.2000109.9V100 I101 L102I98-V100 VanDerWaalsContact C-N 3.25Å; I98-V100 PolarHBondContact O-N 3.4Å; I98-V100 VanDerWaalsContact O-N 3.12Å; I98-I101 HydrophobicContact CD1-CD1 4.18Å; I98-I101 HydrophobicContact CD1-CG1 4.19Å; I98-I101 HydrophobicContact CG1-CB 4.22Å; I98-I101 HydrophobicContact CG1-CD1 3.75Å; I98-I101 HydrophobicContact CG1-CG1 3.72Å; I98-I101 PolarHBondContact O-N 3Å; I98-I101 VanDerWaalsContact O-N 3.07Å; I98-L102 PolarHBondContact O-N 2.85Å
99P93.4Very high94.5Very high29 Ų2950.6 Ų50.619%0.18826%0.264CS..Hα-helixtrans-52.5-37.9-175.4-30.636.6000114.7I101 L102 Q103 V147 E149P99-I101 PolarHBondContact O-N 3.46Å; P99-L102 PolarHBondContact O-N 2.94Å; P99-Q103 VanDerWaalsContact O-CB 3.31Å; P99-Q103 WeakPolarHBondContact O-CB 3.26Å; P99-Q103 PolarHBondContact O-N 3.16Å; P99-V147 HydrophobicContact CB-CB 4.43Å; P99-V147 HydrophobicContact CB-CG1 4.11Å; P99-V147 WeakPolarHBondContact CB-O 3.28Å; P99-E149 HydrophobicContact CG-CG 3.94Å
100V93.8Very high94.7Very high95 Ų9550.2 Ų50.258%0.57626%0.261SS*.Hα-helixtrans-63.2-41.8179.3-179.20000112.8I98 N104I98-V100 VanDerWaalsContact C-N 3.25Å; I98-V100 PolarHBondContact O-N 3.4Å; I98-V100 VanDerWaalsContact O-N 3.12Å; V100-N104 PolarHBondContact O-N 3.16Å; V100-N104 PolarHBondContact O-ND2 3.36Å; V100-N104 VanDerWaalsContact O-ND2 3.12Å
101I94.9Very high94.8Very high10 Ų1043.9 Ų43.95%0.05124%0.236CC..Hα-helixtrans-66.9-45.1176.8-65.1174.8000109.3A22 W67 V69 Q95 I98 P99 Q103 N104 C105A22-I101 HydrophobicContact CB-CD1 4.39Å; A22-I101 HydrophobicContact CB-CG2 4.09Å; W67-I101 HydrophobicContact CB-CG2 4.3Å; W67-I101 HydrophobicContact CD2-CD1 4.26Å; W67-I101 HydrophobicContact CD2-CG1 4.38Å; W67-I101 HydrophobicContact CD2-CG2 3.73Å; W67-I101 HydrophobicContact CE3-CD1 4.3Å; W67-I101 HydrophobicContact CE3-CG2 4.03Å; W67-I101 HydrophobicContact CG-CG2 3.85Å; W67-I101 HydrophobicContact CH2-CD1 3.6Å; W67-I101 HydrophobicContact CZ2-CD1 3.49Å; W67-I101 VanDerWaalsContact CZ2-CD1 3.49Å; W67-I101 HydrophobicContact CZ2-CG1 4Å; W67-I101 HydrophobicContact CZ3-CD1 3.99Å; V69-I101 HydrophobicContact CG2-CG2 3.93Å; Q95-I101 VanDerWaalsContact NE2-CD1 3.33Å; I98-I101 HydrophobicContact CD1-CD1 4.18Å; I98-I101 HydrophobicContact CD1-CG1 4.19Å; I98-I101 HydrophobicContact CG1-CB 4.22Å; I98-I101 HydrophobicContact CG1-CD1 3.75Å; I98-I101 HydrophobicContact CG1-CG1 3.72Å; I98-I101 PolarHBondContact O-N 3Å; I98-I101 VanDerWaalsContact O-N 3.07Å; P99-I101 PolarHBondContact O-N 3.46Å; I101-Q103 PolarHBondContact O-N 2.9Å; I101-N104 PolarHBondContact O-N 2.69Å; I101-C105 WeakPolarHBondContact O-CB 3.43Å; I101-C105 PolarHBondContact O-N 2.91Å; I101-C105 PolarHBondContact O-SG 2.86Å
102L95.1Very high95Very high0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-63.8-40.3-179.9-177.155.2000112.3L14 L17 L55 V69 V97 I98 P99 C105 L106 V147L14-L102 HydrophobicContact CD1-CD2 3.77Å; L14-L102 HydrophobicContact CD2-CD2 3.81Å; L14-L102 HydrophobicContact CG-CD2 4.3Å; L17-L102 HydrophobicContact CD2-CD2 3.54Å; L55-L102 HydrophobicContact CD1-CD1 3.6Å; V69-L102 HydrophobicContact CG1-CD1 4.35Å; V97-L102 HydrophobicContact CG1-CB 3.84Å; V97-L102 HydrophobicContact CG1-CD2 4.25Å; V97-L102 HydrophobicContact CG1-CG 4.49Å; I98-L102 PolarHBondContact O-N 2.85Å; P99-L102 PolarHBondContact O-N 2.94Å; L102-C105 PolarHBondContact O-N 2.8Å; L102-L106 HydrophobicContact CD1-CD1 4.03Å; L102-L106 HydrophobicContact CD1-CG 3.99Å; L102-L106 HydrophobicContact CG-CD1 3.86Å; L102-L106 HydrophobicContact CG-CG 4.31Å; L102-L106 VanDerWaalsContact O-CB 3.32Å; L102-L106 WeakPolarHBondContact O-CB 3.45Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.39Å; L102-V147 HydrophobicContact CB-CG1 4.4Å; L102-V147 HydrophobicContact CD2-CG1 4Å; L102-V147 HydrophobicContact CG-CG1 4.21Å
103Q95.6Very high95Very high57 Ų5739.3 Ų39.327%0.26621%0.214SC..Hα-helixtrans-61.4-44175.5-174.1169.1-46.900112.3P99 I101 S107 I145 N146 V147P99-Q103 VanDerWaalsContact O-CB 3.31Å; P99-Q103 WeakPolarHBondContact O-CB 3.26Å; P99-Q103 PolarHBondContact O-N 3.16Å; I101-Q103 PolarHBondContact O-N 2.9Å; Q103-S107 VanDerWaalsContact O-CB 3.25Å; Q103-S107 WeakPolarHBondContact O-CB 3.36Å; Q103-S107 PolarHBondContact O-N 2.96Å; Q103-S107 PolarHBondContact O-OG 3.33Å; Q103-I145 VanDerWaalsContact CD-O 3.24Å; Q103-I145 HydrophobicContact CG-CG2 4.47Å; Q103-I145 WeakPolarHBondContact CG-O 3.18Å; Q103-I145 PolarHBondContact NE2-O 3.24Å; Q103-N146 PolarHBondContact OE1-OD1 2.93Å; Q103-V147 HydrophobicContact CB-CB 4.03Å; Q103-V147 HydrophobicContact CB-CG2 3.61Å; Q103-V147 HydrophobicContact CG-CG2 4.02Å; Q103-V147 VanDerWaalsContact OE1-N 3.08Å
104N95.6Very high95.2Very high60 Ų6035.6 Ų35.632%0.32118%0.183SC..Hα-helixtrans-64.7-45.9176.2-71.1-32.2000111.4S57 V100 I101 S107 Y108S57-N104 WeakPolarHBondContact CB-O 3.49Å; V100-N104 PolarHBondContact O-N 3.16Å; V100-N104 PolarHBondContact O-ND2 3.36Å; V100-N104 VanDerWaalsContact O-ND2 3.12Å; I101-N104 PolarHBondContact O-N 2.69Å; N104-S107 PolarHBondContact O-N 3.2Å; N104-Y108 PolarHBondContact O-N 3.18Å
105C96.3Very high95.2Very high0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-62.3-45.8176.1-74.60000112.7L55 S57 W67 V69 I101 L102 S109L55-C105 HydrophobicContact CB-CB 3.84Å; S57-C105 PolarHBondContact OG-N 3.42Å; S57-C105 PolarHBondContact OG-SG 3.36Å; W67-C105 VanDerWaalsContact CB-SG 3.55Å; V69-C105 HydrophobicContact CG2-CB 4.3Å; I101-C105 WeakPolarHBondContact O-CB 3.43Å; I101-C105 PolarHBondContact O-N 2.91Å; I101-C105 PolarHBondContact O-SG 2.86Å; L102-C105 PolarHBondContact O-N 2.8Å; C105-S109 WeakPolarHBondContact O-CB 3.34Å; C105-S109 PolarHBondContact O-N 2.9Å; C105-S109 PolarHBondContact O-OG 3.16Å
106L94.9Very high95.1Very high0 Ų031.5 Ų31.50%016%0.163CC..Hα-helixtrans-61-48.9174.8-75.6168.7000111.2L55 L102 Y108 S109 F110 V147 V152 I302L55-L106 HydrophobicContact CD1-CD2 3.46Å; L55-L106 VanDerWaalsContact CD1-CD2 3.46Å; L55-L106 HydrophobicContact CD1-CG 3.8Å; L55-L106 HydrophobicContact CD2-CD2 4.08Å; L55-L106 HydrophobicContact CG-CD2 4.43Å; L102-L106 HydrophobicContact CD1-CD1 4.03Å; L102-L106 HydrophobicContact CD1-CG 3.99Å; L102-L106 HydrophobicContact CG-CD1 3.86Å; L102-L106 HydrophobicContact CG-CG 4.31Å; L102-L106 VanDerWaalsContact O-CB 3.32Å; L102-L106 WeakPolarHBondContact O-CB 3.45Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.39Å; L106-Y108 PolarHBondContact O-N 2.78Å; L106-S109 PolarHBondContact O-N 3.36Å; L106-S109 VanDerWaalsContact O-N 3.16Å; L106-F110 HydrophobicContact CB-CE1 4.42Å; L106-F110 HydrophobicContact CD2-CD1 4.24Å; L106-F110 HydrophobicContact CD2-CE1 3.51Å; L106-F110 HydrophobicContact CD2-CZ 4.11Å; L106-F110 VanDerWaalsContact O-CB 3.31Å; L106-F110 WeakPolarHBondContact O-CB 3.28Å; L106-F110 VanDerWaalsContact O-CD1 3.22Å; L106-F110 WeakPolarHBondContact O-CD1 3.5Å; L106-F110 WeakPolarHBondContact O-CG 3.32Å; L106-F110 PolarHBondContact O-N 3.37Å; L106-V147 HydrophobicContact CD1-CG2 3.79Å; L106-V152 HydrophobicContact CD1-CG1 4.24Å; L106-V152 HydrophobicContact CD1-CG2 3.79Å; L106-I302 HydrophobicContact CD2-CD1 3.75Å; L106-I302 HydrophobicContact CD2-CG1 4.13Å
107S95.2Very high95.2Very high37 Ų3725.5 Ų25.526%0.25915%0.146SC..Hα-helixtrans-61-43-176.5-58.20000112.7Q103 N104 T111Q103-S107 VanDerWaalsContact O-CB 3.25Å; Q103-S107 WeakPolarHBondContact O-CB 3.36Å; Q103-S107 PolarHBondContact O-N 2.96Å; Q103-S107 PolarHBondContact O-OG 3.33Å; N104-S107 PolarHBondContact O-N 3.2Å; S107-T111 WeakPolarHBondContact O-CB 3.48Å; S107-T111 PolarHBondContact O-N 3Å; S107-T111 PolarHBondContact O-OG1 3.46Å
108Y95.7Very high95.3Very high34 Ų3425.3 Ų25.313%0.13315%0.145CC..Hα-helixtrans-69.3-45.3173-177.5-86.8000111.6M41 C44 R45 L48 A56 P58 N104 L106 F110 T111 A112M41-Y108 HydrophobicContact CE-CE2 4.06Å; M41-Y108 PolarHBondContact O-OH 3.46Å; M41-Y108 HydrophobicContact SD-CE2 4.01Å; C44-Y108 HydrophobicContact CB-CE1 3.62Å; C44-Y108 WeakPolarHBondContact CB-OH 3.45Å; R45-Y108 PolarHBondContact N-OH 3.1Å; L48-Y108 HydrophobicContact CD1-CD1 3.83Å; L48-Y108 HydrophobicContact CD1-CE1 3.74Å; A56-Y108 VanDerWaalsContact O-CD1 3.23Å; A56-Y108 WeakPolarHBondContact O-CD1 3.31Å; P58-Y108 VanDerWaalsContact CD-CD2 3.47Å; P58-Y108 HydrophobicContact CG-CD2 4.1Å; P58-Y108 HydrophobicContact CG-CE2 4.13Å; N104-Y108 PolarHBondContact O-N 3.18Å; L106-Y108 PolarHBondContact O-N 2.78Å; Y108-F110 PolarHBondContact O-N 2.89Å; Y108-T111 WeakPolarHBondContact O-CB 3.31Å; Y108-T111 PolarHBondContact O-N 3.29Å; Y108-A112 HydrophobicContact CD1-CB 4.4Å; Y108-A112 HydrophobicContact CE1-CB 4.11Å; Y108-A112 VanDerWaalsContact O-CB 3.3Å; Y108-A112 WeakPolarHBondContact O-CB 3.49Å; Y108-A112 PolarHBondContact O-N 3.07Å
109S95.9Very high95.4Very high0 Ų021.3 Ų21.30%012%0.124CC..Hα-helixtrans-65.4-39-175.9-57.90000113.2L48 L55 A56 C105 L106 A112 R113L48-S109 WeakPolarHBondContact CD2-OG 3.37Å; L55-S109 WeakPolarHBondContact CA-OG 3.2Å; A56-S109 PolarHBondContact N-OG 2.89Å; A56-S109 PolarHBondContact O-OG 2.8Å; C105-S109 WeakPolarHBondContact O-CB 3.34Å; C105-S109 PolarHBondContact O-N 2.9Å; C105-S109 PolarHBondContact O-OG 3.16Å; L106-S109 PolarHBondContact O-N 3.36Å; L106-S109 VanDerWaalsContact O-N 3.16Å; S109-A112 PolarHBondContact O-N 2.98Å; S109-R113 WeakPolarHBondContact O-CB 3.44Å; S109-R113 WeakPolarHBondContact O-CG 3.48Å; S109-R113 PolarHBondContact O-N 2.86Å
110F94.4Very high95.6Very high1 Ų126.5 Ų26.50%0.00414%0.14CC..Hα-helixtrans-61.7-54.1174.1-79.731.4000109.5I12 L106 Y108 A112 R113 L114 I145 L154 L295 L299I12-F110 HydrophobicContact CD1-CE2 4.13Å; I12-F110 HydrophobicContact CD1-CZ 3.91Å; L106-F110 HydrophobicContact CB-CE1 4.42Å; L106-F110 HydrophobicContact CD2-CD1 4.24Å; L106-F110 HydrophobicContact CD2-CE1 3.51Å; L106-F110 HydrophobicContact CD2-CZ 4.11Å; L106-F110 VanDerWaalsContact O-CB 3.31Å; L106-F110 WeakPolarHBondContact O-CB 3.28Å; L106-F110 VanDerWaalsContact O-CD1 3.22Å; L106-F110 WeakPolarHBondContact O-CD1 3.5Å; L106-F110 WeakPolarHBondContact O-CG 3.32Å; L106-F110 PolarHBondContact O-N 3.37Å; Y108-F110 PolarHBondContact O-N 2.89Å; F110-A112 PolarHBondContact O-N 2.89Å; F110-R113 PolarHBondContact O-N 2.76Å; F110-L114 VanDerWaalsContact O-CB 3.28Å; F110-L114 WeakPolarHBondContact O-CB 3.42Å; F110-L114 WeakPolarHBondContact O-CD1 3.48Å; F110-L114 WeakPolarHBondContact O-CG 3.37Å; F110-L114 PolarHBondContact O-N 2.96Å; F110-I145 HydrophobicContact CB-CD1 4.43Å; F110-I145 HydrophobicContact CD2-CD1 3.85Å; F110-I145 HydrophobicContact CE2-CD1 4.43Å; F110-I145 HydrophobicContact CG-CD1 4.26Å; F110-L154 HydrophobicContact CE2-CD2 3.92Å; F110-L295 HydrophobicContact CD2-CD1 3.73Å; F110-L295 HydrophobicContact CE2-CD1 3.82Å; F110-L295 HydrophobicContact CE2-CD2 4.28Å; F110-L295 HydrophobicContact CG-CD1 4.26Å; F110-L295 HydrophobicContact CZ-CD1 4.41Å; F110-L299 HydrophobicContact CB-CD1 4.34Å; F110-L299 HydrophobicContact CD1-CD1 3.42Å; F110-L299 VanDerWaalsContact CD1-CD1 3.42Å; F110-L299 HydrophobicContact CD1-CD2 4.25Å; F110-L299 HydrophobicContact CD1-CG 4.44Å; F110-L299 HydrophobicContact CE1-CD1 3.77Å; F110-L299 HydrophobicContact CE1-CD2 4.07Å; F110-L299 HydrophobicContact CE1-CG 4.43Å; F110-L299 HydrophobicContact CG-CD1 3.89Å
111T94.7Very high95.7Very high31 Ų3122 Ų2219%0.1911%0.113CC..Hα-helixtrans-53.1-43.3175.5-57.30000112S107 Y108 R120 L125S107-T111 WeakPolarHBondContact O-CB 3.48Å; S107-T111 PolarHBondContact O-N 3Å; S107-T111 PolarHBondContact O-OG1 3.46Å; Y108-T111 WeakPolarHBondContact O-CB 3.31Å; Y108-T111 PolarHBondContact O-N 3.29Å; T111-R120 HydrophobicContact CG2-CB 3.67Å; T111-R120 HydrophobicContact CG2-CG 4.35Å; T111-L125 HydrophobicContact CG2-CD2 4.35Å
112A95.7Very high95.6Very high4 Ų422.4 Ų22.43%0.03312%0.12CC..Hα-helixtrans-71-45.2-175.900000112.8R45 L48 F49 Y108 S109 F110R45-A112 PolarHBondContact NH1-O 2.92Å; R45-A112 PolarHBondContact NH2-O 2.93Å; L48-A112 HydrophobicContact CD1-CB 3.69Å; F49-A112 WeakPolarHBondContact CZ-O 3.37Å; Y108-A112 HydrophobicContact CD1-CB 4.4Å; Y108-A112 HydrophobicContact CE1-CB 4.11Å; Y108-A112 VanDerWaalsContact O-CB 3.3Å; Y108-A112 WeakPolarHBondContact O-CB 3.49Å; Y108-A112 PolarHBondContact O-N 3.07Å; S109-A112 PolarHBondContact O-N 2.98Å; F110-A112 PolarHBondContact O-N 2.89Å
113R95.4Very high95.6Very high17 Ų1727.8 Ų27.86%0.06415%0.145CC..Hα-helixtrans-77.8-25.9-177.4-67.7-178.7-175-163.57.2113.8Q52 I54 S109 F110 K298 L299Q52-R113 PolarHBondContact O-NH1 2.82Å; Q52-R113 VanDerWaalsContact O-NH1 3.13Å; Q52-R113 PolarHBondContact O-NH2 2.88Å; I54-R113 PolarHBondContact O-NH2 3Å; S109-R113 WeakPolarHBondContact O-CB 3.44Å; S109-R113 WeakPolarHBondContact O-CG 3.48Å; S109-R113 PolarHBondContact O-N 2.86Å; F110-R113 PolarHBondContact O-N 2.76Å; R113-K298 HydrophobicContact CB-CB 4.44Å; R113-L299 HydrophobicContact CB-CD1 4.35Å
114L95.9Very high95.6Very high1 Ų125.1 Ų25.11%0.00513%0.132CC..Hα-helixtrans-72-31.9175.4-74.6169.6000112.6F110 A117 W118 L125 F291 D294 L295F110-L114 VanDerWaalsContact O-CB 3.28Å; F110-L114 WeakPolarHBondContact O-CB 3.42Å; F110-L114 WeakPolarHBondContact O-CD1 3.48Å; F110-L114 WeakPolarHBondContact O-CG 3.37Å; F110-L114 PolarHBondContact O-N 2.96Å; L114-A117 WeakPolarHBondContact O-CA 3.47Å; L114-A117 WeakPolarHBondContact O-CB 3.12Å; L114-A117 PolarHBondContact O-N 3.19Å; L114-W118 CarbonylContact C-O 3.47Å; L114-W118 HydrophobicContact CB-CB 4.22Å; L114-W118 PolarHBondContact O-N 2.83Å; L114-L125 HydrophobicContact CD1-CD1 4.06Å; L114-F291 HydrophobicContact CD1-CE2 3.83Å; L114-F291 HydrophobicContact CD1-CZ 3.95Å; L114-D294 HydrophobicContact CD2-CB 4.34Å; L114-L295 HydrophobicContact CD1-CD1 4.44Å; L114-L295 HydrophobicContact CD2-CB 4.39Å; L114-L295 HydrophobicContact CD2-CD1 4.39Å
115A95.6Very high95.7Very high4 Ų422.6 Ų22.63%0.03312%0.118CC..THydrogen-bonded Turntrans-70.8129.5175.200000110.9W118A115-W118 WeakPolarHBondContact CA-O 3.3Å; A115-W118 PolarHBondContact N-O 3.17Å
116P95.3Very high95.7Very high42 Ų4222.6 Ų22.627%0.27312%0.118SC..THydrogen-bonded Turncis-99.86.819.938.9-38.3000116.1N119 G128 R129 K240P116-N119 WeakPolarHBondContact CA-OD1 3.43Å; P116-N119 PolarHBondContact O-ND2 3.31Å; P116-G128 CarbonylContact O-C 3.53Å; P116-R129 HydrophobicContact CB-CB 4.5Å; P116-R129 HydrophobicContact CB-CG 4.36Å; P116-R129 VanDerWaalsContact O-CA 3.27Å; P116-R129 WeakPolarHBondContact O-CA 3.19Å; P116-R129 PolarHBondContact O-N 3.42Å; P116-K240 HydrophobicContact CB-CG 3.95Å; P116-K240 HydrophobicContact CG-CG 4.32Å
117A96.3Very high95.8Very high26 Ų2624.9 Ų24.922%0.21513%0.129CC..THydrogen-bonded Turntrans-70-36.9177.700000112L114 G128L114-A117 WeakPolarHBondContact O-CA 3.47Å; L114-A117 WeakPolarHBondContact O-CB 3.12Å; L114-A117 PolarHBondContact O-N 3.19Å; A117-G128 PolarHBondContact O-N 3.13Å
118W97.3Very high95.8Very high0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans-133.2123.5170.6-60.277.7000110.4L114 A115 L125 I126 Q127 V141 V287 F291 D294L114-W118 CarbonylContact C-O 3.47Å; L114-W118 HydrophobicContact CB-CB 4.22Å; L114-W118 PolarHBondContact O-N 2.83Å; A115-W118 WeakPolarHBondContact CA-O 3.3Å; A115-W118 PolarHBondContact N-O 3.17Å; W118-L125 HydrophobicContact CB-CB 4.16Å; W118-L125 HydrophobicContact CE3-CB 4.45Å; W118-I126 CarbonylContact C-O 3.44Å; W118-I126 WeakPolarHBondContact CA-O 3.34Å; W118-Q127 HydrophobicContact CD2-CB 4.15Å; W118-Q127 HydrophobicContact CD2-CG 4.19Å; W118-Q127 HydrophobicContact CE3-CB 3.86Å; W118-Q127 HydrophobicContact CE3-CG 4.37Å; W118-Q127 HydrophobicContact CH2-CB 3.81Å; W118-Q127 HydrophobicContact CH2-CG 3.89Å; W118-Q127 HydrophobicContact CZ2-CB 4.08Å; W118-Q127 VanDerWaalsContact CZ2-CD 3.48Å; W118-Q127 HydrophobicContact CZ2-CG 3.67Å; W118-Q127 HydrophobicContact CZ3-CB 3.7Å; W118-Q127 HydrophobicContact CZ3-CG 4.24Å; W118-V141 HydrophobicContact CE3-CG2 4.25Å; W118-V141 HydrophobicContact CH2-CG1 4.48Å; W118-V141 HydrophobicContact CZ3-CG1 4.05Å; W118-V141 HydrophobicContact CZ3-CG2 4.28Å; W118-V287 HydrophobicContact CH2-CG1 4.2Å; W118-F291 AromaticContact CD2-CD2 3.7Å; W118-F291 HydrophobicContact CD2-CD2 3.7Å; W118-F291 HydrophobicContact CD2-CE2 4.37Å; W118-F291 AromaticContact CE2-CD2 3.79Å; W118-F291 AromaticContact CE3-CD2 3.95Å; W118-F291 HydrophobicContact CE3-CD2 3.95Å; W118-F291 HydrophobicContact CG-CD2 4.13Å; W118-F291 HydrophobicContact CG-CE2 4.42Å; W118-F291 HydrophobicContact CH2-CB 3.96Å; W118-F291 HydrophobicContact CH2-CD2 4.35Å; W118-F291 HydrophobicContact CZ2-CB 3.71Å; W118-F291 HydrophobicContact CZ2-CD2 4.14Å; W118-F291 HydrophobicContact CZ2-CG 4.46Å; W118-F291 HydrophobicContact CZ3-CD2 4.25Å; W118-D294 PolarHBondContact NE1-OD2 2.96Å
119N97Very high95.7Very high0 Ų028.6 Ų28.60%015%0.146CC..EExtended strand (participates in β ladder)trans-115.1123.6-166.2-63.2-77000111.5P116 T121 L125 I126 G128 F131 Y239P116-N119 WeakPolarHBondContact CA-OD1 3.43Å; P116-N119 PolarHBondContact O-ND2 3.31Å; N119-T121 PolarHBondContact O-N 3.33Å; N119-L125 WeakPolarHBondContact O-CA 3.45Å; N119-I126 PolarHBondContact N-O 2.8Å; N119-I126 PolarHBondContact O-N 3.37Å; N119-G128 PolarHBondContact ND2-O 3.4Å; N119-F131 HydrophobicContact CB-CD1 3.87Å; N119-F131 HydrophobicContact CB-CE1 3.33Å; N119-F131 HydrophobicContact CB-CE2 4.27Å; N119-F131 HydrophobicContact CB-CZ 3.56Å; N119-F131 WeakPolarHBondContact ND2-CD1 3.37Å; N119-Y239 HydrophobicContact CB-CE1 4.16Å
120R96.4Very high95.6Very high137 Ų13732.4 Ų32.452%0.51717%0.167SC..EExtended strand (participates in β ladder)trans-69.2113.6-177.6178.6176.4176.2173.53.8112.2T111 G122 L124 L125 P203 Y239T111-R120 HydrophobicContact CG2-CB 3.67Å; T111-R120 HydrophobicContact CG2-CG 4.35Å; R120-G122 PolarHBondContact NE-O 3.36Å; R120-G122 VanDerWaalsContact NE-O 3.12Å; R120-L124 CarbonylContact C-O 3.5Å; R120-L124 VanDerWaalsContact CA-O 3.31Å; R120-L124 WeakPolarHBondContact CA-O 3.33Å; R120-L125 HydrophobicContact CB-CD2 3.81Å; R120-L125 HydrophobicContact CG-CD2 4.39Å; R120-P203 WeakPolarHBondContact O-CB 3.47Å; R120-Y239 PolarHBondContact O-OH 2.82Å
121T96.3Very high95.6Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-122.6107.3172.7-61.20000109.7N119 H123 L124 I126 L163 L202 P203 M205 Y239 I276N119-T121 PolarHBondContact O-N 3.33Å; T121-H123 PolarHBondContact O-N 3.24Å; T121-H123 VanDerWaalsContact O-N 3.16Å; T121-L124 PolarHBondContact N-O 3.32Å; T121-L124 PolarHBondContact O-N 2.95Å; T121-I126 HydrophobicContact CG2-CD1 3.95Å; T121-L163 HydrophobicContact CG2-CD2 3.65Å; T121-L202 HydrophobicContact CG2-CD2 3.51Å; T121-P203 CarbonylContact C-O 3.59Å; T121-P203 WeakPolarHBondContact CA-O 3.46Å; T121-M205 HydrophobicContact CG2-CG 3.59Å; T121-M205 HydrophobicContact CG2-SD 3.71Å; T121-Y239 PolarHBondContact OG1-OH 3.31Å; T121-I276 HydrophobicContact CG2-CD1 4.38Å
122G94.1Very high95.5Very high19 Ų1931 Ų3120%0.19616%0.158CC..THydrogen-bonded Turntrans63-109.9-170.500000111.7R120 P203R120-G122 PolarHBondContact NE-O 3.36Å; R120-G122 VanDerWaalsContact NE-O 3.12Å; G122-P203 PolarHBondContact N-O 2.99Å
123H93.1Very high95.4Very high114 Ų11433.9 Ų33.953%0.52818%0.178SC..THydrogen-bonded Turntrans-103.3-7.4174.664.7-97.4000113.5T121T121-H123 PolarHBondContact O-N 3.24Å; T121-H123 VanDerWaalsContact O-N 3.16Å
124L96.3Very high95.2Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-91.6155.8178.3-66.4174000111.4R120 T121 A140 V141 V142 I161 I276 F278R120-L124 CarbonylContact C-O 3.5Å; R120-L124 VanDerWaalsContact CA-O 3.31Å; R120-L124 WeakPolarHBondContact CA-O 3.33Å; T121-L124 PolarHBondContact N-O 3.32Å; T121-L124 PolarHBondContact O-N 2.95Å; L124-A140 HydrophobicContact CB-CB 4.47Å; L124-A140 HydrophobicContact CD1-CB 4.31Å; L124-A140 HydrophobicContact CD2-CB 4.42Å; L124-V141 WeakPolarHBondContact CA-O 3.36Å; L124-V142 HydrophobicContact CD2-CG2 3.69Å; L124-I161 HydrophobicContact CD1-CG2 4.01Å; L124-I276 HydrophobicContact CD1-CD1 4.13Å; L124-I276 HydrophobicContact CD1-CG2 3.98Å; L124-F278 HydrophobicContact CD1-CE1 4.03Å; L124-F278 HydrophobicContact CD1-CZ 3.94Å; L124-F278 HydrophobicContact CD2-CE1 4.3Å
125L97.6Very high95Very high7 Ų741.7 Ų41.74%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-105.8114.5157.2-54.6-179.9000107.9T111 L114 W118 N119 R120 A140 V141 L143 F291T111-L125 HydrophobicContact CG2-CD2 4.35Å; L114-L125 HydrophobicContact CD1-CD1 4.06Å; W118-L125 HydrophobicContact CB-CB 4.16Å; W118-L125 HydrophobicContact CE3-CB 4.45Å; N119-L125 WeakPolarHBondContact O-CA 3.45Å; R120-L125 HydrophobicContact CB-CD2 3.81Å; R120-L125 HydrophobicContact CG-CD2 4.39Å; L125-A140 CarbonylContact O-C 3.52Å; L125-A140 WeakPolarHBondContact O-CA 3.42Å; L125-A140 WeakPolarHBondContact O-CB 3.49Å; L125-V141 HydrophobicContact CB-CG2 3.96Å; L125-V141 HydrophobicContact CD1-CG2 4.26Å; L125-V141 HydrophobicContact CG-CG2 4.43Å; L125-V141 PolarHBondContact N-O 3.24Å; L125-V141 PolarHBondContact O-N 2.9Å; L125-L143 HydrophobicContact CD1-CB 4.17Å; L125-L143 HydrophobicContact CD1-CD2 3.92Å; L125-F291 HydrophobicContact CD1-CE2 3.89Å; L125-F291 HydrophobicContact CD1-CZ 4.33Å
126I96.9Very high94.9Very high0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-92.2133.8179.4-57.4176.3000109.4W118 N119 T121 F131 Q138 A140 I161 L163W118-I126 CarbonylContact C-O 3.44Å; W118-I126 WeakPolarHBondContact CA-O 3.34Å; N119-I126 PolarHBondContact N-O 2.8Å; N119-I126 PolarHBondContact O-N 3.37Å; T121-I126 HydrophobicContact CG2-CD1 3.95Å; I126-F131 HydrophobicContact CB-CD2 4.08Å; I126-F131 HydrophobicContact CD1-CD2 4.17Å; I126-F131 HydrophobicContact CD1-CE2 4.32Å; I126-F131 HydrophobicContact CG2-CB 4.02Å; I126-F131 HydrophobicContact CG2-CD2 3.91Å; I126-F131 HydrophobicContact CG2-CG 4.24Å; I126-Q138 HydrophobicContact CG2-CB 4.32Å; I126-A140 HydrophobicContact CG1-CB 4.26Å; I126-I161 HydrophobicContact CD1-CD1 3.89Å; I126-I161 HydrophobicContact CG1-CD1 4.16Å; I126-I161 HydrophobicContact CG2-CD1 4.18Å; I126-L163 HydrophobicContact CD1-CD2 3.78Å
127Q96.6Very high94.8Very high49 Ų4947.7 Ų47.723%0.22925%0.247CC..EExtended strand (participates in β ladder)trans-74.2143.8-178.8-165.6175.119.100112.6W118 S139 S290W118-Q127 HydrophobicContact CD2-CB 4.15Å; W118-Q127 HydrophobicContact CD2-CG 4.19Å; W118-Q127 HydrophobicContact CE3-CB 3.86Å; W118-Q127 HydrophobicContact CE3-CG 4.37Å; W118-Q127 HydrophobicContact CH2-CB 3.81Å; W118-Q127 HydrophobicContact CH2-CG 3.89Å; W118-Q127 HydrophobicContact CZ2-CB 4.08Å; W118-Q127 VanDerWaalsContact CZ2-CD 3.48Å; W118-Q127 HydrophobicContact CZ2-CG 3.67Å; W118-Q127 HydrophobicContact CZ3-CB 3.7Å; W118-Q127 HydrophobicContact CZ3-CG 4.24Å; Q127-S139 WeakPolarHBondContact CB-O 3.23Å; Q127-S139 PolarHBondContact N-O 3.06Å; Q127-S139 PolarHBondContact OE1-OG 3.22Å; Q127-S290 PolarHBondContact NE2-OG 2.76Å
128G95Very high94.7Very high29 Ų2947.4 Ų47.430%0.29924%0.241SC..SBendtrans103.1138.4167.700000113.9P116 A117 N119 D130 F131P116-G128 CarbonylContact O-C 3.53Å; A117-G128 PolarHBondContact O-N 3.13Å; N119-G128 PolarHBondContact ND2-O 3.4Å; G128-D130 VanDerWaalsContact C-N 3.31Å; G128-D130 PolarHBondContact O-N 2.78Å; G128-F131 WeakPolarHBondContact O-CD1 3.31Å
129R94.3Very high94.7Very high120 Ų12049 Ų4945%0.45325%0.251SS..THydrogen-bonded Turntrans-55.2-46.5178.6174.9-172.1161.2158.2-4.6112P116 K240 E243P116-R129 HydrophobicContact CB-CB 4.5Å; P116-R129 HydrophobicContact CB-CG 4.36Å; P116-R129 VanDerWaalsContact O-CA 3.27Å; P116-R129 WeakPolarHBondContact O-CA 3.19Å; P116-R129 PolarHBondContact O-N 3.42Å; R129-K240 HydrophobicContact CG-CB 4.07Å; R129-K240 HydrophobicContact CG-CG 3.89Å; R129-E243 IonicContact NH2-OE1 2.68Å; R129-E243 PolarHBondContact NH2-OE1 3.12Å
130D92.6Very high94.6Very high79 Ų7949 Ų4942%0.42225%0.251SS..THydrogen-bonded Turntrans-103.523-167.5-44.6-73.3000112.4G128 L132 S133G128-D130 VanDerWaalsContact C-N 3.31Å; G128-D130 PolarHBondContact O-N 2.78Å; D130-L132 PolarHBondContact O-N 2.76Å; D130-S133 PolarHBondContact O-N 2.83Å
131F94.6Very high94.6Very high2 Ų242.4 Ų42.41%0.00923%0.227CC..G310 helixtrans-52.6-24.2-179.180.9-75.1000114N119 I126 G128 S133 Q134 Y239N119-F131 HydrophobicContact CB-CD1 3.87Å; N119-F131 HydrophobicContact CB-CE1 3.33Å; N119-F131 HydrophobicContact CB-CE2 4.27Å; N119-F131 HydrophobicContact CB-CZ 3.56Å; N119-F131 WeakPolarHBondContact ND2-CD1 3.37Å; I126-F131 HydrophobicContact CB-CD2 4.08Å; I126-F131 HydrophobicContact CD1-CD2 4.17Å; I126-F131 HydrophobicContact CD1-CE2 4.32Å; I126-F131 HydrophobicContact CG2-CB 4.02Å; I126-F131 HydrophobicContact CG2-CD2 3.91Å; I126-F131 HydrophobicContact CG2-CG 4.24Å; G128-F131 WeakPolarHBondContact O-CD1 3.31Å; F131-S133 PolarHBondContact O-N 3.45Å; F131-Q134 PolarHBondContact O-N 2.89Å; F131-Y239 HydrophobicContact CE1-CD2 4.47Å; F131-Y239 HydrophobicContact CE1-CE2 4.4Å; F131-Y239 HydrophobicContact CE2-CE2 4.43Å; F131-Y239 HydrophobicContact CZ-CD1 4.45Å; F131-Y239 HydrophobicContact CZ-CD2 4.05Å; F131-Y239 HydrophobicContact CZ-CE1 4.03Å; F131-Y239 AromaticContact CZ-CE2 3.57Å; F131-Y239 HydrophobicContact CZ-CE2 3.57Å; F131-Y239 HydrophobicContact CZ-CG 4.46Å; F131-Y239 AromaticContact CZ-CZ 3.55Å
132L93.9Very high94.6Very high2 Ų243.2 Ų43.21%0.0123%0.232CC..G310 helixtrans-62.7-26175.6-65.7177.1000113.7D130 P165 L202 Y239 L241 R272D130-L132 PolarHBondContact O-N 2.76Å; L132-P165 WeakPolarHBondContact O-CB 3.46Å; L132-P165 WeakPolarHBondContact O-CD 3.44Å; L132-P165 WeakPolarHBondContact O-CG 3.32Å; L132-L202 HydrophobicContact CD2-CD1 3.53Å; L132-Y239 HydrophobicContact CD1-CD2 4.01Å; L132-Y239 HydrophobicContact CD2-CD2 3.95Å; L132-Y239 HydrophobicContact CD2-CE2 3.88Å; L132-Y239 HydrophobicContact CG-CD2 4.43Å; L132-L241 HydrophobicContact CD1-CD2 3.55Å; L132-R272 PolarHBondContact O-NH2 2.77Å
133S92.3Very high94.6Very high63 Ų6343.7 Ų43.744%0.44123%0.229SC..G310 helixtrans-98.2-5.8-179.1-58.80000113.3D130 F131 M135D130-S133 PolarHBondContact O-N 2.83Å; F131-S133 PolarHBondContact O-N 3.45Å; S133-M135 PolarHBondContact O-N 3.06Å
134Q92.6Very high94.7Very high93 Ų9341.2 Ų41.244%0.43522%0.22SC..  trans-81.4116.3-167.3-69.4-64.9-15.300112.7F131 Q138F131-Q134 PolarHBondContact O-N 2.89Å; Q134-Q138 HydrophobicContact CB-CG 4.1Å
135M91.6Very high94.6Very high89 Ų8942 Ų4244%0.43822%0.224SC..  trans-73.4-26.1174.7-75.8-79.811200113.7S133 R162 P164 P165S133-M135 PolarHBondContact O-N 3.06Å; M135-R162 PolarHBondContact O-NE 2.83Å; M135-R162 PolarHBondContact O-NH2 3.28Å; M135-P164 HydrophobicContact CE-CB 3.74Å; M135-P164 HydrophobicContact SD-CB 4.45Å; M135-P165 HydrophobicContact CE-CG 3.74Å; M135-P165 WeakPolarHBondContact CE-O 3.48Å
136G92.6Very high94.4Very high33 Ų3343.4 Ų43.434%0.3423%0.232SC..SBendtrans-92.5-171.6-166.200000115.5
137K93.9Very high94.2Very high140 Ų14043.8 Ų43.861%0.60923%0.234SC*.EExtended strand (participates in β ladder)trans-69142.4167.9-67.4178.8-176.3175.60109.8T160 I161 F279K137-T160 HydrophobicContact CB-CG2 3.86Å; K137-T160 HydrophobicContact CD-CG2 4.14Å; K137-T160 HydrophobicContact CG-CG2 4.25Å; K137-I161 CarbonylContact C-O 3.6Å; K137-I161 WeakPolarHBondContact CA-O 3.45Å; K137-F279 HydrophobicContact CD-CD1 4.46Å; K137-F279 HydrophobicContact CD-CG 4.39Å; K137-F279 HydrophobicContact CG-CD2 4.26Å; K137-F279 HydrophobicContact CG-CE2 4.23Å; K137-F279 HydrophobicContact CG-CZ 4.45Å
138Q94.5Very high93.9Very high20 Ų2043.3 Ų43.39%0.09323%0.234CC..EExtended strand (participates in β ladder)trans-138147.8-177.9-65.9175.588.200110.1I126 Q134 T160 I161I126-Q138 HydrophobicContact CG2-CB 4.32Å; Q134-Q138 HydrophobicContact CB-CG 4.1Å; Q138-T160 WeakPolarHBondContact O-CA 3.38Å; Q138-I161 HydrophobicContact CB-CD1 4.21Å; Q138-I161 PolarHBondContact N-O 3.4Å; Q138-I161 PolarHBondContact O-N 2.63Å
139S95.6Very high93.4Very high32 Ų3248.1 Ų48.122%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-66.9141.8168.8-44.80000110.6Q127Q127-S139 WeakPolarHBondContact CB-O 3.23Å; Q127-S139 PolarHBondContact N-O 3.06Å; Q127-S139 PolarHBondContact OE1-OG 3.22Å
140A96.3Very high92.8Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-145.4162.4166.800000110.2L124 L125 I126 C159 I161L124-A140 HydrophobicContact CB-CB 4.47Å; L124-A140 HydrophobicContact CD1-CB 4.31Å; L124-A140 HydrophobicContact CD2-CB 4.42Å; L125-A140 CarbonylContact O-C 3.52Å; L125-A140 WeakPolarHBondContact O-CA 3.42Å; L125-A140 WeakPolarHBondContact O-CB 3.49Å; I126-A140 HydrophobicContact CG1-CB 4.26Å; A140-C159 HydrophobicContact CB-CB 4.25Å; A140-C159 PolarHBondContact N-O 3.46Å; A140-C159 WeakPolarHBondContact O-CA 3.28Å; A140-C159 PolarHBondContact O-N 2.77Å; A140-C159 VanDerWaalsContact O-O 3.07Å; A140-I161 HydrophobicContact CB-CG1 3.75Å; A140-I161 HydrophobicContact CB-CG2 4.38Å
141V96.1Very high92.6Very high0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-128.4144.9168-62.70000111.2W118 L124 L125 I156 E157 V287 F291W118-V141 HydrophobicContact CE3-CG2 4.25Å; W118-V141 HydrophobicContact CH2-CG1 4.48Å; W118-V141 HydrophobicContact CZ3-CG1 4.05Å; W118-V141 HydrophobicContact CZ3-CG2 4.28Å; L124-V141 WeakPolarHBondContact CA-O 3.36Å; L125-V141 HydrophobicContact CB-CG2 3.96Å; L125-V141 HydrophobicContact CD1-CG2 4.26Å; L125-V141 HydrophobicContact CG-CG2 4.43Å; L125-V141 PolarHBondContact N-O 3.24Å; L125-V141 PolarHBondContact O-N 2.9Å; V141-I156 HydrophobicContact CB-CG2 3.87Å; V141-I156 HydrophobicContact CG1-CG2 3.86Å; V141-I156 HydrophobicContact CG2-CG2 4.43Å; V141-E157 CarbonylContact C-O 3.57Å; V141-E157 VanDerWaalsContact CA-O 3.28Å; V141-E157 WeakPolarHBondContact CA-O 3.44Å; V141-V287 HydrophobicContact CG1-CG1 3.84Å; V141-F291 HydrophobicContact CG1-CB 4.45Å; V141-F291 HydrophobicContact CG1-CD2 4.42Å; V141-F291 HydrophobicContact CG1-CG 4.37Å; V141-F291 HydrophobicContact CG2-CD2 3.65Å; V141-F291 HydrophobicContact CG2-CE2 3.68Å; V141-F291 HydrophobicContact CG2-CG 4.26Å; V141-F291 HydrophobicContact CG2-CZ 4.31Å
142V95.4Very high92.6Very high17 Ų1744.8 Ų44.810%0.10324%0.243CC..EExtended strand (participates in β ladder)trans-83.2133.1152.9-165.90000106.8L124 I156 E157L124-V142 HydrophobicContact CD2-CG2 3.69Å; V142-I156 WeakPolarHBondContact O-CA 3.42Å; V142-E157 HydrophobicContact CB-CB 3.92Å; V142-E157 HydrophobicContact CG2-CB 4.04Å; V142-E157 HydrophobicContact CG2-CG 4.5Å; V142-E157 PolarHBondContact N-O 3.18Å; V142-E157 PolarHBondContact O-N 3.09Å
143L95.1Very high92.5Very high28 Ų2845.1 Ų45.115%0.14725%0.245CC..EExtended strand (participates in β ladder)trans-123.4115.5176.9176.366.6000109.7L125 I145 L154 I156 F291L125-L143 HydrophobicContact CD1-CB 4.17Å; L125-L143 HydrophobicContact CD1-CD2 3.92Å; L143-I145 HydrophobicContact CD1-CG1 4.3Å; L143-I145 HydrophobicContact CD2-CD1 4.01Å; L143-I145 HydrophobicContact CD2-CG1 4.42Å; L143-I145 HydrophobicContact CG-CD1 4.25Å; L143-I145 HydrophobicContact CG-CG1 4.14Å; L143-L154 HydrophobicContact CD1-CB 4.21Å; L143-I156 HydrophobicContact CD1-CD1 4.48Å; L143-I156 HydrophobicContact CD1-CG1 3.99Å; L143-F291 HydrophobicContact CD1-CE1 4.45Å; L143-F291 HydrophobicContact CD1-CZ 4.37Å; L143-F291 HydrophobicContact CD2-CZ 4.06Å
144N94.1Very high92.6Very high63 Ų6342.1 Ų42.134%0.33722%0.224SC..EExtended strand (participates in β ladder)trans-109.7133170.1-63.7-63.8000109.3L154 S155 F439N144-L154 CarbonylContact O-C 3.52Å; N144-L154 WeakPolarHBondContact O-CA 3.39Å; N144-S155 PolarHBondContact N-O 2.87Å; N144-S155 PolarHBondContact O-N 2.84Å; N144-F439 HydrophobicContact CB-CD1 3.91Å; N144-F439 HydrophobicContact CB-CE1 3.86Å
145I94.4Very high92.7Very high15 Ų1537.7 Ų37.78%0.07720%0.203CC..EExtended strand (participates in β ladder)trans-118.5126.4-179.4-64.8160.2000108.3Q103 F110 L143 V147 V152 L154Q103-I145 VanDerWaalsContact CD-O 3.24Å; Q103-I145 HydrophobicContact CG-CG2 4.47Å; Q103-I145 WeakPolarHBondContact CG-O 3.18Å; Q103-I145 PolarHBondContact NE2-O 3.24Å; F110-I145 HydrophobicContact CB-CD1 4.43Å; F110-I145 HydrophobicContact CD2-CD1 3.85Å; F110-I145 HydrophobicContact CE2-CD1 4.43Å; F110-I145 HydrophobicContact CG-CD1 4.26Å; L143-I145 HydrophobicContact CD1-CG1 4.3Å; L143-I145 HydrophobicContact CD2-CD1 4.01Å; L143-I145 HydrophobicContact CD2-CG1 4.42Å; L143-I145 HydrophobicContact CG-CD1 4.25Å; L143-I145 HydrophobicContact CG-CG1 4.14Å; I145-V147 HydrophobicContact CG2-CG2 4.24Å; I145-V152 HydrophobicContact CG2-CG1 3.7Å; I145-L154 HydrophobicContact CG1-CD2 3.83Å
146N94.1Very high92.8Very high37 Ų3733.5 Ų33.520%0.19818%0.182CC..EExtended strand (participates in β ladder)trans-122.1139172.1-165.1-7.4000109.4Q103 V152 C153 P437 F439Q103-N146 PolarHBondContact OE1-OD1 2.93Å; N146-V152 WeakPolarHBondContact O-CA 3.27Å; N146-C153 PolarHBondContact N-O 3.32Å; N146-C153 PolarHBondContact O-N 3.08Å; N146-P437 HydrophobicContact CB-CB 4Å; N146-P437 VanDerWaalsContact ND2-CB 3.27Å; N146-P437 WeakPolarHBondContact ND2-CB 3.43Å; N146-F439 HydrophobicContact CB-CE1 3.9Å; N146-F439 HydrophobicContact CB-CZ 4.27Å
147V93.2Very high92.8Very high8 Ų833.3 Ų33.35%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-123.4123.9-175.2-179.80000109.7L14 P99 L102 Q103 L106 I145 V152L14-V147 HydrophobicContact CD2-CG1 4.45Å; P99-V147 HydrophobicContact CB-CB 4.43Å; P99-V147 HydrophobicContact CB-CG1 4.11Å; P99-V147 WeakPolarHBondContact CB-O 3.28Å; L102-V147 HydrophobicContact CB-CG1 4.4Å; L102-V147 HydrophobicContact CD2-CG1 4Å; L102-V147 HydrophobicContact CG-CG1 4.21Å; Q103-V147 HydrophobicContact CB-CB 4.03Å; Q103-V147 HydrophobicContact CB-CG2 3.61Å; Q103-V147 HydrophobicContact CG-CG2 4.02Å; Q103-V147 VanDerWaalsContact OE1-N 3.08Å; L106-V147 HydrophobicContact CD1-CG2 3.79Å; I145-V147 HydrophobicContact CG2-CG2 4.24Å; V147-V152 HydrophobicContact CG1-CG2 4.48Å; V147-V152 HydrophobicContact CG2-CG1 4.08Å; V147-V152 HydrophobicContact CG2-CG2 4.18Å
148T88.9Confident92.8Very high39 Ų3927.2 Ų27.224%0.23915%0.148CC..  trans-98.2179.8164.772.30000109.6T150 Q151 F435T148-T150 PolarHBondContact O-N 2.98Å; T148-T150 PolarHBondContact OG1-N 2.82Å; T148-T150 PolarHBondContact OG1-OG1 3.13Å; T148-Q151 PolarHBondContact N-O 3.36Å; T148-Q151 PolarHBondContact OG1-N 2.94Å; T148-Q151 PolarHBondContact OG1-O 3.41Å; T148-F435 HydrophobicContact CG2-CD1 4.22Å
149E84.4Confident92.8Very high130 Ų13026.3 Ų26.361%0.60714%0.144SC*.SBendtrans-67.5-16.8174.9-57.7-164.8145.900113.6L17 P99L17-E149 HydrophobicContact CD1-CB 4.27Å; P99-E149 HydrophobicContact CG-CG 3.94Å
150T83.4Confident92.7Very high89 Ų8925.8 Ų25.855%0.54614%0.14SC..SBendtrans-118.4-26.6-171.856.60000114.5L14 T148L14-T150 WeakPolarHBondContact CB-O 3.39Å; T148-T150 PolarHBondContact O-N 2.98Å; T148-T150 PolarHBondContact OG1-N 2.82Å; T148-T150 PolarHBondContact OG1-OG1 3.13Å
151Q88.2Confident92.7Very high43 Ų4325.8 Ų25.820%0.20114%0.14CC..EExtended strand (participates in β ladder)trans-147.4155.5-172.3-63.4-174.86.100111.9T148T148-Q151 PolarHBondContact N-O 3.36Å; T148-Q151 PolarHBondContact OG1-N 2.94Å; T148-Q151 PolarHBondContact OG1-O 3.41Å
152V92.9Very high92.6Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-108.7129.6166.9-173.40000108.8F11 I12 L14 L106 I145 N146 V147 L154F11-V152 CarbonylContact C-O 3.52Å; F11-V152 WeakPolarHBondContact CA-O 2.93Å; I12-V152 HydrophobicContact CB-CB 4.13Å; I12-V152 HydrophobicContact CG1-CB 4.42Å; I12-V152 PolarHBondContact N-O 3.43Å; I12-V152 PolarHBondContact O-N 2.82Å; L14-V152 HydrophobicContact CD1-CG2 3.61Å; L106-V152 HydrophobicContact CD1-CG1 4.24Å; L106-V152 HydrophobicContact CD1-CG2 3.79Å; I145-V152 HydrophobicContact CG2-CG1 3.7Å; N146-V152 WeakPolarHBondContact O-CA 3.27Å; V147-V152 HydrophobicContact CG1-CG2 4.48Å; V147-V152 HydrophobicContact CG2-CG1 4.08Å; V147-V152 HydrophobicContact CG2-CG2 4.18Å; V152-L154 HydrophobicContact CG1-CD2 4.22Å
153C93.6Very high92.6Very high8 Ų829.4 Ų29.45%0.05415%0.152CC..EExtended strand (participates in β ladder)trans-103.8128.6170-171.50000110.4F10 F11 N146 P437F10-C153 WeakPolarHBondContact O-CA 3.4Å; F11-C153 HydrophobicContact CD1-CB 4.07Å; F11-C153 HydrophobicContact CE1-CB 3.9Å; N146-C153 PolarHBondContact N-O 3.32Å; N146-C153 PolarHBondContact O-N 3.08Å; C153-P437 HydrophobicContact CB-CB 4.28Å; C153-P437 HydrophobicContact CB-CG 4Å
154L94.3Very high92.6Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-98.1122.6166.6-42.9-179.7000107.7L9 F10 I12 F110 L143 N144 I145 V152 I156 L295L9-L154 CarbonylContact C-O 3.44Å; L9-L154 VanDerWaalsContact CA-O 3.3Å; L9-L154 WeakPolarHBondContact CA-O 3.45Å; F10-L154 HydrophobicContact CB-CB 4.37Å; F10-L154 HydrophobicContact CB-CD1 4.42Å; F10-L154 PolarHBondContact N-O 3.01Å; F10-L154 PolarHBondContact O-N 3Å; I12-L154 HydrophobicContact CD1-CD1 4.18Å; I12-L154 HydrophobicContact CD1-CD2 4.11Å; I12-L154 HydrophobicContact CD1-CG 4.28Å; I12-L154 HydrophobicContact CG1-CD1 4.49Å; I12-L154 HydrophobicContact CG1-CG 4.41Å; F110-L154 HydrophobicContact CE2-CD2 3.92Å; L143-L154 HydrophobicContact CD1-CB 4.21Å; N144-L154 CarbonylContact O-C 3.52Å; N144-L154 WeakPolarHBondContact O-CA 3.39Å; I145-L154 HydrophobicContact CG1-CD2 3.83Å; V152-L154 HydrophobicContact CG1-CD2 4.22Å; L154-I156 HydrophobicContact CB-CD1 4.2Å; L154-I156 HydrophobicContact CB-CG1 4.01Å; L154-I156 HydrophobicContact CD1-CD1 4.31Å; L154-L295 HydrophobicContact CD1-CD2 3.61Å
155S93.7Very high92.5Very high1 Ų127 Ų271%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-97.6122.9159168.10000108.3Q7 N144 F439Q7-S155 VanDerWaalsContact CD-OG 3.3Å; Q7-S155 PolarHBondContact OE1-OG 2.86Å; N144-S155 PolarHBondContact N-O 2.87Å; N144-S155 PolarHBondContact O-N 2.84Å; S155-F439 VanDerWaalsContact CB-CZ 3.41Å
156I94.3Very high92.5Very high0 Ų026.5 Ų26.50%014%0.139CC..EExtended strand (participates in β ladder)trans-123124.7-174.8-44.1-178.7000109.4S8 F10 V141 V142 L143 L154 L288 F291 L292S8-I156 PolarHBondContact N-O 3.46Å; S8-I156 PolarHBondContact O-N 3.3Å; F10-I156 HydrophobicContact CD2-CD1 3.58Å; F10-I156 HydrophobicContact CD2-CG1 4.07Å; F10-I156 HydrophobicContact CE2-CD1 3.95Å; F10-I156 HydrophobicContact CE2-CG1 4.45Å; F10-I156 HydrophobicContact CG-CD1 4.49Å; V141-I156 HydrophobicContact CB-CG2 3.87Å; V141-I156 HydrophobicContact CG1-CG2 3.86Å; V141-I156 HydrophobicContact CG2-CG2 4.43Å; V142-I156 WeakPolarHBondContact O-CA 3.42Å; L143-I156 HydrophobicContact CD1-CD1 4.48Å; L143-I156 HydrophobicContact CD1-CG1 3.99Å; L154-I156 HydrophobicContact CB-CD1 4.2Å; L154-I156 HydrophobicContact CB-CG1 4.01Å; L154-I156 HydrophobicContact CD1-CD1 4.31Å; I156-L288 HydrophobicContact CB-CD2 3.83Å; I156-L288 HydrophobicContact CG2-CD2 3.51Å; I156-F291 HydrophobicContact CD1-CD1 3.85Å; I156-F291 HydrophobicContact CD1-CE1 3.75Å; I156-F291 HydrophobicContact CG2-CD1 4.44Å; I156-L292 HydrophobicContact CD1-CD2 4.09Å
157E93.3Very high92.5Very high29 Ų2929 Ų2914%0.13615%0.15CC..EExtended strand (participates in β ladder)trans-113.1108.6177.2-170.8-170.1127.700109.3R5 V141 V142R5-E157 HydrophobicContact CB-CG 3.64Å; R5-E157 VanDerWaalsContact CD-OE1 3.26Å; R5-E157 WeakPolarHBondContact CD-OE1 2.91Å; R5-E157 IonicContact CZ-OE1 3.81Å; R5-E157 IonicContact NE-OE1 3.8Å; R5-E157 IonicContact NH1-OE1 3.61Å; R5-E157 PolarHBondContact NH1-OE1 3Å; V141-E157 CarbonylContact C-O 3.57Å; V141-E157 VanDerWaalsContact CA-O 3.28Å; V141-E157 WeakPolarHBondContact CA-O 3.44Å; V142-E157 HydrophobicContact CB-CB 3.92Å; V142-E157 HydrophobicContact CG2-CB 4.04Å; V142-E157 HydrophobicContact CG2-CG 4.5Å; V142-E157 PolarHBondContact N-O 3.18Å; V142-E157 PolarHBondContact O-N 3.09Å
158A93.6Very high92.5Very high12 Ų1229.1 Ų29.110%0.09915%0.15CC..EExtended strand (participates in β ladder)trans-71133.7177.500000111.2V282 V287 L288A158-V282 HydrophobicContact CB-CG1 4.13Å; A158-V287 HydrophobicContact CB-CB 4.12Å; A158-V287 HydrophobicContact CB-CG1 3.86Å; A158-L288 HydrophobicContact CB-CG 4.33Å
159C93.3Very high92.7Very high1 Ų133.2 Ų33.21%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-132.9147.9-177.3-67.30000110.9R5 A140 I161R5-C159 PolarHBondContact NH1-SG 2.81Å; R5-C159 VanDerWaalsContact NH1-SG 3.44Å; A140-C159 HydrophobicContact CB-CB 4.25Å; A140-C159 PolarHBondContact N-O 3.46Å; A140-C159 WeakPolarHBondContact O-CA 3.28Å; A140-C159 PolarHBondContact O-N 2.77Å; A140-C159 VanDerWaalsContact O-O 3.07Å; C159-I161 HydrophobicContact CB-CG2 4.17Å
160T94.8Very high93.1Very high22 Ų2229.5 Ų29.514%0.13515%0.147CC..EExtended strand (participates in β ladder)trans-111.4124.7160.6-60.60000108.3K137 Q138 F279K137-T160 HydrophobicContact CB-CG2 3.86Å; K137-T160 HydrophobicContact CD-CG2 4.14Å; K137-T160 HydrophobicContact CG-CG2 4.25Å; Q138-T160 WeakPolarHBondContact O-CA 3.38Å; T160-F279 HydrophobicContact CG2-CB 4.29Å; T160-F279 HydrophobicContact CG2-CD2 4.48Å; T160-F279 PolarHBondContact O-N 3.16Å
161I94.9Very high93.6Very high0 Ų025.3 Ų25.30%012%0.121CC..EExtended strand (participates in β ladder)trans-128.7165.5-17563.381.2000112L124 I126 K137 Q138 A140 C159 L163 I276 Q277 F278L124-I161 HydrophobicContact CD1-CG2 4.01Å; I126-I161 HydrophobicContact CD1-CD1 3.89Å; I126-I161 HydrophobicContact CG1-CD1 4.16Å; I126-I161 HydrophobicContact CG2-CD1 4.18Å; K137-I161 CarbonylContact C-O 3.6Å; K137-I161 WeakPolarHBondContact CA-O 3.45Å; Q138-I161 HydrophobicContact CB-CD1 4.21Å; Q138-I161 PolarHBondContact N-O 3.4Å; Q138-I161 PolarHBondContact O-N 2.63Å; A140-I161 HydrophobicContact CB-CG1 3.75Å; A140-I161 HydrophobicContact CB-CG2 4.38Å; C159-I161 HydrophobicContact CB-CG2 4.17Å; I161-L163 HydrophobicContact CD1-CB 4.22Å; I161-I276 HydrophobicContact CB-CG2 3.79Å; I161-I276 HydrophobicContact CG1-CG2 4.42Å; I161-I276 HydrophobicContact CG2-CG2 3.82Å; I161-Q277 CarbonylContact C-O 3.58Å; I161-Q277 WeakPolarHBondContact CA-O 3.38Å; I161-Q277 WeakPolarHBondContact CB-O 3.41Å; I161-F278 HydrophobicContact CG2-CD1 3.59Å; I161-F278 HydrophobicContact CG2-CE1 3.8Å; I161-F278 HydrophobicContact CG2-CG 4.18Å
162R95.3Very high93.9Very high91 Ų9128.9 Ų28.934%0.34314%0.138SC..EExtended strand (participates in β ladder)trans-133.1134.2166.9-176.7179.1-177.7-1420.8108.8M135 Q277 F279M135-R162 PolarHBondContact O-NE 2.83Å; M135-R162 PolarHBondContact O-NH2 3.28Å; R162-Q277 HydrophobicContact CB-CB 4.25Å; R162-Q277 PolarHBondContact N-O 3.14Å; R162-Q277 PolarHBondContact O-N 3.32Å; R162-F279 HydrophobicContact CB-CE2 3.56Å; R162-F279 HydrophobicContact CB-CZ 4.12Å
163L95.1Very high94Very high2 Ų229.2 Ų29.21%0.0114%0.14CC..  trans-148.867.4-176.2-170.265.4000110.2T121 I126 I161 L202 M205 R272 I276T121-L163 HydrophobicContact CG2-CD2 3.65Å; I126-L163 HydrophobicContact CD1-CD2 3.78Å; I161-L163 HydrophobicContact CD1-CB 4.22Å; L163-L202 HydrophobicContact CD2-CD2 4.37Å; L163-M205 HydrophobicContact CD1-CE 3.96Å; L163-M205 HydrophobicContact CD2-SD 4.41Å; L163-R272 HydrophobicContact CD1-CB 4.32Å; L163-R272 HydrophobicContact CD1-CG 3.81Å; L163-R272 HydrophobicContact CG-CG 3.97Å; L163-R272 PolarHBondContact O-NE 3.36Å; L163-R272 PolarHBondContact O-NH2 2.9Å; L163-I276 HydrophobicContact CD1-CB 4.46Å; L163-I276 HydrophobicContact CD1-CG1 3.78Å; L163-I276 HydrophobicContact CD2-CG1 4.15Å; L163-I276 HydrophobicContact CG-CG1 4.46Å
164P94.3Very high94Very high13 Ų1331.6 Ų31.68%0.08416%0.156CC..PPolyproline II helixtrans-71.7138.8-168.731.7-31.1000110.3M135 R272M135-P164 HydrophobicContact CE-CB 3.74Å; M135-P164 HydrophobicContact SD-CB 4.45Å; P164-R272 WeakPolarHBondContact O-CD 3.45Å; P164-R272 PolarHBondContact O-NE 3.31Å
165P93.4Very high94Very high26 Ų2636.2 Ų36.217%0.16919%0.186CC..PPolyproline II helixtrans-57.1139.8166.126.1-35.4000110.2L132 M135L132-P165 WeakPolarHBondContact O-CB 3.46Å; L132-P165 WeakPolarHBondContact O-CD 3.44Å; L132-P165 WeakPolarHBondContact O-CG 3.32Å; M135-P165 HydrophobicContact CE-CG 3.74Å; M135-P165 WeakPolarHBondContact CE-O 3.48Å
166P94.1Very high94Very high6 Ų639.3 Ų39.34%0.03921%0.208CC..PPolyproline II helixtrans-80.8146.3-17031.1-33.8000112.8E170 F171 L268 I271P166-E170 WeakPolarHBondContact CA-OE1 3.43Å; P166-F171 HydrophobicContact CB-CE2 4.29Å; P166-F171 HydrophobicContact CB-CZ 3.82Å; P166-F171 HydrophobicContact CG-CE2 4.47Å; P166-F171 HydrophobicContact CG-CZ 3.93Å; P166-L268 HydrophobicContact CG-CD1 3.95Å; P166-L268 HydrophobicContact CG-CG 4.42Å; P166-I271 WeakPolarHBondContact CD-O 3.49Å; P166-I271 HydrophobicContact CG-CD1 4.34Å; P166-I271 HydrophobicContact CG-CG1 3.99Å
167E93Very high94Very high90 Ų9041.7 Ų41.742%0.42122%0.22SC..PPolyproline II helixtrans-92149.8167-65.6-176.9-115.600111.4K169 E170E167-K169 HydrophobicContact CB-CD 4.28Å; E167-K169 HydrophobicContact CB-CG 4.01Å; E167-K169 VanDerWaalsContact CD-CE 3.42Å; E167-K169 PolarHBondContact O-N 2.93Å; E167-K169 VanDerWaalsContact O-N 3.12Å; E167-K169 WeakPolarHBondContact OE1-CE 3.44Å; E167-K169 IonicContact OE1-NZ 2.67Å; E167-K169 PolarHBondContact OE1-NZ 2.85Å; E167-K169 VanDerWaalsContact OE2-CE 3.24Å; E167-K169 WeakPolarHBondContact OE2-CE 3.33Å; E167-K169 IonicContact OE2-NZ 3.94Å; E167-K169 PolarHBondContact OE2-NZ 2.83Å; E167-E170 HydrophobicContact CB-CG 4.49Å; E167-E170 PolarHBondContact N-OE1 2.86Å; E167-E170 WeakPolarHBondContact O-CB 3.17Å; E167-E170 PolarHBondContact O-N 2.55Å
168L93.1Very high94Very high10 Ų1041.5 Ų41.55%0.05222%0.22CC..G310 helixtrans-58.1-30.4-178.6-64.6-179.4000113.6E170 F171 I178 F181 I189 I213 I250L168-E170 PolarHBondContact O-N 2.96Å; L168-F171 PolarHBondContact O-N 3.49Å; L168-I178 HydrophobicContact CB-CD1 4.09Å; L168-I178 HydrophobicContact CB-CG1 4.22Å; L168-I178 HydrophobicContact CB-CG2 4.47Å; L168-I178 HydrophobicContact CD1-CG2 4.34Å; L168-F181 HydrophobicContact CD1-CD1 3.72Å; L168-F181 HydrophobicContact CD1-CE1 3.83Å; L168-I189 HydrophobicContact CD1-CD1 4.33Å; L168-I213 HydrophobicContact CD2-CD1 3.87Å; L168-I213 HydrophobicContact CD2-CG2 4.11Å; L168-I250 HydrophobicContact CD1-CD1 4.26Å; L168-I250 HydrophobicContact CD2-CG2 4.38Å
169K93Very high94Very high124 Ų12447.9 Ų47.954%0.53925%0.246SC..G310 helixtrans-60.6-24.3176.274.7-166.8-177.2-156.60113.5E167 F171 E172 I178E167-K169 HydrophobicContact CB-CD 4.28Å; E167-K169 HydrophobicContact CB-CG 4.01Å; E167-K169 VanDerWaalsContact CD-CE 3.42Å; E167-K169 PolarHBondContact O-N 2.93Å; E167-K169 VanDerWaalsContact O-N 3.12Å; E167-K169 WeakPolarHBondContact OE1-CE 3.44Å; E167-K169 IonicContact OE1-NZ 2.67Å; E167-K169 PolarHBondContact OE1-NZ 2.85Å; E167-K169 VanDerWaalsContact OE2-CE 3.24Å; E167-K169 WeakPolarHBondContact OE2-CE 3.33Å; E167-K169 IonicContact OE2-NZ 3.94Å; E167-K169 PolarHBondContact OE2-NZ 2.83Å; K169-F171 VanDerWaalsContact C-N 3.26Å; K169-F171 PolarHBondContact O-N 2.78Å; K169-E172 PolarHBondContact O-N 2.86Å; K169-I178 HydrophobicContact CB-CD1 4.48Å
170E93.6Very high93.9Very high52 Ų5252.2 Ų52.224%0.24327%0.269CS..G310 helixtrans-76.1-14.5-178.6-63177.4-119.100113.1P166 E167 L168 E172 S273P166-E170 WeakPolarHBondContact CA-OE1 3.43Å; E167-E170 HydrophobicContact CB-CG 4.49Å; E167-E170 PolarHBondContact N-OE1 2.86Å; E167-E170 WeakPolarHBondContact O-CB 3.17Å; E167-E170 PolarHBondContact O-N 2.55Å; L168-E170 PolarHBondContact O-N 2.96Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-S273 VanDerWaalsContact OE2-CB 3.28Å; E170-S273 WeakPolarHBondContact OE2-CB 3.22Å; E170-S273 PolarHBondContact OE2-OG 3.23Å
171F94.4Very high93.9Very high1 Ų151.2 Ų51.20%0.00426%0.262CS..G310 helixtrans-92.112.3175.3-53-59.8000113P166 L168 K169 I173 I194 L195 S196 C199 I210 I213 L268 I271P166-F171 HydrophobicContact CB-CE2 4.29Å; P166-F171 HydrophobicContact CB-CZ 3.82Å; P166-F171 HydrophobicContact CG-CE2 4.47Å; P166-F171 HydrophobicContact CG-CZ 3.93Å; L168-F171 PolarHBondContact O-N 3.49Å; K169-F171 VanDerWaalsContact C-N 3.26Å; K169-F171 PolarHBondContact O-N 2.78Å; F171-I173 VanDerWaalsContact C-N 3.26Å; F171-I173 HydrophobicContact CB-CD1 3.88Å; F171-I173 HydrophobicContact CB-CG1 4.13Å; F171-I173 HydrophobicContact CD2-CD1 4.46Å; F171-I173 PolarHBondContact O-N 3.39Å; F171-I194 HydrophobicContact CB-CG2 3.88Å; F171-L195 PolarHBondContact O-N 2.8Å; F171-S196 WeakPolarHBondContact CA-O 3.27Å; F171-S196 WeakPolarHBondContact CD1-O 3.24Å; F171-S196 PolarHBondContact O-N 2.79Å; F171-S196 VanDerWaalsContact O-N 3.1Å; F171-C199 HydrophobicContact CE1-CB 4.49Å; F171-I210 HydrophobicContact CD1-CD1 3.8Å; F171-I210 HydrophobicContact CD2-CD1 4.29Å; F171-I210 HydrophobicContact CE1-CD1 3.55Å; F171-I210 HydrophobicContact CE2-CD1 4.08Å; F171-I210 HydrophobicContact CG-CD1 4.17Å; F171-I210 HydrophobicContact CZ-CD1 3.7Å; F171-I213 HydrophobicContact CD2-CD1 4.2Å; F171-L268 HydrophobicContact CE2-CD1 4.18Å; F171-I271 HydrophobicContact CZ-CD1 3.81Å
172E93.5Very high93.7Very high119 Ų11955.5 Ų55.556%0.55628%0.282SS*.THydrogen-bonded Turntrans58.334.9177.7-66.8168.8-152.800113.6K169 E170 L195K169-E172 PolarHBondContact O-N 2.86Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E172-L195 HydrophobicContact CB-CB 3.87Å; E172-L195 HydrophobicContact CB-CD1 4.41Å
173I95Very high93.5Very high7 Ų757 Ų574%0.03630%0.302CS..  trans-83.7142175.6-56.6157.3000109.7F171 L177 I178 I189 S193 I194 I213F171-I173 VanDerWaalsContact C-N 3.26Å; F171-I173 HydrophobicContact CB-CD1 3.88Å; F171-I173 HydrophobicContact CB-CG1 4.13Å; F171-I173 HydrophobicContact CD2-CD1 4.46Å; F171-I173 PolarHBondContact O-N 3.39Å; I173-L177 HydrophobicContact CG2-CB 4.33Å; I173-L177 HydrophobicContact CG2-CD2 4.04Å; I173-L177 HydrophobicContact CG2-CG 4.42Å; I173-I178 HydrophobicContact CB-CD1 4.14Å; I173-I178 HydrophobicContact CB-CG1 4.13Å; I173-I178 HydrophobicContact CG2-CD1 4.44Å; I173-I178 HydrophobicContact CG2-CG1 3.9Å; I173-I189 HydrophobicContact CD1-CD1 4.11Å; I173-I189 HydrophobicContact CD1-CG2 4.03Å; I173-I189 HydrophobicContact CG1-CG2 4.23Å; I173-I189 HydrophobicContact CG2-CD1 4.37Å; I173-I189 HydrophobicContact CG2-CG2 3.93Å; I173-S193 WeakPolarHBondContact CG1-O 3.35Å; I173-I194 HydrophobicContact CD1-CG1 4.32Å; I173-I194 HydrophobicContact CG1-CB 4.49Å; I173-I194 HydrophobicContact CG1-CG1 4.21Å; I173-I194 HydrophobicContact CG1-CG2 4.41Å; I173-I213 HydrophobicContact CD1-CD1 3.81Å
174S94.6Very high93.2Very high58 Ų5860.8 Ų60.841%0.40632%0.322SS..  trans-54.5133.1179-179.80000112.9S176 L177 I178S174-S176 PolarHBondContact O-N 2.91Å; S174-S176 VanDerWaalsContact O-N 3.15Å; S174-S176 PolarHBondContact OG-N 3.27Å; S174-S176 PolarHBondContact OG-OG 2.87Å; S174-L177 PolarHBondContact O-N 3.3Å; S174-L177 VanDerWaalsContact O-N 3.13Å; S174-I178 WeakPolarHBondContact O-CG1 3.27Å; S174-I178 PolarHBondContact O-N 3.28Å
175P94.2Very high92.8Very high96 Ų9667.3 Ų67.362%0.62335%0.349SS*.Hα-helixtrans-60.3-19.9174.7-25.835.3000115.4K179P175-K179 WeakPolarHBondContact O-CG 3.45Å; P175-K179 PolarHBondContact O-N 3.04Å
176S93.4Very high92.4Very high67 Ų6773.8 Ų73.847%0.46938%0.377SS..Hα-helixtrans-69-57.8169.152.90000110.3S174 I178 K179 D180S174-S176 PolarHBondContact O-N 2.91Å; S174-S176 VanDerWaalsContact O-N 3.15Å; S174-S176 PolarHBondContact OG-N 3.27Å; S174-S176 PolarHBondContact OG-OG 2.87Å; S176-I178 PolarHBondContact O-N 3.29Å; S176-I178 VanDerWaalsContact O-N 3.15Å; S176-K179 WeakPolarHBondContact O-CA 3.3Å; S176-K179 WeakPolarHBondContact O-CB 3.36Å; S176-K179 PolarHBondContact O-N 3.41Å; S176-D180 VanDerWaalsContact O-CG 3.28Å; S176-D180 PolarHBondContact O-N 2.86Å
177L93.5Very high92.3Very high49 Ų4974.5 Ų74.526%0.25738%0.383SS..Hα-helixtrans-58.8-32.2-178.5-171.663.2000112.9I173 S174 F181 I189 S193I173-L177 HydrophobicContact CG2-CB 4.33Å; I173-L177 HydrophobicContact CG2-CD2 4.04Å; I173-L177 HydrophobicContact CG2-CG 4.42Å; S174-L177 PolarHBondContact O-N 3.3Å; S174-L177 VanDerWaalsContact O-N 3.13Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 3.18Å; L177-I189 HydrophobicContact CD2-CG2 3.98Å; L177-S193 VanDerWaalsContact CD2-CB 3.48Å
178I93.6Very high92.4Very high25 Ų2573.1 Ų73.113%0.12838%0.38CS..Hα-helixtrans-65.2-40.6172.2-66.7172.3000111.7L168 K169 I173 S174 S176 H182L168-I178 HydrophobicContact CB-CD1 4.09Å; L168-I178 HydrophobicContact CB-CG1 4.22Å; L168-I178 HydrophobicContact CB-CG2 4.47Å; L168-I178 HydrophobicContact CD1-CG2 4.34Å; K169-I178 HydrophobicContact CB-CD1 4.48Å; I173-I178 HydrophobicContact CB-CD1 4.14Å; I173-I178 HydrophobicContact CB-CG1 4.13Å; I173-I178 HydrophobicContact CG2-CD1 4.44Å; I173-I178 HydrophobicContact CG2-CG1 3.9Å; S174-I178 WeakPolarHBondContact O-CG1 3.27Å; S174-I178 PolarHBondContact O-N 3.28Å; S176-I178 PolarHBondContact O-N 3.29Å; S176-I178 VanDerWaalsContact O-N 3.15Å; I178-H182 PolarHBondContact O-CD2 2.94Å; I178-H182 PolarHBondContact O-N 3.39Å; I178-H182 VanDerWaalsContact O-N 3.08Å
179K93.1Very high92.5Very high146 Ų14672.6 Ų72.664%0.63538%0.378SS*.Hα-helixtrans-66.5-47.6174.9-69.1168.9-179.1-178.60110.5P175 S176 F181 H182 T183P175-K179 WeakPolarHBondContact O-CG 3.45Å; P175-K179 PolarHBondContact O-N 3.04Å; S176-K179 WeakPolarHBondContact O-CA 3.3Å; S176-K179 WeakPolarHBondContact O-CB 3.36Å; S176-K179 PolarHBondContact O-N 3.41Å; K179-F181 VanDerWaalsContact C-N 3.29Å; K179-F181 PolarHBondContact O-N 3.01Å; K179-H182 PolarHBondContact O-N 2.85Å; K179-H182 VanDerWaalsContact O-N 3.14Å; K179-T183 PolarHBondContact O-N 3.13Å; K179-T183 PolarHBondContact O-OG1 3.41Å; K179-T183 VanDerWaalsContact O-OG1 3.09Å
180D92.4Very high92.5Very high92 Ų9270.4 Ų70.449%0.49237%0.369SS..Hα-helixtrans-60-41.7-179.7-55.7-34.4000111S176 T183 N184S176-D180 VanDerWaalsContact O-CG 3.28Å; S176-D180 PolarHBondContact O-N 2.86Å; D180-T183 PolarHBondContact O-N 3.19Å; D180-N184 WeakPolarHBondContact O-CB 3.41Å; D180-N184 PolarHBondContact O-N 3.2Å
181F93.4Very high92.5Very high1 Ų173.4 Ų73.40%0.00438%0.379CS..Hα-helixtrans-59.5-50.7172.9-177.7-110.5000111.9L168 L177 K179 T183 N184 A187 I189 I213 H215 I250L168-F181 HydrophobicContact CD1-CD1 3.72Å; L168-F181 HydrophobicContact CD1-CE1 3.83Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 3.18Å; K179-F181 VanDerWaalsContact C-N 3.29Å; K179-F181 PolarHBondContact O-N 3.01Å; F181-T183 VanDerWaalsContact C-N 3.25Å; F181-T183 PolarHBondContact O-N 3.33Å; F181-N184 PolarHBondContact O-N 3.32Å; F181-N184 VanDerWaalsContact O-O 3.13Å; F181-A187 HydrophobicContact CB-CB 4.42Å; F181-A187 HydrophobicContact CD2-CB 3.8Å; F181-A187 WeakPolarHBondContact CE2-O 3.46Å; F181-I189 HydrophobicContact CB-CD1 4.12Å; F181-I189 HydrophobicContact CB-CG1 4.2Å; F181-I189 HydrophobicContact CD1-CD1 3.86Å; F181-I189 HydrophobicContact CD1-CG1 4.41Å; F181-I189 HydrophobicContact CD2-CD1 4.04Å; F181-I189 HydrophobicContact CD2-CG1 3.67Å; F181-I189 HydrophobicContact CE1-CD1 4.22Å; F181-I189 HydrophobicContact CE2-CD1 4.4Å; F181-I189 HydrophobicContact CE2-CG1 4.08Å; F181-I189 HydrophobicContact CG-CD1 3.76Å; F181-I189 HydrophobicContact CG-CG1 3.87Å; F181-I189 HydrophobicContact CZ-CD1 4.49Å; F181-I213 HydrophobicContact CE1-CG2 4.24Å; F181-I213 HydrophobicContact CZ-CG2 3.85Å; F181-H215 AromaticContact CD1-CE1 3.79Å; F181-H215 AromaticContact CD1-NE2 3.58Å; F181-H215 AromaticContact CD2-NE2 3.97Å; F181-H215 AromaticContact CE1-CE1 3.23Å; F181-H215 WeakPolarHBondContact CE1-CE1 3.35Å; F181-H215 AromaticContact CE1-ND1 3.89Å; F181-H215 AromaticContact CE1-NE2 3.45Å; F181-H215 WeakPolarHBondContact CE1-NE2 3.5Å; F181-H215 AromaticContact CE2-CD2 3.79Å; F181-H215 AromaticContact CE2-NE2 3.85Å; F181-H215 AromaticContact CG-NE2 3.84Å; F181-H215 AromaticContact CZ-CD2 3.86Å; F181-H215 AromaticContact CZ-CE1 3.41Å; F181-H215 VanDerWaalsContact CZ-CE1 3.41Å; F181-H215 WeakPolarHBondContact CZ-CE1 3.34Å; F181-H215 AromaticContact CZ-CG 3.9Å; F181-H215 AromaticContact CZ-ND1 3.61Å; F181-H215 AromaticContact CZ-NE2 3.59Å; F181-H215 PolarHBondContact O-NE2 3.46Å; F181-H215 VanDerWaalsContact O-NE2 3.08Å; F181-I250 HydrophobicContact CE1-CD1 4.33Å; F181-I250 HydrophobicContact CE1-CG1 4.23Å; F181-I250 HydrophobicContact CE1-CG2 4.36Å; F181-I250 HydrophobicContact CZ-CG2 4.45Å
182H90.9Very high92.3Very high90 Ų9080.5 Ų80.542%0.41741%0.412SS..Hα-helixtrans-64.8-25.1177.7-72.1-38.2000114.5I178 K179I178-H182 PolarHBondContact O-CD2 2.94Å; I178-H182 PolarHBondContact O-N 3.39Å; I178-H182 VanDerWaalsContact O-N 3.08Å; K179-H182 PolarHBondContact O-N 2.85Å; K179-H182 VanDerWaalsContact O-N 3.14Å
183T91.1Very high92.4Very high123 Ų12376.5 Ų76.576%0.75540%0.397SS*.Hα-helixtrans-82.5-39.2176-59.10000112.3K179 D180 F181K179-T183 PolarHBondContact O-N 3.13Å; K179-T183 PolarHBondContact O-OG1 3.41Å; K179-T183 VanDerWaalsContact O-OG1 3.09Å; D180-T183 PolarHBondContact O-N 3.19Å; F181-T183 VanDerWaalsContact C-N 3.25Å; F181-T183 PolarHBondContact O-N 3.33Å
184N89.6Confident92.4Very high81 Ų8176.3 Ų76.343%0.43340%0.396SS..  trans-102.8108.1-175.4178.31.5000112.4D180 F181 H186 A187D180-N184 WeakPolarHBondContact O-CB 3.41Å; D180-N184 PolarHBondContact O-N 3.2Å; F181-N184 PolarHBondContact O-N 3.32Å; F181-N184 VanDerWaalsContact O-O 3.13Å; N184-H186 PolarHBondContact O-N 3.31Å; N184-H186 PolarHBondContact OD1-N 3.22Å; N184-A187 HydrophobicContact CB-CB 4Å; N184-A187 VanDerWaalsContact O-CB 3.3Å; N184-A187 WeakPolarHBondContact O-CB 3.4Å; N184-A187 PolarHBondContact O-N 2.77Å
185K85.6Confident92.3Very high151 Ų15179.5 Ų79.566%0.65741%0.408SS*.THydrogen-bonded Turntrans-56.4-16.7178.3-62.9179.1-177.4174.10115.4H215K185-H215 VanDerWaalsContact O-CB 3.3Å; K185-H215 WeakPolarHBondContact O-CB 3.28Å
186H86.2Confident92.2Very high162 Ų16277 Ų7775%0.7539%0.392SS*.THydrogen-bonded Turntrans-109.73.6179.4-59.6-78.5000113.4N184N184-H186 PolarHBondContact O-N 3.31Å; N184-H186 PolarHBondContact OD1-N 3.22Å
187A91.7Very high92.3Very high20 Ų2075.2 Ų75.217%0.16538%0.377CS..  trans-65.5151.9176.500000112.2F181 N184F181-A187 HydrophobicContact CB-CB 4.42Å; F181-A187 HydrophobicContact CD2-CB 3.8Å; F181-A187 WeakPolarHBondContact CE2-O 3.46Å; N184-A187 HydrophobicContact CB-CB 4Å; N184-A187 VanDerWaalsContact O-CB 3.3Å; N184-A187 WeakPolarHBondContact O-CB 3.4Å; N184-A187 PolarHBondContact O-N 2.77Å
188V93.7Very high92.4Very high61 Ų6178.5 Ų78.537%0.3739%0.387SS..EExtended strand (participates in β ladder)trans-131.7130.1176.9177.50000107.7E190 N212 L214V188-E190 HydrophobicContact CG1-CG 4.13Å; V188-E190 VanDerWaalsContact CG1-OE1 3.23Å; V188-E190 WeakPolarHBondContact CG1-OE1 3.41Å; V188-N212 HydrophobicContact CG1-CB 3.97Å; V188-L214 HydrophobicContact CB-CD2 4.05Å; V188-L214 HydrophobicContact CG1-CD2 3.53Å; V188-L214 HydrophobicContact CG2-CD2 3.55Å
189I95.2Very high92.5Very high0 Ų077.3 Ų77.30%038%0.38CS..EExtended strand (participates in β ladder)trans-91.8105.6170.1-51.4176.6000106.9L168 I173 L177 F181 I194 N212 I213L168-I189 HydrophobicContact CD1-CD1 4.33Å; I173-I189 HydrophobicContact CD1-CD1 4.11Å; I173-I189 HydrophobicContact CD1-CG2 4.03Å; I173-I189 HydrophobicContact CG1-CG2 4.23Å; I173-I189 HydrophobicContact CG2-CD1 4.37Å; I173-I189 HydrophobicContact CG2-CG2 3.93Å; L177-I189 HydrophobicContact CD2-CG2 3.98Å; F181-I189 HydrophobicContact CB-CD1 4.12Å; F181-I189 HydrophobicContact CB-CG1 4.2Å; F181-I189 HydrophobicContact CD1-CD1 3.86Å; F181-I189 HydrophobicContact CD1-CG1 4.41Å; F181-I189 HydrophobicContact CD2-CD1 4.04Å; F181-I189 HydrophobicContact CD2-CG1 3.67Å; F181-I189 HydrophobicContact CE1-CD1 4.22Å; F181-I189 HydrophobicContact CE2-CD1 4.4Å; F181-I189 HydrophobicContact CE2-CG1 4.08Å; F181-I189 HydrophobicContact CG-CD1 3.76Å; F181-I189 HydrophobicContact CG-CG1 3.87Å; F181-I189 HydrophobicContact CZ-CD1 4.49Å; I189-I194 HydrophobicContact CG2-CD1 4.26Å; I189-I194 HydrophobicContact CG2-CG1 3.82Å; I189-N212 WeakPolarHBondContact O-CA 3.2Å; I189-N212 VanDerWaalsContact O-CB 3.26Å; I189-N212 WeakPolarHBondContact O-CB 3.46Å; I189-I213 HydrophobicContact CB-CB 4.11Å; I189-I213 HydrophobicContact CD1-CB 4.41Å; I189-I213 HydrophobicContact CG1-CB 4.48Å; I189-I213 PolarHBondContact N-O 3.22Å; I189-I213 PolarHBondContact O-N 2.96Å
190E94.8Very high92.7Very high77 Ų7773.1 Ų73.136%0.3636%0.361SS..  trans-80.2157-176.5-81.1-57.8153.800113.6V188 H192 S193 N212V188-E190 HydrophobicContact CG1-CG 4.13Å; V188-E190 VanDerWaalsContact CG1-OE1 3.23Å; V188-E190 WeakPolarHBondContact CG1-OE1 3.41Å; E190-H192 VanDerWaalsContact CB-CE1 3.42Å; E190-H192 WeakPolarHBondContact CB-CE1 3.38Å; E190-H192 PolarHBondContact O-N 2.89Å; E190-S193 WeakPolarHBondContact O-CB 3.35Å; E190-S193 PolarHBondContact O-N 2.88Å; E190-N212 PolarHBondContact OE1-ND2 3.4Å
191R92.5Very high92.9Very high115 Ų11568.8 Ų68.843%0.43434%0.338SS..G310 helixtrans-50.4-38.5-169.3-160.8-177.3-176.6-168.84.4114.9S193 I194 I211R191-S193 PolarHBondContact O-N 2.84Å; R191-I194 PolarHBondContact O-N 3.48Å; R191-I211 WeakPolarHBondContact CA-O 3.34Å; R191-I211 WeakPolarHBondContact CB-O 3.32Å; R191-I211 PolarHBondContact N-O 2.88Å; R191-I211 VanDerWaalsContact N-O 3.11Å
192H91.4Very high93Very high151 Ų15169 Ų6970%0.69934%0.339SS*.G310 helixtrans-69.7-19-178.560.5-101.2000113.2E190E190-H192 VanDerWaalsContact CB-CE1 3.42Å; E190-H192 WeakPolarHBondContact CB-CE1 3.38Å; E190-H192 PolarHBondContact O-N 2.89Å
193S93.8Very high93.2Very high35 Ų3565.6 Ų65.625%0.24533%0.325CS..G310 helixtrans-90.91.7176.3-64.60000113.2I173 L177 E190 R191I173-S193 WeakPolarHBondContact CG1-O 3.35Å; L177-S193 VanDerWaalsContact CD2-CB 3.48Å; E190-S193 WeakPolarHBondContact O-CB 3.35Å; E190-S193 PolarHBondContact O-N 2.88Å; R191-S193 PolarHBondContact O-N 2.84Å
194I95.3Very high93.3Very high3 Ų362.5 Ų62.52%0.01531%0.308CS..  trans-115.788.3-176.8-48.6175.9000108.4F171 I173 I189 R191 N197 I210 I213F171-I194 HydrophobicContact CB-CG2 3.88Å; I173-I194 HydrophobicContact CD1-CG1 4.32Å; I173-I194 HydrophobicContact CG1-CB 4.49Å; I173-I194 HydrophobicContact CG1-CG1 4.21Å; I173-I194 HydrophobicContact CG1-CG2 4.41Å; I189-I194 HydrophobicContact CG2-CD1 4.26Å; I189-I194 HydrophobicContact CG2-CG1 3.82Å; R191-I194 PolarHBondContact O-N 3.48Å; I194-N197 HydrophobicContact CB-CB 4.32Å; I194-N197 HydrophobicContact CG2-CB 3.83Å; I194-I210 HydrophobicContact CD1-CG2 3.76Å; I194-I213 HydrophobicContact CD1-CD1 4.17Å; I194-I213 HydrophobicContact CD1-CG1 3.94Å
195L92.4Very high93.6Very high125 Ų12560 Ų6065%0.65430%0.295SS*.SBendtrans-67.6-46.4-176.4-55.1177.7000110.9F171 E172 N197F171-L195 PolarHBondContact O-N 2.8Å; E172-L195 HydrophobicContact CB-CB 3.87Å; E172-L195 HydrophobicContact CB-CD1 4.41Å; L195-N197 PolarHBondContact O-N 2.88Å
196S93.5Very high94Very high42 Ų4258.9 Ų58.929%0.29429%0.29SS..SBendtrans-95.275.1174.5-1720000110.4F171 W198F171-S196 WeakPolarHBondContact CA-O 3.27Å; F171-S196 WeakPolarHBondContact CD1-O 3.24Å; F171-S196 PolarHBondContact O-N 2.79Å; F171-S196 VanDerWaalsContact O-N 3.1Å; S196-W198 PolarHBondContact O-N 2.8Å
197N94.1Very high94.4Very high30 Ų3055.7 Ų55.716%0.1628%0.276CS..  trans-84.34.1-174.165.544.8000116I194 L195 Q209 I210I194-N197 HydrophobicContact CB-CB 4.32Å; I194-N197 HydrophobicContact CG2-CB 3.83Å; L195-N197 PolarHBondContact O-N 2.88Å; N197-Q209 CarbonylContact O-C 3.58Å; N197-Q209 WeakPolarHBondContact O-CA 3.44Å; N197-I210 PolarHBondContact O-N 3.33Å
198W95.6Very high94.5Very high119 Ų11954.8 Ų54.845%0.45127%0.269SS..EExtended strand (participates in β ladder)trans-86.2140.2179-72.2106.7000112.3S196 M207 Q209S196-W198 PolarHBondContact O-N 2.8Å; W198-M207 HydrophobicContact CD2-CE 4.14Å; W198-M207 HydrophobicContact CD2-CG 4.49Å; W198-M207 HydrophobicContact CE3-CE 3.77Å; W198-M207 HydrophobicContact CE3-CG 3.72Å; W198-M207 HydrophobicContact CE3-SD 4.19Å; W198-M207 HydrophobicContact CH2-CE 4.04Å; W198-M207 HydrophobicContact CZ2-CE 4.41Å; W198-M207 HydrophobicContact CZ3-CE 3.71Å; W198-M207 HydrophobicContact CZ3-CG 4.19Å; W198-Q209 HydrophobicContact CD2-CG 3.95Å; W198-Q209 HydrophobicContact CE3-CG 3.61Å; W198-Q209 HydrophobicContact CH2-CG 3.74Å; W198-Q209 HydrophobicContact CZ2-CG 4.03Å; W198-Q209 HydrophobicContact CZ3-CG 3.5Å
199C96.4Very high94.6Very high0 Ų053.7 Ų53.70%026%0.259CS..EExtended strand (participates in β ladder)trans-146.6165.7175.168.50000111.9F171 M207 G208 I210 I271 R272F171-C199 HydrophobicContact CE1-CB 4.49Å; C199-M207 CarbonylContact O-C 3.53Å; C199-M207 VanDerWaalsContact O-CA 3.27Å; C199-M207 WeakPolarHBondContact O-CA 3.24Å; C199-G208 PolarHBondContact N-O 3.23Å; C199-G208 PolarHBondContact O-N 3.44Å; C199-G208 PolarHBondContact SG-O 3.22Å; C199-I210 HydrophobicContact CB-CD1 4.21Å; C199-I210 HydrophobicContact CB-CG1 4.22Å; C199-I271 HydrophobicContact CB-CB 4.49Å; C199-I271 HydrophobicContact CB-CD1 4.14Å; C199-R272 CarbonylContact C-O 3.52Å; C199-R272 WeakPolarHBondContact CA-O 3.31Å; C199-R272 WeakPolarHBondContact CB-O 3.3Å
200Y96.9Very high94.7Very high57 Ų5753.7 Ų53.722%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-111.7132.3175-57-93000110.5M205 K206 M207 I271 R272 P275Y200-M205 HydrophobicContact CD1-CE 4.42Å; Y200-M205 HydrophobicContact CG-CE 4Å; Y200-K206 WeakPolarHBondContact CA-O 3.44Å; Y200-M207 HydrophobicContact CD1-CB 4.26Å; Y200-M207 HydrophobicContact CD1-CG 4.39Å; Y200-M207 HydrophobicContact CE1-CB 4.21Å; Y200-M207 HydrophobicContact CE1-CG 4.12Å; Y200-M207 HydrophobicContact CE1-SD 4.2Å; Y200-I271 CarbonylContact O-C 3.51Å; Y200-I271 WeakPolarHBondContact O-CA 3.44Å; Y200-R272 PolarHBondContact N-O 2.87Å; Y200-R272 PolarHBondContact O-N 2.67Å; Y200-P275 HydrophobicContact CE1-CB 4.36Å; Y200-P275 HydrophobicContact CE2-CB 4.19Å; Y200-P275 HydrophobicContact CE2-CG 4.42Å
201V96.8Very high94.7Very high1 Ų151.7 Ų51.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-109.3123.5-169.9-168.90000111.8S204 M205 K206 I254 F256 Y266 I271V201-S204 PolarHBondContact O-N 3.3Å; V201-S204 PolarHBondContact O-OG 2.98Å; V201-M205 WeakPolarHBondContact O-CA 3.36Å; V201-M205 PolarHBondContact O-N 2.83Å; V201-K206 PolarHBondContact N-O 2.68Å; V201-I254 HydrophobicContact CG1-CD1 4.32Å; V201-I254 HydrophobicContact CG2-CD1 3.49Å; V201-I254 VanDerWaalsContact CG2-CD1 3.49Å; V201-I254 HydrophobicContact CG2-CG2 4.13Å; V201-F256 HydrophobicContact CB-CE1 4.27Å; V201-F256 HydrophobicContact CB-CZ 3.9Å; V201-F256 HydrophobicContact CG1-CZ 4.17Å; V201-F256 HydrophobicContact CG2-CE1 3.82Å; V201-F256 HydrophobicContact CG2-CZ 3.61Å; V201-Y266 HydrophobicContact CG1-CD1 4.2Å; V201-Y266 HydrophobicContact CG1-CD2 4.13Å; V201-Y266 HydrophobicContact CG1-CE1 3.97Å; V201-Y266 HydrophobicContact CG1-CE2 3.86Å; V201-Y266 HydrophobicContact CG1-CG 4.25Å; V201-I271 HydrophobicContact CG2-CG2 4.36Å
202L96.6Very high94.8Very high5 Ų547.4 Ų47.43%0.02624%0.237CC..THydrogen-bonded Turntrans-70.9165.2-178.9-65.1170.2000112.1T121 L132 L163 M205 W233 Y239 C270T121-L202 HydrophobicContact CG2-CD2 3.51Å; L132-L202 HydrophobicContact CD2-CD1 3.53Å; L163-L202 HydrophobicContact CD2-CD2 4.37Å; L202-M205 HydrophobicContact CD2-SD 3.55Å; L202-M205 VanDerWaalsContact CD2-SD 3.55Å; L202-M205 HydrophobicContact CG-SD 4.49Å; L202-W233 VanDerWaalsContact C-CH2 3.47Å; L202-W233 HydrophobicContact CB-CH2 3.81Å; L202-W233 HydrophobicContact CB-CZ3 3.8Å; L202-W233 WeakPolarHBondContact O-CH2 3.48Å; L202-Y239 HydrophobicContact CB-CE2 3.94Å; L202-Y239 HydrophobicContact CD1-CE2 4.25Å; L202-C270 WeakPolarHBondContact CB-O 3.34Å; L202-C270 WeakPolarHBondContact CG-O 3.35Å; L202-C270 PolarHBondContact N-O 2.94Å
203P94.9Very high95.1Very high19 Ų1940.2 Ų40.212%0.12320%0.204CC..THydrogen-bonded Turncis-65.4-11.1-23.132-37.8000112.3R120 T121 G122 M205 Y237 Y239R120-P203 WeakPolarHBondContact O-CB 3.47Å; T121-P203 CarbonylContact C-O 3.59Å; T121-P203 WeakPolarHBondContact CA-O 3.46Å; G122-P203 PolarHBondContact N-O 2.99Å; P203-M205 VanDerWaalsContact C-N 3.32Å; P203-M205 PolarHBondContact O-N 2.82Å; P203-Y237 VanDerWaalsContact CD-CE2 3.45Å; P203-Y237 HydrophobicContact CG-CD1 3.66Å; P203-Y237 HydrophobicContact CG-CD2 4.04Å; P203-Y237 HydrophobicContact CG-CE1 3.61Å; P203-Y237 HydrophobicContact CG-CE2 3.99Å; P203-Y237 HydrophobicContact CG-CG 3.87Å; P203-Y239 WeakPolarHBondContact CA-OH 3.17Å; P203-Y239 HydrophobicContact CB-CE1 4.07Å; P203-Y239 HydrophobicContact CB-CE2 4.47Å; P203-Y239 WeakPolarHBondContact CB-OH 3.33Å
204S93.1Very high95.1Very high58 Ų5839.5 Ų39.541%0.40620%0.197SC..THydrogen-bonded Turntrans-69.7-22.9-165.472.20000115.4V201 K206V201-S204 PolarHBondContact O-N 3.3Å; V201-S204 PolarHBondContact O-OG 2.98Å; S204-K206 PolarHBondContact O-N 3.38Å; S204-K206 WeakPolarHBondContact OG-CB 3.22Å; S204-K206 WeakPolarHBondContact OG-CG 3.33Å; S204-K206 PolarHBondContact OG-N 3.4Å; S204-K206 VanDerWaalsContact OG-N 3.13Å
205M94.9Very high95Very high30 Ų3040.4 Ų40.415%0.14820%0.201CC..THydrogen-bonded Turntrans54.124.9-166.1-62.6-58.6-63.800113.7T121 L163 Y200 V201 L202 P203 I276T121-M205 HydrophobicContact CG2-CG 3.59Å; T121-M205 HydrophobicContact CG2-SD 3.71Å; L163-M205 HydrophobicContact CD1-CE 3.96Å; L163-M205 HydrophobicContact CD2-SD 4.41Å; Y200-M205 HydrophobicContact CD1-CE 4.42Å; Y200-M205 HydrophobicContact CG-CE 4Å; V201-M205 WeakPolarHBondContact O-CA 3.36Å; V201-M205 PolarHBondContact O-N 2.83Å; L202-M205 HydrophobicContact CD2-SD 3.55Å; L202-M205 VanDerWaalsContact CD2-SD 3.55Å; L202-M205 HydrophobicContact CG-SD 4.49Å; P203-M205 VanDerWaalsContact C-N 3.32Å; P203-M205 PolarHBondContact O-N 2.82Å; M205-I276 HydrophobicContact CE-CD1 4.48Å; M205-I276 HydrophobicContact CE-CG1 4.19Å; M205-I276 HydrophobicContact CG-CD1 4.18Å
206K93.9Very high94.9Very high127 Ų12737.5 Ų37.555%0.55220%0.195SC*.EExtended strand (participates in β ladder)trans-68.3137.4169.3-75.7-176.9173.3-1700110.1Y200 V201 S204 F256Y200-K206 WeakPolarHBondContact CA-O 3.44Å; V201-K206 PolarHBondContact N-O 2.68Å; S204-K206 PolarHBondContact O-N 3.38Å; S204-K206 WeakPolarHBondContact OG-CB 3.22Å; S204-K206 WeakPolarHBondContact OG-CG 3.33Å; S204-K206 PolarHBondContact OG-N 3.4Å; S204-K206 VanDerWaalsContact OG-N 3.13Å; K206-F256 HydrophobicContact CB-CE1 4.31Å
207M94.6Very high94.8Very high95 Ų9537.3 Ų37.347%0.46819%0.19SC..EExtended strand (participates in β ladder)trans-78.2138.2175.9-158.6171.575.600110.7W198 C199 Y200W198-M207 HydrophobicContact CD2-CE 4.14Å; W198-M207 HydrophobicContact CD2-CG 4.49Å; W198-M207 HydrophobicContact CE3-CE 3.77Å; W198-M207 HydrophobicContact CE3-CG 3.72Å; W198-M207 HydrophobicContact CE3-SD 4.19Å; W198-M207 HydrophobicContact CH2-CE 4.04Å; W198-M207 HydrophobicContact CZ2-CE 4.41Å; W198-M207 HydrophobicContact CZ3-CE 3.71Å; W198-M207 HydrophobicContact CZ3-CG 4.19Å; C199-M207 CarbonylContact O-C 3.53Å; C199-M207 VanDerWaalsContact O-CA 3.27Å; C199-M207 WeakPolarHBondContact O-CA 3.24Å; Y200-M207 HydrophobicContact CD1-CB 4.26Å; Y200-M207 HydrophobicContact CD1-CG 4.39Å; Y200-M207 HydrophobicContact CE1-CB 4.21Å; Y200-M207 HydrophobicContact CE1-CG 4.12Å; Y200-M207 HydrophobicContact CE1-SD 4.2Å
208G94.9Very high94.5Very high1 Ų136.7 Ų36.71%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-149.1162.9178.800000111.5C199 Y255C199-G208 PolarHBondContact N-O 3.23Å; C199-G208 PolarHBondContact O-N 3.44Å; C199-G208 PolarHBondContact SG-O 3.22Å; G208-Y255 WeakPolarHBondContact CA-O 3.49Å
209Q95.6Very high94.1Very high37 Ų3736.4 Ų36.417%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-99.2130.4179.7-68.2-172.3-16.200111N197 W198 I211 I254 Y255N197-Q209 CarbonylContact O-C 3.58Å; N197-Q209 WeakPolarHBondContact O-CA 3.44Å; W198-Q209 HydrophobicContact CD2-CG 3.95Å; W198-Q209 HydrophobicContact CE3-CG 3.61Å; W198-Q209 HydrophobicContact CH2-CG 3.74Å; W198-Q209 HydrophobicContact CZ2-CG 4.03Å; W198-Q209 HydrophobicContact CZ3-CG 3.5Å; Q209-I211 PolarHBondContact O-N 3.12Å; Q209-I254 CarbonylContact O-C 3.52Å; Q209-I254 WeakPolarHBondContact O-CA 3.32Å; Q209-Y255 PolarHBondContact N-O 2.98Å; Q209-Y255 PolarHBondContact O-N 2.87Å
210I96.7Very high93.6Very high0 Ų041.6 Ų41.60%023%0.229CC..EExtended strand (participates in β ladder)trans-70.3126.4167.7-55.8177.2000107.9F171 I194 N197 C199 I213 C252 I271F171-I210 HydrophobicContact CD1-CD1 3.8Å; F171-I210 HydrophobicContact CD2-CD1 4.29Å; F171-I210 HydrophobicContact CE1-CD1 3.55Å; F171-I210 HydrophobicContact CE2-CD1 4.08Å; F171-I210 HydrophobicContact CG-CD1 4.17Å; F171-I210 HydrophobicContact CZ-CD1 3.7Å; I194-I210 HydrophobicContact CD1-CG2 3.76Å; N197-I210 PolarHBondContact O-N 3.33Å; C199-I210 HydrophobicContact CB-CD1 4.21Å; C199-I210 HydrophobicContact CB-CG1 4.22Å; I210-I213 HydrophobicContact CG2-CD1 4.33Å; I210-I213 HydrophobicContact CG2-CG1 3.74Å; I210-C252 HydrophobicContact CG2-CB 4.35Å; I210-I271 HydrophobicContact CD1-CD1 3.96Å
211I95.1Very high93.2Very high36 Ų3639 Ų3919%0.18522%0.22CC..EExtended strand (participates in β ladder)trans-94.7-49.6175.6-59.8-55.6000110.1R191 Q209 N253 Y255 T263R191-I211 WeakPolarHBondContact CA-O 3.34Å; R191-I211 WeakPolarHBondContact CB-O 3.32Å; R191-I211 PolarHBondContact N-O 2.88Å; R191-I211 VanDerWaalsContact N-O 3.11Å; Q209-I211 PolarHBondContact O-N 3.12Å; I211-N253 PolarHBondContact N-O 3.26Å; I211-Y255 HydrophobicContact CD1-CG 4.43Å; I211-T263 HydrophobicContact CG1-CG2 4.05Å
212N95.1Very high92.8Very high25 Ų2543.7 Ų43.713%0.13425%0.25CC..EExtended strand (participates in β ladder)trans-150.5161.816955.517.2000111.8V188 I189 E190 N253V188-N212 HydrophobicContact CG1-CB 3.97Å; I189-N212 WeakPolarHBondContact O-CA 3.2Å; I189-N212 VanDerWaalsContact O-CB 3.26Å; I189-N212 WeakPolarHBondContact O-CB 3.46Å; E190-N212 PolarHBondContact OE1-ND2 3.4Å; N212-N253 PolarHBondContact O-N 3.13Å; N212-N253 WeakPolarHBondContact OD1-CB 3.41Å; N212-N253 PolarHBondContact OD1-ND2 3.24Å
213I96.2Very high92.5Very high0 Ų045.2 Ų45.20%026%0.256CS..EExtended strand (participates in β ladder)trans-116.2132.5178.4-50-179.9000108.8L168 F171 I173 F181 I189 I194 I210 I250 Y251L168-I213 HydrophobicContact CD2-CD1 3.87Å; L168-I213 HydrophobicContact CD2-CG2 4.11Å; F171-I213 HydrophobicContact CD2-CD1 4.2Å; I173-I213 HydrophobicContact CD1-CD1 3.81Å; F181-I213 HydrophobicContact CE1-CG2 4.24Å; F181-I213 HydrophobicContact CZ-CG2 3.85Å; I189-I213 HydrophobicContact CB-CB 4.11Å; I189-I213 HydrophobicContact CD1-CB 4.41Å; I189-I213 HydrophobicContact CG1-CB 4.48Å; I189-I213 PolarHBondContact N-O 3.22Å; I189-I213 PolarHBondContact O-N 2.96Å; I194-I213 HydrophobicContact CD1-CD1 4.17Å; I194-I213 HydrophobicContact CD1-CG1 3.94Å; I210-I213 HydrophobicContact CG2-CD1 4.33Å; I210-I213 HydrophobicContact CG2-CG1 3.74Å; I213-I250 HydrophobicContact CG2-CG2 3.39Å; I213-Y251 CarbonylContact C-O 3.59Å; I213-Y251 WeakPolarHBondContact CA-O 3.47Å; I213-Y251 WeakPolarHBondContact CG2-O 3.43Å
214L94.3Very high92.3Very high20 Ų2052.8 Ų52.811%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-134.2150.6-163.3-58.4175.6000112.3V188 A216 P218 I250 Y251 N253V188-L214 HydrophobicContact CB-CD2 4.05Å; V188-L214 HydrophobicContact CG1-CD2 3.53Å; V188-L214 HydrophobicContact CG2-CD2 3.55Å; L214-A216 WeakPolarHBondContact CB-O 3.42Å; L214-P218 HydrophobicContact CD1-CG 3.58Å; L214-I250 WeakPolarHBondContact O-CA 3.47Å; L214-Y251 PolarHBondContact N-O 2.87Å; L214-Y251 PolarHBondContact O-N 3.14Å; L214-N253 VanDerWaalsContact CD1-ND2 3.3Å; L214-N253 WeakPolarHBondContact CD1-ND2 3.21Å
215H92.6Very high92.3Very high21 Ų2152.3 Ų52.310%0.09728%0.279CS..SBendtrans-94.5-27.2166.1-76.4-36.6000113.8F181 K185 I248 K249 Y251F181-H215 AromaticContact CD1-CE1 3.79Å; F181-H215 AromaticContact CD1-NE2 3.58Å; F181-H215 AromaticContact CD2-NE2 3.97Å; F181-H215 AromaticContact CE1-CE1 3.23Å; F181-H215 WeakPolarHBondContact CE1-CE1 3.35Å; F181-H215 AromaticContact CE1-ND1 3.89Å; F181-H215 AromaticContact CE1-NE2 3.45Å; F181-H215 WeakPolarHBondContact CE1-NE2 3.5Å; F181-H215 AromaticContact CE2-CD2 3.79Å; F181-H215 AromaticContact CE2-NE2 3.85Å; F181-H215 AromaticContact CG-NE2 3.84Å; F181-H215 AromaticContact CZ-CD2 3.86Å; F181-H215 AromaticContact CZ-CE1 3.41Å; F181-H215 VanDerWaalsContact CZ-CE1 3.41Å; F181-H215 WeakPolarHBondContact CZ-CE1 3.34Å; F181-H215 AromaticContact CZ-CG 3.9Å; F181-H215 AromaticContact CZ-ND1 3.61Å; F181-H215 AromaticContact CZ-NE2 3.59Å; F181-H215 PolarHBondContact O-NE2 3.46Å; F181-H215 VanDerWaalsContact O-NE2 3.08Å; K185-H215 VanDerWaalsContact O-CB 3.3Å; K185-H215 WeakPolarHBondContact O-CB 3.28Å; H215-I248 HydrophobicContact CB-CG2 4.47Å; H215-I248 WeakPolarHBondContact CE1-CG2 2.95Å; H215-I248 VanDerWaalsContact ND1-CG2 3.34Å; H215-I248 WeakPolarHBondContact ND1-CG2 3.15Å; H215-K249 PolarHBondContact ND1-O 2.84Å; H215-Y251 WeakPolarHBondContact O-CE2 3.3Å
216A90.3Very high92.1Very high65 Ų6551.8 Ų51.854%0.53728%0.276SS..SBendtrans-94.1157173.100000112L214L214-A216 WeakPolarHBondContact CB-O 3.42Å
217I91.6Very high92.1Very high38 Ų3846.8 Ų46.820%0.19526%0.26CS..PPolyproline II helixtrans-85.2129.6169.4-58168.9000108C221 F223 F229 Y251I217-C221 HydrophobicContact CG2-CB 3.55Å; I217-F223 WeakPolarHBondContact CG2-O 3.36Å; I217-F229 HydrophobicContact CD1-CD2 4.4Å; I217-F229 HydrophobicContact CD1-CE2 3.91Å; I217-F229 HydrophobicContact CG1-CE2 4.19Å; I217-F229 HydrophobicContact CG2-CE2 4.41Å; I217-Y251 HydrophobicContact CD1-CE1 4.27Å; I217-Y251 HydrophobicContact CG1-CD1 4.38Å; I217-Y251 HydrophobicContact CG1-CD2 4.22Å; I217-Y251 HydrophobicContact CG1-CE1 3.87Å; I217-Y251 HydrophobicContact CG1-CE2 3.7Å
218P89.4Confident92.1Very high16 Ų1644 Ų4410%0.10425%0.247CC..PPolyproline II helixtrans-59.8149.4178.4-2635.4000114.2L214 D220 C221 T265L214-P218 HydrophobicContact CD1-CG 3.58Å; P218-D220 VanDerWaalsContact C-N 3.3Å; P218-D220 WeakPolarHBondContact CB-OD1 3.33Å; P218-D220 PolarHBondContact O-N 3.1Å; P218-C221 HydrophobicContact CB-CB 4.42Å; P218-C221 WeakPolarHBondContact O-CB 3.34Å; P218-C221 PolarHBondContact O-N 3.47Å; P218-T265 HydrophobicContact CG-CG2 4.45Å
219P86.5Confident92Very high113 Ų11344 Ų4473%0.73425%0.247SC*.THydrogen-bonded Turntrans-69.6-25-177.529.2-35.4000113.7C221 R224P219-C221 VanDerWaalsContact C-N 3.29Å; P219-R224 PolarHBondContact O-NH1 3.49Å; P219-R224 PolarHBondContact O-NH2 3.31Å
220D85.9Confident92Very high109 Ų10944.9 Ų44.958%0.58325%0.251SS*.THydrogen-bonded Turntrans-76.1-13.4171.860.8-67.5000113.3P218P218-D220 VanDerWaalsContact C-N 3.3Å; P218-D220 WeakPolarHBondContact CB-OD1 3.33Å; P218-D220 PolarHBondContact O-N 3.1Å
221C88.1Confident91.9Very high4 Ų453 Ų533%0.02728%0.281CS..SBendtrans-67.7134.9176.8-160.50000110.6I217 P218 P219 F223 R224I217-C221 HydrophobicContact CG2-CB 3.55Å; P218-C221 HydrophobicContact CB-CB 4.42Å; P218-C221 WeakPolarHBondContact O-CB 3.34Å; P218-C221 PolarHBondContact O-N 3.47Å; P219-C221 VanDerWaalsContact C-N 3.29Å; C221-F223 PolarHBondContact O-N 2.92Å; C221-F223 VanDerWaalsContact O-N 3.09Å; C221-R224 PolarHBondContact O-NH1 2.93Å
222P87.8Confident91.8Very high99 Ų9952.8 Ų52.864%0.64328%0.28SS*.SBendtrans-71.3-0.117730.6-37.3000114
223F91.7Very high91.9Very high36 Ų3651.9 Ų51.916%0.15828%0.275CS..  trans-110.3142.8178.6-54.2-59.9000109.6I217 C221 D228 F229 H232I217-F223 WeakPolarHBondContact CG2-O 3.36Å; C221-F223 PolarHBondContact O-N 2.92Å; C221-F223 VanDerWaalsContact O-N 3.09Å; F223-D228 HydrophobicContact CB-CB 3.97Å; F223-D228 HydrophobicContact CD1-CB 3.84Å; F223-D228 HydrophobicContact CG-CB 4.31Å; F223-F229 HydrophobicContact CB-CD2 4.14Å; F223-F229 HydrophobicContact CB-CE2 3.85Å; F223-F229 HydrophobicContact CB-CZ 4.08Å; F223-F229 AromaticContact CD2-CD1 3.71Å; F223-F229 HydrophobicContact CD2-CD1 3.71Å; F223-F229 HydrophobicContact CD2-CD2 4.44Å; F223-F229 AromaticContact CD2-CE1 3.25Å; F223-F229 HydrophobicContact CD2-CE1 3.25Å; F223-F229 HydrophobicContact CD2-CE2 4.06Å; F223-F229 HydrophobicContact CD2-CG 4.3Å; F223-F229 AromaticContact CD2-CZ 3.46Å; F223-F229 HydrophobicContact CD2-CZ 3.46Å; F223-F229 VanDerWaalsContact CD2-CZ 3.46Å; F223-F229 AromaticContact CE2-CD1 3.94Å; F223-F229 HydrophobicContact CE2-CD1 3.94Å; F223-F229 AromaticContact CE2-CE1 3.62Å; F223-F229 HydrophobicContact CE2-CE1 3.62Å; F223-F229 HydrophobicContact CE2-CZ 4.28Å; F223-F229 HydrophobicContact CG-CD1 4.27Å; F223-F229 HydrophobicContact CG-CD2 4.41Å; F223-F229 HydrophobicContact CG-CE1 4.1Å; F223-F229 HydrophobicContact CG-CE2 4.25Å; F223-F229 HydrophobicContact CG-CG 4.43Å; F223-F229 HydrophobicContact CG-CZ 4.11Å; F223-H232 HydrophobicContact CE1-CB 3.76Å; F223-H232 AromaticContact CE1-CG 3.76Å; F223-H232 AromaticContact CE1-ND1 3.46Å; F223-H232 WeakPolarHBondContact CE1-ND1 3.43Å; F223-H232 HydrophobicContact CZ-CB 4.07Å; F223-H232 AromaticContact CZ-CE1 3.79Å; F223-H232 AromaticContact CZ-CG 3.66Å; F223-H232 AromaticContact CZ-ND1 3.36Å; F223-H232 WeakPolarHBondContact CZ-ND1 3.36Å
224R90.7Very high91.8Very high178 Ų17854.5 Ų54.567%0.67229%0.289SS*.SBendtrans-112-15.9-178.7-58.9-54.3-175.2-1589.6113.1P219 C221 D228P219-R224 PolarHBondContact O-NH1 3.49Å; P219-R224 PolarHBondContact O-NH2 3.31Å; C221-R224 PolarHBondContact O-NH1 2.93Å; R224-D228 PolarHBondContact N-OD2 2.79Å
225S91.8Very high91.8Very high48 Ų4855 Ų5534%0.33630%0.295SS..SBendtrans-142.9161.9-17967.70000112G227 D228S225-G227 PolarHBondContact O-N 3.35Å; S225-G227 PolarHBondContact OG-N 3.45Å; S225-D228 PolarHBondContact N-OD2 2.81Å; S225-D228 WeakPolarHBondContact O-CB 3.27Å; S225-D228 PolarHBondContact O-N 3.16Å; S225-D228 VanDerWaalsContact O-N 3.09Å; S225-D228 PolarHBondContact OG-N 2.92Å; S225-D228 VanDerWaalsContact OG-N 3.17Å; S225-D228 PolarHBondContact OG-OD2 3.5Å
226Y92.2Very high91.8Very high20 Ų2054.4 Ų54.48%0.07829%0.293CS..Hα-helixtrans-60.2-34.4170.2-170.7-103.1000111.9D228 F229 Q230 P242 K249 Y251 P267Y226-D228 PolarHBondContact O-N 2.99Å; Y226-F229 WeakPolarHBondContact O-CB 3.33Å; Y226-F229 PolarHBondContact O-N 2.83Å; Y226-F229 VanDerWaalsContact O-N 3.11Å; Y226-Q230 HydrophobicContact CD1-CG 3.94Å; Y226-Q230 HydrophobicContact CE1-CG 3.73Å; Y226-Q230 PolarHBondContact O-N 3.44Å; Y226-P242 WeakPolarHBondContact CE1-O 3.23Å; Y226-K249 HydrophobicContact CD1-CD 4.33Å; Y226-K249 HydrophobicContact CD2-CD 3.73Å; Y226-K249 HydrophobicContact CD2-CG 4.26Å; Y226-K249 HydrophobicContact CE2-CD 3.94Å; Y226-K249 HydrophobicContact CG-CD 3.95Å; Y226-K249 HydrophobicContact CG-CG 4.44Å; Y226-Y251 HydrophobicContact CD2-CE1 4.1Å; Y226-P267 HydrophobicContact CD2-CG 4.49Å; Y226-P267 HydrophobicContact CE2-CB 3.96Å; Y226-P267 HydrophobicContact CE2-CG 3.96Å
227G93.1Very high92Very high22 Ų2254.8 Ų54.823%0.22728%0.281CS..Hα-helixtrans-61.6-25.6173.900000114.2S225 R231S225-G227 PolarHBondContact O-N 3.35Å; S225-G227 PolarHBondContact OG-N 3.45Å; G227-R231 WeakPolarHBondContact O-CB 3.47Å; G227-R231 VanDerWaalsContact O-CG 3.25Å; G227-R231 WeakPolarHBondContact O-CG 3.45Å; G227-R231 PolarHBondContact O-N 3.41Å; G227-R231 PolarHBondContact O-NE 2.93Å
228D93.9Very high92.2Very high36 Ų3653 Ų5319%0.19327%0.272CS..Hα-helixtrans-72.3-39.3172.9-58.8-45.7000111.8F223 R224 S225 Y226 R231 H232F223-D228 HydrophobicContact CB-CB 3.97Å; F223-D228 HydrophobicContact CD1-CB 3.84Å; F223-D228 HydrophobicContact CG-CB 4.31Å; R224-D228 PolarHBondContact N-OD2 2.79Å; S225-D228 PolarHBondContact N-OD2 2.81Å; S225-D228 WeakPolarHBondContact O-CB 3.27Å; S225-D228 PolarHBondContact O-N 3.16Å; S225-D228 VanDerWaalsContact O-N 3.09Å; S225-D228 PolarHBondContact OG-N 2.92Å; S225-D228 VanDerWaalsContact OG-N 3.17Å; S225-D228 PolarHBondContact OG-OD2 3.5Å; Y226-D228 PolarHBondContact O-N 2.99Å; D228-R231 PolarHBondContact O-N 2.93Å; D228-R231 IonicContact OD1-CZ 3.64Å; D228-R231 IonicContact OD1-NE 2.73Å; D228-R231 IonicContact OD1-NH2 2.68Å; D228-R231 PolarHBondContact OD1-NH2 3.32Å; D228-H232 WeakPolarHBondContact O-CB 3.46Å; D228-H232 PolarHBondContact O-N 2.84Å
229F94.1Very high92.5Very high1 Ų152.3 Ų52.30%0.00427%0.267CS..Hα-helixtrans-61.7-47.1170.6-73.1-79.4000111I217 F223 Y226 R231 H232 W233 L241 Y251 T265 P267I217-F229 HydrophobicContact CD1-CD2 4.4Å; I217-F229 HydrophobicContact CD1-CE2 3.91Å; I217-F229 HydrophobicContact CG1-CE2 4.19Å; I217-F229 HydrophobicContact CG2-CE2 4.41Å; F223-F229 HydrophobicContact CB-CD2 4.14Å; F223-F229 HydrophobicContact CB-CE2 3.85Å; F223-F229 HydrophobicContact CB-CZ 4.08Å; F223-F229 AromaticContact CD2-CD1 3.71Å; F223-F229 HydrophobicContact CD2-CD1 3.71Å; F223-F229 HydrophobicContact CD2-CD2 4.44Å; F223-F229 AromaticContact CD2-CE1 3.25Å; F223-F229 HydrophobicContact CD2-CE1 3.25Å; F223-F229 HydrophobicContact CD2-CE2 4.06Å; F223-F229 HydrophobicContact CD2-CG 4.3Å; F223-F229 AromaticContact CD2-CZ 3.46Å; F223-F229 HydrophobicContact CD2-CZ 3.46Å; F223-F229 VanDerWaalsContact CD2-CZ 3.46Å; F223-F229 AromaticContact CE2-CD1 3.94Å; F223-F229 HydrophobicContact CE2-CD1 3.94Å; F223-F229 AromaticContact CE2-CE1 3.62Å; F223-F229 HydrophobicContact CE2-CE1 3.62Å; F223-F229 HydrophobicContact CE2-CZ 4.28Å; F223-F229 HydrophobicContact CG-CD1 4.27Å; F223-F229 HydrophobicContact CG-CD2 4.41Å; F223-F229 HydrophobicContact CG-CE1 4.1Å; F223-F229 HydrophobicContact CG-CE2 4.25Å; F223-F229 HydrophobicContact CG-CG 4.43Å; F223-F229 HydrophobicContact CG-CZ 4.11Å; Y226-F229 WeakPolarHBondContact O-CB 3.33Å; Y226-F229 PolarHBondContact O-N 2.83Å; Y226-F229 VanDerWaalsContact O-N 3.11Å; F229-R231 PolarHBondContact O-N 3.37Å; F229-H232 PolarHBondContact O-N 2.93Å; F229-W233 WeakPolarHBondContact O-CB 3.32Å; F229-W233 PolarHBondContact O-N 3.47Å; F229-L241 HydrophobicContact CB-CD1 4.07Å; F229-Y251 HydrophobicContact CD2-CE1 4.05Å; F229-Y251 HydrophobicContact CE2-CD1 4.1Å; F229-Y251 AromaticContact CE2-CE1 3.75Å; F229-Y251 HydrophobicContact CE2-CE1 3.75Å; F229-Y251 HydrophobicContact CZ-CD1 4.41Å; F229-Y251 HydrophobicContact CZ-CE1 4.49Å; F229-T265 WeakPolarHBondContact CE1-O 3.39Å; F229-T265 HydrophobicContact CZ-CG2 4.19Å; F229-P267 HydrophobicContact CB-CG 4.06Å; F229-P267 HydrophobicContact CD1-CG 3.93Å; F229-P267 HydrophobicContact CD2-CG 4.25Å; F229-P267 HydrophobicContact CE1-CG 4.38Å; F229-P267 HydrophobicContact CG-CG 3.84Å
230Q94.4Very high92.9Very high56 Ų5649.8 Ų49.826%0.26225%0.245SC..Hα-helixtrans-55.2-52.2176.1-67.4-178.6-44.100111.4Y226 H232 W233 D234 L241 P242Y226-Q230 HydrophobicContact CD1-CG 3.94Å; Y226-Q230 HydrophobicContact CE1-CG 3.73Å; Y226-Q230 PolarHBondContact O-N 3.44Å; Q230-H232 PolarHBondContact O-N 2.93Å; Q230-W233 PolarHBondContact O-N 3.26Å; Q230-D234 WeakPolarHBondContact O-CB 3.41Å; Q230-D234 PolarHBondContact O-N 3.11Å; Q230-D234 VanDerWaalsContact O-N 3.08Å; Q230-L241 HydrophobicContact CG-CB 4.16Å; Q230-P242 PolarHBondContact NE2-O 2.91Å
231R94.6Very high93.3Very high169 Ų16945.1 Ų45.164%0.63822%0.219SC*.Hα-helixtrans-62.8-39.1178.4-71.4-175.4-67.2-166.23.3112.7G227 D228 F229 A235G227-R231 WeakPolarHBondContact O-CB 3.47Å; G227-R231 VanDerWaalsContact O-CG 3.25Å; G227-R231 WeakPolarHBondContact O-CG 3.45Å; G227-R231 PolarHBondContact O-N 3.41Å; G227-R231 PolarHBondContact O-NE 2.93Å; D228-R231 PolarHBondContact O-N 2.93Å; D228-R231 IonicContact OD1-CZ 3.64Å; D228-R231 IonicContact OD1-NE 2.73Å; D228-R231 IonicContact OD1-NH2 2.68Å; D228-R231 PolarHBondContact OD1-NH2 3.32Å; F229-R231 PolarHBondContact O-N 3.37Å; R231-A235 WeakPolarHBondContact O-CB 3.47Å; R231-A235 PolarHBondContact O-N 2.98Å; R231-A235 VanDerWaalsContact O-N 3.07Å
232H94.5Very high93.4Very high33 Ų3346.9 Ų46.915%0.15323%0.231CC..Hα-helixtrans-66-48.5178.2-179.7108.5000111.9F223 D228 F229 Q230 A235 L236F223-H232 HydrophobicContact CE1-CB 3.76Å; F223-H232 AromaticContact CE1-CG 3.76Å; F223-H232 AromaticContact CE1-ND1 3.46Å; F223-H232 WeakPolarHBondContact CE1-ND1 3.43Å; F223-H232 HydrophobicContact CZ-CB 4.07Å; F223-H232 AromaticContact CZ-CE1 3.79Å; F223-H232 AromaticContact CZ-CG 3.66Å; F223-H232 AromaticContact CZ-ND1 3.36Å; F223-H232 WeakPolarHBondContact CZ-ND1 3.36Å; D228-H232 WeakPolarHBondContact O-CB 3.46Å; D228-H232 PolarHBondContact O-N 2.84Å; F229-H232 PolarHBondContact O-N 2.93Å; Q230-H232 PolarHBondContact O-N 2.93Å; H232-A235 PolarHBondContact O-N 2.91Å; H232-L236 PolarHBondContact O-N 3.3Å
233W95.4Very high93.2Very high6 Ų648.4 Ų48.42%0.02323%0.229CC..Hα-helixtrans-69.5-34.9-176.1-82.973.1000112.7L202 F229 Q230 Y237 G238 Y239 L241 Y266 C270L202-W233 VanDerWaalsContact C-CH2 3.47Å; L202-W233 HydrophobicContact CB-CH2 3.81Å; L202-W233 HydrophobicContact CB-CZ3 3.8Å; L202-W233 WeakPolarHBondContact O-CH2 3.48Å; F229-W233 WeakPolarHBondContact O-CB 3.32Å; F229-W233 PolarHBondContact O-N 3.47Å; Q230-W233 PolarHBondContact O-N 3.26Å; W233-Y237 HydrophobicContact CD2-CD2 4.1Å; W233-Y237 HydrophobicContact CD2-CE2 4.32Å; W233-Y237 AromaticContact CE3-CD2 3.67Å; W233-Y237 HydrophobicContact CE3-CD2 3.67Å; W233-Y237 HydrophobicContact CE3-CE2 4.12Å; W233-Y237 HydrophobicContact CZ3-CD2 4.09Å; W233-Y237 HydrophobicContact CZ3-CE2 4.3Å; W233-Y237 WeakPolarHBondContact O-CA 3.44Å; W233-Y237 WeakPolarHBondContact O-CB 3.4Å; W233-Y237 PolarHBondContact O-N 3.23Å; W233-G238 PolarHBondContact O-N 3.17Å; W233-Y239 AromaticContact CE3-CD2 3.43Å; W233-Y239 HydrophobicContact CE3-CD2 3.43Å; W233-Y239 VanDerWaalsContact CE3-CD2 3.43Å; W233-Y239 HydrophobicContact CE3-CE2 4.1Å; W233-Y239 AromaticContact CE3-CG 3.9Å; W233-Y239 HydrophobicContact CE3-CG 3.9Å; W233-Y239 AromaticContact CZ3-CD2 3.54Å; W233-Y239 HydrophobicContact CZ3-CD2 3.54Å; W233-Y239 AromaticContact CZ3-CE2 3.73Å; W233-Y239 HydrophobicContact CZ3-CE2 3.73Å; W233-Y239 HydrophobicContact CZ3-CG 4.36Å; W233-Y239 PolarHBondContact O-N 3.44Å; W233-L241 HydrophobicContact CB-CD1 4.06Å; W233-L241 HydrophobicContact CB-CD2 4.04Å; W233-L241 HydrophobicContact CB-CG 3.96Å; W233-L241 HydrophobicContact CD2-CD2 4.12Å; W233-L241 HydrophobicContact CE3-CD2 4.19Å; W233-L241 HydrophobicContact CG-CD1 3.96Å; W233-L241 HydrophobicContact CG-CD2 4.07Å; W233-L241 HydrophobicContact CG-CG 4.24Å; W233-Y266 AromaticContact CZ2-CD1 3.79Å; W233-Y266 HydrophobicContact CZ2-CD1 3.79Å; W233-Y266 AromaticContact CZ2-CE1 3.95Å; W233-Y266 HydrophobicContact CZ2-CE1 3.95Å; W233-C270 HydrophobicContact CH2-CB 3.65Å; W233-C270 HydrophobicContact CZ2-CB 3.59Å; W233-C270 HydrophobicContact CZ3-CB 4.37Å
234D95.1Very high92.4Very high55 Ų5551 Ų5129%0.29425%0.245SC..Hα-helixtrans-67.4-43.3171.4-166.423.5000111.8R45 Q230 L236 G238 K240R45-D234 PolarHBondContact NE-O 3.11Å; Q230-D234 WeakPolarHBondContact O-CB 3.41Å; Q230-D234 PolarHBondContact O-N 3.11Å; Q230-D234 VanDerWaalsContact O-N 3.08Å; D234-L236 PolarHBondContact O-N 3.01Å; D234-G238 WeakPolarHBondContact O-CA 3.32Å; D234-G238 PolarHBondContact O-N 3.04Å; D234-K240 IonicContact OD1-NZ 2.67Å; D234-K240 PolarHBondContact OD1-NZ 2.8Å; D234-K240 IonicContact OD2-NZ 3.47Å; D234-K240 PolarHBondContact OD2-NZ 3.01Å
235A94.2Very high91.1Very high29 Ų2947.1 Ų47.124%0.2424%0.244CC..Hα-helixtrans-73.6-22.2-179.500000114.9K42 R45 R231 H232K42-A235 HydrophobicContact CG-CB 4.29Å; R45-A235 WeakPolarHBondContact CD-O 3.45Å; R231-A235 WeakPolarHBondContact O-CB 3.47Å; R231-A235 PolarHBondContact O-N 2.98Å; R231-A235 VanDerWaalsContact O-N 3.07Å; H232-A235 PolarHBondContact O-N 2.91Å
236L93.4Very high89.7Confident9 Ų948.1 Ų48.15%0.04726%0.262CS..Hα-helixtrans-93.3-44.4172.2-96.978.6000113T38 M41 K42 H232 D234T38-L236 HydrophobicContact CG2-CD1 3.99Å; T38-L236 HydrophobicContact CG2-CD2 4.48Å; M41-L236 HydrophobicContact CB-CD2 4.44Å; M41-L236 HydrophobicContact CB-CG 4.12Å; K42-L236 HydrophobicContact CD-CD1 4.03Å; K42-L236 HydrophobicContact CG-CD1 3.51Å; K42-L236 HydrophobicContact CG-CG 4.44Å; H232-L236 PolarHBondContact O-N 3.3Å; D234-L236 PolarHBondContact O-N 3.01Å
237Y94.4Very high88.8Confident74 Ų7455 Ų5529%0.2929%0.292SS..Hα-helixtrans-124.9-12.7-163.1-49.6-53000113.9M41 P203 W233 Y239M41-Y237 HydrophobicContact CE-CD1 4.41Å; M41-Y237 HydrophobicContact CE-CE1 4.24Å; P203-Y237 VanDerWaalsContact CD-CE2 3.45Å; P203-Y237 HydrophobicContact CG-CD1 3.66Å; P203-Y237 HydrophobicContact CG-CD2 4.04Å; P203-Y237 HydrophobicContact CG-CE1 3.61Å; P203-Y237 HydrophobicContact CG-CE2 3.99Å; P203-Y237 HydrophobicContact CG-CG 3.87Å; W233-Y237 HydrophobicContact CD2-CD2 4.1Å; W233-Y237 HydrophobicContact CD2-CE2 4.32Å; W233-Y237 AromaticContact CE3-CD2 3.67Å; W233-Y237 HydrophobicContact CE3-CD2 3.67Å; W233-Y237 HydrophobicContact CE3-CE2 4.12Å; W233-Y237 HydrophobicContact CZ3-CD2 4.09Å; W233-Y237 HydrophobicContact CZ3-CE2 4.3Å; W233-Y237 WeakPolarHBondContact O-CA 3.44Å; W233-Y237 WeakPolarHBondContact O-CB 3.4Å; W233-Y237 PolarHBondContact O-N 3.23Å; Y237-Y239 PolarHBondContact O-N 2.74Å
238G95Very high88.1Confident0 Ų058.2 Ų58.20%030%0.303CS..  trans76.38.2-171.800000114.5W233 D234 K240W233-G238 PolarHBondContact O-N 3.17Å; D234-G238 WeakPolarHBondContact O-CA 3.32Å; D234-G238 PolarHBondContact O-N 3.04Å; G238-K240 PolarHBondContact O-N 3.02Å
239Y95.9Very high87.8Confident1 Ų158.3 Ų58.30%0.00430%0.302CS..  trans-70118.5-178.5-87.340.7000110N119 R120 T121 F131 L132 L202 P203 W233 Y237 L241N119-Y239 HydrophobicContact CB-CE1 4.16Å; R120-Y239 PolarHBondContact O-OH 2.82Å; T121-Y239 PolarHBondContact OG1-OH 3.31Å; F131-Y239 HydrophobicContact CE1-CD2 4.47Å; F131-Y239 HydrophobicContact CE1-CE2 4.4Å; F131-Y239 HydrophobicContact CE2-CE2 4.43Å; F131-Y239 HydrophobicContact CZ-CD1 4.45Å; F131-Y239 HydrophobicContact CZ-CD2 4.05Å; F131-Y239 HydrophobicContact CZ-CE1 4.03Å; F131-Y239 AromaticContact CZ-CE2 3.57Å; F131-Y239 HydrophobicContact CZ-CE2 3.57Å; F131-Y239 HydrophobicContact CZ-CG 4.46Å; F131-Y239 AromaticContact CZ-CZ 3.55Å; L132-Y239 HydrophobicContact CD1-CD2 4.01Å; L132-Y239 HydrophobicContact CD2-CD2 3.95Å; L132-Y239 HydrophobicContact CD2-CE2 3.88Å; L132-Y239 HydrophobicContact CG-CD2 4.43Å; L202-Y239 HydrophobicContact CB-CE2 3.94Å; L202-Y239 HydrophobicContact CD1-CE2 4.25Å; P203-Y239 WeakPolarHBondContact CA-OH 3.17Å; P203-Y239 HydrophobicContact CB-CE1 4.07Å; P203-Y239 HydrophobicContact CB-CE2 4.47Å; P203-Y239 WeakPolarHBondContact CB-OH 3.33Å; W233-Y239 AromaticContact CE3-CD2 3.43Å; W233-Y239 HydrophobicContact CE3-CD2 3.43Å; W233-Y239 VanDerWaalsContact CE3-CD2 3.43Å; W233-Y239 HydrophobicContact CE3-CE2 4.1Å; W233-Y239 AromaticContact CE3-CG 3.9Å; W233-Y239 HydrophobicContact CE3-CG 3.9Å; W233-Y239 AromaticContact CZ3-CD2 3.54Å; W233-Y239 HydrophobicContact CZ3-CD2 3.54Å; W233-Y239 AromaticContact CZ3-CE2 3.73Å; W233-Y239 HydrophobicContact CZ3-CE2 3.73Å; W233-Y239 HydrophobicContact CZ3-CG 4.36Å; W233-Y239 PolarHBondContact O-N 3.44Å; Y237-Y239 PolarHBondContact O-N 2.74Å; Y239-L241 PolarHBondContact O-N 3.17Å
240K95.3Very high87.8Confident61 Ų6159.6 Ų59.627%0.26531%0.308SS..  trans-83.295.8167.4-56.7-46.8-169.5-169.10108.6P116 R129 D234 G238P116-K240 HydrophobicContact CB-CG 3.95Å; P116-K240 HydrophobicContact CG-CG 4.32Å; R129-K240 HydrophobicContact CG-CB 4.07Å; R129-K240 HydrophobicContact CG-CG 3.89Å; D234-K240 IonicContact OD1-NZ 2.67Å; D234-K240 PolarHBondContact OD1-NZ 2.8Å; D234-K240 IonicContact OD2-NZ 3.47Å; D234-K240 PolarHBondContact OD2-NZ 3.01Å; G238-K240 PolarHBondContact O-N 3.02Å
241L94.3Very high87.8Confident10 Ų1057.4 Ų57.45%0.05230%0.298CS..PPolyproline II helixtrans-63.6151.4170.3-52.2-171.6000109.5L132 F229 Q230 W233 Y239 C270L132-L241 HydrophobicContact CD1-CD2 3.55Å; F229-L241 HydrophobicContact CB-CD1 4.07Å; Q230-L241 HydrophobicContact CG-CB 4.16Å; W233-L241 HydrophobicContact CB-CD1 4.06Å; W233-L241 HydrophobicContact CB-CD2 4.04Å; W233-L241 HydrophobicContact CB-CG 3.96Å; W233-L241 HydrophobicContact CD2-CD2 4.12Å; W233-L241 HydrophobicContact CE3-CD2 4.19Å; W233-L241 HydrophobicContact CG-CD1 3.96Å; W233-L241 HydrophobicContact CG-CD2 4.07Å; W233-L241 HydrophobicContact CG-CG 4.24Å; Y239-L241 PolarHBondContact O-N 3.17Å; L241-C270 VanDerWaalsContact CD2-SG 3.57Å
242P90.4Very high87.8Confident41 Ų4149.4 Ų49.427%0.26627%0.268SS..PPolyproline II helixtrans-52.1153.1179.3-27.635.8000113.4Y226 Q230Y226-P242 WeakPolarHBondContact CE1-O 3.23Å; Q230-P242 PolarHBondContact NE2-O 2.91Å
243E83.8Confident87.9Confident132 Ų13248.5 Ų48.562%0.61726%0.264SS*.PPolyproline II helixtrans-77.2157.5-178.9-68179.7-173.500112.3R129 C245R129-E243 IonicContact NH2-OE1 2.68Å; R129-E243 PolarHBondContact NH2-OE1 3.12Å; E243-C245 VanDerWaalsContact C-N 3.29Å; E243-C245 PolarHBondContact O-N 3.49Å
244D73.6Confident87.9Confident91 Ų9148.2 Ų48.249%0.48726%0.263SS..  trans-8273.8-178.7-157.4-31.1000111.8G246 K249D244-G246 PolarHBondContact O-N 2.88Å; D244-G246 PolarHBondContact OD1-N 3.02Å; D244-K249 WeakPolarHBondContact OD1-CE 3.34Å; D244-K249 IonicContact OD1-NZ 3.35Å; D244-K249 PolarHBondContact OD1-NZ 3.47Å; D244-K249 WeakPolarHBondContact OD2-CE 3.39Å; D244-K249 IonicContact OD2-NZ 3.83Å; D244-K249 PolarHBondContact OD2-NZ 2.67Å
245C63.8Low87.9Confident95 Ų9548.5 Ų48.564%0.64226%0.26SS*.  trans-75.734.1177.9-46.70000113.3E243 K247E243-C245 VanDerWaalsContact C-N 3.29Å; E243-C245 PolarHBondContact O-N 3.49Å; C245-K247 PolarHBondContact O-N 2.85Å
246G62.6Low87.8Confident69 Ų6947.8 Ų47.871%0.71125%0.252SS*.SBendtrans66.9-8.6-179.600000116.3D244D244-G246 PolarHBondContact O-N 2.88Å; D244-G246 PolarHBondContact OD1-N 3.02Å
247K73.1Confident87.5Confident164 Ų16455.4 Ų55.471%0.71329%0.285SS*.PPolyproline II helixtrans-61.7137.1176.4-65.1-175.1179.3-1780110.9C245 K249C245-K247 PolarHBondContact O-N 2.85Å; K247-K249 PolarHBondContact O-N 2.95Å; K247-K249 PolarHBondContact O-NZ 2.73Å
248I77.9Confident86.8Confident91 Ų9160.3 Ų60.347%0.46731%0.312SS..PPolyproline II helixtrans-51.6126.5177.8-50.1178.3000109.2H215H215-I248 HydrophobicContact CB-CG2 4.47Å; H215-I248 WeakPolarHBondContact CE1-CG2 2.95Å; H215-I248 VanDerWaalsContact ND1-CG2 3.34Å; H215-I248 WeakPolarHBondContact ND1-CG2 3.15Å
249K88.1Confident85.9Confident37 Ų3764.6 Ų64.616%0.16134%0.335CS..PPolyproline II helixtrans-80.6146.8-179.5-61.2-66176-81.70110.1H215 Y226 D244 K247 Y251H215-K249 PolarHBondContact ND1-O 2.84Å; Y226-K249 HydrophobicContact CD1-CD 4.33Å; Y226-K249 HydrophobicContact CD2-CD 3.73Å; Y226-K249 HydrophobicContact CD2-CG 4.26Å; Y226-K249 HydrophobicContact CE2-CD 3.94Å; Y226-K249 HydrophobicContact CG-CD 3.95Å; Y226-K249 HydrophobicContact CG-CG 4.44Å; D244-K249 WeakPolarHBondContact OD1-CE 3.34Å; D244-K249 IonicContact OD1-NZ 3.35Å; D244-K249 PolarHBondContact OD1-NZ 3.47Å; D244-K249 WeakPolarHBondContact OD2-CE 3.39Å; D244-K249 IonicContact OD2-NZ 3.83Å; D244-K249 PolarHBondContact OD2-NZ 2.67Å; K247-K249 PolarHBondContact O-N 2.95Å; K247-K249 PolarHBondContact O-NZ 2.73Å; K249-Y251 HydrophobicContact CB-CE2 3.66Å
250I93.3Very high84.9Confident28 Ų2866.6 Ų66.614%0.14436%0.355CS..  trans-124.8125.8176.8-58.4174.1000107.3L168 F181 I213 L214 L268L168-I250 HydrophobicContact CD1-CD1 4.26Å; L168-I250 HydrophobicContact CD2-CG2 4.38Å; F181-I250 HydrophobicContact CE1-CD1 4.33Å; F181-I250 HydrophobicContact CE1-CG1 4.23Å; F181-I250 HydrophobicContact CE1-CG2 4.36Å; F181-I250 HydrophobicContact CZ-CG2 4.45Å; I213-I250 HydrophobicContact CG2-CG2 3.39Å; L214-I250 WeakPolarHBondContact O-CA 3.47Å; I250-L268 HydrophobicContact CB-CB 4Å; I250-L268 HydrophobicContact CB-CD2 4.09Å; I250-L268 HydrophobicContact CD1-CD2 3.94Å; I250-L268 HydrophobicContact CG2-CB 4.06Å; I250-L268 HydrophobicContact CG2-CD2 4.06Å; I250-L268 HydrophobicContact CG2-CG 4.45Å; I250-L268 PolarHBondContact O-N 3.07Å
251Y95.2Very high84.1Confident11 Ų1172.4 Ų72.44%0.04338%0.384CS..EExtended strand (participates in β ladder)trans-117.6148.6176.1-53.2-83.2000109.4I213 L214 H215 I217 Y226 F229 K249 T265 Y266 P267I213-Y251 CarbonylContact C-O 3.59Å; I213-Y251 WeakPolarHBondContact CA-O 3.47Å; I213-Y251 WeakPolarHBondContact CG2-O 3.43Å; L214-Y251 PolarHBondContact N-O 2.87Å; L214-Y251 PolarHBondContact O-N 3.14Å; H215-Y251 WeakPolarHBondContact O-CE2 3.3Å; I217-Y251 HydrophobicContact CD1-CE1 4.27Å; I217-Y251 HydrophobicContact CG1-CD1 4.38Å; I217-Y251 HydrophobicContact CG1-CD2 4.22Å; I217-Y251 HydrophobicContact CG1-CE1 3.87Å; I217-Y251 HydrophobicContact CG1-CE2 3.7Å; Y226-Y251 HydrophobicContact CD2-CE1 4.1Å; F229-Y251 HydrophobicContact CD2-CE1 4.05Å; F229-Y251 HydrophobicContact CE2-CD1 4.1Å; F229-Y251 AromaticContact CE2-CE1 3.75Å; F229-Y251 HydrophobicContact CE2-CE1 3.75Å; F229-Y251 HydrophobicContact CZ-CD1 4.41Å; F229-Y251 HydrophobicContact CZ-CE1 4.49Å; K249-Y251 HydrophobicContact CB-CE2 3.66Å; Y251-T265 HydrophobicContact CD1-CG2 4.41Å; Y251-T265 HydrophobicContact CG-CG2 4.38Å; Y251-Y266 CarbonylContact C-O 3.6Å; Y251-Y266 VanDerWaalsContact CA-O 3.3Å; Y251-Y266 WeakPolarHBondContact CA-O 3.3Å; Y251-P267 HydrophobicContact CD1-CB 4.45Å; Y251-P267 HydrophobicContact CD1-CG 4.23Å; Y251-P267 HydrophobicContact CE1-CG 4.22Å
252C95.6Very high83.6Confident0 Ų078.4 Ų78.40%041%0.406CS..EExtended strand (participates in β ladder)trans-122.9128175-57.50000107.8I210 I254 Y266 I271I210-C252 HydrophobicContact CG2-CB 4.35Å; C252-I254 HydrophobicContact CB-CG1 4.34Å; C252-Y266 PolarHBondContact N-O 3.31Å; C252-Y266 PolarHBondContact O-N 3.27Å; C252-I271 HydrophobicContact CB-CD1 4.26Å
253N95.6Very high83.7Confident14 Ų1478.8 Ų78.88%0.07541%0.407CS..EExtended strand (participates in β ladder)trans-85.5121.3168.4-76-32.5000108.8I211 N212 L214 T265I211-N253 PolarHBondContact N-O 3.26Å; N212-N253 PolarHBondContact O-N 3.13Å; N212-N253 WeakPolarHBondContact OD1-CB 3.41Å; N212-N253 PolarHBondContact OD1-ND2 3.24Å; L214-N253 VanDerWaalsContact CD1-ND2 3.3Å; L214-N253 WeakPolarHBondContact CD1-ND2 3.21Å; N253-T265 WeakPolarHBondContact OD1-CA 3.36Å; N253-T265 WeakPolarHBondContact OD1-CB 3.46Å; N253-T265 PolarHBondContact OD1-OG1 2.92Å
254I95.4Very high84.1Confident0 Ų074.8 Ų74.80%039%0.388CS..EExtended strand (participates in β ladder)trans-113.5129.9-171.8-50.1177.2000110.2V201 Q209 C252 F256 T263 F264 Y266 I271V201-I254 HydrophobicContact CG1-CD1 4.32Å; V201-I254 HydrophobicContact CG2-CD1 3.49Å; V201-I254 VanDerWaalsContact CG2-CD1 3.49Å; V201-I254 HydrophobicContact CG2-CG2 4.13Å; Q209-I254 CarbonylContact O-C 3.52Å; Q209-I254 WeakPolarHBondContact O-CA 3.32Å; C252-I254 HydrophobicContact CB-CG1 4.34Å; I254-F256 HydrophobicContact CG2-CE1 4.3Å; I254-F256 HydrophobicContact CG2-CE2 4.3Å; I254-F256 HydrophobicContact CG2-CZ 4.13Å; I254-T263 CarbonylContact O-C 3.59Å; I254-T263 WeakPolarHBondContact O-CA 3.25Å; I254-F264 PolarHBondContact N-O 2.88Å; I254-F264 PolarHBondContact O-N 2.79Å; I254-Y266 HydrophobicContact CB-CD2 4.17Å; I254-Y266 HydrophobicContact CB-CE2 4.37Å; I254-Y266 HydrophobicContact CD1-CD2 3.33Å; I254-Y266 HydrophobicContact CD1-CE2 4.01Å; I254-Y266 HydrophobicContact CD1-CG 4.05Å; I254-Y266 HydrophobicContact CG1-CD2 3.85Å; I254-I271 HydrophobicContact CD1-CG2 3.34Å
255Y94.6Very high85.1Confident61 Ų6171 Ų7124%0.23937%0.368CS..EExtended strand (participates in β ladder)trans-96.5134172.3174.7-104.4000110.9G208 Q209 I211 K257 G260G208-Y255 WeakPolarHBondContact CA-O 3.49Å; Q209-Y255 PolarHBondContact N-O 2.98Å; Q209-Y255 PolarHBondContact O-N 2.87Å; I211-Y255 HydrophobicContact CD1-CG 4.43Å; Y255-K257 HydrophobicContact CE1-CB 4Å; Y255-G260 WeakPolarHBondContact CE2-O 3.13Å
256F92.8Very high86.6Confident15 Ų1568.7 Ų68.77%0.06635%0.346CS..  trans-119.7108.6173.8-63.2-77.5000110V201 K206 I254 M258 L259 F264 Y266V201-F256 HydrophobicContact CB-CE1 4.27Å; V201-F256 HydrophobicContact CB-CZ 3.9Å; V201-F256 HydrophobicContact CG1-CZ 4.17Å; V201-F256 HydrophobicContact CG2-CE1 3.82Å; V201-F256 HydrophobicContact CG2-CZ 3.61Å; K206-F256 HydrophobicContact CB-CE1 4.31Å; I254-F256 HydrophobicContact CG2-CE1 4.3Å; I254-F256 HydrophobicContact CG2-CE2 4.3Å; I254-F256 HydrophobicContact CG2-CZ 4.13Å; F256-M258 PolarHBondContact O-N 3.46Å; F256-L259 HydrophobicContact CB-CB 4.14Å; F256-L259 HydrophobicContact CB-CD1 3.89Å; F256-L259 HydrophobicContact CB-CG 4.01Å; F256-L259 HydrophobicContact CD2-CD1 3.85Å; F256-L259 HydrophobicContact CG-CD1 4.05Å; F256-L259 PolarHBondContact O-N 3.08Å; F256-F264 AromaticContact CD2-CD2 3.9Å; F256-F264 HydrophobicContact CD2-CD2 3.9Å; F256-F264 HydrophobicContact CD2-CE2 4.35Å; F256-F264 HydrophobicContact CE2-CD2 4.2Å; F256-Y266 HydrophobicContact CE2-CE2 4.05Å; F256-Y266 HydrophobicContact CZ-CE2 4.32Å
257K86.3Confident88.2Confident169 Ų16965.5 Ų65.574%0.73531%0.313SS*.THydrogen-bonded Turntrans-51.2-23.7-179-171.9172.4-179.1176.50115.2Y255Y255-K257 HydrophobicContact CE1-CB 4Å
258M79.3Confident89.2Confident176 Ų17659 Ų5987%0.86729%0.286SS*.THydrogen-bonded Turntrans-94.85.3-179.8-55.3-58.8-173.900114.4F256F256-M258 PolarHBondContact O-N 3.46Å
259L76.1Confident89.9Confident90 Ų9055.6 Ų55.647%0.47127%0.27SS..SBendtrans-122.821.3-178.7-60.6179.6000112.9F256 F264F256-L259 HydrophobicContact CB-CB 4.14Å; F256-L259 HydrophobicContact CB-CD1 3.89Å; F256-L259 HydrophobicContact CB-CG 4.01Å; F256-L259 HydrophobicContact CD2-CD1 3.85Å; F256-L259 HydrophobicContact CG-CD1 4.05Å; F256-L259 PolarHBondContact O-N 3.08Å; L259-F264 HydrophobicContact CB-CE2 4.49Å; L259-F264 HydrophobicContact CD1-CE2 4.23Å
260G75.6Confident90.3Very high43 Ų4353.8 Ų53.844%0.44326%0.262SS..THydrogen-bonded Turntrans78.6-154.5-176.400000112.7Y255 R262Y255-G260 WeakPolarHBondContact CE2-O 3.13Å; G260-R262 VanDerWaalsContact C-N 3.35Å
261E78.4Confident90.4Very high184 Ų18452.5 Ų52.586%0.8626%0.255SS*.THydrogen-bonded Turntrans-83.4-9.7-174.7-62.7-175.2158.300113.9T263E261-T263 PolarHBondContact O-N 3.45Å
262R85Confident90.5Very high136 Ų13652 Ų5251%0.51325%0.254SS..  trans-69.3126.7-173.7-173.5169.6-171.3170.67.6112.6G260 F264G260-R262 VanDerWaalsContact C-N 3.35Å; R262-F264 HydrophobicContact CB-CE2 4.15Å; R262-F264 HydrophobicContact CB-CZ 4.36Å; R262-F264 HydrophobicContact CG-CE1 4.44Å; R262-F264 HydrophobicContact CG-CE2 3.99Å; R262-F264 HydrophobicContact CG-CZ 3.95Å; R262-F264 WeakPolarHBondContact O-CD2 3.1Å; R262-F264 WeakPolarHBondContact O-CE2 3.26Å
263T90.6Very high90.5Very high49 Ų4953 Ų5330%0.30126%0.26SS..EExtended strand (participates in β ladder)trans-83.4156.1165.948.40000111.5I211 I254 E261I211-T263 HydrophobicContact CG1-CG2 4.05Å; I254-T263 CarbonylContact O-C 3.59Å; I254-T263 WeakPolarHBondContact O-CA 3.25Å; E261-T263 PolarHBondContact O-N 3.45Å
264F92.9Very high90.4Very high47 Ų4756.6 Ų56.621%0.20628%0.277CS..EExtended strand (participates in β ladder)trans-133.7122.2178.2-64.4-94.1000109.8I254 F256 L259 R262 Y266I254-F264 PolarHBondContact N-O 2.88Å; I254-F264 PolarHBondContact O-N 2.79Å; F256-F264 AromaticContact CD2-CD2 3.9Å; F256-F264 HydrophobicContact CD2-CD2 3.9Å; F256-F264 HydrophobicContact CD2-CE2 4.35Å; F256-F264 HydrophobicContact CE2-CD2 4.2Å; L259-F264 HydrophobicContact CB-CE2 4.49Å; L259-F264 HydrophobicContact CD1-CE2 4.23Å; R262-F264 HydrophobicContact CB-CE2 4.15Å; R262-F264 HydrophobicContact CB-CZ 4.36Å; R262-F264 HydrophobicContact CG-CE1 4.44Å; R262-F264 HydrophobicContact CG-CE2 3.99Å; R262-F264 HydrophobicContact CG-CZ 3.95Å; R262-F264 WeakPolarHBondContact O-CD2 3.1Å; R262-F264 WeakPolarHBondContact O-CE2 3.26Å; F264-Y266 HydrophobicContact CB-CD2 4.22Å; F264-Y266 HydrophobicContact CB-CE2 3.49Å; F264-Y266 VanDerWaalsContact CB-CE2 3.49Å; F264-Y266 VanDerWaalsContact O-CD2 3.26Å; F264-Y266 WeakPolarHBondContact O-CD2 3.39Å
265T95.3Very high90.3Very high11 Ų1159.9 Ų59.97%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-75.6131.3176.6-42.60000111P218 F229 Y251 N253P218-T265 HydrophobicContact CG-CG2 4.45Å; F229-T265 WeakPolarHBondContact CE1-O 3.39Å; F229-T265 HydrophobicContact CZ-CG2 4.19Å; Y251-T265 HydrophobicContact CD1-CG2 4.41Å; Y251-T265 HydrophobicContact CG-CG2 4.38Å; N253-T265 WeakPolarHBondContact OD1-CA 3.36Å; N253-T265 WeakPolarHBondContact OD1-CB 3.46Å; N253-T265 PolarHBondContact OD1-OG1 2.92Å
266Y95.5Very high90.3Very high47 Ų4758.2 Ų58.218%0.18429%0.293CS..EExtended strand (participates in β ladder)trans-134.8143.5173.7-66.6-80.9000111.3V201 W233 Y251 C252 I254 F256 F264V201-Y266 HydrophobicContact CG1-CD1 4.2Å; V201-Y266 HydrophobicContact CG1-CD2 4.13Å; V201-Y266 HydrophobicContact CG1-CE1 3.97Å; V201-Y266 HydrophobicContact CG1-CE2 3.86Å; V201-Y266 HydrophobicContact CG1-CG 4.25Å; W233-Y266 AromaticContact CZ2-CD1 3.79Å; W233-Y266 HydrophobicContact CZ2-CD1 3.79Å; W233-Y266 AromaticContact CZ2-CE1 3.95Å; W233-Y266 HydrophobicContact CZ2-CE1 3.95Å; Y251-Y266 CarbonylContact C-O 3.6Å; Y251-Y266 VanDerWaalsContact CA-O 3.3Å; Y251-Y266 WeakPolarHBondContact CA-O 3.3Å; C252-Y266 PolarHBondContact N-O 3.31Å; C252-Y266 PolarHBondContact O-N 3.27Å; I254-Y266 HydrophobicContact CB-CD2 4.17Å; I254-Y266 HydrophobicContact CB-CE2 4.37Å; I254-Y266 HydrophobicContact CD1-CD2 3.33Å; I254-Y266 HydrophobicContact CD1-CE2 4.01Å; I254-Y266 HydrophobicContact CD1-CG 4.05Å; I254-Y266 HydrophobicContact CG1-CD2 3.85Å; F256-Y266 HydrophobicContact CE2-CE2 4.05Å; F256-Y266 HydrophobicContact CZ-CE2 4.32Å; F264-Y266 HydrophobicContact CB-CD2 4.22Å; F264-Y266 HydrophobicContact CB-CE2 3.49Å; F264-Y266 VanDerWaalsContact CB-CE2 3.49Å; F264-Y266 VanDerWaalsContact O-CD2 3.26Å; F264-Y266 WeakPolarHBondContact O-CD2 3.39Å
267P95.1Very high90.4Very high2 Ų260.1 Ų60.11%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-60.3147.5165.9-23.434.7000112Y226 F229 Y251 S269 C270Y226-P267 HydrophobicContact CD2-CG 4.49Å; Y226-P267 HydrophobicContact CE2-CB 3.96Å; Y226-P267 HydrophobicContact CE2-CG 3.96Å; F229-P267 HydrophobicContact CB-CG 4.06Å; F229-P267 HydrophobicContact CD1-CG 3.93Å; F229-P267 HydrophobicContact CD2-CG 4.25Å; F229-P267 HydrophobicContact CE1-CG 4.38Å; F229-P267 HydrophobicContact CG-CG 3.84Å; Y251-P267 HydrophobicContact CD1-CB 4.45Å; Y251-P267 HydrophobicContact CD1-CG 4.23Å; Y251-P267 HydrophobicContact CE1-CG 4.22Å; P267-S269 PolarHBondContact O-N 3.24Å; P267-S269 VanDerWaalsContact O-N 3.13Å; P267-C270 WeakPolarHBondContact O-CB 3.39Å; P267-C270 PolarHBondContact O-N 3.36Å
268L94.4Very high90.7Very high28 Ų2855.8 Ų55.815%0.14728%0.283CS..G310 helixtrans-53.5-35.4177.2-173.767.3000112.6P166 F171 I250 C270 I271P166-L268 HydrophobicContact CG-CD1 3.95Å; P166-L268 HydrophobicContact CG-CG 4.42Å; F171-L268 HydrophobicContact CE2-CD1 4.18Å; I250-L268 HydrophobicContact CB-CB 4Å; I250-L268 HydrophobicContact CB-CD2 4.09Å; I250-L268 HydrophobicContact CD1-CD2 3.94Å; I250-L268 HydrophobicContact CG2-CB 4.06Å; I250-L268 HydrophobicContact CG2-CD2 4.06Å; I250-L268 HydrophobicContact CG2-CG 4.45Å; I250-L268 PolarHBondContact O-N 3.07Å; L268-C270 PolarHBondContact O-N 2.84Å; L268-C270 VanDerWaalsContact O-N 3.14Å; L268-I271 HydrophobicContact CD1-CD1 4.05Å; L268-I271 HydrophobicContact CD1-CG1 4.17Å; L268-I271 WeakPolarHBondContact O-CG1 3.49Å; L268-I271 PolarHBondContact O-N 2.84Å
269S93.4Very high91.2Very high19 Ų1950 Ų5013%0.13325%0.254CS..G310 helixtrans-59.5-22.1175.154.70000114.5P267 R272P267-S269 PolarHBondContact O-N 3.24Å; P267-S269 VanDerWaalsContact O-N 3.13Å; S269-R272 PolarHBondContact O-NH1 2.91Å
270C95.9Very high91.4Very high0 Ų051.3 Ų51.30%027%0.268CS..G310 helixtrans-94.6-3.9-176-60.10000113.7L202 W233 L241 P267 L268L202-C270 WeakPolarHBondContact CB-O 3.34Å; L202-C270 WeakPolarHBondContact CG-O 3.35Å; L202-C270 PolarHBondContact N-O 2.94Å; W233-C270 HydrophobicContact CH2-CB 3.65Å; W233-C270 HydrophobicContact CZ2-CB 3.59Å; W233-C270 HydrophobicContact CZ3-CB 4.37Å; L241-C270 VanDerWaalsContact CD2-SG 3.57Å; P267-C270 WeakPolarHBondContact O-CB 3.39Å; P267-C270 PolarHBondContact O-N 3.36Å; L268-C270 PolarHBondContact O-N 2.84Å; L268-C270 VanDerWaalsContact O-N 3.14Å
271I96.4Very high91.6Very high0 Ų060.3 Ų60.30%029%0.288CS..EExtended strand (participates in β ladder)trans-115168.2176.167.8158.9000111.5P166 F171 C199 Y200 V201 I210 C252 I254 L268P166-I271 WeakPolarHBondContact CD-O 3.49Å; P166-I271 HydrophobicContact CG-CD1 4.34Å; P166-I271 HydrophobicContact CG-CG1 3.99Å; F171-I271 HydrophobicContact CZ-CD1 3.81Å; C199-I271 HydrophobicContact CB-CB 4.49Å; C199-I271 HydrophobicContact CB-CD1 4.14Å; Y200-I271 CarbonylContact O-C 3.51Å; Y200-I271 WeakPolarHBondContact O-CA 3.44Å; V201-I271 HydrophobicContact CG2-CG2 4.36Å; I210-I271 HydrophobicContact CD1-CD1 3.96Å; C252-I271 HydrophobicContact CB-CD1 4.26Å; I254-I271 HydrophobicContact CD1-CG2 3.34Å; L268-I271 HydrophobicContact CD1-CD1 4.05Å; L268-I271 HydrophobicContact CD1-CG1 4.17Å; L268-I271 WeakPolarHBondContact O-CG1 3.49Å; L268-I271 PolarHBondContact O-N 2.84Å
272R96.3Very high91.6Very high1 Ų153.5 Ų53.50%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-139.7136.8174.9-64.3-66.7-177.2-92.915109.7L132 L163 P164 C199 Y200 S269L132-R272 PolarHBondContact O-NH2 2.77Å; L163-R272 HydrophobicContact CD1-CB 4.32Å; L163-R272 HydrophobicContact CD1-CG 3.81Å; L163-R272 HydrophobicContact CG-CG 3.97Å; L163-R272 PolarHBondContact O-NE 3.36Å; L163-R272 PolarHBondContact O-NH2 2.9Å; P164-R272 WeakPolarHBondContact O-CD 3.45Å; P164-R272 PolarHBondContact O-NE 3.31Å; C199-R272 CarbonylContact C-O 3.52Å; C199-R272 WeakPolarHBondContact CA-O 3.31Å; C199-R272 WeakPolarHBondContact CB-O 3.3Å; Y200-R272 PolarHBondContact N-O 2.87Å; Y200-R272 PolarHBondContact O-N 2.67Å; S269-R272 PolarHBondContact O-NH1 2.91Å
273S95Very high91.6Very high20 Ų2051.6 Ų51.614%0.1426%0.259CS..SBendtrans-65.7-45.7171.846.80000110.9E170E170-S273 VanDerWaalsContact OE2-CB 3.28Å; E170-S273 WeakPolarHBondContact OE2-CB 3.22Å; E170-S273 PolarHBondContact OE2-OG 3.23Å
274Q93.6Very high91.3Very high90 Ų9052 Ų5242%0.42126%0.264SS..SBendtrans-110.3155.8-174.1-62.5-171.612.300112.6
275P94.2Very high91.1Very high69 Ų6956.5 Ų56.545%0.44829%0.285SS..PPolyproline II helixtrans-68.2171.5168.931.6-36.2000111.4Y200 Q277Y200-P275 HydrophobicContact CE1-CB 4.36Å; Y200-P275 HydrophobicContact CE2-CB 4.19Å; Y200-P275 HydrophobicContact CE2-CG 4.42Å; P275-Q277 PolarHBondContact O-N 3.21Å
276I94.3Very high90.9Very high27 Ų2760.2 Ų60.214%0.13831%0.308CS..PPolyproline II helixtrans-60.6119.1177.3-61.7149000110.3T121 L124 I161 L163 M205 F278T121-I276 HydrophobicContact CG2-CD1 4.38Å; L124-I276 HydrophobicContact CD1-CD1 4.13Å; L124-I276 HydrophobicContact CD1-CG2 3.98Å; I161-I276 HydrophobicContact CB-CG2 3.79Å; I161-I276 HydrophobicContact CG1-CG2 4.42Å; I161-I276 HydrophobicContact CG2-CG2 3.82Å; L163-I276 HydrophobicContact CD1-CB 4.46Å; L163-I276 HydrophobicContact CD1-CG1 3.78Å; L163-I276 HydrophobicContact CD2-CG1 4.15Å; L163-I276 HydrophobicContact CG-CG1 4.46Å; M205-I276 HydrophobicContact CE-CD1 4.48Å; M205-I276 HydrophobicContact CE-CG1 4.19Å; M205-I276 HydrophobicContact CG-CD1 4.18Å; I276-F278 HydrophobicContact CB-CE2 4.26Å; I276-F278 HydrophobicContact CG2-CD2 4.2Å; I276-F278 HydrophobicContact CG2-CE2 3.88Å; I276-F278 HydrophobicContact CG2-CZ 4.13Å
277Q93.9Very high90.8Very high54 Ų5458.3 Ų58.325%0.25230%0.301SS..EExtended strand (participates in β ladder)trans-83.3127.1172.2-59.6176.1-1.500108.9I161 R162 P275 F279I161-Q277 CarbonylContact C-O 3.58Å; I161-Q277 WeakPolarHBondContact CA-O 3.38Å; I161-Q277 WeakPolarHBondContact CB-O 3.41Å; R162-Q277 HydrophobicContact CB-CB 4.25Å; R162-Q277 PolarHBondContact N-O 3.14Å; R162-Q277 PolarHBondContact O-N 3.32Å; P275-Q277 PolarHBondContact O-N 3.21Å; Q277-F279 HydrophobicContact CB-CE2 4.2Å
278F93Very high90.7Very high78 Ų7858.7 Ų58.734%0.34230%0.303SS..EExtended strand (participates in β ladder)trans-102.5145.2175.9-70.9-95.7000111.1L124 I161 I276L124-F278 HydrophobicContact CD1-CE1 4.03Å; L124-F278 HydrophobicContact CD1-CZ 3.94Å; L124-F278 HydrophobicContact CD2-CE1 4.3Å; I161-F278 HydrophobicContact CG2-CD1 3.59Å; I161-F278 HydrophobicContact CG2-CE1 3.8Å; I161-F278 HydrophobicContact CG2-CG 4.18Å; I276-F278 HydrophobicContact CB-CE2 4.26Å; I276-F278 HydrophobicContact CG2-CD2 4.2Å; I276-F278 HydrophobicContact CG2-CE2 3.88Å; I276-F278 HydrophobicContact CG2-CZ 4.13Å
279F90.1Very high90.6Very high55 Ų5564.3 Ų64.324%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-116.1139.4176-64.5-92000110.6K137 T160 R162 Q277K137-F279 HydrophobicContact CD-CD1 4.46Å; K137-F279 HydrophobicContact CD-CG 4.39Å; K137-F279 HydrophobicContact CG-CD2 4.26Å; K137-F279 HydrophobicContact CG-CE2 4.23Å; K137-F279 HydrophobicContact CG-CZ 4.45Å; T160-F279 HydrophobicContact CG2-CB 4.29Å; T160-F279 HydrophobicContact CG2-CD2 4.48Å; T160-F279 PolarHBondContact O-N 3.16Å; R162-F279 HydrophobicContact CB-CE2 3.56Å; R162-F279 HydrophobicContact CB-CZ 4.12Å; Q277-F279 HydrophobicContact CB-CE2 4.2Å
280P81.6Confident90.7Very high118 Ų11865.1 Ų65.177%0.76633%0.332SS*.SBendtrans-77.6-29.7-174.929.6-35.2000113.4V282P280-V282 PolarHBondContact O-N 2.9Å
281R79.1Confident90.7Very high231 Ų23165.1 Ų65.187%0.87233%0.332SS*.  trans-83112174.8-64-171.6-175.3-171.11.5109.1
282V78.5Confident90.5Very high41 Ų4165.9 Ų65.925%0.24834%0.336CS..  trans-130.2130.4179.3-173.60000108A158 P280 S284A158-V282 HydrophobicContact CB-CG1 4.13Å; P280-V282 PolarHBondContact O-N 2.9Å; V282-S284 PolarHBondContact O-N 3.41Å; V282-S284 VanDerWaalsContact O-N 3.16Å
283D84.6Confident90.4Very high96 Ų9669.5 Ų69.551%0.51336%0.361SS..  trans-78.791.2163.9-172.9-31.7000108E285 V286 V287D283-E285 PolarHBondContact OD1-N 3.19Å; D283-V286 HydrophobicContact CB-CB 4.39Å; D283-V286 WeakPolarHBondContact OD1-CB 3.34Å; D283-V286 WeakPolarHBondContact OD1-CG2 3.49Å; D283-V286 PolarHBondContact OD1-N 3.46Å; D283-V286 VanDerWaalsContact OD2-CG2 3.26Å; D283-V286 WeakPolarHBondContact OD2-CG2 3.41Å; D283-V287 WeakPolarHBondContact O-CB 3.32Å; D283-V287 WeakPolarHBondContact O-CG2 3.33Å; D283-V287 PolarHBondContact O-N 3.18Å
284S85.3Confident90.4Very high57 Ų5770.2 Ų70.240%0.39936%0.364SS..Hα-helixtrans-69-34.8-174.653.80000112.2V282 L288V282-S284 PolarHBondContact O-N 3.41Å; V282-S284 VanDerWaalsContact O-N 3.16Å; S284-L288 VanDerWaalsContact O-CB 3.27Å; S284-L288 WeakPolarHBondContact O-CB 3.45Å; S284-L288 WeakPolarHBondContact O-CD1 3.45Å; S284-L288 WeakPolarHBondContact O-CG 3.42Å; S284-L288 PolarHBondContact O-N 2.94Å
285E88.2Confident90.4Very high142 Ų14266 Ų6666%0.66434%0.344SS*.Hα-helixtrans-68.7-48.7-179-168.5-178154.800111.3D283 V287 L288 K289D283-E285 PolarHBondContact OD1-N 3.19Å; E285-V287 VanDerWaalsContact C-N 3.34Å; E285-V287 PolarHBondContact O-N 3.43Å; E285-L288 PolarHBondContact O-N 3.5Å; E285-K289 WeakPolarHBondContact O-CB 3.23Å; E285-K289 PolarHBondContact O-N 3.21Å
286V90.6Very high90.3Very high90 Ų9066.8 Ų66.855%0.54534%0.34SS..Hα-helixtrans-62.3-42.5179172.50000111.1D283 S290D283-V286 HydrophobicContact CB-CB 4.39Å; D283-V286 WeakPolarHBondContact OD1-CB 3.34Å; D283-V286 WeakPolarHBondContact OD1-CG2 3.49Å; D283-V286 PolarHBondContact OD1-N 3.46Å; D283-V286 VanDerWaalsContact OD2-CG2 3.26Å; D283-V286 WeakPolarHBondContact OD2-CG2 3.41Å; V286-S290 WeakPolarHBondContact O-CB 3.5Å; V286-S290 PolarHBondContact O-N 3.18Å
287V93.1Very high90.1Very high6 Ų669 Ų694%0.03636%0.358CS..Hα-helixtrans-63.7-46.7177.9172.20000111.5W118 V141 A158 D283 E285 F291W118-V287 HydrophobicContact CH2-CG1 4.2Å; V141-V287 HydrophobicContact CG1-CG1 3.84Å; A158-V287 HydrophobicContact CB-CB 4.12Å; A158-V287 HydrophobicContact CB-CG1 3.86Å; D283-V287 WeakPolarHBondContact O-CB 3.32Å; D283-V287 WeakPolarHBondContact O-CG2 3.33Å; D283-V287 PolarHBondContact O-N 3.18Å; E285-V287 VanDerWaalsContact C-N 3.34Å; E285-V287 PolarHBondContact O-N 3.43Å; V287-F291 WeakPolarHBondContact O-CB 3.38Å; V287-F291 PolarHBondContact O-N 2.82Å
288L93.1Very high89.9Confident10 Ų1071.1 Ų71.15%0.05237%0.367CS..Hα-helixtrans-66.3-43.6178.1-71.2168.8000112S8 F10 I156 A158 S284 E285 S290 F291 L292S8-L288 VanDerWaalsContact OG-CD1 3.31Å; S8-L288 WeakPolarHBondContact OG-CD1 3.4Å; F10-L288 HydrophobicContact CE2-CD2 4.26Å; I156-L288 HydrophobicContact CB-CD2 3.83Å; I156-L288 HydrophobicContact CG2-CD2 3.51Å; A158-L288 HydrophobicContact CB-CG 4.33Å; S284-L288 VanDerWaalsContact O-CB 3.27Å; S284-L288 WeakPolarHBondContact O-CB 3.45Å; S284-L288 WeakPolarHBondContact O-CD1 3.45Å; S284-L288 WeakPolarHBondContact O-CG 3.42Å; S284-L288 PolarHBondContact O-N 2.94Å; E285-L288 PolarHBondContact O-N 3.5Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-S290 PolarHBondContact O-N 2.93Å; L288-F291 PolarHBondContact O-N 2.82Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CD1 3.21Å; L288-L292 WeakPolarHBondContact O-CG 3.26Å; L288-L292 PolarHBondContact O-N 2.93Å
289K92.8Very high89.6Confident146 Ų14667.4 Ų67.464%0.63535%0.35SS*.Hα-helixtrans-60.4-43.2178.5-174174.2-176.4173.70111.4E285 S293E285-K289 WeakPolarHBondContact O-CB 3.23Å; E285-K289 PolarHBondContact O-N 3.21Å; K289-S293 WeakPolarHBondContact O-CB 3.37Å; K289-S293 PolarHBondContact O-N 3.27Å; K289-S293 VanDerWaalsContact O-N 3.14Å
290S94.6Very high89.5Confident37 Ų3767.4 Ų67.426%0.25936%0.356SS..Hα-helixtrans-64.6-50.4173.7-1660000111.6Q127 V286 L288 L292 S293 D294Q127-S290 PolarHBondContact NE2-OG 2.76Å; V286-S290 WeakPolarHBondContact O-CB 3.5Å; V286-S290 PolarHBondContact O-N 3.18Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-S290 PolarHBondContact O-N 2.93Å; S290-L292 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 2.93Å; S290-S293 WeakPolarHBondContact O-CB 3.12Å; S290-S293 PolarHBondContact O-N 3.36Å; S290-S293 VanDerWaalsContact O-N 3.17Å; S290-D294 PolarHBondContact O-N 3.09Å
291F95.5Very high89.9Confident0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-58-43.3-178.9178.4-94.8000112.6L114 W118 L125 V141 L143 I156 V287 L288 D294 L295L114-F291 HydrophobicContact CD1-CE2 3.83Å; L114-F291 HydrophobicContact CD1-CZ 3.95Å; W118-F291 AromaticContact CD2-CD2 3.7Å; W118-F291 HydrophobicContact CD2-CD2 3.7Å; W118-F291 HydrophobicContact CD2-CE2 4.37Å; W118-F291 AromaticContact CE2-CD2 3.79Å; W118-F291 AromaticContact CE3-CD2 3.95Å; W118-F291 HydrophobicContact CE3-CD2 3.95Å; W118-F291 HydrophobicContact CG-CD2 4.13Å; W118-F291 HydrophobicContact CG-CE2 4.42Å; W118-F291 HydrophobicContact CH2-CB 3.96Å; W118-F291 HydrophobicContact CH2-CD2 4.35Å; W118-F291 HydrophobicContact CZ2-CB 3.71Å; W118-F291 HydrophobicContact CZ2-CD2 4.14Å; W118-F291 HydrophobicContact CZ2-CG 4.46Å; W118-F291 HydrophobicContact CZ3-CD2 4.25Å; L125-F291 HydrophobicContact CD1-CE2 3.89Å; L125-F291 HydrophobicContact CD1-CZ 4.33Å; V141-F291 HydrophobicContact CG1-CB 4.45Å; V141-F291 HydrophobicContact CG1-CD2 4.42Å; V141-F291 HydrophobicContact CG1-CG 4.37Å; V141-F291 HydrophobicContact CG2-CD2 3.65Å; V141-F291 HydrophobicContact CG2-CE2 3.68Å; V141-F291 HydrophobicContact CG2-CG 4.26Å; V141-F291 HydrophobicContact CG2-CZ 4.31Å; L143-F291 HydrophobicContact CD1-CE1 4.45Å; L143-F291 HydrophobicContact CD1-CZ 4.37Å; L143-F291 HydrophobicContact CD2-CZ 4.06Å; I156-F291 HydrophobicContact CD1-CD1 3.85Å; I156-F291 HydrophobicContact CD1-CE1 3.75Å; I156-F291 HydrophobicContact CG2-CD1 4.44Å; V287-F291 WeakPolarHBondContact O-CB 3.38Å; V287-F291 PolarHBondContact O-N 2.82Å; L288-F291 PolarHBondContact O-N 2.82Å; F291-D294 PolarHBondContact O-N 3.49Å; F291-L295 HydrophobicContact CE1-CB 4.46Å; F291-L295 HydrophobicContact CE1-CD2 4.11Å; F291-L295 WeakPolarHBondContact O-CB 3.41Å; F291-L295 PolarHBondContact O-N 3.18Å
292L93.8Very high90.5Very high15 Ų1554.3 Ų54.38%0.07929%0.294CS..Hα-helixtrans-71.1-30.8179.8-67.2164.5000112.6F10 I156 L288 S290 K296F10-L292 HydrophobicContact CD1-CD1 3.99Å; F10-L292 HydrophobicContact CD1-CD2 4.16Å; F10-L292 HydrophobicContact CD2-CD2 4.32Å; F10-L292 HydrophobicContact CE1-CD1 3.4Å; F10-L292 HydrophobicContact CE1-CD2 4.38Å; F10-L292 HydrophobicContact CE2-CD1 4.09Å; F10-L292 HydrophobicContact CG-CD2 4.14Å; F10-L292 HydrophobicContact CZ-CD1 3.46Å; F10-L292 VanDerWaalsContact CZ-CD1 3.46Å; I156-L292 HydrophobicContact CD1-CD2 4.09Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CD1 3.21Å; L288-L292 WeakPolarHBondContact O-CG 3.26Å; L288-L292 PolarHBondContact O-N 2.93Å; S290-L292 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 2.93Å; L292-K296 WeakPolarHBondContact O-CB 3.44Å; L292-K296 WeakPolarHBondContact O-CD 3.44Å; L292-K296 WeakPolarHBondContact O-CG 3.42Å; L292-K296 PolarHBondContact O-N 3.13Å
293S93.6Very high91.1Very high77 Ų7752.5 Ų52.554%0.53828%0.284SS..Hα-helixtrans-66.2-48.2172.3-168.40000111.1K289 S290 L295 K296 S297K289-S293 WeakPolarHBondContact O-CB 3.37Å; K289-S293 PolarHBondContact O-N 3.27Å; K289-S293 VanDerWaalsContact O-N 3.14Å; S290-S293 WeakPolarHBondContact O-CB 3.12Å; S290-S293 PolarHBondContact O-N 3.36Å; S290-S293 VanDerWaalsContact O-N 3.17Å; S293-L295 PolarHBondContact O-N 2.88Å; S293-K296 PolarHBondContact O-N 3.37Å; S293-S297 WeakPolarHBondContact O-CB 3.3Å; S293-S297 PolarHBondContact O-N 3.15Å; S293-S297 PolarHBondContact O-OG 3.04Å
294D95Very high91.4Very high36 Ų3649.7 Ų49.719%0.19328%0.277CS..Hα-helixtrans-60.8-45.8174.9-73.7-50.8000111.3L114 W118 S290 F291 K296 S297 K298L114-D294 HydrophobicContact CD2-CB 4.34Å; W118-D294 PolarHBondContact NE1-OD2 2.96Å; S290-D294 PolarHBondContact O-N 3.09Å; F291-D294 PolarHBondContact O-N 3.49Å; D294-K296 PolarHBondContact O-N 3.02Å; D294-S297 PolarHBondContact O-N 3.42Å; D294-S297 PolarHBondContact O-OG 3.27Å; D294-K298 WeakPolarHBondContact O-CG 3.36Å; D294-K298 PolarHBondContact O-N 3.15Å
295L92.9Very high91.6Very high1 Ų150 Ų501%0.00527%0.271CS..Hα-helixtrans-59.2-47.8177.3-17862.5000112.2F110 L114 L154 F291 S293 S297 K298 L299 I309F110-L295 HydrophobicContact CD2-CD1 3.73Å; F110-L295 HydrophobicContact CE2-CD1 3.82Å; F110-L295 HydrophobicContact CE2-CD2 4.28Å; F110-L295 HydrophobicContact CG-CD1 4.26Å; F110-L295 HydrophobicContact CZ-CD1 4.41Å; L114-L295 HydrophobicContact CD1-CD1 4.44Å; L114-L295 HydrophobicContact CD2-CB 4.39Å; L114-L295 HydrophobicContact CD2-CD1 4.39Å; L154-L295 HydrophobicContact CD1-CD2 3.61Å; F291-L295 HydrophobicContact CE1-CB 4.46Å; F291-L295 HydrophobicContact CE1-CD2 4.11Å; F291-L295 WeakPolarHBondContact O-CB 3.41Å; F291-L295 PolarHBondContact O-N 3.18Å; S293-L295 PolarHBondContact O-N 2.88Å; L295-S297 VanDerWaalsContact C-N 3.35Å; L295-S297 PolarHBondContact O-N 3.11Å; L295-K298 PolarHBondContact O-N 3.49Å; L295-L299 HydrophobicContact CD1-CB 4.49Å; L295-L299 HydrophobicContact CD1-CD1 3.94Å; L295-L299 PolarHBondContact O-N 3.46Å; L295-I309 HydrophobicContact CD2-CD1 4.13Å; L295-I309 HydrophobicContact CG-CD1 4.32Å
296K91.8Very high91.6Very high85 Ų8548 Ų4837%0.3727%0.271SS..Hα-helixtrans-62.7-39.5178.4-74.9169.9179.9177.30112.1L292 S293 D294 I309L292-K296 WeakPolarHBondContact O-CB 3.44Å; L292-K296 WeakPolarHBondContact O-CD 3.44Å; L292-K296 WeakPolarHBondContact O-CG 3.42Å; L292-K296 PolarHBondContact O-N 3.13Å; S293-K296 PolarHBondContact O-N 3.37Å; D294-K296 PolarHBondContact O-N 3.02Å; K296-I309 HydrophobicContact CG-CD1 3.96Å
297S91.4Very high91.4Very high74 Ų7445 Ų4552%0.51725%0.251SS..Hα-helixtrans-74.3-29.6179.471.50000114.1S293 D294 L295S293-S297 WeakPolarHBondContact O-CB 3.3Å; S293-S297 PolarHBondContact O-N 3.15Å; S293-S297 PolarHBondContact O-OG 3.04Å; D294-S297 PolarHBondContact O-N 3.42Å; D294-S297 PolarHBondContact O-OG 3.27Å; L295-S297 VanDerWaalsContact C-N 3.35Å; L295-S297 PolarHBondContact O-N 3.11Å
298K90.2Very high91.1Very high98 Ų9852.6 Ų52.643%0.42628%0.284SS..Hα-helixtrans-89.2-21.6177.8-59.5-52.4176.7-1630114R113 D294 L295R113-K298 HydrophobicContact CB-CB 4.44Å; D294-K298 WeakPolarHBondContact O-CG 3.36Å; D294-K298 PolarHBondContact O-N 3.15Å; L295-K298 PolarHBondContact O-N 3.49Å
299L86.1Confident90.8Very high0 Ų053.1 Ų53.10%029%0.286CS..  trans-136.962.8-177.8-84.2144.8000112.1F110 R113 L295 H301 I307F110-L299 HydrophobicContact CB-CD1 4.34Å; F110-L299 HydrophobicContact CD1-CD1 3.42Å; F110-L299 VanDerWaalsContact CD1-CD1 3.42Å; F110-L299 HydrophobicContact CD1-CD2 4.25Å; F110-L299 HydrophobicContact CD1-CG 4.44Å; F110-L299 HydrophobicContact CE1-CD1 3.77Å; F110-L299 HydrophobicContact CE1-CD2 4.07Å; F110-L299 HydrophobicContact CE1-CG 4.43Å; F110-L299 HydrophobicContact CG-CD1 3.89Å; R113-L299 HydrophobicContact CB-CD1 4.35Å; L295-L299 HydrophobicContact CD1-CB 4.49Å; L295-L299 HydrophobicContact CD1-CD1 3.94Å; L295-L299 PolarHBondContact O-N 3.46Å; L299-H301 PolarHBondContact O-N 2.97Å; L299-I307 VanDerWaalsContact O-CD1 3.25Å; L299-I307 WeakPolarHBondContact O-CD1 3.17Å
300P87.6Confident90.5Very high55 Ų5548.4 Ų48.436%0.35727%0.27SS..SBendtrans-68.3-19.4172.127.5-34.2000113.4I307P300-I307 PolarHBondContact O-N 3.09Å
301H90.4Very high89.6Confident75 Ų7551.5 Ų51.535%0.34729%0.292SS..EExtended strand (participates in β ladder)trans-132.1144.1-178-46.8108.8000111.8L299 F305L299-H301 PolarHBondContact O-N 2.97Å; H301-F305 CarbonylContact C-O 3.6Å; H301-F305 WeakPolarHBondContact CA-O 3.41Å; H301-F305 WeakPolarHBondContact CB-O 3.1Å
302I90.9Very high88.9Confident0 Ų059.5 Ų59.50%033%0.326CS..EExtended strand (participates in β ladder)trans-107119.3163.1-76.1174.5000107.6I12 P15 L55 L106 G304 F305 I307I12-I302 HydrophobicContact CG2-CD1 4.48Å; P15-I302 HydrophobicContact CG-CG2 3.98Å; L55-I302 HydrophobicContact CD1-CG2 4.09Å; L106-I302 HydrophobicContact CD2-CD1 3.75Å; L106-I302 HydrophobicContact CD2-CG1 4.13Å; I302-G304 PolarHBondContact O-N 2.85Å; I302-G304 VanDerWaalsContact O-N 3.16Å; I302-F305 PolarHBondContact N-O 3.17Å; I302-F305 WeakPolarHBondContact O-CB 3.4Å; I302-F305 PolarHBondContact O-N 2.85Å; I302-I307 HydrophobicContact CB-CG2 3.82Å; I302-I307 HydrophobicContact CD1-CG2 3.78Å; I302-I307 HydrophobicContact CG1-CG2 3.7Å
303C91.7Very high88.3Confident3 Ų360.9 Ų60.92%0.0234%0.336CS..THydrogen-bonded Turntrans53.533178.1-59.10000114.9L20 D53 F305L20-C303 HydrophobicContact CD2-CB 3.56Å; D53-C303 CarbonylContact O-C 3.55Å; D53-C303 VanDerWaalsContact O-CA 3.26Å; D53-C303 WeakPolarHBondContact O-CA 3.48Å; C303-F305 VanDerWaalsContact C-N 3.34Å; C303-F305 HydrophobicContact CB-CD2 4.44Å; C303-F305 WeakPolarHBondContact O-CD2 3.4Å
304G89.9Confident87.6Confident36 Ų3659.2 Ų59.237%0.37132%0.324SS..THydrogen-bonded Turntrans84.8-4.4-17500000115.4D53 I302D53-G304 WeakPolarHBondContact OD1-CA 3.33Å; I302-G304 PolarHBondContact O-N 2.85Å; I302-G304 VanDerWaalsContact O-N 3.16Å
305F90.7Very high86.6Confident63 Ų6361.9 Ų61.928%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-96.6134.7175.2-60.5-85.6000111.1P15 K19 L20 A71 H301 I302 C303P15-F305 HydrophobicContact CB-CB 3.76Å; P15-F305 HydrophobicContact CB-CD1 4.32Å; P15-F305 HydrophobicContact CB-CD2 3.7Å; P15-F305 HydrophobicContact CB-CE2 4.39Å; P15-F305 HydrophobicContact CB-CG 3.66Å; P15-F305 HydrophobicContact CG-CB 4.15Å; P15-F305 HydrophobicContact CG-CD2 4.07Å; P15-F305 HydrophobicContact CG-CG 4.31Å; K19-F305 HydrophobicContact CB-CZ 4.07Å; L20-F305 HydrophobicContact CD2-CD2 4.13Å; L20-F305 HydrophobicContact CD2-CE2 3.71Å; A71-F305 HydrophobicContact CB-CE2 3.82Å; A71-F305 HydrophobicContact CB-CZ 4.35Å; H301-F305 CarbonylContact C-O 3.6Å; H301-F305 WeakPolarHBondContact CA-O 3.41Å; H301-F305 WeakPolarHBondContact CB-O 3.1Å; I302-F305 PolarHBondContact N-O 3.17Å; I302-F305 WeakPolarHBondContact O-CB 3.4Å; I302-F305 PolarHBondContact O-N 2.85Å; C303-F305 VanDerWaalsContact C-N 3.34Å; C303-F305 HydrophobicContact CB-CD2 4.44Å; C303-F305 WeakPolarHBondContact O-CD2 3.4Å
306P88.1Confident85.1Confident102 Ų10269.7 Ų69.766%0.66236%0.363SS*.EExtended strand (participates in β ladder)trans-67.8142.2178.928.9-35.1000111.9
307I86.2Confident83.2Confident25 Ų2568.4 Ų68.413%0.12836%0.362CS..  trans-111.6143.3-179.663.2165.2000112.8I12 L299 P300 I302 I309I12-I307 HydrophobicContact CD1-CD1 4.4Å; I12-I307 HydrophobicContact CG2-CB 3.68Å; I12-I307 HydrophobicContact CG2-CD1 3.74Å; I12-I307 HydrophobicContact CG2-CG1 4.25Å; I12-I307 HydrophobicContact CG2-CG2 4.04Å; L299-I307 VanDerWaalsContact O-CD1 3.25Å; L299-I307 WeakPolarHBondContact O-CD1 3.17Å; P300-I307 PolarHBondContact O-N 3.09Å; I302-I307 HydrophobicContact CB-CG2 3.82Å; I302-I307 HydrophobicContact CD1-CG2 3.78Å; I302-I307 HydrophobicContact CG1-CG2 3.7Å; I307-I309 HydrophobicContact CD1-CD1 3.95Å; I307-I309 HydrophobicContact CD1-CG1 3.96Å; I307-I309 HydrophobicContact CG1-CG1 4.46Å
308K86.2Confident81Confident166 Ų16672.4 Ų72.472%0.72237%0.373SS*.  trans-106.7120.3167.5-63.2-177.5180-178.10108.3I12 T13I12-K308 WeakPolarHBondContact CA-O 3.4Å; T13-K308 HydrophobicContact CG2-CB 4.04Å; T13-K308 PolarHBondContact N-O 2.85Å; T13-K308 PolarHBondContact OG1-N 3.04Å; T13-K308 PolarHBondContact OG1-O 3.03Å
309I88.2Confident78.9Confident21 Ų2174.9 Ų74.911%0.10839%0.386CS..BIsolated β-bridgetrans-104.6134.3173.5-48-175.1000108.2F10 F11 I12 L295 K296 I307F10-I309 HydrophobicContact CB-CG2 4.38Å; F11-I309 WeakPolarHBondContact O-CA 3.49Å; I12-I309 HydrophobicContact CD1-CD1 4.19Å; I12-I309 HydrophobicContact CD1-CG1 4.28Å; I12-I309 HydrophobicContact CG1-CD1 4.43Å; I12-I309 HydrophobicContact CG1-CG1 4.04Å; I12-I309 HydrophobicContact CG1-CG2 4.33Å; I12-I309 HydrophobicContact CG2-CG1 4.2Å; L295-I309 HydrophobicContact CD2-CD1 4.13Å; L295-I309 HydrophobicContact CG-CD1 4.32Å; K296-I309 HydrophobicContact CG-CD1 3.96Å; I307-I309 HydrophobicContact CD1-CD1 3.95Å; I307-I309 HydrophobicContact CD1-CG1 3.96Å; I307-I309 HydrophobicContact CG1-CG1 4.46Å
310T86Confident77.2Confident48 Ų4876.2 Ų76.229%0.29439%0.393SS..  trans-52.5139.3176.553.60000112.1F10 F11F10-T310 WeakPolarHBondContact CA-OG1 3.34Å; F11-T310 HydrophobicContact CB-CG2 3.98Å; F11-T310 PolarHBondContact N-OG1 3Å; F11-T310 VanDerWaalsContact N-OG1 3.07Å; F11-T310 PolarHBondContact O-N 3.11Å
311S76.5Confident75.1Confident102 Ų10277.2 Ų77.271%0.71340%0.398SS*.SBendtrans-82.9-40.2-177.450.70000112.8
312K79.8Confident72.7Confident167 Ų16780.5 Ų80.573%0.72641%0.411SS*.SBendtrans-92.8145.2174.9-62.1-174.3178.8-175.50110.5
313P81.3Confident70.1Confident44 Ų4485.7 Ų85.729%0.28645%0.445SS..PPolyproline II helixtrans-64.5139.8166.927.2-32.9000110.2F10 Y315F10-P313 HydrophobicContact CE1-CB 4.01Å; F10-P313 HydrophobicContact CE2-CB 4.24Å; F10-P313 HydrophobicContact CZ-CB 3.59Å; F10-P313 HydrophobicContact CZ-CG 4.45Å; P313-Y315 HydrophobicContact CB-CE1 4.16Å; P313-Y315 HydrophobicContact CB-CE2 4.32Å; P313-Y315 HydrophobicContact CG-CE1 4.43Å; P313-Y315 HydrophobicContact CG-CE2 3.97Å; P313-Y315 VanDerWaalsContact CG-OH 3.29Å; P313-Y315 WeakPolarHBondContact CG-OH 3.23Å
314C79.8Confident67.7Low42 Ų4291.5 Ų91.528%0.28448%0.476SS..BIsolated β-bridgetrans-94135.4160.1-62.90000108.4L9 F11L9-C314 WeakPolarHBondContact CA-O 3.3Å; L9-C314 HydrophobicContact CB-CB 4.17Å; L9-C314 VanDerWaalsContact CB-O 3.3Å; L9-C314 WeakPolarHBondContact CB-O 3.4Å; L9-C314 PolarHBondContact N-O 2.9Å; L9-C314 PolarHBondContact O-N 3.29Å; F11-C314 HydrophobicContact CE2-CB 4.13Å
315Y72.9Confident65.4Low93 Ų9396.4 Ų96.437%0.36549%0.492SS..PPolyproline II helixtrans-101.7164.1174.1-61.1-65.8000110.6Q6 S8 P313 T317 L320Q6-Y315 HydrophobicContact CG-CD1 3.8Å; Q6-Y315 HydrophobicContact CG-CE1 3.85Å; S8-Y315 WeakPolarHBondContact OG-CE1 3.45Å; P313-Y315 HydrophobicContact CB-CE1 4.16Å; P313-Y315 HydrophobicContact CB-CE2 4.32Å; P313-Y315 HydrophobicContact CG-CE1 4.43Å; P313-Y315 HydrophobicContact CG-CE2 3.97Å; P313-Y315 VanDerWaalsContact CG-OH 3.29Å; P313-Y315 WeakPolarHBondContact CG-OH 3.23Å; Y315-T317 VanDerWaalsContact C-N 3.33Å; Y315-T317 PolarHBondContact O-N 3.01Å; Y315-L320 WeakPolarHBondContact O-CD1 3.43Å
316Y61.1Low62.9Low164 Ų164100 Ų10064%0.64351%0.51SS*.  trans-7484.8177.8-169.7-93.7000110.6T321Y316-T321 PolarHBondContact OH-OG1 3.14Å
317T51.9Low60.4Low58 Ų58103.1 Ų103.136%0.35652%0.515SS..  trans-92.5154.4169.165.40000110.2Y315 E319 L320Y315-T317 VanDerWaalsContact C-N 3.33Å; Y315-T317 PolarHBondContact O-N 3.01Å; T317-E319 PolarHBondContact O-N 2.88Å; T317-E319 PolarHBondContact OG1-OE2 2.94Å; T317-L320 PolarHBondContact O-N 2.95Å; T317-L320 VanDerWaalsContact O-N 3.13Å
318Q45Very low58Low158 Ų158108.7 Ų108.774%0.73854%0.541SS*.Hα-helixtrans-59.8-17.7175.3-68.1-177-6.600113.2L320 T321 K322Q318-L320 VanDerWaalsContact C-N 3.32Å; Q318-T321 PolarHBondContact O-N 3.37Å; Q318-K322 PolarHBondContact O-N 2.78Å
319E46.7Very low55.8Low150 Ų150109.9 Ų109.970%0.70155%0.546SS*.Hα-helixtrans-66.2-31.9176.8-53.3169.8129.300112.5T317 T321 K322T317-E319 PolarHBondContact O-N 2.88Å; T317-E319 PolarHBondContact OG1-OE2 2.94Å; E319-T321 VanDerWaalsContact C-N 3.31Å; E319-K322 PolarHBondContact O-N 3.3Å
320L50.5Low53.5Low29 Ų29114.5 Ų114.515%0.15258%0.575CS.*Hα-helixtrans-64.9-40.7172.5-66.8176.3000110.3L9 Y315 T317 Q318 K322 K434 V436L9-L320 HydrophobicContact CD1-CD1 4.01Å; Y315-L320 WeakPolarHBondContact O-CD1 3.43Å; T317-L320 PolarHBondContact O-N 2.95Å; T317-L320 VanDerWaalsContact O-N 3.13Å; Q318-L320 VanDerWaalsContact C-N 3.32Å; L320-K322 PolarHBondContact O-N 3.09Å; L320-K434 HydrophobicContact CD2-CD 4.48Å; L320-V436 HydrophobicContact CB-CG2 4.37Å; L320-V436 WeakPolarHBondContact O-CG2 3.05Å
321T44Very low51.3Low75 Ų75121.1 Ų121.146%0.4660%0.599SS.*Hα-helixtrans-70.1-17.1-177.8-38.70000113.4Y316 Q318 E319 P323Y316-T321 PolarHBondContact OH-OG1 3.14Å; Q318-T321 PolarHBondContact O-N 3.37Å; E319-T321 VanDerWaalsContact C-N 3.31Å; T321-P323 WeakPolarHBondContact O-CD 3.01Å
322K39.8Very low49.5Very low144 Ų144121.2 Ų121.263%0.62660%0.598SS**SBendtrans-84.2117175.6-70.7179.5-179.2-178.30109.8Q318 E319 L320 N324Q318-K322 PolarHBondContact O-N 2.78Å; E319-K322 PolarHBondContact O-N 3.3Å; L320-K322 PolarHBondContact O-N 3.09Å; K322-N324 PolarHBondContact O-N 2.93Å
323P36.5Very low47.4Very low109 Ų109118.3 Ų118.371%0.70860%0.596SS**  trans-59.9134.4164.727.5-33000108.2T321 I325T321-P323 WeakPolarHBondContact O-CD 3.01Å; P323-I325 VanDerWaalsContact C-N 3.27Å; P323-I325 PolarHBondContact O-N 2.85Å
324N40.3Very low45.3Very low126 Ų126122.8 Ų122.867%0.67462%0.618SS**  trans-72.884.4179.4-173.531.4000109.9K322 Q326K322-N324 PolarHBondContact O-N 2.93Å; N324-Q326 PolarHBondContact O-N 3.28Å
325I41.5Very low43.7Very low139 Ų139128.6 Ų128.671%0.71365%0.645SS**  trans-63.7105.2166.8-59.2175.3000106.2P323 E327P323-I325 VanDerWaalsContact C-N 3.27Å; P323-I325 PolarHBondContact O-N 2.85Å; I325-E327 PolarHBondContact O-N 3.31Å
326Q39.7Very low42.3Very low138 Ų138130 Ų13065%0.64566%0.664SS**  trans-64.2106.5166.5-76.5179.6-43.500107.9N324 H328N324-Q326 PolarHBondContact O-N 3.28Å; Q326-H328 PolarHBondContact O-N 2.76Å
327E34.8Very low41.2Very low167 Ų167128.2 Ų128.278%0.7867%0.67SS**  trans-66.471.8157.2-71.5-167.1164.300109.2I325 K329I325-E327 PolarHBondContact O-N 3.31Å; E327-K329 PolarHBondContact O-N 2.67Å
328H35.3Very low40.9Very low142 Ų142135.3 Ų135.366%0.65770%0.696SS**  trans-57.4108.4154.1-95.8-83000106.5Q326 V330Q326-H328 PolarHBondContact O-N 2.76Å; H328-V330 HydrophobicContact CB-CG2 4.19Å; H328-V330 PolarHBondContact O-N 3.35Å
329K40.3Very low40.4Very low191 Ų191136.6 Ų136.683%0.8370%0.699SS**  trans-69.861.8175.3-70.8-171.8175-177.10111.3E327 K331E327-K329 PolarHBondContact O-N 2.67Å; K329-K331 PolarHBondContact O-N 3.26Å
330V39.5Very low40Very low119 Ų119137.6 Ų137.672%0.72171%0.705SS**  trans-68.4114.6164.7-173.30000106.2H328H328-V330 HydrophobicContact CB-CG2 4.19Å; H328-V330 PolarHBondContact O-N 3.35Å
331K41Very low39.1Very low186 Ų186146.1 Ų146.181%0.80974%0.742SS**  trans-57136.5170.7-70.8-179.4176179.70108.4K329K329-K331 PolarHBondContact O-N 3.26Å
332P37.3Very low38.5Very low105 Ų105153.6 Ų153.668%0.68276%0.762SS**  trans-58.5136.7174.125.7-33.8000109.5N334P332-N334 PolarHBondContact O-N 2.95Å
333P36.1Very low37.9Very low106 Ų106151.6 Ų151.669%0.68877%0.772SS**  trans-70.8115.6179.227.4-32.9000110.2L335P333-L335 PolarHBondContact O-N 2.89Å
334N38.3Very low37.6Very low138 Ų138151.7 Ų151.774%0.73878%0.775SS**  trans-68.897.8174.4-76.6-17.9000110.4P332 T336P332-N334 PolarHBondContact O-N 2.95Å; N334-T336 PolarHBondContact O-N 3.08Å
335L44.7Very low37.2Very low163 Ų163153.4 Ų153.485%0.85378%0.783SS**  trans-79.558.6179-68.6176.5000112.6P333P333-L335 PolarHBondContact O-N 2.89Å
336T44.6Very low36.7Very low124 Ų124152.2 Ų152.276%0.76178%0.783SS**  trans-134.853179.256.70000113.2N334N334-T336 PolarHBondContact O-N 3.08Å
337T38.1Very low36.3Very low126 Ų126153.9 Ų153.977%0.77379%0.79SS**  trans-132.999.9166.4-46.50000110.8K339T337-K339 PolarHBondContact O-N 3.08Å
338K46.1Very low36Very low206 Ų206150 Ų15090%0.89679%0.787SS**  trans-83107.4179.5-170.4179.8-175.6-178.90109.8
339K34.3Very low35.6Very low186 Ų186149.5 Ų149.581%0.80979%0.794SS**  trans-124.2132.2164.4-81.3-166.3172.9-174.70110.4T337T337-K339 PolarHBondContact O-N 3.08Å
340M37.2Very low35.1Very low170 Ų170144.6 Ų144.684%0.83778%0.784SS**  trans-82.4139-178.9-62.6163.567.800110.2
341F31.4Very low34.5Very low208 Ų208146.7 Ų146.791%0.91279%0.789SS**  trans-133.5158.9151.7-88.5-73.3000110.6
342R31.4Very low34Very low233 Ų233146.1 Ų146.188%0.87979%0.787SS**  trans-91.6124.7-151.9-165.6-177.4-161.1163.93111.1
343A28.2Very low34.2Very low102 Ų102146.9 Ų146.984%0.84379%0.792SS**  trans-94137.5168.900000110.3
344S30.3Very low33.8Very low111 Ų111146.1 Ų146.178%0.77679%0.794SS**  trans-119.5132.1169.6-64.80000109.2
345L30.5Very low33.3Very low161 Ų161145.2 Ų145.284%0.84380%0.797SS**  trans-72.3145175.4-154.467.4000108.9
346T30.8Very low32.4Very low114 Ų114141.3 Ų141.370%0.69979%0.789SS**  175.4161.180.937.20000108.1
347Q33.1Very low31.7Very low173 Ų173143.7 Ų143.781%0.80879%0.791SS**  cis-154.5146.9-2.8-134.5174.25.700106.6
348A27.3Very low31.1Very low87 Ų87142.3 Ų142.372%0.71979%0.787SS**  131.9147.196.100000107.6
349T26.5Very low30.2Very low131 Ų131140.4 Ų140.480%0.80479%0.785SS**  cis-149.6145.6-19-77.10000107.1
350S29.6Very low30.1Very low87 Ų87139.3 Ų139.361%0.60879%0.787SS**  trans-117.7142-179.169.10000113.4
351I27.9Very low30.1Very low163 Ų163136.3 Ų136.384%0.83678%0.781SS**  trans-132.7101.5154.6-57.5180000105
352K31.1Very low29.7Very low175 Ų175132.2 Ų132.276%0.76178%0.777SS**  63.5152.161.9-82.9-167.7172.3-177.10114.2
353P41.7Very low29.6Very low121 Ų121126.5 Ų126.579%0.78677%0.772SS**  cis-125.8-155.6-21.537.1-16.3000109.4
354A26.6Very low29.5Very low89 Ų89128.4 Ų128.474%0.73677%0.773SS**  cis-153.1-1782.500000112.1
355C27.7Very low29.3Very low119 Ų119127.2 Ų127.280%0.80477%0.77SS**  trans-23.7144.8168.2-63.70000118.3
356A26.3Very low29.3Very low81 Ų81125.5 Ų125.567%0.66977%0.766SS**  71147.553.300000113
357Q29.8Very low29.2Very low174 Ų174126.1 Ų126.181%0.81377%0.765SS**  cis-161.2154.423.5-151.7164.761.500113.9
358S25.8Very low29.1Very low98 Ų98126.4 Ų126.469%0.68577%0.766SS**  trans67.3163.9148.264.30000123.9
359L27.5Very low29.3Very low165 Ų165130.7 Ų130.786%0.86477%0.769SS**  trans82.2102.9164-53.2-176.1000120.4
360L30.9Very low29.3Very low163 Ų163130.1 Ų130.185%0.85377%0.765SS**  trans-91.3169.2148.3-82.4160.9000108.2
361P37.1Very low29.1Very low107 Ų107132.7 Ų132.770%0.69577%0.767SS**  cis-145.5-166.725.643.9-23.4000117.1
362C24.7Very low29Very low123 Ų123131.9 Ų131.983%0.83176%0.763SS**  trans85.5115.3151.7-73.50000121.8
363S28.7Very low28.8Very low112 Ų112127.8 Ų127.878%0.78376%0.757SS**  trans-53.5149.3159.3128.60000114.8
364V25.6Very low27.9Very low143 Ų143128.3 Ų128.387%0.86776%0.757SS**  -155.3161.1119.9139.30000108.5
365A26.9Very low27.9Very low86 Ų86128.2 Ų128.271%0.71175%0.751SS**  trans-107.5174.4-174.100000113.3
366V30.5Very low28Very low124 Ų124131.1 Ų131.175%0.75275%0.753SS**  trans156.4131.5136.21590000110.6
367D28.6Very low28.7Very low127 Ų127132.5 Ų132.568%0.67976%0.755SS**  trans33.8146.7153.5-54.7-7.9000121.4
368H31Very low28.5Very low179 Ų179130.2 Ų130.283%0.82975%0.753SS**  cis-151.616146.4-80.4-83.1000116.9
369K30.3Very low28.5Very low178 Ų178130 Ų13077%0.77476%0.758SS**  trans-60.7167.8-179.9-169.6-160.8173-168.70116.9
370V27.6Very low28.3Very low119 Ų119125.5 Ų125.572%0.72175%0.751SS**  trans91.2144.8159-173.10000116.3
371E25.1Very low28.2Very low140 Ų140126 Ų12665%0.65475%0.752SS**  cis-171.5161.2-46.6-147.1-178.9133.300108.7
372L25.6Very low27.6Very low146 Ų146130.2 Ų130.276%0.76476%0.76SS**  trans63.9158.9163.8-57.7173.2000118.1
373S26.3Very low27.7Very low89 Ų89130.5 Ų130.562%0.62276%0.764SS**  cis-171.7171.3-37.661.70000109.2
374V24Very low27.5Very low132 Ų132129.5 Ų129.580%0.876%0.762SS**  trans70.5137.4160.2171.30000116.7
375S26.2Very low27.6Very low87 Ų87130.8 Ų130.861%0.60876%0.764SS**  cis-169.6177.4-2266.30000112.2
376Q29.3Very low27.5Very low181 Ų181133.7 Ų133.785%0.84676%0.762SS**  trans79.6158.2152.3-76.8-167.7-2.700120.8
377P41.4Very low27.3Very low109 Ų109135.1 Ų135.171%0.70877%0.765SS**  trans-135.5-159.8-156.341.9-21.1000114
378T26.1Very low27.1Very low126 Ų126136.7 Ų136.777%0.77377%0.768SS**  trans132.3145.3138.6-50.30000114.1
379A25.2Very low27.4Very low95 Ų95133 Ų13379%0.78576%0.759SS**  trans65.4142.7173.500000117
380G23.7Very low27.1Very low69 Ų69132.3 Ų132.371%0.71176%0.759SS**  cis109.4125.6-9.400000114.8
381I27.4Very low27Very low173 Ų173132.1 Ų132.189%0.88776%0.763SS**  trans-157.9157166.4-107.8155.7000110
382F25.7Very low27.1Very low197 Ų197131.4 Ų131.486%0.86477%0.768SS**  trans-93.1162.1-174.2-62.5-107.2000112.8
383S25.7Very low27.2Very low128 Ų128133 Ų13390%0.89577%0.772SS**  -158.6152.4124.5-84.40000110.9
384A25.8Very low27.1Very low92 Ų92134 Ų13476%0.7678%0.778SS**  trans-139.6164.7178.200000109.6
385L26.2Very low27.2Very low170 Ų170137.9 Ų137.989%0.8978%0.779SS**  trans160.7156.7153.1-86.2156.5000107.1
386H25.3Very low27.3Very low146 Ų146142.4 Ų142.468%0.67679%0.787SS**  cis167.4112.7-38.7162.2-97.3000106.7
387L27.2Very low27.1Very low155 Ų155142.6 Ų142.681%0.81279%0.786SS**  trans176.6139.8141.8-97.8156.1000113.4
388Q24Very low26.3Very low160 Ų160142.5 Ų142.575%0.74879%0.787SS**  trans-95-175.2162.3-81.6-79.8-0.800107.7
389P37.8Very low26.3Very low100 Ų100144.1 Ų144.165%0.64979%0.79SS**  cis-141.8164.314.942.9-23.2000119.6
390E24Very low26.3Very low165 Ų165144.1 Ų144.177%0.77179%0.785SS**  trans31.8129.2134-55.2176.4108.200123.5
391S24.5Very low26.5Very low114 Ų114149.3 Ų149.380%0.79779%0.794SS**  166.8125.2125.842.30000108.8
392V26.6Very low26.5Very low125 Ų125152.4 Ų152.476%0.75880%0.795SS**  74103.658.6-179.40000113.6
393Q28.1Very low26.6Very low181 Ų181147.2 Ų147.285%0.84679%0.788SS**  trans34.4127.7155.3-61.3178.4-18.800118.8
394S25Very low26.8Very low109 Ų109147.2 Ų147.276%0.76279%0.785SS**  175.316579.555.70000115.8
395R25.1Very low26.8Very low213 Ų213152 Ų15280%0.80479%0.792SS**  trans71.5137.7142.8-108.8178.8173.3178.8-0.6122.7
396K28.4Very low26.8Very low182 Ų182151 Ų15179%0.79179%0.792SS**  trans68.5153.6159.2-61.9172.8-179.6178.30115.7
397K26.3Very low26.5Very low186 Ų186155 Ų15581%0.80980%0.801SS**  cis155.3140.8-26.8-115.8-165.2174.4-172.10104.8
398S24.7Very low26.4Very low107 Ų107152.7 Ų152.775%0.74880%0.798SS**  trans62.3154.4162.345.30000117.6
399L25.9Very low26.3Very low159 Ų159153.4 Ų153.483%0.83280%0.802SS**  cis-144.6175.4-7.4-147.869.3000110.9
400S25.9Very low25.7Very low96 Ų96154.8 Ų154.867%0.67181%0.808SS**  trans-67.5159.4169.655.50000114.7
401I27.4Very low25.6Very low177 Ų177155 Ų15591%0.90881%0.814SS**  trans-136.7159.7146-101.4158.2000109.7
402R26.3Very low25.7Very low239 Ų239157.4 Ų157.490%0.90281%0.814SS**  trans-117.2154.1-165.4-168.8177.4-174.2170.50.5111.1
403A28.1Very low25.8Very low87 Ų87157.3 Ų157.372%0.71982%0.816SS**  trans-75.6161.5178.600000113.9
404P30.1Very low25.7Very low128 Ų128156 Ų15683%0.83182%0.815SS**  trans-101.3167.9149.7-1.722.7000112.6
405Q26.3Very low25.7Very low193 Ų193161.1 Ų161.190%0.90282%0.817SS**  trans-111.6159.4177.8-59.4169-57.400111.1
406V25.3Very low25.7Very low148 Ų148154.6 Ų154.690%0.89782%0.817SS**  trans-134.9149.9155-178.40000108.9
407R20.3Very low25.6Very low230 Ų230153 Ų15387%0.86882%0.817SS**  trans-117.8158.4-177.8-111.6-177.2174.1-176.4-2.3110.2
408S23.3Very low25.6Very low107 Ų107149.2 Ų149.275%0.74882%0.82SS**  trans147.7154.7145.4-82.60000110.9
409E23.6Very low25.8Very low176 Ų176153 Ų15382%0.82283%0.826SS**  cis-157.4175.7-34.2-162.7138.4-123.900107.9
410V24.3Very low25.8Very low128 Ų128150.4 Ų150.478%0.77682%0.817SS**  trans-104.2137.1-173.6175.80000111.8
411L22.3Very low25.9Very low171 Ų171154.4 Ų154.490%0.89583%0.825SS**  trans-133.9140.1166.7-99.3166.7000111.5
412M26.3Very low25.8Very low163 Ų163154 Ų15480%0.80382%0.819SS**  trans-112.3144.2177.3-73.1-87.6-68.400109.9
413P29.8Very low25.9Very low123 Ų123148.9 Ų148.980%0.79981%0.814SS**  trans-100.8152155.635.3-28.5000111.1
414N24.5Very low25.8Very low155 Ų155151.6 Ų151.683%0.82982%0.817SS**  trans-134136.9-178.2-164.66.8000111.7
415R26.5Very low25.6Very low215 Ų215153.8 Ų153.881%0.81182%0.821SS**  trans39.5112.8160.1-163.1-179.9-131.4-152.43.4119.8
416G23.1Very low25.6Very low77 Ų77149.6 Ų149.679%0.79481%0.813SS**  trans-145.2133.1154.400000109.9
417N26.6Very low25.7Very low147 Ų147147.9 Ų147.979%0.78681%0.807SS**  trans-99.5135.9-172.3-67.5-7.8000112.1
418A27.8Very low26Very low107 Ų107146.1 Ų146.188%0.88481%0.809SS**  trans-139.8150.6155.500000108.5
419Q28.2Very low26.2Very low186 Ų186145.6 Ų145.687%0.86981%0.805SS**  trans-118.1170.9-166.2-170.3-178.70.900111.1
420V26.9Very low26.3Very low106 Ų106145 Ų14564%0.64281%0.807SS**  trans107.5120.6154.2-173.60000117.1
421Q27.1Very low26.8Very low179 Ų179145 Ų14584%0.83680%0.802SS**  trans66.8115.9157-73.3158.412.700121.6
422H25.4Very low27.2Very low168 Ų168140.9 Ų140.978%0.77878%0.784SS**  trans-70.5146.2150.4-79.2-112.8000110.8
423T27.2Very low27.6Very low132 Ų132138.3 Ų138.381%0.8178%0.78SS**  trans-136.4124.5143.8-41.80000109
424N26.6Very low28.1Very low145 Ų145139.5 Ų139.578%0.77577%0.772SS**  trans-80.1131.9172.5-71.7-58.9000109.8
425L25.7Very low29.3Very low174 Ų174139.2 Ų139.291%0.91176%0.764SS**  trans-146.3122158.2-110.9162.1000108.7
426S26.3Very low30.3Very low105 Ų105131 Ų13173%0.73474%0.737SS**  trans-117.4-179.8-169.665.80000111.4
427S27.7Very low31.1Very low112 Ų112128 Ų12878%0.78370%0.704SS**  trans65.292.9173.869.80000117.1
428Q27.4Very low31.9Very low193 Ų193126.3 Ų126.390%0.90270%0.699SS**  trans-114.1148.6136.5-74.4-166.2-6.800109.2
429S27.1Very low32.9Very low96 Ų96123.4 Ų123.467%0.67167%0.666SS**  trans-85.8123.5-163.3460000112.9I431S429-I431 PolarHBondContact O-N 3.36Å
430N25.3Very low33.4Very low162 Ų162123.7 Ų123.787%0.86667%0.665SS**  trans-73.770.3173.3-79.4-56.6000111.8T432N430-T432 PolarHBondContact O-N 2.81Å
431I34.3Very low33.4Very low129 Ų129124.2 Ų124.266%0.66266%0.664SS**  trans-73.692.9172.4-57.1179.4000108.4S429S429-I431 PolarHBondContact O-N 3.36Å
432T32.4Very low33.5Very low84 Ų84122.3 Ų122.352%0.51567%0.665SS.*  trans-74.2136.1171.826.80000110.5N430 K434N430-T432 PolarHBondContact O-N 2.81Å; T432-K434 PolarHBondContact O-N 3.49Å
433P33.8Very low33.5Very low110 Ų110121.9 Ų121.971%0.71467%0.667SS**  trans-68.2125.7-178.326.7-33.8000111.1F435P433-F435 PolarHBondContact O-N 3.35Å; P433-F435 VanDerWaalsContact O-N 3.14Å
434K41.2Very low33.5Very low148 Ų148122 Ų12264%0.64367%0.667SS**  trans-77.495175.2-66.4177.3-176.4171.40109.7L320 T432L320-K434 HydrophobicContact CD2-CD 4.48Å; T432-K434 PolarHBondContact O-N 3.49Å
435F49.2Very low33.5Very low148 Ų148123.3 Ų123.365%0.64967%0.674SS**  trans-70.5142.3172.4-174.2-95.2000111.2T148 P433 P437T148-F435 HydrophobicContact CG2-CD1 4.22Å; P433-F435 PolarHBondContact O-N 3.35Å; P433-F435 VanDerWaalsContact O-N 3.14Å; F435-P437 VanDerWaalsContact O-CD 3.26Å; F435-P437 WeakPolarHBondContact O-CD 3.3Å
436V46.2Very low33.4Very low42 Ų42117.6 Ų117.626%0.25566%0.656SS.*  trans-82.4115178.3-175.50000110.8L320 V438L320-V436 HydrophobicContact CB-CG2 4.37Å; L320-V436 WeakPolarHBondContact O-CG2 3.05Å; V436-V438 PolarHBondContact O-N 3.2Å; V436-V438 VanDerWaalsContact O-N 3.09Å
437P40.1Very low33.3Very low16 Ų16117.9 Ų117.910%0.10466%0.659CS.*  trans-69.7107.3171.928.8-33.6000110.3N146 C153 F435 F439N146-P437 HydrophobicContact CB-CB 4Å; N146-P437 VanDerWaalsContact ND2-CB 3.27Å; N146-P437 WeakPolarHBondContact ND2-CB 3.43Å; C153-P437 HydrophobicContact CB-CB 4.28Å; C153-P437 HydrophobicContact CB-CG 4Å; F435-P437 VanDerWaalsContact O-CD 3.26Å; F435-P437 WeakPolarHBondContact O-CD 3.3Å; P437-F439 HydrophobicContact CB-CD2 4.38Å; P437-F439 HydrophobicContact CB-CE2 3.83Å; P437-F439 HydrophobicContact CB-CZ 3.97Å; P437-F439 HydrophobicContact CG-CD2 4.35Å; P437-F439 HydrophobicContact CG-CE2 3.59Å; P437-F439 HydrophobicContact CG-CZ 4.02Å; P437-F439 VanDerWaalsContact O-CD2 3.31Å; P437-F439 WeakPolarHBondContact O-CD2 3.43Å; P437-F439 PolarHBondContact O-N 2.82Å
438V44.8Very low33.4Very low110 Ų110118.4 Ų118.467%0.66766%0.659SS**  trans-71.890.6172.3-177.80000109.5V436 K440V436-V438 PolarHBondContact O-N 3.2Å; V436-V438 VanDerWaalsContact O-N 3.09Å; V438-K440 PolarHBondContact O-N 2.73Å; V438-K440 VanDerWaalsContact O-N 3.12Å
439F49.1Very low33.4Very low47 Ų47119.5 Ų119.521%0.20666%0.661CS.*  trans-69.3104.5168-63.4-75.2000108.9L9 N144 N146 S155 P437 N441L9-F439 HydrophobicContact CD2-CE2 3.93Å; N144-F439 HydrophobicContact CB-CD1 3.91Å; N144-F439 HydrophobicContact CB-CE1 3.86Å; N146-F439 HydrophobicContact CB-CE1 3.9Å; N146-F439 HydrophobicContact CB-CZ 4.27Å; S155-F439 VanDerWaalsContact CB-CZ 3.41Å; P437-F439 HydrophobicContact CB-CD2 4.38Å; P437-F439 HydrophobicContact CB-CE2 3.83Å; P437-F439 HydrophobicContact CB-CZ 3.97Å; P437-F439 HydrophobicContact CG-CD2 4.35Å; P437-F439 HydrophobicContact CG-CE2 3.59Å; P437-F439 HydrophobicContact CG-CZ 4.02Å; P437-F439 VanDerWaalsContact O-CD2 3.31Å; P437-F439 WeakPolarHBondContact O-CD2 3.43Å; P437-F439 PolarHBondContact O-N 2.82Å; F439-N441 VanDerWaalsContact C-N 3.34Å; F439-N441 PolarHBondContact O-N 3.03Å
440K37.1Very low33.3Very low191 Ų191126.5 Ų126.583%0.8367%0.673SS**  trans-66.694.8168.9-73.7-170.1176.5-175.10108.7V438 T442V438-K440 PolarHBondContact O-N 2.73Å; V438-K440 VanDerWaalsContact O-N 3.12Å; K440-T442 PolarHBondContact O-N 2.68Å
441N28.4Very low33.4Very low117 Ų117128.2 Ų128.263%0.62667%0.673SS**  trans-58.2108.9171-77.8-18000109F439 L443F439-N441 VanDerWaalsContact C-N 3.34Å; F439-N441 PolarHBondContact O-N 3.03Å; N441-L443 VanDerWaalsContact C-N 3.3Å; N441-L443 PolarHBondContact O-N 3.38Å
442T27.4Very low33Very low139 Ų139131 Ų13185%0.85368%0.683SS**  trans-66.592.6170.6-51.70000108.1K440 V444K440-T442 PolarHBondContact O-N 2.68Å; T442-V444 PolarHBondContact O-N 3.09Å
443L25.8Very low32.6Very low159 Ų159136.2 Ų136.283%0.83270%0.701SS**  trans-54.5136.3178.7-82.6167.3000110.2N441 L445N441-L443 VanDerWaalsContact C-N 3.3Å; N441-L443 PolarHBondContact O-N 3.38Å; L443-L445 PolarHBondContact O-N 3.07Å
444V27.1Very low32.1Very low134 Ų134137 Ų13781%0.81270%0.703SS**  trans-59.6122.9-179.4178.20000108.8T442 G446T442-V444 PolarHBondContact O-N 3.09Å; V444-G446 PolarHBondContact O-N 2.91Å
445L26.8Very low31.3Very low174 Ų174136 Ų13691%0.91171%0.71SS**  trans-70.478.8167.2-174.766.1000108.6L443 S447L443-L445 PolarHBondContact O-N 3.07Å; L445-S447 PolarHBondContact O-N 2.77Å
446G23.5Very low30.1Very low53 Ų53135.2 Ų135.255%0.54672%0.717SS.*PPolyproline II helixtrans-65.7128.6178.900000110.5V444V444-G446 PolarHBondContact O-N 2.91Å
447S25.6Very low29.1Very low112 Ų112141.7 Ų141.778%0.78374%0.744SS**PPolyproline II helixtrans-63.8129.8171.241.30000110L445 K449L445-S447 PolarHBondContact O-N 2.77Å; S447-K449 PolarHBondContact O-N 3.37Å
448P28.6Very low28.5Very low123 Ų123146.8 Ų146.880%0.79978%0.78SS**PPolyproline II helixtrans-69119.8178.327-33.1000109.9R450P448-R450 PolarHBondContact O-N 2.91Å
449K27.5Very low27.6Very low215 Ų215150.1 Ų150.194%0.93579%0.786SS**PPolyproline II helixtrans-62.3125.6166-65.3179.7179.1-179.40108.3S447S447-K449 PolarHBondContact O-N 3.37Å
450R25.6Very low26.4Very low243 Ų243154.6 Ų154.692%0.91781%0.811SS**  trans-123.5121.7170.5-154.6171.7-173.4167.92.2109.9P448P448-R450 PolarHBondContact O-N 2.91Å
451K26.3Very low25.9Very low199 Ų199154.4 Ų154.487%0.86581%0.81SS**  trans-69.1159.3166.7-68.1-177.2176.6-177.20109.2
452Q26.2Very low25.8Very low188 Ų188153.9 Ų153.988%0.87982%0.816SS**  trans-62.5134.6173.1-68.7161.6-4900111
453H24.5Very low25.7Very low193 Ų193155.9 Ų155.989%0.89482%0.821SS**  trans-154157.2140.6-125.9-94.6000108.4
454V23.8Very low25.7Very low126 Ų126157.6 Ų157.676%0.76482%0.821SS**  trans-107.4170.9-162.3-164.60000111.5
455V24.4Very low25.7Very low128 Ų128157.7 Ų157.778%0.77682%0.823SS**  trans88.3142.9162.3-144.60000118
456T23.7Very low25.6Very low131 Ų131154.7 Ų154.780%0.80482%0.816SS**  trans76.3120164.3-40.70000118.9
457Q25.1Very low25.6Very low178 Ų178160.4 Ų160.483%0.83283%0.831SS**  trans-84.2145.3167.5-66.9178.6-1800111.3
458S27.1Very low25.8Very low122 Ų122162.3 Ų162.385%0.85383%0.831SS**  trans-140.2150.714958.40000109.3
459K25.6Very low25.7Very low181 Ų181165 Ų16579%0.78783%0.833SS**  trans-100.6173-174.3-65.8177.5178.7171.70111.2
460L24.7Very low25.7Very low141 Ų141163.6 Ų163.674%0.73883%0.829SS**  trans80.2152.5163.2-51.1162.2000114.9
461F26.6Very low25.7Very low186 Ų186159.1 Ų159.182%0.81682%0.823SS**  cis-121.4160.2-1.5-96.7-75.4000112.4
462S25Very low26Very low106 Ų106159.6 Ų159.674%0.74183%0.825SS**  trans-106.4124.1168.7-179.90000109.6
463L26.2Very low26.1Very low182 Ų182157.7 Ų157.795%0.95382%0.82SS**  trans-83.9112172-83.8165.2000109.5
464K26.2Very low26.2Very low194 Ų194155.9 Ų155.984%0.84382%0.817SS**  trans-113.8124.6178.7-155.4-177.9-174.1-1710108.6
465T26.2Very low26.5Very low137 Ų137158 Ų15884%0.8482%0.823SS**PPolyproline II helixtrans-61.4135.7179.3-43.40000110.7
466S24.3Very low26.6Very low111 Ų111155.4 Ų155.478%0.77682%0.823SS**PPolyproline II helixtrans-72.2130.7177.839.80000111.9
467M25.1Very low27.3Very low172 Ų172155.4 Ų155.485%0.84783%0.825SS**PPolyproline II helixtrans-94147.1156-77.3-178.661.800108.7
468I28.3Very low27.4Very low153 Ų153151.3 Ų151.379%0.78582%0.822SS**PPolyproline II helixtrans-86.9130.4170.8-61.5170.4000108
469Q27.1Very low27.6Very low180 Ų180152.9 Ų152.984%0.84182%0.819SS**  trans-131.8146160.5-85-175-61.800108.5
470H27.3Very low27.9Very low185 Ų185153 Ų15386%0.85682%0.819SS**  trans-92.2131.2166.6-83.4-90000109.2
471D26.8Very low28Very low149 Ų149152.8 Ų152.880%0.79782%0.819SS**  trans-75.5144.8171.9-82.6-52.6000112.4
472K31.3Very low28.1Very low208 Ų208154.7 Ų154.790%0.90482%0.821SS**  -148.6138.3122.4-133.9173.5-176.11790111.8
473L27.8Very low28.2Very low148 Ų148160.6 Ų160.678%0.77583%0.828SS**  trans-81.6160.9-172.1-66.8152.8000112.6
474N26.8Very low28.3Very low155 Ų155159 Ų15983%0.82982%0.821SS**  trans-157.6150.3130.9-102.7-27.7000113.6
475L30Very low28.5Very low170 Ų170154.8 Ų154.889%0.8982%0.816SS**  trans-64.9163.3-167.5-57.7111.5000116.7
476G27Very low28.6Very low75 Ų75154.9 Ų154.977%0.77381%0.811SS**  trans140.7127.9158.600000115
477P39.4Very low29.1Very low130 Ų130156.4 Ų156.484%0.84481%0.809SS**  trans-120.5161.8-166.142.3-33.3000118.4
478A27.4Very low29.1Very low93 Ų93156.3 Ų156.377%0.76981%0.807SS**  trans95.2164.814000000122.4
479I31.5Very low29.2Very low154 Ų154157.1 Ų157.179%0.7981%0.809SS**  trans91.789.6163.4-48-173.7000119.4
480K30.1Very low29.3Very low183 Ų183157.5 Ų157.580%0.79681%0.811SS**  47.1137128.5-65.8-179.4177.71750123.5
481N27.7Very low29.3Very low138 Ų138152.9 Ų152.974%0.73881%0.805SS**  trans67.8120.4147.1-61-7.4000117.9
482R28.3Very low29.3Very low226 Ų226149.9 Ų149.985%0.85380%0.801SS**  64.5105.161.1-174.2-154.6-95.1-165.1-4112.8
483Y27.8Very low29.1Very low229 Ų229146.4 Ų146.490%0.89879%0.792SS**  trans-138.6161.2147.2-103.6-77.6000111.7
484N27.7Very low29.2Very low149 Ų149146 Ų14680%0.79779%0.791SS**  trans-133.6-178.4-177.2-125.66.3000107.8
485S30.9Very low29.3Very low105 Ų105145.3 Ų145.373%0.73479%0.786SS**  trans76.8133.5-178.674.30000114.8
486N28.1Very low29.2Very low139 Ų139143.8 Ų143.874%0.74378%0.779SS**  cis98.612126.7-82.90.3000113.7
487I33.9Very low29.4Very low144 Ų144148.6 Ų148.674%0.73878%0.781SS**  trans68.3128.7146.4-57.1164000113.5
488Q26.1Very low28.8Very low170 Ų170149.7 Ų149.779%0.79478%0.775SS**  -159.217452.3-156.8154.4-44.600113.1
489M29.9Very low28.7Very low170 Ų170151.2 Ų151.284%0.83777%0.77SS**  trans-105141.7168.2-69.4-136.5-62.500112.7
490Q28.9Very low28.5Very low188 Ų188149.8 Ų149.888%0.87977%0.774SS**  trans173.5165.6146.9-97.9165.417.700108.1
491A27.6Very low28.3Very low88 Ų88152.8 Ų152.873%0.72778%0.78SS**  cis-178.1163.6-39.400000108.2
492A27.8Very low28.9Very low85 Ų85151.2 Ų151.270%0.70278%0.778SS**  trans78.9130.515700000121.6
493N27Very low28.8Very low135 Ų135147.3 Ų147.372%0.72277%0.773SS**  trans76.5115.2140-60.7-9.5000122.9
494N29.3Very low28.8Very low141 Ų141143.3 Ų143.375%0.75476%0.763SS**  45.1143.9115.8-37.5-30.9000118.9
495L29.6Very low28.7Very low140 Ų140146 Ų14673%0.73377%0.77SS**  cis-177.1144.939.2-176.358.4000111.4
496N28.4Very low28.7Very low138 Ų138149 Ų14974%0.73877%0.77SS**  trans59.3155.7164.6-63.1-8.8000117.4
497Q30.4Very low28.7Very low176 Ų176149.6 Ų149.682%0.82277%0.773SS**  cis-143155.430.3-74.4177.1-68.500115.2
498E26.1Very low28.4Very low153 Ų153149.8 Ų149.872%0.71578%0.781SS**  trans46.3128.5136.4-63.8-109.7105.800123.7
499N25.4Very low28.6Very low125 Ų125150.1 Ų150.167%0.66878%0.783SS**  trans55.799.9131.5-59.3-26.3000121.5
500S26.7Very low28.5Very low124 Ų124147 Ų14787%0.86778%0.778SS**  -161.7149.3100.936.40000111.9
501R27.1Very low28.6Very low245 Ų245142.5 Ų142.593%0.92577%0.767SS**  trans-104.5161170.8-99.4-163.4172.8-170.3-0.1110.7
502P41.1Very low28.8Very low105 Ų105146.1 Ų146.168%0.68277%0.769SS**  trans-112.8176.1-147.440.7-35000115.7
503L25.6Very low29Very low144 Ų144147.6 Ų147.675%0.75477%0.765SS**  115.8135.8128.6-136.376.8000117.7
504Q27.1Very low29.2Very low146 Ų146148.3 Ų148.368%0.68277%0.766SS**  trans69.3100.4163.1-47.8-160.74.100118.6
505E25.6Very low29Very low204 Ų204147.6 Ų147.695%0.95377%0.767SS**  -77.9146.3121.6-72-171.4128.500109.5
506K31.5Very low29.1Very low168 Ų168149.4 Ų149.473%0.7377%0.769SS**  trans-157.8127.3173.6-173.8-170.2-177.3-165.90107
507N27.5Very low29.3Very low152 Ų152152.3 Ų152.381%0.81378%0.775SS**  trans-168.9122.4159.5-97.1-22.8000112.5
508T26.9Very low30.3Very low148 Ų148149.1 Ų149.191%0.90877%0.77SS**  -160143.8117-67.70000105.9
509E32Very low30.6Very low177 Ų177147 Ų14783%0.82777%0.772SS**  trans-131151.4-169.6175175.5-128.800110.3
510S26.2Very low31Very low104 Ų104145.4 Ų145.473%0.72777%0.77SS**  trans-153.8108.4157.863.40000111.2
511S31.2Very low31.2Very low95 Ų95147.6 Ų147.666%0.66477%0.772SS**  trans53136.8139.549.90000121.1
512E32.6Very low31.3Very low163 Ų163139.7 Ų139.776%0.76277%0.767SS**  cis-162154.50.5-120176.6-142.600112.1
513N32.5Very low30.8Very low116 Ų116144.8 Ų144.862%0.6278%0.779SS**  trans44126.3149.2-62.2-38.7000120.4
514M30.8Very low30.8Very low151 Ų151143.6 Ų143.674%0.74478%0.783SS**  cis-156.4-161.5-0.6-95.5-159.6-168.500107.6
515T25.6Very low30.8Very low125 Ų125142.3 Ų142.377%0.76779%0.785SS**  cis-158170.420.9-35.20000113.5
516K31.5Very low30.9Very low179 Ų179139.1 Ų139.178%0.77878%0.779SS**  trans-47120.4179.8-60.9163.1-179.51760118.4
517F31.5Very low30.7Very low198 Ų198135.5 Ų135.587%0.86878%0.775SS**  41.2163.5100.4-75-58.4000122.5
518P51.6Low30.7Very low109 Ų109135.4 Ų135.471%0.70877%0.774SS**  cis-142.3-176.5-8.132.4-9.2000118.5
519S32.9Very low30.7Very low109 Ų109134.6 Ų134.676%0.76276%0.764SS**  trans82.8152.8146.2129.70000119.7
520S34.4Very low30.5Very low91 Ų91135.8 Ų135.864%0.63677%0.766SS**  cis-168164.1-15.349.80000113.3
521N29.7Very low30.5Very low170 Ų170137.6 Ų137.691%0.90977%0.768SS**  trans56.9148152.5-76.5-15.8000123.7
522G29Very low30.4Very low79 Ų79142 Ų14281%0.81478%0.775SS**  trans144.2108.5159.700000115.7
523K31.7Very low30Very low212 Ų212142.5 Ų142.592%0.92278%0.777SS**  trans-114.2141.4168.4-66.6176.9-179.8174.30109.9
524S25.2Very low29.8Very low120 Ų120144.2 Ų144.284%0.83979%0.786SS**  -169.1147.2120.1-159.50000113.8
525T27.5Very low29.5Very low119 Ų119142 Ų14273%0.7379%0.785SS**  trans-94.4178.5-179.136.30000113.8
526V27.9Very low29.4Very low137 Ų137142.9 Ų142.983%0.8379%0.785SS**  trans80.6138.8150.9143.10000116.2
527S25.7Very low29.1Very low92 Ų92139.5 Ų139.564%0.64378%0.784SS**  cis-161.8171.5-4530000115
528L28.5Very low28.9Very low150 Ų150134.2 Ų134.279%0.78578%0.776SS**  trans25.5117.7146.9-64.5163.9000119.7
529N26.6Very low27.7Very low131 Ų131135.5 Ų135.570%0.70178%0.782SS**  76.5105.265.5179.423.9000116.1
530K26.9Very low27.4Very low201 Ų201137.4 Ų137.487%0.87478%0.783SS**  trans-162.2169.7137.3-118.1173.2-175.3177.60114.1
531N26.3Very low27.1Very low143 Ų143141.3 Ų141.377%0.76580%0.796SS**  trans-83.9171.2-174.1-73.5-64.7000114.3
532K29.3Very low27Very low187 Ų187143.7 Ų143.781%0.81379%0.792SS**  trans22.5135.2145.4-60.8176.7179.8179.90117.4
533Q24.6Very low27.2Very low173 Ų173144.7 Ų144.781%0.80879%0.787SS**  -164.4168.853.2-166.2157.6-51.900113.2
534L28.8Very low27.1Very low153 Ų153140.4 Ų140.480%0.80177%0.774SS**  trans-42.6148.6176.3-61.5141.3000116.5
535S23.6Very low27.4Very low103 Ų103140.3 Ų140.372%0.7276%0.764SS**  174.1159.4118.8-75.70000114
536N23.3Very low27.5Very low145 Ų145141.5 Ų141.578%0.77577%0.766SS**  trans65.7124.3157.9-60.8-8.2000117.7
537S26.8Very low27.6Very low108 Ų108142.3 Ų142.376%0.75576%0.764SS**  76.8137.554.785.70000113.2
538A26.6Very low27.7Very low86 Ų86140.8 Ų140.871%0.71176%0.764SS**  cis-158.2-16918.100000112.9
539V26.9Very low27.8Very low136 Ų136141.2 Ų141.282%0.82477%0.772SS**  trans69.2109.4168.6-1680000114.7
540L26.3Very low28.1Very low149 Ų149139.9 Ų139.978%0.7877%0.769SS**  cis102.4102.837.1-172.4159.5000112.5
541L27.8Very low28.2Very low173 Ų173139.4 Ų139.491%0.90677%0.767SS**  trans-147.3162136.8-139.779.7000109
542R27.5Very low28.4Very low220 Ų220137.4 Ų137.483%0.8376%0.764SS**  trans-135.1154.1-159.3-166.7-177.2-1691734.5112.3
543S32.3Very low28.3Very low101 Ų101132.3 Ų132.371%0.70676%0.757SS**  trans113.8143.2146.777.50000115.2
544N30.4Very low28.7Very low122 Ų122129.7 Ų129.765%0.65275%0.752SS**  cis-152.2153.5-3.5-121.73.8000111.6
545N31.3Very low28.6Very low118 Ų118129 Ų12963%0.63175%0.749SS**  trans44.4137.6146.8-53.9-10.4000121.1
546N29.6Very low28.8Very low143 Ų143130.7 Ų130.777%0.76576%0.755SS**  cis-155.2146.8-9-114-17.5000113
547L31.3Very low29Very low154 Ų154131.4 Ų131.481%0.80675%0.753SS**  trans-45.2146.6157-172.676.1000112.1
548G27.9Very low29Very low61 Ų61133.5 Ų133.563%0.62975%0.753SS**  cis137.5148.4-400000112.8
549V30.1Very low28.8Very low158 Ų158139.5 Ų139.596%0.95876%0.763SS**  trans-126134.8162.6178.60000107.6
550V31.8Very low28.7Very low104 Ų104136.6 Ų136.663%0.6376%0.761SS**  trans-119.8123.5-155.2126.60000112.7
551K29.9Very low28.7Very low191 Ų191139.8 Ų139.883%0.8377%0.768SS**  trans61.7162.9159.7-59.8173-172.5175.50115.6
552S30.7Very low28.8Very low101 Ų101140.1 Ų140.171%0.70677%0.765SS**  cis-141.2138.5-7.2-143.80000106.7
553A27.4Very low28.8Very low80 Ų80137.9 Ų137.966%0.66177%0.77SS**  cis65.6133.837.900000112.3
554V31.8Very low28.8Very low117 Ų117140.9 Ų140.971%0.70978%0.777SS**  cis-156.2174.74.494.30000111.2V556V554-V556 HydrophobicContact CG1-CG2 4.35Å
555D27.4Very low28.8Very low140 Ų140142.1 Ų142.175%0.74979%0.789SS**  trans-48.7-171.2165.1-47.8-96.9000114.2
556V27.9Very low28.9Very low138 Ų138140.2 Ų140.284%0.83680%0.797SS**  -153.8149.267.51650000111.9V554V554-V556 HydrophobicContact CG1-CG2 4.35Å
557Q27Very low29Very low160 Ų160143 Ų14375%0.74880%0.803SS**  trans-90171.5-174.1-158.7-169.415.800112.8
558M26.9Very low29Very low152 Ų152141.2 Ų141.275%0.74980%0.802SS**  trans73.897.6140.5-143.370.2150.200120
559K22.7Very low29.3Very low212 Ų212145.9 Ų145.992%0.92281%0.81SS**  -168.8151.6110.2-104.9170.7-178.61760110.2
560G25.3Very low29.5Very low75 Ų75145.2 Ų145.277%0.77381%0.807SS**  trans-134.4-177.5-177.200000113
561K26.2Very low29.4Very low215 Ų215148.6 Ų148.694%0.93582%0.816SS**  trans-148.6149.1158.9-131.3177.3-176.3-178.60109.7
562E29.8Very low29.5Very low180 Ų180147.5 Ų147.584%0.84182%0.817SS**  trans-85.4158.9-171.5-57.5168.3126.700111.8
563N26.2Very low29.7Very low174 Ų174150.6 Ų150.693%0.9383%0.825SS**  trans-153.8145.2144.7-106.3-42.2000110.9
564L33.9Very low29.6Very low163 Ų163150.5 Ų150.585%0.85383%0.832SS**  trans-96139.7-166.7-68.4156.2000112.2
565T29.7Very low29.6Very low149 Ų149154.6 Ų154.691%0.91484%0.84SS**  trans165.9108.5134.6-72.80000109
566G33.1Very low29.6Very low77 Ų77153.2 Ų153.279%0.79484%0.841SS**  trans173.727.7-176.300000119.1
567K31.2Very low29.7Very low203 Ų203155.5 Ų155.588%0.88384%0.843SS**  trans-135.3106.5177.4-71.9-178.6178.5175.20111.6
568C31.6Very low29.7Very low116 Ų116151.2 Ų151.278%0.78484%0.841SS**SBendtrans171.969.6148.4-100.50000112.9
569I35.4Very low29.9Very low158 Ų158150.1 Ų150.181%0.8185%0.849SS**SBendtrans-138-33.8162.5-66.6-172.3000111.7Q571I569-Q571 VanDerWaalsContact C-N 3.31Å; I569-Q571 PolarHBondContact O-N 2.94Å
570T33.1Very low30.1Very low144 Ų144148.3 Ų148.388%0.88385%0.848SS**THydrogen-bonded Turntrans-80.29.4-170.337.70000116.6
571Q29.5Very low30.3Very low175 Ų175154.5 Ų154.582%0.81885%0.854SS**THydrogen-bonded Turntrans-112.712.2-167.9-138.5168.42.800115.8I569I569-Q571 VanDerWaalsContact C-N 3.31Å; I569-Q571 PolarHBondContact O-N 2.94Å
572I32.7Very low30.3Very low168 Ų168152.8 Ų152.886%0.86285%0.854SS**SBendtrans-119.849.4170.3-39.9-178.5000110.7
573L34.9Very low30Very low166 Ų166153.9 Ų153.987%0.86986%0.856SS**  trans-135.762.3164.2-164.966000109.6K575L573-K575 PolarHBondContact O-N 2.96Å; L573-K575 VanDerWaalsContact O-N 3.09Å
574G26.3Very low30.1Very low79 Ų79157 Ų15781%0.81486%0.855SS**  trans-7395.2179.700000112.3
575K31Very low29.8Very low203 Ų203158 Ų15888%0.88386%0.855SS**  trans12.1125.1153.2-58.5175.5-179.21780117.9L573L573-K575 PolarHBondContact O-N 2.96Å; L573-K575 VanDerWaalsContact O-N 3.09Å
576S26.8Very low30Very low110 Ų110156 Ų15677%0.76984%0.844SS**  trans-132.3130.3137.750.40000110
577H30.8Very low29.6Very low187 Ų187161.2 Ų161.287%0.86685%0.848SS**  trans-4.1138.7171.8-45.4-81.5000118.7
578G27.6Very low29.3Very low69 Ų69157.6 Ų157.671%0.71184%0.837SS**  cis115.8102.423.600000109L580G578-L580 PolarHBondContact O-N 2.96Å
579S30Very low29.1Very low130 Ų130162 Ų16291%0.90984%0.843SS**  trans-69.3120.4-168.4-53.20000113.5
580L27.8Very low28.7Very low173 Ų173161.9 Ų161.991%0.90684%0.839SS**  trans-120136.1162.9-81.8168.4000110G578G578-L580 PolarHBondContact O-N 2.96Å
581K28.8Very low28.5Very low206 Ų206160.7 Ų160.790%0.89684%0.836SS**  trans-86.3133.9173.1-65.2176.3179.9175.60109.2
582L25.8Very low28.3Very low178 Ų178160.1 Ų160.193%0.93284%0.839SS**  trans-146.1175.2152.8-138.470.6000111.5
583K24.9Very low28.1Very low203 Ų203155.5 Ų155.588%0.88383%0.833SS**  trans-81.5158.4-159.7-62.8176.1179.8175.50113.7
584R28Very low27.6Very low241 Ų241156.5 Ų156.591%0.90983%0.833SS**  trans-73.8138.2160.3-71.2175.5169.3174.9-5.4110.3
585Q27.1Very low27.7Very low182 Ų182158.8 Ų158.885%0.8583%0.831SS**  -162.1163.8111.4-107.9-178.2-42.300109.7
586P33.3Very low27.4Very low108 Ų108157.9 Ų157.970%0.70183%0.83SS**  trans-91.6151.7-166.835.9-34.5000112.8
587H24.6Very low27.4Very low186 Ų186160 Ų16086%0.86183%0.833SS**  trans-123.1147155.4-84.2-81.5000110.9
588I26.6Very low28.1Very low127 Ų127155.6 Ų155.665%0.65182%0.821SS**  trans-53.5151.5174-66.7148.5000110.4E590I588-E590 HydrophobicContact CG2-CG 3.94Å
589F26.8Very low27.9Very low210 Ų210163.7 Ų163.792%0.92183%0.83SS**  trans-127.1119.4148-119.1-84.6000107.5
590E25.8Very low27.8Very low154 Ų154164.7 Ų164.772%0.7282%0.824SS**  trans-69.8159.1173.7-76.5123.8142.300111.4I588I588-E590 HydrophobicContact CG2-CG 3.94Å
591S29.4Very low27.7Very low119 Ų119163.1 Ų163.183%0.83282%0.816SS**  trans-105.794.9174.557.20000109.3
592D25.8Very low27.6Very low164 Ų164160 Ų16088%0.87781%0.805SS**  trans-67.2145.7170.4-68.9-40.5000111.2
593G27.8Very low27.7Very low71 Ų71158.5 Ų158.573%0.73279%0.793SS**  trans-158.7160.5172.100000110.4
594E25.3Very low27.8Very low186 Ų186157.1 Ų157.187%0.86979%0.79SS**  trans-117.3114177.8-61.8171.6136.300106
595T27.6Very low27.7Very low127 Ų127150.2 Ų150.278%0.77978%0.778SS**  49.213086.956.90000113.3
596E24.9Very low27.9Very low185 Ų185149.5 Ų149.586%0.86478%0.775SS**  cis-141.3121.339.3-60.117413300115.2
597D27.8Very low27.8Very low154 Ų154149.6 Ų149.682%0.82477%0.77SS**  58.8176.6105.9-12631.3000122.3
598P43.9Very low28.2Very low95 Ų95148.7 Ų148.762%0.61777%0.766SS**  -138.3173.3-105.444.4-26.4000116.9
599R24.8Very low28.4Very low238 Ų238146.2 Ų146.290%0.89876%0.764SS**  trans-148.397155.4-74.2-157.2173.8-161.5-4.7115.7
600L27.5Very low28.6Very low151 Ų151144.3 Ų144.379%0.79176%0.756SS**  53.9141.6124.1-70.6168.1000124.1
601L26Very low28.8Very low140 Ų140143.8 Ų143.873%0.73375%0.753SS**  trans73141.5155.7-91.872.3000118.6
602Q25.5Very low28.7Very low140 Ų140144.8 Ų144.865%0.65475%0.754SS**  cis-162.3155.9-12.7-149.2176.8-15.200113.9
603Q28.2Very low28.8Very low147 Ų147140.7 Ų140.769%0.68775%0.75SS**  trans84.5144.1139.2-113.8171-7.600123.8
604Q27.1Very low29Very low175 Ų175143.1 Ų143.182%0.81875%0.752SS**  trans67.3138.7162.7-65.2-179.3-15.100119.6
605S27.2Very low29.1Very low95 Ų95138.8 Ų138.866%0.66474%0.741SS**  cis-171.7149-2745.80000109.8
606E30.2Very low29.3Very low167 Ų167139.2 Ų139.278%0.7874%0.739SS**  trans29.1141.5139.4-68.3-172.9-133.500120.8
607N30.8Very low29.6Very low111 Ų111137.9 Ų137.959%0.59473%0.732SS**  cis-169.4178.913.8-99.7-20.4000107.2
608Q32.5Very low29.8Very low167 Ų167140.2 Ų140.278%0.7873%0.73SS**  cis-167.6178.6-10.5-109176.660.300105.1
609A30.8Very low29.3Very low75 Ų75141.9 Ų141.962%0.6273%0.733SS**  cis-174.1167.8-44.600000108.5
610K31.7Very low29.5Very low169 Ų169137.3 Ų137.374%0.73573%0.725SS**  trans65.8152.9172.5-67.8175.8158.9-80.50116.6
611E29.5Very low29.7Very low143 Ų143136.3 Ų136.367%0.66873%0.725SS**  cis-157.3158.4-18.1-117.8160.8169.800111.5
612V28.8Very low29.8Very low140 Ų140135.5 Ų135.585%0.84873%0.731SS**  trans24.4127.3148.2178.10000120.3
613G27.5Very low30.1Very low78 Ų78138 Ų13880%0.80474%0.739SS**  trans-1768716600000114.2
614T30.7Very low30.1Very low123 Ų123138.9 Ų138.976%0.75575%0.747SS**  trans-71.5153-169.242.90000117.2
615S29.1Very low30.2Very low94 Ų94134.4 Ų134.466%0.65774%0.74SS**  trans67.211814364.40000121.4
616D31.7Very low30.4Very low137 Ų137138.7 Ų138.773%0.73375%0.749SS**  45.6123.9122.9-75.9-62.7000120.2
617H31.1Very low30.3Very low156 Ų156140.8 Ų140.872%0.72276%0.756SS**  -170.313665-112-13.2000115.7
618R31.5Very low30.2Very low203 Ų203140.3 Ų140.377%0.76676%0.761SS**  57.3111117.7-163.7179175.6-165.4-5.1122.4
619L33Very low30.1Very low130 Ų130141.8 Ų141.868%0.68177%0.765SS**  trans91.4158.8135.6-83.9178.4000124.6
620I29.4Very low30Very low142 Ų142149.5 Ų149.573%0.72878%0.778SS**  trans7198.6161.8-65143.1000115.1
621V30.7Very low30Very low130 Ų130150.5 Ų150.579%0.78878%0.782SS**  60.198.964.9-173.20000114.5
622S29.2Very low29.8Very low123 Ų123151.3 Ų151.386%0.8679%0.79SS**  trans-158.2162.713855.50000111.4
623K31.1Very low30Very low192 Ų192149.6 Ų149.684%0.83578%0.783SS**  trans-102.1159.5177.7-56.2167.5-178.9171.90108.9
624I29.4Very low30.8Very low167 Ų167152.3 Ų152.386%0.85679%0.787SS**  175.4143.6118.2-91.9158000114.1
625A27.6Very low30.7Very low80 Ų80154.8 Ų154.866%0.66179%0.79SS**  trans32.4117.6158.100000124.4
626H32.5Very low31.1Very low186 Ų186155.6 Ų155.686%0.86180%0.795SS**  19.1131.1126.1-59.3-78.3000122.2
627K28.1Very low31.3Very low211 Ų211153.4 Ų153.492%0.91779%0.791SS**  -160.8127.4126.9-115.2169.3-175.3176.30115.8
628S28.5Very low31.5Very low101 Ų101154.8 Ų154.871%0.70680%0.795SS**  trans43.6108.4144.3-168.20000124.6
629K31.1Very low31.6Very low197 Ų197151.5 Ų151.586%0.85780%0.798SS**  41.7120.9128.4-58.7178.4177.1178.10122.5
630R27.7Very low31.9Very low238 Ų238150.3 Ų150.390%0.89880%0.8SS**  -160.2133121.4-104.4174.4173.7167-3.2108
631K32.3Very low32Very low190 Ų190153.1 Ų153.183%0.82681%0.807SS**  57.4139.492.4-72.2-161172.4-166.30113.3
632L25.8Very low32Very low160 Ų160155.1 Ų155.184%0.83881%0.805SS**  cis-155.9176.240.9-126.6131.5000114.1
633C32.4Very low32.1Very low104 Ų104155.4 Ų155.470%0.70379%0.792SS**  trans-84.2-173.9166.4-49.10000111.5
634P43.2Very low32Very low134 Ų134154.3 Ų154.387%0.8779%0.79SS**  -142-162.893.139.3-23.3000114.9
635E29.6Very low32.1Very low175 Ų175151.3 Ų151.382%0.81878%0.784SS**  trans-156.6172.3-149.6-177.3176.9-154.900112.9
636S37.3Very low32.2Very low111 Ų111154.6 Ų154.678%0.77679%0.79SS**  trans81.7167.7158.390.90000116.9
637S36Very low32.1Very low91 Ų91152.2 Ų152.264%0.63679%0.789SS**  cis-149.3179.51.3490000108.3
638K35.8Very low32.1Very low185 Ų185145.9 Ų145.980%0.80478%0.776SS**  cis-140.9-162.619.7-61.1172.5-175.2173.10107.6
639T33Very low32.2Very low135 Ų135148.5 Ų148.583%0.82878%0.777SS**  cis-146.7-132.98.8-38.30000109.9
640S38.9Very low32.2Very low105 Ų105149 Ų14973%0.73478%0.775SS**  trans-161.3156.8-172.662.60000115.4
641K32.2Very low32.2Very low200 Ų200141 Ų14187%0.8777%0.766SS**  trans-179.1112.9138.5-103.3171.3-177.2178.70115.5
642K31.3Very low32.2Very low173 Ų173140.5 Ų140.575%0.75277%0.767SS**  trans57.8136.2130.4-112.9177167.7-141.20125.2
643H31.2Very low32.4Very low128 Ų128137.8 Ų137.859%0.59376%0.761SS**  trans100.6113.4144.5-71.7-60.4000123.7
644H28.1Very low32.3Very low170 Ų170139 Ų13979%0.78777%0.771SS**  trans46.3129.8142-57.8-52.9000124.9
645S31.1Very low31.8Very low103 Ų103138.2 Ų138.272%0.7277%0.768SS**  -164.3145106.437.80000111.9
646N29.3Very low31.9Very low150 Ų150134.5 Ų134.580%0.80276%0.762SS**  trans55.4125.6157.6-56.4-4.7000118.7
647T30.4Very low31.5Very low135 Ų135140.5 Ų140.583%0.82877%0.768SS**  cis66.6118.229.8-40.30000112.4
648A29Very low31.4Very low78 Ų78145.1 Ų145.165%0.64578%0.776SS**  cis-137.315510.800000110.7
649H31Very low31.2Very low156 Ų156144.1 Ų144.172%0.72277%0.774SS**  49.5141.794.8-63.9-62.5000116.3
650Y30.1Very low31.3Very low208 Ų208144.7 Ų144.782%0.81677%0.771SS**  cis-156.8174.1-0.8-131.1-66.6000108.1
651G29Very low30.7Very low70 Ų70147.7 Ų147.772%0.72278%0.778SS**  trans129.7113.4154.900000115.8
652Q31.5Very low30.8Very low179 Ų179145.1 Ų145.184%0.83677%0.774SS**  trans-91.9141.7179.3-72.6165.1-83.800112.8
653S30.7Very low30.9Very low104 Ų104141.5 Ų141.573%0.72777%0.77SS**  trans0.7133.6152.257.10000120.1
654S28.7Very low30.8Very low130 Ų130141.3 Ų141.391%0.90977%0.774SS**  -179.3179.2105.4540000114.4
655S32.6Very low31.2Very low116 Ų116141.4 Ų141.481%0.81177%0.772SS**  trans-78.3160.7-159-1710000118.3
656S31.8Very low31.3Very low98 Ų98141.7 Ų141.769%0.68577%0.774SS**  trans88.591.8141.2-172.10000123.7
657R30.7Very low31.7Very low237 Ų237144.5 Ų144.589%0.89478%0.779SS**  56.4114.5112.7-168.1-169.9-165.3-176.76.1122.5
658K33.5Very low33.1Very low188 Ų188143.6 Ų143.682%0.81778%0.775SS**  trans178.7159.3142.3-100.1165.1-1761790108
659Q31.7Very low33.3Very low163 Ų163149.2 Ų149.276%0.76279%0.785SS**  cis-135.9147.4-0.1-101.8146.5-33.400107.4
660I33.7Very low33.3Very low147 Ų147151 Ų15175%0.75479%0.791SS**  65.4108.872.9-57.7174000115
661L27.9Very low33.5Very low168 Ų168146 Ų14688%0.8879%0.786SS**  -166.2149.2113.8-157.966.2000111.9
662D32.7Very low33.8Very low147 Ų147149.8 Ų149.879%0.78679%0.789SS**  trans-116.9156.2174.8-88.4-60.7000111.2
663S34.9Very low34Very low96 Ų96148 Ų14867%0.67178%0.783SS**  151.4113.9126-69.70000115.1
664D29.4Very low34.5Very low125 Ų125150.1 Ų150.167%0.66879%0.785SS**  -179.5134.6101-100.3-15.2000110.2
665K35.3Very low35.7Very low172 Ų172149.8 Ų149.875%0.74878%0.78SS**  59.7132.376.7-57.8-170.5-154.294.50112.8
666S33Very low36.2Very low109 Ų109151.6 Ų151.676%0.76278%0.781SS**  cis-158.5145.89.759.20000115.2
667K38.3Very low36.8Very low208 Ų208155.3 Ų155.390%0.90482%0.817SS**  trans33.1155.4144.8-77.1-176.5176.5177.60123.7
668P60.5Low37.1Very low116 Ų116151.3 Ų151.375%0.75381%0.813SS**  trans-109.9169.4-162.642.2-35.6000116
669K31.6Very low37.3Very low197 Ų197149.3 Ų149.386%0.85781%0.813SS**  trans-170.8155.8148.6-114.8162-173.4174.80116.5
670K32Very low37.7Very low194 Ų194148.6 Ų148.684%0.84382%0.816SS**  trans76.8126.5153.7-74.8-175.7174.4-174.40122
671S35.1Very low37.9Very low101 Ų101148.6 Ų148.671%0.70682%0.82SS**  trans-79.1154.5160.250.80000114.2
672L33.5Very low38.5Very low150 Ų150147.4 Ų147.479%0.78582%0.816SS**  trans-174121.7141.9-88.6134.7000105.5
673I36.4Very low38.9Very low142 Ų142147.5 Ų147.573%0.72882%0.818SS**  75101.676.3-67.5170.3000113.8
674I42.1Very low39.2Very low149 Ų149151.1 Ų151.176%0.76483%0.828SS**  trans10.2126.3134.1-68.3170.7000115.5
675P53.7Low39.9Very low122 Ų122153.2 Ų153.279%0.79284%0.841SS**  -141.4172.287.739.4-24.1000117.3
676N41.5Very low40.3Very low155 Ų155151.6 Ų151.683%0.82985%0.848SS**  trans-71.8158.7-178.6-51.4-19.7000113.5
677A46.1Very low41Very low176 Ų176155.5 Ų155.5100%1.45586%0.856SS**  trans-128.40135.500000107.5

Retrieved 677 of 677 residues in 373 ms (Link to these results)

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