A0A096MYY4_PAPAN Loading...

Periodic tryptophan protein 1 homolog

Chromatin-associated factor that regulates transcription. Regulates Pol I-mediated rRNA biogenesis and, probably, Pol III-mediated transcription. Regulates the epigenetic status of rDNA.

AlphaFold DB (A0A2K5LVX4), UniProt , Accession A0A096MYY4, Species PAPAN (Papio anubis, Olive baboon), Gene PWP1, Length 501 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
1M39.7Very low76.7Confident237 Ų23777.8 Ų77.8100%1.16737%0.368SS*.  0108.80-84.6156.9160.800107.6R3M1-R3 PolarHBondContact O-N 3.47Å; M1-R3 VanDerWaalsContact O-N 3.07Å
2N47Very low78.2Confident172 Ų17272.6 Ų72.692%0.9234%0.342SS*.  trans-68.9102.5174.2-89.4-3.3000108.2S4N2-S4 PolarHBondContact O-N 3.3Å
3R55.4Low79.3Confident189 Ų18967.1 Ų67.171%0.71332%0.316SS*.  trans-63.9117168-68.7-175.1-178.9-175.9-0107.1M1 R5M1-R3 PolarHBondContact O-N 3.47Å; M1-R3 VanDerWaalsContact O-N 3.07Å; R3-R5 PolarHBondContact O-N 3.23Å
4S63.3Low79.9Confident38 Ų3870.5 Ų70.527%0.26633%0.325SS..  trans-68.3117.6174.8-163.80000107.4N2 Q6 Q451N2-S4 PolarHBondContact O-N 3.3Å; S4-Q6 VanDerWaalsContact OG-CG 3.27Å; S4-Q6 WeakPolarHBondContact OG-CG 3.33Å; S4-Q6 PolarHBondContact OG-NE2 2.99Å; S4-Q451 PolarHBondContact OG-O 2.95Å
5R77.8Confident80.3Confident136 Ų13669.3 Ų69.351%0.51333%0.327SS..  trans-102.791.5175.1-67.9173.3163.5-178.2-0.5107.1R3 R156 E158 G454R3-R5 PolarHBondContact O-N 3.23Å; R5-R156 VanDerWaalsContact NE-NH2 3.12Å; R5-E158 IonicContact NE-OE1 3.74Å; R5-G454 PolarHBondContact O-N 3.43Å
6Q90.1Very high80.3Confident43 Ų4368.4 Ų68.420%0.20134%0.342CS..EExtended strand (participates in β ladder)trans-96.3134.9-172.7-56.6-177-6.400109.5S4 R156 A157 F434 Q451S4-Q6 VanDerWaalsContact OG-CG 3.27Å; S4-Q6 WeakPolarHBondContact OG-CG 3.33Å; S4-Q6 PolarHBondContact OG-NE2 2.99Å; Q6-R156 WeakPolarHBondContact O-CA 3.42Å; Q6-A157 PolarHBondContact N-O 2.99Å; Q6-A157 PolarHBondContact O-N 3.15Å; Q6-F434 HydrophobicContact CB-CE2 4.21Å; Q6-F434 HydrophobicContact CG-CE2 4.4Å; Q6-Q451 HydrophobicContact CG-CG 4.15Å
7V93.3Very high80.5Confident0 Ų066.6 Ų66.60%034%0.335CS..EExtended strand (participates in β ladder)trans-107119.9169.5170.80000108.2C154 G155 R156 F434 G450 G454 L455V7-C154 HydrophobicContact CG1-CB 3.81Å; V7-G155 WeakPolarHBondContact CA-O 3.35Å; V7-R156 HydrophobicContact CG2-CB 4.37Å; V7-F434 WeakPolarHBondContact O-CD2 3.18Å; V7-G450 PolarHBondContact N-O 3.25Å; V7-G450 VanDerWaalsContact N-O 3.12Å; V7-G454 VanDerWaalsContact CG2-C 3.45Å; V7-L455 HydrophobicContact CG2-CB 4.21Å
8T92.5Very high80.6Confident15 Ų1563.9 Ų63.99%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-95.6-35.4-167.660.60000111.8G155 A157 Y187 P188T8-G155 PolarHBondContact N-O 2.77Å; T8-G155 PolarHBondContact OG1-O 3.01Å; T8-A157 HydrophobicContact CG2-CB 4.16Å; T8-Y187 HydrophobicContact CG2-CD1 4.44Å; T8-Y187 HydrophobicContact CG2-CE1 3.47Å; T8-Y187 VanDerWaalsContact CG2-CE1 3.47Å; T8-Y187 HydrophobicContact CG2-CE2 4.28Å; T8-Y187 WeakPolarHBondContact CG2-OH 3.41Å; T8-P188 VanDerWaalsContact CB-O 3.29Å; T8-P188 WeakPolarHBondContact CB-O 3.5Å; T8-P188 PolarHBondContact OG1-O 3.12Å
9C93.7Very high80.6Confident6 Ų664.7 Ų64.74%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-147.8153.7-176.953.60000110.4C154 G155 L189 V191 C435C9-C154 WeakPolarHBondContact O-CA 3.42Å; C9-G155 PolarHBondContact O-N 3.23Å; C9-L189 WeakPolarHBondContact CB-O 3.34Å; C9-V191 HydrophobicContact CB-CG2 3.98Å; C9-C435 VanDerWaalsContact CA-SG 3.51Å
10V95.9Very high80.7Confident13 Ų1367.3 Ų67.38%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-148.2138.8-177.165.90000110.6I152 V153 C154 C435 A447 L455V10-I152 HydrophobicContact CG2-CG2 3.49Å; V10-I152 VanDerWaalsContact CG2-CG2 3.49Å; V10-V153 CarbonylContact C-O 3.59Å; V10-V153 WeakPolarHBondContact CA-O 3.44Å; V10-C154 HydrophobicContact CB-CB 4.48Å; V10-C154 HydrophobicContact CG2-CB 4.32Å; V10-C435 HydrophobicContact CG1-CB 4.13Å; V10-A447 HydrophobicContact CG2-CB 3.88Å; V10-L455 HydrophobicContact CG2-CD1 3.88Å
11A95.1Very high80.7Confident7 Ų767.7 Ų67.76%0.05834%0.343CS..EExtended strand (participates in β ladder)trans-138.6147.6174.200000110.8V153 V191 I208A11-V153 PolarHBondContact N-O 3.12Å; A11-V153 PolarHBondContact O-N 3.34Å; A11-V191 HydrophobicContact CB-CB 4.49Å; A11-V191 HydrophobicContact CB-CG2 3.8Å; A11-I208 HydrophobicContact CB-CD1 4.33Å
12W94.9Very high82.7Confident15 Ų1557.4 Ų57.46%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-99142.9174.8-73.490.9000111.4N150 I152 Y169 S437 C438 C439 P440 I445 A447 V457W12-N150 HydrophobicContact CE3-CB 3.99Å; W12-N150 HydrophobicContact CZ3-CB 3.82Å; W12-I152 HydrophobicContact CD2-CD1 4.47Å; W12-I152 HydrophobicContact CD2-CG1 3.94Å; W12-I152 HydrophobicContact CE3-CD1 4.15Å; W12-I152 HydrophobicContact CE3-CG1 3.53Å; W12-I152 HydrophobicContact CH2-CD1 3.22Å; W12-I152 HydrophobicContact CH2-CG1 3.6Å; W12-I152 HydrophobicContact CZ2-CD1 3.6Å; W12-I152 HydrophobicContact CZ2-CG1 4Å; W12-I152 HydrophobicContact CZ3-CD1 3.53Å; W12-I152 HydrophobicContact CZ3-CG1 3.34Å; W12-Y169 AromaticContact CH2-CD1 3.86Å; W12-Y169 HydrophobicContact CH2-CD1 3.86Å; W12-Y169 HydrophobicContact CH2-CE1 4.39Å; W12-Y169 HydrophobicContact CH2-CG 4.17Å; W12-Y169 AromaticContact CZ3-CD1 3.85Å; W12-Y169 HydrophobicContact CZ3-CD1 3.85Å; W12-Y169 HydrophobicContact CZ3-CG 4.24Å; W12-S437 PolarHBondContact NE1-O 2.91Å; W12-C438 VanDerWaalsContact CD1-O 3.24Å; W12-C439 HydrophobicContact CD2-CB 3.95Å; W12-C439 HydrophobicContact CE3-CB 4.1Å; W12-C439 HydrophobicContact CH2-CB 4.11Å; W12-C439 HydrophobicContact CZ2-CB 3.96Å; W12-C439 HydrophobicContact CZ3-CB 4.18Å; W12-P440 VanDerWaalsContact CB-CD 3.42Å; W12-P440 HydrophobicContact CB-CG 4.17Å; W12-I445 HydrophobicContact CH2-CG2 3.7Å; W12-I445 HydrophobicContact CZ2-CG2 3.9Å; W12-A447 HydrophobicContact CZ2-CB 3.73Å; W12-V457 HydrophobicContact CH2-CG1 4.24Å; W12-V457 HydrophobicContact CZ2-CG1 4.42Å
13V92.1Very high84.3Confident1 Ų153.4 Ų53.41%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-106.4137.2166.1-172.30000108.6V17 N150 L151 V153 W193 L222V13-V17 HydrophobicContact CG1-CB 4.15Å; V13-V17 HydrophobicContact CG1-CG1 4.25Å; V13-N150 PolarHBondContact O-ND2 3.07Å; V13-L151 HydrophobicContact CB-CB 3.86Å; V13-L151 HydrophobicContact CB-CG 4.46Å; V13-L151 HydrophobicContact CG2-CB 4Å; V13-L151 PolarHBondContact N-O 3.09Å; V13-L151 PolarHBondContact O-N 2.67Å; V13-V153 HydrophobicContact CG2-CG2 4.16Å; V13-W193 HydrophobicContact CG1-CZ2 4.48Å; V13-W193 HydrophobicContact CG2-CG 4.11Å; V13-L222 HydrophobicContact CG2-CD1 3.8Å
14R88.1Confident85.3Confident115 Ų11550 Ų5043%0.43426%0.262SS..  trans-68.8152.9179.3-69.4-177.3-175.9-169.3-0.7111.5V17 P440 D441R14-V17 HydrophobicContact CB-CG2 3.99Å; R14-P440 HydrophobicContact CG-CB 3.84Å; R14-P440 HydrophobicContact CG-CG 3.54Å; R14-D441 VanDerWaalsContact CA-OD2 3.3Å; R14-D441 WeakPolarHBondContact CA-OD2 3.27Å
15C86.1Confident85.9Confident52 Ų5251.1 Ų51.135%0.35127%0.268SS..THydrogen-bonded Turntrans-62.3145.4175.163.90000112.1V17 P147 D149 N150 D441C15-V17 PolarHBondContact O-N 3.33Å; C15-P147 WeakPolarHBondContact CB-O 2.93Å; C15-D149 WeakPolarHBondContact CA-O 3.31Å; C15-N150 PolarHBondContact N-ND2 3.45Å; C15-D441 PolarHBondContact N-OD2 3.43Å
16G79.9Confident85.6Confident55 Ų5552.3 Ų52.357%0.56728%0.279SS*.THydrogen-bonded Turntrans69.912.217700000115.9P147G16-P147 PolarHBondContact N-O 3.38Å
17V83Confident84.7Confident39 Ų3953.4 Ų53.424%0.23629%0.286CS..  trans-87.8-45.1171.9173.90000111V13 R14 C15 W193 N206V13-V17 HydrophobicContact CG1-CB 4.15Å; V13-V17 HydrophobicContact CG1-CG1 4.25Å; R14-V17 HydrophobicContact CB-CG2 3.99Å; C15-V17 PolarHBondContact O-N 3.33Å; V17-W193 HydrophobicContact CB-CZ2 4.35Å; V17-W193 HydrophobicContact CG1-CZ2 3.56Å; V17-W193 HydrophobicContact CG2-CH2 4.32Å; V17-W193 HydrophobicContact CG2-CZ2 4.04Å; V17-N206 HydrophobicContact CG1-CB 4.11Å
18A82.9Confident83.8Confident18 Ų1855.9 Ų55.915%0.14930%0.304CS..SBendtrans-66.1148.1-17600000111.4E20 I145 L151 D223A18-E20 PolarHBondContact O-N 3.33Å; A18-I145 HydrophobicContact CB-CD1 4.34Å; A18-I145 HydrophobicContact CB-CG2 4.2Å; A18-L151 HydrophobicContact CB-CD1 3.59Å; A18-L151 HydrophobicContact CB-CG 4.39Å; A18-D223 WeakPolarHBondContact CA-OD1 3.45Å
19K80.9Confident83Confident78 Ų7863.8 Ų63.834%0.33934%0.336SS..  trans-64.3133.2173.1-167.2-179.5-177.1-170.60109.8T21 D23 D223K19-T21 VanDerWaalsContact C-N 3.25Å; K19-T21 VanDerWaalsContact CD-O 3.28Å; K19-T21 WeakPolarHBondContact CD-O 3.48Å; K19-T21 WeakPolarHBondContact CE-O 3.49Å; K19-T21 WeakPolarHBondContact CG-O 3.03Å; K19-T21 PolarHBondContact O-N 3.2Å; K19-D23 IonicContact NZ-OD1 2.69Å; K19-D23 PolarHBondContact NZ-OD1 2.83Å; K19-D23 IonicContact NZ-OD2 2.68Å; K19-D23 PolarHBondContact NZ-OD2 3.2Å; K19-D223 HydrophobicContact CB-CB 3.87Å; K19-D223 HydrophobicContact CD-CB 4.5Å; K19-D223 PolarHBondContact N-OD1 3.1Å
20E81.7Confident82.2Confident117 Ų11771.2 Ų71.255%0.54737%0.371SS..SBendtrans-56.3-41.2-178-68-177.9170.400112.2A18 L144 I145A18-E20 PolarHBondContact O-N 3.33Å; E20-L144 HydrophobicContact CB-CD1 4.36Å; E20-I145 WeakPolarHBondContact CA-O 3.3Å; E20-I145 PolarHBondContact O-N 3.49Å
21T80.3Confident81.2Confident76 Ų7674.6 Ų74.647%0.46639%0.386SS..SBendtrans-121.5104.9173.857.10000109.1K19 L144K19-T21 VanDerWaalsContact C-N 3.25Å; K19-T21 VanDerWaalsContact CD-O 3.28Å; K19-T21 WeakPolarHBondContact CD-O 3.48Å; K19-T21 WeakPolarHBondContact CE-O 3.49Å; K19-T21 WeakPolarHBondContact CG-O 3.03Å; K19-T21 PolarHBondContact O-N 3.2Å; T21-L144 HydrophobicContact CG2-CD1 3.73Å
22P81.8Confident80.3Confident21 Ų2177 Ų7714%0.13640%0.4CS..PPolyproline II helixtrans-58.1146174.7-28.238.1000112.3F143 I145 D223 V225P22-F143 WeakPolarHBondContact CD-O 3.23Å; P22-I145 HydrophobicContact CG-CD1 3.73Å; P22-I145 HydrophobicContact CG-CG1 4.4Å; P22-D223 CarbonylContact C-O 3.49Å; P22-D223 WeakPolarHBondContact CA-O 3.46Å; P22-D223 WeakPolarHBondContact CB-O 3.43Å; P22-V225 HydrophobicContact CB-CG2 3.6Å; P22-V225 HydrophobicContact CG-CG2 4.4Å
23D80.5Confident79.4Confident87 Ų8783.4 Ų83.447%0.46543%0.428SS..EExtended strand (participates in β ladder)trans-79.9127.7175.8-67.6-36.2000109.6K19 D223 I224 V225K19-D23 IonicContact NZ-OD1 2.69Å; K19-D23 PolarHBondContact NZ-OD1 2.83Å; K19-D23 IonicContact NZ-OD2 2.68Å; K19-D23 PolarHBondContact NZ-OD2 3.2Å; D23-D223 PolarHBondContact N-O 3.18Å; D23-I224 WeakPolarHBondContact O-CA 3.39Å; D23-V225 PolarHBondContact O-N 2.8Å
24K77Confident79Confident117 Ų11791.2 Ų91.251%0.50946%0.457SS..EExtended strand (participates in β ladder)trans-93.8126177.6-167.3175.1-175.8177.10110.5E26 D226K24-E26 PolarHBondContact O-N 2.98Å; K24-D226 VanDerWaalsContact CE-OD2 3.32Å; K24-D226 WeakPolarHBondContact CE-OD2 3.38Å
25V76.4Confident78.6Confident62 Ų6287.7 Ų87.738%0.37645%0.447SS..  trans-83.3102.3176.4-175.60000109.6L27 I224 V225V25-L27 HydrophobicContact CG1-CD2 4.19Å; V25-L27 HydrophobicContact CG1-CG 4.23Å; V25-I224 HydrophobicContact CG2-CG2 3.36Å; V25-V225 PolarHBondContact N-O 2.85Å
26E70.8Confident78.4Confident162 Ų16290.2 Ų90.276%0.75746%0.456SS*.  trans-94.5105.1171-66-168.1167.500110.6K24K24-E26 PolarHBondContact O-N 2.98Å
27L70.9Confident78.3Confident65 Ų6590.4 Ų90.434%0.3445%0.452SS..  trans-78.3133.1177.9-66.5167.4000111.3V25 E31 V32 L35 L228V25-L27 HydrophobicContact CG1-CD2 4.19Å; V25-L27 HydrophobicContact CG1-CG 4.23Å; L27-E31 HydrophobicContact CD2-CB 4.27Å; L27-V32 HydrophobicContact CB-CG2 3.66Å; L27-V32 HydrophobicContact CD1-CG2 4.32Å; L27-L35 HydrophobicContact CD1-CD1 3.91Å; L27-L35 HydrophobicContact CD2-CD1 4.48Å; L27-L228 HydrophobicContact CD1-CD1 3.37Å; L27-L228 HydrophobicContact CD1-CG 4.26Å
28S75.2Confident78.2Confident53 Ų5391.8 Ų91.837%0.37146%0.456SS..  trans-67.2153.6171.4690000111E30 E31 V32S28-E30 PolarHBondContact O-N 3.31Å; S28-E31 WeakPolarHBondContact CB-OE2 3.38Å; S28-E31 PolarHBondContact N-OE2 2.8Å; S28-E31 PolarHBondContact O-N 3.16Å; S28-E31 WeakPolarHBondContact OG-CG 3.31Å; S28-E31 PolarHBondContact OG-N 2.94Å; S28-E31 PolarHBondContact OG-OE2 3.11Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.32Å
29K76Confident78Confident180 Ų18093.3 Ų93.378%0.78347%0.469SS*.Hα-helixtrans-56.2-24.3177.1-68.8-178.9-179174.60113.2K33K29-K33 WeakPolarHBondContact O-CD 3.31Å; K29-K33 VanDerWaalsContact O-CG 3.25Å; K29-K33 WeakPolarHBondContact O-CG 3.27Å; K29-K33 PolarHBondContact O-N 3.2Å
30E75.8Confident78Confident162 Ų16295.7 Ų95.776%0.75748%0.479SS*.Hα-helixtrans-79.7-41178.6-62.2-174.2175.300111.7S28 K33 R34S28-E30 PolarHBondContact O-N 3.31Å; E30-K33 PolarHBondContact O-N 2.88Å; E30-R34 PolarHBondContact O-N 3.35Å
31E76Confident77.9Confident84 Ų8495.6 Ų95.639%0.39348%0.478SS..Hα-helixtrans-66.2-43.4175.2-72.9159.6150.800111.6L27 S28 K33 R34 L35L27-E31 HydrophobicContact CD2-CB 4.27Å; S28-E31 WeakPolarHBondContact CB-OE2 3.38Å; S28-E31 PolarHBondContact N-OE2 2.8Å; S28-E31 PolarHBondContact O-N 3.16Å; S28-E31 WeakPolarHBondContact OG-CG 3.31Å; S28-E31 PolarHBondContact OG-N 2.94Å; S28-E31 PolarHBondContact OG-OE2 3.11Å; E31-K33 VanDerWaalsContact C-N 3.28Å; E31-K33 PolarHBondContact O-N 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.18Å; E31-R34 PolarHBondContact O-N 3.19Å; E31-L35 WeakPolarHBondContact O-CG 3.38Å; E31-L35 PolarHBondContact O-N 2.71Å
32V76.7Confident77.7Confident59 Ų5997 Ų9736%0.35848%0.478SS..Hα-helixtrans-57.1-44.2174.2175.60000110.7L27 S28 R34 L35 I36L27-V32 HydrophobicContact CB-CG2 3.66Å; L27-V32 HydrophobicContact CD1-CG2 4.32Å; S28-V32 WeakPolarHBondContact O-CG2 3.4Å; S28-V32 PolarHBondContact O-N 3.32Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.25Å; V32-L35 PolarHBondContact O-N 2.92Å; V32-I36 HydrophobicContact CG1-CD1 3.71Å; V32-I36 HydrophobicContact CG1-CG1 4.38Å; V32-I36 WeakPolarHBondContact O-CB 3.37Å; V32-I36 WeakPolarHBondContact O-CD1 3.49Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 2.7Å
33K75.9Confident77.3Confident149 Ų149101.7 Ų101.765%0.64850%0.501SS*.Hα-helixtrans-62.5-39.5176-77.6173.7-176.51790112.3K29 E30 E31 A37K29-K33 WeakPolarHBondContact O-CD 3.31Å; K29-K33 VanDerWaalsContact O-CG 3.25Å; K29-K33 WeakPolarHBondContact O-CG 3.27Å; K29-K33 PolarHBondContact O-N 3.2Å; E30-K33 PolarHBondContact O-N 2.88Å; E31-K33 VanDerWaalsContact C-N 3.28Å; E31-K33 PolarHBondContact O-N 3.35Å; K33-A37 WeakPolarHBondContact O-CB 3.12Å; K33-A37 PolarHBondContact O-N 3.28Å
34R82.7Confident76.8Confident164 Ų164103.7 Ų103.762%0.61951%0.508SS*.Hα-helixtrans-64.3-46.9177.2-165.2-174.684.6-155.33.3111.2E30 E31 V32 I36 A37 E38E30-R34 PolarHBondContact O-N 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.18Å; E31-R34 PolarHBondContact O-N 3.19Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.25Å; R34-I36 PolarHBondContact O-N 3.5Å; R34-A37 WeakPolarHBondContact O-CB 3.08Å; R34-A37 PolarHBondContact O-N 2.68Å; R34-E38 PolarHBondContact O-N 2.69Å
35L79.2Confident76.2Confident42 Ų42105.2 Ų105.222%0.2252%0.517CS..Hα-helixtrans-62-43178.2-69.6171.4000111.6L27 E31 V32 A37 E38 A39 L228L27-L35 HydrophobicContact CD1-CD1 3.91Å; L27-L35 HydrophobicContact CD2-CD1 4.48Å; E31-L35 WeakPolarHBondContact O-CG 3.38Å; E31-L35 PolarHBondContact O-N 2.71Å; V32-L35 PolarHBondContact O-N 2.92Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.33Å; L35-E38 PolarHBondContact O-N 2.85Å; L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.14Å; L35-L228 HydrophobicContact CD1-CD1 3.98Å
36I82.1Confident75.1Confident105 Ų105110.2 Ų110.254%0.53854%0.536SS..Hα-helixtrans-62-41.8175.1-68.3166.4000111V32 R34 K40V32-I36 HydrophobicContact CG1-CD1 3.71Å; V32-I36 HydrophobicContact CG1-CG1 4.38Å; V32-I36 WeakPolarHBondContact O-CB 3.37Å; V32-I36 WeakPolarHBondContact O-CD1 3.49Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 2.7Å; R34-I36 PolarHBondContact O-N 3.5Å; I36-K40 VanDerWaalsContact O-CB 3.26Å; I36-K40 WeakPolarHBondContact O-CB 3.28Å; I36-K40 PolarHBondContact O-N 3.37Å
37A77.9Confident74Confident59 Ų59105.1 Ų105.149%0.48853%0.527SS..Hα-helixtrans-64.2-45178.100000111.7K33 R34 L35 K40 E41K33-A37 WeakPolarHBondContact O-CB 3.12Å; K33-A37 PolarHBondContact O-N 3.28Å; R34-A37 WeakPolarHBondContact O-CB 3.08Å; R34-A37 PolarHBondContact O-N 2.68Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.33Å; A37-K40 PolarHBondContact O-N 2.68Å; A37-E41 PolarHBondContact O-N 3.31Å
38E81.8Confident72.5Confident68 Ų68105.9 Ų105.932%0.31855%0.55SS.*Hα-helixtrans-65.3-43.4177.6-171.1-175.7155.300112.1R34 L35 K40 E41 K42R34-E38 PolarHBondContact O-N 2.69Å; L35-E38 PolarHBondContact O-N 2.85Å; E38-K40 VanDerWaalsContact C-N 3.3Å; E38-K40 PolarHBondContact O-N 3.29Å; E38-E41 PolarHBondContact O-N 3.26Å; E38-K42 HydrophobicContact CG-CD 4.46Å; E38-K42 PolarHBondContact O-N 2.88Å; E38-K42 WeakPolarHBondContact OE1-CE 3.35Å; E38-K42 IonicContact OE1-NZ 2.66Å; E38-K42 PolarHBondContact OE1-NZ 3.13Å
39A78.4Confident70.9Confident50 Ų50106.6 Ų106.641%0.41357%0.566SS.*Hα-helixtrans-61.6-40.4174.900000111.4L35 K42 L43L35-A39 VanDerWaalsContact O-CB 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.14Å; A39-K42 PolarHBondContact O-N 3.17Å; A39-L43 WeakPolarHBondContact O-CB 3.48Å; A39-L43 VanDerWaalsContact O-CG 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.44Å; A39-L43 PolarHBondContact O-N 3.19Å
40K79.8Confident68.8Low128 Ų128103.4 Ų103.456%0.55757%0.566SS**Hα-helixtrans-64.8-39.6175.7-173.6178.3179.7-179.10112I36 A37 E38 L43 Q44I36-K40 VanDerWaalsContact O-CB 3.26Å; I36-K40 WeakPolarHBondContact O-CB 3.28Å; I36-K40 PolarHBondContact O-N 3.37Å; A37-K40 PolarHBondContact O-N 2.68Å; E38-K40 VanDerWaalsContact C-N 3.3Å; E38-K40 PolarHBondContact O-N 3.29Å; K40-L43 PolarHBondContact O-N 3.06Å; K40-Q44 VanDerWaalsContact O-CG 3.32Å; K40-Q44 WeakPolarHBondContact O-CG 3.38Å; K40-Q44 PolarHBondContact O-N 3.13Å
41E80.7Confident67Low115 Ų115103.2 Ų103.254%0.53757%0.571SS.*Hα-helixtrans-64.3-48175.6-173.7173.6-168.100111.2A37 E38 L43 Q44 E45A37-E41 PolarHBondContact O-N 3.31Å; E38-E41 PolarHBondContact O-N 3.26Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.3Å; E41-Q44 WeakPolarHBondContact O-CB 3.45Å; E41-Q44 PolarHBondContact O-N 3.42Å; E41-E45 WeakPolarHBondContact O-CG 3.44Å; E41-E45 PolarHBondContact O-N 2.92Å
42K75.1Confident64.9Low105 Ų105108.7 Ų108.746%0.45760%0.596SS.*Hα-helixtrans-56.5-44.1174.9-76.6169.5171.4161.60112.2E38 A39 Q44 E45 E46E38-K42 HydrophobicContact CG-CD 4.46Å; E38-K42 PolarHBondContact O-N 2.88Å; E38-K42 WeakPolarHBondContact OE1-CE 3.35Å; E38-K42 IonicContact OE1-NZ 2.66Å; E38-K42 PolarHBondContact OE1-NZ 3.13Å; A39-K42 PolarHBondContact O-N 3.17Å; K42-Q44 VanDerWaalsContact C-N 3.34Å; K42-Q44 PolarHBondContact O-N 3.22Å; K42-E45 PolarHBondContact O-N 3.36Å; K42-E46 WeakPolarHBondContact O-CG 3.31Å; K42-E46 PolarHBondContact O-N 3.18Å
43L74.5Confident62.9Low119 Ų119113.8 Ų113.862%0.62362%0.616SS**Hα-helixtrans-64.9-35.8175.7-72.8169.8000112.7A39 K40 E41 G47A39-L43 WeakPolarHBondContact O-CB 3.48Å; A39-L43 VanDerWaalsContact O-CG 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.44Å; A39-L43 PolarHBondContact O-N 3.19Å; K40-L43 PolarHBondContact O-N 3.06Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.3Å; L43-G47 PolarHBondContact O-N 3.29Å
44Q70.2Confident60.6Low130 Ų130116 Ų11661%0.60763%0.629SS**Hα-helixtrans-69.3-36.6175.2-76.8179-400112.2K40 E41 K42K40-Q44 VanDerWaalsContact O-CG 3.32Å; K40-Q44 WeakPolarHBondContact O-CG 3.38Å; K40-Q44 PolarHBondContact O-N 3.13Å; E41-Q44 WeakPolarHBondContact O-CB 3.45Å; E41-Q44 PolarHBondContact O-N 3.42Å; K42-Q44 VanDerWaalsContact C-N 3.34Å; K42-Q44 PolarHBondContact O-N 3.22Å
45E63.5Low58.2Low148 Ų148114.1 Ų114.169%0.69264%0.636SS**Hα-helixtrans-68.7-36.6174.8-69.5-167.9154.800112.6E41 K42E41-E45 WeakPolarHBondContact O-CG 3.44Å; E41-E45 PolarHBondContact O-N 2.92Å; K42-E45 PolarHBondContact O-N 3.36Å
46E54.8Low55.7Low168 Ų168115.9 Ų115.979%0.78566%0.664SS**Hα-helixtrans-77.9-24.9176.6-70.1-173.7164.300113.3K42K42-E46 WeakPolarHBondContact O-CG 3.31Å; K42-E46 PolarHBondContact O-N 3.18Å
47G47Very low53.3Low55 Ų55116.5 Ų116.557%0.56768%0.678SS**THydrogen-bonded Turntrans-872-178.500000116.7L43 G49L43-G47 PolarHBondContact O-N 3.29Å; G47-G49 PolarHBondContact O-N 3.12Å
48G38.2Very low51.3Low80 Ų80119.7 Ų119.783%0.82569%0.693SS**  trans-73.543.9-175.400000115.9
49G42.8Very low48.6Very low69 Ų69122.2 Ų122.271%0.71172%0.718SS**SBendtrans-143.631.7-167.400000116.5G47G47-G49 PolarHBondContact O-N 3.12Å
50S30.8Very low46.3Very low112 Ų112128.5 Ų128.578%0.78374%0.739SS**  trans-172.496.5152.255.10000110.1
51D37.9Very low43.8Very low159 Ų159130.4 Ų130.485%0.8576%0.756SS**  trans-77.6124.2158.6-75.9-34.2000108
52E33.3Very low41.3Very low198 Ų198128.3 Ų128.393%0.92577%0.765SS**  -128.9124.3128.1-79.7-163.7171.400108.1
53E33.4Very low39Very low167 Ų167131.9 Ų131.978%0.7879%0.786SS**  trans-63.4137.6-179.1-55.2-178.1158.800111.1
54E29.2Very low36.7Very low196 Ų196135 Ų13592%0.91680%0.797SS**  trans-132.8107.1132.5-138.7-176.4-164.300109.4
55T30.8Very low34.7Very low123 Ų123134.3 Ų134.376%0.75581%0.806SS**  trans-70.3128.4178.249.90000111.4
56G27.2Very low33Very low79 Ų79131.8 Ų131.881%0.81481%0.811SS**  trans-153.189.4163.800000110.3
57S30.9Very low31.7Very low119 Ų119135.7 Ų135.783%0.83282%0.818SS**  trans-71.7165.1-178.152.70000113.8
58P36.4Very low30.6Very low125 Ų125138.1 Ų138.181%0.81282%0.823SS**  trans-99.3159.2-14938-33.3000114.5
59S26.4Very low30Very low121 Ų121142.7 Ų142.785%0.84682%0.822SS**  trans-123.2116.4160.758.90000110.1
60E28.7Very low29.2Very low182 Ų182144.3 Ų144.385%0.8583%0.829SS**  trans-69131.8168.2-63.9178.2136.600110.2
61D27.2Very low28.9Very low168 Ų168150 Ų15090%0.89883%0.833SS**  trans-170.5119.9132.2-101-26.7000111.6
62G27.8Very low28.5Very low72 Ų72148.2 Ų148.274%0.74283%0.831SS**  trans7082.2132.800000120.7
63M27.1Very low28.1Very low180 Ų180150.5 Ų150.589%0.88783%0.831SS**  21.2112.4129.2-153.681.516400118.4
64Q26.6Very low27.8Very low184 Ų184151.3 Ų151.386%0.8684%0.835SS**  178.5149.4118.4-96.7172.416.700112.9
65S29.6Very low27.9Very low115 Ų115147 Ų14780%0.80482%0.823SS**  trans-46.3136.1-176.755.40000116.4
66A26.4Very low27.8Very low95 Ų95149.8 Ų149.879%0.78583%0.833SS**  trans-159.3122.3147.400000112.4
67R27.6Very low28Very low250 Ų250154 Ų15494%0.94383%0.832SS**  trans-69.1126.4162.4-178.9-174.7-171-175.83108.8
68T24.8Very low27.9Very low107 Ų107155.5 Ų155.566%0.65683%0.83SS**  trans-164.4110.6161.8-8.70000109.9
69Q25.9Very low27.5Very low175 Ų175153.4 Ų153.482%0.81883%0.831SS**  64.2113.7106.2-64.1-177.34.900115
70A24.4Very low27.6Very low103 Ų103154.8 Ų154.885%0.85183%0.829SS**  trans-81.4140.216300000110.8
71R24.6Very low28.4Very low231 Ų231150.6 Ų150.687%0.87282%0.818SS**  trans-148.7164159.6-84-169.5175.9-162.6-1.4106.8
72P29.5Very low28.7Very low123 Ų123151.6 Ų151.680%0.79982%0.817SS**  cis-127.2173-42.231.9-14.2000110.7
73R26.3Very low28.9Very low245 Ų245155.3 Ų155.393%0.92582%0.82SS**  trans-122.8135.8169.3-113.2-176.5178.3171.1-0.5109.5
74E26.2Very low29.2Very low184 Ų184153 Ų15386%0.8681%0.811SS**  trans-146.5164.6163.7-77.4-159.6-177.500108.1
75P31.5Very low29.8Very low105 Ų105154.3 Ų154.368%0.68281%0.808SS**  -131170.7-59.632.3-13.7000111.3
76L29.5Very low30.5Very low183 Ų183153.8 Ų153.896%0.95880%0.8SS**  trans-125.5125.3161.5-78.5171.3000108.6
77E29.7Very low31.2Very low168 Ų168155.4 Ų155.479%0.78580%0.795SS**  trans-97.8150.4-174.3-113.1174.4171.300112.5
78D29.8Very low32.1Very low149 Ų149149 Ų14980%0.79778%0.78SS**  trans85.5118.7143.6-65.7-15.4000123.9
79G27.1Very low33.3Very low81 Ų81153 Ų15384%0.83579%0.791SS**  trans-177.171.8162.700000111.6
80D30.5Very low34.7Very low151 Ų151151.1 Ų151.181%0.80779%0.787SS**  trans-73.4-178.4179.7-142.714.1000113.8
81P45.2Very low36.1Very low93 Ų93150.9 Ų150.960%0.60477%0.768SS**  cis-133.2-176.6-25.917.58.4000114.5
82E32.3Very low37.4Very low189 Ų189146.5 Ų146.588%0.88376%0.761SS**  trans98.894.6157.1-52.1-160.317800118.5
83D31.9Very low38.7Very low150 Ų150144.1 Ų144.180%0.80275%0.752SS**  -174129.291.8-159.66000109.3
84D34.5Very low40Very low133 Ų133139.7 Ų139.771%0.71174%0.741SS**  trans-95.5110.2-171-17816.3000109.1
85R38.1Very low41.3Very low210 Ų210139 Ų13979%0.79273%0.732SS**  trans-138.898.9152.4-67.5-169-155.9176.89.6109.4L87R85-L87 PolarHBondContact O-N 3.34Å
86T45.3Very low42.2Very low104 Ų104138.4 Ų138.464%0.63872%0.723SS**  trans-36.2114.4148.648.30000110.9
87L40.9Very low43.7Very low130 Ų130135.1 Ų135.168%0.68171%0.706SS**  trans-92.7111.1155.7-62.7172.7000105.4R85 E91R85-L87 PolarHBondContact O-N 3.34Å; L87-E91 WeakPolarHBondContact CD1-OE2 3.15Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.46Å
88D45.7Very low45.1Very low116 Ų116135.1 Ų135.162%0.6271%0.711SS**  trans-57.6149.1179.7-66.1-56.9000110.3D90 E91D88-D90 PolarHBondContact O-N 2.71Å; D88-E91 PolarHBondContact O-N 3.17Å; D88-E91 VanDerWaalsContact O-N 3.08Å
89E49.7Very low46.3Very low189 Ų189133 Ų13388%0.88370%0.695SS**THydrogen-bonded Turntrans-55.2-7.7175.9-71.5177148.100113.9
90D55.7Low47.6Very low137 Ų137138 Ų13873%0.73369%0.69SS**THydrogen-bonded Turntrans-77.1-15.6174.9-81.8-21.5000114.4D88D88-D90 PolarHBondContact O-N 2.71Å
91E53.5Low48.9Very low98 Ų98138.5 Ų138.546%0.45869%0.693SS.*SBendtrans-84.6-21.1-177.5-134.3179.5-149.800113.4L87 D88 Y95L87-E91 WeakPolarHBondContact CD1-OE2 3.15Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.46Å; D88-E91 PolarHBondContact O-N 3.17Å; D88-E91 VanDerWaalsContact O-N 3.08Å; E91-Y95 WeakPolarHBondContact O-CD2 3.41Å
92L53.1Low49.5Very low139 Ų139141 Ų14173%0.72870%0.696SS**SBendtrans-80.7-19.2171.1-94.9129.1000112.8E94L92-E94 VanDerWaalsContact C-N 3.3Å
93A55.7Low50.4Low73 Ų73140.3 Ų140.360%0.60369%0.693SS**G310 helixtrans-78.7-13.917400000112.8Y95A93-Y95 PolarHBondContact O-N 3.37Å
94E53.6Low51.4Low152 Ų152141.1 Ų141.171%0.7170%0.697SS**G310 helixtrans-71.2-18.5176.1-165.5170.1-164.800112.6L92L92-E94 VanDerWaalsContact C-N 3.3Å
95Y53.5Low52.1Low169 Ų169139.1 Ų139.166%0.66369%0.687SS**G310 helixtrans-95.64.6-175.5-68.8-82.7000115.2E91 A93 L97E91-Y95 WeakPolarHBondContact O-CD2 3.41Å; A93-Y95 PolarHBondContact O-N 3.37Å; Y95-L97 PolarHBondContact O-N 2.97Å
96D52.1Low52.7Low93 Ų93134.4 Ų134.450%0.49768%0.684SS.*  trans32.442.8174.6-143.83.5000114.8D98 K99D96-D98 PolarHBondContact O-N 3.26Å; D96-K99 PolarHBondContact O-N 3.2Å; D96-K99 VanDerWaalsContact O-N 3.08Å
97L59.3Low52.8Low113 Ų113134.7 Ų134.759%0.59268%0.681SS**G310 helixtrans-67.4-20.4-173.6-83.8159.7000112.9Y95 K99 Y100Y95-L97 PolarHBondContact O-N 2.97Å; L97-K99 PolarHBondContact O-N 3.45Å; L97-Y100 WeakPolarHBondContact O-CB 3.42Å; L97-Y100 PolarHBondContact O-N 3.43Å
98D59.3Low53.2Low168 Ų168131 Ų13190%0.89867%0.67SS**G310 helixtrans-77-11.6176.9-66.1-23.6000112.4D96D96-D98 PolarHBondContact O-N 3.26Å
99K56Low53.4Low105 Ų105133.5 Ų133.546%0.45768%0.677SS.*G310 helixtrans-113.215.3174.2-70.6-168-174.8167.30113.7D96 L97 D101 E102D96-K99 PolarHBondContact O-N 3.2Å; D96-K99 VanDerWaalsContact O-N 3.08Å; L97-K99 PolarHBondContact O-N 3.45Å; K99-D101 PolarHBondContact O-N 3.2Å; K99-D101 VanDerWaalsContact O-N 3.11Å; K99-E102 HydrophobicContact CB-CB 4.37Å; K99-E102 PolarHBondContact O-N 2.63Å
100Y53.8Low53.4Low185 Ų185128.5 Ų128.573%0.72566%0.66SS**THydrogen-bonded Turntrans-60.4-22.7177.9-159.9-101.1000113L97L97-Y100 WeakPolarHBondContact O-CB 3.42Å; L97-Y100 PolarHBondContact O-N 3.43Å
101D57Low53.1Low163 Ų163127.6 Ų127.687%0.87266%0.655SS**THydrogen-bonded Turntrans-92.4-1.6174.5-70-15000113.8K99K99-D101 PolarHBondContact O-N 3.2Å; K99-D101 VanDerWaalsContact O-N 3.11Å
102E58Low52.9Low145 Ų145124.7 Ų124.768%0.67865%0.65SS**  trans-113.39.2-174.6-69.6-168.2166.800114.5K99 D104K99-E102 HydrophobicContact CB-CB 4.37Å; K99-E102 PolarHBondContact O-N 2.63Å; E102-D104 PolarHBondContact O-N 2.76Å
103E52.1Low52.9Low174 Ų174125 Ų12581%0.81365%0.648SS**  trans-81.797.6167.5-72.2-164.6161.200110.6D105E103-D105 PolarHBondContact O-N 3.33Å
104D52.9Low52.6Low167 Ų167125.8 Ų125.889%0.89365%0.649SS**  trans-65.685.4160.3-89.3-42.2000108.7E102 P106E102-D104 PolarHBondContact O-N 2.76Å; D104-P106 VanDerWaalsContact O-CD 3.31Å; D104-P106 WeakPolarHBondContact O-CD 2.98Å
105D48.7Very low52.5Low91 Ų91123.4 Ų123.449%0.48764%0.641SS.*  trans-68.2115.7167.1-173.3-3.3000108.6E103 D107 A108E103-D105 PolarHBondContact O-N 3.33Å; D105-D107 PolarHBondContact O-N 2.74Å; D105-D107 PolarHBondContact OD1-N 3.44Å; D105-D107 VanDerWaalsContact OD1-N 3.16Å; D105-A108 HydrophobicContact CB-CB 4.23Å; D105-A108 VanDerWaalsContact O-CB 3.23Å; D105-A108 WeakPolarHBondContact O-CB 3.39Å; D105-A108 PolarHBondContact O-N 2.98Å
106P51.9Low52.3Low112 Ų112122.4 Ų122.473%0.72765%0.646SS**THydrogen-bonded Turntrans-65.3-7.8179.926.3-33.3000113.6D104D104-P106 VanDerWaalsContact O-CD 3.31Å; D104-P106 WeakPolarHBondContact O-CD 2.98Å
107D46.3Very low52.4Low110 Ų110121.1 Ų121.159%0.58866%0.655SS**THydrogen-bonded Turntrans-98.31171.4-71.8-37.9000113.5D105 E109 T110D105-D107 PolarHBondContact O-N 2.74Å; D105-D107 PolarHBondContact OD1-N 3.44Å; D105-D107 VanDerWaalsContact OD1-N 3.16Å; D107-E109 VanDerWaalsContact C-N 3.25Å; D107-E109 PolarHBondContact O-N 3.05Å; D107-T110 PolarHBondContact O-N 3.34Å; D107-T110 PolarHBondContact O-OG1 3Å
108A49.4Very low52.1Low53 Ų53121.1 Ų121.144%0.43866%0.655SS.*Hα-helixtrans-67.5-23173.600000113.2D105 T110 L111 G112D105-A108 HydrophobicContact CB-CB 4.23Å; D105-A108 VanDerWaalsContact O-CB 3.23Å; D105-A108 WeakPolarHBondContact O-CB 3.39Å; D105-A108 PolarHBondContact O-N 2.98Å; A108-T110 PolarHBondContact O-N 2.88Å; A108-L111 PolarHBondContact O-N 3.32Å; A108-G112 PolarHBondContact O-N 2.94Å; A108-G112 VanDerWaalsContact O-N 3.12Å
109E49Very low52.2Low167 Ų167117.1 Ų117.178%0.7864%0.637SS**Hα-helixtrans-64.6-28172.9-67-143.7155.100112D107 E113D107-E109 VanDerWaalsContact C-N 3.25Å; D107-E109 PolarHBondContact O-N 3.05Å; E109-E113 WeakPolarHBondContact O-CG 2.93Å; E109-E113 PolarHBondContact O-N 3.03Å; E109-E113 VanDerWaalsContact O-N 3.16Å
110T49.7Very low52.4Low84 Ų84118.4 Ų118.452%0.51565%0.653SS.*Hα-helixtrans-80-25.3176.314.20000114.4D107 A108 S114D107-T110 PolarHBondContact O-N 3.34Å; D107-T110 PolarHBondContact O-OG1 3Å; A108-T110 PolarHBondContact O-N 2.88Å; T110-S114 WeakPolarHBondContact O-CB 3.43Å; T110-S114 PolarHBondContact O-N 3.07Å
111L49.5Very low53Low119 Ų119112.8 Ų112.862%0.62363%0.631SS**Hα-helixtrans-77-36.3172.4-103142.8000111.2A108 S114 L115A108-L111 PolarHBondContact O-N 3.32Å; L111-S114 PolarHBondContact O-N 3.14Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 PolarHBondContact O-N 3Å
112G49.3Very low53.4Low36 Ų36108.7 Ų108.737%0.37163%0.627SS.*Hα-helixtrans-61.9-43.1170.900000113A108 L115 L116A108-G112 PolarHBondContact O-N 2.94Å; A108-G112 VanDerWaalsContact O-N 3.12Å; G112-L115 PolarHBondContact O-N 2.94Å; G112-L116 WeakPolarHBondContact O-CB 3.49Å; G112-L116 WeakPolarHBondContact O-CD1 3.35Å; G112-L116 WeakPolarHBondContact O-CG 3.44Å; G112-L116 PolarHBondContact O-N 3.37Å
113E53.3Low53.7Low147 Ų147103.9 Ų103.969%0.68761%0.61SS**Hα-helixtrans-68.4-31.7175.4-74.9-167.1157.200113.4E109E109-E113 WeakPolarHBondContact O-CG 2.93Å; E109-E113 PolarHBondContact O-N 3.03Å; E109-E113 VanDerWaalsContact O-N 3.16Å
114S50.7Low54.4Low89 Ų89100.2 Ų100.262%0.62260%0.596SS**Hα-helixtrans-73.4-33.2173.6-167.30000112.4T110 L111T110-S114 WeakPolarHBondContact O-CB 3.43Å; T110-S114 PolarHBondContact O-N 3.07Å; L111-S114 PolarHBondContact O-N 3.14Å
115L50.7Low55.2Low102 Ų10297.1 Ų97.153%0.53458%0.579SS.*Hα-helixtrans-80.1-21.8173.6-12185.1000113.7L111 G112 G117 L118L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 PolarHBondContact O-N 3Å; G112-L115 PolarHBondContact O-N 2.94Å; L115-G117 PolarHBondContact O-N 3.06Å; L115-L118 HydrophobicContact CD1-CD1 3.93Å; L115-L118 HydrophobicContact CG-CD1 3.92Å; L115-L118 WeakPolarHBondContact O-CB 3.42Å; L115-L118 PolarHBondContact O-N 3.26Å
116L50.1Low56Low147 Ų14798.9 Ų98.977%0.7758%0.584SS**THydrogen-bonded Turntrans-64.6-16.4175.1-93.6154.2000113.2G112G112-L116 WeakPolarHBondContact O-CB 3.49Å; G112-L116 WeakPolarHBondContact O-CD1 3.35Å; G112-L116 WeakPolarHBondContact O-CG 3.44Å; G112-L116 PolarHBondContact O-N 3.37Å
117G53.4Low57Low66 Ų6695.4 Ų95.468%0.6856%0.56SS**THydrogen-bonded Turntrans-88.1-12.3169.600000114.6L115 T119L115-G117 PolarHBondContact O-N 3.06Å; G117-T119 PolarHBondContact O-N 3.04Å
118L53.8Low58.1Low113 Ų11394.7 Ų94.759%0.59256%0.561SS**SBendtrans-83.9100.5173.6-82.2154.3000108.1L115 V120L115-L118 HydrophobicContact CD1-CD1 3.93Å; L115-L118 HydrophobicContact CG-CD1 3.92Å; L115-L118 WeakPolarHBondContact O-CB 3.42Å; L115-L118 PolarHBondContact O-N 3.26Å; L118-V120 PolarHBondContact O-N 2.88Å
119T60.4Low58.8Low85 Ų85101.2 Ų101.252%0.52158%0.576SS.*  trans-58.9105.9167.443.40000108.9G117 Y121G117-T119 PolarHBondContact O-N 3.04Å; T119-Y121 WeakPolarHBondContact CB-OH 3.49Å; T119-Y121 VanDerWaalsContact O-CD2 3.31Å; T119-Y121 WeakPolarHBondContact O-CD2 3.4Å; T119-Y121 VanDerWaalsContact O-CE2 3.27Å; T119-Y121 WeakPolarHBondContact O-CE2 3.47Å; T119-Y121 VanDerWaalsContact OG1-CE2 3.31Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.41Å; T119-Y121 PolarHBondContact OG1-OH 2.88Å
120V60.5Low59.6Low132 Ų13295.2 Ų95.280%0.855%0.551SS**  trans-85.8118.4171.9-177.90000107.9L118L118-V120 PolarHBondContact O-N 2.88Å
121Y66.3Low60.2Low66 Ų6697 Ų9726%0.25956%0.561SS.*  trans-93.6136.2178.1-58.5-80.3000109.6T119 S123 Q126 D127 P128T119-Y121 WeakPolarHBondContact CB-OH 3.49Å; T119-Y121 VanDerWaalsContact O-CD2 3.31Å; T119-Y121 WeakPolarHBondContact O-CD2 3.4Å; T119-Y121 VanDerWaalsContact O-CE2 3.27Å; T119-Y121 WeakPolarHBondContact O-CE2 3.47Å; T119-Y121 VanDerWaalsContact OG1-CE2 3.31Å; T119-Y121 WeakPolarHBondContact OG1-CE2 3.41Å; T119-Y121 PolarHBondContact OG1-OH 2.88Å; Y121-S123 PolarHBondContact O-N 2.97Å; Y121-Q126 HydrophobicContact CD1-CB 4.29Å; Y121-Q126 WeakPolarHBondContact CD1-O 3.47Å; Y121-Q126 VanDerWaalsContact CE1-O 3.27Å; Y121-Q126 WeakPolarHBondContact CE1-O 3.25Å; Y121-D127 HydrophobicContact CD1-CB 4.49Å; Y121-D127 VanDerWaalsContact CD2-CA 3.47Å; Y121-D127 HydrophobicContact CD2-CB 3.37Å; Y121-D127 WeakPolarHBondContact CD2-OD1 3.49Å; Y121-D127 VanDerWaalsContact CD2-OD2 3.3Å; Y121-D127 WeakPolarHBondContact CD2-OD2 3.39Å; Y121-D127 HydrophobicContact CE2-CB 4.03Å; Y121-D127 VanDerWaalsContact CE2-CG 3.45Å; Y121-D127 VanDerWaalsContact CE2-OD1 3.23Å; Y121-D127 WeakPolarHBondContact CE2-OD1 3.48Å; Y121-D127 VanDerWaalsContact CG-CA 3.41Å; Y121-D127 HydrophobicContact CG-CB 3.62Å; Y121-P128 VanDerWaalsContact CE1-CD 3.42Å; Y121-P128 HydrophobicContact CE1-CG 4.19Å; Y121-P128 WeakPolarHBondContact OH-CD 3.21Å
122G64.4Low60.6Low77 Ų7792.8 Ų92.879%0.79454%0.539SS*.SBendtrans-72.1-6.4-175.900000114.7
123S65Low61.1Low45 Ų4596.5 Ų96.532%0.31555%0.545SS..SBendtrans-164.3152.4178.255.10000108.9Y121 D125 Q126Y121-S123 PolarHBondContact O-N 2.97Å; S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 VanDerWaalsContact O-N 3.1Å; S123-Q126 PolarHBondContact O-N 3.02Å
124N68.1Low61.5Low97 Ų9793.2 Ų93.252%0.51953%0.532SS..G310 helixtrans-52.9-31.4176.2-75.225.9000112.7Q126 D127 V130N124-Q126 PolarHBondContact O-N 3.36Å; N124-D127 PolarHBondContact O-N 3.19Å; N124-V130 HydrophobicContact CB-CG1 3.98Å
125D67.9Low61.9Low101 Ų10194 Ų9454%0.5453%0.534SS..G310 helixtrans-61.9-26.6177.6-76.5-48.4000115S123S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 VanDerWaalsContact O-N 3.1Å
126Q66.1Low62.4Low128 Ų12894.2 Ų94.260%0.59853%0.532SS*.G310 helixtrans-98-9.6-174.6-67-178.37.400112.5Y121 S123 N124 P128Y121-Q126 HydrophobicContact CD1-CB 4.29Å; Y121-Q126 WeakPolarHBondContact CD1-O 3.47Å; Y121-Q126 VanDerWaalsContact CE1-O 3.27Å; Y121-Q126 WeakPolarHBondContact CE1-O 3.25Å; S123-Q126 PolarHBondContact O-N 3.02Å; N124-Q126 PolarHBondContact O-N 3.36Å; Q126-P128 WeakPolarHBondContact O-CD 3.43Å
127D74Confident62.7Low40 Ų4090.4 Ų90.421%0.21451%0.51CS..  trans-86.2112.1179.2-168.1-23.1000111.1Y121 N124 Y129 V130Y121-D127 HydrophobicContact CD1-CB 4.49Å; Y121-D127 VanDerWaalsContact CD2-CA 3.47Å; Y121-D127 HydrophobicContact CD2-CB 3.37Å; Y121-D127 WeakPolarHBondContact CD2-OD1 3.49Å; Y121-D127 VanDerWaalsContact CD2-OD2 3.3Å; Y121-D127 WeakPolarHBondContact CD2-OD2 3.39Å; Y121-D127 HydrophobicContact CE2-CB 4.03Å; Y121-D127 VanDerWaalsContact CE2-CG 3.45Å; Y121-D127 VanDerWaalsContact CE2-OD1 3.23Å; Y121-D127 WeakPolarHBondContact CE2-OD1 3.48Å; Y121-D127 VanDerWaalsContact CG-CA 3.41Å; Y121-D127 HydrophobicContact CG-CB 3.62Å; N124-D127 PolarHBondContact O-N 3.19Å; D127-Y129 PolarHBondContact O-N 3.05Å; D127-Y129 WeakPolarHBondContact OD1-CA 3.33Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.47Å; D127-Y129 PolarHBondContact OD1-N 3.15Å; D127-V130 HydrophobicContact CB-CB 3.89Å; D127-V130 HydrophobicContact CB-CG2 3.68Å; D127-V130 PolarHBondContact O-N 2.7Å; D127-V130 PolarHBondContact OD1-N 2.92Å; D127-V130 WeakPolarHBondContact OD2-CG2 3.37Å
128P68.1Low62.9Low95 Ų9593.1 Ų93.162%0.61750%0.501SS*.THydrogen-bonded Turntrans-64.7-16.4177.2-17.331.5000114Y121 Q126Y121-P128 VanDerWaalsContact CE1-CD 3.42Å; Y121-P128 HydrophobicContact CE1-CG 4.19Å; Y121-P128 WeakPolarHBondContact OH-CD 3.21Å; Q126-P128 WeakPolarHBondContact O-CD 3.43Å
129Y64.4Low63.3Low190 Ų19093.4 Ų93.475%0.74550%0.499SS*.THydrogen-bonded Turntrans-96-15.1178.5-58.3-75000112.5D127 T131D127-Y129 PolarHBondContact O-N 3.05Å; D127-Y129 WeakPolarHBondContact OD1-CA 3.33Å; D127-Y129 WeakPolarHBondContact OD1-CB 3.47Å; D127-Y129 PolarHBondContact OD1-N 3.15Å; Y129-T131 PolarHBondContact O-N 3.48Å
130V64.9Low63.6Low41 Ų4197.2 Ų97.225%0.24850%0.504CS..  trans-84.1100.6168.5176.50000108.3N124 D127 L132N124-V130 HydrophobicContact CB-CG1 3.98Å; D127-V130 HydrophobicContact CB-CB 3.89Å; D127-V130 HydrophobicContact CB-CG2 3.68Å; D127-V130 PolarHBondContact O-N 2.7Å; D127-V130 PolarHBondContact OD1-N 2.92Å; D127-V130 WeakPolarHBondContact OD2-CG2 3.37Å; V130-L132 WeakPolarHBondContact CG1-O 3.42Å; V130-L132 PolarHBondContact O-N 3.09Å
131T62.3Low63.9Low120 Ų12095.9 Ų95.974%0.73649%0.489SS*.  trans-74.9-16179.553.30000113.2Y129Y129-T131 PolarHBondContact O-N 3.48Å
132L59.6Low64.1Low31 Ų3197.9 Ų97.916%0.16250%0.504CS..  trans-120.8107.3-174.4-68.7164.3000109.2V130 Q137 Y138V130-L132 WeakPolarHBondContact CG1-O 3.42Å; V130-L132 PolarHBondContact O-N 3.09Å; L132-Q137 HydrophobicContact CD2-CB 4.43Å; L132-Q137 VanDerWaalsContact CD2-CD 3.42Å; L132-Q137 HydrophobicContact CD2-CG 3.93Å; L132-Y138 HydrophobicContact CB-CD2 4.47Å; L132-Y138 HydrophobicContact CB-CE2 3.68Å; L132-Y138 HydrophobicContact CD1-CD1 4.19Å; L132-Y138 HydrophobicContact CD1-CD2 4.5Å; L132-Y138 HydrophobicContact CD1-CE1 3.4Å; L132-Y138 HydrophobicContact CD1-CE2 3.76Å; L132-Y138 WeakPolarHBondContact CD1-OH 3.32Å; L132-Y138 HydrophobicContact CG-CE2 4.24Å
133K59.9Low64.7Low115 Ų11598.1 Ų98.150%0.548%0.483SS..  trans-83.8-22.8-163.4-66.6-170.6175.1-161.60113.7
134D61.1Low65.7Low77 Ų7799.2 Ų99.241%0.41249%0.485SS..  trans-142.1146179.5-165.4-16.4000110.2E136 Q137D134-E136 HydrophobicContact CB-CB 4.44Å; D134-E136 PolarHBondContact O-N 3.43Å; D134-E136 PolarHBondContact OD1-N 3.27Å; D134-E136 VanDerWaalsContact OD1-N 3.13Å; D134-Q137 VanDerWaalsContact O-CB 3.31Å; D134-Q137 WeakPolarHBondContact O-CB 3.44Å; D134-Q137 PolarHBondContact O-N 3.24Å
135T59.1Low66.5Low106 Ų10694.8 Ų94.865%0.6546%0.462SS*.Hα-helixtrans-53.3-3216632.70000112.9Q137 Y138 E139T135-Q137 PolarHBondContact O-N 3.39Å; T135-Y138 PolarHBondContact O-N 3.44Å; T135-E139 PolarHBondContact O-N 2.83Å
136E60Low67.4Low106 Ų10693.6 Ų93.650%0.49545%0.452SS..Hα-helixtrans-63.1-22.1175.8-66.3-170.4178.300113.6D134 R140D134-E136 HydrophobicContact CB-CB 4.44Å; D134-E136 PolarHBondContact O-N 3.43Å; D134-E136 PolarHBondContact OD1-N 3.27Å; D134-E136 VanDerWaalsContact OD1-N 3.13Å; E136-R140 PolarHBondContact O-N 2.99Å; E136-R140 VanDerWaalsContact O-N 3.17Å; E136-R140 IonicContact OE2-NH2 3.68Å
137Q56.7Low68.3Low67 Ų6791.2 Ų91.231%0.31345%0.447SS..Hα-helixtrans-72.9-37.5178.2-167.2176.4-9.900111.5L132 D134 T135 R140 E141L132-Q137 HydrophobicContact CD2-CB 4.43Å; L132-Q137 VanDerWaalsContact CD2-CD 3.42Å; L132-Q137 HydrophobicContact CD2-CG 3.93Å; D134-Q137 VanDerWaalsContact O-CB 3.31Å; D134-Q137 WeakPolarHBondContact O-CB 3.44Å; D134-Q137 PolarHBondContact O-N 3.24Å; T135-Q137 PolarHBondContact O-N 3.39Å; Q137-R140 PolarHBondContact O-N 2.92Å; Q137-E141 WeakPolarHBondContact O-CG 3.3Å; Q137-E141 PolarHBondContact O-N 3.16Å; Q137-E141 VanDerWaalsContact O-N 3.13Å
138Y57.3Low68.9Low124 Ų12492 Ų9249%0.48646%0.456SS..Hα-helixtrans-64.2-45.5174.1-73.1-87000111.3L132 T135 R140 E141 D142L132-Y138 HydrophobicContact CB-CD2 4.47Å; L132-Y138 HydrophobicContact CB-CE2 3.68Å; L132-Y138 HydrophobicContact CD1-CD1 4.19Å; L132-Y138 HydrophobicContact CD1-CD2 4.5Å; L132-Y138 HydrophobicContact CD1-CE1 3.4Å; L132-Y138 HydrophobicContact CD1-CE2 3.76Å; L132-Y138 WeakPolarHBondContact CD1-OH 3.32Å; L132-Y138 HydrophobicContact CG-CE2 4.24Å; T135-Y138 PolarHBondContact O-N 3.44Å; Y138-R140 VanDerWaalsContact C-N 3.25Å; Y138-R140 PolarHBondContact O-N 2.93Å; Y138-E141 PolarHBondContact O-N 3.04Å; Y138-E141 VanDerWaalsContact O-N 3.14Å; Y138-D142 PolarHBondContact O-N 3.07Å
139E63Low70Confident119 Ų11987.9 Ų87.956%0.55643%0.429SS*.Hα-helixtrans-58.8-41.2177.3-64.4-177.6175.700110.9T135 E141 D142 F143T135-E139 PolarHBondContact O-N 2.83Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 2.66Å; E139-D142 PolarHBondContact O-N 2.73Å; E139-F143 WeakPolarHBondContact O-CD2 3.31Å; E139-F143 PolarHBondContact O-N 3.36Å
140R66.8Low71.3Confident165 Ų16579.2 Ų79.262%0.62340%0.395SS*.Hα-helixtrans-67.1-32.6178.6-128.3176.3-69.3168.9-3.5113.8E136 Q137 Y138E136-R140 PolarHBondContact O-N 2.99Å; E136-R140 VanDerWaalsContact O-N 3.17Å; E136-R140 IonicContact OE2-NH2 3.68Å; Q137-R140 PolarHBondContact O-N 2.92Å; Y138-R140 VanDerWaalsContact C-N 3.25Å; Y138-R140 PolarHBondContact O-N 2.93Å
141E66.6Low72.7Confident104 Ų10477.4 Ų77.449%0.48638%0.384SS..Hα-helixtrans-76.1-34.7177.4-72.9176.2-16800111.6Q137 Y138 E139 L144Q137-E141 WeakPolarHBondContact O-CG 3.3Å; Q137-E141 PolarHBondContact O-N 3.16Å; Q137-E141 VanDerWaalsContact O-N 3.13Å; Y138-E141 PolarHBondContact O-N 3.04Å; Y138-E141 VanDerWaalsContact O-N 3.14Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 2.66Å; E141-L144 WeakPolarHBondContact O-CB 3.11Å; E141-L144 PolarHBondContact O-N 3.32Å
142D70.8Confident74.3Confident108 Ų10871.7 Ų71.758%0.57835%0.349SS*.Hα-helixtrans-70.7-30.6178.4-72.9-13.7000113.3Y138 E139 L144Y138-D142 PolarHBondContact O-N 3.07Å; E139-D142 PolarHBondContact O-N 2.73Å; D142-L144 VanDerWaalsContact C-N 3.33Å
143F77.7Confident75.9Confident81 Ų8170.2 Ų70.236%0.35534%0.341SS..THydrogen-bonded Turntrans-85.7-0.1174.6-75.7-68.6000113.9P22 E139 I145 H179P22-F143 WeakPolarHBondContact CD-O 3.23Å; E139-F143 WeakPolarHBondContact O-CD2 3.31Å; E139-F143 PolarHBondContact O-N 3.36Å; F143-I145 PolarHBondContact O-N 2.97Å; F143-H179 AromaticContact CD1-CE1 3.54Å; F143-H179 AromaticContact CD1-NE2 3.85Å; F143-H179 PolarHBondContact O-NE2 3.48Å; F143-H179 VanDerWaalsContact O-NE2 3.15Å
144L84.5Confident77.6Confident68 Ų6864.7 Ų64.736%0.35632%0.318SS..PPolyproline II helixtrans-80.8117.1179.3-172.576.3000110E20 T21 E141 D142E20-L144 HydrophobicContact CB-CD1 4.36Å; T21-L144 HydrophobicContact CG2-CD1 3.73Å; E141-L144 WeakPolarHBondContact O-CB 3.11Å; E141-L144 PolarHBondContact O-N 3.32Å; D142-L144 VanDerWaalsContact C-N 3.33Å
145I86Confident79.2Confident5 Ų561 Ų613%0.02630%0.298CS..PPolyproline II helixtrans-89.8118.5173-58.2174.1000108.1A18 E20 P22 F143 D149 L151 V168A18-I145 HydrophobicContact CB-CD1 4.34Å; A18-I145 HydrophobicContact CB-CG2 4.2Å; E20-I145 WeakPolarHBondContact CA-O 3.3Å; E20-I145 PolarHBondContact O-N 3.49Å; P22-I145 HydrophobicContact CG-CD1 3.73Å; P22-I145 HydrophobicContact CG-CG1 4.4Å; F143-I145 PolarHBondContact O-N 2.97Å; I145-D149 HydrophobicContact CG2-CB 4.21Å; I145-L151 HydrophobicContact CD1-CD1 4.43Å; I145-L151 HydrophobicContact CD1-CD2 4.22Å; I145-L151 HydrophobicContact CG2-CD2 4.16Å; I145-V168 HydrophobicContact CG1-CG2 4.49Å
146K85.9Confident80.8Confident75 Ų7557.6 Ų57.633%0.32627%0.273SS..PPolyproline II helixtrans-77150.8179.2-57.5169.8-178.2167.50109.9S148 D149 E173K146-S148 PolarHBondContact O-N 3.32Å; K146-S148 VanDerWaalsContact O-N 3.09Å; K146-D149 VanDerWaalsContact CB-OD2 3.31Å; K146-D149 WeakPolarHBondContact CB-OD2 3.42Å; K146-D149 PolarHBondContact N-OD2 2.87Å; K146-D149 VanDerWaalsContact O-CB 3.3Å; K146-D149 WeakPolarHBondContact O-CB 3.23Å; K146-D149 PolarHBondContact O-N 3.14Å; K146-E173 IonicContact NZ-OE1 3.62Å; K146-E173 PolarHBondContact NZ-OE1 3.3Å; K146-E173 IonicContact NZ-OE2 3.46Å; K146-E173 PolarHBondContact NZ-OE2 2.82Å
147P85.6Confident82.2Confident78 Ų7852.7 Ų52.751%0.50625%0.251SS..THydrogen-bonded Turntrans-61-21.2174.9-25.634.8000114.7C15 G16 D149C15-P147 WeakPolarHBondContact CB-O 2.93Å; G16-P147 PolarHBondContact N-O 3.38Å; P147-D149 VanDerWaalsContact C-N 3.32Å
148S87.2Confident83.5Confident57 Ų5752 Ų5240%0.39925%0.247SC..THydrogen-bonded Turntrans-78.7-15174.351.30000113.6K146 N170K146-S148 PolarHBondContact O-N 3.32Å; K146-S148 VanDerWaalsContact O-N 3.09Å; S148-N170 PolarHBondContact OG-ND2 3.14Å
149D89.9Confident84.5Confident9 Ų953.8 Ų53.85%0.04826%0.26CS..PPolyproline II helixtrans-80.3138.4-171.5-62.1-15000110.8C15 I145 K146 P147 V168 N170C15-D149 WeakPolarHBondContact CA-O 3.31Å; I145-D149 HydrophobicContact CG2-CB 4.21Å; K146-D149 VanDerWaalsContact CB-OD2 3.31Å; K146-D149 WeakPolarHBondContact CB-OD2 3.42Å; K146-D149 PolarHBondContact N-OD2 2.87Å; K146-D149 VanDerWaalsContact O-CB 3.3Å; K146-D149 WeakPolarHBondContact O-CB 3.23Å; K146-D149 PolarHBondContact O-N 3.14Å; P147-D149 VanDerWaalsContact C-N 3.32Å; D149-V168 HydrophobicContact CB-CG1 3.92Å; D149-N170 WeakPolarHBondContact OD1-CB 3.47Å; D149-N170 PolarHBondContact OD1-ND2 2.82Å
150N92.8Very high85.3Confident7 Ų755.4 Ų55.44%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-92.5144.4166.8-73.5113.8000109.1W12 V13 C15 Y169 D441W12-N150 HydrophobicContact CE3-CB 3.99Å; W12-N150 HydrophobicContact CZ3-CB 3.82Å; V13-N150 PolarHBondContact O-ND2 3.07Å; C15-N150 PolarHBondContact N-ND2 3.45Å; N150-Y169 HydrophobicContact CB-CD1 4.5Å; N150-Y169 PolarHBondContact N-O 2.92Å; N150-Y169 PolarHBondContact O-N 3.05Å; N150-D441 PolarHBondContact ND2-OD2 2.81Å
151L93.6Very high86.2Confident3 Ų353.7 Ų53.72%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-101.3144167.9-48.5176000110.3V13 A18 I145 V166 H167 V168V13-L151 HydrophobicContact CB-CB 3.86Å; V13-L151 HydrophobicContact CB-CG 4.46Å; V13-L151 HydrophobicContact CG2-CB 4Å; V13-L151 PolarHBondContact N-O 3.09Å; V13-L151 PolarHBondContact O-N 2.67Å; A18-L151 HydrophobicContact CB-CD1 3.59Å; A18-L151 HydrophobicContact CB-CG 4.39Å; I145-L151 HydrophobicContact CD1-CD1 4.43Å; I145-L151 HydrophobicContact CD1-CD2 4.22Å; I145-L151 HydrophobicContact CG2-CD2 4.16Å; L151-V166 HydrophobicContact CB-CG1 4.38Å; L151-V166 HydrophobicContact CD1-CG1 4.31Å; L151-H167 CarbonylContact C-O 3.56Å; L151-H167 VanDerWaalsContact CA-O 3.29Å; L151-H167 WeakPolarHBondContact CA-O 3.22Å; L151-V168 HydrophobicContact CD2-CB 4.43Å; L151-V168 HydrophobicContact CD2-CG2 3.6Å
152I95.4Very high87.4Confident0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-119.6117.9170.9-49.3176.1000107V10 W12 H167 Y169 F176 A447 L455 V457V10-I152 HydrophobicContact CG2-CG2 3.49Å; V10-I152 VanDerWaalsContact CG2-CG2 3.49Å; W12-I152 HydrophobicContact CD2-CD1 4.47Å; W12-I152 HydrophobicContact CD2-CG1 3.94Å; W12-I152 HydrophobicContact CE3-CD1 4.15Å; W12-I152 HydrophobicContact CE3-CG1 3.53Å; W12-I152 HydrophobicContact CH2-CD1 3.22Å; W12-I152 HydrophobicContact CH2-CG1 3.6Å; W12-I152 HydrophobicContact CZ2-CD1 3.6Å; W12-I152 HydrophobicContact CZ2-CG1 4Å; W12-I152 HydrophobicContact CZ3-CD1 3.53Å; W12-I152 HydrophobicContact CZ3-CG1 3.34Å; I152-H167 HydrophobicContact CB-CB 4.26Å; I152-H167 PolarHBondContact N-O 2.93Å; I152-H167 PolarHBondContact O-N 3Å; I152-Y169 HydrophobicContact CD1-CG 4.48Å; I152-F176 HydrophobicContact CD1-CE2 4Å; I152-A447 HydrophobicContact CD1-CB 4.49Å; I152-A447 HydrophobicContact CG2-CB 4.26Å; I152-L455 HydrophobicContact CB-CD2 4.47Å; I152-L455 HydrophobicContact CG2-CD1 4.47Å; I152-L455 HydrophobicContact CG2-CD2 3.87Å; I152-V457 HydrophobicContact CD1-CG2 3.39Å
153V95.2Very high88.4Confident0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-99.7126.9175-174.40000107.7V10 A11 V13 L164 E165 V166 I208 L222V10-V153 CarbonylContact C-O 3.59Å; V10-V153 WeakPolarHBondContact CA-O 3.44Å; A11-V153 PolarHBondContact N-O 3.12Å; A11-V153 PolarHBondContact O-N 3.34Å; V13-V153 HydrophobicContact CG2-CG2 4.16Å; V153-L164 HydrophobicContact CG1-CD1 3.55Å; V153-L164 HydrophobicContact CG1-CD2 3.86Å; V153-L164 HydrophobicContact CG1-CG 3.6Å; V153-E165 WeakPolarHBondContact CA-O 3.36Å; V153-V166 HydrophobicContact CG2-CG2 4.4Å; V153-I208 HydrophobicContact CB-CD1 4.31Å; V153-I208 HydrophobicContact CG1-CD1 4.27Å; V153-I208 HydrophobicContact CG1-CG1 4.19Å; V153-I208 HydrophobicContact CG2-CD1 4.45Å; V153-L222 HydrophobicContact CG2-CD1 3.77Å; V153-L222 HydrophobicContact CG2-CD2 3.87Å
154C94.9Very high89.1Confident0 Ų041.6 Ų41.60%022%0.216CC..EExtended strand (participates in β ladder)trans-131.1136.6177.374.70000112.2V7 C9 V10 L164 E165 L455V7-C154 HydrophobicContact CG1-CB 3.81Å; C9-C154 WeakPolarHBondContact O-CA 3.42Å; V10-C154 HydrophobicContact CB-CB 4.48Å; V10-C154 HydrophobicContact CG2-CB 4.32Å; C154-L164 WeakPolarHBondContact O-CA 3.42Å; C154-E165 PolarHBondContact N-O 3.49Å; C154-E165 PolarHBondContact O-N 2.89Å; C154-L455 HydrophobicContact CB-CD1 4.38Å; C154-L455 HydrophobicContact CB-CD2 4.15Å
155G94.2Very high89.6Confident0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-82.6117.8171.300000109V7 T8 C9V7-G155 WeakPolarHBondContact CA-O 3.35Å; T8-G155 PolarHBondContact N-O 2.77Å; T8-G155 PolarHBondContact OG1-O 3.01Å; C9-G155 PolarHBondContact O-N 3.23Å
156R92Very high89.9Confident33 Ų3338.8 Ų38.813%0.12520%0.201CC..EExtended strand (participates in β ladder)trans-113.9137.1178173.2-177.9-176.2162.3-12.1110.1R5 Q6 V7 E158 C162 N163 E165R5-R156 VanDerWaalsContact NE-NH2 3.12Å; Q6-R156 WeakPolarHBondContact O-CA 3.42Å; V7-R156 HydrophobicContact CG2-CB 4.37Å; R156-E158 IonicContact CZ-OE1 3.54Å; R156-E158 IonicContact NE-OE1 3.12Å; R156-E158 PolarHBondContact NE-OE1 2.7Å; R156-E158 IonicContact NH2-OE1 2.81Å; R156-E158 PolarHBondContact NH2-OE1 3.29Å; R156-C162 WeakPolarHBondContact O-CA 3.37Å; R156-N163 WeakPolarHBondContact CB-OD1 3.35Å; R156-N163 WeakPolarHBondContact CD-OD1 3.48Å; R156-N163 VanDerWaalsContact CG-OD1 3.29Å; R156-N163 WeakPolarHBondContact CG-OD1 3.41Å; R156-N163 PolarHBondContact N-O 2.89Å; R156-N163 PolarHBondContact O-N 3.48Å; R156-N163 VanDerWaalsContact O-O 3.09Å; R156-N163 PolarHBondContact O-OD1 2.89Å; R156-E165 WeakPolarHBondContact CD-OE1 3.3Å; R156-E165 IonicContact CZ-OE1 3.72Å; R156-E165 IonicContact NE-OE1 3.39Å; R156-E165 IonicContact NH1-OE1 2.78Å; R156-E165 PolarHBondContact NH1-OE1 2.94Å; R156-E165 IonicContact NH1-OE2 3.27Å; R156-E165 PolarHBondContact NH1-OE2 3.19Å
157A89.8Confident90.3Very high4 Ų435.8 Ų35.83%0.03319%0.188CC..EExtended strand (participates in β ladder)trans-125.2117.8179.200000109.9Q6 T8 Y187Q6-A157 PolarHBondContact N-O 2.99Å; Q6-A157 PolarHBondContact O-N 3.15Å; T8-A157 HydrophobicContact CG2-CB 4.16Å; A157-Y187 HydrophobicContact CB-CD2 3.43Å; A157-Y187 VanDerWaalsContact CB-CD2 3.43Å; A157-Y187 HydrophobicContact CB-CE2 3.11Å; A157-Y187 HydrophobicContact CB-CG 4.34Å
158E84.9Confident90.6Very high51 Ų5132.1 Ų32.124%0.23816%0.164CC..  trans-104.2170.3166.4-59.9-161.717700109.5R5 R156 D160 Q161R5-E158 IonicContact NE-OE1 3.74Å; R156-E158 IonicContact CZ-OE1 3.54Å; R156-E158 IonicContact NE-OE1 3.12Å; R156-E158 PolarHBondContact NE-OE1 2.7Å; R156-E158 IonicContact NH2-OE1 2.81Å; R156-E158 PolarHBondContact NH2-OE1 3.29Å; E158-D160 PolarHBondContact O-N 2.81Å; E158-D160 VanDerWaalsContact O-N 3.15Å; E158-Q161 PolarHBondContact N-O 3.4Å
159Q77.9Confident90.9Very high163 Ų16330.1 Ų30.176%0.76215%0.148SC*.SBendtrans-57.7-33-173.6-74.7-179.7-27.200113.7
160D78.9Confident90.9Very high152 Ų15229.9 Ų29.981%0.81315%0.146SC*.SBendtrans-118.9-8-172.8-60-39000113.5E158E158-D160 PolarHBondContact O-N 2.81Å; E158-D160 VanDerWaalsContact O-N 3.15Å
161Q86.2Confident90.6Very high129 Ų12933.5 Ų33.560%0.60316%0.163SC*.  trans-146.9141.7-174-67.1-177.7-10.500111.3E158E158-Q161 PolarHBondContact N-O 3.4Å
162C91.3Very high90.3Very high22 Ų2241.9 Ų41.915%0.14920%0.202CC..EExtended strand (participates in β ladder)trans-116.3126.5173.3-630000107.9R156 L184 A186 Y187R156-C162 WeakPolarHBondContact O-CA 3.37Å; C162-L184 HydrophobicContact CB-CB 4.19Å; C162-L184 PolarHBondContact O-N 2.92Å; C162-A186 WeakPolarHBondContact CB-O 3.39Å; C162-Y187 VanDerWaalsContact SG-CA 3.57Å
163N92.3Very high89.8Confident17 Ų1747.3 Ų47.39%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-130.4150.4-179.963.4-25.9000110.8R156 E165 I182R156-N163 WeakPolarHBondContact CB-OD1 3.35Å; R156-N163 WeakPolarHBondContact CD-OD1 3.48Å; R156-N163 VanDerWaalsContact CG-OD1 3.29Å; R156-N163 WeakPolarHBondContact CG-OD1 3.41Å; R156-N163 PolarHBondContact N-O 2.89Å; R156-N163 PolarHBondContact O-N 3.48Å; R156-N163 VanDerWaalsContact O-O 3.09Å; R156-N163 PolarHBondContact O-OD1 2.89Å; N163-E165 WeakPolarHBondContact ND2-CG 3.4Å; N163-E165 PolarHBondContact ND2-OE1 3.38Å; N163-I182 CarbonylContact C-O 3.58Å; N163-I182 WeakPolarHBondContact CA-O 3.29Å
164L93.5Very high89.3Confident0 Ų053.9 Ų53.90%026%0.263CS..EExtended strand (participates in β ladder)trans-102.8109.4168.6-169.374000106.7V153 C154 D181 I182 L184 V191 I208 V210V153-L164 HydrophobicContact CG1-CD1 3.55Å; V153-L164 HydrophobicContact CG1-CD2 3.86Å; V153-L164 HydrophobicContact CG1-CG 3.6Å; C154-L164 WeakPolarHBondContact O-CA 3.42Å; L164-D181 CarbonylContact O-C 3.55Å; L164-D181 VanDerWaalsContact O-CA 3.26Å; L164-D181 WeakPolarHBondContact O-CA 3.47Å; L164-I182 HydrophobicContact CB-CB 4.23Å; L164-I182 PolarHBondContact N-O 3.44Å; L164-I182 PolarHBondContact O-N 2.81Å; L164-L184 HydrophobicContact CB-CD1 4.03Å; L164-L184 HydrophobicContact CB-CD2 4.16Å; L164-L184 HydrophobicContact CB-CG 4.06Å; L164-L184 HydrophobicContact CD1-CD1 4.5Å; L164-V191 HydrophobicContact CD1-CG1 3.8Å; L164-I208 HydrophobicContact CD2-CG2 3.8Å; L164-V210 HydrophobicContact CD1-CG2 4.33Å; L164-V210 HydrophobicContact CD2-CG2 4.08Å
165E93.8Very high89Confident15 Ų1555.7 Ų55.77%0.0728%0.276CS..EExtended strand (participates in β ladder)trans-94.3132.5179-62.1179.6171.200109.7V153 C154 R156 N163 H167 D181V153-E165 WeakPolarHBondContact CA-O 3.36Å; C154-E165 PolarHBondContact N-O 3.49Å; C154-E165 PolarHBondContact O-N 2.89Å; R156-E165 WeakPolarHBondContact CD-OE1 3.3Å; R156-E165 IonicContact CZ-OE1 3.72Å; R156-E165 IonicContact NE-OE1 3.39Å; R156-E165 IonicContact NH1-OE1 2.78Å; R156-E165 PolarHBondContact NH1-OE1 2.94Å; R156-E165 IonicContact NH1-OE2 3.27Å; R156-E165 PolarHBondContact NH1-OE2 3.19Å; N163-E165 WeakPolarHBondContact ND2-CG 3.4Å; N163-E165 PolarHBondContact ND2-OE1 3.38Å; E165-H167 WeakPolarHBondContact CB-NE2 3.48Å; E165-H167 IonicContact OE2-CE1 3.28Å; E165-H167 IonicContact OE2-NE2 3.76Å; E165-H167 PolarHBondContact OE2-NE2 2.86Å; E165-D181 HydrophobicContact CG-CB 4.17Å
166V93.8Very high88.9Confident0 Ų059.6 Ų59.60%029%0.292CS..EExtended strand (participates in β ladder)trans-105.8112.6173.9-174.40000108.2L151 V153 H179 H180 L222L151-V166 HydrophobicContact CB-CG1 4.38Å; L151-V166 HydrophobicContact CD1-CG1 4.31Å; V153-V166 HydrophobicContact CG2-CG2 4.4Å; V166-H179 PolarHBondContact O-N 3Å; V166-H180 WeakPolarHBondContact CG2-NE2 3.3Å; V166-H180 PolarHBondContact N-O 3.44Å; V166-H180 PolarHBondContact O-N 2.92Å; V166-L222 HydrophobicContact CG2-CD2 3.78Å
167H93.6Very high88.8Confident12 Ų1261.8 Ų61.86%0.05630%0.301CS..EExtended strand (participates in β ladder)trans-102.5141.6179.2-63.4-111.7000110.3L151 I152 E165 F176 Y177 V178L151-H167 CarbonylContact C-O 3.56Å; L151-H167 VanDerWaalsContact CA-O 3.29Å; L151-H167 WeakPolarHBondContact CA-O 3.22Å; I152-H167 HydrophobicContact CB-CB 4.26Å; I152-H167 PolarHBondContact N-O 2.93Å; I152-H167 PolarHBondContact O-N 3Å; E165-H167 WeakPolarHBondContact CB-NE2 3.48Å; E165-H167 IonicContact OE2-CE1 3.28Å; E165-H167 IonicContact OE2-NE2 3.76Å; E165-H167 PolarHBondContact OE2-NE2 2.86Å; H167-F176 HydrophobicContact CB-CD2 4.39Å; H167-F176 HydrophobicContact CB-CE2 3.64Å; H167-F176 HydrophobicContact CB-CZ 4.29Å; H167-F176 AromaticContact CG-CE2 3.93Å; H167-F176 AromaticContact ND1-CE2 3.7Å; H167-F176 AromaticContact ND1-CZ 3.47Å; H167-F176 WeakPolarHBondContact ND1-CZ 3.43Å; H167-Y177 CarbonylContact C-O 3.54Å; H167-Y177 VanDerWaalsContact CA-O 3.23Å; H167-Y177 WeakPolarHBondContact CA-O 3.49Å; H167-V178 WeakPolarHBondContact CE1-CG2 3.21Å
168V92.6Very high88.8Confident1 Ų165 Ų651%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-95.4131.7169.9172.20000108.1I145 D149 L151 F176 Y177 H179I145-V168 HydrophobicContact CG1-CG2 4.49Å; D149-V168 HydrophobicContact CB-CG1 3.92Å; L151-V168 HydrophobicContact CD2-CB 4.43Å; L151-V168 HydrophobicContact CD2-CG2 3.6Å; V168-F176 WeakPolarHBondContact O-CA 3.43Å; V168-Y177 HydrophobicContact CB-CD1 4.35Å; V168-Y177 HydrophobicContact CB-CE1 3.85Å; V168-Y177 HydrophobicContact CB-CE2 4.36Å; V168-Y177 HydrophobicContact CG1-CE1 3.86Å; V168-Y177 HydrophobicContact CG2-CE2 4.48Å; V168-Y177 PolarHBondContact N-O 3.02Å; V168-Y177 PolarHBondContact O-N 2.8Å; V168-H179 HydrophobicContact CG2-CB 3.8Å
169Y93.2Very high89.1Confident14 Ų1463.2 Ų63.26%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-125.9120175.7178.7-102.2000110.3W12 N150 I152 Q171 S175 F176 L442 I445 V457W12-Y169 AromaticContact CH2-CD1 3.86Å; W12-Y169 HydrophobicContact CH2-CD1 3.86Å; W12-Y169 HydrophobicContact CH2-CE1 4.39Å; W12-Y169 HydrophobicContact CH2-CG 4.17Å; W12-Y169 AromaticContact CZ3-CD1 3.85Å; W12-Y169 HydrophobicContact CZ3-CD1 3.85Å; W12-Y169 HydrophobicContact CZ3-CG 4.24Å; N150-Y169 HydrophobicContact CB-CD1 4.5Å; N150-Y169 PolarHBondContact N-O 2.92Å; N150-Y169 PolarHBondContact O-N 3.05Å; I152-Y169 HydrophobicContact CD1-CG 4.48Å; Y169-Q171 HydrophobicContact CE1-CB 4.15Å; Y169-S175 WeakPolarHBondContact CA-O 3.43Å; Y169-F176 HydrophobicContact CD2-CB 4.26Å; Y169-F176 HydrophobicContact CD2-CD2 4.12Å; Y169-L442 HydrophobicContact CE1-CD1 4.04Å; Y169-I445 HydrophobicContact CE1-CG1 4.31Å; Y169-I445 HydrophobicContact CE1-CG2 3.8Å; Y169-V457 HydrophobicContact CD2-CG1 4.18Å; Y169-V457 HydrophobicContact CD2-CG2 4.5Å; Y169-V457 HydrophobicContact CE2-CB 4.47Å; Y169-V457 HydrophobicContact CE2-CG1 3.83Å
170N90Very high89.6Confident4 Ų456 Ų562%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-123.2117.9174-174.4-44.2000109.7S148 D149 E172 E173 D174 S175S148-N170 PolarHBondContact OG-ND2 3.14Å; D149-N170 WeakPolarHBondContact OD1-CB 3.47Å; D149-N170 PolarHBondContact OD1-ND2 2.82Å; N170-E172 PolarHBondContact OD1-N 3.31Å; N170-E173 HydrophobicContact CB-CB 4.48Å; N170-E173 PolarHBondContact OD1-N 3.43Å; N170-D174 WeakPolarHBondContact O-CA 3.11Å; N170-D174 PolarHBondContact O-N 2.82Å; N170-D174 VanDerWaalsContact O-N 3.12Å; N170-S175 PolarHBondContact N-O 3.39Å; N170-S175 PolarHBondContact O-N 3.26Å
171Q86.4Confident90.2Very high84 Ų8452.3 Ų52.339%0.39326%0.259SS..THydrogen-bonded Turntrans-73.5-34.5-179.1-170.9-17716.700113.1Y169 D174 L442Y169-Q171 HydrophobicContact CE1-CB 4.15Å; Q171-D174 PolarHBondContact O-N 3.26Å; Q171-L442 HydrophobicContact CB-CD1 3.84Å; Q171-L442 HydrophobicContact CG-CD1 4.35Å
172E86Confident90.5Very high178 Ų17846.3 Ų46.383%0.83223%0.231SC*.THydrogen-bonded Turntrans-69.7-36.5-176.5-62.4-171.4167.900111.7N170N170-E172 PolarHBondContact OD1-N 3.31Å
173E85.8Confident90.4Very high114 Ų11450.4 Ų50.453%0.53325%0.25SS..THydrogen-bonded Turntrans-94.4-3.9179.3-62.7-177.8171.700112.9K146 N170 S175K146-E173 IonicContact NZ-OE1 3.62Å; K146-E173 PolarHBondContact NZ-OE1 3.3Å; K146-E173 IonicContact NZ-OE2 3.46Å; K146-E173 PolarHBondContact NZ-OE2 2.82Å; N170-E173 HydrophobicContact CB-CB 4.48Å; N170-E173 PolarHBondContact OD1-N 3.43Å; E173-S175 PolarHBondContact O-N 2.77Å
174D85.3Confident90.3Very high139 Ų13950.4 Ų50.474%0.74325%0.251SS*.THydrogen-bonded Turntrans49.237.3-170.4-161.433.3000112.3N170 Q171N170-D174 WeakPolarHBondContact O-CA 3.11Å; N170-D174 PolarHBondContact O-N 2.82Å; N170-D174 VanDerWaalsContact O-N 3.12Å; Q171-D174 PolarHBondContact O-N 3.26Å
175S87.8Confident89.9Confident38 Ų3854.1 Ų54.127%0.26628%0.276SS..EExtended strand (participates in β ladder)trans-96.3130.7-176.5-165.80000110.4Y169 N170 E173Y169-S175 WeakPolarHBondContact CA-O 3.43Å; N170-S175 PolarHBondContact N-O 3.39Å; N170-S175 PolarHBondContact O-N 3.26Å; E173-S175 PolarHBondContact O-N 2.77Å
176F91.4Very high89.8Confident81 Ų8154.2 Ų54.236%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-146.6111177.2178-117.9000110I152 H167 V168 Y169 L455 V457I152-F176 HydrophobicContact CD1-CE2 4Å; H167-F176 HydrophobicContact CB-CD2 4.39Å; H167-F176 HydrophobicContact CB-CE2 3.64Å; H167-F176 HydrophobicContact CB-CZ 4.29Å; H167-F176 AromaticContact CG-CE2 3.93Å; H167-F176 AromaticContact ND1-CE2 3.7Å; H167-F176 AromaticContact ND1-CZ 3.47Å; H167-F176 WeakPolarHBondContact ND1-CZ 3.43Å; V168-F176 WeakPolarHBondContact O-CA 3.43Å; Y169-F176 HydrophobicContact CD2-CB 4.26Å; Y169-F176 HydrophobicContact CD2-CD2 4.12Å; F176-L455 HydrophobicContact CE2-CD2 4.35Å; F176-L455 HydrophobicContact CZ-CD2 3.88Å; F176-L455 HydrophobicContact CZ-CG 4.28Å; F176-V457 HydrophobicContact CD2-CG2 4.22Å; F176-V457 HydrophobicContact CE2-CG2 3.85Å; F176-V457 HydrophobicContact CZ-CG2 4.05Å
177Y90.1Very high89.7Confident79 Ų7957.9 Ų57.931%0.3129%0.294SS..EExtended strand (participates in β ladder)trans-150.5158.8-177.265-82.8000112.3H167 V168 H179H167-Y177 CarbonylContact C-O 3.54Å; H167-Y177 VanDerWaalsContact CA-O 3.23Å; H167-Y177 WeakPolarHBondContact CA-O 3.49Å; V168-Y177 HydrophobicContact CB-CD1 4.35Å; V168-Y177 HydrophobicContact CB-CE1 3.85Å; V168-Y177 HydrophobicContact CB-CE2 4.36Å; V168-Y177 HydrophobicContact CG1-CE1 3.86Å; V168-Y177 HydrophobicContact CG2-CE2 4.48Å; V168-Y177 PolarHBondContact N-O 3.02Å; V168-Y177 PolarHBondContact O-N 2.8Å; Y177-H179 HydrophobicContact CE2-CB 4.4Å
178V90.6Very high89.7Confident71 Ų7157.3 Ų57.343%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-76.9121.2172.3-179.50000108H167H167-V178 WeakPolarHBondContact CE1-CG2 3.21Å
179H89.7Confident89.8Confident15 Ų1559.4 Ų59.47%0.06930%0.302CS..EExtended strand (participates in β ladder)trans-87.2-44.7175.9179-67000111.4F143 V166 V168 Y177F143-H179 AromaticContact CD1-CE1 3.54Å; F143-H179 AromaticContact CD1-NE2 3.85Å; F143-H179 PolarHBondContact O-NE2 3.48Å; F143-H179 VanDerWaalsContact O-NE2 3.15Å; V166-H179 PolarHBondContact O-N 3Å; V168-H179 HydrophobicContact CG2-CB 3.8Å; Y177-H179 HydrophobicContact CE2-CB 4.4Å
180H89.8Confident89.8Confident11 Ų1159 Ų595%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-160.2164.317564.3-82.8000110.9V166 V225V166-H180 WeakPolarHBondContact CG2-NE2 3.3Å; V166-H180 PolarHBondContact N-O 3.44Å; V166-H180 PolarHBondContact O-N 2.92Å; H180-V225 HydrophobicContact CB-CG1 3.91Å; H180-V225 HydrophobicContact CB-CG2 4.31Å
181D91.4Very high90.1Very high75 Ų7559.3 Ų59.340%0.40130%0.304SS..EExtended strand (participates in β ladder)trans-129.3152.9172.768.5-30.2000112L164 E165L164-D181 CarbonylContact O-C 3.55Å; L164-D181 VanDerWaalsContact O-CA 3.26Å; L164-D181 WeakPolarHBondContact O-CA 3.47Å; E165-D181 HydrophobicContact CG-CB 4.17Å
182I91.1Very high90.5Very high2 Ų257.1 Ų57.11%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-122.2129-180-58.7173.6000107.7N163 L164 L184 W220N163-I182 CarbonylContact C-O 3.58Å; N163-I182 WeakPolarHBondContact CA-O 3.29Å; L164-I182 HydrophobicContact CB-CB 4.23Å; L164-I182 PolarHBondContact N-O 3.44Å; L164-I182 PolarHBondContact O-N 2.81Å; I182-L184 PolarHBondContact O-N 2.86Å; I182-W220 HydrophobicContact CD1-CB 4.48Å; I182-W220 HydrophobicContact CD1-CE3 4.46Å; I182-W220 HydrophobicContact CG2-CD2 3.92Å; I182-W220 HydrophobicContact CG2-CE3 3.49Å; I182-W220 VanDerWaalsContact CG2-CE3 3.49Å; I182-W220 HydrophobicContact CG2-CH2 3.82Å; I182-W220 HydrophobicContact CG2-CZ2 4.24Å; I182-W220 HydrophobicContact CG2-CZ3 3.42Å; I182-W220 VanDerWaalsContact CG2-CZ3 3.42Å
183L90.8Very high90.9Very high108 Ų10849.8 Ų49.857%0.56526%0.258SS*.EExtended strand (participates in β ladder)trans-76.4125178.2-67.2174.5000110.4
184L90.1Very high91.1Very high18 Ų1844.4 Ų44.49%0.09423%0.233CC..  trans-96.4148.7179.3-64178.7000111.4C162 L164 I182 A186 P188 V210 W220C162-L184 HydrophobicContact CB-CB 4.19Å; C162-L184 PolarHBondContact O-N 2.92Å; L164-L184 HydrophobicContact CB-CD1 4.03Å; L164-L184 HydrophobicContact CB-CD2 4.16Å; L164-L184 HydrophobicContact CB-CG 4.06Å; L164-L184 HydrophobicContact CD1-CD1 4.5Å; I182-L184 PolarHBondContact O-N 2.86Å; L184-A186 VanDerWaalsContact C-N 3.29Å; L184-A186 PolarHBondContact O-N 3.46Å; L184-P188 HydrophobicContact CD1-CB 3.73Å; L184-P188 HydrophobicContact CD1-CG 3.82Å; L184-V210 HydrophobicContact CD1-CG1 4.12Å; L184-V210 HydrophobicContact CD2-CG1 4.43Å; L184-W220 HydrophobicContact CD2-CZ2 4.11Å
185S85.6Confident91.2Very high77 Ų7738.8 Ų38.854%0.53820%0.203SC..SBendtrans-73.8-21.8-179.974.60000113.3E218S185-E218 PolarHBondContact OG-OE1 2.66Å
186A90.1Very high90.9Very high17 Ų1738 Ų3814%0.1419%0.194CC..SBendtrans-152.7171.6-176.400000111.7C162 L184 P188 N212 T214C162-A186 WeakPolarHBondContact CB-O 3.39Å; L184-A186 VanDerWaalsContact C-N 3.29Å; L184-A186 PolarHBondContact O-N 3.46Å; A186-P188 WeakPolarHBondContact O-CD 3.46Å; A186-N212 HydrophobicContact CB-CB 4.12Å; A186-T214 HydrophobicContact CB-CG2 3.62Å
187Y92.1Very high90.2Very high77 Ų7735.4 Ų35.430%0.30218%0.184SC..  trans-62.2118.3179.7-168.6-82.5000111.3T8 A157 C162 L189 N212 M213T8-Y187 HydrophobicContact CG2-CD1 4.44Å; T8-Y187 HydrophobicContact CG2-CE1 3.47Å; T8-Y187 VanDerWaalsContact CG2-CE1 3.47Å; T8-Y187 HydrophobicContact CG2-CE2 4.28Å; T8-Y187 WeakPolarHBondContact CG2-OH 3.41Å; A157-Y187 HydrophobicContact CB-CD2 3.43Å; A157-Y187 VanDerWaalsContact CB-CD2 3.43Å; A157-Y187 HydrophobicContact CB-CE2 3.11Å; A157-Y187 HydrophobicContact CB-CG 4.34Å; C162-Y187 VanDerWaalsContact SG-CA 3.57Å; Y187-L189 HydrophobicContact CD1-CD2 3.73Å; Y187-L189 HydrophobicContact CD1-CG 4.44Å; Y187-L189 HydrophobicContact CE1-CD2 3.88Å; Y187-N212 CarbonylContact O-C 3.53Å; Y187-N212 VanDerWaalsContact O-CA 3.26Å; Y187-N212 WeakPolarHBondContact O-CA 3.47Å; Y187-N212 WeakPolarHBondContact O-CB 3.32Å; Y187-M213 HydrophobicContact CD1-CG 4.34Å; Y187-M213 HydrophobicContact CG-CG 4.42Å; Y187-M213 PolarHBondContact O-N 3.14Å
188P94.1Very high89.2Confident0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-74.4134.7179.729-32.9000110.5T8 L184 A186 V210T8-P188 VanDerWaalsContact CB-O 3.29Å; T8-P188 WeakPolarHBondContact CB-O 3.5Å; T8-P188 PolarHBondContact OG1-O 3.12Å; L184-P188 HydrophobicContact CD1-CB 3.73Å; L184-P188 HydrophobicContact CD1-CG 3.82Å; A186-P188 WeakPolarHBondContact O-CD 3.46Å; P188-V210 HydrophobicContact CB-CG1 4.17Å
189L93.4Very high88.3Confident46 Ų4632.8 Ų32.824%0.24118%0.18CC..EExtended strand (participates in β ladder)trans-112.8-37.1178.7-64.2176.5000111.8C9 Y187 G211 M213 A258 V259 L260C9-L189 WeakPolarHBondContact CB-O 3.34Å; Y187-L189 HydrophobicContact CD1-CD2 3.73Å; Y187-L189 HydrophobicContact CD1-CG 4.44Å; Y187-L189 HydrophobicContact CE1-CD2 3.88Å; L189-G211 PolarHBondContact N-O 3.48Å; L189-M213 HydrophobicContact CD1-CG 4.23Å; L189-M213 HydrophobicContact CD1-SD 3.71Å; L189-M213 HydrophobicContact CD2-CG 4.5Å; L189-M213 HydrophobicContact CD2-SD 4.12Å; L189-M213 HydrophobicContact CG-CG 4.39Å; L189-M213 HydrophobicContact CG-SD 4.26Å; L189-A258 HydrophobicContact CD1-CB 4.14Å; L189-V259 WeakPolarHBondContact CD1-O 3.37Å; L189-L260 HydrophobicContact CD1-CD2 3.72Å
190S94.1Very high86.8Confident4 Ų438.3 Ų38.33%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-143.4150.8177.949.60000111.4G211 L260 D261S190-G211 PolarHBondContact N-O 2.9Å; S190-G211 VanDerWaalsContact N-O 3.14Å; S190-G211 PolarHBondContact O-N 3.05Å; S190-L260 VanDerWaalsContact CB-O 3.28Å; S190-L260 WeakPolarHBondContact CB-O 3.36Å; S190-L260 PolarHBondContact OG-O 3.02Å; S190-D261 WeakPolarHBondContact OG-CA 3.27Å
191V95.5Very high85.5Confident12 Ų1243.6 Ų43.67%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-135.9136.7174.4-69.40000108.4C9 A11 L164 I208 A209 V210C9-V191 HydrophobicContact CB-CG2 3.98Å; A11-V191 HydrophobicContact CB-CB 4.49Å; A11-V191 HydrophobicContact CB-CG2 3.8Å; L164-V191 HydrophobicContact CD1-CG1 3.8Å; V191-I208 HydrophobicContact CB-CD1 4.18Å; V191-I208 HydrophobicContact CB-CG1 4.26Å; V191-A209 WeakPolarHBondContact CA-O 3.23Å; V191-V210 HydrophobicContact CG1-CG1 4.32Å; V191-V210 HydrophobicContact CG1-CG2 4.21Å
192E95.3Very high83.7Confident38 Ų3848.5 Ų48.518%0.17827%0.272CS..EExtended strand (participates in β ladder)trans-137.2126.6177.8177.465-177.900109.7L194 I208 A209 L262 W264 K266E192-L194 HydrophobicContact CG-CD2 4.24Å; E192-I208 WeakPolarHBondContact O-CD1 3.35Å; E192-A209 PolarHBondContact N-O 3.14Å; E192-A209 PolarHBondContact O-N 2.85Å; E192-L262 HydrophobicContact CB-CB 3.87Å; E192-W264 HydrophobicContact CG-CB 3.76Å; E192-W264 PolarHBondContact OE1-N 3.24Å; E192-K266 IonicContact OE1-NZ 2.7Å; E192-K266 PolarHBondContact OE1-NZ 3.22Å
193W94.4Very high82.5Confident24 Ų2451.4 Ų51.49%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-77.8131.9178.4172.876.1000111.6V13 V17 N195 N206 I208 W264 K266V13-W193 HydrophobicContact CG1-CZ2 4.48Å; V13-W193 HydrophobicContact CG2-CG 4.11Å; V17-W193 HydrophobicContact CB-CZ2 4.35Å; V17-W193 HydrophobicContact CG1-CZ2 3.56Å; V17-W193 HydrophobicContact CG2-CH2 4.32Å; V17-W193 HydrophobicContact CG2-CZ2 4.04Å; W193-N195 HydrophobicContact CH2-CB 3.59Å; W193-N195 HydrophobicContact CZ2-CB 3.63Å; W193-N195 HydrophobicContact CZ3-CB 4.3Å; W193-N206 PolarHBondContact NE1-OD1 3.27Å; W193-I208 HydrophobicContact CB-CD1 4.17Å; W193-W264 HydrophobicContact CZ3-CZ3 4.46Å; W193-K266 PolarHBondContact O-NZ 3.11Å
194L90.6Very high81.7Confident1 Ų151.1 Ų51.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-117.8125.9-176.2-49-176.8000109.4E192 F196 Y207 A209 V219 W264 L272 M286E192-L194 HydrophobicContact CG-CD2 4.24Å; L194-F196 PolarHBondContact O-N 2.74Å; L194-Y207 PolarHBondContact N-O 2.89Å; L194-Y207 PolarHBondContact O-N 2.76Å; L194-A209 HydrophobicContact CD1-CB 3.77Å; L194-A209 HydrophobicContact CD2-CB 4.4Å; L194-A209 HydrophobicContact CG-CB 4.17Å; L194-V219 HydrophobicContact CD1-CG1 4.17Å; L194-W264 HydrophobicContact CD2-CB 3.35Å; L194-W264 HydrophobicContact CD2-CD2 3.95Å; L194-W264 HydrophobicContact CD2-CG 3.33Å; L194-L272 HydrophobicContact CD2-CD1 3.87Å; L194-M286 HydrophobicContact CD1-CE 3.76Å
195N86.7Confident81.3Confident20 Ų2050.7 Ų50.711%0.10730%0.295CS..  trans-97.469.5163.3-166-21.8000108.3W193 T204 G205 W264 R269W193-N195 HydrophobicContact CH2-CB 3.59Å; W193-N195 HydrophobicContact CZ2-CB 3.63Å; W193-N195 HydrophobicContact CZ3-CB 4.3Å; N195-T204 WeakPolarHBondContact OD1-CA 3.29Å; N195-T204 WeakPolarHBondContact OD1-CB 3.26Å; N195-G205 WeakPolarHBondContact CA-O 3.32Å; N195-G205 PolarHBondContact OD1-N 3.32Å; N195-G205 PolarHBondContact OD1-O 3Å; N195-W264 HydrophobicContact CB-CH2 3.68Å; N195-W264 HydrophobicContact CB-CZ2 4.49Å; N195-W264 HydrophobicContact CB-CZ3 4.02Å; N195-W264 WeakPolarHBondContact O-CZ2 3.14Å; N195-R269 VanDerWaalsContact CB-NH2 3.32Å; N195-R269 PolarHBondContact ND2-NH2 3Å; N195-R269 PolarHBondContact O-NE 3.29Å; N195-R269 PolarHBondContact O-NH2 3.42Å; N195-R269 PolarHBondContact OD1-NH2 3.34Å
196F80.9Confident81.5Confident21 Ų2147 Ų479%0.09227%0.27CS..  trans-144.5120.1-179.3170.1-97000108.6L194 P198 Y207 W264 R269 N270 M286L194-F196 PolarHBondContact O-N 2.74Å; F196-P198 HydrophobicContact CE1-CB 3.96Å; F196-Y207 WeakPolarHBondContact O-CD2 3.46Å; F196-Y207 WeakPolarHBondContact O-CE2 3.16Å; F196-W264 HydrophobicContact CB-CZ2 4.49Å; F196-R269 HydrophobicContact CD2-CB 4.25Å; F196-R269 WeakPolarHBondContact CD2-O 3.36Å; F196-N270 HydrophobicContact CD2-CB 4.43Å; F196-N270 HydrophobicContact CE2-CB 3.86Å; F196-N270 HydrophobicContact CZ-CB 4.36Å; F196-M286 HydrophobicContact CD1-CB 3.76Å; F196-M286 HydrophobicContact CD1-CG 4.45Å; F196-M286 HydrophobicContact CE1-CB 3.33Å; F196-M286 HydrophobicContact CE1-CG 4.46Å; F196-M286 HydrophobicContact CZ-CB 3.82Å
197D78.7Confident81.6Confident27 Ų2747.3 Ų47.314%0.14427%0.267CS..  trans-91.2122.7169.4-175.1-3.2000108.7S199 S203 Y207D197-S199 PolarHBondContact O-N 3Å; D197-S199 WeakPolarHBondContact OD1-CB 3.48Å; D197-S199 PolarHBondContact OD1-N 3.07Å; D197-S199 PolarHBondContact OD1-OG 2.77Å; D197-S199 PolarHBondContact OD2-OG 3.32Å; D197-S203 PolarHBondContact OD2-OG 3.37Å; D197-S203 VanDerWaalsContact OD2-OG 3.11Å; D197-Y207 HydrophobicContact CB-CE2 4.23Å
198P69.1Low81.7Confident48 Ų4843.6 Ų43.631%0.31225%0.253SS..SBendtrans-66.9-15.6172.429.7-37.4000113.2F196 F232F196-P198 HydrophobicContact CE1-CB 3.96Å; P198-F232 HydrophobicContact CB-CD1 4.34Å; P198-F232 HydrophobicContact CB-CE1 4.07Å; P198-F232 HydrophobicContact CG-CD1 3.91Å; P198-F232 HydrophobicContact CG-CE1 3.64Å
199S70.3Confident81.7Confident47 Ų4743.6 Ų43.633%0.32925%0.253SS..SBendtrans-72.7147.9175.597.30000111.2D197 D201D197-S199 PolarHBondContact O-N 3Å; D197-S199 WeakPolarHBondContact OD1-CB 3.48Å; D197-S199 PolarHBondContact OD1-N 3.07Å; D197-S199 PolarHBondContact OD1-OG 2.77Å; D197-S199 PolarHBondContact OD2-OG 3.32Å; S199-D201 PolarHBondContact O-N 2.74Å
200P59.5Low81.8Confident131 Ų13141.4 Ų41.485%0.85124%0.241SC*.SBendtrans-74.5-3.2-175.929.2-34.1000114.3
201D61Low81.8Confident123 Ų12341.2 Ų41.266%0.65824%0.24SC*.SBendtrans-79.8122.1172.1-69.4-30.5000107.3S199 S203S199-D201 PolarHBondContact O-N 2.74Å; D201-S203 PolarHBondContact O-N 2.86Å
202D54.5Low81.7Confident178 Ų17840.7 Ų40.795%0.95224%0.237SC*.  trans-68.142.7-165.9-159.320.4000114.2
203S65.2Low81.5Confident63 Ų6344 Ų4444%0.44125%0.253SS..  trans-92.5142.4-172.992.40000111.1D197 D201 G205D197-S203 PolarHBondContact OD2-OG 3.37Å; D197-S203 VanDerWaalsContact OD2-OG 3.11Å; D201-S203 PolarHBondContact O-N 2.86Å; S203-G205 PolarHBondContact O-N 3.39Å
204T75.2Confident81.3Confident101 Ų10144.2 Ų44.262%0.6226%0.257SS*.  trans-72.4112.2167.549.30000108.6N195N195-T204 WeakPolarHBondContact OD1-CA 3.29Å; N195-T204 WeakPolarHBondContact OD1-CB 3.26Å
205G82.1Confident81.3Confident9 Ų945.2 Ų45.29%0.09326%0.264CS..  trans-92165.9176.600000113.7N195 S203N195-G205 WeakPolarHBondContact CA-O 3.32Å; N195-G205 PolarHBondContact OD1-N 3.32Å; N195-G205 PolarHBondContact OD1-O 3Å; S203-G205 PolarHBondContact O-N 3.39Å
206N89.6Confident81.6Confident1 Ų144.5 Ų44.51%0.00526%0.26CS..  trans-116.978.9176.6-171.725.9000110.5V17 W193 L222 D223V17-N206 HydrophobicContact CG1-CB 4.11Å; W193-N206 PolarHBondContact NE1-OD1 3.27Å; N206-L222 WeakPolarHBondContact ND2-CB 3.45Å; N206-L222 WeakPolarHBondContact O-CB 3.49Å; N206-L222 PolarHBondContact O-N 3.26Å; N206-D223 WeakPolarHBondContact CB-OD2 3.38Å; N206-D223 PolarHBondContact ND2-OD1 2.84Å
207Y91.6Very high82.2Confident22 Ų2243.5 Ų43.59%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-111.1155.1-175.2-66.9-85.6000111.8L194 F196 D197 V219 W220 D221 V231L194-Y207 PolarHBondContact N-O 2.89Å; L194-Y207 PolarHBondContact O-N 2.76Å; F196-Y207 WeakPolarHBondContact O-CD2 3.46Å; F196-Y207 WeakPolarHBondContact O-CE2 3.16Å; D197-Y207 HydrophobicContact CB-CE2 4.23Å; Y207-V219 HydrophobicContact CD1-CG1 4.2Å; Y207-V219 HydrophobicContact CG-CG1 4.44Å; Y207-W220 CarbonylContact C-O 3.1Å; Y207-W220 VanDerWaalsContact CA-O 3.3Å; Y207-W220 WeakPolarHBondContact CA-O 3.32Å; Y207-W220 WeakPolarHBondContact CD1-O 3.26Å; Y207-D221 HydrophobicContact CD1-CB 4.01Å; Y207-D221 HydrophobicContact CE1-CB 3.64Å; Y207-D221 VanDerWaalsContact CE1-OD2 3.28Å; Y207-D221 WeakPolarHBondContact CE1-OD2 3.31Å; Y207-D221 PolarHBondContact OH-OD2 2.77Å; Y207-V231 HydrophobicContact CE1-CB 4.44Å; Y207-V231 HydrophobicContact CE1-CG1 4.35Å; Y207-V231 HydrophobicContact CE1-CG2 4.06Å
208I93.9Very high82.8Confident0 Ų042.8 Ų42.80%025%0.251CS..EExtended strand (participates in β ladder)trans-125.5126.7172.3-168.881.8000109.3A11 V153 L164 V191 E192 W193 V210 V219 W220 L222A11-I208 HydrophobicContact CB-CD1 4.33Å; V153-I208 HydrophobicContact CB-CD1 4.31Å; V153-I208 HydrophobicContact CG1-CD1 4.27Å; V153-I208 HydrophobicContact CG1-CG1 4.19Å; V153-I208 HydrophobicContact CG2-CD1 4.45Å; L164-I208 HydrophobicContact CD2-CG2 3.8Å; V191-I208 HydrophobicContact CB-CD1 4.18Å; V191-I208 HydrophobicContact CB-CG1 4.26Å; E192-I208 WeakPolarHBondContact O-CD1 3.35Å; W193-I208 HydrophobicContact CB-CD1 4.17Å; I208-V210 HydrophobicContact CG2-CG2 4.44Å; I208-V219 WeakPolarHBondContact O-CA 3.49Å; I208-W220 HydrophobicContact CG2-CB 3.75Å; I208-W220 PolarHBondContact N-O 2.95Å; I208-W220 PolarHBondContact O-N 2.96Å; I208-L222 HydrophobicContact CB-CD1 4.18Å; I208-L222 HydrophobicContact CB-CD2 4.16Å; I208-L222 HydrophobicContact CB-CG 4.14Å; I208-L222 HydrophobicContact CG2-CD2 3.7Å; I208-L222 HydrophobicContact CG2-CG 4.04Å
209A94.9Very high84Confident0 Ų040.5 Ų40.50%024%0.237CC..EExtended strand (participates in β ladder)trans-91.1131.1167.600000109.6V191 E192 L194 I217 V219 L262 L272V191-A209 WeakPolarHBondContact CA-O 3.23Å; E192-A209 PolarHBondContact N-O 3.14Å; E192-A209 PolarHBondContact O-N 2.85Å; L194-A209 HydrophobicContact CD1-CB 3.77Å; L194-A209 HydrophobicContact CD2-CB 4.4Å; L194-A209 HydrophobicContact CG-CB 4.17Å; A209-I217 HydrophobicContact CB-CG2 4.16Å; A209-V219 HydrophobicContact CB-CG2 4.14Å; A209-L262 HydrophobicContact CB-CD1 3.87Å; A209-L272 HydrophobicContact CB-CD2 4.07Å
210V95.6Very high85Confident0 Ų038.5 Ų38.50%022%0.222CC..EExtended strand (participates in β ladder)trans-114.6118.9-179.1-1750000108.9L164 L184 P188 V191 I208 E218L164-V210 HydrophobicContact CD1-CG2 4.33Å; L164-V210 HydrophobicContact CD2-CG2 4.08Å; L184-V210 HydrophobicContact CD1-CG1 4.12Å; L184-V210 HydrophobicContact CD2-CG1 4.43Å; P188-V210 HydrophobicContact CB-CG1 4.17Å; V191-V210 HydrophobicContact CG1-CG1 4.32Å; V191-V210 HydrophobicContact CG1-CG2 4.21Å; I208-V210 HydrophobicContact CG2-CG2 4.44Å; V210-E218 PolarHBondContact N-O 3.32Å; V210-E218 PolarHBondContact O-N 2.92Å; V210-E218 VanDerWaalsContact O-N 3.14Å
211G94.1Very high86.5Confident0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-91.4127.4168.200000108.8L189 S190 L262L189-G211 PolarHBondContact N-O 3.48Å; S190-G211 PolarHBondContact N-O 2.9Å; S190-G211 VanDerWaalsContact N-O 3.14Å; S190-G211 PolarHBondContact O-N 3.05Å; G211-L262 VanDerWaalsContact N-CD1 3.29Å
212N92.4Very high87.8Confident1 Ų127.3 Ų27.31%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-129.4-177.9-176.264.930000111.2A186 Y187 T214 V216 V259A186-N212 HydrophobicContact CB-CB 4.12Å; Y187-N212 CarbonylContact O-C 3.53Å; Y187-N212 VanDerWaalsContact O-CA 3.26Å; Y187-N212 WeakPolarHBondContact O-CA 3.47Å; Y187-N212 WeakPolarHBondContact O-CB 3.32Å; N212-T214 PolarHBondContact O-N 3.18Å; N212-T214 VanDerWaalsContact O-O 3.09Å; N212-T214 WeakPolarHBondContact OD1-CA 3.36Å; N212-T214 WeakPolarHBondContact OD1-CB 3.44Å; N212-T214 WeakPolarHBondContact OD1-CG2 3.47Å; N212-T214 PolarHBondContact OD1-N 2.89Å; N212-T214 PolarHBondContact OD1-O 2.86Å; N212-T214 PolarHBondContact OD1-OG1 2.94Å; N212-V216 PolarHBondContact OD1-O 2.95Å; N212-V259 PolarHBondContact O-N 2.86Å
213M90.9Very high89.3Confident108 Ų10820.1 Ų20.153%0.53212%0.116SC..SBendtrans-64.5-4.7176.8-73.9-68.5-63.800114.4Y187 L189 A258Y187-M213 HydrophobicContact CD1-CG 4.34Å; Y187-M213 HydrophobicContact CG-CG 4.42Å; Y187-M213 PolarHBondContact O-N 3.14Å; L189-M213 HydrophobicContact CD1-CG 4.23Å; L189-M213 HydrophobicContact CD1-SD 3.71Å; L189-M213 HydrophobicContact CD2-CG 4.5Å; L189-M213 HydrophobicContact CD2-SD 4.12Å; L189-M213 HydrophobicContact CG-CG 4.39Å; L189-M213 HydrophobicContact CG-SD 4.26Å; M213-A258 HydrophobicContact SD-CB 4.22Å
214T91.5Very high90.2Very high28 Ų2819.1 Ų19.117%0.17211%0.106CC..SBendtrans-96.6161.1174.486.50000110.2A186 N212 V216A186-T214 HydrophobicContact CB-CG2 3.62Å; N212-T214 PolarHBondContact O-N 3.18Å; N212-T214 VanDerWaalsContact O-O 3.09Å; N212-T214 WeakPolarHBondContact OD1-CA 3.36Å; N212-T214 WeakPolarHBondContact OD1-CB 3.44Å; N212-T214 WeakPolarHBondContact OD1-CG2 3.47Å; N212-T214 PolarHBondContact OD1-N 2.89Å; N212-T214 PolarHBondContact OD1-O 2.86Å; N212-T214 PolarHBondContact OD1-OG1 2.94Å; T214-V216 PolarHBondContact O-N 3.43Å; T214-V216 VanDerWaalsContact O-N 3.15Å; T214-V216 PolarHBondContact OG1-N 3.24Å; T214-V216 PolarHBondContact OG1-O 3.36Å
215P90.3Very high90.7Very high21 Ų2114.6 Ų14.614%0.1368%0.078CC..SBendtrans-74.75176.530.3-35.7000114.2H255 D257P215-H255 HydrophobicContact CB-CB 4.01Å; P215-H255 VanDerWaalsContact CB-O 3.23Å; P215-H255 WeakPolarHBondContact CB-O 3.35Å; P215-D257 WeakPolarHBondContact CA-O 3.45Å
216V91.5Very high90.7Very high6 Ų617.8 Ų17.84%0.0369%0.093CC..  trans-106.6133.1-175.9179.60000109.1N212 T214 T233 L234 K237N212-V216 PolarHBondContact OD1-O 2.95Å; T214-V216 PolarHBondContact O-N 3.43Å; T214-V216 VanDerWaalsContact O-N 3.15Å; T214-V216 PolarHBondContact OG1-N 3.24Å; T214-V216 PolarHBondContact OG1-O 3.36Å; V216-T233 HydrophobicContact CG1-CG2 4.15Å; V216-L234 WeakPolarHBondContact CA-O 3.27Å; V216-K237 HydrophobicContact CG2-CG 3.65Å
217I93.3Very high90.4Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-93126.7172.8-54.6161.9000107.1A209 T233 L234 V259 L262 L272 W284A209-I217 HydrophobicContact CB-CG2 4.16Å; I217-T233 CarbonylContact O-C 3.57Å; I217-T233 WeakPolarHBondContact O-CA 3.47Å; I217-L234 HydrophobicContact CB-CB 4.15Å; I217-L234 HydrophobicContact CB-CD1 4.34Å; I217-L234 HydrophobicContact CD1-CB 4.44Å; I217-L234 HydrophobicContact CD1-CD1 4.36Å; I217-L234 HydrophobicContact CG2-CD1 4.33Å; I217-L234 PolarHBondContact N-O 3.09Å; I217-L234 PolarHBondContact O-N 3.42Å; I217-V259 HydrophobicContact CG1-CG1 4.23Å; I217-V259 HydrophobicContact CG1-CG2 3.98Å; I217-L262 HydrophobicContact CD1-CD2 3.8Å; I217-L262 HydrophobicContact CG1-CD2 4.14Å; I217-L262 HydrophobicContact CG2-CD1 3.98Å; I217-L262 HydrophobicContact CG2-CD2 4.19Å; I217-L272 HydrophobicContact CG2-CD2 4.42Å; I217-W284 HydrophobicContact CD1-CZ2 4.29Å
218E92.9Very high89.9Confident11 Ų1123 Ų235%0.05112%0.124CC..EExtended strand (participates in β ladder)trans-102.6131.4179.8-64.1174.716500108.9S185 V210 P230 T233S185-E218 PolarHBondContact OG-OE1 2.66Å; V210-E218 PolarHBondContact N-O 3.32Å; V210-E218 PolarHBondContact O-N 2.92Å; V210-E218 VanDerWaalsContact O-N 3.14Å; E218-P230 HydrophobicContact CB-CB 4.16Å; E218-P230 HydrophobicContact CB-CG 4.45Å; E218-P230 HydrophobicContact CG-CG 4.45Å; E218-T233 HydrophobicContact CG-CG2 4.28Å
219V92.9Very high89.5Confident0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-112.7123.8176.6-174.30000110.1L194 Y207 I208 A209 P230 V231 F232 M286L194-V219 HydrophobicContact CD1-CG1 4.17Å; Y207-V219 HydrophobicContact CD1-CG1 4.2Å; Y207-V219 HydrophobicContact CG-CG1 4.44Å; I208-V219 WeakPolarHBondContact O-CA 3.49Å; A209-V219 HydrophobicContact CB-CG2 4.14Å; V219-P230 CarbonylContact O-C 3.47Å; V219-P230 WeakPolarHBondContact O-CB 3.49Å; V219-V231 PolarHBondContact O-N 3.4Å; V219-F232 HydrophobicContact CB-CD1 4.12Å; V219-F232 HydrophobicContact CB-CD2 4.16Å; V219-F232 HydrophobicContact CB-CE1 3.73Å; V219-F232 HydrophobicContact CB-CE2 3.8Å; V219-F232 HydrophobicContact CB-CG 4.32Å; V219-F232 HydrophobicContact CB-CZ 3.57Å; V219-F232 HydrophobicContact CG1-CD1 4.34Å; V219-F232 HydrophobicContact CG1-CE1 3.55Å; V219-F232 HydrophobicContact CG1-CE2 4.23Å; V219-F232 HydrophobicContact CG1-CZ 3.49Å; V219-F232 VanDerWaalsContact CG1-CZ 3.49Å; V219-F232 HydrophobicContact CG2-CD2 4.05Å; V219-F232 HydrophobicContact CG2-CE1 4.3Å; V219-F232 HydrophobicContact CG2-CE2 3.47Å; V219-F232 VanDerWaalsContact CG2-CE2 3.47Å; V219-F232 HydrophobicContact CG2-CZ 3.62Å; V219-F232 PolarHBondContact N-O 3.2Å; V219-M286 HydrophobicContact CG2-CE 4.01Å
220W92.8Very high89.3Confident5 Ų530 Ų302%0.01916%0.16CC..EExtended strand (participates in β ladder)trans-114.8146.4-176.1-6085.5000110.3I182 L184 Y207 I208 E229 P230I182-W220 HydrophobicContact CD1-CB 4.48Å; I182-W220 HydrophobicContact CD1-CE3 4.46Å; I182-W220 HydrophobicContact CG2-CD2 3.92Å; I182-W220 HydrophobicContact CG2-CE3 3.49Å; I182-W220 VanDerWaalsContact CG2-CE3 3.49Å; I182-W220 HydrophobicContact CG2-CH2 3.82Å; I182-W220 HydrophobicContact CG2-CZ2 4.24Å; I182-W220 HydrophobicContact CG2-CZ3 3.42Å; I182-W220 VanDerWaalsContact CG2-CZ3 3.42Å; L184-W220 HydrophobicContact CD2-CZ2 4.11Å; Y207-W220 CarbonylContact C-O 3.1Å; Y207-W220 VanDerWaalsContact CA-O 3.3Å; Y207-W220 WeakPolarHBondContact CA-O 3.32Å; Y207-W220 WeakPolarHBondContact CD1-O 3.26Å; I208-W220 HydrophobicContact CG2-CB 3.75Å; I208-W220 PolarHBondContact N-O 2.95Å; I208-W220 PolarHBondContact O-N 2.96Å; W220-E229 WeakPolarHBondContact CZ3-O 3.46Å; W220-P230 HydrophobicContact CD2-CB 4.09Å; W220-P230 HydrophobicContact CE3-CB 4.46Å; W220-P230 HydrophobicContact CZ2-CB 4.12Å; W220-P230 HydrophobicContact CZ2-CG 4.4Å
221D90.3Very high88.9Confident20 Ų2033.3 Ų33.311%0.10718%0.18CC..EExtended strand (participates in β ladder)trans-87.8126.4171.1-159.4-36.3000108.6Y207 D223 I224 V231Y207-D221 HydrophobicContact CD1-CB 4.01Å; Y207-D221 HydrophobicContact CE1-CB 3.64Å; Y207-D221 VanDerWaalsContact CE1-OD2 3.28Å; Y207-D221 WeakPolarHBondContact CE1-OD2 3.31Å; Y207-D221 PolarHBondContact OH-OD2 2.77Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 WeakPolarHBondContact OD1-CB 3.29Å; D221-D223 PolarHBondContact OD1-N 2.94Å; D221-I224 HydrophobicContact CB-CB 4.28Å; D221-I224 HydrophobicContact CB-CD1 3.81Å; D221-I224 HydrophobicContact CB-CG1 3.92Å; D221-V231 HydrophobicContact CB-CG2 3.85Å
222L88.2Confident88.5Confident0 Ų035.1 Ų35.10%019%0.187CC..THydrogen-bonded Turntrans-84-14.7179.4-66.7176.2000112.5V13 V153 V166 N206 I208V13-L222 HydrophobicContact CG2-CD1 3.8Å; V153-L222 HydrophobicContact CG2-CD1 3.77Å; V153-L222 HydrophobicContact CG2-CD2 3.87Å; V166-L222 HydrophobicContact CG2-CD2 3.78Å; N206-L222 WeakPolarHBondContact ND2-CB 3.45Å; N206-L222 WeakPolarHBondContact O-CB 3.49Å; N206-L222 PolarHBondContact O-N 3.26Å; I208-L222 HydrophobicContact CB-CD1 4.18Å; I208-L222 HydrophobicContact CB-CD2 4.16Å; I208-L222 HydrophobicContact CB-CG 4.14Å; I208-L222 HydrophobicContact CG2-CD2 3.7Å; I208-L222 HydrophobicContact CG2-CG 4.04Å
223D86.4Confident88.4Confident26 Ų2638.5 Ų38.514%0.13921%0.208CC..THydrogen-bonded Turntrans-86.51.5177.1-63.3-25.3000111.9A18 K19 P22 D23 N206 D221A18-D223 WeakPolarHBondContact CA-OD1 3.45Å; K19-D223 HydrophobicContact CB-CB 3.87Å; K19-D223 HydrophobicContact CD-CB 4.5Å; K19-D223 PolarHBondContact N-OD1 3.1Å; P22-D223 CarbonylContact C-O 3.49Å; P22-D223 WeakPolarHBondContact CA-O 3.46Å; P22-D223 WeakPolarHBondContact CB-O 3.43Å; D23-D223 PolarHBondContact N-O 3.18Å; N206-D223 WeakPolarHBondContact CB-OD2 3.38Å; N206-D223 PolarHBondContact ND2-OD1 2.84Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 WeakPolarHBondContact OD1-CB 3.29Å; D221-D223 PolarHBondContact OD1-N 2.94Å
224I84.8Confident88.2Confident42 Ų4233.3 Ų33.322%0.21518%0.183CC..EExtended strand (participates in β ladder)trans-114.3119.5178.3-57.4-179.7000110D23 V25 D221D23-I224 WeakPolarHBondContact O-CA 3.39Å; V25-I224 HydrophobicContact CG2-CG2 3.36Å; D221-I224 HydrophobicContact CB-CB 4.28Å; D221-I224 HydrophobicContact CB-CD1 3.81Å; D221-I224 HydrophobicContact CB-CG1 3.92Å
225V85.3Confident87.8Confident6 Ų633 Ų334%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-92.9145.6177.4-179.50000110.1P22 D23 V25 H180 S227P22-V225 HydrophobicContact CB-CG2 3.6Å; P22-V225 HydrophobicContact CG-CG2 4.4Å; D23-V225 PolarHBondContact O-N 2.8Å; V25-V225 PolarHBondContact N-O 2.85Å; H180-V225 HydrophobicContact CB-CG1 3.91Å; H180-V225 HydrophobicContact CB-CG2 4.31Å; V225-S227 VanDerWaalsContact C-N 3.29Å; V225-S227 PolarHBondContact O-N 3.45Å
226D81.5Confident87.1Confident76 Ų7634.3 Ų34.341%0.40619%0.194SC..THydrogen-bonded Turntrans62.228.6-178.9-59.8-35.5000114.4K24 L228K24-D226 VanDerWaalsContact CE-OD2 3.32Å; K24-D226 WeakPolarHBondContact CE-OD2 3.38Å; D226-L228 PolarHBondContact O-N 2.94Å
227S83.3Confident86Confident25 Ų2540.5 Ų40.518%0.17522%0.221CC..  trans-65.6129.8173-168.50000111.3V225 E229V225-S227 VanDerWaalsContact C-N 3.29Å; V225-S227 PolarHBondContact O-N 3.45Å; S227-E229 PolarHBondContact OG-O 2.95Å
228L81.8Confident84.3Confident108 Ų10845.2 Ų45.257%0.56525%0.246SC*.  trans-93.9-21.6177.6-64.1-176.8000113.5L27 L35 D226L27-L228 HydrophobicContact CD1-CD1 3.37Å; L27-L228 HydrophobicContact CD1-CG 4.26Å; L35-L228 HydrophobicContact CD1-CD1 3.98Å; D226-L228 PolarHBondContact O-N 2.94Å
229E85.8Confident82.1Confident113 Ų11348.9 Ų48.953%0.52827%0.272SS..SBendtrans-131.7146-176.5-65.4-169.9154.100110.3W220 S227W220-E229 WeakPolarHBondContact CZ3-O 3.46Å; S227-E229 PolarHBondContact OG-O 2.95Å
230P88.9Confident79.6Confident35 Ų3559.2 Ų59.223%0.22732%0.317CS..  trans-66.2149.7174.128.8-34.9000110.4E218 V219 W220 F232 T233E218-P230 HydrophobicContact CB-CB 4.16Å; E218-P230 HydrophobicContact CB-CG 4.45Å; E218-P230 HydrophobicContact CG-CG 4.45Å; V219-P230 CarbonylContact O-C 3.47Å; V219-P230 WeakPolarHBondContact O-CB 3.49Å; W220-P230 HydrophobicContact CD2-CB 4.09Å; W220-P230 HydrophobicContact CE3-CB 4.46Å; W220-P230 HydrophobicContact CZ2-CB 4.12Å; W220-P230 HydrophobicContact CZ2-CG 4.4Å; P230-F232 VanDerWaalsContact C-N 3.28Å; P230-F232 PolarHBondContact O-N 3.06Å; P230-T233 HydrophobicContact CB-CG2 4.32Å; P230-T233 HydrophobicContact CG-CG2 3.61Å
231V87.3Confident77.2Confident69 Ų6967.5 Ų67.542%0.41835%0.354SS..SBendtrans-62.3-41.5178.8-178.30000110.6Y207 V219 D221Y207-V231 HydrophobicContact CE1-CB 4.44Å; Y207-V231 HydrophobicContact CE1-CG1 4.35Å; Y207-V231 HydrophobicContact CE1-CG2 4.06Å; V219-V231 PolarHBondContact O-N 3.4Å; D221-V231 HydrophobicContact CB-CG2 3.85Å
232F86.4Confident74.7Confident37 Ų3776.3 Ų76.316%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-154.2163.7170.461.6-83.4000110.9P198 V219 P230 L234 M286P198-F232 HydrophobicContact CB-CD1 4.34Å; P198-F232 HydrophobicContact CB-CE1 4.07Å; P198-F232 HydrophobicContact CG-CD1 3.91Å; P198-F232 HydrophobicContact CG-CE1 3.64Å; V219-F232 HydrophobicContact CB-CD1 4.12Å; V219-F232 HydrophobicContact CB-CD2 4.16Å; V219-F232 HydrophobicContact CB-CE1 3.73Å; V219-F232 HydrophobicContact CB-CE2 3.8Å; V219-F232 HydrophobicContact CB-CG 4.32Å; V219-F232 HydrophobicContact CB-CZ 3.57Å; V219-F232 HydrophobicContact CG1-CD1 4.34Å; V219-F232 HydrophobicContact CG1-CE1 3.55Å; V219-F232 HydrophobicContact CG1-CE2 4.23Å; V219-F232 HydrophobicContact CG1-CZ 3.49Å; V219-F232 VanDerWaalsContact CG1-CZ 3.49Å; V219-F232 HydrophobicContact CG2-CD2 4.05Å; V219-F232 HydrophobicContact CG2-CE1 4.3Å; V219-F232 HydrophobicContact CG2-CE2 3.47Å; V219-F232 VanDerWaalsContact CG2-CE2 3.47Å; V219-F232 HydrophobicContact CG2-CZ 3.62Å; V219-F232 PolarHBondContact N-O 3.2Å; P230-F232 VanDerWaalsContact C-N 3.28Å; P230-F232 PolarHBondContact O-N 3.06Å; F232-L234 HydrophobicContact CD2-CD2 4.15Å; F232-L234 HydrophobicContact CD2-CG 4.44Å; F232-L234 HydrophobicContact CE2-CD2 4.13Å; F232-L234 HydrophobicContact CE2-CG 4.36Å; F232-M286 HydrophobicContact CE2-CE 3.34Å; F232-M286 HydrophobicContact CE2-SD 4.36Å; F232-M286 HydrophobicContact CZ-CE 3.42Å; F232-M286 VanDerWaalsContact CZ-CE 3.42Å
233T89.8Confident72.3Confident72 Ų7286.3 Ų86.344%0.44243%0.434SS..EExtended strand (participates in β ladder)trans-126.3145.5179.454.70000109.9V216 I217 E218 P230V216-T233 HydrophobicContact CG1-CG2 4.15Å; I217-T233 CarbonylContact O-C 3.57Å; I217-T233 WeakPolarHBondContact O-CA 3.47Å; E218-T233 HydrophobicContact CG-CG2 4.28Å; P230-T233 HydrophobicContact CB-CG2 4.32Å; P230-T233 HydrophobicContact CG-CG2 3.61Å
234L86.4Confident69.9Low0 Ų094.6 Ų94.60%047%0.469CS..EExtended strand (participates in β ladder)trans-112.4131.5175-51165.3000109V216 I217 F232 L272 W284 M286V216-L234 WeakPolarHBondContact CA-O 3.27Å; I217-L234 HydrophobicContact CB-CB 4.15Å; I217-L234 HydrophobicContact CB-CD1 4.34Å; I217-L234 HydrophobicContact CD1-CB 4.44Å; I217-L234 HydrophobicContact CD1-CD1 4.36Å; I217-L234 HydrophobicContact CG2-CD1 4.33Å; I217-L234 PolarHBondContact N-O 3.09Å; I217-L234 PolarHBondContact O-N 3.42Å; F232-L234 HydrophobicContact CD2-CD2 4.15Å; F232-L234 HydrophobicContact CD2-CG 4.44Å; F232-L234 HydrophobicContact CE2-CD2 4.13Å; F232-L234 HydrophobicContact CE2-CG 4.36Å; L234-L272 HydrophobicContact CD1-CD2 3.83Å; L234-W284 HydrophobicContact CB-CD2 4.03Å; L234-W284 HydrophobicContact CB-CE3 3.79Å; L234-W284 HydrophobicContact CB-CH2 4.3Å; L234-W284 HydrophobicContact CB-CZ3 3.93Å; L234-W284 HydrophobicContact CD1-CB 4.21Å; L234-W284 HydrophobicContact CD1-CD2 4.33Å; L234-W284 HydrophobicContact CD1-CG 4.14Å; L234-W284 HydrophobicContact CD2-CE3 4.35Å; L234-W284 HydrophobicContact CG-CE3 4.49Å; L234-M286 HydrophobicContact CD1-CE 3.93Å; L234-M286 HydrophobicContact CD1-SD 3.35Å; L234-M286 WeakPolarHBondContact CD1-SD 3.44Å; L234-M286 HydrophobicContact CD2-SD 4.11Å; L234-M286 HydrophobicContact CG-SD 4.3Å
235G83.3Confident67.9Low22 Ų22102.7 Ų102.723%0.22750%0.503CS..SBendtrans93.8178.6-175.700000112.8E253G235-E253 CarbonylContact C-O 3.57Å; G235-E253 VanDerWaalsContact CA-O 3.29Å; G235-E253 WeakPolarHBondContact CA-O 3.5Å
236S77Confident65.8Low47 Ų47106.3 Ų106.333%0.32954%0.541SS..  trans-132.2137.7-179.461.60000110.6L238 E253S236-L238 PolarHBondContact O-N 3.36Å; S236-E253 PolarHBondContact N-O 2.87Å
237K67.4Low63.6Low136 Ų136112.2 Ų112.259%0.59156%0.564SS**  trans-65.4128.5171-64.8-173179.4178.20108.2V216 S239V216-K237 HydrophobicContact CG2-CG 3.65Å; K237-S239 PolarHBondContact O-N 2.9Å
238L57Low61.3Low99 Ų99121.3 Ų121.352%0.51860%0.6SS.*  trans-64.395.2172.6-72.8172.7000109.3S236 K240 A252 T256S236-L238 PolarHBondContact O-N 3.36Å; L238-K240 PolarHBondContact O-N 3.38Å; L238-A252 HydrophobicContact CD2-CB 3.94Å; L238-T256 HydrophobicContact CD1-CG2 4.32Å
239S47Very low59.2Low88 Ų88121.2 Ų121.262%0.61561%0.608SS**  trans-62122.4171.269.20000108.8K237 K241K237-S239 PolarHBondContact O-N 2.9Å; S239-K241 PolarHBondContact O-N 2.87Å
240K41.9Very low56.9Low217 Ų217120.9 Ų120.994%0.94362%0.618SS**  trans-69.161.7170.4-75.5179.4-178.9163.30110L238 K242L238-K240 PolarHBondContact O-N 3.38Å; K240-K242 PolarHBondContact O-N 2.77Å; K240-K242 VanDerWaalsContact O-N 3.11Å
241K41.7Very low54.8Low180 Ų180123.9 Ų123.978%0.78364%0.64SS**  trans-69112.8172.3-95.8179179.21640109.1S239 K243S239-K241 PolarHBondContact O-N 2.87Å; K241-K243 PolarHBondContact O-N 2.92Å
242K37.8Very low53.1Low205 Ų205122.7 Ų122.789%0.89164%0.637SS**  trans-39.3120.3170.4-146.5170.8-171.6168.30109.4K240 K244K240-K242 PolarHBondContact O-N 2.77Å; K240-K242 VanDerWaalsContact O-N 3.11Å; K242-K244 PolarHBondContact O-N 2.83Å
243K38Very low52.3Low209 Ų209126.2 Ų126.291%0.90965%0.654SS**  trans-54.987.6-171.2-154.3177-165.9171.40111.9K241 K245K241-K243 PolarHBondContact O-N 2.92Å; K243-K245 PolarHBondContact O-N 3.45Å
244K35.8Very low52.1Low201 Ų201123.4 Ų123.487%0.87464%0.64SS**  trans-84.7103.1167.3-148.5174.1-173.5175.40107.4K242 G246K242-K244 PolarHBondContact O-N 2.83Å; K244-G246 PolarHBondContact O-N 3.29Å
245K42.9Very low52.2Low211 Ų211123.5 Ų123.592%0.91764%0.64SS**THydrogen-bonded Turntrans-47.9120.5174.5-95.6-179.9172.2175.80109.5K243K243-K245 PolarHBondContact O-N 3.45Å
246G41.6Very low52.5Low82 Ų82126.3 Ų126.385%0.84565%0.653SS**THydrogen-bonded Turntrans131.65.9159.100000119K244K244-G246 PolarHBondContact O-N 3.29Å
247K34.1Very low53.1Low201 Ų201127.5 Ų127.587%0.87466%0.656SS**SBendtrans-130.5122.3169.5-126.9176.2179.9-178.60108.8S249K247-S249 PolarHBondContact O-N 3.16Å
248K34.9Very low54.4Low216 Ų216121.2 Ų121.294%0.93963%0.629SS**  trans-50.2113.4170.5-72.1-179.1177.6-179.90106.7S250K248-S250 PolarHBondContact O-N 3.33Å
249S38.3Very low56.2Low106 Ų106116.5 Ų116.574%0.74161%0.605SS**  trans-57.2134.1170.850.80000106.9K247 S251K247-S249 PolarHBondContact O-N 3.16Å; S249-S251 PolarHBondContact O-N 3.46Å
250S36.8Very low58.5Low106 Ų106113.6 Ų113.674%0.74158%0.582SS**  trans-44.1132.3163.144.70000108.1K248 A252K248-S250 PolarHBondContact O-N 3.33Å; S250-A252 PolarHBondContact O-N 2.82Å
251S45Very low61Low97 Ų97103.5 Ų103.568%0.67854%0.538SS*.  trans-45.9129.4166.242.90000107.5S249 E253S249-S251 PolarHBondContact O-N 3.46Å; S251-E253 PolarHBondContact O-N 2.94Å
252A52.8Low63.6Low44 Ų4495.1 Ų95.136%0.36450%0.502SS..  trans-55.6115.4172.600000107.1L238 S250 G254L238-A252 HydrophobicContact CD2-CB 3.94Å; S250-A252 PolarHBondContact O-N 2.82Å; A252-G254 VanDerWaalsContact C-N 3.27Å; A252-G254 PolarHBondContact O-N 2.8Å
253E69.4Low66.3Low111 Ų11185.8 Ų85.852%0.51946%0.462SS..SBendtrans-78.286.2174.4-68.1-177.8160.700105.8G235 S236 S251G235-E253 CarbonylContact C-O 3.57Å; G235-E253 VanDerWaalsContact CA-O 3.29Å; G235-E253 WeakPolarHBondContact CA-O 3.5Å; S236-E253 PolarHBondContact N-O 2.87Å; S251-E253 PolarHBondContact O-N 2.94Å
254G84Confident69Low13 Ų1376.1 Ų76.113%0.13442%0.42CS..SBendtrans136.5-166.7177.300000115.3A252A252-G254 VanDerWaalsContact C-N 3.27Å; A252-G254 PolarHBondContact O-N 2.8Å
255H89.1Confident71.7Confident2 Ų266.7 Ų66.71%0.00938%0.38CS..  trans-67.7161.2177.9-76.5-59000112.3P215 S274 S276 D278 T280 I282P215-H255 HydrophobicContact CB-CB 4.01Å; P215-H255 VanDerWaalsContact CB-O 3.23Å; P215-H255 WeakPolarHBondContact CB-O 3.35Å; H255-S274 PolarHBondContact CD2-OG 2.87Å; H255-S274 PolarHBondContact NE2-OG 3.31Å; H255-S276 WeakPolarHBondContact CE1-CB 3.3Å; H255-S276 WeakPolarHBondContact ND1-CB 3.45Å; H255-D278 VanDerWaalsContact CA-OD2 3.28Å; H255-D278 WeakPolarHBondContact CA-OD2 3.36Å; H255-D278 WeakPolarHBondContact CB-OD2 3.47Å; H255-D278 IonicContact CE1-OD1 3.73Å; H255-D278 IonicContact CG-OD2 3.18Å; H255-D278 IonicContact ND1-OD1 3.25Å; H255-D278 PolarHBondContact ND1-OD1 3.4Å; H255-D278 IonicContact ND1-OD2 2.75Å; H255-D278 PolarHBondContact ND1-OD2 3.31Å; H255-T280 PolarHBondContact CE1-O 3.02Å; H255-T280 PolarHBondContact CE1-OG1 2.97Å; H255-T280 PolarHBondContact ND1-OG1 2.86Å; H255-I282 VanDerWaalsContact CE1-CG1 3.49Å; H255-I282 WeakPolarHBondContact CE1-CG1 3.33Å; H255-I282 WeakPolarHBondContact ND1-CD1 3.36Å
256T89.1Confident73.8Confident81 Ų8161.4 Ų61.450%0.49736%0.357SS..SBendtrans-110.2-15.6175.659.90000113.8L238 D278L238-T256 HydrophobicContact CD1-CG2 4.32Å; T256-D278 PolarHBondContact N-OD2 2.73Å; T256-D278 WeakPolarHBondContact OG1-CB 3.44Å; T256-D278 PolarHBondContact OG1-OD2 3.29Å
257D91.3Very high76Confident73 Ų7361.9 Ų61.939%0.3934%0.339SS..SBendtrans-135179.1179.6-155.1-6.9000110.6P215 S276 A277 D278P215-D257 WeakPolarHBondContact CA-O 3.45Å; D257-S276 PolarHBondContact O-OG 2.81Å; D257-S276 VanDerWaalsContact O-OG 3.06Å; D257-A277 HydrophobicContact CB-CB 4.03Å; D257-D278 HydrophobicContact CB-CB 4.07Å
258A93.2Very high78.6Confident4 Ų456 Ų563%0.03332%0.316CS..  trans-49.1144.3-178.100000113.8L189 M213 L260 S276 A277L189-A258 HydrophobicContact CD1-CB 4.14Å; M213-A258 HydrophobicContact SD-CB 4.22Å; A258-L260 HydrophobicContact CB-CD2 4.46Å; A258-S276 VanDerWaalsContact O-CA 3.23Å; A258-S276 WeakPolarHBondContact O-CA 3.39Å; A258-S276 WeakPolarHBondContact O-CB 3.32Å; A258-S276 PolarHBondContact O-OG 2.94Å; A258-A277 PolarHBondContact O-N 2.97Å
259V95.3Very high81Confident0 Ų050.1 Ų50.10%029%0.288CS..EExtended strand (participates in β ladder)trans-93.5112.5175.4-179.10000108.9L189 N212 I217 L262 A275L189-V259 WeakPolarHBondContact CD1-O 3.37Å; N212-V259 PolarHBondContact O-N 2.86Å; I217-V259 HydrophobicContact CG1-CG1 4.23Å; I217-V259 HydrophobicContact CG1-CG2 3.98Å; V259-L262 HydrophobicContact CG1-CD2 3.82Å; V259-L262 HydrophobicContact CG1-CG 4.2Å; V259-A275 CarbonylContact C-O 3.54Å; V259-A275 WeakPolarHBondContact CA-O 3.46Å
260L94.9Very high83.4Confident27 Ų2747.3 Ų47.314%0.14127%0.265CS..EExtended strand (participates in β ladder)trans-85.5-40.5-172.1-58-177.1000111.9L189 S190 A258 A275 A277 K301 V302 Q303L189-L260 HydrophobicContact CD1-CD2 3.72Å; S190-L260 VanDerWaalsContact CB-O 3.28Å; S190-L260 WeakPolarHBondContact CB-O 3.36Å; S190-L260 PolarHBondContact OG-O 3.02Å; A258-L260 HydrophobicContact CB-CD2 4.46Å; L260-A275 PolarHBondContact N-O 2.84Å; L260-A277 HydrophobicContact CD1-CB 4.23Å; L260-A277 HydrophobicContact CG-CB 4.45Å; L260-K301 HydrophobicContact CD1-CB 4.21Å; L260-V302 WeakPolarHBondContact CD1-O 3.39Å; L260-Q303 HydrophobicContact CD1-CG 4.46Å
261D95.6Very high86Confident4 Ų443.8 Ų43.82%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-144.6157.1-179.2-156.223.6000111.9S190 A275 Q303 T304 L305 R347S190-D261 WeakPolarHBondContact OG-CA 3.27Å; D261-A275 HydrophobicContact CB-CB 4.41Å; D261-A275 PolarHBondContact N-O 3.11Å; D261-A275 PolarHBondContact O-N 3.03Å; D261-Q303 VanDerWaalsContact CB-O 3.29Å; D261-Q303 WeakPolarHBondContact CB-O 3.24Å; D261-T304 WeakPolarHBondContact OD2-CA 2.95Å; D261-T304 PolarHBondContact OD2-OG1 3.06Å; D261-L305 HydrophobicContact CB-CD2 4.18Å; D261-L305 WeakPolarHBondContact O-CD2 3.43Å; D261-L305 PolarHBondContact OD2-N 3.36Å; D261-R347 IonicContact OD1-CZ 3.84Å; D261-R347 IonicContact OD1-NH1 3.66Å; D261-R347 PolarHBondContact OD1-NH1 3.19Å; D261-R347 IonicContact OD1-NH2 2.61Å; D261-R347 IonicContact OD2-CZ 3.87Å; D261-R347 IonicContact OD2-NH1 3.06Å; D261-R347 PolarHBondContact OD2-NH1 3.39Å
262L96.1Very high88.3Confident4 Ų439.2 Ų39.22%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-134.6139.8-179.9-68.3174.6000109.2E192 A209 G211 I217 V259 L272 A273E192-L262 HydrophobicContact CB-CB 3.87Å; A209-L262 HydrophobicContact CB-CD1 3.87Å; G211-L262 VanDerWaalsContact N-CD1 3.29Å; I217-L262 HydrophobicContact CD1-CD2 3.8Å; I217-L262 HydrophobicContact CG1-CD2 4.14Å; I217-L262 HydrophobicContact CG2-CD1 3.98Å; I217-L262 HydrophobicContact CG2-CD2 4.19Å; V259-L262 HydrophobicContact CG1-CD2 3.82Å; V259-L262 HydrophobicContact CG1-CG 4.2Å; L262-L272 HydrophobicContact CD2-CD2 4.38Å; L262-A273 WeakPolarHBondContact CA-O 3.48Å
263S95.3Very high90.3Very high9 Ų937.1 Ų37.16%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-140.6130.7171-165.80000110.6A273 F307S263-A273 PolarHBondContact N-O 2.77Å; S263-A273 PolarHBondContact O-N 3.17Å; S263-F307 WeakPolarHBondContact O-CD2 3.19Å; S263-F307 VanDerWaalsContact O-CE2 3.27Å; S263-F307 WeakPolarHBondContact O-CE2 3.41Å; S263-F307 PolarHBondContact OG-N 3.42Å; S263-F307 VanDerWaalsContact OG-N 3.16Å
264W94.1Very high91.5Very high7 Ų731.8 Ų31.83%0.02717%0.165CC..EExtended strand (participates in β ladder)trans-100.2136.8-179.7178.158.1000111.9E192 W193 L194 N195 F196 K266 R269 V271 L272E192-W264 HydrophobicContact CG-CB 3.76Å; E192-W264 PolarHBondContact OE1-N 3.24Å; W193-W264 HydrophobicContact CZ3-CZ3 4.46Å; L194-W264 HydrophobicContact CD2-CB 3.35Å; L194-W264 HydrophobicContact CD2-CD2 3.95Å; L194-W264 HydrophobicContact CD2-CG 3.33Å; N195-W264 HydrophobicContact CB-CH2 3.68Å; N195-W264 HydrophobicContact CB-CZ2 4.49Å; N195-W264 HydrophobicContact CB-CZ3 4.02Å; N195-W264 WeakPolarHBondContact O-CZ2 3.14Å; F196-W264 HydrophobicContact CB-CZ2 4.49Å; W264-K266 HydrophobicContact CD2-CD 4.2Å; W264-K266 HydrophobicContact CE3-CD 3.36Å; W264-K266 VanDerWaalsContact CE3-NZ 3.29Å; W264-K266 HydrophobicContact CH2-CD 4.45Å; W264-K266 HydrophobicContact CZ3-CD 3.47Å; W264-K266 VanDerWaalsContact CZ3-CD 3.47Å; W264-K266 PolarHBondContact O-N 2.89Å; W264-R269 VanDerWaalsContact CH2-CD 3.44Å; W264-R269 HydrophobicContact CZ2-CB 3.91Å; W264-R269 HydrophobicContact CZ2-CG 4.2Å; W264-R269 PolarHBondContact NE1-O 3.23Å; W264-V271 VanDerWaalsContact CD1-O 3.26Å; W264-L272 HydrophobicContact CB-CD1 3.87Å
265N91.8Very high92Very high3 Ų331.2 Ų31.22%0.01616%0.158CC..  trans-77.4112.9179-171.1-27.7000110.5L267 I268 V271 F307 A312N265-L267 VanDerWaalsContact C-N 3.25Å; N265-L267 PolarHBondContact O-N 3.47Å; N265-L267 PolarHBondContact OD1-N 3.45Å; N265-I268 WeakPolarHBondContact CB-O 3.48Å; N265-I268 CarbonylContact O-C 3.52Å; N265-I268 VanDerWaalsContact O-O 3.12Å; N265-I268 PolarHBondContact OD1-N 3.08Å; N265-V271 HydrophobicContact CB-CB 4.2Å; N265-V271 HydrophobicContact CB-CG1 4.46Å; N265-V271 WeakPolarHBondContact CB-O 3.18Å; N265-V271 PolarHBondContact N-O 2.99Å; N265-V271 VanDerWaalsContact N-O 3.12Å; N265-F307 HydrophobicContact CB-CD1 4.32Å; N265-F307 HydrophobicContact CB-CD2 3.91Å; N265-F307 HydrophobicContact CB-CE1 4.39Å; N265-F307 HydrophobicContact CB-CE2 3.96Å; N265-F307 HydrophobicContact CB-CG 4.08Å; N265-F307 HydrophobicContact CB-CZ 4.21Å; N265-A312 PolarHBondContact ND2-O 2.9Å
266K86.6Confident92.3Very high100 Ų10031.1 Ų31.144%0.43516%0.158SC..SBendtrans-73-17.5-176.7-49.2-53.9178.6-171.20113.3E192 W193 W264E192-K266 IonicContact OE1-NZ 2.7Å; E192-K266 PolarHBondContact OE1-NZ 3.22Å; W193-K266 PolarHBondContact O-NZ 3.11Å; W264-K266 HydrophobicContact CD2-CD 4.2Å; W264-K266 HydrophobicContact CE3-CD 3.36Å; W264-K266 VanDerWaalsContact CE3-NZ 3.29Å; W264-K266 HydrophobicContact CH2-CD 4.45Å; W264-K266 HydrophobicContact CZ3-CD 3.47Å; W264-K266 VanDerWaalsContact CZ3-CD 3.47Å; W264-K266 PolarHBondContact O-N 2.89Å
267L88.7Confident92.6Very high92 Ų9227.7 Ų27.748%0.48214%0.138SC..SBendtrans-94-45.9179.9-65.5172.8000111.6N265 F310 A312N265-L267 VanDerWaalsContact C-N 3.25Å; N265-L267 PolarHBondContact O-N 3.47Å; N265-L267 PolarHBondContact OD1-N 3.45Å; L267-F310 WeakPolarHBondContact CD1-O 3.34Å; L267-A312 HydrophobicContact CB-CB 3.8Å; L267-A312 HydrophobicContact CD1-CB 3.93Å
268I88.1Confident92.6Very high77 Ų7725.7 Ų25.740%0.39513%0.127SC..SBendtrans-107.496.5176.9-63.1175.7000108.2N265 N270 V271 A312N265-I268 WeakPolarHBondContact CB-O 3.48Å; N265-I268 CarbonylContact O-C 3.52Å; N265-I268 VanDerWaalsContact O-O 3.12Å; N265-I268 PolarHBondContact OD1-N 3.08Å; I268-N270 VanDerWaalsContact C-N 3.26Å; I268-N270 WeakPolarHBondContact CG2-OD1 3.48Å; I268-N270 PolarHBondContact O-N 3.35Å; I268-V271 HydrophobicContact CB-CG2 4.49Å; I268-V271 HydrophobicContact CG2-CB 4.21Å; I268-V271 HydrophobicContact CG2-CG2 3.62Å; I268-V271 PolarHBondContact O-N 3.23Å; I268-V271 VanDerWaalsContact O-N 3.14Å; I268-A312 HydrophobicContact CD1-CB 3.57Å; I268-A312 HydrophobicContact CG1-CB 3.73Å
269R85.7Confident92.5Very high93 Ų9327.8 Ų27.835%0.35114%0.138SC..THydrogen-bonded Turntrans-65.2-24.7-165.6-55.1-73.7-74.4-101.6-17.1114.3N195 F196 W264 V271N195-R269 VanDerWaalsContact CB-NH2 3.32Å; N195-R269 PolarHBondContact ND2-NH2 3Å; N195-R269 PolarHBondContact O-NE 3.29Å; N195-R269 PolarHBondContact O-NH2 3.42Å; N195-R269 PolarHBondContact OD1-NH2 3.34Å; F196-R269 HydrophobicContact CD2-CB 4.25Å; F196-R269 WeakPolarHBondContact CD2-O 3.36Å; W264-R269 VanDerWaalsContact CH2-CD 3.44Å; W264-R269 HydrophobicContact CZ2-CB 3.91Å; W264-R269 HydrophobicContact CZ2-CG 4.2Å; W264-R269 PolarHBondContact NE1-O 3.23Å; R269-V271 VanDerWaalsContact C-N 3.32Å
270N87.8Confident92.4Very high47 Ų4728.9 Ų28.925%0.25115%0.145SC..THydrogen-bonded Turntrans-85.1-1.5179.967.8-51.4000113.6F196 I268 D285 M286F196-N270 HydrophobicContact CD2-CB 4.43Å; F196-N270 HydrophobicContact CE2-CB 3.86Å; F196-N270 HydrophobicContact CZ-CB 4.36Å; I268-N270 VanDerWaalsContact C-N 3.26Å; I268-N270 WeakPolarHBondContact CG2-OD1 3.48Å; I268-N270 PolarHBondContact O-N 3.35Å; N270-D285 PolarHBondContact ND2-OD1 3.05Å; N270-M286 WeakPolarHBondContact O-CB 3.22Å; N270-M286 VanDerWaalsContact O-CG 3.22Å; N270-M286 WeakPolarHBondContact O-CG 3.33Å; N270-M286 PolarHBondContact O-N 3.18Å
271V91.6Very high92.3Very high32 Ų3227.7 Ų27.719%0.19414%0.138CC..EExtended strand (participates in β ladder)trans-105.9123.4-176.5176.20000111.3W264 N265 I268 R269 W284 F307W264-V271 VanDerWaalsContact CD1-O 3.26Å; N265-V271 HydrophobicContact CB-CB 4.2Å; N265-V271 HydrophobicContact CB-CG1 4.46Å; N265-V271 WeakPolarHBondContact CB-O 3.18Å; N265-V271 PolarHBondContact N-O 2.99Å; N265-V271 VanDerWaalsContact N-O 3.12Å; I268-V271 HydrophobicContact CB-CG2 4.49Å; I268-V271 HydrophobicContact CG2-CB 4.21Å; I268-V271 HydrophobicContact CG2-CG2 3.62Å; I268-V271 PolarHBondContact O-N 3.23Å; I268-V271 VanDerWaalsContact O-N 3.14Å; R269-V271 VanDerWaalsContact C-N 3.32Å; V271-W284 WeakPolarHBondContact CA-O 3.47Å; V271-F307 HydrophobicContact CG1-CE2 4.4Å; V271-F307 HydrophobicContact CG1-CZ 3.81Å
272L93.8Very high92.2Very high0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-118.1140.5171.7-177.670.9000109.1L194 A209 I217 L234 L262 W264 W284 M286L194-L272 HydrophobicContact CD2-CD1 3.87Å; A209-L272 HydrophobicContact CB-CD2 4.07Å; I217-L272 HydrophobicContact CG2-CD2 4.42Å; L234-L272 HydrophobicContact CD1-CD2 3.83Å; L262-L272 HydrophobicContact CD2-CD2 4.38Å; W264-L272 HydrophobicContact CB-CD1 3.87Å; L272-W284 HydrophobicContact CB-CB 4.34Å; L272-W284 PolarHBondContact N-O 3.28Å; L272-W284 VanDerWaalsContact N-O 3.14Å; L272-W284 PolarHBondContact O-N 2.85Å; L272-M286 HydrophobicContact CB-CG 4.07Å; L272-M286 HydrophobicContact CB-SD 3.64Å; L272-M286 HydrophobicContact CD2-CE 4.17Å; L272-M286 HydrophobicContact CD2-SD 3.87Å; L272-M286 HydrophobicContact CG-SD 4.41Å
273A94.8Very high92.1Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-112.4141.9171.900000110L262 S263 I282 L283 L305 F307 L315L262-A273 WeakPolarHBondContact CA-O 3.48Å; S263-A273 PolarHBondContact N-O 2.77Å; S263-A273 PolarHBondContact O-N 3.17Å; A273-I282 WeakPolarHBondContact CA-O 3.34Å; A273-L283 HydrophobicContact CB-CD2 3.62Å; A273-L305 HydrophobicContact CB-CD1 3.41Å; A273-L305 VanDerWaalsContact CB-CD1 3.41Å; A273-F307 HydrophobicContact CB-CD2 4.26Å; A273-F307 HydrophobicContact CB-CE2 3.35Å; A273-F307 HydrophobicContact CB-CZ 3.64Å; A273-L315 HydrophobicContact CB-CD1 4.19Å; A273-L315 HydrophobicContact CB-CD2 4.14Å
274S95.5Very high91.9Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-129.3140.3178.361.90000111.6H255 V281 I282 W284 L305H255-S274 PolarHBondContact CD2-OG 2.87Å; H255-S274 PolarHBondContact NE2-OG 3.31Å; S274-V281 CarbonylContact O-C 3.55Å; S274-V281 VanDerWaalsContact O-CA 3.27Å; S274-V281 WeakPolarHBondContact O-CA 3.29Å; S274-V281 WeakPolarHBondContact O-CG1 3.22Å; S274-I282 PolarHBondContact N-O 3.29Å; S274-I282 PolarHBondContact O-N 3.38Å; S274-I282 PolarHBondContact OG-O 3.15Å; S274-W284 PolarHBondContact OG-NE1 2.98Å; S274-L305 VanDerWaalsContact C-CD2 3.4Å
275A95Very high91.7Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-111.3139.217500000108.9V259 L260 D261 V302 L305V259-A275 CarbonylContact C-O 3.54Å; V259-A275 WeakPolarHBondContact CA-O 3.46Å; L260-A275 PolarHBondContact N-O 2.84Å; D261-A275 HydrophobicContact CB-CB 4.41Å; D261-A275 PolarHBondContact N-O 3.11Å; D261-A275 PolarHBondContact O-N 3.03Å; A275-V302 HydrophobicContact CB-CB 3.87Å; A275-V302 HydrophobicContact CB-CG1 3.64Å; A275-V302 WeakPolarHBondContact CB-O 3.32Å; A275-L305 HydrophobicContact CB-CB 4.32Å; A275-L305 HydrophobicContact CB-CD2 3.32Å; A275-L305 HydrophobicContact CB-CG 4.38Å
276S94.8Very high91.5Very high0 Ų029.1 Ų29.10%015%0.146CC..EExtended strand (participates in β ladder)trans-132.3159.9-175.5176.10000112.6H255 D257 A258 D278 N279 T280 V302H255-S276 WeakPolarHBondContact CE1-CB 3.3Å; H255-S276 WeakPolarHBondContact ND1-CB 3.45Å; D257-S276 PolarHBondContact O-OG 2.81Å; D257-S276 VanDerWaalsContact O-OG 3.06Å; A258-S276 VanDerWaalsContact O-CA 3.23Å; A258-S276 WeakPolarHBondContact O-CA 3.39Å; A258-S276 WeakPolarHBondContact O-CB 3.32Å; A258-S276 PolarHBondContact O-OG 2.94Å; S276-D278 WeakPolarHBondContact CB-OD1 3.28Å; S276-D278 PolarHBondContact O-N 2.71Å; S276-D278 PolarHBondContact OG-N 3.46Å; S276-D278 VanDerWaalsContact OG-N 3.14Å; S276-D278 PolarHBondContact OG-OD1 2.92Å; S276-N279 PolarHBondContact O-N 3.28Å; S276-T280 PolarHBondContact N-O 3.16Å; S276-V302 PolarHBondContact O-N 3.18Å; S276-V302 VanDerWaalsContact O-N 3.13Å
277A94.3Very high91.4Very high9 Ų927.8 Ų27.87%0.07415%0.149CC..THydrogen-bonded Turntrans-66-6.6167.100000113.6D257 A258 L260 N279 K301D257-A277 HydrophobicContact CB-CB 4.03Å; A258-A277 PolarHBondContact O-N 2.97Å; L260-A277 HydrophobicContact CD1-CB 4.23Å; L260-A277 HydrophobicContact CG-CB 4.45Å; A277-N279 PolarHBondContact O-N 2.99Å; A277-N279 PolarHBondContact O-OD1 2.76Å; A277-K301 HydrophobicContact CB-CD 3.88Å; A277-K301 HydrophobicContact CB-CG 4.1Å
278D90.9Very high91.1Very high31 Ų3129.1 Ų29.117%0.16616%0.156CC..THydrogen-bonded Turntrans-81.68.9172.370.913.4000114.6H255 T256 D257 S276 T280H255-D278 VanDerWaalsContact CA-OD2 3.28Å; H255-D278 WeakPolarHBondContact CA-OD2 3.36Å; H255-D278 WeakPolarHBondContact CB-OD2 3.47Å; H255-D278 IonicContact CE1-OD1 3.73Å; H255-D278 IonicContact CG-OD2 3.18Å; H255-D278 IonicContact ND1-OD1 3.25Å; H255-D278 PolarHBondContact ND1-OD1 3.4Å; H255-D278 IonicContact ND1-OD2 2.75Å; H255-D278 PolarHBondContact ND1-OD2 3.31Å; T256-D278 PolarHBondContact N-OD2 2.73Å; T256-D278 WeakPolarHBondContact OG1-CB 3.44Å; T256-D278 PolarHBondContact OG1-OD2 3.29Å; D257-D278 HydrophobicContact CB-CB 4.07Å; S276-D278 WeakPolarHBondContact CB-OD1 3.28Å; S276-D278 PolarHBondContact O-N 2.71Å; S276-D278 PolarHBondContact OG-N 3.46Å; S276-D278 VanDerWaalsContact OG-N 3.14Å; S276-D278 PolarHBondContact OG-OD1 2.92Å; D278-T280 PolarHBondContact O-N 3.4Å; D278-T280 WeakPolarHBondContact OD1-CB 3.29Å; D278-T280 PolarHBondContact OD1-N 3.15Å; D278-T280 PolarHBondContact OD1-OG1 2.96Å; D278-T280 PolarHBondContact OD2-OG1 3.46Å
279N92.5Very high90.8Very high49 Ų4927 Ų2726%0.26215%0.153SC..SBendtrans68.910.7-180-47.2-13.1000114S276 A277 T299 D300 K301S276-N279 PolarHBondContact O-N 3.28Å; A277-N279 PolarHBondContact O-N 2.99Å; A277-N279 PolarHBondContact O-OD1 2.76Å; N279-T299 PolarHBondContact ND2-O 3.14Å; N279-T299 VanDerWaalsContact ND2-O 3.13Å; N279-D300 WeakPolarHBondContact OD1-CA 3.37Å; N279-D300 PolarHBondContact OD1-O 3.45Å; N279-K301 WeakPolarHBondContact OD1-CA 3.46Å; N279-K301 PolarHBondContact OD1-N 3Å
280T92.1Very high90.8Very high23 Ų2328 Ų2814%0.14116%0.16CC..  trans-110.8152.7178.174.90000112H255 S276 D278 L295 A296H255-T280 PolarHBondContact CE1-O 3.02Å; H255-T280 PolarHBondContact CE1-OG1 2.97Å; H255-T280 PolarHBondContact ND1-OG1 2.86Å; S276-T280 PolarHBondContact N-O 3.16Å; D278-T280 PolarHBondContact O-N 3.4Å; D278-T280 WeakPolarHBondContact OD1-CB 3.29Å; D278-T280 PolarHBondContact OD1-N 3.15Å; D278-T280 PolarHBondContact OD1-OG1 2.96Å; D278-T280 PolarHBondContact OD2-OG1 3.46Å; T280-L295 WeakPolarHBondContact CA-O 3.44Å; T280-A296 HydrophobicContact CG2-CB 4.12Å
281V93.8Very high90.9Very high1 Ų128 Ų281%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-111.3126.3165.4178.10000107.7S274 L295 V302 L315S274-V281 CarbonylContact O-C 3.55Å; S274-V281 VanDerWaalsContact O-CA 3.27Å; S274-V281 WeakPolarHBondContact O-CA 3.29Å; S274-V281 WeakPolarHBondContact O-CG1 3.22Å; V281-L295 HydrophobicContact CB-CB 4.17Å; V281-L295 HydrophobicContact CB-CD1 4.47Å; V281-L295 HydrophobicContact CG1-CD1 4.38Å; V281-L295 PolarHBondContact N-O 3.17Å; V281-L295 PolarHBondContact O-N 2.99Å; V281-V302 HydrophobicContact CG2-CB 4.26Å; V281-V302 HydrophobicContact CG2-CG1 3.79Å; V281-V302 HydrophobicContact CG2-CG2 4.1Å; V281-L315 HydrophobicContact CG1-CD2 3.88Å
282I93.2Very high90.7Very high6 Ų630 Ų303%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-110.7133179.6-62.9178.1000109.2H255 A273 S274 W284 P291 A293H255-I282 VanDerWaalsContact CE1-CG1 3.49Å; H255-I282 WeakPolarHBondContact CE1-CG1 3.33Å; H255-I282 WeakPolarHBondContact ND1-CD1 3.36Å; A273-I282 WeakPolarHBondContact CA-O 3.34Å; S274-I282 PolarHBondContact N-O 3.29Å; S274-I282 PolarHBondContact O-N 3.38Å; S274-I282 PolarHBondContact OG-O 3.15Å; I282-W284 HydrophobicContact CB-CZ2 4.32Å; I282-W284 HydrophobicContact CD1-CZ2 4.28Å; I282-W284 HydrophobicContact CG2-CD2 3.98Å; I282-W284 VanDerWaalsContact CG2-CE2 3.5Å; I282-W284 HydrophobicContact CG2-CG 4.33Å; I282-W284 HydrophobicContact CG2-CH2 4.48Å; I282-W284 HydrophobicContact CG2-CZ2 3.79Å; I282-P291 HydrophobicContact CG2-CB 3.69Å; I282-A293 WeakPolarHBondContact CA-O 3.14Å
283L93.2Very high90.3Very high11 Ų1131.1 Ų31.16%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-93.4124.9167.6-59.3-177000108.4A273 P291 A292 A293 F307 L315 C329A273-L283 HydrophobicContact CB-CD2 3.62Å; L283-P291 CarbonylContact O-C 3.49Å; L283-A292 PolarHBondContact O-N 2.63Å; L283-A293 HydrophobicContact CB-CB 4.31Å; L283-A293 HydrophobicContact CD1-CB 4.23Å; L283-A293 HydrophobicContact CG-CB 4.47Å; L283-A293 PolarHBondContact N-O 3.08Å; L283-A293 PolarHBondContact O-N 2.86Å; L283-F307 HydrophobicContact CD2-CZ 3.94Å; L283-L315 HydrophobicContact CD2-CD2 4.1Å; L283-C329 HydrophobicContact CD1-CB 3.72Å
284W92.5Very high90Very high1 Ų134.4 Ų34.40%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-105.4137.7-179.7-60.791.2000110.5I217 L234 V271 L272 S274 I282 M286 P291I217-W284 HydrophobicContact CD1-CZ2 4.29Å; L234-W284 HydrophobicContact CB-CD2 4.03Å; L234-W284 HydrophobicContact CB-CE3 3.79Å; L234-W284 HydrophobicContact CB-CH2 4.3Å; L234-W284 HydrophobicContact CB-CZ3 3.93Å; L234-W284 HydrophobicContact CD1-CB 4.21Å; L234-W284 HydrophobicContact CD1-CD2 4.33Å; L234-W284 HydrophobicContact CD1-CG 4.14Å; L234-W284 HydrophobicContact CD2-CE3 4.35Å; L234-W284 HydrophobicContact CG-CE3 4.49Å; V271-W284 WeakPolarHBondContact CA-O 3.47Å; L272-W284 HydrophobicContact CB-CB 4.34Å; L272-W284 PolarHBondContact N-O 3.28Å; L272-W284 VanDerWaalsContact N-O 3.14Å; L272-W284 PolarHBondContact O-N 2.85Å; S274-W284 PolarHBondContact OG-NE1 2.98Å; I282-W284 HydrophobicContact CB-CZ2 4.32Å; I282-W284 HydrophobicContact CD1-CZ2 4.28Å; I282-W284 HydrophobicContact CG2-CD2 3.98Å; I282-W284 VanDerWaalsContact CG2-CE2 3.5Å; I282-W284 HydrophobicContact CG2-CG 4.33Å; I282-W284 HydrophobicContact CG2-CH2 4.48Å; I282-W284 HydrophobicContact CG2-CZ2 3.79Å; W284-M286 HydrophobicContact CB-SD 4.41Å; W284-P291 HydrophobicContact CE3-CB 4.21Å; W284-P291 HydrophobicContact CH2-CB 4.47Å; W284-P291 HydrophobicContact CZ3-CB 4.08Å; W284-P291 HydrophobicContact CZ3-CG 4.32Å
285D90Very high89.7Confident34 Ų3434.6 Ų34.618%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-95.9108.4163.1-172.7-5.2000108.7N270 S287 L288 G289 K290 A292N270-D285 PolarHBondContact ND2-OD1 3.05Å; D285-S287 VanDerWaalsContact C-N 3.29Å; D285-S287 PolarHBondContact O-N 3.49Å; D285-S287 PolarHBondContact OD1-N 3.47Å; D285-L288 HydrophobicContact CB-CB 4.44Å; D285-L288 PolarHBondContact O-N 3.45Å; D285-L288 WeakPolarHBondContact OD2-CD1 3.29Å; D285-G289 PolarHBondContact O-N 3.36Å; D285-K290 PolarHBondContact N-O 3.13Å; D285-K290 PolarHBondContact O-N 3Å; D285-A292 HydrophobicContact CB-CB 4.46Å
286M86.6Confident89.2Confident5 Ų538.2 Ų38.23%0.02525%0.246CC..THydrogen-bonded Turntrans-67.8-29.1-175.8-58.4-62.1-77.100112.2L194 F196 V219 F232 L234 N270 L272 W284 L288L194-M286 HydrophobicContact CD1-CE 3.76Å; F196-M286 HydrophobicContact CD1-CB 3.76Å; F196-M286 HydrophobicContact CD1-CG 4.45Å; F196-M286 HydrophobicContact CE1-CB 3.33Å; F196-M286 HydrophobicContact CE1-CG 4.46Å; F196-M286 HydrophobicContact CZ-CB 3.82Å; V219-M286 HydrophobicContact CG2-CE 4.01Å; F232-M286 HydrophobicContact CE2-CE 3.34Å; F232-M286 HydrophobicContact CE2-SD 4.36Å; F232-M286 HydrophobicContact CZ-CE 3.42Å; F232-M286 VanDerWaalsContact CZ-CE 3.42Å; L234-M286 HydrophobicContact CD1-CE 3.93Å; L234-M286 HydrophobicContact CD1-SD 3.35Å; L234-M286 WeakPolarHBondContact CD1-SD 3.44Å; L234-M286 HydrophobicContact CD2-SD 4.11Å; L234-M286 HydrophobicContact CG-SD 4.3Å; N270-M286 WeakPolarHBondContact O-CB 3.22Å; N270-M286 VanDerWaalsContact O-CG 3.22Å; N270-M286 WeakPolarHBondContact O-CG 3.33Å; N270-M286 PolarHBondContact O-N 3.18Å; L272-M286 HydrophobicContact CB-CG 4.07Å; L272-M286 HydrophobicContact CB-SD 3.64Å; L272-M286 HydrophobicContact CD2-CE 4.17Å; L272-M286 HydrophobicContact CD2-SD 3.87Å; L272-M286 HydrophobicContact CG-SD 4.41Å; W284-M286 HydrophobicContact CB-SD 4.41Å; M286-L288 VanDerWaalsContact C-N 3.29Å; M286-L288 PolarHBondContact O-N 3.06Å
287S84.7Confident88.8Confident73 Ų7340.1 Ų40.151%0.5126%0.257SS..THydrogen-bonded Turntrans-69.6-28.9177-600000112.3D285D285-S287 VanDerWaalsContact C-N 3.29Å; D285-S287 PolarHBondContact O-N 3.49Å; D285-S287 PolarHBondContact OD1-N 3.47Å
288L82.7Confident88.6Confident119 Ų11940.3 Ų40.362%0.62326%0.257SS*.THydrogen-bonded Turntrans-103-14.1-179.8-62.7179.4000113.2D285 M286 K290D285-L288 HydrophobicContact CB-CB 4.44Å; D285-L288 PolarHBondContact O-N 3.45Å; D285-L288 WeakPolarHBondContact OD2-CD1 3.29Å; M286-L288 VanDerWaalsContact C-N 3.29Å; M286-L288 PolarHBondContact O-N 3.06Å; L288-K290 HydrophobicContact CB-CB 4.36Å; L288-K290 PolarHBondContact O-N 2.88Å
289G81.7Confident88.5Confident33 Ų3344.2 Ų44.234%0.3428%0.282SS..THydrogen-bonded Turntrans62.927.4-173.400000113.2D285D285-G289 PolarHBondContact O-N 3.36Å
290K85.5Confident88.6Confident113 Ų11344.8 Ų44.849%0.49129%0.285SS..EExtended strand (participates in β ladder)trans-126.9151.4-171.5-74.8-177.8-176.3-173.20112.6D285 L288 A292D285-K290 PolarHBondContact N-O 3.13Å; D285-K290 PolarHBondContact O-N 3Å; L288-K290 HydrophobicContact CB-CB 4.36Å; L288-K290 PolarHBondContact O-N 2.88Å; K290-A292 PolarHBondContact O-N 3.12Å
291P88.9Confident88.6Confident47 Ų4747.8 Ų47.831%0.30530%0.296SS..EExtended strand (participates in β ladder)trans-69.3121.5172.329.5-33000109.4I282 L283 W284I282-P291 HydrophobicContact CG2-CB 3.69Å; L283-P291 CarbonylContact O-C 3.49Å; W284-P291 HydrophobicContact CE3-CB 4.21Å; W284-P291 HydrophobicContact CH2-CB 4.47Å; W284-P291 HydrophobicContact CZ3-CB 4.08Å; W284-P291 HydrophobicContact CZ3-CG 4.32Å
292A87.8Confident88.7Confident74 Ų7447.7 Ų47.761%0.61230%0.296SS*.EExtended strand (participates in β ladder)trans-83.3-40176.900000111.9L283 D285 K290L283-A292 PolarHBondContact O-N 2.63Å; D285-A292 HydrophobicContact CB-CB 4.46Å; K290-A292 PolarHBondContact O-N 3.12Å
293A86.9Confident88.8Confident25 Ų2549.4 Ų49.421%0.20730%0.303CS..EExtended strand (participates in β ladder)trans-151.2153.5177.100000111.2I282 L283I282-A293 WeakPolarHBondContact CA-O 3.14Å; L283-A293 HydrophobicContact CB-CB 4.31Å; L283-A293 HydrophobicContact CD1-CB 4.23Å; L283-A293 HydrophobicContact CG-CB 4.47Å; L283-A293 PolarHBondContact N-O 3.08Å; L283-A293 PolarHBondContact O-N 2.86Å
294S88.1Confident88.8Confident68 Ų6848.9 Ų48.948%0.47630%0.301SS..EExtended strand (participates in β ladder)trans-124.7129.5172.5179.60000109.1
295L88.1Confident89Confident5 Ų549 Ų493%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-111.9112-178.3-62.5168.3000108T280 V281 L315 Y327 P332T280-L295 WeakPolarHBondContact CA-O 3.44Å; V281-L295 HydrophobicContact CB-CB 4.17Å; V281-L295 HydrophobicContact CB-CD1 4.47Å; V281-L295 HydrophobicContact CG1-CD1 4.38Å; V281-L295 PolarHBondContact N-O 3.17Å; V281-L295 PolarHBondContact O-N 2.99Å; L295-L315 HydrophobicContact CD1-CD2 4.39Å; L295-Y327 HydrophobicContact CB-CE1 4.18Å; L295-Y327 HydrophobicContact CD1-CD1 3.9Å; L295-Y327 HydrophobicContact CD1-CD2 4.03Å; L295-Y327 HydrophobicContact CD1-CE1 4.21Å; L295-Y327 HydrophobicContact CD1-CE2 4.31Å; L295-Y327 HydrophobicContact CD1-CG 3.81Å; L295-Y327 HydrophobicContact CD2-CD1 4.01Å; L295-Y327 HydrophobicContact CD2-CE1 4.36Å; L295-Y327 HydrophobicContact CG-CD1 4.4Å; L295-P332 HydrophobicContact CD2-CB 3.3Å; L295-P332 HydrophobicContact CG-CB 4.48Å
296A85.9Confident89.2Confident75 Ų7550.1 Ų50.162%0.6231%0.306SS*.  trans-117.859.1-179.400000110.6T280T280-A296 HydrophobicContact CG2-CB 4.12Å
297V85.9Confident89.6Confident41 Ų4150.5 Ų50.525%0.24831%0.307CS..  trans-90.8-29.7-179.9175.50000111.9Y327 M338V297-Y327 HydrophobicContact CB-CE1 3.92Å; V297-Y327 HydrophobicContact CG2-CE1 3.67Å; V297-M338 HydrophobicContact CG1-CE 4.27Å; V297-M338 HydrophobicContact CG1-CG 4.47Å; V297-M338 HydrophobicContact CG1-SD 3.64Å
298H88.7Confident90Very high12 Ų1247.3 Ų47.36%0.05628%0.284CS..  trans-77.8150-179.6-73-65.2000112.7V302 S317 S319 D321 S323 A325 Y327H298-V302 HydrophobicContact CB-CG2 3.91Å; H298-S317 PolarHBondContact CD2-OG 3.01Å; H298-S317 PolarHBondContact NE2-OG 2.82Å; H298-S319 WeakPolarHBondContact ND1-CB 3.23Å; H298-D321 IonicContact CG-OD2 3.3Å; H298-D321 IonicContact ND1-OD1 3.87Å; H298-D321 IonicContact ND1-OD2 2.87Å; H298-D321 PolarHBondContact ND1-OD2 2.84Å; H298-S323 PolarHBondContact CE1-OG 3.37Å; H298-S323 PolarHBondContact ND1-OG 2.81Å; H298-A325 WeakPolarHBondContact NE2-CB 3.31Å; H298-Y327 PolarHBondContact CD2-OH 3.19Å
299T90.3Very high90.3Very high113 Ų11343.7 Ų43.769%0.69327%0.268SS*.SBendtrans-96.2-14.3178.658.50000113.6N279 D321N279-T299 PolarHBondContact ND2-O 3.14Å; N279-T299 VanDerWaalsContact ND2-O 3.13Å; T299-D321 PolarHBondContact N-OD2 2.83Å; T299-D321 WeakPolarHBondContact OG1-CB 3.34Å; T299-D321 PolarHBondContact OG1-OD2 2.69Å
300D93.1Very high90.7Very high62 Ų6247.7 Ų47.733%0.33228%0.276SS..SBendtrans-138.3179-179.9-153.4-12.6000109.8N279 V302 S319 D321N279-D300 WeakPolarHBondContact OD1-CA 3.37Å; N279-D300 PolarHBondContact OD1-O 3.45Å; D300-V302 PolarHBondContact O-N 2.9Å; D300-S319 PolarHBondContact O-OG 3.18Å; D300-D321 HydrophobicContact CB-CB 3.84Å
301K93.8Very high90.9Very high85 Ų8546.3 Ų46.337%0.3727%0.271SS..  trans-52.1137.6-173.5-58.4-175.9179.1-174.70111.7L260 A277 N279 S319 Y320L260-K301 HydrophobicContact CD1-CB 4.21Å; A277-K301 HydrophobicContact CB-CD 3.88Å; A277-K301 HydrophobicContact CB-CG 4.1Å; N279-K301 WeakPolarHBondContact OD1-CA 3.46Å; N279-K301 PolarHBondContact OD1-N 3Å; K301-S319 VanDerWaalsContact O-CA 3.27Å; K301-S319 WeakPolarHBondContact O-CA 3.21Å; K301-S319 WeakPolarHBondContact O-CB 3.28Å; K301-S319 PolarHBondContact O-OG 2.74Å; K301-Y320 PolarHBondContact O-N 3.49Å
302V95.6Very high90.9Very high0 Ų044.9 Ų44.90%026%0.263CS..EExtended strand (participates in β ladder)trans-95.5110.3176.7-169.90000108.3L260 A275 S276 V281 H298 D300 G318L260-V302 WeakPolarHBondContact CD1-O 3.39Å; A275-V302 HydrophobicContact CB-CB 3.87Å; A275-V302 HydrophobicContact CB-CG1 3.64Å; A275-V302 WeakPolarHBondContact CB-O 3.32Å; S276-V302 PolarHBondContact O-N 3.18Å; S276-V302 VanDerWaalsContact O-N 3.13Å; V281-V302 HydrophobicContact CG2-CB 4.26Å; V281-V302 HydrophobicContact CG2-CG1 3.79Å; V281-V302 HydrophobicContact CG2-CG2 4.1Å; H298-V302 HydrophobicContact CB-CG2 3.91Å; D300-V302 PolarHBondContact O-N 2.9Å; V302-G318 WeakPolarHBondContact CG1-O 3.46Å
303Q93.8Very high91Very high41 Ų4144.1 Ų44.119%0.19225%0.247CC..EExtended strand (participates in β ladder)trans-83.8-35.1-174-86.2-68.40.400113.8L260 D261 G318 Y320L260-Q303 HydrophobicContact CD1-CG 4.46Å; D261-Q303 VanDerWaalsContact CB-O 3.29Å; D261-Q303 WeakPolarHBondContact CB-O 3.24Å; Q303-G318 PolarHBondContact N-O 3.42Å; Q303-Y320 HydrophobicContact CB-CD2 4.44Å; Q303-Y320 HydrophobicContact CB-CE2 4.45Å; Q303-Y320 HydrophobicContact CG-CD2 3.3Å; Q303-Y320 HydrophobicContact CG-CE2 3.14Å; Q303-Y320 HydrophobicContact CG-CG 4.34Å; Q303-Y320 PolarHBondContact NE2-OH 3.47Å; Q303-Y320 VanDerWaalsContact NE2-OH 3.14Å
304T94.9Very high91.3Very high1 Ų143.7 Ų43.71%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-144.2149.1-169.4-174.40000111.4D261 S317 G318 I345 V348D261-T304 WeakPolarHBondContact OD2-CA 2.95Å; D261-T304 PolarHBondContact OD2-OG1 3.06Å; T304-S317 CarbonylContact O-C 3.59Å; T304-S317 VanDerWaalsContact O-CA 3.28Å; T304-S317 WeakPolarHBondContact O-CA 3.49Å; T304-G318 PolarHBondContact N-O 3.27Å; T304-G318 PolarHBondContact O-N 3.06Å; T304-I345 HydrophobicContact CG2-CG2 4.16Å; T304-V348 HydrophobicContact CG2-CB 3.97Å; T304-V348 HydrophobicContact CG2-CG2 3.68Å; T304-V348 PolarHBondContact OG1-N 2.73Å
305L95.4Very high91.6Very high4 Ų440.5 Ų40.52%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-148.3150.1176.178.1109.4000111.8D261 A273 S274 A275 L315 I316D261-L305 HydrophobicContact CB-CD2 4.18Å; D261-L305 WeakPolarHBondContact O-CD2 3.43Å; D261-L305 PolarHBondContact OD2-N 3.36Å; A273-L305 HydrophobicContact CB-CD1 3.41Å; A273-L305 VanDerWaalsContact CB-CD1 3.41Å; S274-L305 VanDerWaalsContact C-CD2 3.4Å; A275-L305 HydrophobicContact CB-CB 4.32Å; A275-L305 HydrophobicContact CB-CD2 3.32Å; A275-L305 HydrophobicContact CB-CG 4.38Å; L305-L315 HydrophobicContact CD1-CD1 3.8Å; L305-I316 CarbonylContact C-O 3.52Å; L305-I316 VanDerWaalsContact CA-O 3.24Å; L305-I316 WeakPolarHBondContact CA-O 3.34Å
306Q95.4Very high91.9Very high57 Ų5740.2 Ų40.227%0.26622%0.218SC..EExtended strand (participates in β ladder)trans-152.5128.7173.9-154.4-176.442.400113.3I316 T349 W350Q306-I316 PolarHBondContact N-O 3.42Å; Q306-I316 PolarHBondContact O-N 2.9Å; Q306-T349 VanDerWaalsContact OE1-CA 3.23Å; Q306-W350 PolarHBondContact O-NE1 3.38Å; Q306-W350 VanDerWaalsContact O-NE1 3.15Å
307F95Very high92.3Very high12 Ų1236.7 Ų36.75%0.05319%0.189CC..EExtended strand (participates in β ladder)trans-67.4145.7168.8-83.5-70.1000111.5S263 N265 V271 A273 L283 L315S263-F307 WeakPolarHBondContact O-CD2 3.19Å; S263-F307 VanDerWaalsContact O-CE2 3.27Å; S263-F307 WeakPolarHBondContact O-CE2 3.41Å; S263-F307 PolarHBondContact OG-N 3.42Å; S263-F307 VanDerWaalsContact OG-N 3.16Å; N265-F307 HydrophobicContact CB-CD1 4.32Å; N265-F307 HydrophobicContact CB-CD2 3.91Å; N265-F307 HydrophobicContact CB-CE1 4.39Å; N265-F307 HydrophobicContact CB-CE2 3.96Å; N265-F307 HydrophobicContact CB-CG 4.08Å; N265-F307 HydrophobicContact CB-CZ 4.21Å; V271-F307 HydrophobicContact CG1-CE2 4.4Å; V271-F307 HydrophobicContact CG1-CZ 3.81Å; A273-F307 HydrophobicContact CB-CD2 4.26Å; A273-F307 HydrophobicContact CB-CE2 3.35Å; A273-F307 HydrophobicContact CB-CZ 3.64Å; L283-F307 HydrophobicContact CD2-CZ 3.94Å; F307-L315 HydrophobicContact CD1-CB 4.24Å; F307-L315 HydrophobicContact CD1-CD1 3.91Å; F307-L315 HydrophobicContact CD2-CD1 4.17Å; F307-L315 HydrophobicContact CE1-CB 4.22Å; F307-L315 HydrophobicContact CE1-CD1 4.07Å; F307-L315 HydrophobicContact CE2-CD1 4.34Å; F307-L315 HydrophobicContact CG-CD1 3.97Å; F307-L315 HydrophobicContact CZ-CD1 4.28Å
308H93.2Very high92.8Very high7 Ų734.7 Ų34.73%0.03218%0.177CC..  trans-67.9133.9175.5-176.6-90.1000110.6F310 E311 T314 W350 P355H308-F310 AromaticContact CE1-CD2 3.96Å; H308-F310 PolarHBondContact ND1-N 3.15Å; H308-F310 VanDerWaalsContact ND1-N 3.14Å; H308-F310 PolarHBondContact O-N 3.02Å; H308-E311 HydrophobicContact CB-CB 4.29Å; H308-E311 VanDerWaalsContact ND1-CB 3.34Å; H308-E311 WeakPolarHBondContact ND1-CB 3.16Å; H308-E311 PolarHBondContact ND1-N 2.95Å; H308-T314 HydrophobicContact CB-CG2 4.13Å; H308-T314 WeakPolarHBondContact CB-O 3.18Å; H308-T314 PolarHBondContact N-O 2.86Å; H308-W350 HydrophobicContact CB-CD2 4.47Å; H308-W350 HydrophobicContact CB-CZ2 4.1Å; H308-W350 AromaticContact CD2-CD2 3.64Å; H308-W350 AromaticContact CD2-CE2 3.74Å; H308-W350 AromaticContact CD2-CE3 3.59Å; H308-W350 AromaticContact CD2-CH2 3.75Å; H308-W350 AromaticContact CD2-CZ2 3.75Å; H308-W350 AromaticContact CD2-CZ3 3.69Å; H308-P355 PolarHBondContact CD2-O 2.91Å; H308-P355 PolarHBondContact NE2-O 2.88Å
309P89.3Confident93.1Very high43 Ų4334.1 Ų34.128%0.27917%0.174SC..SBendtrans-66.4-21.8-172.522.2-32.7000114.5W350 H352P309-W350 HydrophobicContact CG-CB 4.25Å; P309-H352 HydrophobicContact CB-CB 4.26Å; P309-H352 HydrophobicContact CG-CB 4.04Å
310F89.2Confident93.3Very high117 Ų11731.5 Ų31.551%0.51315%0.152SC..SBendtrans-121.8-5.1-176.6-51.7-77.1000114.9L267 H308 H352 P355L267-F310 WeakPolarHBondContact CD1-O 3.34Å; H308-F310 AromaticContact CE1-CD2 3.96Å; H308-F310 PolarHBondContact ND1-N 3.15Å; H308-F310 VanDerWaalsContact ND1-N 3.14Å; H308-F310 PolarHBondContact O-N 3.02Å; F310-H352 WeakPolarHBondContact CE2-O 3.48Å; F310-H352 WeakPolarHBondContact CZ-O 3.47Å; F310-P355 HydrophobicContact CD2-CB 4.13Å; F310-P355 HydrophobicContact CD2-CG 3.8Å; F310-P355 HydrophobicContact CE2-CG 4.05Å
311E90Very high93.3Very high84 Ų8430.1 Ų30.139%0.39314%0.144SC..  trans-132.7112.6-175.5-68.8-173-178.400108.2H308 Q313 T314H308-E311 HydrophobicContact CB-CB 4.29Å; H308-E311 VanDerWaalsContact ND1-CB 3.34Å; H308-E311 WeakPolarHBondContact ND1-CB 3.16Å; H308-E311 PolarHBondContact ND1-N 2.95Å; E311-Q313 PolarHBondContact O-N 3.22Å; E311-Q313 PolarHBondContact OE2-NE2 2.93Å; E311-T314 PolarHBondContact O-N 2.93Å; E311-T314 PolarHBondContact OE2-OG1 3.04Å
312A88.8Confident93.3Very high16 Ų1630.2 Ų30.213%0.13215%0.145CC..THydrogen-bonded Turntrans-70-23.2-170.400000113N265 L267 I268N265-A312 PolarHBondContact ND2-O 2.9Å; L267-A312 HydrophobicContact CB-CB 3.8Å; L267-A312 HydrophobicContact CD1-CB 3.93Å; I268-A312 HydrophobicContact CD1-CB 3.57Å; I268-A312 HydrophobicContact CG1-CB 3.73Å
313Q90.3Very high93.3Very high58 Ų5830.4 Ų30.427%0.27115%0.146SC..THydrogen-bonded Turntrans-85.8-12.5-176.669.5-80.21.300113.7E311 D328 C329 R330E311-Q313 PolarHBondContact O-N 3.22Å; E311-Q313 PolarHBondContact OE2-NE2 2.93Å; Q313-D328 CarbonylContact O-C 3.59Å; Q313-D328 WeakPolarHBondContact O-CA 3.29Å; Q313-C329 WeakPolarHBondContact O-CB 3.12Å; Q313-C329 PolarHBondContact O-N 2.87Å; Q313-C329 PolarHBondContact O-SG 2.81Å; Q313-C329 VanDerWaalsContact O-SG 3.32Å; Q313-R330 HydrophobicContact CB-CG 4Å
314T92.3Very high93.3Very high17 Ų1728.4 Ų28.410%0.10414%0.137CC..EExtended strand (participates in β ladder)trans-103.1123.5-167-560000109.7H308 E311 L326 Y327 W350H308-T314 HydrophobicContact CB-CG2 4.13Å; H308-T314 WeakPolarHBondContact CB-O 3.18Å; H308-T314 PolarHBondContact N-O 2.86Å; E311-T314 PolarHBondContact O-N 2.93Å; E311-T314 PolarHBondContact OE2-OG1 3.04Å; T314-L326 HydrophobicContact CG2-CD1 3.41Å; T314-L326 VanDerWaalsContact CG2-CD1 3.41Å; T314-L326 HydrophobicContact CG2-CG 4.34Å; T314-Y327 WeakPolarHBondContact CA-O 3.48Å; T314-W350 HydrophobicContact CG2-CH2 4.2Å; T314-W350 HydrophobicContact CG2-CZ2 3.8Å
315L93.8Very high93.3Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-127.9139.2-179.617872.1000110.1A273 V281 L283 L295 L305 F307 L326 Y327A273-L315 HydrophobicContact CB-CD1 4.19Å; A273-L315 HydrophobicContact CB-CD2 4.14Å; V281-L315 HydrophobicContact CG1-CD2 3.88Å; L283-L315 HydrophobicContact CD2-CD2 4.1Å; L295-L315 HydrophobicContact CD1-CD2 4.39Å; L305-L315 HydrophobicContact CD1-CD1 3.8Å; F307-L315 HydrophobicContact CD1-CB 4.24Å; F307-L315 HydrophobicContact CD1-CD1 3.91Å; F307-L315 HydrophobicContact CD2-CD1 4.17Å; F307-L315 HydrophobicContact CE1-CB 4.22Å; F307-L315 HydrophobicContact CE1-CD1 4.07Å; F307-L315 HydrophobicContact CE2-CD1 4.34Å; F307-L315 HydrophobicContact CG-CD1 3.97Å; F307-L315 HydrophobicContact CZ-CD1 4.28Å; L315-L326 CarbonylContact O-C 3.58Å; L315-L326 WeakPolarHBondContact O-CA 3.41Å; L315-Y327 HydrophobicContact CB-CD2 4.43Å; L315-Y327 HydrophobicContact CD2-CD2 4.23Å; L315-Y327 HydrophobicContact CG-CD2 4.36Å; L315-Y327 PolarHBondContact N-O 3.11Å; L315-Y327 VanDerWaalsContact N-O 3.11Å; L315-Y327 PolarHBondContact O-N 2.8Å
316I94.8Very high93.2Very high0 Ų029.3 Ų29.30%014%0.142CC..EExtended strand (participates in β ladder)trans-110.8142.4167-68.9177.2000110.4L305 Q306 V324 A325 L326 V348 W350 F358L305-I316 CarbonylContact C-O 3.52Å; L305-I316 VanDerWaalsContact CA-O 3.24Å; L305-I316 WeakPolarHBondContact CA-O 3.34Å; Q306-I316 PolarHBondContact N-O 3.42Å; Q306-I316 PolarHBondContact O-N 2.9Å; I316-V324 HydrophobicContact CG2-CG1 3.29Å; I316-A325 CarbonylContact C-O 3.53Å; I316-A325 VanDerWaalsContact CA-O 3.24Å; I316-A325 WeakPolarHBondContact CA-O 3.35Å; I316-L326 HydrophobicContact CD1-CD1 3.99Å; I316-L326 HydrophobicContact CG1-CB 4.29Å; I316-L326 HydrophobicContact CG1-CD1 3.41Å; I316-L326 VanDerWaalsContact CG1-CD1 3.41Å; I316-L326 HydrophobicContact CG1-CG 4.49Å; I316-V348 HydrophobicContact CB-CG1 4.21Å; I316-V348 HydrophobicContact CG2-CB 4.27Å; I316-V348 HydrophobicContact CG2-CG1 3.43Å; I316-V348 VanDerWaalsContact CG2-CG1 3.43Å; I316-V348 HydrophobicContact CG2-CG2 4.49Å; I316-W350 HydrophobicContact CB-CZ2 4.42Å; I316-W350 HydrophobicContact CD1-CD2 3.91Å; I316-W350 HydrophobicContact CD1-CE3 4.16Å; I316-W350 HydrophobicContact CD1-CH2 3.4Å; I316-W350 HydrophobicContact CD1-CZ2 3.09Å; I316-W350 HydrophobicContact CD1-CZ3 3.91Å; I316-W350 HydrophobicContact CG1-CH2 4.04Å; I316-W350 HydrophobicContact CG1-CZ2 3.32Å; I316-F358 HydrophobicContact CD1-CB 3.71Å; I316-F358 HydrophobicContact CD1-CD1 3.64Å; I316-F358 HydrophobicContact CD1-CD2 3.96Å; I316-F358 HydrophobicContact CD1-CE1 4.2Å; I316-F358 HydrophobicContact CD1-CE2 4.48Å; I316-F358 HydrophobicContact CD1-CG 3.49Å; I316-F358 VanDerWaalsContact CD1-CG 3.49Å
317S95.3Very high92.9Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-127.5149.4165.265.80000112.5H298 T304 V324 A325 Y327H298-S317 PolarHBondContact CD2-OG 3.01Å; H298-S317 PolarHBondContact NE2-OG 2.82Å; T304-S317 CarbonylContact O-C 3.59Å; T304-S317 VanDerWaalsContact O-CA 3.28Å; T304-S317 WeakPolarHBondContact O-CA 3.49Å; S317-V324 CarbonylContact O-C 3.54Å; S317-V324 VanDerWaalsContact O-CA 3.27Å; S317-V324 WeakPolarHBondContact O-CA 3.47Å; S317-V324 WeakPolarHBondContact O-CG1 3.28Å; S317-A325 PolarHBondContact N-O 3.4Å; S317-A325 PolarHBondContact O-N 3.19Å; S317-Y327 WeakPolarHBondContact OG-CE2 3.33Å; S317-Y327 PolarHBondContact OG-OH 2.95Å
318G95.3Very high92.7Very high0 Ų027.5 Ų27.50%013%0.134CC..EExtended strand (participates in β ladder)trans-117.5139.1172.600000111.3V302 Q303 T304V302-G318 WeakPolarHBondContact CG1-O 3.46Å; Q303-G318 PolarHBondContact N-O 3.42Å; T304-G318 PolarHBondContact N-O 3.27Å; T304-G318 PolarHBondContact O-N 3.06Å
319S95.5Very high92.2Very high0 Ų028.5 Ų28.50%014%0.142CC..EExtended strand (participates in β ladder)trans-128.5159.4-175.6172.70000113.3H298 D300 K301 D321 K322 S323 I345H298-S319 WeakPolarHBondContact ND1-CB 3.23Å; D300-S319 PolarHBondContact O-OG 3.18Å; K301-S319 VanDerWaalsContact O-CA 3.27Å; K301-S319 WeakPolarHBondContact O-CA 3.21Å; K301-S319 WeakPolarHBondContact O-CB 3.28Å; K301-S319 PolarHBondContact O-OG 2.74Å; S319-D321 VanDerWaalsContact CB-OD1 3.29Å; S319-D321 WeakPolarHBondContact CB-OD1 3.36Å; S319-D321 PolarHBondContact O-N 2.85Å; S319-D321 VanDerWaalsContact OG-CG 3.27Å; S319-D321 PolarHBondContact OG-N 3.16Å; S319-D321 VanDerWaalsContact OG-N 3.16Å; S319-D321 PolarHBondContact OG-OD1 2.82Å; S319-K322 PolarHBondContact O-N 2.92Å; S319-S323 PolarHBondContact N-O 3.18Å; S319-I345 PolarHBondContact O-N 2.95Å
320Y94.4Very high92Very high57 Ų5735 Ų3522%0.22416%0.16CC..THydrogen-bonded Turntrans-64.8-13.1169.5-90.2-150.2000113.8K301 Q303 K322 Q344 E346K301-Y320 PolarHBondContact O-N 3.49Å; Q303-Y320 HydrophobicContact CB-CD2 4.44Å; Q303-Y320 HydrophobicContact CB-CE2 4.45Å; Q303-Y320 HydrophobicContact CG-CD2 3.3Å; Q303-Y320 HydrophobicContact CG-CE2 3.14Å; Q303-Y320 HydrophobicContact CG-CG 4.34Å; Q303-Y320 PolarHBondContact NE2-OH 3.47Å; Q303-Y320 VanDerWaalsContact NE2-OH 3.14Å; Y320-K322 PolarHBondContact O-N 3.33Å; Y320-K322 VanDerWaalsContact O-N 3.09Å; Y320-Q344 HydrophobicContact CD2-CB 4.13Å; Y320-Q344 HydrophobicContact CE2-CB 4.35Å; Y320-E346 WeakPolarHBondContact CE2-OE1 3.29Å
321D93.1Very high91.6Very high33 Ų3332 Ų3218%0.17615%0.154CC..THydrogen-bonded Turntrans-73.88.417170.511.5000113.9H298 T299 D300 S319 S323H298-D321 IonicContact CG-OD2 3.3Å; H298-D321 IonicContact ND1-OD1 3.87Å; H298-D321 IonicContact ND1-OD2 2.87Å; H298-D321 PolarHBondContact ND1-OD2 2.84Å; T299-D321 PolarHBondContact N-OD2 2.83Å; T299-D321 WeakPolarHBondContact OG1-CB 3.34Å; T299-D321 PolarHBondContact OG1-OD2 2.69Å; D300-D321 HydrophobicContact CB-CB 3.84Å; S319-D321 VanDerWaalsContact CB-OD1 3.29Å; S319-D321 WeakPolarHBondContact CB-OD1 3.36Å; S319-D321 PolarHBondContact O-N 2.85Å; S319-D321 VanDerWaalsContact OG-CG 3.27Å; S319-D321 PolarHBondContact OG-N 3.16Å; S319-D321 VanDerWaalsContact OG-N 3.16Å; S319-D321 PolarHBondContact OG-OD1 2.82Å; D321-S323 VanDerWaalsContact CG-OG 3.26Å; D321-S323 PolarHBondContact O-N 3.02Å; D321-S323 VanDerWaalsContact OD1-CB 3.23Å; D321-S323 WeakPolarHBondContact OD1-CB 3.24Å; D321-S323 PolarHBondContact OD1-N 2.67Å; D321-S323 PolarHBondContact OD1-OG 2.7Å; D321-S323 PolarHBondContact OD2-OG 2.81Å
322K94.6Very high90.7Very high87 Ų8729.7 Ų29.738%0.37815%0.147SC..SBendtrans6724.3-180-47.2-173.3170.2-160.90113.1S319 Y320 R340 F341 S342 G343 Q344S319-K322 PolarHBondContact O-N 2.92Å; Y320-K322 PolarHBondContact O-N 3.33Å; Y320-K322 VanDerWaalsContact O-N 3.09Å; K322-R340 WeakPolarHBondContact O-CA 3.48Å; K322-F341 PolarHBondContact O-N 3.08Å; K322-S342 WeakPolarHBondContact CD-O 3.22Å; K322-S342 PolarHBondContact NZ-O 2.87Å; K322-G343 WeakPolarHBondContact CA-O 3.26Å; K322-G343 WeakPolarHBondContact CB-O 3.47Å; K322-G343 WeakPolarHBondContact CG-O 3.49Å; K322-Q344 HydrophobicContact CG-CG 4.39Å
323S94.3Very high89.7Confident4 Ų435.9 Ų35.93%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-122.9150.5178.879.10000113.1H298 S319 D321 M338 W339H298-S323 PolarHBondContact CE1-OG 3.37Å; H298-S323 PolarHBondContact ND1-OG 2.81Å; S319-S323 PolarHBondContact N-O 3.18Å; D321-S323 VanDerWaalsContact CG-OG 3.26Å; D321-S323 PolarHBondContact O-N 3.02Å; D321-S323 VanDerWaalsContact OD1-CB 3.23Å; D321-S323 WeakPolarHBondContact OD1-CB 3.24Å; D321-S323 PolarHBondContact OD1-N 2.67Å; D321-S323 PolarHBondContact OD1-OG 2.7Å; D321-S323 PolarHBondContact OD2-OG 2.81Å; S323-M338 WeakPolarHBondContact OG-CE 3.16Å; S323-W339 CarbonylContact C-O 3.54Å; S323-W339 WeakPolarHBondContact CA-O 3.43Å; S323-W339 VanDerWaalsContact CB-O 3.28Å; S323-W339 WeakPolarHBondContact CB-O 3.46Å
324V95.1Very high88.6Confident0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-112.6130.3169175.40000107.6I316 S317 M338 W339 F341 I345 V348 F358 A360I316-V324 HydrophobicContact CG2-CG1 3.29Å; S317-V324 CarbonylContact O-C 3.54Å; S317-V324 VanDerWaalsContact O-CA 3.27Å; S317-V324 WeakPolarHBondContact O-CA 3.47Å; S317-V324 WeakPolarHBondContact O-CG1 3.28Å; V324-M338 WeakPolarHBondContact O-CA 3.45Å; V324-W339 PolarHBondContact N-O 3.4Å; V324-W339 PolarHBondContact O-N 3.17Å; V324-F341 HydrophobicContact CB-CE2 3.78Å; V324-F341 HydrophobicContact CG2-CD2 4.08Å; V324-F341 HydrophobicContact CG2-CE2 3.43Å; V324-F341 VanDerWaalsContact CG2-CE2 3.43Å; V324-F341 HydrophobicContact CG2-CZ 4.21Å; V324-I345 HydrophobicContact CG2-CD1 3.85Å; V324-I345 HydrophobicContact CG2-CG1 3.86Å; V324-I345 HydrophobicContact CG2-CG2 4.13Å; V324-V348 HydrophobicContact CG1-CG2 4.45Å; V324-V348 HydrophobicContact CG2-CG2 4.04Å; V324-F358 HydrophobicContact CG1-CE2 3.86Å; V324-F358 HydrophobicContact CG1-CZ 4.34Å; V324-A360 HydrophobicContact CG2-CB 4.03Å
325A93.6Very high87.8Confident0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-108.6133.3177.900000110.5H298 I316 S317 Y327 R337 M338H298-A325 WeakPolarHBondContact NE2-CB 3.31Å; I316-A325 CarbonylContact C-O 3.53Å; I316-A325 VanDerWaalsContact CA-O 3.24Å; I316-A325 WeakPolarHBondContact CA-O 3.35Å; S317-A325 PolarHBondContact N-O 3.4Å; S317-A325 PolarHBondContact O-N 3.19Å; A325-Y327 HydrophobicContact CB-CD2 4.48Å; A325-Y327 HydrophobicContact CB-CE1 4.11Å; A325-Y327 HydrophobicContact CB-CE2 3.69Å; A325-Y327 VanDerWaalsContact CB-CZ 3.44Å; A325-Y327 VanDerWaalsContact CB-OH 3.31Å; A325-Y327 WeakPolarHBondContact CB-OH 3.15Å; A325-R337 CarbonylContact C-O 3.52Å; A325-R337 WeakPolarHBondContact CA-O 3.49Å; A325-M338 WeakPolarHBondContact CA-SD 3.28Å; A325-M338 HydrophobicContact CB-CE 3.75Å; A325-M338 HydrophobicContact CB-SD 3.2Å; A325-M338 WeakPolarHBondContact CB-SD 3.24Å
326L93.6Very high87.3Confident24 Ų2447.7 Ų47.713%0.12624%0.238CC..EExtended strand (participates in β ladder)trans-105.7127.2166.2176.677000108.6T314 L315 I316 H336 R337 W339 W350 A372T314-L326 HydrophobicContact CG2-CD1 3.41Å; T314-L326 VanDerWaalsContact CG2-CD1 3.41Å; T314-L326 HydrophobicContact CG2-CG 4.34Å; L315-L326 CarbonylContact O-C 3.58Å; L315-L326 WeakPolarHBondContact O-CA 3.41Å; I316-L326 HydrophobicContact CD1-CD1 3.99Å; I316-L326 HydrophobicContact CG1-CB 4.29Å; I316-L326 HydrophobicContact CG1-CD1 3.41Å; I316-L326 VanDerWaalsContact CG1-CD1 3.41Å; I316-L326 HydrophobicContact CG1-CG 4.49Å; L326-H336 CarbonylContact O-C 3.55Å; L326-H336 WeakPolarHBondContact O-CA 3.33Å; L326-R337 HydrophobicContact CB-CB 4.37Å; L326-R337 PolarHBondContact N-O 3.35Å; L326-R337 PolarHBondContact O-N 3.19Å; L326-W339 HydrophobicContact CB-CH2 3.88Å; L326-W339 HydrophobicContact CB-CZ3 3.6Å; L326-W339 HydrophobicContact CD2-CH2 4.04Å; L326-W350 HydrophobicContact CD1-CH2 3.72Å; L326-W350 HydrophobicContact CD1-CZ2 3.57Å; L326-A372 HydrophobicContact CD2-CB 4.18Å
327Y90.3Very high87.1Confident5 Ų552 Ų522%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-113.5147.4179-52.4-83.1000112L295 V297 H298 T314 L315 S317 A325 H336L295-Y327 HydrophobicContact CB-CE1 4.18Å; L295-Y327 HydrophobicContact CD1-CD1 3.9Å; L295-Y327 HydrophobicContact CD1-CD2 4.03Å; L295-Y327 HydrophobicContact CD1-CE1 4.21Å; L295-Y327 HydrophobicContact CD1-CE2 4.31Å; L295-Y327 HydrophobicContact CD1-CG 3.81Å; L295-Y327 HydrophobicContact CD2-CD1 4.01Å; L295-Y327 HydrophobicContact CD2-CE1 4.36Å; L295-Y327 HydrophobicContact CG-CD1 4.4Å; V297-Y327 HydrophobicContact CB-CE1 3.92Å; V297-Y327 HydrophobicContact CG2-CE1 3.67Å; H298-Y327 PolarHBondContact CD2-OH 3.19Å; T314-Y327 WeakPolarHBondContact CA-O 3.48Å; L315-Y327 HydrophobicContact CB-CD2 4.43Å; L315-Y327 HydrophobicContact CD2-CD2 4.23Å; L315-Y327 HydrophobicContact CG-CD2 4.36Å; L315-Y327 PolarHBondContact N-O 3.11Å; L315-Y327 VanDerWaalsContact N-O 3.11Å; L315-Y327 PolarHBondContact O-N 2.8Å; S317-Y327 WeakPolarHBondContact OG-CE2 3.33Å; S317-Y327 PolarHBondContact OG-OH 2.95Å; A325-Y327 HydrophobicContact CB-CD2 4.48Å; A325-Y327 HydrophobicContact CB-CE1 4.11Å; A325-Y327 HydrophobicContact CB-CE2 3.69Å; A325-Y327 VanDerWaalsContact CB-CZ 3.44Å; A325-Y327 VanDerWaalsContact CB-OH 3.31Å; A325-Y327 WeakPolarHBondContact CB-OH 3.15Å; Y327-H336 HydrophobicContact CD1-CB 4.05Å; Y327-H336 HydrophobicContact CE1-CB 4.34Å
328D89.6Confident86.9Confident26 Ų2655 Ų5514%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-97.7109.5155.1-172.3-22000109Q313 R330 S331 S335Q313-D328 CarbonylContact O-C 3.59Å; Q313-D328 WeakPolarHBondContact O-CA 3.29Å; D328-R330 PolarHBondContact O-N 2.59Å; D328-R330 VanDerWaalsContact O-N 3.07Å; D328-R330 VanDerWaalsContact OD1-CB 3.32Å; D328-R330 WeakPolarHBondContact OD1-CB 3.34Å; D328-R330 WeakPolarHBondContact OD1-CG 3.23Å; D328-R330 IonicContact OD1-CZ 2.73Å; D328-R330 PolarHBondContact OD1-N 3.47Å; D328-R330 IonicContact OD1-NE 3.48Å; D328-R330 PolarHBondContact OD1-NE 3.37Å; D328-R330 VanDerWaalsContact OD1-NE 3.07Å; D328-R330 IonicContact OD1-NH2 3.36Å; D328-R330 IonicContact OD2-CZ 2.66Å; D328-R330 IonicContact OD2-NE 3.93Å; D328-R330 PolarHBondContact OD2-NE 3.49Å; D328-R330 IonicContact OD2-NH2 3.07Å; D328-R330 PolarHBondContact OD2-NH2 3.31Å; D328-S331 CarbonylContact O-C 3.53Å; D328-S331 PolarHBondContact O-N 2.95Å; D328-S335 PolarHBondContact N-O 2.75Å; D328-S335 VanDerWaalsContact N-O 3.17Å
329C84.2Confident86.8Confident28 Ų2855.6 Ų55.619%0.18927%0.271CS..THydrogen-bonded Turntrans-61.8-15.1-178.4-61.10000113.6L283 Q313 S331L283-C329 HydrophobicContact CD1-CB 3.72Å; Q313-C329 WeakPolarHBondContact O-CB 3.12Å; Q313-C329 PolarHBondContact O-N 2.87Å; Q313-C329 PolarHBondContact O-SG 2.81Å; Q313-C329 VanDerWaalsContact O-SG 3.32Å; C329-S331 VanDerWaalsContact C-N 3.34Å
330R83.3Confident86.7Confident178 Ų17865.8 Ų65.867%0.67231%0.309SS*.THydrogen-bonded Turntrans-78.1-21.4174.6-59.1174.3-61.8167.94.2112.6Q313 D328Q313-R330 HydrophobicContact CB-CG 4Å; D328-R330 PolarHBondContact O-N 2.59Å; D328-R330 VanDerWaalsContact O-N 3.07Å; D328-R330 VanDerWaalsContact OD1-CB 3.32Å; D328-R330 WeakPolarHBondContact OD1-CB 3.34Å; D328-R330 WeakPolarHBondContact OD1-CG 3.23Å; D328-R330 IonicContact OD1-CZ 2.73Å; D328-R330 PolarHBondContact OD1-N 3.47Å; D328-R330 IonicContact OD1-NE 3.48Å; D328-R330 PolarHBondContact OD1-NE 3.37Å; D328-R330 VanDerWaalsContact OD1-NE 3.07Å; D328-R330 IonicContact OD1-NH2 3.36Å; D328-R330 IonicContact OD2-CZ 2.66Å; D328-R330 IonicContact OD2-NE 3.93Å; D328-R330 PolarHBondContact OD2-NE 3.49Å; D328-R330 IonicContact OD2-NH2 3.07Å; D328-R330 PolarHBondContact OD2-NH2 3.31Å
331S80.7Confident86.6Confident55 Ų5564.4 Ų64.439%0.38530%0.304SS..  trans-141.870.3-175.4-61.80000109.9D328 C329 D333 E334 S335D328-S331 CarbonylContact O-C 3.53Å; D328-S331 PolarHBondContact O-N 2.95Å; C329-S331 VanDerWaalsContact C-N 3.34Å; S331-D333 PolarHBondContact O-N 3.5Å; S331-E334 PolarHBondContact O-N 2.89Å; S331-S335 PolarHBondContact O-N 2.98Å
332P70.9Confident86.4Confident36 Ų3665.6 Ų65.623%0.23432%0.316CS..THydrogen-bonded Turntrans-58.6-30.4-172.221.2-33000114.1L295L295-P332 HydrophobicContact CD2-CB 3.3Å; L295-P332 HydrophobicContact CG-CB 4.48Å
333D68.3Low86.3Confident146 Ų14661.5 Ų61.578%0.78130%0.298SS*.THydrogen-bonded Turntrans-88.2-20.3-174.1-64.5-42.2000114.6S331S331-D333 PolarHBondContact O-N 3.5Å
334E67.1Low86.3Confident179 Ų17964.1 Ų64.184%0.83631%0.31SS*.THydrogen-bonded Turntrans-119.6-22.2-166.6-68.8-171.8166.800114.9S331S331-E334 PolarHBondContact O-N 2.89Å
335S76.6Confident86.3Confident59 Ų5964.1 Ų64.141%0.41331%0.31SS..  trans-123.177.9-171.4-179.20000112.2D328 S331D328-S335 PolarHBondContact N-O 2.75Å; D328-S335 VanDerWaalsContact N-O 3.17Å; S331-S335 PolarHBondContact O-N 2.98Å
336H82.6Confident86.4Confident85 Ų8565.2 Ų65.239%0.39432%0.315SS..EExtended strand (participates in β ladder)trans-123.7143.7167.165.2-87.7000112.1L326 Y327L326-H336 CarbonylContact O-C 3.55Å; L326-H336 WeakPolarHBondContact O-CA 3.33Å; Y327-H336 HydrophobicContact CD1-CB 4.05Å; Y327-H336 HydrophobicContact CE1-CB 4.34Å
337R89.9Confident86.4Confident91 Ų9168 Ų6834%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-116.9141169.4-66.4-175.868.6166.43.7109.2A325 L326 W339 A372 R373 D375A325-R337 CarbonylContact C-O 3.52Å; A325-R337 WeakPolarHBondContact CA-O 3.49Å; L326-R337 HydrophobicContact CB-CB 4.37Å; L326-R337 PolarHBondContact N-O 3.35Å; L326-R337 PolarHBondContact O-N 3.19Å; R337-W339 HydrophobicContact CB-CH2 3.78Å; R337-W339 HydrophobicContact CB-CZ2 4.34Å; R337-W339 HydrophobicContact CB-CZ3 4.04Å; R337-A372 PolarHBondContact NH1-O 2.52Å; R337-R373 PolarHBondContact NH1-O 3.12Å; R337-R373 VanDerWaalsContact NH1-O 3.08Å; R337-R373 PolarHBondContact NH2-O 2.95Å; R337-D375 IonicContact NH2-OD1 2.99Å; R337-D375 PolarHBondContact NH2-OD1 2.85Å
338M91.7Very high86.7Confident61 Ų6167.9 Ų67.930%0.332%0.323SS..EExtended strand (participates in β ladder)trans-125.3135.9-177-58.3-63.1-63.100111V297 S323 V324 A325V297-M338 HydrophobicContact CG1-CE 4.27Å; V297-M338 HydrophobicContact CG1-CG 4.47Å; V297-M338 HydrophobicContact CG1-SD 3.64Å; S323-M338 WeakPolarHBondContact OG-CE 3.16Å; V324-M338 WeakPolarHBondContact O-CA 3.45Å; A325-M338 WeakPolarHBondContact CA-SD 3.28Å; A325-M338 HydrophobicContact CB-CE 3.75Å; A325-M338 HydrophobicContact CB-SD 3.2Å; A325-M338 WeakPolarHBondContact CB-SD 3.24Å
339W94Very high86.9Confident14 Ų1467.2 Ų67.25%0.05332%0.321CS..EExtended strand (participates in β ladder)trans-115.7146.7167.3-60.8-96.6000109.4S323 V324 L326 R337 F341 F358 L370 S374S323-W339 CarbonylContact C-O 3.54Å; S323-W339 WeakPolarHBondContact CA-O 3.43Å; S323-W339 VanDerWaalsContact CB-O 3.28Å; S323-W339 WeakPolarHBondContact CB-O 3.46Å; V324-W339 PolarHBondContact N-O 3.4Å; V324-W339 PolarHBondContact O-N 3.17Å; L326-W339 HydrophobicContact CB-CH2 3.88Å; L326-W339 HydrophobicContact CB-CZ3 3.6Å; L326-W339 HydrophobicContact CD2-CH2 4.04Å; R337-W339 HydrophobicContact CB-CH2 3.78Å; R337-W339 HydrophobicContact CB-CZ2 4.34Å; R337-W339 HydrophobicContact CB-CZ3 4.04Å; W339-F341 HydrophobicContact CB-CE2 3.78Å; W339-F341 HydrophobicContact CB-CZ 3.86Å; W339-F358 HydrophobicContact CD2-CZ 4.09Å; W339-F358 HydrophobicContact CE3-CE1 4.46Å; W339-F358 AromaticContact CE3-CZ 3.9Å; W339-F358 HydrophobicContact CE3-CZ 3.9Å; W339-F358 HydrophobicContact CH2-CE1 4.17Å; W339-F358 HydrophobicContact CH2-CZ 4.41Å; W339-F358 HydrophobicContact CZ2-CE1 4.34Å; W339-F358 HydrophobicContact CZ3-CE1 4.23Å; W339-F358 HydrophobicContact CZ3-CZ 4.08Å; W339-L370 HydrophobicContact CB-CD2 4.42Å; W339-L370 HydrophobicContact CG-CD2 3.98Å; W339-S374 PolarHBondContact NE1-O 2.81Å; W339-S374 VanDerWaalsContact NE1-O 3.11Å
340R93Very high87.4Confident214 Ų21466.3 Ų66.381%0.80831%0.313SS*.EExtended strand (participates in β ladder)trans-116.6139.5177.7-73.7-171.4170.993.22.4110.9K322K322-R340 WeakPolarHBondContact O-CA 3.48Å
341F92.3Very high87.8Confident27 Ų2758.4 Ų58.412%0.11828%0.284CS..  trans-120.6171.7-175.1-60.3-84.1000111.5K322 V324 W339 I345 A360 T362 Y368 L370K322-F341 PolarHBondContact O-N 3.08Å; V324-F341 HydrophobicContact CB-CE2 3.78Å; V324-F341 HydrophobicContact CG2-CD2 4.08Å; V324-F341 HydrophobicContact CG2-CE2 3.43Å; V324-F341 VanDerWaalsContact CG2-CE2 3.43Å; V324-F341 HydrophobicContact CG2-CZ 4.21Å; W339-F341 HydrophobicContact CB-CE2 3.78Å; W339-F341 HydrophobicContact CB-CZ 3.86Å; F341-I345 HydrophobicContact CB-CD1 4.11Å; F341-I345 HydrophobicContact CD2-CD1 3.5Å; F341-I345 VanDerWaalsContact CD2-CD1 3.5Å; F341-I345 HydrophobicContact CD2-CG1 4.28Å; F341-I345 HydrophobicContact CE2-CD1 4.11Å; F341-I345 HydrophobicContact CG-CD1 3.84Å; F341-A360 HydrophobicContact CZ-CB 4.37Å; F341-T362 HydrophobicContact CB-CG2 4.25Å; F341-Y368 HydrophobicContact CB-CE2 4.46Å; F341-Y368 AromaticContact CD1-CD1 3.83Å; F341-Y368 HydrophobicContact CD1-CD1 3.83Å; F341-Y368 AromaticContact CD1-CD2 3.54Å; F341-Y368 HydrophobicContact CD1-CD2 3.54Å; F341-Y368 HydrophobicContact CD1-CE1 4.08Å; F341-Y368 AromaticContact CD1-CE2 3.82Å; F341-Y368 HydrophobicContact CD1-CE2 3.82Å; F341-Y368 AromaticContact CD1-CG 3.55Å; F341-Y368 HydrophobicContact CD1-CG 3.55Å; F341-Y368 AromaticContact CE1-CD1 3.95Å; F341-Y368 HydrophobicContact CE1-CD1 3.95Å; F341-Y368 AromaticContact CE1-CD2 3.95Å; F341-Y368 HydrophobicContact CE1-CD2 3.95Å; F341-Y368 AromaticContact CE1-CG 3.57Å; F341-Y368 HydrophobicContact CE1-CG 3.57Å; F341-Y368 HydrophobicContact CG-CD2 4.46Å; F341-L370 HydrophobicContact CE1-CD1 3.82Å; F341-L370 HydrophobicContact CE1-CD2 4.36Å; F341-L370 HydrophobicContact CZ-CD1 3.74Å; F341-L370 HydrophobicContact CZ-CD2 4.18Å
342S89.3Confident88.1Confident59 Ų5957.9 Ų57.941%0.41328%0.276SS..SBendtrans-70.3-40.4177.1510000112.6K322 D364 Y368K322-S342 WeakPolarHBondContact CD-O 3.22Å; K322-S342 PolarHBondContact NZ-O 2.87Å; S342-D364 WeakPolarHBondContact CB-OD2 3.37Å; S342-D364 PolarHBondContact OG-OD2 3.07Å; S342-Y368 PolarHBondContact OG-OH 2.9Å
343G91.3Very high89Confident1 Ų157.9 Ų57.91%0.0127%0.272CS..SBendtrans-110.6171.3-174.800000113.9K322 D363K322-G343 WeakPolarHBondContact CA-O 3.26Å; K322-G343 WeakPolarHBondContact CB-O 3.47Å; K322-G343 WeakPolarHBondContact CG-O 3.49Å; G343-D363 WeakPolarHBondContact CA-OD1 3.49Å
344Q94.7Very high89.9Confident58 Ų5852 Ų5227%0.27124%0.242SC..  trans-68.2145.9170.1-60.1179-28.300109.1Y320 K322 T362 D363Y320-Q344 HydrophobicContact CD2-CB 4.13Å; Y320-Q344 HydrophobicContact CE2-CB 4.35Å; K322-Q344 HydrophobicContact CG-CG 4.39Å; Q344-T362 CarbonylContact O-C 3.51Å; Q344-T362 WeakPolarHBondContact O-CA 3.32Å; Q344-T362 WeakPolarHBondContact O-CB 3.46Å; Q344-D363 HydrophobicContact CB-CB 4.19Å; Q344-D363 PolarHBondContact N-OD1 2.94Å; Q344-D363 PolarHBondContact O-N 2.9Å
345I95.8Very high90.8Very high0 Ų046.3 Ų46.30%022%0.221CC..EExtended strand (participates in β ladder)trans-90.6125.1-177.5-56.7-69000109.6T304 S319 V324 F341 V348 A360 S361 T362T304-I345 HydrophobicContact CG2-CG2 4.16Å; S319-I345 PolarHBondContact O-N 2.95Å; V324-I345 HydrophobicContact CG2-CD1 3.85Å; V324-I345 HydrophobicContact CG2-CG1 3.86Å; V324-I345 HydrophobicContact CG2-CG2 4.13Å; F341-I345 HydrophobicContact CB-CD1 4.11Å; F341-I345 HydrophobicContact CD2-CD1 3.5Å; F341-I345 VanDerWaalsContact CD2-CD1 3.5Å; F341-I345 HydrophobicContact CD2-CG1 4.28Å; F341-I345 HydrophobicContact CE2-CD1 4.11Å; F341-I345 HydrophobicContact CG-CD1 3.84Å; I345-V348 HydrophobicContact CG2-CG2 3.62Å; I345-A360 HydrophobicContact CD1-CB 4.29Å; I345-S361 WeakPolarHBondContact CA-O 3.07Å; I345-T362 HydrophobicContact CD1-CG2 3.69Å
346E94.6Very high91.4Very high24 Ų2445 Ų4511%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-97-51-179.8-70.2-58.4129.600111.7Y320 S361 E387 I388Y320-E346 WeakPolarHBondContact CE2-OE1 3.29Å; E346-S361 PolarHBondContact N-O 2.87Å; E346-E387 HydrophobicContact CG-CB 4.24Å; E346-I388 VanDerWaalsContact CB-O 3.29Å; E346-I388 WeakPolarHBondContact CB-O 3.34Å
347R95Very high91.9Very high82 Ų8243.1 Ų43.131%0.30920%0.203SC..EExtended strand (participates in β ladder)trans-138.9143.3-178.7-152.670.6169.5159.62111.6D261 S361 L391D261-R347 IonicContact OD1-CZ 3.84Å; D261-R347 IonicContact OD1-NH1 3.66Å; D261-R347 PolarHBondContact OD1-NH1 3.19Å; D261-R347 IonicContact OD1-NH2 2.61Å; D261-R347 IonicContact OD2-CZ 3.87Å; D261-R347 IonicContact OD2-NH1 3.06Å; D261-R347 PolarHBondContact OD2-NH1 3.39Å; R347-S361 WeakPolarHBondContact CB-OG 3.13Å; R347-S361 PolarHBondContact N-OG 2.82Å; R347-S361 PolarHBondContact O-N 3.42Å; R347-S361 PolarHBondContact O-OG 2.88Å; R347-L391 HydrophobicContact CB-CB 3.88Å; R347-L391 HydrophobicContact CB-CD2 4.49Å; R347-L391 HydrophobicContact CG-CB 3.98Å
348V95.5Very high92.1Very high2 Ų238.8 Ų38.81%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-127131.6172.5179.50000110.1T304 I316 V324 I345 F358 L359 A360T304-V348 HydrophobicContact CG2-CB 3.97Å; T304-V348 HydrophobicContact CG2-CG2 3.68Å; T304-V348 PolarHBondContact OG1-N 2.73Å; I316-V348 HydrophobicContact CB-CG1 4.21Å; I316-V348 HydrophobicContact CG2-CB 4.27Å; I316-V348 HydrophobicContact CG2-CG1 3.43Å; I316-V348 VanDerWaalsContact CG2-CG1 3.43Å; I316-V348 HydrophobicContact CG2-CG2 4.49Å; V324-V348 HydrophobicContact CG1-CG2 4.45Å; V324-V348 HydrophobicContact CG2-CG2 4.04Å; I345-V348 HydrophobicContact CG2-CG2 3.62Å; V348-F358 HydrophobicContact CG1-CD2 4.19Å; V348-L359 WeakPolarHBondContact CA-O 3.37Å; V348-L359 WeakPolarHBondContact CG1-O 3.37Å; V348-A360 HydrophobicContact CG2-CB 4.15Å
349T94.8Very high92.3Very high13 Ų1335.9 Ų35.98%0.0817%0.172CC..EExtended strand (participates in β ladder)trans-135125.6-178.7-70.20000111.2Q306 F358 L359 L391 L393Q306-T349 VanDerWaalsContact OE1-CA 3.23Å; T349-F358 WeakPolarHBondContact O-CA 3.47Å; T349-L359 PolarHBondContact N-O 2.95Å; T349-L359 PolarHBondContact O-N 2.96Å; T349-L391 PolarHBondContact OG1-O 3.19Å; T349-L393 HydrophobicContact CG2-CD1 4.18Å; T349-L393 HydrophobicContact CG2-CG 4.41Å
350W94.4Very high92.3Very high8 Ų835.2 Ų35.23%0.0317%0.169CC..EExtended strand (participates in β ladder)trans-67.6138.6168.5-77.4108.7000111.4Q306 H308 P309 T314 I316 L326 H352 P355 F358 A372Q306-W350 PolarHBondContact O-NE1 3.38Å; Q306-W350 VanDerWaalsContact O-NE1 3.15Å; H308-W350 HydrophobicContact CB-CD2 4.47Å; H308-W350 HydrophobicContact CB-CZ2 4.1Å; H308-W350 AromaticContact CD2-CD2 3.64Å; H308-W350 AromaticContact CD2-CE2 3.74Å; H308-W350 AromaticContact CD2-CE3 3.59Å; H308-W350 AromaticContact CD2-CH2 3.75Å; H308-W350 AromaticContact CD2-CZ2 3.75Å; H308-W350 AromaticContact CD2-CZ3 3.69Å; P309-W350 HydrophobicContact CG-CB 4.25Å; T314-W350 HydrophobicContact CG2-CH2 4.2Å; T314-W350 HydrophobicContact CG2-CZ2 3.8Å; I316-W350 HydrophobicContact CB-CZ2 4.42Å; I316-W350 HydrophobicContact CD1-CD2 3.91Å; I316-W350 HydrophobicContact CD1-CE3 4.16Å; I316-W350 HydrophobicContact CD1-CH2 3.4Å; I316-W350 HydrophobicContact CD1-CZ2 3.09Å; I316-W350 HydrophobicContact CD1-CZ3 3.91Å; I316-W350 HydrophobicContact CG1-CH2 4.04Å; I316-W350 HydrophobicContact CG1-CZ2 3.32Å; L326-W350 HydrophobicContact CD1-CH2 3.72Å; L326-W350 HydrophobicContact CD1-CZ2 3.57Å; W350-H352 PolarHBondContact O-N 3.44Å; W350-P355 WeakPolarHBondContact CZ3-O 3.09Å; W350-F358 HydrophobicContact CD2-CB 4.17Å; W350-F358 HydrophobicContact CE3-CB 3.74Å; W350-F358 HydrophobicContact CZ3-CB 4.08Å; W350-F358 HydrophobicContact CZ3-CD1 4.28Å; W350-A372 HydrophobicContact CH2-CB 4.06Å; W350-A372 HydrophobicContact CZ3-CB 4.16Å
351N91.6Very high92.5Very high13 Ų1325 Ų257%0.0713%0.131CC..  trans-81.299.7170.7-169.3-21.5000110.2F353 S354 H357 L393N351-F353 PolarHBondContact O-N 3.31Å; N351-F353 VanDerWaalsContact O-N 3.08Å; N351-F353 WeakPolarHBondContact OD1-CB 3.49Å; N351-F353 PolarHBondContact OD1-N 2.8Å; N351-S354 WeakPolarHBondContact CB-OG 3.34Å; N351-S354 PolarHBondContact ND2-OG 3.02Å; N351-S354 VanDerWaalsContact ND2-OG 3.12Å; N351-S354 CarbonylContact O-C 3.58Å; N351-S354 PolarHBondContact O-N 3.49Å; N351-S354 PolarHBondContact OD1-N 3.06Å; N351-H357 HydrophobicContact CB-CB 4.05Å; N351-H357 VanDerWaalsContact CB-O 3.3Å; N351-H357 WeakPolarHBondContact CB-O 3.45Å; N351-H357 PolarHBondContact N-O 3.05Å; N351-L393 HydrophobicContact CB-CD1 3.97Å
352H87.6Confident92.6Very high44 Ų4423.7 Ų23.720%0.20413%0.125CC..THydrogen-bonded Turntrans-66.3-7.517864.1-88.7000114.1P309 F310 W350 S394 S395P309-H352 HydrophobicContact CB-CB 4.26Å; P309-H352 HydrophobicContact CG-CB 4.04Å; F310-H352 WeakPolarHBondContact CE2-O 3.48Å; F310-H352 WeakPolarHBondContact CZ-O 3.47Å; W350-H352 PolarHBondContact O-N 3.44Å; H352-S394 PolarHBondContact CE1-O 3.3Å; H352-S394 PolarHBondContact NE2-O 3.14Å; H352-S394 VanDerWaalsContact NE2-O 3.09Å; H352-S395 PolarHBondContact NE2-O 3.28Å
353F88.5Confident92.8Very high35 Ų3523.1 Ų23.115%0.15412%0.117CC..THydrogen-bonded Turntrans-89.9-20.3169.5-59.4-71.3000113.7N351 S394 I397 K398 L476N351-F353 PolarHBondContact O-N 3.31Å; N351-F353 VanDerWaalsContact O-N 3.08Å; N351-F353 WeakPolarHBondContact OD1-CB 3.49Å; N351-F353 PolarHBondContact OD1-N 2.8Å; F353-S394 VanDerWaalsContact CE2-O 3.29Å; F353-S394 WeakPolarHBondContact CE2-O 3.46Å; F353-S394 WeakPolarHBondContact CZ-O 3.26Å; F353-I397 WeakPolarHBondContact CE2-O 3.29Å; F353-I397 VanDerWaalsContact CZ-C 3.43Å; F353-K398 HydrophobicContact CB-CG 4.01Å; F353-K398 HydrophobicContact CD1-CB 4.47Å; F353-K398 HydrophobicContact CD1-CD 4.09Å; F353-K398 HydrophobicContact CD1-CG 3.28Å; F353-K398 HydrophobicContact CD2-CG 4.05Å; F353-K398 HydrophobicContact CE1-CG 3.61Å; F353-K398 HydrophobicContact CE2-CG 4.32Å; F353-K398 HydrophobicContact CG-CB 4.43Å; F353-K398 HydrophobicContact CG-CD 4.41Å; F353-K398 HydrophobicContact CG-CG 3.51Å; F353-K398 HydrophobicContact CZ-CG 4.13Å; F353-L476 HydrophobicContact CD1-CD1 4.05Å; F353-L476 HydrophobicContact CE1-CB 3.82Å; F353-L476 HydrophobicContact CE1-CD1 4.06Å; F353-L476 HydrophobicContact CE1-CG 4.38Å
354S88.2Confident92.9Very high23 Ų2325.6 Ų25.616%0.16113%0.131CC..SBendtrans-139.196.6179.856.60000108.8N351 C356 H357N351-S354 WeakPolarHBondContact CB-OG 3.34Å; N351-S354 PolarHBondContact ND2-OG 3.02Å; N351-S354 VanDerWaalsContact ND2-OG 3.12Å; N351-S354 CarbonylContact O-C 3.58Å; N351-S354 PolarHBondContact O-N 3.49Å; N351-S354 PolarHBondContact OD1-N 3.06Å; S354-C356 PolarHBondContact O-N 3.33Å; S354-H357 PolarHBondContact O-N 2.82Å; S354-H357 WeakPolarHBondContact OG-CB 3.49Å; S354-H357 PolarHBondContact OG-ND1 2.86Å; S354-H357 VanDerWaalsContact OG-ND1 3.13Å
355P85.4Confident92.8Very high59 Ų5922.9 Ų22.938%0.38312%0.118SC..THydrogen-bonded Turntrans-52.6-33.1-171.7-27.833.5000114.1H308 F310 W350 H357H308-P355 PolarHBondContact CD2-O 2.91Å; H308-P355 PolarHBondContact NE2-O 2.88Å; F310-P355 HydrophobicContact CD2-CB 4.13Å; F310-P355 HydrophobicContact CD2-CG 3.8Å; F310-P355 HydrophobicContact CE2-CG 4.05Å; W350-P355 WeakPolarHBondContact CZ3-O 3.09Å; P355-H357 VanDerWaalsContact C-N 3.32Å; P355-H357 PolarHBondContact O-N 2.9Å
356C89.4Confident92.8Very high31 Ų3125.7 Ų25.721%0.20913%0.13CC..THydrogen-bonded Turntrans-77-12.4-179.553.20000114.6S354 D371 A372 R373S354-C356 PolarHBondContact O-N 3.33Å; C356-D371 WeakPolarHBondContact CB-OD1 3.41Å; C356-D371 CarbonylContact O-C 3.57Å; C356-D371 WeakPolarHBondContact O-CA 3.29Å; C356-A372 WeakPolarHBondContact O-CB 3.4Å; C356-A372 PolarHBondContact O-N 3.48Å; C356-R373 PolarHBondContact SG-NH2 3.27Å
357H92.8Very high92.8Very high46 Ų4624.5 Ų24.521%0.21313%0.125CC..EExtended strand (participates in β ladder)trans-103.6141.3-174.4-56.6165000112.3N351 S354 P355 L370 D371 I378N351-H357 HydrophobicContact CB-CB 4.05Å; N351-H357 VanDerWaalsContact CB-O 3.3Å; N351-H357 WeakPolarHBondContact CB-O 3.45Å; N351-H357 PolarHBondContact N-O 3.05Å; S354-H357 PolarHBondContact O-N 2.82Å; S354-H357 WeakPolarHBondContact OG-CB 3.49Å; S354-H357 PolarHBondContact OG-ND1 2.86Å; S354-H357 VanDerWaalsContact OG-ND1 3.13Å; P355-H357 VanDerWaalsContact C-N 3.32Å; P355-H357 PolarHBondContact O-N 2.9Å; H357-L370 CarbonylContact C-O 3.33Å; H357-L370 WeakPolarHBondContact CA-O 3.42Å; H357-D371 IonicContact NE2-OD2 3.51Å; H357-I378 WeakPolarHBondContact NE2-CD1 3.46Å
358F94.6Very high92.8Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-133.9155.6170.269.5-87.9000110.5I316 V324 W339 V348 T349 W350 N369 L370 A372I316-F358 HydrophobicContact CD1-CB 3.71Å; I316-F358 HydrophobicContact CD1-CD1 3.64Å; I316-F358 HydrophobicContact CD1-CD2 3.96Å; I316-F358 HydrophobicContact CD1-CE1 4.2Å; I316-F358 HydrophobicContact CD1-CE2 4.48Å; I316-F358 HydrophobicContact CD1-CG 3.49Å; I316-F358 VanDerWaalsContact CD1-CG 3.49Å; V324-F358 HydrophobicContact CG1-CE2 3.86Å; V324-F358 HydrophobicContact CG1-CZ 4.34Å; W339-F358 HydrophobicContact CD2-CZ 4.09Å; W339-F358 HydrophobicContact CE3-CE1 4.46Å; W339-F358 AromaticContact CE3-CZ 3.9Å; W339-F358 HydrophobicContact CE3-CZ 3.9Å; W339-F358 HydrophobicContact CH2-CE1 4.17Å; W339-F358 HydrophobicContact CH2-CZ 4.41Å; W339-F358 HydrophobicContact CZ2-CE1 4.34Å; W339-F358 HydrophobicContact CZ3-CE1 4.23Å; W339-F358 HydrophobicContact CZ3-CZ 4.08Å; V348-F358 HydrophobicContact CG1-CD2 4.19Å; T349-F358 WeakPolarHBondContact O-CA 3.47Å; W350-F358 HydrophobicContact CD2-CB 4.17Å; W350-F358 HydrophobicContact CE3-CB 3.74Å; W350-F358 HydrophobicContact CZ3-CB 4.08Å; W350-F358 HydrophobicContact CZ3-CD1 4.28Å; F358-N369 PolarHBondContact O-OD1 3.02Å; F358-L370 HydrophobicContact CD1-CB 4.39Å; F358-L370 HydrophobicContact CD2-CD1 4.5Å; F358-L370 HydrophobicContact CE1-CB 3.79Å; F358-L370 HydrophobicContact CE2-CB 4.26Å; F358-L370 HydrophobicContact CE2-CD1 3.79Å; F358-L370 HydrophobicContact CZ-CB 3.72Å; F358-L370 HydrophobicContact CZ-CD1 3.96Å; F358-L370 HydrophobicContact CZ-CD2 4.38Å; F358-L370 HydrophobicContact CZ-CG 4.23Å; F358-L370 PolarHBondContact N-O 2.84Å; F358-L370 PolarHBondContact O-N 3.05Å; F358-A372 HydrophobicContact CD1-CB 4.2Å; F358-A372 HydrophobicContact CE1-CB 4.25Å
359L94.9Very high92.7Very high0 Ų022.2 Ų22.20%012%0.116CC..EExtended strand (participates in β ladder)trans-111.3136.3177.3-64.4165.8000108.7V348 T349 V367 Y368 N369 F379 L391 L393 L401 I415V348-L359 WeakPolarHBondContact CA-O 3.37Å; V348-L359 WeakPolarHBondContact CG1-O 3.37Å; T349-L359 PolarHBondContact N-O 2.95Å; T349-L359 PolarHBondContact O-N 2.96Å; L359-V367 HydrophobicContact CD2-CG1 4.17Å; L359-Y368 CarbonylContact C-O 3.56Å; L359-Y368 VanDerWaalsContact CA-O 3.26Å; L359-Y368 WeakPolarHBondContact CA-O 3.46Å; L359-N369 HydrophobicContact CD2-CB 3.48Å; L359-N369 VanDerWaalsContact CD2-CB 3.48Å; L359-F379 HydrophobicContact CD2-CZ 4.3Å; L359-L391 HydrophobicContact CB-CD2 3.83Å; L359-L393 HydrophobicContact CD1-CD1 3.99Å; L359-L393 HydrophobicContact CD1-CD2 3.89Å; L359-L393 HydrophobicContact CD1-CG 4Å; L359-L401 HydrophobicContact CD1-CD1 3.74Å; L359-L401 HydrophobicContact CD1-CD2 4.36Å; L359-I415 HydrophobicContact CD1-CD1 4.31Å
360A95.4Very high92.6Very high0 Ų021.7 Ų21.70%011%0.113CC..EExtended strand (participates in β ladder)trans-124.9129.5172.200000109.1V324 F341 I345 V348 V367 Y368V324-A360 HydrophobicContact CG2-CB 4.03Å; F341-A360 HydrophobicContact CZ-CB 4.37Å; I345-A360 HydrophobicContact CD1-CB 4.29Å; V348-A360 HydrophobicContact CG2-CB 4.15Å; A360-V367 WeakPolarHBondContact O-CA 3.48Å; A360-Y368 PolarHBondContact N-O 3.07Å; A360-Y368 PolarHBondContact O-N 3.36Å
361S95.6Very high92.5Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-101.3149.7173.268.70000111.2I345 E346 R347 F366 I388I345-S361 WeakPolarHBondContact CA-O 3.07Å; E346-S361 PolarHBondContact N-O 2.87Å; R347-S361 WeakPolarHBondContact CB-OG 3.13Å; R347-S361 PolarHBondContact N-OG 2.82Å; R347-S361 PolarHBondContact O-N 3.42Å; R347-S361 PolarHBondContact O-OG 2.88Å; S361-F366 WeakPolarHBondContact CA-O 3.5Å; S361-I388 PolarHBondContact OG-O 3.08Å; S361-I388 VanDerWaalsContact OG-O 3.08Å
362T95.2Very high92.4Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-122.6162.5-177.946.80000113.3F341 Q344 I345 D364 G365 F366 Y368 I388F341-T362 HydrophobicContact CB-CG2 4.25Å; Q344-T362 CarbonylContact O-C 3.51Å; Q344-T362 WeakPolarHBondContact O-CA 3.32Å; Q344-T362 WeakPolarHBondContact O-CB 3.46Å; I345-T362 HydrophobicContact CD1-CG2 3.69Å; T362-D364 VanDerWaalsContact C-N 3.27Å; T362-D364 WeakPolarHBondContact CB-OD1 3.4Å; T362-D364 PolarHBondContact O-N 2.96Å; T362-D364 PolarHBondContact OG1-OD1 3.4Å; T362-G365 PolarHBondContact O-N 2.89Å; T362-F366 PolarHBondContact N-O 2.78Å; T362-F366 WeakPolarHBondContact OG1-CB 3.39Å; T362-F366 PolarHBondContact OG1-N 2.99Å; T362-F366 PolarHBondContact OG1-O 3.06Å; T362-Y368 HydrophobicContact CG2-CD2 4.19Å; T362-Y368 HydrophobicContact CG2-CE2 3.8Å; T362-I388 PolarHBondContact O-N 3.4Å
363D94.4Very high92.4Very high46 Ų4628.1 Ų28.125%0.24614%0.139CC..THydrogen-bonded Turntrans-61.3-31.4173.367.9-25.4000113.2G343 Q344 G365 D386 E387G343-D363 WeakPolarHBondContact CA-OD1 3.49Å; Q344-D363 HydrophobicContact CB-CB 4.19Å; Q344-D363 PolarHBondContact N-OD1 2.94Å; Q344-D363 PolarHBondContact O-N 2.9Å; D363-G365 PolarHBondContact O-N 2.83Å; D363-D386 CarbonylContact O-C 3.39Å; D363-E387 HydrophobicContact CB-CB 4.34Å; D363-E387 VanDerWaalsContact O-CA 3.25Å; D363-E387 WeakPolarHBondContact O-CA 3.19Å; D363-E387 PolarHBondContact O-N 3.3Å; D363-E387 VanDerWaalsContact O-N 3.09Å
364D93.1Very high92.4Very high54 Ų5428.8 Ų28.829%0.28915%0.148SC..THydrogen-bonded Turntrans-79.17178.364.50.1000114.1S342 T362 F366S342-D364 WeakPolarHBondContact CB-OD2 3.37Å; S342-D364 PolarHBondContact OG-OD2 3.07Å; T362-D364 VanDerWaalsContact C-N 3.27Å; T362-D364 WeakPolarHBondContact CB-OD1 3.4Å; T362-D364 PolarHBondContact O-N 2.96Å; T362-D364 PolarHBondContact OG1-OD1 3.4Å; D364-F366 HydrophobicContact CB-CD2 4.19Å; D364-F366 VanDerWaalsContact CG-CD2 3.44Å; D364-F366 WeakPolarHBondContact O-CD2 3.49Å; D364-F366 VanDerWaalsContact OD1-CD2 3.29Å; D364-F366 WeakPolarHBondContact OD1-CD2 3.12Å
365G92.8Very high92.2Very high0 Ų033.2 Ų33.20%017%0.17CC..SBendtrans83.113.1174.500000114.9T362 D363 A383 H384 D386 I388T362-G365 PolarHBondContact O-N 2.89Å; D363-G365 PolarHBondContact O-N 2.83Å; G365-A383 PolarHBondContact O-N 2.64Å; G365-H384 WeakPolarHBondContact CA-O 3.34Å; G365-H384 PolarHBondContact O-N 3.26Å; G365-D386 VanDerWaalsContact CA-O 3.27Å; G365-D386 WeakPolarHBondContact CA-O 3.47Å; G365-I388 WeakPolarHBondContact O-CD1 3.5Å
366F95.2Very high92.2Very high59 Ų5938.1 Ų38.126%0.25919%0.185SC..EExtended strand (participates in β ladder)trans-93.1149.6175.7-69.9-96.3000112.4S361 T362 D364 Y368 T380 L381 N382S361-F366 WeakPolarHBondContact CA-O 3.5Å; T362-F366 PolarHBondContact N-O 2.78Å; T362-F366 WeakPolarHBondContact OG1-CB 3.39Å; T362-F366 PolarHBondContact OG1-N 2.99Å; T362-F366 PolarHBondContact OG1-O 3.06Å; D364-F366 HydrophobicContact CB-CD2 4.19Å; D364-F366 VanDerWaalsContact CG-CD2 3.44Å; D364-F366 WeakPolarHBondContact O-CD2 3.49Å; D364-F366 VanDerWaalsContact OD1-CD2 3.29Å; D364-F366 WeakPolarHBondContact OD1-CD2 3.12Å; F366-Y368 HydrophobicContact CB-CD2 4.32Å; F366-Y368 HydrophobicContact CB-CE2 3.59Å; F366-T380 HydrophobicContact CD1-CG2 3.71Å; F366-T380 HydrophobicContact CE1-CG2 4.37Å; F366-L381 CarbonylContact C-O 3.58Å; F366-L381 VanDerWaalsContact CA-O 3.29Å; F366-L381 WeakPolarHBondContact CA-O 3.33Å; F366-N382 HydrophobicContact CD1-CB 4.05Å; F366-N382 HydrophobicContact CE1-CB 3.75Å; F366-N382 HydrophobicContact CZ-CB 4.32Å
367V95.4Very high92.2Very high0 Ų039.6 Ų39.60%019%0.194CC..EExtended strand (participates in β ladder)trans-121.4125.3168.4-179.40000108.3L359 A360 L381 A383 I388 L391 L401 T403L359-V367 HydrophobicContact CD2-CG1 4.17Å; A360-V367 WeakPolarHBondContact O-CA 3.48Å; V367-L381 HydrophobicContact CB-CB 4.3Å; V367-L381 PolarHBondContact N-O 2.96Å; V367-L381 PolarHBondContact O-N 3.14Å; V367-A383 HydrophobicContact CG2-CB 4.01Å; V367-I388 HydrophobicContact CG2-CD1 3.5Å; V367-I388 VanDerWaalsContact CG2-CD1 3.5Å; V367-L391 HydrophobicContact CG1-CD1 4.02Å; V367-L391 HydrophobicContact CG2-CD1 4.23Å; V367-L401 HydrophobicContact CG1-CD2 4.43Å; V367-T403 HydrophobicContact CG2-CG2 4.23Å
368Y94.1Very high92.2Very high28 Ų2840.6 Ų40.611%0.1120%0.2CC..EExtended strand (participates in β ladder)trans-107.5129.7178.5-62.3-93.4000109.6F341 S342 L359 A360 T362 F366 T380F341-Y368 HydrophobicContact CB-CE2 4.46Å; F341-Y368 AromaticContact CD1-CD1 3.83Å; F341-Y368 HydrophobicContact CD1-CD1 3.83Å; F341-Y368 AromaticContact CD1-CD2 3.54Å; F341-Y368 HydrophobicContact CD1-CD2 3.54Å; F341-Y368 HydrophobicContact CD1-CE1 4.08Å; F341-Y368 AromaticContact CD1-CE2 3.82Å; F341-Y368 HydrophobicContact CD1-CE2 3.82Å; F341-Y368 AromaticContact CD1-CG 3.55Å; F341-Y368 HydrophobicContact CD1-CG 3.55Å; F341-Y368 AromaticContact CE1-CD1 3.95Å; F341-Y368 HydrophobicContact CE1-CD1 3.95Å; F341-Y368 AromaticContact CE1-CD2 3.95Å; F341-Y368 HydrophobicContact CE1-CD2 3.95Å; F341-Y368 AromaticContact CE1-CG 3.57Å; F341-Y368 HydrophobicContact CE1-CG 3.57Å; F341-Y368 HydrophobicContact CG-CD2 4.46Å; S342-Y368 PolarHBondContact OG-OH 2.9Å; L359-Y368 CarbonylContact C-O 3.56Å; L359-Y368 VanDerWaalsContact CA-O 3.26Å; L359-Y368 WeakPolarHBondContact CA-O 3.46Å; A360-Y368 PolarHBondContact N-O 3.07Å; A360-Y368 PolarHBondContact O-N 3.36Å; T362-Y368 HydrophobicContact CG2-CD2 4.19Å; T362-Y368 HydrophobicContact CG2-CE2 3.8Å; F366-Y368 HydrophobicContact CB-CD2 4.32Å; F366-Y368 HydrophobicContact CB-CE2 3.59Å; Y368-T380 HydrophobicContact CD1-CG2 3.88Å; Y368-T380 WeakPolarHBondContact CD1-OG1 3Å; Y368-T380 HydrophobicContact CE1-CG2 3.54Å
369N93.8Very high92Very high7 Ų741.3 Ų41.34%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-107.4123.3169.8-170.3-16.8000109.4F358 L359 P377 I378 F379F358-N369 PolarHBondContact O-OD1 3.02Å; L359-N369 HydrophobicContact CD2-CB 3.48Å; L359-N369 VanDerWaalsContact CD2-CB 3.48Å; N369-P377 CarbonylContact O-C 3.59Å; N369-P377 WeakPolarHBondContact O-CA 3.2Å; N369-I378 PolarHBondContact O-N 3.48Å; N369-F379 HydrophobicContact CB-CD1 3.79Å; N369-F379 HydrophobicContact CB-CD2 4.06Å; N369-F379 HydrophobicContact CB-CE1 3.51Å; N369-F379 HydrophobicContact CB-CE2 3.76Å; N369-F379 HydrophobicContact CB-CG 4.06Å; N369-F379 HydrophobicContact CB-CZ 3.48Å; N369-F379 VanDerWaalsContact CB-CZ 3.48Å; N369-F379 PolarHBondContact N-O 2.98Å; N369-F379 WeakPolarHBondContact ND2-CE1 3.4Å; N369-F379 WeakPolarHBondContact ND2-CZ 3.3Å
370L92.7Very high91.9Very high3 Ų344.4 Ų44.42%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-127.4148.5-177.9-59.696000110.8W339 F341 H357 F358 P377W339-L370 HydrophobicContact CB-CD2 4.42Å; W339-L370 HydrophobicContact CG-CD2 3.98Å; F341-L370 HydrophobicContact CE1-CD1 3.82Å; F341-L370 HydrophobicContact CE1-CD2 4.36Å; F341-L370 HydrophobicContact CZ-CD1 3.74Å; F341-L370 HydrophobicContact CZ-CD2 4.18Å; H357-L370 CarbonylContact C-O 3.33Å; H357-L370 WeakPolarHBondContact CA-O 3.42Å; F358-L370 HydrophobicContact CD1-CB 4.39Å; F358-L370 HydrophobicContact CD2-CD1 4.5Å; F358-L370 HydrophobicContact CE1-CB 3.79Å; F358-L370 HydrophobicContact CE2-CB 4.26Å; F358-L370 HydrophobicContact CE2-CD1 3.79Å; F358-L370 HydrophobicContact CZ-CB 3.72Å; F358-L370 HydrophobicContact CZ-CD1 3.96Å; F358-L370 HydrophobicContact CZ-CD2 4.38Å; F358-L370 HydrophobicContact CZ-CG 4.23Å; F358-L370 PolarHBondContact N-O 2.84Å; F358-L370 PolarHBondContact O-N 3.05Å; L370-P377 HydrophobicContact CD2-CB 4.48Å; L370-P377 HydrophobicContact CG-CB 4.18Å
371D92.1Very high91.9Very high22 Ų2245.1 Ų45.112%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-86.5121.9161.4-175.7-26000108.1C356 H357 R373 S374 I378C356-D371 WeakPolarHBondContact CB-OD1 3.41Å; C356-D371 CarbonylContact O-C 3.57Å; C356-D371 WeakPolarHBondContact O-CA 3.29Å; H357-D371 IonicContact NE2-OD2 3.51Å; D371-R373 PolarHBondContact O-N 2.97Å; D371-R373 VanDerWaalsContact OD1-CB 3.28Å; D371-R373 WeakPolarHBondContact OD1-CB 3.49Å; D371-R373 WeakPolarHBondContact OD1-CG 3.47Å; D371-R373 IonicContact OD1-CZ 3.88Å; D371-R373 PolarHBondContact OD1-N 2.9Å; D371-R373 IonicContact OD1-NE 2.73Å; D371-R373 PolarHBondContact OD1-NE 2.88Å; D371-R373 IonicContact OD1-NH2 3.43Å; D371-R373 IonicContact OD2-CZ 2.74Å; D371-R373 IonicContact OD2-NE 3.82Å; D371-R373 PolarHBondContact OD2-NE 2.66Å; D371-R373 IonicContact OD2-NH2 2.66Å; D371-R373 PolarHBondContact OD2-NH2 3.46Å; D371-S374 CarbonylContact O-C 3.55Å; D371-S374 PolarHBondContact O-N 2.78Å; D371-I378 HydrophobicContact CB-CD1 4.26Å
372A89.1Confident91.8Very high11 Ų1149.6 Ų49.69%0.09125%0.25CS..THydrogen-bonded Turntrans-54.9-16.6177.500000113.9L326 R337 W350 C356 F358L326-A372 HydrophobicContact CD2-CB 4.18Å; R337-A372 PolarHBondContact NH1-O 2.52Å; W350-A372 HydrophobicContact CH2-CB 4.06Å; W350-A372 HydrophobicContact CZ3-CB 4.16Å; C356-A372 WeakPolarHBondContact O-CB 3.4Å; C356-A372 PolarHBondContact O-N 3.48Å; F358-A372 HydrophobicContact CD1-CB 4.2Å; F358-A372 HydrophobicContact CE1-CB 4.25Å
373R88.2Confident91.6Very high166 Ų16649.7 Ų49.763%0.62625%0.251SS*.THydrogen-bonded Turntrans-88.4-23.4176.1-58.2170-62.6-179.65112.5R337 C356 D371R337-R373 PolarHBondContact NH1-O 3.12Å; R337-R373 VanDerWaalsContact NH1-O 3.08Å; R337-R373 PolarHBondContact NH2-O 2.95Å; C356-R373 PolarHBondContact SG-NH2 3.27Å; D371-R373 PolarHBondContact O-N 2.97Å; D371-R373 VanDerWaalsContact OD1-CB 3.28Å; D371-R373 WeakPolarHBondContact OD1-CB 3.49Å; D371-R373 WeakPolarHBondContact OD1-CG 3.47Å; D371-R373 IonicContact OD1-CZ 3.88Å; D371-R373 PolarHBondContact OD1-N 2.9Å; D371-R373 IonicContact OD1-NE 2.73Å; D371-R373 PolarHBondContact OD1-NE 2.88Å; D371-R373 IonicContact OD1-NH2 3.43Å; D371-R373 IonicContact OD2-CZ 2.74Å; D371-R373 IonicContact OD2-NE 3.82Å; D371-R373 PolarHBondContact OD2-NE 2.66Å; D371-R373 IonicContact OD2-NH2 2.66Å; D371-R373 PolarHBondContact OD2-NH2 3.46Å
374S88.1Confident91.6Very high50 Ų5047.6 Ų47.635%0.3524%0.24SC..  trans-108.4155.1-175.1-178.30000111.9W339 D371 K376W339-S374 PolarHBondContact NE1-O 2.81Å; W339-S374 VanDerWaalsContact NE1-O 3.11Å; D371-S374 CarbonylContact O-C 3.55Å; D371-S374 PolarHBondContact O-N 2.78Å; S374-K376 PolarHBondContact OG-N 2.85Å
375D83.1Confident91.5Very high115 Ų11552 Ų5262%0.61526%0.263SS*.SBendtrans-93.5-14.3175.1-58.2-30.2000112.5R337R337-D375 IonicContact NH2-OD1 2.99Å; R337-D375 PolarHBondContact NH2-OD1 2.85Å
376K87.1Confident91.5Very high163 Ų16355.7 Ų55.771%0.70928%0.283SS*.SBendtrans-91.6134.2179.2-67.7-177.9-178.31790110.6S374S374-K376 PolarHBondContact OG-N 2.85Å
377P89.4Confident91.4Very high61 Ų6156 Ų5640%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-64.7141.617129.1-33.7000109.7N369 L370N369-P377 CarbonylContact O-C 3.59Å; N369-P377 WeakPolarHBondContact O-CA 3.2Å; L370-P377 HydrophobicContact CD2-CB 4.48Å; L370-P377 HydrophobicContact CG-CB 4.18Å
378I91Very high91.3Very high67 Ų6756 Ų5634%0.34429%0.285SS..EExtended strand (participates in β ladder)trans-67.6-49.3173.5-60.4171000108.4H357 N369 D371H357-I378 WeakPolarHBondContact NE2-CD1 3.46Å; N369-I378 PolarHBondContact O-N 3.48Å; D371-I378 HydrophobicContact CB-CD1 4.26Å
379F91.9Very high91.3Very high15 Ų1555.4 Ų55.47%0.06629%0.285CS..EExtended strand (participates in β ladder)trans-147.6159.3170.767.7-106.9000111.2L359 N369 L381 I415 P420L359-F379 HydrophobicContact CD2-CZ 4.3Å; N369-F379 HydrophobicContact CB-CD1 3.79Å; N369-F379 HydrophobicContact CB-CD2 4.06Å; N369-F379 HydrophobicContact CB-CE1 3.51Å; N369-F379 HydrophobicContact CB-CE2 3.76Å; N369-F379 HydrophobicContact CB-CG 4.06Å; N369-F379 HydrophobicContact CB-CZ 3.48Å; N369-F379 VanDerWaalsContact CB-CZ 3.48Å; N369-F379 PolarHBondContact N-O 2.98Å; N369-F379 WeakPolarHBondContact ND2-CE1 3.4Å; N369-F379 WeakPolarHBondContact ND2-CZ 3.3Å; F379-L381 HydrophobicContact CD2-CB 4.24Å; F379-L381 HydrophobicContact CE2-CB 4.17Å; F379-I415 HydrophobicContact CE1-CB 4.21Å; F379-I415 HydrophobicContact CZ-CB 3.97Å; F379-I415 HydrophobicContact CZ-CG2 3.91Å; F379-P420 HydrophobicContact CD2-CB 4.45Å; F379-P420 HydrophobicContact CD2-CG 3.73Å; F379-P420 HydrophobicContact CE2-CB 4.18Å; F379-P420 HydrophobicContact CE2-CG 3.93Å; F379-P420 HydrophobicContact CG-CG 4.19Å; F379-P420 HydrophobicContact CZ-CB 4.38Å
380T93.1Very high91.1Very high66 Ų6655.1 Ų55.141%0.40528%0.284SS..EExtended strand (participates in β ladder)trans-122128.3168.8-610000107.7F366 Y368F366-T380 HydrophobicContact CD1-CG2 3.71Å; F366-T380 HydrophobicContact CE1-CG2 4.37Å; Y368-T380 HydrophobicContact CD1-CG2 3.88Å; Y368-T380 WeakPolarHBondContact CD1-OG1 3Å; Y368-T380 HydrophobicContact CE1-CG2 3.54Å
381L93.5Very high91.3Very high14 Ų1455 Ų557%0.07328%0.284CS..EExtended strand (participates in β ladder)trans-115125-179172.864.4000108.9F366 V367 F379 A383 W413 P420F366-L381 CarbonylContact C-O 3.58Å; F366-L381 VanDerWaalsContact CA-O 3.29Å; F366-L381 WeakPolarHBondContact CA-O 3.33Å; V367-L381 HydrophobicContact CB-CB 4.3Å; V367-L381 PolarHBondContact N-O 2.96Å; V367-L381 PolarHBondContact O-N 3.14Å; F379-L381 HydrophobicContact CD2-CB 4.24Å; F379-L381 HydrophobicContact CE2-CB 4.17Å; L381-A383 HydrophobicContact CD2-CB 4.08Å; L381-A383 HydrophobicContact CG-CB 4.09Å; L381-A383 PolarHBondContact O-N 2.75Å; L381-W413 HydrophobicContact CD1-CE3 3.89Å; L381-W413 HydrophobicContact CD1-CH2 3.86Å; L381-W413 HydrophobicContact CD1-CZ3 3.5Å; L381-W413 VanDerWaalsContact CD1-CZ3 3.5Å; L381-W413 HydrophobicContact CD2-CD2 3.69Å; L381-W413 HydrophobicContact CD2-CE3 3.81Å; L381-W413 HydrophobicContact CD2-CG 4.11Å; L381-W413 HydrophobicContact CD2-CH2 4.35Å; L381-W413 HydrophobicContact CD2-CZ2 4.25Å; L381-W413 HydrophobicContact CD2-CZ3 4.15Å; L381-W413 HydrophobicContact CG-CE3 4.46Å; L381-W413 HydrophobicContact CG-CH2 4.42Å; L381-W413 HydrophobicContact CG-CZ3 4.33Å; L381-P420 HydrophobicContact CB-CG 4Å; L381-P420 HydrophobicContact CD1-CB 4.19Å; L381-P420 HydrophobicContact CD1-CG 3.81Å; L381-P420 HydrophobicContact CD2-CB 4.28Å; L381-P420 HydrophobicContact CD2-CG 4.46Å; L381-P420 HydrophobicContact CG-CG 4.3Å
382N93.8Very high91.4Very high95 Ų9555.1 Ų55.151%0.50828%0.284SS..EExtended strand (participates in β ladder)trans-84.397.8164.7-176.9-5.4000107.7F366 H384F366-N382 HydrophobicContact CD1-CB 4.05Å; F366-N382 HydrophobicContact CE1-CB 3.75Å; F366-N382 HydrophobicContact CZ-CB 4.32Å; N382-H384 PolarHBondContact OD1-O 3.11Å; N382-H384 VanDerWaalsContact OD1-O 3.13Å
383A91.5Very high91.6Very high2 Ų255 Ų552%0.01728%0.282CS..  trans-91.7-41.6-171.900000111.9G365 V367 L381 I388 K411 W413G365-A383 PolarHBondContact O-N 2.64Å; V367-A383 HydrophobicContact CG2-CB 4.01Å; L381-A383 HydrophobicContact CD2-CB 4.08Å; L381-A383 HydrophobicContact CG-CB 4.09Å; L381-A383 PolarHBondContact O-N 2.75Å; A383-I388 HydrophobicContact CB-CD1 3.9Å; A383-K411 VanDerWaalsContact O-CD 3.3Å; A383-K411 WeakPolarHBondContact O-CD 3.27Å; A383-K411 PolarHBondContact O-NZ 3.18Å; A383-W413 HydrophobicContact CB-CH2 4.5Å; A383-W413 HydrophobicContact CB-CZ2 3.71Å
384H93.9Very high91.8Very high1 Ų147.1 Ų47.11%0.00525%0.252CS..  trans-137.8168.6-173.6-70.3-91.7000111.7G365 N382 I388 T403 S405 D407 Y409G365-H384 WeakPolarHBondContact CA-O 3.34Å; G365-H384 PolarHBondContact O-N 3.26Å; N382-H384 PolarHBondContact OD1-O 3.11Å; N382-H384 VanDerWaalsContact OD1-O 3.13Å; H384-I388 HydrophobicContact CB-CG1 4.11Å; H384-T403 PolarHBondContact NE2-OG1 3.37Å; H384-S405 VanDerWaalsContact ND1-CB 3.27Å; H384-S405 WeakPolarHBondContact ND1-CB 3.34Å; H384-D407 IonicContact CE1-OD1 3.95Å; H384-D407 IonicContact CE1-OD2 3.79Å; H384-D407 IonicContact CG-OD2 2.9Å; H384-D407 VanDerWaalsContact ND1-CG 3.25Å; H384-D407 IonicContact ND1-OD1 3.78Å; H384-D407 PolarHBondContact ND1-OD1 3.25Å; H384-D407 VanDerWaalsContact ND1-OD1 3.12Å; H384-D407 IonicContact ND1-OD2 3.9Å; H384-D407 PolarHBondContact ND1-OD2 3.43Å; H384-Y409 PolarHBondContact CE1-O 2.83Å
385N91.2Very high91.8Very high147 Ų14745.4 Ų45.479%0.78624%0.24SC*.SBendtrans-93.5-4.3176.3-63.6-45.9000112.9
386D92.8Very high92.1Very high77 Ų7741.3 Ų41.341%0.41222%0.217SC..SBendtrans-143178.2-173.7-150.2-15.4000108.6D363 G365 S405 A406 D407D363-D386 CarbonylContact O-C 3.39Å; G365-D386 VanDerWaalsContact CA-O 3.27Å; G365-D386 WeakPolarHBondContact CA-O 3.47Å; D386-S405 PolarHBondContact O-OG 2.88Å; D386-A406 HydrophobicContact CB-CB 4.44Å; D386-D407 HydrophobicContact CB-CB 4.01Å
387E92.9Very high92.2Very high65 Ų6533.6 Ų33.630%0.30418%0.184SC..  trans-56.5141.9-175.664.7-173-16200113.1E346 D363 S405 A406E346-E387 HydrophobicContact CG-CB 4.24Å; D363-E387 HydrophobicContact CB-CB 4.34Å; D363-E387 VanDerWaalsContact O-CA 3.25Å; D363-E387 WeakPolarHBondContact O-CA 3.19Å; D363-E387 PolarHBondContact O-N 3.3Å; D363-E387 VanDerWaalsContact O-N 3.09Å; E387-S405 WeakPolarHBondContact O-CA 3.11Å; E387-S405 VanDerWaalsContact O-CB 3.23Å; E387-S405 WeakPolarHBondContact O-CB 3.35Å; E387-S405 PolarHBondContact O-OG 3.06Å; E387-A406 HydrophobicContact CG-CB 3.5Å; E387-A406 VanDerWaalsContact CG-CB 3.5Å; E387-A406 PolarHBondContact O-N 3.03Å
388I94.9Very high92.2Very high0 Ų035.6 Ų35.60%019%0.186CC..  trans-104.394.8179.9-59171.5000108.5E346 S361 T362 G365 V367 A383 H384 G390 A404E346-I388 VanDerWaalsContact CB-O 3.29Å; E346-I388 WeakPolarHBondContact CB-O 3.34Å; S361-I388 PolarHBondContact OG-O 3.08Å; S361-I388 VanDerWaalsContact OG-O 3.08Å; T362-I388 PolarHBondContact O-N 3.4Å; G365-I388 WeakPolarHBondContact O-CD1 3.5Å; V367-I388 HydrophobicContact CG2-CD1 3.5Å; V367-I388 VanDerWaalsContact CG2-CD1 3.5Å; A383-I388 HydrophobicContact CB-CD1 3.9Å; H384-I388 HydrophobicContact CB-CG1 4.11Å; I388-G390 WeakPolarHBondContact CG2-O 3.39Å; I388-A404 CarbonylContact C-O 3.59Å; I388-A404 WeakPolarHBondContact CA-O 3.29Å; I388-A404 WeakPolarHBondContact CG2-O 3.39Å
389S92.4Very high92.1Very high17 Ų1732.5 Ų32.512%0.11917%0.171CC..  trans-76-26.2-178.856.20000113.6A404 L433 F434S389-A404 PolarHBondContact N-O 3.22Å; S389-A404 VanDerWaalsContact N-O 3.11Å; S389-A404 PolarHBondContact OG-O 3.25Å; S389-L433 WeakPolarHBondContact CB-O 3.45Å; S389-L433 PolarHBondContact OG-O 3.15Å; S389-F434 WeakPolarHBondContact CB-O 3.35Å
390G91.3Very high92.1Very high1 Ų131.8 Ų31.81%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-122.3126.8-179.200000112.9I388 T403 A404 S436I388-G390 WeakPolarHBondContact CG2-O 3.39Å; G390-T403 WeakPolarHBondContact O-CA 3.39Å; G390-A404 PolarHBondContact N-O 2.98Å; G390-A404 PolarHBondContact O-N 3.36Å; G390-S436 WeakPolarHBondContact CA-OG 3.42Å
391L95.6Very high92.2Very high1 Ų128.7 Ų28.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-139.591.1-177.9-175.772.5000110.9R347 T349 L359 V367 L401 T403R347-L391 HydrophobicContact CB-CB 3.88Å; R347-L391 HydrophobicContact CB-CD2 4.49Å; R347-L391 HydrophobicContact CG-CB 3.98Å; T349-L391 PolarHBondContact OG1-O 3.19Å; L359-L391 HydrophobicContact CB-CD2 3.83Å; V367-L391 HydrophobicContact CG1-CD1 4.02Å; V367-L391 HydrophobicContact CG2-CD1 4.23Å; L391-L401 HydrophobicContact CD1-CD1 3.84Å; L391-L401 HydrophobicContact CD1-CD2 4.45Å; L391-L401 HydrophobicContact CG-CD1 4.48Å; L391-T403 HydrophobicContact CD1-CG2 4.04Å
392D94.8Very high92.3Very high24 Ų2428 Ų2813%0.12815%0.145CC..EExtended strand (participates in β ladder)trans-121.3134.7-173.9-65.6-58.8000113L401 V402 S436 S437 C438 Y446D392-L401 WeakPolarHBondContact O-CD1 3.33Å; D392-V402 PolarHBondContact N-O 3.31Å; D392-V402 PolarHBondContact O-N 3.4Å; D392-S436 WeakPolarHBondContact OD2-CB 3.4Å; D392-S436 VanDerWaalsContact OD2-O 3.07Å; D392-S436 PolarHBondContact OD2-OG 2.85Å; D392-S437 WeakPolarHBondContact OD2-CA 3.09Å; D392-S437 PolarHBondContact OD2-N 2.88Å; D392-S437 VanDerWaalsContact OD2-N 3.15Å; D392-C438 HydrophobicContact CB-CB 4.22Å; D392-Y446 HydrophobicContact CB-CD1 4.39Å; D392-Y446 HydrophobicContact CB-CE1 4.04Å
393L93.3Very high92.5Very high9 Ų923.5 Ų23.55%0.04712%0.121CC..EExtended strand (participates in β ladder)trans-93.8143.2167.5-71.5169.2000109.9T349 N351 L359 S395 L401 I415T349-L393 HydrophobicContact CG2-CD1 4.18Å; T349-L393 HydrophobicContact CG2-CG 4.41Å; N351-L393 HydrophobicContact CB-CD1 3.97Å; L359-L393 HydrophobicContact CD1-CD1 3.99Å; L359-L393 HydrophobicContact CD1-CD2 3.89Å; L359-L393 HydrophobicContact CD1-CG 4Å; L393-S395 PolarHBondContact O-N 2.97Å; L393-L401 HydrophobicContact CD2-CB 4.1Å; L393-L401 HydrophobicContact CD2-CD1 3.82Å; L393-L401 HydrophobicContact CG-CD1 4.24Å; L393-I415 HydrophobicContact CD2-CD1 3.74Å
394S92.2Very high92.6Very high0 Ų023.4 Ų23.40%012%0.12CC..  trans-59.2132.5171.9179.80000110.8H352 F353 Q396 I397 C400 P443 Y446H352-S394 PolarHBondContact CE1-O 3.3Å; H352-S394 PolarHBondContact NE2-O 3.14Å; H352-S394 VanDerWaalsContact NE2-O 3.09Å; F353-S394 VanDerWaalsContact CE2-O 3.29Å; F353-S394 WeakPolarHBondContact CE2-O 3.46Å; F353-S394 WeakPolarHBondContact CZ-O 3.26Å; S394-Q396 PolarHBondContact O-N 2.52Å; S394-I397 PolarHBondContact OG-N 3.25Å; S394-C400 PolarHBondContact N-O 3.11Å; S394-P443 WeakPolarHBondContact OG-CB 3.47Å; S394-P443 PolarHBondContact OG-O 2.85Å; S394-Y446 VanDerWaalsContact CA-OH 3.22Å; S394-Y446 WeakPolarHBondContact CA-OH 3.27Å; S394-Y446 WeakPolarHBondContact CB-OH 3.36Å; S394-Y446 PolarHBondContact N-OH 2.93Å
395S87.3Confident92.7Very high14 Ų1423.3 Ų23.310%0.09812%0.12CC..SBendtrans-60.6-24.8-17951.80000114.6H352 L393 C438 C439 P440H352-S395 PolarHBondContact NE2-O 3.28Å; L393-S395 PolarHBondContact O-N 2.97Å; S395-C438 PolarHBondContact N-SG 3.42Å; S395-C438 VanDerWaalsContact N-SG 3.36Å; S395-C439 WeakPolarHBondContact CB-O 3.43Å; S395-C439 PolarHBondContact OG-O 3.39Å; S395-P440 WeakPolarHBondContact CB-O 3.09Å; S395-P440 PolarHBondContact OG-O 3.23Å
396Q89.8Confident92.7Very high28 Ų2816.8 Ų16.813%0.1319%0.086CC..SBendtrans-129.1-22.3-176.1-48.51743.900114.1S394 D441 P443 R475 L476S394-Q396 PolarHBondContact O-N 2.52Å; Q396-D441 PolarHBondContact NE2-O 3.17Å; Q396-P443 HydrophobicContact CB-CB 3.89Å; Q396-P443 HydrophobicContact CB-CG 4.39Å; Q396-P443 HydrophobicContact CG-CB 4.18Å; Q396-R475 HydrophobicContact CB-CB 4.32Å; Q396-L476 WeakPolarHBondContact CB-O 3.42Å; Q396-L476 WeakPolarHBondContact CG-O 3.27Å; Q396-L476 PolarHBondContact O-N 3.21Å
397I89.8Confident92.7Very high1 Ų114.4 Ų14.41%0.0057%0.074CC..BIsolated β-bridgetrans-101.9117.7-174.2-60.3171.3000110.8F353 S394 G399 C400 P443 F444 F470 R473F353-I397 WeakPolarHBondContact CE2-O 3.29Å; F353-I397 VanDerWaalsContact CZ-C 3.43Å; S394-I397 PolarHBondContact OG-N 3.25Å; I397-G399 PolarHBondContact O-N 3.16Å; I397-C400 HydrophobicContact CB-CB 4.33Å; I397-C400 HydrophobicContact CG2-CB 4.14Å; I397-C400 PolarHBondContact O-N 2.99Å; I397-P443 HydrophobicContact CD1-CB 3.87Å; I397-P443 HydrophobicContact CD1-CG 4.19Å; I397-P443 HydrophobicContact CG1-CB 3.92Å; I397-P443 HydrophobicContact CG1-CG 4.45Å; I397-F444 HydrophobicContact CD1-CD1 3.95Å; I397-F444 HydrophobicContact CD1-CD2 4.44Å; I397-F444 HydrophobicContact CD1-CE1 3.22Å; I397-F444 HydrophobicContact CD1-CE2 3.78Å; I397-F444 HydrophobicContact CD1-CZ 3.12Å; I397-F470 HydrophobicContact CD1-CB 4.41Å; I397-F470 HydrophobicContact CG2-CB 4.17Å; I397-F470 HydrophobicContact CG2-CD1 3.87Å; I397-F470 HydrophobicContact CG2-CG 4.4Å; I397-R473 HydrophobicContact CG2-CB 4.22Å
398K89Confident92.7Very high103 Ų10316.1 Ų16.145%0.4488%0.08SC..THydrogen-bonded Turntrans-58.9125.6177.2-76.5-179178178.50112F353 C400 L416 R473F353-K398 HydrophobicContact CB-CG 4.01Å; F353-K398 HydrophobicContact CD1-CB 4.47Å; F353-K398 HydrophobicContact CD1-CD 4.09Å; F353-K398 HydrophobicContact CD1-CG 3.28Å; F353-K398 HydrophobicContact CD2-CG 4.05Å; F353-K398 HydrophobicContact CE1-CG 3.61Å; F353-K398 HydrophobicContact CE2-CG 4.32Å; F353-K398 HydrophobicContact CG-CB 4.43Å; F353-K398 HydrophobicContact CG-CD 4.41Å; F353-K398 HydrophobicContact CG-CG 3.51Å; F353-K398 HydrophobicContact CZ-CG 4.13Å; K398-C400 VanDerWaalsContact C-N 3.28Å; K398-C400 PolarHBondContact O-N 2.86Å; K398-L416 HydrophobicContact CB-CD1 4.28Å; K398-L416 HydrophobicContact CB-CD2 4.27Å; K398-L416 WeakPolarHBondContact O-CD1 3.39Å; K398-R473 PolarHBondContact O-NH1 3.31Å
399G88.6Confident92.7Very high3 Ų320.7 Ų20.73%0.03110%0.098CC..THydrogen-bonded Turntrans68.915.9172.800000116.1I397 D414 I415I397-G399 PolarHBondContact O-N 3.16Å; G399-D414 WeakPolarHBondContact O-CA 3.46Å; G399-I415 VanDerWaalsContact CA-CG1 3.45Å; G399-I415 WeakPolarHBondContact O-CG1 3.49Å; G399-I415 PolarHBondContact O-N 2.95Å
400C93.2Very high92.8Very high0 Ų019.9 Ų19.90%09%0.092CC..EExtended strand (participates in β ladder)trans-81.9111.9162.5-175.90000108.4S394 I397 K398 F470S394-C400 PolarHBondContact N-O 3.11Å; I397-C400 HydrophobicContact CB-CB 4.33Å; I397-C400 HydrophobicContact CG2-CB 4.14Å; I397-C400 PolarHBondContact O-N 2.99Å; K398-C400 VanDerWaalsContact C-N 3.28Å; K398-C400 PolarHBondContact O-N 2.86Å; C400-F470 HydrophobicContact CB-CD1 3.84Å; C400-F470 HydrophobicContact CB-CE1 3.63Å; C400-F470 HydrophobicContact CB-CG 4.37Å; C400-F470 HydrophobicContact CB-CZ 3.99Å
401L94.9Very high93.1Very high0 Ų021.3 Ų21.30%010%0.098CC..EExtended strand (participates in β ladder)trans-113.4130.7176.9174.369.9000109.1L359 V367 L391 D392 L393 T403 I412 W413 I415L359-L401 HydrophobicContact CD1-CD1 3.74Å; L359-L401 HydrophobicContact CD1-CD2 4.36Å; V367-L401 HydrophobicContact CG1-CD2 4.43Å; L391-L401 HydrophobicContact CD1-CD1 3.84Å; L391-L401 HydrophobicContact CD1-CD2 4.45Å; L391-L401 HydrophobicContact CG-CD1 4.48Å; D392-L401 WeakPolarHBondContact O-CD1 3.33Å; L393-L401 HydrophobicContact CD2-CB 4.1Å; L393-L401 HydrophobicContact CD2-CD1 3.82Å; L393-L401 HydrophobicContact CG-CD1 4.24Å; L401-T403 HydrophobicContact CD2-CG2 4.19Å; L401-T403 HydrophobicContact CG-CG2 4.17Å; L401-I412 WeakPolarHBondContact O-CA 3.37Å; L401-W413 HydrophobicContact CB-CB 4.23Å; L401-W413 PolarHBondContact N-O 3.49Å; L401-W413 PolarHBondContact O-N 3.13Å; L401-I415 HydrophobicContact CB-CD1 4.31Å; L401-I415 HydrophobicContact CB-CG1 4.41Å; L401-I415 HydrophobicContact CB-CG2 3.87Å; L401-I415 HydrophobicContact CD2-CG2 3.79Å; L401-I415 HydrophobicContact CG-CG2 4.49Å
402V96Very high93.1Very high0 Ų021.2 Ų21.20%010%0.098CC..EExtended strand (participates in β ladder)trans-112.4126.2174.7-179.20000108.6D392 V410 K411 I412 Y446 F448 I460D392-V402 PolarHBondContact N-O 3.31Å; D392-V402 PolarHBondContact O-N 3.4Å; V402-V410 HydrophobicContact CG1-CG1 3.62Å; V402-K411 WeakPolarHBondContact CA-O 3.41Å; V402-I412 HydrophobicContact CG2-CG1 4.36Å; V402-Y446 HydrophobicContact CB-CD1 4.14Å; V402-Y446 HydrophobicContact CB-CE1 3.8Å; V402-Y446 HydrophobicContact CG1-CD1 4.28Å; V402-Y446 HydrophobicContact CG1-CE1 4.43Å; V402-Y446 HydrophobicContact CG2-CD1 4.06Å; V402-Y446 HydrophobicContact CG2-CD2 4.39Å; V402-Y446 HydrophobicContact CG2-CE1 3.5Å; V402-Y446 HydrophobicContact CG2-CE2 3.91Å; V402-Y446 HydrophobicContact CG2-CG 4.47Å; V402-Y446 VanDerWaalsContact CG2-CZ 3.43Å; V402-F448 HydrophobicContact CG1-CE1 4.04Å; V402-F448 HydrophobicContact CG1-CZ 3.91Å; V402-I460 HydrophobicContact CG2-CD1 4.44Å
403T96.4Very high93.1Very high0 Ų020.9 Ų20.90%010%0.095CC..EExtended strand (participates in β ladder)trans-115.7131.917660.10000109.7V367 H384 G390 L391 L401 V410 K411 W413V367-T403 HydrophobicContact CG2-CG2 4.23Å; H384-T403 PolarHBondContact NE2-OG1 3.37Å; G390-T403 WeakPolarHBondContact O-CA 3.39Å; L391-T403 HydrophobicContact CD1-CG2 4.04Å; L401-T403 HydrophobicContact CD2-CG2 4.19Å; L401-T403 HydrophobicContact CG-CG2 4.17Å; T403-V410 CarbonylContact O-C 3.56Å; T403-V410 WeakPolarHBondContact O-CA 3.39Å; T403-K411 PolarHBondContact N-O 2.99Å; T403-K411 PolarHBondContact O-N 3.03Å; T403-W413 PolarHBondContact OG1-NE1 3.08Å
404A95.4Very high93.2Very high0 Ų021.6 Ų21.60%010%0.099CC..EExtended strand (participates in β ladder)trans-116.7139.6171.500000109.2I388 S389 G390 V410 L433 F448I388-A404 CarbonylContact C-O 3.59Å; I388-A404 WeakPolarHBondContact CA-O 3.29Å; I388-A404 WeakPolarHBondContact CG2-O 3.39Å; S389-A404 PolarHBondContact N-O 3.22Å; S389-A404 VanDerWaalsContact N-O 3.11Å; S389-A404 PolarHBondContact OG-O 3.25Å; G390-A404 PolarHBondContact N-O 2.98Å; G390-A404 PolarHBondContact O-N 3.36Å; A404-V410 HydrophobicContact CB-CG2 4.24Å; A404-L433 HydrophobicContact CB-CB 4.3Å; A404-L433 HydrophobicContact CB-CD1 3.94Å; A404-F448 HydrophobicContact CB-CD1 4.18Å; A404-F448 HydrophobicContact CB-CE1 4.26Å
405S94.9Very high93.1Very high0 Ų022.1 Ų22.10%010%0.101CC..  trans-136.1158.2-173.3172.70000112.2H384 D386 E387 D407 K408 Y409H384-S405 VanDerWaalsContact ND1-CB 3.27Å; H384-S405 WeakPolarHBondContact ND1-CB 3.34Å; D386-S405 PolarHBondContact O-OG 2.88Å; E387-S405 WeakPolarHBondContact O-CA 3.11Å; E387-S405 VanDerWaalsContact O-CB 3.23Å; E387-S405 WeakPolarHBondContact O-CB 3.35Å; E387-S405 PolarHBondContact O-OG 3.06Å; S405-D407 WeakPolarHBondContact CB-OD1 3.27Å; S405-D407 PolarHBondContact O-N 2.78Å; S405-D407 VanDerWaalsContact O-N 3.17Å; S405-D407 PolarHBondContact OG-N 2.93Å; S405-D407 VanDerWaalsContact OG-N 3.17Å; S405-K408 PolarHBondContact O-N 3.28Å; S405-Y409 PolarHBondContact N-O 2.81Å
406A92.3Very high93Very high9 Ų925.8 Ų25.87%0.07412%0.12CC..THydrogen-bonded Turntrans-59.7-17.5168.900000113.4D386 E387 K408 V432D386-A406 HydrophobicContact CB-CB 4.44Å; E387-A406 HydrophobicContact CG-CB 3.5Å; E387-A406 VanDerWaalsContact CG-CB 3.5Å; E387-A406 PolarHBondContact O-N 3.03Å; A406-K408 PolarHBondContact O-N 2.93Å; A406-V432 HydrophobicContact CB-CG1 3.83Å
407D92.5Very high92.3Very high27 Ų2727.2 Ų27.214%0.14414%0.142CC..THydrogen-bonded Turntrans-67.5-1.3174.180.1-0.2000114.5H384 D386 S405 Y409H384-D407 IonicContact CE1-OD1 3.95Å; H384-D407 IonicContact CE1-OD2 3.79Å; H384-D407 IonicContact CG-OD2 2.9Å; H384-D407 VanDerWaalsContact ND1-CG 3.25Å; H384-D407 IonicContact ND1-OD1 3.78Å; H384-D407 PolarHBondContact ND1-OD1 3.25Å; H384-D407 VanDerWaalsContact ND1-OD1 3.12Å; H384-D407 IonicContact ND1-OD2 3.9Å; H384-D407 PolarHBondContact ND1-OD2 3.43Å; D386-D407 HydrophobicContact CB-CB 4.01Å; S405-D407 WeakPolarHBondContact CB-OD1 3.27Å; S405-D407 PolarHBondContact O-N 2.78Å; S405-D407 VanDerWaalsContact O-N 3.17Å; S405-D407 PolarHBondContact OG-N 2.93Å; S405-D407 VanDerWaalsContact OG-N 3.17Å; D407-Y409 VanDerWaalsContact C-N 3.27Å; D407-Y409 VanDerWaalsContact O-CD2 3.25Å; D407-Y409 WeakPolarHBondContact O-CD2 3.33Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.39Å; D407-Y409 PolarHBondContact OD1-N 2.89Å
408K92.4Very high91.4Very high102 Ų10233.4 Ų33.444%0.44318%0.175SC..SBendtrans80.9-4.2179.2-47.9154.8-175166.60114.4S405 A406 M428 G431S405-K408 PolarHBondContact O-N 3.28Å; A406-K408 PolarHBondContact O-N 2.93Å; K408-M428 PolarHBondContact O-N 3.04Å; K408-G431 VanDerWaalsContact CG-O 3.31Å; K408-G431 WeakPolarHBondContact CG-O 3.42Å
409Y94.5Very high91.1Very high95 Ų9538.4 Ų38.437%0.37319%0.191SC..EExtended strand (participates in β ladder)trans-95143.3-179.3-68.1-95.2000111.3H384 S405 D407 R426 D427H384-Y409 PolarHBondContact CE1-O 2.83Å; S405-Y409 PolarHBondContact N-O 2.81Å; D407-Y409 VanDerWaalsContact C-N 3.27Å; D407-Y409 VanDerWaalsContact O-CD2 3.25Å; D407-Y409 WeakPolarHBondContact O-CD2 3.33Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.39Å; D407-Y409 PolarHBondContact OD1-N 2.89Å; Y409-R426 WeakPolarHBondContact CA-O 3.31Å; Y409-D427 HydrophobicContact CD1-CB 4.11Å; Y409-D427 HydrophobicContact CE1-CB 3.77Å
410V95.9Very high91.2Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-104.6130.7159.5179.60000107.7V402 T403 A404 R426 M428 L433 F448 W458V402-V410 HydrophobicContact CG1-CG1 3.62Å; T403-V410 CarbonylContact O-C 3.56Å; T403-V410 WeakPolarHBondContact O-CA 3.39Å; A404-V410 HydrophobicContact CB-CG2 4.24Å; V410-R426 PolarHBondContact N-O 2.85Å; V410-R426 PolarHBondContact O-N 3.27Å; V410-M428 HydrophobicContact CB-CG 4.37Å; V410-M428 HydrophobicContact CG2-CG 3.62Å; V410-M428 HydrophobicContact CG2-SD 4.49Å; V410-L433 HydrophobicContact CG2-CD1 3.45Å; V410-L433 VanDerWaalsContact CG2-CD1 3.45Å; V410-F448 HydrophobicContact CB-CE1 4.44Å; V410-F448 HydrophobicContact CG1-CE1 3.75Å; V410-F448 HydrophobicContact CG1-CZ 3.72Å; V410-F448 HydrophobicContact CG2-CD1 3.92Å; V410-F448 HydrophobicContact CG2-CE1 3.75Å; V410-F448 HydrophobicContact CG2-CG 4.49Å; V410-F448 HydrophobicContact CG2-CZ 4.18Å; V410-W458 HydrophobicContact CB-CZ3 4.11Å; V410-W458 HydrophobicContact CG1-CE3 4.47Å; V410-W458 HydrophobicContact CG1-CZ3 3.84Å
411K95.9Very high91.1Very high31 Ų3142.3 Ų42.314%0.13522%0.217CC..EExtended strand (participates in β ladder)trans-120.3141.8177.7-68.3178.4-170.1168.50110.7A383 V402 T403 W413 L422 H424A383-K411 VanDerWaalsContact O-CD 3.3Å; A383-K411 WeakPolarHBondContact O-CD 3.27Å; A383-K411 PolarHBondContact O-NZ 3.18Å; V402-K411 WeakPolarHBondContact CA-O 3.41Å; T403-K411 PolarHBondContact N-O 2.99Å; T403-K411 PolarHBondContact O-N 3.03Å; K411-W413 HydrophobicContact CB-CZ2 3.99Å; K411-W413 HydrophobicContact CD-CH2 4.47Å; K411-W413 HydrophobicContact CD-CZ2 3.66Å; K411-W413 HydrophobicContact CG-CZ2 4.45Å; K411-L422 HydrophobicContact CB-CD1 3.88Å; K411-L422 HydrophobicContact CD-CD1 4.16Å; K411-L422 HydrophobicContact CG-CD1 4.11Å; K411-H424 WeakPolarHBondContact CA-O 3.47Å
412I96.4Very high91.1Very high0 Ų046.6 Ų46.60%024%0.239CC..EExtended strand (participates in β ladder)trans-114.3126.9179.6-54.7172.2000107.5L401 V402 V423 H424 W458 I460 V466 F470L401-I412 WeakPolarHBondContact O-CA 3.37Å; V402-I412 HydrophobicContact CG2-CG1 4.36Å; I412-V423 PolarHBondContact O-N 3.14Å; I412-H424 HydrophobicContact CB-CB 4.36Å; I412-H424 HydrophobicContact CD1-CB 4.26Å; I412-H424 PolarHBondContact N-O 2.99Å; I412-H424 PolarHBondContact O-N 3.11Å; I412-W458 HydrophobicContact CD1-CH2 3.93Å; I412-W458 HydrophobicContact CD1-CZ3 4.41Å; I412-I460 HydrophobicContact CD1-CB 3.72Å; I412-I460 HydrophobicContact CD1-CD1 4.07Å; I412-I460 HydrophobicContact CD1-CG1 4.47Å; I412-I460 HydrophobicContact CD1-CG2 3.7Å; I412-V466 HydrophobicContact CD1-CG2 3.6Å; I412-V466 HydrophobicContact CG2-CG2 4.41Å; I412-F470 HydrophobicContact CG2-CE2 3.91Å; I412-F470 HydrophobicContact CG2-CZ 4.48Å
413W95.4Very high91Very high17 Ų1748 Ų486%0.06425%0.248CC..EExtended strand (participates in β ladder)trans-122.3143.2-173.4-54.490000110.7L381 A383 L401 T403 K411 I415 S421 L422L381-W413 HydrophobicContact CD1-CE3 3.89Å; L381-W413 HydrophobicContact CD1-CH2 3.86Å; L381-W413 HydrophobicContact CD1-CZ3 3.5Å; L381-W413 VanDerWaalsContact CD1-CZ3 3.5Å; L381-W413 HydrophobicContact CD2-CD2 3.69Å; L381-W413 HydrophobicContact CD2-CE3 3.81Å; L381-W413 HydrophobicContact CD2-CG 4.11Å; L381-W413 HydrophobicContact CD2-CH2 4.35Å; L381-W413 HydrophobicContact CD2-CZ2 4.25Å; L381-W413 HydrophobicContact CD2-CZ3 4.15Å; L381-W413 HydrophobicContact CG-CE3 4.46Å; L381-W413 HydrophobicContact CG-CH2 4.42Å; L381-W413 HydrophobicContact CG-CZ3 4.33Å; A383-W413 HydrophobicContact CB-CH2 4.5Å; A383-W413 HydrophobicContact CB-CZ2 3.71Å; L401-W413 HydrophobicContact CB-CB 4.23Å; L401-W413 PolarHBondContact N-O 3.49Å; L401-W413 PolarHBondContact O-N 3.13Å; T403-W413 PolarHBondContact OG1-NE1 3.08Å; K411-W413 HydrophobicContact CB-CZ2 3.99Å; K411-W413 HydrophobicContact CD-CH2 4.47Å; K411-W413 HydrophobicContact CD-CZ2 3.66Å; K411-W413 HydrophobicContact CG-CZ2 4.45Å; W413-I415 HydrophobicContact CB-CG2 4.22Å; W413-S421 CarbonylContact C-O 3.58Å; W413-S421 VanDerWaalsContact CA-O 3.31Å; W413-S421 WeakPolarHBondContact CA-O 3.2Å; W413-L422 HydrophobicContact CD2-CD1 3.98Å; W413-L422 HydrophobicContact CE3-CB 3.82Å; W413-L422 HydrophobicContact CE3-CD1 3.99Å; W413-L422 HydrophobicContact CH2-CB 4.07Å; W413-L422 HydrophobicContact CH2-CD1 3.8Å; W413-L422 HydrophobicContact CH2-CG 4.36Å; W413-L422 HydrophobicContact CZ2-CD1 3.78Å; W413-L422 HydrophobicContact CZ3-CB 3.5Å; W413-L422 VanDerWaalsContact CZ3-CB 3.5Å; W413-L422 HydrophobicContact CZ3-CD1 3.91Å; W413-L422 HydrophobicContact CZ3-CG 4.23Å
414D93.7Very high90.9Very high24 Ų2450.3 Ų50.313%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-97.3112.8162-177.918.6000108.9G399 L416 P420 S421 V423 F470 R473G399-D414 WeakPolarHBondContact O-CA 3.46Å; D414-L416 WeakPolarHBondContact OD1-CB 3.46Å; D414-L416 PolarHBondContact OD1-N 2.85Å; D414-L416 VanDerWaalsContact OD1-N 3.07Å; D414-P420 CarbonylContact O-C 3.59Å; D414-P420 WeakPolarHBondContact O-CA 3.44Å; D414-S421 PolarHBondContact N-O 3.03Å; D414-S421 PolarHBondContact O-N 2.9Å; D414-V423 HydrophobicContact CB-CG2 3.95Å; D414-F470 HydrophobicContact CB-CE1 4.14Å; D414-F470 HydrophobicContact CB-CZ 3.89Å; D414-R473 IonicContact OD1-CZ 3.35Å; D414-R473 IonicContact OD1-NH1 3.62Å; D414-R473 PolarHBondContact OD1-NH1 3.18Å; D414-R473 IonicContact OD1-NH2 3.52Å; D414-R473 PolarHBondContact OD1-NH2 3.03Å; D414-R473 IonicContact OD2-CZ 3.42Å; D414-R473 IonicContact OD2-NH1 2.98Å; D414-R473 IonicContact OD2-NH2 2.74Å; D414-R473 PolarHBondContact OD2-NH2 3.35Å
415I91.2Very high90.9Very high11 Ų1152.6 Ų52.66%0.05627%0.274CS..  trans-101.59.2-179.765164.7000112.4L359 F379 L393 G399 L401 W413 G417 P420L359-I415 HydrophobicContact CD1-CD1 4.31Å; F379-I415 HydrophobicContact CE1-CB 4.21Å; F379-I415 HydrophobicContact CZ-CB 3.97Å; F379-I415 HydrophobicContact CZ-CG2 3.91Å; L393-I415 HydrophobicContact CD2-CD1 3.74Å; G399-I415 VanDerWaalsContact CA-CG1 3.45Å; G399-I415 WeakPolarHBondContact O-CG1 3.49Å; G399-I415 PolarHBondContact O-N 2.95Å; L401-I415 HydrophobicContact CB-CD1 4.31Å; L401-I415 HydrophobicContact CB-CG1 4.41Å; L401-I415 HydrophobicContact CB-CG2 3.87Å; L401-I415 HydrophobicContact CD2-CG2 3.79Å; L401-I415 HydrophobicContact CG-CG2 4.49Å; W413-I415 HydrophobicContact CB-CG2 4.22Å; I415-G417 PolarHBondContact O-N 2.9Å; I415-P420 HydrophobicContact CG2-CB 4.18Å
416L85.4Confident90.9Very high91 Ų9157.2 Ų57.248%0.47629%0.292SS..  trans-75.8115.4172.1-67.5-170.3000110.6K398 D414K398-L416 HydrophobicContact CB-CD1 4.28Å; K398-L416 HydrophobicContact CB-CD2 4.27Å; K398-L416 WeakPolarHBondContact O-CD1 3.39Å; D414-L416 WeakPolarHBondContact OD1-CB 3.46Å; D414-L416 PolarHBondContact OD1-N 2.85Å; D414-L416 VanDerWaalsContact OD1-N 3.07Å
417G75.6Confident90.9Very high58 Ų5859.7 Ų59.760%0.59830%0.304SS*.SBendtrans119.7-167.917600000112.3I415 R419I415-G417 PolarHBondContact O-N 2.9Å; G417-R419 VanDerWaalsContact C-N 3.32Å
418D70.6Confident90.8Very high130 Ų13058.6 Ų58.670%0.69530%0.298SS*.SBendtrans-80.2-16.6-177.8-164.648.6000112.5
419R81.1Confident90.7Very high209 Ų20961.5 Ų61.579%0.78931%0.31SS*.SBendtrans-134118.5-177.7-64.8-173-178.9-154.5-1.4111.1G417G417-R419 VanDerWaalsContact C-N 3.32Å
420P90.9Very high90.3Very high29 Ų2957 Ų5719%0.18829%0.293CS..  trans-65.4141.5173.528.1-34.5000110.4F379 L381 D414 I415F379-P420 HydrophobicContact CD2-CB 4.45Å; F379-P420 HydrophobicContact CD2-CG 3.73Å; F379-P420 HydrophobicContact CE2-CB 4.18Å; F379-P420 HydrophobicContact CE2-CG 3.93Å; F379-P420 HydrophobicContact CG-CG 4.19Å; F379-P420 HydrophobicContact CZ-CB 4.38Å; L381-P420 HydrophobicContact CB-CG 4Å; L381-P420 HydrophobicContact CD1-CB 4.19Å; L381-P420 HydrophobicContact CD1-CG 3.81Å; L381-P420 HydrophobicContact CD2-CB 4.28Å; L381-P420 HydrophobicContact CD2-CG 4.46Å; L381-P420 HydrophobicContact CG-CG 4.3Å; D414-P420 CarbonylContact O-C 3.59Å; D414-P420 WeakPolarHBondContact O-CA 3.44Å; I415-P420 HydrophobicContact CG2-CB 4.18Å
421S91.9Very high90Very high56 Ų5657.3 Ų57.339%0.39230%0.296SS..EExtended strand (participates in β ladder)trans-125.2139.418067.30000111.7W413 D414W413-S421 CarbonylContact C-O 3.58Å; W413-S421 VanDerWaalsContact CA-O 3.31Å; W413-S421 WeakPolarHBondContact CA-O 3.2Å; D414-S421 PolarHBondContact N-O 3.03Å; D414-S421 PolarHBondContact O-N 2.9Å
422L94.4Very high89.8Confident89 Ų8957.6 Ų57.647%0.46630%0.3SS..EExtended strand (participates in β ladder)trans-78.6122.3176.9-177.664.4000109.4K411 W413 H424K411-L422 HydrophobicContact CB-CD1 3.88Å; K411-L422 HydrophobicContact CD-CD1 4.16Å; K411-L422 HydrophobicContact CG-CD1 4.11Å; W413-L422 HydrophobicContact CD2-CD1 3.98Å; W413-L422 HydrophobicContact CE3-CB 3.82Å; W413-L422 HydrophobicContact CE3-CD1 3.99Å; W413-L422 HydrophobicContact CH2-CB 4.07Å; W413-L422 HydrophobicContact CH2-CD1 3.8Å; W413-L422 HydrophobicContact CH2-CG 4.36Å; W413-L422 HydrophobicContact CZ2-CD1 3.78Å; W413-L422 HydrophobicContact CZ3-CB 3.5Å; W413-L422 VanDerWaalsContact CZ3-CB 3.5Å; W413-L422 HydrophobicContact CZ3-CD1 3.91Å; W413-L422 HydrophobicContact CZ3-CG 4.23Å; L422-H424 WeakPolarHBondContact CD1-O 3.44Å
423V93.6Very high89.7Confident29 Ų2957.6 Ų57.618%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-97-41178.6-179.20000111.1I412 D414 S465 V466 A469 F470I412-V423 PolarHBondContact O-N 3.14Å; D414-V423 HydrophobicContact CB-CG2 3.95Å; V423-S465 WeakPolarHBondContact CG1-O 3.28Å; V423-S465 PolarHBondContact O-OG 3.47Å; V423-S465 VanDerWaalsContact O-OG 3.13Å; V423-V466 HydrophobicContact CG1-CG2 4.18Å; V423-A469 HydrophobicContact CG1-CB 3.99Å; V423-A469 HydrophobicContact CG2-CB 4.35Å; V423-F470 HydrophobicContact CB-CE2 4.26Å; V423-F470 HydrophobicContact CG1-CE2 4.12Å; V423-F470 HydrophobicContact CG2-CE2 3.9Å; V423-F470 HydrophobicContact CG2-CZ 4.01Å
424H94.8Very high89.6Confident49 Ų4960 Ų6023%0.22731%0.311CS..EExtended strand (participates in β ladder)trans-155.3152-179.5-168.874.6000112K411 I412 L422 W458 V463 V466K411-H424 WeakPolarHBondContact CA-O 3.47Å; I412-H424 HydrophobicContact CB-CB 4.36Å; I412-H424 HydrophobicContact CD1-CB 4.26Å; I412-H424 PolarHBondContact N-O 2.99Å; I412-H424 PolarHBondContact O-N 3.11Å; L422-H424 WeakPolarHBondContact CD1-O 3.44Å; H424-W458 AromaticContact CD2-CH2 3.93Å; H424-V463 HydrophobicContact CB-CG1 4.4Å; H424-V463 WeakPolarHBondContact ND1-CG1 3.32Å; H424-V466 HydrophobicContact CB-CG2 4.05Å
425S95.4Very high89.5Confident48 Ų4859.5 Ų59.534%0.33631%0.31SS..EExtended strand (participates in β ladder)trans-139.9128.9175.6-179.20000108.8
426R94.1Very high89.6Confident98 Ų9859.4 Ų59.437%0.3731%0.31SS..EExtended strand (participates in β ladder)trans-136.3131.8-176.8-176.6174.7-179.9169.70.7111.3Y409 V410 M428 W458Y409-R426 WeakPolarHBondContact CA-O 3.31Å; V410-R426 PolarHBondContact N-O 2.85Å; V410-R426 PolarHBondContact O-N 3.27Å; R426-M428 HydrophobicContact CG-SD 4.27Å; R426-W458 HydrophobicContact CB-CH2 3.94Å; R426-W458 HydrophobicContact CB-CZ3 4.4Å; R426-W458 HydrophobicContact CG-CH2 4.48Å; R426-W458 VanDerWaalsContact NH1-CE2 3.34Å; R426-W458 VanDerWaalsContact NH1-NE1 3.12Å
427D93.6Very high90.1Very high61 Ų6156.1 Ų56.133%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-80.3119.4165.6-177.6-6.3000108.8Y409 K429Y409-D427 HydrophobicContact CD1-CB 4.11Å; Y409-D427 HydrophobicContact CE1-CB 3.77Å; D427-K429 VanDerWaalsContact C-N 3.27Å; D427-K429 PolarHBondContact O-N 2.62Å; D427-K429 WeakPolarHBondContact OD1-CA 3.12Å; D427-K429 PolarHBondContact OD1-N 2.89Å
428M89.1Confident91Very high3 Ų354.1 Ų54.12%0.01527%0.271CS..  trans-78.6-12.9-179.5-66.9-61.7-82.700112.6K408 V410 R426 M430 L433 F448 R456 W458K408-M428 PolarHBondContact O-N 3.04Å; V410-M428 HydrophobicContact CB-CG 4.37Å; V410-M428 HydrophobicContact CG2-CG 3.62Å; V410-M428 HydrophobicContact CG2-SD 4.49Å; R426-M428 HydrophobicContact CG-SD 4.27Å; M428-M430 HydrophobicContact CB-CB 4.44Å; M428-M430 HydrophobicContact CB-CG 4.14Å; M428-M430 HydrophobicContact CB-SD 4.35Å; M428-M430 PolarHBondContact O-N 2.92Å; M428-L433 HydrophobicContact CB-CD2 4.46Å; M428-L433 HydrophobicContact CG-CD1 4.49Å; M428-F448 HydrophobicContact CE-CD2 3.99Å; M428-R456 HydrophobicContact CE-CG 4.43Å; M428-R456 PolarHBondContact O-NH1 3.47Å; M428-W458 HydrophobicContact CE-CB 4.31Å; M428-W458 HydrophobicContact CE-CE3 4.28Å; M428-W458 HydrophobicContact SD-CE3 4.07Å; M428-W458 HydrophobicContact SD-CZ3 4.44Å
429K90.6Very high92Very high163 Ų16347.9 Ų47.971%0.70924%0.238SC*.SBendtrans5917.3-174-55.6-177.8179.6177.90114.2D427 G431D427-K429 VanDerWaalsContact C-N 3.27Å; D427-K429 PolarHBondContact O-N 2.62Å; D427-K429 WeakPolarHBondContact OD1-CA 3.12Å; D427-K429 PolarHBondContact OD1-N 2.89Å; K429-G431 VanDerWaalsContact C-N 3.34Å
430M87.5Confident92.4Very high0 Ų039 Ų390%021%0.207CC..SBendtrans-92.39.2-179.1-62.7-178.583.300113.1M428 L433 Q451 K452 E453 G454 R456M428-M430 HydrophobicContact CB-CB 4.44Å; M428-M430 HydrophobicContact CB-CG 4.14Å; M428-M430 HydrophobicContact CB-SD 4.35Å; M428-M430 PolarHBondContact O-N 2.92Å; M430-L433 HydrophobicContact CB-CD2 4.1Å; M430-Q451 PolarHBondContact O-N 3.27Å; M430-K452 WeakPolarHBondContact CB-O 3.25Å; M430-K452 WeakPolarHBondContact CE-O 3.3Å; M430-K452 WeakPolarHBondContact O-CB 3.23Å; M430-K452 PolarHBondContact O-N 2.98Å; M430-E453 HydrophobicContact CE-CB 4.37Å; M430-G454 WeakPolarHBondContact CE-O 3.23Å; M430-R456 HydrophobicContact CE-CB 3.62Å; M430-R456 HydrophobicContact SD-CB 3.53Å; M430-R456 VanDerWaalsContact SD-CB 3.53Å; M430-R456 HydrophobicContact SD-CG 4.39Å
431G89.4Confident92.3Very high7 Ų739.5 Ų39.57%0.07221%0.209CC..SBendtrans71.9-148.6-17100000111K408 K429 L433K408-G431 VanDerWaalsContact CG-O 3.31Å; K408-G431 WeakPolarHBondContact CG-O 3.42Å; K429-G431 VanDerWaalsContact C-N 3.34Å; G431-L433 PolarHBondContact O-N 3.41Å
432V91.8Very high92.2Very high37 Ų3738.6 Ų38.622%0.22420%0.199CC..SBendtrans-60.5131175.6176.70000108.7A406 F434 G450 Q451A406-V432 HydrophobicContact CB-CG1 3.83Å; V432-F434 HydrophobicContact CB-CE1 4.41Å; V432-F434 HydrophobicContact CB-CZ 4.4Å; V432-F434 HydrophobicContact CG1-CD1 4.05Å; V432-F434 HydrophobicContact CG1-CE1 3.7Å; V432-F434 HydrophobicContact CG1-CZ 4.17Å; V432-G450 CarbonylContact O-C 3.49Å; V432-G450 WeakPolarHBondContact O-CA 3.47Å; V432-Q451 HydrophobicContact CB-CB 4.35Å; V432-Q451 PolarHBondContact O-N 3.13Å
433L93.6Very high92Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-90.6129.5172.1-60.9174.2000108.1S389 A404 V410 M428 M430 G431S389-L433 WeakPolarHBondContact CB-O 3.45Å; S389-L433 PolarHBondContact OG-O 3.15Å; A404-L433 HydrophobicContact CB-CB 4.3Å; A404-L433 HydrophobicContact CB-CD1 3.94Å; V410-L433 HydrophobicContact CG2-CD1 3.45Å; V410-L433 VanDerWaalsContact CG2-CD1 3.45Å; M428-L433 HydrophobicContact CB-CD2 4.46Å; M428-L433 HydrophobicContact CG-CD1 4.49Å; M430-L433 HydrophobicContact CB-CD2 4.1Å; G431-L433 PolarHBondContact O-N 3.41Å
434F92.5Very high91.9Very high67 Ų6734.3 Ų34.329%0.29418%0.175SC..EExtended strand (participates in β ladder)trans-101.8-30.4-177.6-65.8-60.2000112.8Q6 V7 S389 V432 G449 Q451Q6-F434 HydrophobicContact CB-CE2 4.21Å; Q6-F434 HydrophobicContact CG-CE2 4.4Å; V7-F434 WeakPolarHBondContact O-CD2 3.18Å; S389-F434 WeakPolarHBondContact CB-O 3.35Å; V432-F434 HydrophobicContact CB-CE1 4.41Å; V432-F434 HydrophobicContact CB-CZ 4.4Å; V432-F434 HydrophobicContact CG1-CD1 4.05Å; V432-F434 HydrophobicContact CG1-CE1 3.7Å; V432-F434 HydrophobicContact CG1-CZ 4.17Å; F434-G449 PolarHBondContact N-O 2.84Å; F434-Q451 HydrophobicContact CE2-CB 3.83Å; F434-Q451 HydrophobicContact CE2-CG 4.27Å; F434-Q451 HydrophobicContact CZ-CB 4.24Å; F434-Q451 HydrophobicContact CZ-CG 4.4Å
435C92.2Very high91.8Very high14 Ų1432 Ų3210%0.09517%0.165CC..EExtended strand (participates in β ladder)trans-151.4155.3-178.756.90000111.3C9 V10 G449C9-C435 VanDerWaalsContact CA-SG 3.51Å; V10-C435 HydrophobicContact CG1-CB 4.13Å; C435-G449 PolarHBondContact N-O 2.88Å; C435-G449 PolarHBondContact O-N 3.31Å
436S94.3Very high91.8Very high9 Ų929.7 Ų29.76%0.06315%0.149CC..EExtended strand (participates in β ladder)trans-135.1153.6166.963.30000109.1G390 D392 A447G390-S436 WeakPolarHBondContact CA-OG 3.42Å; D392-S436 WeakPolarHBondContact OD2-CB 3.4Å; D392-S436 VanDerWaalsContact OD2-O 3.07Å; D392-S436 PolarHBondContact OD2-OG 2.85Å; S436-A447 CarbonylContact C-O 3.56Å; S436-A447 VanDerWaalsContact CA-O 3.32Å; S436-A447 WeakPolarHBondContact CA-O 3.21Å
437S94.9Very high91.9Very high22 Ų2225 Ų2515%0.15413%0.131CC..EExtended strand (participates in β ladder)trans-150.5135.2170.3-1680000111.5W12 D392 Y446 A447W12-S437 PolarHBondContact NE1-O 2.91Å; D392-S437 WeakPolarHBondContact OD2-CA 3.09Å; D392-S437 PolarHBondContact OD2-N 2.88Å; D392-S437 VanDerWaalsContact OD2-N 3.15Å; S437-Y446 WeakPolarHBondContact O-CA 3.29Å; S437-A447 PolarHBondContact N-O 2.89Å; S437-A447 PolarHBondContact O-N 2.89Å
438C93.9Very high92Very high16 Ų1622.1 Ų22.111%0.10812%0.116CC..EExtended strand (participates in β ladder)trans-77.1136.1174.8173.70000111W12 D392 S395 Y446W12-C438 VanDerWaalsContact CD1-O 3.24Å; D392-C438 HydrophobicContact CB-CB 4.22Å; S395-C438 PolarHBondContact N-SG 3.42Å; S395-C438 VanDerWaalsContact N-SG 3.36Å; C438-Y446 HydrophobicContact CB-CD1 4.01Å; C438-Y446 HydrophobicContact CB-CE1 3.65Å
439C92.8Very high92.2Very high0 Ų022 Ų220%012%0.115CC..  trans-65.4130168.6179.80000110.4W12 S395 D441 L442 I445W12-C439 HydrophobicContact CD2-CB 3.95Å; W12-C439 HydrophobicContact CE3-CB 4.1Å; W12-C439 HydrophobicContact CH2-CB 4.11Å; W12-C439 HydrophobicContact CZ2-CB 3.96Å; W12-C439 HydrophobicContact CZ3-CB 4.18Å; S395-C439 WeakPolarHBondContact CB-O 3.43Å; S395-C439 PolarHBondContact OG-O 3.39Å; C439-D441 VanDerWaalsContact C-N 3.33Å; C439-D441 PolarHBondContact O-N 3.31Å; C439-L442 HydrophobicContact CB-CB 4.27Å; C439-L442 PolarHBondContact SG-N 3.16Å; C439-I445 HydrophobicContact CB-CB 3.94Å; C439-I445 HydrophobicContact CB-CG2 4.26Å; C439-I445 VanDerWaalsContact CB-O 3.31Å; C439-I445 WeakPolarHBondContact CB-O 3.38Å; C439-I445 PolarHBondContact N-O 2.87Å
440P89.3Confident92.2Very high22 Ų2214.2 Ų14.214%0.1438%0.081CC..SBendtrans-67.8-32.5-179.925.3-33.9000112.7W12 R14 S395 L478W12-P440 VanDerWaalsContact CB-CD 3.42Å; W12-P440 HydrophobicContact CB-CG 4.17Å; R14-P440 HydrophobicContact CG-CB 3.84Å; R14-P440 HydrophobicContact CG-CG 3.54Å; S395-P440 WeakPolarHBondContact CB-O 3.09Å; S395-P440 PolarHBondContact OG-O 3.23Å; P440-L478 WeakPolarHBondContact O-CD1 3.25Å
441D89Confident92.3Very high40 Ų4017.3 Ų17.321%0.21410%0.095CC..SBendtrans-95.4-26.3-173.2-57.6-52.7000112.9R14 C15 N150 Q396 C439R14-D441 VanDerWaalsContact CA-OD2 3.3Å; R14-D441 WeakPolarHBondContact CA-OD2 3.27Å; C15-D441 PolarHBondContact N-OD2 3.43Å; N150-D441 PolarHBondContact ND2-OD2 2.81Å; Q396-D441 PolarHBondContact NE2-O 3.17Å; C439-D441 VanDerWaalsContact C-N 3.33Å; C439-D441 PolarHBondContact O-N 3.31Å
442L90.1Very high92Very high36 Ų3622.7 Ų22.719%0.18812%0.117CC..  trans-119.7114.1-176.4-59.2173000111Y169 Q171 C439 F444 I445Y169-L442 HydrophobicContact CE1-CD1 4.04Å; Q171-L442 HydrophobicContact CB-CD1 3.84Å; Q171-L442 HydrophobicContact CG-CD1 4.35Å; C439-L442 HydrophobicContact CB-CB 4.27Å; C439-L442 PolarHBondContact SG-N 3.16Å; L442-F444 VanDerWaalsContact C-N 3.27Å; L442-F444 PolarHBondContact O-N 3.28Å; L442-F444 VanDerWaalsContact O-N 3.16Å; L442-I445 HydrophobicContact CB-CB 4.02Å; L442-I445 HydrophobicContact CB-CG1 3.64Å; L442-I445 HydrophobicContact CD1-CG1 3.79Å; L442-I445 HydrophobicContact CG-CG1 4.38Å; L442-I445 PolarHBondContact O-N 3.13Å
443P88.9Confident91.4Very high10 Ų1027.4 Ų27.47%0.06514%0.137CC..THydrogen-bonded Turntrans-73.4-13.1-166.626.9-34.9000116S394 Q396 I397S394-P443 WeakPolarHBondContact OG-CB 3.47Å; S394-P443 PolarHBondContact OG-O 2.85Å; Q396-P443 HydrophobicContact CB-CB 3.89Å; Q396-P443 HydrophobicContact CB-CG 4.39Å; Q396-P443 HydrophobicContact CG-CB 4.18Å; I397-P443 HydrophobicContact CD1-CB 3.87Å; I397-P443 HydrophobicContact CD1-CG 4.19Å; I397-P443 HydrophobicContact CG1-CB 3.92Å; I397-P443 HydrophobicContact CG1-CG 4.45Å
444F91.3Very high90.9Very high18 Ų1827.6 Ų27.68%0.07914%0.139CC..THydrogen-bonded Turntrans-111.7-1.3-178.2-63.1-60.2000113.2I397 L442 D459 I460 V466 F470I397-F444 HydrophobicContact CD1-CD1 3.95Å; I397-F444 HydrophobicContact CD1-CD2 4.44Å; I397-F444 HydrophobicContact CD1-CE1 3.22Å; I397-F444 HydrophobicContact CD1-CE2 3.78Å; I397-F444 HydrophobicContact CD1-CZ 3.12Å; L442-F444 VanDerWaalsContact C-N 3.27Å; L442-F444 PolarHBondContact O-N 3.28Å; L442-F444 VanDerWaalsContact O-N 3.16Å; F444-D459 WeakPolarHBondContact O-CA 3.38Å; F444-I460 HydrophobicContact CB-CG1 3.81Å; F444-I460 HydrophobicContact CD1-CD1 3.95Å; F444-I460 HydrophobicContact CD1-CG1 3.7Å; F444-I460 HydrophobicContact CG-CG1 4.23Å; F444-I460 WeakPolarHBondContact O-CG1 3.27Å; F444-I460 PolarHBondContact O-N 2.47Å; F444-V466 HydrophobicContact CD1-CG1 4.48Å; F444-V466 HydrophobicContact CE1-CG1 4.36Å; F444-F470 HydrophobicContact CE1-CB 3.87Å; F444-F470 HydrophobicContact CZ-CB 4.2Å
445I94.2Very high90.9Very high1 Ų125.4 Ų25.41%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-97.2126.1180-55.4-53.2000109.2W12 Y169 C439 L442 V457 D459W12-I445 HydrophobicContact CH2-CG2 3.7Å; W12-I445 HydrophobicContact CZ2-CG2 3.9Å; Y169-I445 HydrophobicContact CE1-CG1 4.31Å; Y169-I445 HydrophobicContact CE1-CG2 3.8Å; C439-I445 HydrophobicContact CB-CB 3.94Å; C439-I445 HydrophobicContact CB-CG2 4.26Å; C439-I445 VanDerWaalsContact CB-O 3.31Å; C439-I445 WeakPolarHBondContact CB-O 3.38Å; C439-I445 PolarHBondContact N-O 2.87Å; L442-I445 HydrophobicContact CB-CB 4.02Å; L442-I445 HydrophobicContact CB-CG1 3.64Å; L442-I445 HydrophobicContact CD1-CG1 3.79Å; L442-I445 HydrophobicContact CG-CG1 4.38Å; L442-I445 PolarHBondContact O-N 3.13Å; I445-V457 HydrophobicContact CG2-CG1 3.44Å; I445-V457 VanDerWaalsContact CG2-CG1 3.44Å; I445-D459 HydrophobicContact CD1-CB 3.36Å; I445-D459 VanDerWaalsContact CD1-CG 3.41Å
446Y95.1Very high90.9Very high0 Ų028 Ų280%014%0.138CC..EExtended strand (participates in β ladder)trans-129.4142.1177.8-67.7-101.5000109.9D392 S394 V402 S437 C438 F448 V457 W458 I460D392-Y446 HydrophobicContact CB-CD1 4.39Å; D392-Y446 HydrophobicContact CB-CE1 4.04Å; S394-Y446 VanDerWaalsContact CA-OH 3.22Å; S394-Y446 WeakPolarHBondContact CA-OH 3.27Å; S394-Y446 WeakPolarHBondContact CB-OH 3.36Å; S394-Y446 PolarHBondContact N-OH 2.93Å; V402-Y446 HydrophobicContact CB-CD1 4.14Å; V402-Y446 HydrophobicContact CB-CE1 3.8Å; V402-Y446 HydrophobicContact CG1-CD1 4.28Å; V402-Y446 HydrophobicContact CG1-CE1 4.43Å; V402-Y446 HydrophobicContact CG2-CD1 4.06Å; V402-Y446 HydrophobicContact CG2-CD2 4.39Å; V402-Y446 HydrophobicContact CG2-CE1 3.5Å; V402-Y446 HydrophobicContact CG2-CE2 3.91Å; V402-Y446 HydrophobicContact CG2-CG 4.47Å; V402-Y446 VanDerWaalsContact CG2-CZ 3.43Å; S437-Y446 WeakPolarHBondContact O-CA 3.29Å; C438-Y446 HydrophobicContact CB-CD1 4.01Å; C438-Y446 HydrophobicContact CB-CE1 3.65Å; Y446-F448 VanDerWaalsContact CB-CE2 3.47Å; Y446-F448 HydrophobicContact CG-CZ 4.26Å; Y446-V457 CarbonylContact O-C 3.52Å; Y446-V457 WeakPolarHBondContact O-CA 3.49Å; Y446-W458 PolarHBondContact N-O 2.76Å; Y446-W458 PolarHBondContact O-N 3.19Å; Y446-I460 HydrophobicContact CD2-CD1 4.22Å; Y446-I460 HydrophobicContact CD2-CG1 4.38Å; Y446-I460 HydrophobicContact CD2-CG2 4.05Å; Y446-I460 HydrophobicContact CE2-CD1 3.62Å; Y446-I460 HydrophobicContact CE2-CG1 4.14Å
447A95.5Very high90.9Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-103.2138.2171.100000109.5V10 W12 I152 S436 S437 L455V10-A447 HydrophobicContact CG2-CB 3.88Å; W12-A447 HydrophobicContact CZ2-CB 3.73Å; I152-A447 HydrophobicContact CD1-CB 4.49Å; I152-A447 HydrophobicContact CG2-CB 4.26Å; S436-A447 CarbonylContact C-O 3.56Å; S436-A447 VanDerWaalsContact CA-O 3.32Å; S436-A447 WeakPolarHBondContact CA-O 3.21Å; S437-A447 PolarHBondContact N-O 2.89Å; S437-A447 PolarHBondContact O-N 2.89Å; A447-L455 HydrophobicContact CB-CD1 4.18Å
448F95.3Very high90.8Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-128.1131.3179.1-59.2-82.3000110.2V402 A404 V410 M428 Y446 R456 W458V402-F448 HydrophobicContact CG1-CE1 4.04Å; V402-F448 HydrophobicContact CG1-CZ 3.91Å; A404-F448 HydrophobicContact CB-CD1 4.18Å; A404-F448 HydrophobicContact CB-CE1 4.26Å; V410-F448 HydrophobicContact CB-CE1 4.44Å; V410-F448 HydrophobicContact CG1-CE1 3.75Å; V410-F448 HydrophobicContact CG1-CZ 3.72Å; V410-F448 HydrophobicContact CG2-CD1 3.92Å; V410-F448 HydrophobicContact CG2-CE1 3.75Å; V410-F448 HydrophobicContact CG2-CG 4.49Å; V410-F448 HydrophobicContact CG2-CZ 4.18Å; M428-F448 HydrophobicContact CE-CD2 3.99Å; Y446-F448 VanDerWaalsContact CB-CE2 3.47Å; Y446-F448 HydrophobicContact CG-CZ 4.26Å; F448-R456 PolarHBondContact N-O 2.61Å; F448-R456 PolarHBondContact O-N 3.08Å; F448-W458 HydrophobicContact CD2-CB 4.38Å; F448-W458 HydrophobicContact CE2-CB 4.07Å; F448-W458 AromaticContact CE2-CE3 3.85Å; F448-W458 HydrophobicContact CE2-CE3 3.85Å; F448-W458 HydrophobicContact CZ-CE3 4.27Å
449G93.8Very high90.8Very high0 Ų029.7 Ų29.70%014%0.143CC..EExtended strand (participates in β ladder)trans-101.2127.4171.500000110.6F434 C435F434-G449 PolarHBondContact N-O 2.84Å; C435-G449 PolarHBondContact N-O 2.88Å; C435-G449 PolarHBondContact O-N 3.31Å
450G91.4Very high90.8Very high0 Ų029.7 Ų29.70%014%0.143CC..EExtended strand (participates in β ladder)trans-126.4171.4-178.900000113.7V7 V432 K452 G454V7-G450 PolarHBondContact N-O 3.25Å; V7-G450 VanDerWaalsContact N-O 3.12Å; V432-G450 CarbonylContact O-C 3.49Å; V432-G450 WeakPolarHBondContact O-CA 3.47Å; G450-K452 VanDerWaalsContact C-N 3.33Å; G450-G454 PolarHBondContact N-O 3.09Å; G450-G454 VanDerWaalsContact N-O 3.14Å
451Q89.6Confident90.9Very high64 Ų6430.3 Ų30.330%0.29915%0.148SC..SBendtrans-68.9-32.5175.5-168.5-172.711.400112.9S4 Q6 M430 V432 F434S4-Q451 PolarHBondContact OG-O 2.95Å; Q6-Q451 HydrophobicContact CG-CG 4.15Å; M430-Q451 PolarHBondContact O-N 3.27Å; V432-Q451 HydrophobicContact CB-CB 4.35Å; V432-Q451 PolarHBondContact O-N 3.13Å; F434-Q451 HydrophobicContact CE2-CB 3.83Å; F434-Q451 HydrophobicContact CE2-CG 4.27Å; F434-Q451 HydrophobicContact CZ-CB 4.24Å; F434-Q451 HydrophobicContact CZ-CG 4.4Å
452K83.7Confident91Very high120 Ų12033 Ų3352%0.52217%0.165SC..SBendtrans-118.5144.3-178.4-57.3-179.3-179.7179.80109.7M430 G450 G454M430-K452 WeakPolarHBondContact CB-O 3.25Å; M430-K452 WeakPolarHBondContact CE-O 3.3Å; M430-K452 WeakPolarHBondContact O-CB 3.23Å; M430-K452 PolarHBondContact O-N 2.98Å; G450-K452 VanDerWaalsContact C-N 3.33Å; K452-G454 PolarHBondContact O-N 3.24Å; K452-G454 VanDerWaalsContact O-N 3.17Å
453E77.4Confident91.1Very high137 Ų13732.2 Ų32.264%0.6416%0.162SC*.SBendtrans64.76.5177.9-57.1-175.6-17700115.7M430 L455 R456M430-E453 HydrophobicContact CE-CB 4.37Å; E453-L455 PolarHBondContact O-N 3.27Å; E453-R456 IonicContact OE2-CZ 3.98Å; E453-R456 IonicContact OE2-NH2 3.06Å; E453-R456 PolarHBondContact OE2-NH2 2.86Å
454G83.5Confident91.2Very high4 Ų435.8 Ų35.84%0.04119%0.187CC..SBendtrans74.5-121.6172.100000113.7R5 V7 M430 G450 K452R5-G454 PolarHBondContact O-N 3.43Å; V7-G454 VanDerWaalsContact CG2-C 3.45Å; M430-G454 WeakPolarHBondContact CE-O 3.23Å; G450-G454 PolarHBondContact N-O 3.09Å; G450-G454 VanDerWaalsContact N-O 3.14Å; K452-G454 PolarHBondContact O-N 3.24Å; K452-G454 VanDerWaalsContact O-N 3.17Å
455L91.8Very high91.2Very high20 Ų2037 Ų3711%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-97.6135.9-175.8178.966.6000110.4V7 V10 I152 C154 F176 A447 E453V7-L455 HydrophobicContact CG2-CB 4.21Å; V10-L455 HydrophobicContact CG2-CD1 3.88Å; I152-L455 HydrophobicContact CB-CD2 4.47Å; I152-L455 HydrophobicContact CG2-CD1 4.47Å; I152-L455 HydrophobicContact CG2-CD2 3.87Å; C154-L455 HydrophobicContact CB-CD1 4.38Å; C154-L455 HydrophobicContact CB-CD2 4.15Å; F176-L455 HydrophobicContact CE2-CD2 4.35Å; F176-L455 HydrophobicContact CZ-CD2 3.88Å; F176-L455 HydrophobicContact CZ-CG 4.28Å; A447-L455 HydrophobicContact CB-CD1 4.18Å; E453-L455 PolarHBondContact O-N 3.27Å
456R92.6Very high91.1Very high70 Ų7036.9 Ų36.926%0.26420%0.198SC..EExtended strand (participates in β ladder)trans-133.9132.7171.4-170.5178.6-68.6171.80.6111.5M428 M430 F448 E453M428-R456 HydrophobicContact CE-CG 4.43Å; M428-R456 PolarHBondContact O-NH1 3.47Å; M430-R456 HydrophobicContact CE-CB 3.62Å; M430-R456 HydrophobicContact SD-CB 3.53Å; M430-R456 VanDerWaalsContact SD-CB 3.53Å; M430-R456 HydrophobicContact SD-CG 4.39Å; F448-R456 PolarHBondContact N-O 2.61Å; F448-R456 PolarHBondContact O-N 3.08Å; E453-R456 IonicContact OE2-CZ 3.98Å; E453-R456 IonicContact OE2-NH2 3.06Å; E453-R456 PolarHBondContact OE2-NH2 2.86Å
457V94.1Very high90.9Very high31 Ų3140.9 Ų40.919%0.18822%0.219CC..EExtended strand (participates in β ladder)trans-95.4137171-174.80000109W12 I152 Y169 F176 I445 Y446W12-V457 HydrophobicContact CH2-CG1 4.24Å; W12-V457 HydrophobicContact CZ2-CG1 4.42Å; I152-V457 HydrophobicContact CD1-CG2 3.39Å; Y169-V457 HydrophobicContact CD2-CG1 4.18Å; Y169-V457 HydrophobicContact CD2-CG2 4.5Å; Y169-V457 HydrophobicContact CE2-CB 4.47Å; Y169-V457 HydrophobicContact CE2-CG1 3.83Å; F176-V457 HydrophobicContact CD2-CG2 4.22Å; F176-V457 HydrophobicContact CE2-CG2 3.85Å; F176-V457 HydrophobicContact CZ-CG2 4.05Å; I445-V457 HydrophobicContact CG2-CG1 3.44Å; I445-V457 VanDerWaalsContact CG2-CG1 3.44Å; Y446-V457 CarbonylContact O-C 3.52Å; Y446-V457 WeakPolarHBondContact O-CA 3.49Å
458W94.5Very high90.6Very high15 Ų1548.1 Ų48.16%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-134.5124.5178.7178.226.8000111.1V410 I412 H424 R426 M428 Y446 F448 I460 V463V410-W458 HydrophobicContact CB-CZ3 4.11Å; V410-W458 HydrophobicContact CG1-CE3 4.47Å; V410-W458 HydrophobicContact CG1-CZ3 3.84Å; I412-W458 HydrophobicContact CD1-CH2 3.93Å; I412-W458 HydrophobicContact CD1-CZ3 4.41Å; H424-W458 AromaticContact CD2-CH2 3.93Å; R426-W458 HydrophobicContact CB-CH2 3.94Å; R426-W458 HydrophobicContact CB-CZ3 4.4Å; R426-W458 HydrophobicContact CG-CH2 4.48Å; R426-W458 VanDerWaalsContact NH1-CE2 3.34Å; R426-W458 VanDerWaalsContact NH1-NE1 3.12Å; M428-W458 HydrophobicContact CE-CB 4.31Å; M428-W458 HydrophobicContact CE-CE3 4.28Å; M428-W458 HydrophobicContact SD-CE3 4.07Å; M428-W458 HydrophobicContact SD-CZ3 4.44Å; Y446-W458 PolarHBondContact N-O 2.76Å; Y446-W458 PolarHBondContact O-N 3.19Å; F448-W458 HydrophobicContact CD2-CB 4.38Å; F448-W458 HydrophobicContact CE2-CB 4.07Å; F448-W458 AromaticContact CE2-CE3 3.85Å; F448-W458 HydrophobicContact CE2-CE3 3.85Å; F448-W458 HydrophobicContact CZ-CE3 4.27Å; W458-I460 HydrophobicContact CD2-CG2 3.88Å; W458-I460 HydrophobicContact CE3-CG2 3.91Å; W458-I460 HydrophobicContact CG-CG2 4.48Å; W458-I460 HydrophobicContact CH2-CG2 4.16Å; W458-I460 HydrophobicContact CZ2-CG2 4.13Å; W458-I460 HydrophobicContact CZ3-CG2 4.05Å; W458-V463 HydrophobicContact CZ2-CG2 3.79Å
459D93.5Very high90.3Very high35 Ų3549.7 Ų49.719%0.18727%0.266CS..EExtended strand (participates in β ladder)trans-82.8107.8164.8-172-9.9000111.1F444 I445 S461 T462F444-D459 WeakPolarHBondContact O-CA 3.38Å; I445-D459 HydrophobicContact CD1-CB 3.36Å; I445-D459 VanDerWaalsContact CD1-CG 3.41Å; D459-S461 PolarHBondContact O-N 3Å; D459-S461 WeakPolarHBondContact OD1-CA 3.39Å; D459-S461 WeakPolarHBondContact OD1-CB 3.2Å; D459-S461 PolarHBondContact OD1-N 3.28Å; D459-S461 PolarHBondContact OD1-OG 2.94Å; D459-S461 PolarHBondContact OD2-OG 3.34Å; D459-T462 HydrophobicContact CB-CG2 4.1Å; D459-T462 PolarHBondContact O-OG1 3.32Å
460I92.9Very high90.1Very high0 Ų049.7 Ų49.70%027%0.266CS..G310 helixtrans-72.9-15.6179.268.8170.1000112.7V402 I412 F444 Y446 W458 T462 V463 V466V402-I460 HydrophobicContact CG2-CD1 4.44Å; I412-I460 HydrophobicContact CD1-CB 3.72Å; I412-I460 HydrophobicContact CD1-CD1 4.07Å; I412-I460 HydrophobicContact CD1-CG1 4.47Å; I412-I460 HydrophobicContact CD1-CG2 3.7Å; F444-I460 HydrophobicContact CB-CG1 3.81Å; F444-I460 HydrophobicContact CD1-CD1 3.95Å; F444-I460 HydrophobicContact CD1-CG1 3.7Å; F444-I460 HydrophobicContact CG-CG1 4.23Å; F444-I460 WeakPolarHBondContact O-CG1 3.27Å; F444-I460 PolarHBondContact O-N 2.47Å; Y446-I460 HydrophobicContact CD2-CD1 4.22Å; Y446-I460 HydrophobicContact CD2-CG1 4.38Å; Y446-I460 HydrophobicContact CD2-CG2 4.05Å; Y446-I460 HydrophobicContact CE2-CD1 3.62Å; Y446-I460 HydrophobicContact CE2-CG1 4.14Å; W458-I460 HydrophobicContact CD2-CG2 3.88Å; W458-I460 HydrophobicContact CE3-CG2 3.91Å; W458-I460 HydrophobicContact CG-CG2 4.48Å; W458-I460 HydrophobicContact CH2-CG2 4.16Å; W458-I460 HydrophobicContact CZ2-CG2 4.13Å; W458-I460 HydrophobicContact CZ3-CG2 4.05Å; I460-T462 PolarHBondContact O-N 2.79Å; I460-V463 WeakPolarHBondContact O-CB 3.38Å; I460-V463 PolarHBondContact O-N 2.83Å; I460-V466 HydrophobicContact CB-CG1 4.23Å; I460-V466 HydrophobicContact CD1-CG1 3.89Å; I460-V466 HydrophobicContact CG1-CG1 3.91Å; I460-V466 WeakPolarHBondContact O-CB 3.31Å; I460-V466 WeakPolarHBondContact O-CG1 3.45Å
461S90.4Very high89.8Confident35 Ų3550.8 Ų50.825%0.24528%0.277CS..G310 helixtrans-68.7-22.6179.377.80000113.1D459 V463D459-S461 PolarHBondContact O-N 3Å; D459-S461 WeakPolarHBondContact OD1-CA 3.39Å; D459-S461 WeakPolarHBondContact OD1-CB 3.2Å; D459-S461 PolarHBondContact OD1-N 3.28Å; D459-S461 PolarHBondContact OD1-OG 2.94Å; D459-S461 PolarHBondContact OD2-OG 3.34Å; S461-V463 PolarHBondContact O-N 3Å
462T90.6Very high89.5Confident96 Ų9659.1 Ų59.159%0.58931%0.306SS*.G310 helixtrans-60.9-21.5173.660.80000112.7D459 I460D459-T462 HydrophobicContact CB-CG2 4.1Å; D459-T462 PolarHBondContact O-OG1 3.32Å; I460-T462 PolarHBondContact O-N 2.79Å
463V93Very high89.6Confident20 Ų2056.2 Ų56.212%0.12129%0.292CS..SBendtrans-84.4119.7176.4-178.20000110H424 W458 I460 S461 S465 V466 N467H424-V463 HydrophobicContact CB-CG1 4.4Å; H424-V463 WeakPolarHBondContact ND1-CG1 3.32Å; W458-V463 HydrophobicContact CZ2-CG2 3.79Å; I460-V463 WeakPolarHBondContact O-CB 3.38Å; I460-V463 PolarHBondContact O-N 2.83Å; S461-V463 PolarHBondContact O-N 3Å; V463-S465 VanDerWaalsContact C-N 3.31Å; V463-S465 WeakPolarHBondContact CG1-OG 3.35Å; V463-S465 PolarHBondContact O-N 3.04Å; V463-V466 HydrophobicContact CB-CB 4.16Å; V463-V466 HydrophobicContact CB-CG2 3.83Å; V463-V466 HydrophobicContact CG1-CG2 3.93Å; V463-V466 WeakPolarHBondContact O-CB 3.4Å; V463-V466 PolarHBondContact O-N 2.92Å; V463-V466 VanDerWaalsContact O-N 3.08Å; V463-N467 PolarHBondContact O-N 3.28Å
464S90.6Very high89.9Confident85 Ų8558 Ų5859%0.59430%0.3SS*.Hα-helixtrans-55-41.7-178.6-49.40000113.5V466 N467 E468S464-V466 VanDerWaalsContact C-N 3.32Å; S464-V466 PolarHBondContact O-N 3.48Å; S464-N467 PolarHBondContact O-N 2.67Å; S464-E468 WeakPolarHBondContact O-CB 3.38Å; S464-E468 VanDerWaalsContact O-CG 3.3Å; S464-E468 WeakPolarHBondContact O-CG 3.49Å; S464-E468 PolarHBondContact O-N 2.68Å
465S92.2Very high89.9Confident43 Ų4364.8 Ų64.830%0.30132%0.324SS..Hα-helixtrans-64.6-35.6179.9620000113V423 V463 A469V423-S465 WeakPolarHBondContact CG1-O 3.28Å; V423-S465 PolarHBondContact O-OG 3.47Å; V423-S465 VanDerWaalsContact O-OG 3.13Å; V463-S465 VanDerWaalsContact C-N 3.31Å; V463-S465 WeakPolarHBondContact CG1-OG 3.35Å; V463-S465 PolarHBondContact O-N 3.04Å; S465-A469 WeakPolarHBondContact O-CB 3.43Å; S465-A469 PolarHBondContact O-N 3.17Å; S465-A469 VanDerWaalsContact O-N 3.11Å
466V91.3Very high89.3Confident0 Ų067 Ų670%034%0.336CS..Hα-helixtrans-70-45.8176.5178.30000109.7I412 V423 H424 F444 I460 V463 S464 E468 A469 F470I412-V466 HydrophobicContact CD1-CG2 3.6Å; I412-V466 HydrophobicContact CG2-CG2 4.41Å; V423-V466 HydrophobicContact CG1-CG2 4.18Å; H424-V466 HydrophobicContact CB-CG2 4.05Å; F444-V466 HydrophobicContact CD1-CG1 4.48Å; F444-V466 HydrophobicContact CE1-CG1 4.36Å; I460-V466 HydrophobicContact CB-CG1 4.23Å; I460-V466 HydrophobicContact CD1-CG1 3.89Å; I460-V466 HydrophobicContact CG1-CG1 3.91Å; I460-V466 WeakPolarHBondContact O-CB 3.31Å; I460-V466 WeakPolarHBondContact O-CG1 3.45Å; V463-V466 HydrophobicContact CB-CB 4.16Å; V463-V466 HydrophobicContact CB-CG2 3.83Å; V463-V466 HydrophobicContact CG1-CG2 3.93Å; V463-V466 WeakPolarHBondContact O-CB 3.4Å; V463-V466 PolarHBondContact O-N 2.92Å; V463-V466 VanDerWaalsContact O-N 3.08Å; S464-V466 VanDerWaalsContact C-N 3.32Å; S464-V466 PolarHBondContact O-N 3.48Å; V466-E468 VanDerWaalsContact C-N 3.32Å; V466-E468 PolarHBondContact O-N 3.44Å; V466-A469 PolarHBondContact O-N 3.35Å; V466-F470 HydrophobicContact CB-CD2 4.46Å; V466-F470 HydrophobicContact CG1-CD2 3.74Å; V466-F470 HydrophobicContact CG1-CE2 4.37Å; V466-F470 WeakPolarHBondContact O-CB 3.42Å; V466-F470 WeakPolarHBondContact O-CD2 3.29Å; V466-F470 PolarHBondContact O-N 3.02Å
467N91.1Very high88.2Confident84 Ų8469.7 Ų69.745%0.44936%0.36SS..Hα-helixtrans-64.6-37.1178.8-165.516.6000112.2V463 S464 G471V463-N467 PolarHBondContact O-N 3.28Å; S464-N467 PolarHBondContact O-N 2.67Å; N467-G471 WeakPolarHBondContact O-CA 3.01Å; N467-G471 PolarHBondContact O-N 2.81Å
468E89.8Confident86.5Confident151 Ų15171.5 Ų71.571%0.70637%0.368SS*.Hα-helixtrans-64.4-42.1173.8-75.6174.5-170.700112.5S464 V466S464-E468 WeakPolarHBondContact O-CB 3.38Å; S464-E468 VanDerWaalsContact O-CG 3.3Å; S464-E468 WeakPolarHBondContact O-CG 3.49Å; S464-E468 PolarHBondContact O-N 2.68Å; V466-E468 VanDerWaalsContact C-N 3.32Å; V466-E468 PolarHBondContact O-N 3.44Å
469A88.1Confident84Confident33 Ų3374.1 Ų74.127%0.27340%0.4SS..Hα-helixtrans-76.1-39-17800000113.6V423 S465 V466 R473V423-A469 HydrophobicContact CG1-CB 3.99Å; V423-A469 HydrophobicContact CG2-CB 4.35Å; S465-A469 WeakPolarHBondContact O-CB 3.43Å; S465-A469 PolarHBondContact O-N 3.17Å; S465-A469 VanDerWaalsContact O-N 3.11Å; V466-A469 PolarHBondContact O-N 3.35Å; A469-R473 PolarHBondContact O-NE 3.17Å; A469-R473 PolarHBondContact O-NH2 2.89Å
470F91Very high81.2Confident1 Ų177 Ų770%0.00442%0.423CS..Hα-helixtrans-117.1-23.9-168.1-60.3-69.2000114.1I397 C400 I412 D414 V423 F444 V466 R472 R473I397-F470 HydrophobicContact CD1-CB 4.41Å; I397-F470 HydrophobicContact CG2-CB 4.17Å; I397-F470 HydrophobicContact CG2-CD1 3.87Å; I397-F470 HydrophobicContact CG2-CG 4.4Å; C400-F470 HydrophobicContact CB-CD1 3.84Å; C400-F470 HydrophobicContact CB-CE1 3.63Å; C400-F470 HydrophobicContact CB-CG 4.37Å; C400-F470 HydrophobicContact CB-CZ 3.99Å; I412-F470 HydrophobicContact CG2-CE2 3.91Å; I412-F470 HydrophobicContact CG2-CZ 4.48Å; D414-F470 HydrophobicContact CB-CE1 4.14Å; D414-F470 HydrophobicContact CB-CZ 3.89Å; V423-F470 HydrophobicContact CB-CE2 4.26Å; V423-F470 HydrophobicContact CG1-CE2 4.12Å; V423-F470 HydrophobicContact CG2-CE2 3.9Å; V423-F470 HydrophobicContact CG2-CZ 4.01Å; F444-F470 HydrophobicContact CE1-CB 3.87Å; F444-F470 HydrophobicContact CZ-CB 4.2Å; V466-F470 HydrophobicContact CB-CD2 4.46Å; V466-F470 HydrophobicContact CG1-CD2 3.74Å; V466-F470 HydrophobicContact CG1-CE2 4.37Å; V466-F470 WeakPolarHBondContact O-CB 3.42Å; V466-F470 WeakPolarHBondContact O-CD2 3.29Å; V466-F470 PolarHBondContact O-N 3.02Å; F470-R472 PolarHBondContact O-N 3.12Å; F470-R472 VanDerWaalsContact O-N 3.16Å; F470-R473 WeakPolarHBondContact O-CB 3.44Å; F470-R473 PolarHBondContact O-N 3.42Å
471G83.2Confident78.3Confident23 Ų2382.1 Ų82.124%0.23747%0.465CS..THydrogen-bonded Turntrans-63-25.9-173.500000114.5N467N467-G471 WeakPolarHBondContact O-CA 3.01Å; N467-G471 PolarHBondContact O-N 2.81Å
472R83.8Confident75.4Confident239 Ų23990.8 Ų90.890%0.90249%0.493SS*.THydrogen-bonded Turntrans-93.2-3177.3-61.4-177.9-174.3169.34.1114.2F470F470-R472 PolarHBondContact O-N 3.12Å; F470-R472 VanDerWaalsContact O-N 3.16Å
473R86.1Confident72.7Confident58 Ų5894 Ų9422%0.21951%0.506CS..SBendtrans-76150.8-177.4-66-173.3-171.1-163.1-9.2111I397 K398 D414 A469 F470 R475I397-R473 HydrophobicContact CG2-CB 4.22Å; K398-R473 PolarHBondContact O-NH1 3.31Å; D414-R473 IonicContact OD1-CZ 3.35Å; D414-R473 IonicContact OD1-NH1 3.62Å; D414-R473 PolarHBondContact OD1-NH1 3.18Å; D414-R473 IonicContact OD1-NH2 3.52Å; D414-R473 PolarHBondContact OD1-NH2 3.03Å; D414-R473 IonicContact OD2-CZ 3.42Å; D414-R473 IonicContact OD2-NH1 2.98Å; D414-R473 IonicContact OD2-NH2 2.74Å; D414-R473 PolarHBondContact OD2-NH2 3.35Å; A469-R473 PolarHBondContact O-NE 3.17Å; A469-R473 PolarHBondContact O-NH2 2.89Å; F470-R473 WeakPolarHBondContact O-CB 3.44Å; F470-R473 PolarHBondContact O-N 3.42Å; R473-R475 PolarHBondContact O-N 3.32Å
474E82.9Confident69.6Low176 Ų17699 Ų9982%0.82254%0.542SS*.PPolyproline II helixtrans-61.7133.9171.2-68.6-177.1169.800110.2
475R84.6Confident66.7Low146 Ų146100 Ų10055%0.55155%0.548SS*.BIsolated β-bridgetrans-93.6133.2176.4-58.9-179.3-172.2179.10.2108.8Q396 R473 V477Q396-R475 HydrophobicContact CB-CB 4.32Å; R473-R475 PolarHBondContact O-N 3.32Å; R475-V477 PolarHBondContact O-N 2.78Å
476L79.8Confident63.8Low67 Ų67105.5 Ų105.535%0.35157%0.573SS.*  trans-71.6113.4167.3-172.4121.4000108.1F353 Q396 L478F353-L476 HydrophobicContact CD1-CD1 4.05Å; F353-L476 HydrophobicContact CE1-CB 3.82Å; F353-L476 HydrophobicContact CE1-CD1 4.06Å; F353-L476 HydrophobicContact CE1-CG 4.38Å; Q396-L476 WeakPolarHBondContact CB-O 3.42Å; Q396-L476 WeakPolarHBondContact CG-O 3.27Å; Q396-L476 PolarHBondContact O-N 3.21Å; L476-L478 HydrophobicContact CD2-CD2 4.03Å; L476-L478 PolarHBondContact O-N 3.5Å
477V69.6Low60.8Low126 Ų126111.1 Ų111.176%0.76461%0.612SS**  trans-75.1111.5175.1-178.40000107.5R475 G479R475-V477 PolarHBondContact O-N 2.78Å; V477-G479 PolarHBondContact O-N 3.23Å
478L58.4Low57.8Low68 Ų68109.9 Ų109.936%0.35662%0.619SS.*  trans-67.4104.3166.7-68.4171.6000107.2P440 L476 S480P440-L478 WeakPolarHBondContact O-CD1 3.25Å; L476-L478 HydrophobicContact CD2-CD2 4.03Å; L476-L478 PolarHBondContact O-N 3.5Å; L478-S480 PolarHBondContact O-N 3.07Å
479G42Very low55.1Low70 Ų70109 Ų10972%0.72263%0.627SS**  trans-62111174.400000109.5V477 A481V477-G479 PolarHBondContact O-N 3.23Å; G479-A481 PolarHBondContact O-N 2.86Å
480S33.3Very low52.4Low96 Ų96117.1 Ų117.167%0.67166%0.656SS**  trans-55.2125.3154.1-179.80000106.3L478 R482L478-S480 PolarHBondContact O-N 3.07Å; S480-R482 PolarHBondContact O-N 2.81Å
481A32.6Very low49.5Very low108 Ų108120.6 Ų120.689%0.89369%0.692SS**  trans-65.580.1174.400000109.2G479G479-A481 PolarHBondContact O-N 2.86Å
482R30Very low47.1Very low217 Ų217125 Ų12582%0.81972%0.719SS**  trans-125.699.5167.2-85.4-176163.1180-2.3107.2S480 S484S480-R482 PolarHBondContact O-N 2.81Å; R482-S484 PolarHBondContact O-N 2.85Å
483N33.9Very low44.6Very low164 Ų164125.5 Ų125.588%0.87772%0.721SS**  trans28.488.4159.3-74.3-14.8000116.5
484S27.8Very low42.1Very low124 Ų124127.7 Ų127.787%0.86775%0.745SS**  trans-96.996.4149.654.20000108.8R482R482-S484 PolarHBondContact O-N 2.85Å
485S28.3Very low39.8Very low105 Ų105124.7 Ų124.773%0.73474%0.744SS**  trans-72.6122.3161.342.40000108.6
486I32.5Very low37.4Very low160 Ų160125 Ų12582%0.82176%0.756SS**  trans36.8115.4146.3-62.8169.1000117.6
487S28.5Very low35.6Very low118 Ų118128.4 Ų128.483%0.82578%0.78SS**  -167.591121.445.10000111
488G28.3Very low34.4Very low57 Ų57128.2 Ų128.259%0.58878%0.782SS**  trans-83.6139.3162.600000109.9F490G488-F490 PolarHBondContact O-N 2.62Å
489P33Very low33.5Very low134 Ų134133.6 Ų133.687%0.8781%0.807SS**  trans-81.786.917233.2-28.8000108.2G491P489-G491 VanDerWaalsContact C-N 3.35Å; P489-G491 PolarHBondContact O-N 3.25Å; P489-G491 VanDerWaalsContact O-N 3.09Å
490F30.6Very low33.5Very low203 Ų203139.6 Ų139.689%0.8982%0.816SS**  trans-75.493.1162.9-89.3-81.2000108.6G488 S492G488-F490 PolarHBondContact O-N 2.62Å; F490-S492 PolarHBondContact O-N 3.09Å; F490-S492 VanDerWaalsContact O-N 3.15Å
491G30.3Very low33.9Very low73 Ų73144.2 Ų144.275%0.75385%0.849SS**  trans-6999.4162.600000109.6P489 R493P489-G491 VanDerWaalsContact C-N 3.35Å; P489-G491 PolarHBondContact O-N 3.25Å; P489-G491 VanDerWaalsContact O-N 3.09Å; G491-R493 PolarHBondContact O-N 3.35Å
492S32.6Very low33.9Very low115 Ų115146.1 Ų146.180%0.80485%0.846SS**  trans-68.2107.6167.545.30000109.6F490 S494F490-S492 PolarHBondContact O-N 3.09Å; F490-S492 VanDerWaalsContact O-N 3.15Å; S492-S494 PolarHBondContact O-N 3.13Å
493R30.8Very low34.1Very low251 Ų251142.3 Ų142.395%0.94785%0.848SS**  trans-78.998.3161.6-89.6-178.9170.3179.5-2.6108.2G491G491-R493 PolarHBondContact O-N 3.35Å
494S33.9Very low34.2Very low103 Ų103141.1 Ų141.172%0.7285%0.846SS**  trans-76116.416347.90000109.5S492 D496S492-S494 PolarHBondContact O-N 3.13Å; S494-D496 PolarHBondContact O-N 3.05Å
495S35.3Very low34.5Very low114 Ų114142.1 Ų142.180%0.79785%0.845SS**  trans-87.493.2166.954.20000108.9
496D34.2Very low34.9Very low152 Ų152144.4 Ų144.481%0.81385%0.852SS**  trans-113.1111.5162.3-88.3-35.2000108.5S494S494-D496 PolarHBondContact O-N 3.05Å
497T41.4Very low35.1Very low138 Ų138143.4 Ų143.485%0.84785%0.854SS**PPolyproline II helixtrans-99.6125.4165.6230000107
498P45.4Very low35.6Very low123 Ų123145.2 Ų145.280%0.79986%0.856SS**PPolyproline II helixtrans-85.5133.1166.431-26.7000110
499M38.8Very low36.1Very low181 Ų181152 Ų15289%0.89288%0.877SS**PPolyproline II helixtrans-68.4171158.5-88.7-173.5178.600110.7
500E41.4Very low36.4Very low196 Ų196153.5 Ų153.592%0.91688%0.877SS**  trans93.1122-178.9-54.6-170.9129.100112.4
501S41.9Very low36.9Very low193 Ų193149 Ų149100%1.3588%0.876SS**  cis-160.5017.5540000110.3

Retrieved 501 of 501 residues in 88.4 ms (Link to these results)

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