A0A087X0T8_HUMAN Loading...

Cell adhesion molecule 1

AlphaFold DB , UniProt , Accession A0A087X0T8, Species HUMAN (Homo sapiens, Human), Gene CADM1, Length 346 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
1G41.2Very low83.1Confident130 Ų13080.2 Ų80.2100%1.3449%0.489SS*.  093.6000000105.9G3G1-G3 PolarHBondContact O-N 2.9Å
2D55.9Low84.4Confident146 Ų14681 Ų8178%0.78149%0.494SS*.  trans-6397.1-177.8-90.6-30.8000109.3
3G68.8Low85.4Confident60 Ų6075.3 Ų75.362%0.61946%0.459SS*.  trans-79.7124.117000000108.1G1 N5G1-G3 PolarHBondContact O-N 2.9Å; G3-N5 PolarHBondContact O-N 3.47Å; G3-N5 VanDerWaalsContact O-N 3.17Å
4Q78.2Confident86.2Confident102 Ų10272.9 Ų72.948%0.47744%0.442SS..  trans-38.9120.8169.3-172.183.818.200110.4L6 F7 E92Q4-L6 WeakPolarHBondContact CG-O 3.46Å; Q4-L6 PolarHBondContact NE2-O 3.06Å; Q4-F7 WeakPolarHBondContact O-CE2 3.45Å; Q4-F7 WeakPolarHBondContact O-CZ 3.41Å; Q4-E92 PolarHBondContact NE2-O 2.91Å; Q4-E92 VanDerWaalsContact NE2-O 3.08Å
5N90Very high86.9Confident23 Ų2371.9 Ų71.912%0.12343%0.43CS..  trans-101.4-18-177.8-165.228.3000112.4G3 F7 V25 N26 K27G3-N5 PolarHBondContact O-N 3.47Å; G3-N5 VanDerWaalsContact O-N 3.17Å; N5-F7 WeakPolarHBondContact O-CD2 3.44Å; N5-F7 WeakPolarHBondContact O-CE2 3.23Å; N5-V25 WeakPolarHBondContact ND2-CG1 3.32Å; N5-V25 WeakPolarHBondContact O-CA 3.39Å; N5-N26 PolarHBondContact O-N 2.78Å; N5-N26 PolarHBondContact OD1-N 3.4Å; N5-K27 PolarHBondContact ND2-O 3.27Å; N5-K27 PolarHBondContact OD1-N 2.8Å
6L94.2Very high87.5Confident0 Ų069.8 Ų69.80%043%0.428CS..EExtended strand (participates in β ladder)trans-103.8128.1180-175.966.9000111.5Q4 C23 Q24 V25 C83 L85Q4-L6 WeakPolarHBondContact CG-O 3.46Å; Q4-L6 PolarHBondContact NE2-O 3.06Å; L6-C23 HydrophobicContact CD1-CB 4.34Å; L6-Q24 CarbonylContact C-O 3.51Å; L6-Q24 WeakPolarHBondContact CA-O 3.47Å; L6-V25 HydrophobicContact CD1-CG2 3.89Å; L6-C83 HydrophobicContact CD1-CB 4.3Å; L6-C83 HydrophobicContact CD2-CB 3.81Å; L6-C83 WeakPolarHBondContact CD2-O 3.39Å; L6-C83 HydrophobicContact CG-CB 4.28Å; L6-L85 HydrophobicContact CB-CB 4.4Å; L6-L85 HydrophobicContact CB-CD2 4.47Å; L6-L85 HydrophobicContact CD1-CB 4.37Å; L6-L85 HydrophobicContact CD2-CB 3.92Å; L6-L85 HydrophobicContact CG-CB 4.47Å
7F95.9Very high88.1Confident90 Ų9071.9 Ų71.940%0.39543%0.432SS..EExtended strand (participates in β ladder)trans-128.5146.7-174-59.2-89.2000111.9Q4 N5 Q24 N26Q4-F7 WeakPolarHBondContact O-CE2 3.45Å; Q4-F7 WeakPolarHBondContact O-CZ 3.41Å; N5-F7 WeakPolarHBondContact O-CD2 3.44Å; N5-F7 WeakPolarHBondContact O-CE2 3.23Å; F7-Q24 HydrophobicContact CB-CB 4.49Å; F7-Q24 PolarHBondContact N-O 2.96Å; F7-Q24 PolarHBondContact O-N 3.29Å; F7-N26 HydrophobicContact CD2-CB 4.29Å; F7-N26 HydrophobicContact CE2-CB 3.7Å
8T96.6Very high88.7Confident29 Ų2972.3 Ų72.318%0.17844%0.435CS..  trans-143.2160.818044.50000108.5C83 S93 Y94T8-C83 HydrophobicContact CG2-CB 3.95Å; T8-C83 WeakPolarHBondContact CG2-SG 3.24Å; T8-S93 PolarHBondContact OG1-OG 3.3Å; T8-Y94 WeakPolarHBondContact CB-O 3.29Å; T8-Y94 VanDerWaalsContact OG1-C 3.22Å; T8-Y94 PolarHBondContact OG1-N 3.48Å; T8-Y94 PolarHBondContact OG1-O 3.13Å
9K97.1Very high89.2Confident168 Ų16868.6 Ų68.673%0.7341%0.412SS*.  trans-131.7139.4173.1-66.3-176.8-179.7179.70109T95K9-T95 VanDerWaalsContact O-CB 3.27Å; K9-T95 WeakPolarHBondContact O-CB 3.47Å; K9-T95 PolarHBondContact O-OG1 3.36Å
10D98.2Very high89.7Confident110 Ų11068 Ų6859%0.58841%0.409SS*.  trans-60.5148.2173.7-68.3-27.1000110.9T95 T96D10-T95 WeakPolarHBondContact CA-OG1 3.15Å; D10-T96 WeakPolarHBondContact OD1-CB 3.04Å; D10-T96 PolarHBondContact OD1-N 2.71Å; D10-T96 PolarHBondContact OD1-OG1 2.87Å
11V98.1Very high90.1Very high24 Ų2464.8 Ų64.815%0.14539%0.39CS..EExtended strand (participates in β ladder)trans-124.2121-175.2-178.20000108.5A19 T20 T96 I97 T98V11-A19 HydrophobicContact CG1-CB 3.99Å; V11-T20 WeakPolarHBondContact CG2-O 3.42Å; V11-T96 PolarHBondContact N-O 3.03Å; V11-I97 HydrophobicContact CB-CG1 4.38Å; V11-I97 WeakPolarHBondContact O-CA 3.43Å; V11-T98 PolarHBondContact O-N 3.34Å
12T98Very high92.8Very high90 Ų9059.8 Ų59.855%0.55233%0.334SS*.EExtended strand (participates in β ladder)trans-106.2129.3169.4-55.80000108.4T98 L100T12-T98 WeakPolarHBondContact CA-O 3.38Å; T12-L100 HydrophobicContact CG2-CD1 3.48Å; T12-L100 VanDerWaalsContact CG2-CD1 3.48Å; T12-L100 HydrophobicContact CG2-CD2 3.87Å; T12-L100 HydrophobicContact CG2-CG 3.48Å; T12-L100 VanDerWaalsContact CG2-CG 3.48Å
13V97.9Very high94.8Very high7 Ų752.8 Ų52.84%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-139.9145.6-173.6630000110.2E17 A19 V73 I97 T98 V99 L100V13-E17 HydrophobicContact CG2-CB 3.93Å; V13-A19 HydrophobicContact CB-CB 4.25Å; V13-A19 HydrophobicContact CG1-CB 4.13Å; V13-A19 HydrophobicContact CG2-CB 4.28Å; V13-V73 HydrophobicContact CG1-CB 4.19Å; V13-V73 HydrophobicContact CG1-CG1 3.69Å; V13-V73 HydrophobicContact CG1-CG2 4.22Å; V13-V73 HydrophobicContact CG2-CG2 4.28Å; V13-I97 HydrophobicContact CG1-CG2 4.11Å; V13-T98 PolarHBondContact N-O 3.09Å; V13-V99 HydrophobicContact CG1-CG2 4.09Å; V13-V99 CarbonylContact O-C 3.44Å; V13-V99 WeakPolarHBondContact O-CA 3.49Å; V13-L100 PolarHBondContact O-N 3.46Å
14I97.4Very high96.1Very high42 Ų4254 Ų5422%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-80.9140.5175.1-55.7176.3000108.9G16 E17 L100 P102 A185I14-G16 PolarHBondContact O-N 2.98Å; I14-E17 HydrophobicContact CB-CG 3.99Å; I14-E17 VanDerWaalsContact O-CB 3.28Å; I14-E17 WeakPolarHBondContact O-CB 3.25Å; I14-E17 PolarHBondContact O-N 2.92Å; I14-L100 WeakPolarHBondContact CA-O 3.46Å; I14-P102 HydrophobicContact CG2-CG 4.33Å; I14-A185 HydrophobicContact CD1-CB 3.85Å; I14-A185 WeakPolarHBondContact CD1-O 3.41Å; I14-A185 HydrophobicContact CG1-CB 3.75Å; I14-A185 HydrophobicContact CG2-CB 4.27Å
15E96.7Very high96.9Very high57 Ų5749.5 Ų49.527%0.26627%0.266SS..THydrogen-bonded Turntrans-50.3133.4175.8-175.8-170.7-135.100111.8E17 V99 L100 V101 R104E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.27Å; E15-V99 HydrophobicContact CB-CG1 4.05Å; E15-L100 PolarHBondContact N-O 3.17Å; E15-V101 HydrophobicContact CB-CG2 4.13Å; E15-R104 IonicContact OE2-CZ 3.61Å; E15-R104 IonicContact OE2-NH2 3.7Å; E15-R104 PolarHBondContact OE2-NH2 3.47Å
16G96.5Very high97Very high39 Ų3954.1 Ų54.140%0.40229%0.291SS..THydrogen-bonded Turntrans86-16.4-176.900000114.3I14 V73I14-G16 PolarHBondContact O-N 2.98Å; G16-V73 PolarHBondContact N-O 3.48Å
17E97.5Very high96.8Very high106 Ų10661.7 Ų61.750%0.49532%0.324SS..SBendtrans-81.3-169.7177.1-59.7-167.2157.800112.3V13 I14 E15 N72 V73V13-E17 HydrophobicContact CG2-CB 3.93Å; I14-E17 HydrophobicContact CB-CG 3.99Å; I14-E17 VanDerWaalsContact O-CB 3.28Å; I14-E17 WeakPolarHBondContact O-CB 3.25Å; I14-E17 PolarHBondContact O-N 2.92Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.27Å; E17-N72 PolarHBondContact O-N 2.57Å; E17-V73 WeakPolarHBondContact O-CG2 3.39Å; E17-V73 PolarHBondContact O-N 3.35Å; E17-V73 VanDerWaalsContact O-N 3.09Å
18V98.4Very high96.2Very high79 Ų7959.7 Ų59.748%0.47932%0.321SS..  trans-111.5120.7-175.6-175.90000110L70 T71V18-L70 CarbonylContact C-O 3.44Å; V18-L70 WeakPolarHBondContact CA-O 3.39Å; V18-T71 HydrophobicContact CG1-CG2 4.26Å; V18-T71 HydrophobicContact CG2-CG2 4.14Å
19A98.4Very high95.7Very high1 Ų163 Ų631%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-87.8147.717000000110.6V11 V13 S69 L70 V73 I97V11-A19 HydrophobicContact CG1-CB 3.99Å; V13-A19 HydrophobicContact CB-CB 4.25Å; V13-A19 HydrophobicContact CG1-CB 4.13Å; V13-A19 HydrophobicContact CG2-CB 4.28Å; A19-S69 CarbonylContact O-C 3.59Å; A19-S69 VanDerWaalsContact O-CA 3.28Å; A19-S69 WeakPolarHBondContact O-CA 3.28Å; A19-L70 HydrophobicContact CB-CB 4.38Å; A19-L70 PolarHBondContact N-O 2.97Å; A19-L70 PolarHBondContact O-N 2.93Å; A19-V73 HydrophobicContact CB-CG2 3.82Å; A19-I97 HydrophobicContact CB-CD1 4.15Å
20T98.4Very high95.2Very high56 Ų5660.8 Ų60.834%0.34433%0.334SS..EExtended strand (participates in β ladder)trans-121.9115.9174.7-62.80000110.3V11 L59 K67V11-T20 WeakPolarHBondContact CG2-O 3.42Å; T20-L59 HydrophobicContact CG2-CD1 3.92Å; T20-K67 HydrophobicContact CG2-CD 4.25Å; T20-K67 HydrophobicContact CG2-CG 3.86Å
21I98.4Very high94.9Very high1 Ų156.7 Ų56.71%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-95.9128.7176.5-58.6162.3000108.3L35 F56 K67 V68 Y81 T95 I97I21-L35 HydrophobicContact CB-CD2 4.36Å; I21-L35 HydrophobicContact CD1-CD2 4.22Å; I21-L35 HydrophobicContact CG2-CD1 3.73Å; I21-L35 HydrophobicContact CG2-CD2 3.92Å; I21-F56 HydrophobicContact CD1-CE1 4.3Å; I21-K67 CarbonylContact O-C 3.59Å; I21-K67 WeakPolarHBondContact O-CA 3.28Å; I21-V68 PolarHBondContact N-O 3.11Å; I21-V68 PolarHBondContact O-N 2.8Å; I21-Y81 HydrophobicContact CD1-CD1 3.68Å; I21-Y81 HydrophobicContact CD1-CE1 4.05Å; I21-Y81 HydrophobicContact CD1-CG 4.02Å; I21-T95 HydrophobicContact CG2-CG2 3.82Å; I21-I97 HydrophobicContact CD1-CD1 3.91Å; I21-I97 HydrophobicContact CG1-CD1 3.95Å
22S97.8Very high94.7Very high25 Ų2557 Ų5718%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-127.4120.8174.9-134.60000111.2E65S22-E65 PolarHBondContact OG-OE1 3.46Å
23C97.6Very high94.6Very high0 Ų052.9 Ų52.90%029%0.29CS..EExtended strand (participates in β ladder)trans-95.5114.4166.3-52.40000107.9L6 I33 E65 L66 C83L6-C23 HydrophobicContact CD1-CB 4.34Å; C23-I33 HydrophobicContact CB-CG2 3.74Å; C23-E65 VanDerWaalsContact O-CA 3.3Å; C23-E65 WeakPolarHBondContact O-CA 3.43Å; C23-L66 HydrophobicContact CB-CB 4.24Å; C23-L66 PolarHBondContact N-O 3.23Å; C23-L66 PolarHBondContact O-N 3.26Å; C23-C83 VanDerWaalsContact CA-SG 3.59Å; C23-C83 HydrophobicContact CB-CB 3.68Å; C23-C83 WeakPolarHBondContact CB-SG 3.35Å; C23-C83 WeakPolarHBondContact SG-CB 3.31Å; C23-C83 CovalentContact SG-SG 2.02Å; C23-C83 PolarHBondContact SG-SG 3.47Å
24Q96.9Very high94.6Very high84 Ų8453.2 Ų53.239%0.39329%0.291SS..EExtended strand (participates in β ladder)trans-114.2134.8-176.6-67.2-175.8-21.200111.3L6 F7 E65L6-Q24 CarbonylContact C-O 3.51Å; L6-Q24 WeakPolarHBondContact CA-O 3.47Å; F7-Q24 HydrophobicContact CB-CB 4.49Å; F7-Q24 PolarHBondContact N-O 2.96Å; F7-Q24 PolarHBondContact O-N 3.29Å; Q24-E65 HydrophobicContact CG-CG 4.18Å; Q24-E65 PolarHBondContact NE2-OE1 3.01Å
25V95.8Very high94.7Very high9 Ų951.2 Ų51.26%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-114.1124178.7-174.80000108.8N5 L6 I33 S64 L85N5-V25 WeakPolarHBondContact ND2-CG1 3.32Å; N5-V25 WeakPolarHBondContact O-CA 3.39Å; L6-V25 HydrophobicContact CD1-CG2 3.89Å; V25-I33 HydrophobicContact CG2-CD1 3.7Å; V25-I33 HydrophobicContact CG2-CG1 4.06Å; V25-S64 PolarHBondContact N-O 2.73Å; V25-L85 HydrophobicContact CG1-CD2 4Å; V25-L85 HydrophobicContact CG2-CD1 3.87Å; V25-L85 HydrophobicContact CG2-CD2 4.21Å
26N91.6Very high94.7Very high119 Ų11948.9 Ų48.964%0.63627%0.27SS*.SBendtrans-74.9-49-173.8-175.821.8000112.5N5 F7N5-N26 PolarHBondContact O-N 2.78Å; N5-N26 PolarHBondContact OD1-N 3.4Å; F7-N26 HydrophobicContact CD2-CB 4.29Å; F7-N26 HydrophobicContact CE2-CB 3.7Å
27K89.1Confident94.8Very high160 Ų16047.8 Ų47.870%0.69626%0.255SS*.SBendtrans-116.595.5174.8-67.1-178.7-178.2178.30108.6N5N5-K27 PolarHBondContact ND2-O 3.27Å; N5-K27 PolarHBondContact OD1-N 2.8Å
28S84.3Confident94.8Very high47 Ų4745 Ų4533%0.32925%0.246SC..  trans-77.7135.1178.8-173.40000111.4D30 S63S28-D30 PolarHBondContact OG-N 3.48Å; S28-S63 VanDerWaalsContact CB-O 3.31Å; S28-S63 WeakPolarHBondContact CB-O 3.47Å; S28-S63 VanDerWaalsContact OG-CB 3.27Å; S28-S63 WeakPolarHBondContact OG-CB 3.44Å; S28-S63 PolarHBondContact OG-O 2.88Å
29D86.4Confident94.8Very high100 Ų10047.4 Ų47.454%0.53526%0.256SS..  trans-116.124169.659.3-12.5000110.9S31D29-S31 PolarHBondContact O-N 2.83Å; D29-S31 WeakPolarHBondContact OD1-CB 3.37Å; D29-S31 PolarHBondContact OD1-N 3.19Å; D29-S31 PolarHBondContact OD1-OG 2.9Å
30D86.2Confident94.7Very high121 Ų12153.4 Ų53.465%0.64728%0.279SS*.SBendtrans61.116.5-172.7-62.1-40.3000114.7S28 S63S28-D30 PolarHBondContact OG-N 3.48Å; D30-S63 WeakPolarHBondContact OD1-CB 3.38Å
31S91.4Very high94.7Very high24 Ų2455.6 Ų55.617%0.16829%0.285CS..PPolyproline II helixtrans-56148169.5-89.60000112.6D29 Y86 T87D29-S31 PolarHBondContact O-N 2.83Å; D29-S31 WeakPolarHBondContact OD1-CB 3.37Å; D29-S31 PolarHBondContact OD1-N 3.19Å; D29-S31 PolarHBondContact OD1-OG 2.9Å; S31-Y86 WeakPolarHBondContact CB-O 3.3Å; S31-Y86 PolarHBondContact OG-O 2.82Å; S31-T87 VanDerWaalsContact OG-CG2 3.3Å; S31-T87 WeakPolarHBondContact OG-CG2 3.27Å
32V93.9Very high94.6Very high31 Ų3157.5 Ų57.519%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-76.6131.4-175.5176.70000111F45 R46 L85 Y86V32-F45 HydrophobicContact CG1-CD1 4.43Å; V32-F45 HydrophobicContact CG1-CD2 4.19Å; V32-F45 HydrophobicContact CG1-CE1 3.95Å; V32-F45 HydrophobicContact CG1-CE2 3.69Å; V32-F45 HydrophobicContact CG1-CZ 3.56Å; V32-R46 HydrophobicContact CG1-CG 3.67Å; V32-R46 HydrophobicContact CG2-CG 4.47Å; V32-L85 WeakPolarHBondContact O-CA 3.49Å; V32-Y86 HydrophobicContact CB-CD2 4.21Å; V32-Y86 HydrophobicContact CG1-CD2 4.26Å; V32-Y86 WeakPolarHBondContact O-CD2 3.32Å; V32-Y86 PolarHBondContact O-N 2.82Å
33I96.5Very high94.7Very high2 Ų256.3 Ų56.31%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-99.2133172.1-48.2171.4000109.4C23 V25 R46 L66 Q84 L85C23-I33 HydrophobicContact CB-CG2 3.74Å; V25-I33 HydrophobicContact CG2-CD1 3.7Å; V25-I33 HydrophobicContact CG2-CG1 4.06Å; I33-R46 PolarHBondContact O-N 3.32Å; I33-L66 HydrophobicContact CB-CB 4.19Å; I33-L66 HydrophobicContact CB-CD2 4.42Å; I33-L66 HydrophobicContact CD1-CB 4.36Å; I33-L66 HydrophobicContact CG2-CB 3.76Å; I33-L66 HydrophobicContact CG2-CD2 3.94Å; I33-Q84 WeakPolarHBondContact CA-O 3.35Å; I33-L85 HydrophobicContact CG1-CD1 3.9Å
34Q97.4Very high94.7Very high14 Ų1456.7 Ų56.77%0.06529%0.29CS..EExtended strand (participates in β ladder)trans-125.6139.7173.3-175.7-173.435.100110.2L36 T42 Y44 F45 C83 Q84 Y86Q34-L36 HydrophobicContact CG-CD2 4.38Å; Q34-L36 HydrophobicContact CG-CG 4.44Å; Q34-T42 HydrophobicContact CG-CG2 3.87Å; Q34-T42 PolarHBondContact NE2-OG1 2.96Å; Q34-Y44 WeakPolarHBondContact CA-O 3.36Å; Q34-Y44 WeakPolarHBondContact CG-O 3.45Å; Q34-F45 HydrophobicContact CB-CD2 4.07Å; Q34-F45 HydrophobicContact CG-CD2 4.02Å; Q34-C83 CarbonylContact O-C 3.59Å; Q34-C83 WeakPolarHBondContact O-CA 3.32Å; Q34-Q84 HydrophobicContact CB-CB 4.44Å; Q34-Q84 PolarHBondContact N-O 3.47Å; Q34-Q84 PolarHBondContact O-N 2.92Å; Q34-Y86 HydrophobicContact CB-CE2 3.91Å; Q34-Y86 PolarHBondContact OE1-OH 2.87Å
35L98.5Very high94.7Very high0 Ų056.5 Ų56.50%029%0.288CS..EExtended strand (participates in β ladder)trans-112.3129.1172.6178.965.3000110.3I21 I43 Y44 L66 V68 F82I21-L35 HydrophobicContact CB-CD2 4.36Å; I21-L35 HydrophobicContact CD1-CD2 4.22Å; I21-L35 HydrophobicContact CG2-CD1 3.73Å; I21-L35 HydrophobicContact CG2-CD2 3.92Å; L35-I43 HydrophobicContact CD2-CB 4.38Å; L35-I43 HydrophobicContact CD2-CD1 4.18Å; L35-I43 HydrophobicContact CG-CB 4.32Å; L35-I43 HydrophobicContact CG-CD1 4.11Å; L35-I43 PolarHBondContact O-N 2.89Å; L35-Y44 PolarHBondContact N-O 3.47Å; L35-Y44 PolarHBondContact O-N 3.46Å; L35-L66 HydrophobicContact CB-CD2 3.82Å; L35-V68 HydrophobicContact CD2-CB 4.01Å; L35-V68 HydrophobicContact CD2-CG1 4.44Å; L35-V68 HydrophobicContact CD2-CG2 3.85Å; L35-F82 CarbonylContact C-O 3.29Å; L35-F82 WeakPolarHBondContact CA-O 3.31Å
36L98.5Very high94.6Very high9 Ų961.2 Ų61.25%0.04731%0.305CS..EExtended strand (participates in β ladder)trans-117.3145.7179.8-57159.9000110.6Q34 Q41 Y81 F82 Q84Q34-L36 HydrophobicContact CG-CD2 4.38Å; Q34-L36 HydrophobicContact CG-CG 4.44Å; L36-Q41 CarbonylContact C-O 3.54Å; L36-Q41 VanDerWaalsContact CA-O 3.26Å; L36-Q41 WeakPolarHBondContact CA-O 3.47Å; L36-Y81 CarbonylContact O-C 3.58Å; L36-Y81 WeakPolarHBondContact O-CA 3.35Å; L36-F82 HydrophobicContact CB-CB 4.17Å; L36-F82 HydrophobicContact CD1-CB 4.17Å; L36-F82 PolarHBondContact N-O 3.34Å; L36-F82 PolarHBondContact O-N 2.92Å; L36-Q84 VanDerWaalsContact CD1-CD 3.43Å; L36-Q84 HydrophobicContact CD1-CG 3.95Å
37N97.9Very high94.8Very high15 Ų1560.2 Ų60.28%0.0830%0.299CS..  trans-77.8176.1172.178.4-2000111.7N39 R40 Q41 I43 Y81N37-N39 PolarHBondContact O-N 3.44Å; N37-N39 VanDerWaalsContact O-N 3.13Å; N37-N39 WeakPolarHBondContact OD1-CA 3.49Å; N37-N39 PolarHBondContact OD1-N 2.96Å; N37-R40 WeakPolarHBondContact O-CA 3.39Å; N37-R40 PolarHBondContact O-N 3.48Å; N37-R40 PolarHBondContact OD1-N 3.2Å; N37-Q41 PolarHBondContact N-O 2.91Å; N37-Q41 PolarHBondContact ND2-OE1 2.91Å; N37-Q41 WeakPolarHBondContact OD1-CB 3.24Å; N37-Q41 PolarHBondContact OD1-N 3.33Å; N37-I43 HydrophobicContact CB-CD1 3.78Å; N37-I43 HydrophobicContact CB-CG1 3.88Å; N37-Y81 HydrophobicContact CB-CD1 4.48Å; N37-Y81 HydrophobicContact CB-CE1 4.23Å
38P97.9Very high95.1Very high47 Ų4759.2 Ų59.231%0.30530%0.295SS..THydrogen-bonded Turntrans-56.5-28.1177.9-28.636.9000115R40 R80 Y81P38-R40 PolarHBondContact O-N 3.39Å; P38-R80 WeakPolarHBondContact CA-O 3.08Å; P38-Y81 HydrophobicContact CG-CD2 4.17Å; P38-Y81 HydrophobicContact CG-CE2 3.8Å
39N96.8Very high95.7Very high130 Ų13061.3 Ų61.370%0.69530%0.296SS*.THydrogen-bonded Turntrans-85.812.7175.5-63.2-44.4000113.3N37 Q41N37-N39 PolarHBondContact O-N 3.44Å; N37-N39 VanDerWaalsContact O-N 3.13Å; N37-N39 WeakPolarHBondContact OD1-CA 3.49Å; N37-N39 PolarHBondContact OD1-N 2.96Å; N39-Q41 HydrophobicContact CB-CG 4.34Å; N39-Q41 PolarHBondContact O-N 3.3Å
40R97Very high96.2Very high128 Ų12859.4 Ų59.448%0.48329%0.289SS..  trans56.628.8-176.1-64.2-170.7168.5-91.5-0.2114.6N37 P38 F82 E92N37-R40 WeakPolarHBondContact O-CA 3.39Å; N37-R40 PolarHBondContact O-N 3.48Å; N37-R40 PolarHBondContact OD1-N 3.2Å; P38-R40 PolarHBondContact O-N 3.39Å; R40-F82 HydrophobicContact CG-CD2 4.5Å; R40-F82 HydrophobicContact CG-CE2 4.44Å; R40-E92 IonicContact CZ-OE2 2.96Å; R40-E92 IonicContact NH1-OE1 2.66Å; R40-E92 IonicContact NH1-OE2 3.96Å; R40-E92 PolarHBondContact NH1-OE2 3.15Å; R40-E92 IonicContact NH2-OE1 2.68Å; R40-E92 PolarHBondContact NH2-OE1 2.95Å; R40-E92 IonicContact NH2-OE2 3.37Å
41Q97.7Very high96.7Very high102 Ų10255.2 Ų55.248%0.47727%0.267SS..  trans-87.8139.4170.2-57.2172.6-50.400110.2L36 N37 N39 I43 L51L36-Q41 CarbonylContact C-O 3.54Å; L36-Q41 VanDerWaalsContact CA-O 3.26Å; L36-Q41 WeakPolarHBondContact CA-O 3.47Å; N37-Q41 PolarHBondContact N-O 2.91Å; N37-Q41 PolarHBondContact ND2-OE1 2.91Å; N37-Q41 WeakPolarHBondContact OD1-CB 3.24Å; N37-Q41 PolarHBondContact OD1-N 3.33Å; N39-Q41 HydrophobicContact CB-CG 4.34Å; N39-Q41 PolarHBondContact O-N 3.3Å; Q41-I43 PolarHBondContact O-N 3.3Å; Q41-L51 HydrophobicContact CB-CD1 4.46Å
42T98.2Very high96.8Very high40 Ų4064 Ų6425%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-69.4111.5-179.7-50.50000112Q34 F45 P50 L51Q34-T42 HydrophobicContact CG-CG2 3.87Å; Q34-T42 PolarHBondContact NE2-OG1 2.96Å; T42-F45 HydrophobicContact CG2-CB 4.03Å; T42-P50 HydrophobicContact CG2-CG 3.84Å; T42-L51 WeakPolarHBondContact O-CB 3.26Å; T42-L51 PolarHBondContact O-N 3.03Å
43I98.3Very high96.9Very high0 Ų064.7 Ų64.70%030%0.304CS..EExtended strand (participates in β ladder)trans-75.6-59.7170-53176.2000108.3L35 N37 Q41 R49 P50 L51 F56 Y81L35-I43 HydrophobicContact CD2-CB 4.38Å; L35-I43 HydrophobicContact CD2-CD1 4.18Å; L35-I43 HydrophobicContact CG-CB 4.32Å; L35-I43 HydrophobicContact CG-CD1 4.11Å; L35-I43 PolarHBondContact O-N 2.89Å; N37-I43 HydrophobicContact CB-CD1 3.78Å; N37-I43 HydrophobicContact CB-CG1 3.88Å; Q41-I43 PolarHBondContact O-N 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.46Å; I43-R49 VanDerWaalsContact O-CG 3.25Å; I43-R49 WeakPolarHBondContact O-CG 3.41Å; I43-P50 WeakPolarHBondContact O-CD 3.32Å; I43-L51 HydrophobicContact CG1-CD2 4.03Å; I43-F56 HydrophobicContact CD1-CD1 4.09Å; I43-F56 HydrophobicContact CD1-CE1 3.64Å; I43-F56 HydrophobicContact CD1-CE2 4.48Å; I43-F56 HydrophobicContact CD1-CZ 3.86Å; I43-F56 HydrophobicContact CG2-CB 3.72Å; I43-F56 HydrophobicContact CG2-CD1 3.66Å; I43-F56 HydrophobicContact CG2-CD2 4.08Å; I43-F56 HydrophobicContact CG2-CE1 4.27Å; I43-F56 HydrophobicContact CG2-CG 3.54Å; I43-Y81 HydrophobicContact CD1-CD1 3.6Å; I43-Y81 HydrophobicContact CD1-CE1 3.72Å
44Y98.3Very high96.9Very high9 Ų968.6 Ų68.64%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-131140.3177.5-81.3-89.7000110.8Q34 L35 F48 R49 F56 L58 V68Q34-Y44 WeakPolarHBondContact CA-O 3.36Å; Q34-Y44 WeakPolarHBondContact CG-O 3.45Å; L35-Y44 PolarHBondContact N-O 3.47Å; L35-Y44 PolarHBondContact O-N 3.46Å; Y44-F48 CarbonylContact C-O 3.57Å; Y44-F48 VanDerWaalsContact CA-O 3.3Å; Y44-F48 WeakPolarHBondContact CA-O 3.19Å; Y44-F48 WeakPolarHBondContact CD1-O 3.42Å; Y44-R49 HydrophobicContact CD1-CB 3.97Å; Y44-R49 HydrophobicContact CD2-CG 4.39Å; Y44-R49 HydrophobicContact CE1-CB 3.53Å; Y44-R49 HydrophobicContact CE1-CG 4.13Å; Y44-R49 HydrophobicContact CE2-CB 4.28Å; Y44-R49 HydrophobicContact CE2-CG 3.93Å; Y44-R49 WeakPolarHBondContact OH-CD 3.32Å; Y44-F56 HydrophobicContact CE2-CB 4.19Å; Y44-F56 PolarHBondContact OH-O 3.33Å; Y44-L58 HydrophobicContact CD1-CD1 4.14Å; Y44-L58 HydrophobicContact CE1-CB 3.73Å; Y44-L58 HydrophobicContact CE1-CD1 4.06Å; Y44-L58 HydrophobicContact CE1-CD2 4.48Å; Y44-L58 HydrophobicContact CE1-CG 4.31Å; Y44-L58 PolarHBondContact OH-N 3.35Å; Y44-V68 HydrophobicContact CD2-CB 4.34Å; Y44-V68 HydrophobicContact CD2-CG1 3.85Å; Y44-V68 HydrophobicContact CD2-CG2 3.47Å; Y44-V68 VanDerWaalsContact CD2-CG2 3.47Å; Y44-V68 HydrophobicContact CE2-CB 4.37Å; Y44-V68 HydrophobicContact CE2-CG1 3.55Å; Y44-V68 HydrophobicContact CE2-CG2 3.82Å; Y44-V68 HydrophobicContact CG-CG2 4.1Å
45F96.9Very high96.9Very high80 Ų8070.6 Ų70.635%0.35134%0.339SS..EExtended strand (participates in β ladder)trans-124.2108.7166.3-177.9-90.4000106.4V32 Q34 T42 D47 F48 Y86V32-F45 HydrophobicContact CG1-CD1 4.43Å; V32-F45 HydrophobicContact CG1-CD2 4.19Å; V32-F45 HydrophobicContact CG1-CE1 3.95Å; V32-F45 HydrophobicContact CG1-CE2 3.69Å; V32-F45 HydrophobicContact CG1-CZ 3.56Å; Q34-F45 HydrophobicContact CB-CD2 4.07Å; Q34-F45 HydrophobicContact CG-CD2 4.02Å; T42-F45 HydrophobicContact CG2-CB 4.03Å; F45-D47 PolarHBondContact O-N 3.46Å; F45-F48 PolarHBondContact N-O 3.01Å; F45-F48 PolarHBondContact O-N 2.92Å; F45-F48 VanDerWaalsContact O-N 3.15Å; F45-Y86 AromaticContact CE2-CE2 3.95Å; F45-Y86 HydrophobicContact CE2-CE2 3.95Å
46R94.2Very high96.9Very high108 Ų10870.8 Ų70.841%0.40834%0.34SS..THydrogen-bonded Turntrans57.1-125.9-162.6-52.6172.664.1101.32.4110.1V32 I33 F61 L66V32-R46 HydrophobicContact CG1-CG 3.67Å; V32-R46 HydrophobicContact CG2-CG 4.47Å; I33-R46 PolarHBondContact O-N 3.32Å; R46-F61 HydrophobicContact CB-CE1 4.02Å; R46-F61 HydrophobicContact CB-CE2 3.97Å; R46-F61 HydrophobicContact CB-CZ 3.54Å; R46-F61 HydrophobicContact CG-CZ 4.05Å; R46-L66 WeakPolarHBondContact O-CD1 3.38Å
47D94.6Very high96.9Very high97 Ų9775 Ų7552%0.51936%0.359SS..THydrogen-bonded Turntrans-91.7-6.2176.757.6-40.1000114F45 L58 F61F45-D47 PolarHBondContact O-N 3.46Å; D47-L58 HydrophobicContact CB-CD2 3.87Å; D47-F61 HydrophobicContact CB-CB 4.42Å; D47-F61 HydrophobicContact CB-CD1 3.78Å; D47-F61 HydrophobicContact CB-CE1 4.36Å; D47-F61 HydrophobicContact CB-CG 4.17Å
48F96.6Very high96.9Very high139 Ų13977.3 Ų77.361%0.6137%0.371SS*.BIsolated β-bridgetrans-87.2135.8179.5-177.4-110000111.4Y44 F45 P50Y44-F48 CarbonylContact C-O 3.57Å; Y44-F48 VanDerWaalsContact CA-O 3.3Å; Y44-F48 WeakPolarHBondContact CA-O 3.19Å; Y44-F48 WeakPolarHBondContact CD1-O 3.42Å; F45-F48 PolarHBondContact N-O 3.01Å; F45-F48 PolarHBondContact O-N 2.92Å; F45-F48 VanDerWaalsContact O-N 3.15Å; F48-P50 HydrophobicContact CD1-CG 3.76Å; F48-P50 HydrophobicContact CE1-CB 4.23Å; F48-P50 HydrophobicContact CE1-CG 3.8Å; F48-P50 VanDerWaalsContact O-CD 3.27Å; F48-P50 WeakPolarHBondContact O-CD 3.37Å
49R96.8Very high96.9Very high91 Ų9179.4 Ų79.434%0.34338%0.379SS..  trans-106.894.7177.9-169.2-179.551.2-166.8-2.6111.7I43 Y44 L51 S54 F56I43-R49 WeakPolarHBondContact O-CA 3.46Å; I43-R49 VanDerWaalsContact O-CG 3.25Å; I43-R49 WeakPolarHBondContact O-CG 3.41Å; Y44-R49 HydrophobicContact CD1-CB 3.97Å; Y44-R49 HydrophobicContact CD2-CG 4.39Å; Y44-R49 HydrophobicContact CE1-CB 3.53Å; Y44-R49 HydrophobicContact CE1-CG 4.13Å; Y44-R49 HydrophobicContact CE2-CB 4.28Å; Y44-R49 HydrophobicContact CE2-CG 3.93Å; Y44-R49 WeakPolarHBondContact OH-CD 3.32Å; R49-L51 WeakPolarHBondContact CG-O 3.05Å; R49-S54 PolarHBondContact NH1-O 3.33Å; R49-F56 VanDerWaalsContact CD-O 3.26Å; R49-F56 WeakPolarHBondContact CD-O 3.21Å; R49-F56 PolarHBondContact NH1-O 3.13Å
50P96.8Very high96.9Very high61 Ų6176.3 Ų76.340%0.39636%0.363SS..  trans-68.1-33.2174.7-20.432.1000113.6T42 I43 F48 K52T42-P50 HydrophobicContact CG2-CG 3.84Å; I43-P50 WeakPolarHBondContact O-CD 3.32Å; F48-P50 HydrophobicContact CD1-CG 3.76Å; F48-P50 HydrophobicContact CE1-CB 4.23Å; F48-P50 HydrophobicContact CE1-CG 3.8Å; F48-P50 VanDerWaalsContact O-CD 3.27Å; F48-P50 WeakPolarHBondContact O-CD 3.37Å; P50-K52 PolarHBondContact O-N 2.91Å
51L95.9Very high96.9Very high33 Ų3373.1 Ų73.117%0.17335%0.353CS..SBendtrans-68.6131.1-179.9-168.567.7000110.6Q41 T42 I43 R49 D53 F56Q41-L51 HydrophobicContact CB-CD1 4.46Å; T42-L51 WeakPolarHBondContact O-CB 3.26Å; T42-L51 PolarHBondContact O-N 3.03Å; I43-L51 HydrophobicContact CG1-CD2 4.03Å; R49-L51 WeakPolarHBondContact CG-O 3.05Å; L51-D53 HydrophobicContact CD2-CB 4.05Å; L51-D53 HydrophobicContact CG-CB 4.13Å; L51-D53 PolarHBondContact O-N 2.97Å; L51-F56 HydrophobicContact CD2-CD2 4.04Å; L51-F56 HydrophobicContact CD2-CE2 3.99Å
52K94.8Very high96.7Very high207 Ų20770.1 Ų70.190%0.934%0.343SS*.  trans-80.11.3-178.3-66-173.7178.8-179.50114.5P50 S54P50-K52 PolarHBondContact O-N 2.91Å; K52-S54 PolarHBondContact O-N 3.04Å
53D96.1Very high96.4Very high47 Ų4770.6 Ų70.625%0.25135%0.348SS..  trans-73109174.8-173-15.4000109.9L51 R55 F56L51-D53 HydrophobicContact CD2-CB 4.05Å; L51-D53 HydrophobicContact CG-CB 4.13Å; L51-D53 PolarHBondContact O-N 2.97Å; D53-R55 PolarHBondContact O-N 2.77Å; D53-R55 VanDerWaalsContact OD1-CB 3.27Å; D53-R55 WeakPolarHBondContact OD1-CB 3.21Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.14Å; D53-R55 PolarHBondContact OD1-N 2.9Å; D53-R55 IonicContact OD1-NE 2.78Å; D53-R55 PolarHBondContact OD1-NE 2.93Å; D53-R55 IonicContact OD2-CZ 2.75Å; D53-R55 IonicContact OD2-NE 2.69Å; D53-R55 PolarHBondContact OD2-NE 3.02Å; D53-R55 VanDerWaalsContact OD2-NE 3.17Å; D53-R55 IonicContact OD2-NH2 2.65Å; D53-R55 PolarHBondContact OD2-NH2 2.85Å; D53-F56 HydrophobicContact CB-CD2 3.97Å; D53-F56 HydrophobicContact CB-CE2 4.29Å
54S96.1Very high96.2Very high84 Ų8473.3 Ų73.359%0.58737%0.366SS*.THydrogen-bonded Turntrans-69.3-14.2-176.4550000113.9R49 K52 F56R49-S54 PolarHBondContact NH1-O 3.33Å; K52-S54 PolarHBondContact O-N 3.04Å; S54-F56 PolarHBondContact O-N 3.18Å
55R98.1Very high96.1Very high55 Ų5574.3 Ų74.321%0.20837%0.371CS..THydrogen-bonded Turntrans-68.6-22.9-180-60.2-179.4-57.6138.21.9113.1D53 Q57 L70 T71 N72 D77D53-R55 PolarHBondContact O-N 2.77Å; D53-R55 VanDerWaalsContact OD1-CB 3.27Å; D53-R55 WeakPolarHBondContact OD1-CB 3.21Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.14Å; D53-R55 PolarHBondContact OD1-N 2.9Å; D53-R55 IonicContact OD1-NE 2.78Å; D53-R55 PolarHBondContact OD1-NE 2.93Å; D53-R55 IonicContact OD2-CZ 2.75Å; D53-R55 IonicContact OD2-NE 2.69Å; D53-R55 PolarHBondContact OD2-NE 3.02Å; D53-R55 VanDerWaalsContact OD2-NE 3.17Å; D53-R55 IonicContact OD2-NH2 2.65Å; D53-R55 PolarHBondContact OD2-NH2 2.85Å; R55-Q57 PolarHBondContact O-N 3.42Å; R55-L70 HydrophobicContact CB-CD1 3.7Å; R55-T71 WeakPolarHBondContact CD-O 3.35Å; R55-T71 PolarHBondContact O-N 3.08Å; R55-T71 PolarHBondContact O-OG1 3.21Å; R55-N72 PolarHBondContact NH1-O 3.44Å; R55-D77 IonicContact CZ-OD1 3.63Å; R55-D77 IonicContact CZ-OD2 3.68Å; R55-D77 VanDerWaalsContact NH1-CG 3.3Å; R55-D77 IonicContact NH1-OD1 3.46Å; R55-D77 PolarHBondContact NH1-OD1 2.97Å; R55-D77 IonicContact NH1-OD2 3.38Å; R55-D77 PolarHBondContact NH1-OD2 2.78Å; R55-D77 IonicContact NH2-OD1 2.73Å; R55-D77 PolarHBondContact NH2-OD1 3.02Å; R55-D77 IonicContact NH2-OD2 2.98Å
56F98.3Very high96.1Very high5 Ų570.5 Ų70.52%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-85.199.8177.4-71.5-79.8000112.1I21 I43 Y44 R49 L51 D53 S54 V68 S69 L70 Y81I21-F56 HydrophobicContact CD1-CE1 4.3Å; I43-F56 HydrophobicContact CD1-CD1 4.09Å; I43-F56 HydrophobicContact CD1-CE1 3.64Å; I43-F56 HydrophobicContact CD1-CE2 4.48Å; I43-F56 HydrophobicContact CD1-CZ 3.86Å; I43-F56 HydrophobicContact CG2-CB 3.72Å; I43-F56 HydrophobicContact CG2-CD1 3.66Å; I43-F56 HydrophobicContact CG2-CD2 4.08Å; I43-F56 HydrophobicContact CG2-CE1 4.27Å; I43-F56 HydrophobicContact CG2-CG 3.54Å; Y44-F56 HydrophobicContact CE2-CB 4.19Å; Y44-F56 PolarHBondContact OH-O 3.33Å; R49-F56 VanDerWaalsContact CD-O 3.26Å; R49-F56 WeakPolarHBondContact CD-O 3.21Å; R49-F56 PolarHBondContact NH1-O 3.13Å; L51-F56 HydrophobicContact CD2-CD2 4.04Å; L51-F56 HydrophobicContact CD2-CE2 3.99Å; D53-F56 HydrophobicContact CB-CD2 3.97Å; D53-F56 HydrophobicContact CB-CE2 4.29Å; S54-F56 PolarHBondContact O-N 3.18Å; F56-V68 HydrophobicContact CB-CG1 4.12Å; F56-V68 HydrophobicContact CD1-CG1 4.05Å; F56-S69 CarbonylContact C-O 3.59Å; F56-S69 VanDerWaalsContact CA-O 3.24Å; F56-S69 WeakPolarHBondContact CA-O 3.43Å; F56-L70 HydrophobicContact CD1-CB 4.08Å; F56-L70 HydrophobicContact CD1-CD1 3.94Å; F56-L70 HydrophobicContact CD1-CG 4.47Å; F56-L70 HydrophobicContact CD2-CD1 4.06Å; F56-L70 HydrophobicContact CE1-CB 3.91Å; F56-L70 HydrophobicContact CE1-CD1 3.68Å; F56-L70 HydrophobicContact CE1-CD2 3.88Å; F56-L70 HydrophobicContact CE1-CG 4.03Å; F56-L70 HydrophobicContact CE2-CD1 3.81Å; F56-L70 HydrophobicContact CG-CD1 4.12Å; F56-L70 HydrophobicContact CZ-CD1 3.61Å; F56-L70 HydrophobicContact CZ-CD2 3.91Å; F56-L70 HydrophobicContact CZ-CG 4.25Å; F56-Y81 AromaticContact CE1-CE1 3.89Å; F56-Y81 HydrophobicContact CE1-CE1 3.89Å; F56-Y81 AromaticContact CZ-CE1 3.87Å; F56-Y81 HydrophobicContact CZ-CE1 3.87Å
57Q97.8Very high96.3Very high98 Ų9868.8 Ų68.846%0.45835%0.35SS..EExtended strand (participates in β ladder)trans-104.9137.5-178.4-52.5179.618.200111.5R55 L59 V68 S69R55-Q57 PolarHBondContact O-N 3.42Å; Q57-L59 PolarHBondContact O-N 3.11Å; Q57-V68 CarbonylContact O-C 3.53Å; Q57-V68 WeakPolarHBondContact O-CA 3.36Å; Q57-V68 WeakPolarHBondContact O-CG1 3.42Å; Q57-S69 PolarHBondContact N-O 3.1Å; Q57-S69 PolarHBondContact O-N 3Å; Q57-S69 PolarHBondContact O-OG 3.2Å
58L97.9Very high96.5Very high62 Ų6264.1 Ų64.133%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-71.6122.9176.4-172.565.7000109Y44 D47 F61 L66 V68Y44-L58 HydrophobicContact CD1-CD1 4.14Å; Y44-L58 HydrophobicContact CE1-CB 3.73Å; Y44-L58 HydrophobicContact CE1-CD1 4.06Å; Y44-L58 HydrophobicContact CE1-CD2 4.48Å; Y44-L58 HydrophobicContact CE1-CG 4.31Å; Y44-L58 PolarHBondContact OH-N 3.35Å; D47-L58 HydrophobicContact CB-CD2 3.87Å; L58-F61 HydrophobicContact CD1-CB 4.26Å; L58-F61 HydrophobicContact CD2-CB 4.18Å; L58-L66 HydrophobicContact CD1-CD1 3.64Å; L58-V68 HydrophobicContact CD1-CG2 4.3Å
59L97.8Very high96.6Very high91 Ų9157.9 Ų57.948%0.47630%0.299SS..EExtended strand (participates in β ladder)trans-97.2-44.4175.6-64.5-177.2000111.8T20 Q57 K67T20-L59 HydrophobicContact CG2-CD1 3.92Å; Q57-L59 PolarHBondContact O-N 3.11Å; L59-K67 HydrophobicContact CB-CB 4.38Å; L59-K67 HydrophobicContact CB-CG 4.2Å; L59-K67 WeakPolarHBondContact CB-O 3.41Å; L59-K67 HydrophobicContact CD1-CG 4.24Å; L59-K67 PolarHBondContact N-O 3.1Å
60N96.6Very high96.7Very high66 Ų6653.5 Ų53.535%0.35328%0.283SS..EExtended strand (participates in β ladder)trans-149.9142.5179.9-17335.3000110.2E65 K67N60-E65 PolarHBondContact ND2-OE2 3.07Å; N60-K67 HydrophobicContact CB-CB 3.9Å; N60-K67 PolarHBondContact N-O 2.86Å; N60-K67 VanDerWaalsContact N-O 3.13Å; N60-K67 PolarHBondContact O-N 2.93Å
61F96.3Very high96.7Very high61 Ų6152.5 Ų52.527%0.26828%0.275SS..EExtended strand (participates in β ladder)trans-140.5128.1169175.4-113.3000110R46 D47 L58 E65 L66R46-F61 HydrophobicContact CB-CE1 4.02Å; R46-F61 HydrophobicContact CB-CE2 3.97Å; R46-F61 HydrophobicContact CB-CZ 3.54Å; R46-F61 HydrophobicContact CG-CZ 4.05Å; D47-F61 HydrophobicContact CB-CB 4.42Å; D47-F61 HydrophobicContact CB-CD1 3.78Å; D47-F61 HydrophobicContact CB-CE1 4.36Å; D47-F61 HydrophobicContact CB-CG 4.17Å; L58-F61 HydrophobicContact CD1-CB 4.26Å; L58-F61 HydrophobicContact CD2-CB 4.18Å; F61-E65 CarbonylContact C-O 3.59Å; F61-E65 WeakPolarHBondContact CA-O 3.2Å; F61-L66 HydrophobicContact CD2-CD1 4.06Å
62S94.8Very high96.8Very high38 Ų3856.1 Ų56.127%0.26630%0.295SS..EExtended strand (participates in β ladder)trans-149.5176175.265.20000109.5S64 E65S62-S64 PolarHBondContact O-N 3.35Å; S62-S64 PolarHBondContact OG-N 3.24Å; S62-S64 PolarHBondContact OG-OG 3.14Å; S62-E65 PolarHBondContact N-O 2.85Å; S62-E65 PolarHBondContact O-N 3.34Å; S62-E65 PolarHBondContact OG-N 2.82Å; S62-E65 VanDerWaalsContact OG-N 3.09Å
63S90.7Very high97Very high51 Ų5146.3 Ų46.336%0.35725%0.252SS..THydrogen-bonded Turntrans-64.2-20.4175.161.60000113.2S28 D30S28-S63 VanDerWaalsContact CB-O 3.31Å; S28-S63 WeakPolarHBondContact CB-O 3.47Å; S28-S63 VanDerWaalsContact OG-CB 3.27Å; S28-S63 WeakPolarHBondContact OG-CB 3.44Å; S28-S63 PolarHBondContact OG-O 2.88Å; D30-S63 WeakPolarHBondContact OD1-CB 3.38Å
64S94.1Very high97Very high56 Ų5645.8 Ų45.839%0.39225%0.252SS..THydrogen-bonded Turntrans-107.4-7.9179.856.70000114.9V25 S62V25-S64 PolarHBondContact N-O 2.73Å; S62-S64 PolarHBondContact O-N 3.35Å; S62-S64 PolarHBondContact OG-N 3.24Å; S62-S64 PolarHBondContact OG-OG 3.14Å
65E96Very high96.9Very high30 Ų3043.3 Ų43.314%0.1423%0.232CC..EExtended strand (participates in β ladder)trans-153.3134.3-175.1-170.8175.8-128.300112.8S22 C23 Q24 N60 F61 S62 K67S22-E65 PolarHBondContact OG-OE1 3.46Å; C23-E65 VanDerWaalsContact O-CA 3.3Å; C23-E65 WeakPolarHBondContact O-CA 3.43Å; Q24-E65 HydrophobicContact CG-CG 4.18Å; Q24-E65 PolarHBondContact NE2-OE1 3.01Å; N60-E65 PolarHBondContact ND2-OE2 3.07Å; F61-E65 CarbonylContact C-O 3.59Å; F61-E65 WeakPolarHBondContact CA-O 3.2Å; S62-E65 PolarHBondContact N-O 2.85Å; S62-E65 PolarHBondContact O-N 3.34Å; S62-E65 PolarHBondContact OG-N 2.82Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; E65-K67 HydrophobicContact CG-CB 4.27Å
66L97.9Very high96.8Very high0 Ų045.8 Ų45.80%026%0.258CS..EExtended strand (participates in β ladder)trans-117113.8162.8173.961.7000108.4C23 I33 L35 R46 L58 F61 V68C23-L66 HydrophobicContact CB-CB 4.24Å; C23-L66 PolarHBondContact N-O 3.23Å; C23-L66 PolarHBondContact O-N 3.26Å; I33-L66 HydrophobicContact CB-CB 4.19Å; I33-L66 HydrophobicContact CB-CD2 4.42Å; I33-L66 HydrophobicContact CD1-CB 4.36Å; I33-L66 HydrophobicContact CG2-CB 3.76Å; I33-L66 HydrophobicContact CG2-CD2 3.94Å; L35-L66 HydrophobicContact CB-CD2 3.82Å; R46-L66 WeakPolarHBondContact O-CD1 3.38Å; L58-L66 HydrophobicContact CD1-CD1 3.64Å; F61-L66 HydrophobicContact CD2-CD1 4.06Å; L66-V68 HydrophobicContact CD1-CG2 4.19Å; L66-V68 HydrophobicContact CG-CG2 4.32Å
67K98.3Very high96.8Very high72 Ų7246 Ų4631%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-122.3124.7-175.8-165.9174.4-178.5175.20111.1T20 I21 L59 N60 E65T20-K67 HydrophobicContact CG2-CD 4.25Å; T20-K67 HydrophobicContact CG2-CG 3.86Å; I21-K67 CarbonylContact O-C 3.59Å; I21-K67 WeakPolarHBondContact O-CA 3.28Å; L59-K67 HydrophobicContact CB-CB 4.38Å; L59-K67 HydrophobicContact CB-CG 4.2Å; L59-K67 WeakPolarHBondContact CB-O 3.41Å; L59-K67 HydrophobicContact CD1-CG 4.24Å; L59-K67 PolarHBondContact N-O 3.1Å; N60-K67 HydrophobicContact CB-CB 3.9Å; N60-K67 PolarHBondContact N-O 2.86Å; N60-K67 VanDerWaalsContact N-O 3.13Å; N60-K67 PolarHBondContact O-N 2.93Å; E65-K67 HydrophobicContact CG-CB 4.27Å
68V98.5Very high96.7Very high0 Ų044 Ų440%025%0.25CC..EExtended strand (participates in β ladder)trans-132.7133.3-171.6-1800000109.5I21 L35 Y44 F56 Q57 L58 L66I21-V68 PolarHBondContact N-O 3.11Å; I21-V68 PolarHBondContact O-N 2.8Å; L35-V68 HydrophobicContact CD2-CB 4.01Å; L35-V68 HydrophobicContact CD2-CG1 4.44Å; L35-V68 HydrophobicContact CD2-CG2 3.85Å; Y44-V68 HydrophobicContact CD2-CB 4.34Å; Y44-V68 HydrophobicContact CD2-CG1 3.85Å; Y44-V68 HydrophobicContact CD2-CG2 3.47Å; Y44-V68 VanDerWaalsContact CD2-CG2 3.47Å; Y44-V68 HydrophobicContact CE2-CB 4.37Å; Y44-V68 HydrophobicContact CE2-CG1 3.55Å; Y44-V68 HydrophobicContact CE2-CG2 3.82Å; Y44-V68 HydrophobicContact CG-CG2 4.1Å; F56-V68 HydrophobicContact CB-CG1 4.12Å; F56-V68 HydrophobicContact CD1-CG1 4.05Å; Q57-V68 CarbonylContact O-C 3.53Å; Q57-V68 WeakPolarHBondContact O-CA 3.36Å; Q57-V68 WeakPolarHBondContact O-CG1 3.42Å; L58-V68 HydrophobicContact CD1-CG2 4.3Å; L66-V68 HydrophobicContact CD1-CG2 4.19Å; L66-V68 HydrophobicContact CG-CG2 4.32Å
69S98.4Very high96.7Very high7 Ų742.1 Ų42.15%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-93.8140.8169.3580000111.2A19 F56 Q57A19-S69 CarbonylContact O-C 3.59Å; A19-S69 VanDerWaalsContact O-CA 3.28Å; A19-S69 WeakPolarHBondContact O-CA 3.28Å; F56-S69 CarbonylContact C-O 3.59Å; F56-S69 VanDerWaalsContact CA-O 3.24Å; F56-S69 WeakPolarHBondContact CA-O 3.43Å; Q57-S69 PolarHBondContact N-O 3.1Å; Q57-S69 PolarHBondContact O-N 3Å; Q57-S69 PolarHBondContact O-OG 3.2Å
70L98.6Very high96.7Very high0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-110.6112166.9174.758.4000108.5V18 A19 R55 F56 V73 D77 I97V18-L70 CarbonylContact C-O 3.44Å; V18-L70 WeakPolarHBondContact CA-O 3.39Å; A19-L70 HydrophobicContact CB-CB 4.38Å; A19-L70 PolarHBondContact N-O 2.97Å; A19-L70 PolarHBondContact O-N 2.93Å; R55-L70 HydrophobicContact CB-CD1 3.7Å; F56-L70 HydrophobicContact CD1-CB 4.08Å; F56-L70 HydrophobicContact CD1-CD1 3.94Å; F56-L70 HydrophobicContact CD1-CG 4.47Å; F56-L70 HydrophobicContact CD2-CD1 4.06Å; F56-L70 HydrophobicContact CE1-CB 3.91Å; F56-L70 HydrophobicContact CE1-CD1 3.68Å; F56-L70 HydrophobicContact CE1-CD2 3.88Å; F56-L70 HydrophobicContact CE1-CG 4.03Å; F56-L70 HydrophobicContact CE2-CD1 3.81Å; F56-L70 HydrophobicContact CG-CD1 4.12Å; F56-L70 HydrophobicContact CZ-CD1 3.61Å; F56-L70 HydrophobicContact CZ-CD2 3.91Å; F56-L70 HydrophobicContact CZ-CG 4.25Å; L70-V73 HydrophobicContact CB-CG2 4.45Å; L70-V73 HydrophobicContact CD2-CG2 4.18Å; L70-V73 HydrophobicContact CG-CG2 3.98Å; L70-V73 WeakPolarHBondContact O-CG2 3.08Å; L70-D77 HydrophobicContact CD2-CB 3.88Å; L70-I97 HydrophobicContact CD2-CD1 4.36Å
71T98.4Very high96.8Very high39 Ų3941.2 Ų41.224%0.23923%0.231CC..  trans-89.5151.6-179.159.50000112.7V18 R55V18-T71 HydrophobicContact CG1-CG2 4.26Å; V18-T71 HydrophobicContact CG2-CG2 4.14Å; R55-T71 WeakPolarHBondContact CD-O 3.35Å; R55-T71 PolarHBondContact O-N 3.08Å; R55-T71 PolarHBondContact O-OG1 3.21Å
72N97.7Very high96.9Very high109 Ų10939.5 Ų39.558%0.58322%0.223SC*.SBendtrans54.258.1178-17147000110.8E17 R55E17-N72 PolarHBondContact O-N 2.57Å; R55-N72 PolarHBondContact NH1-O 3.44Å
73V98.2Very high97.1Very high1 Ų137.7 Ų37.71%0.00621%0.211CC..  trans-66.7134.8-177.9177.10000110.1V13 G16 E17 A19 L70 D77 V99V13-V73 HydrophobicContact CG1-CB 4.19Å; V13-V73 HydrophobicContact CG1-CG1 3.69Å; V13-V73 HydrophobicContact CG1-CG2 4.22Å; V13-V73 HydrophobicContact CG2-CG2 4.28Å; G16-V73 PolarHBondContact N-O 3.48Å; E17-V73 WeakPolarHBondContact O-CG2 3.39Å; E17-V73 PolarHBondContact O-N 3.35Å; E17-V73 VanDerWaalsContact O-N 3.09Å; A19-V73 HydrophobicContact CB-CG2 3.82Å; L70-V73 HydrophobicContact CB-CG2 4.45Å; L70-V73 HydrophobicContact CD2-CG2 4.18Å; L70-V73 HydrophobicContact CG-CG2 3.98Å; L70-V73 WeakPolarHBondContact O-CG2 3.08Å; V73-D77 WeakPolarHBondContact CA-OD2 3.31Å; V73-D77 HydrophobicContact CG1-CB 4.21Å; V73-V99 HydrophobicContact CG1-CG1 4.44Å; V73-V99 HydrophobicContact CG1-CG2 3.46Å; V73-V99 VanDerWaalsContact CG1-CG2 3.46Å
74S96.3Very high97.4Very high37 Ų3737.4 Ų37.426%0.25920%0.204SC..  trans-120.4168171.567.40000111.3S76 D77S74-S76 PolarHBondContact O-N 2.75Å; S74-S76 VanDerWaalsContact O-N 3.12Å; S74-S76 PolarHBondContact OG-OG 3.07Å; S74-D77 PolarHBondContact N-OD2 2.83Å; S74-D77 WeakPolarHBondContact O-CB 3.35Å; S74-D77 PolarHBondContact O-N 3.29Å; S74-D77 PolarHBondContact OG-OD2 2.68Å
75I94.9Very high97.5Very high32 Ų3234.8 Ų34.816%0.16419%0.185CC..G310 helixtrans-53.3-34.4176.8-54177.7000111.6D77 E78 V101 D156 M157I75-D77 PolarHBondContact O-N 3.14Å; I75-E78 WeakPolarHBondContact O-CB 3.41Å; I75-E78 WeakPolarHBondContact O-CG 3.3Å; I75-E78 PolarHBondContact O-N 3.01Å; I75-E78 VanDerWaalsContact O-N 3.17Å; I75-V101 HydrophobicContact CD1-CG2 3.97Å; I75-V101 HydrophobicContact CG1-CG2 4.01Å; I75-D156 HydrophobicContact CG2-CB 4.25Å; I75-M157 HydrophobicContact CD1-CG 4.02Å; I75-M157 HydrophobicContact CD1-SD 4.04Å
76S95.6Very high97.4Very high106 Ų10638.7 Ų38.774%0.74120%0.2SC*.G310 helixtrans-68.1-12.5179.259.60000114.6S74 E78S74-S76 PolarHBondContact O-N 2.75Å; S74-S76 VanDerWaalsContact O-N 3.12Å; S74-S76 PolarHBondContact OG-OG 3.07Å; S76-E78 VanDerWaalsContact C-N 3.33Å
77D97.2Very high97.1Very high11 Ų1140 Ų406%0.05921%0.208CC..G310 helixtrans-86.1-5.4176.1-61.1-46000113.2R55 L70 V73 S74 I75 Y81R55-D77 IonicContact CZ-OD1 3.63Å; R55-D77 IonicContact CZ-OD2 3.68Å; R55-D77 VanDerWaalsContact NH1-CG 3.3Å; R55-D77 IonicContact NH1-OD1 3.46Å; R55-D77 PolarHBondContact NH1-OD1 2.97Å; R55-D77 IonicContact NH1-OD2 3.38Å; R55-D77 PolarHBondContact NH1-OD2 2.78Å; R55-D77 IonicContact NH2-OD1 2.73Å; R55-D77 PolarHBondContact NH2-OD1 3.02Å; R55-D77 IonicContact NH2-OD2 2.98Å; L70-D77 HydrophobicContact CD2-CB 3.88Å; V73-D77 WeakPolarHBondContact CA-OD2 3.31Å; V73-D77 HydrophobicContact CG1-CB 4.21Å; S74-D77 PolarHBondContact N-OD2 2.83Å; S74-D77 WeakPolarHBondContact O-CB 3.35Å; S74-D77 PolarHBondContact O-N 3.29Å; S74-D77 PolarHBondContact OG-OD2 2.68Å; I75-D77 PolarHBondContact O-N 3.14Å; D77-Y81 VanDerWaalsContact O-CE2 3.26Å; D77-Y81 WeakPolarHBondContact O-CE2 3.42Å; D77-Y81 PolarHBondContact O-OH 2.9Å
78E97.1Very high96.7Very high54 Ų5444.5 Ų44.525%0.25224%0.235SC..  trans-61153.4178.1-77.3-170.6161.200112.7I75 S76 I97 V99 K131I75-E78 WeakPolarHBondContact O-CB 3.41Å; I75-E78 WeakPolarHBondContact O-CG 3.3Å; I75-E78 PolarHBondContact O-N 3.01Å; I75-E78 VanDerWaalsContact O-N 3.17Å; S76-E78 VanDerWaalsContact C-N 3.33Å; E78-I97 WeakPolarHBondContact CA-O 3.31Å; E78-V99 HydrophobicContact CG-CB 3.84Å; E78-V99 HydrophobicContact CG-CG2 3.57Å; E78-V99 PolarHBondContact OE1-N 2.75Å; E78-K131 WeakPolarHBondContact OE1-CE 3.45Å; E78-K131 IonicContact OE1-NZ 3.71Å; E78-K131 PolarHBondContact OE1-NZ 2.7Å; E78-K131 IonicContact OE2-NZ 2.97Å; E78-K131 PolarHBondContact OE2-NZ 3.11Å
79G97.5Very high96.3Very high23 Ų2348 Ų4824%0.23726%0.258CS..EExtended strand (participates in β ladder)trans128.2-168.7171.900000112.9Y81 T96 I97G79-Y81 WeakPolarHBondContact O-CD2 3.16Å; G79-T96 WeakPolarHBondContact O-CA 3.46Å; G79-I97 PolarHBondContact N-O 3.47Å; G79-I97 PolarHBondContact O-N 3.46Å
80R98.5Very high96Very high133 Ų13352.2 Ų52.250%0.50229%0.285SS..EExtended strand (participates in β ladder)trans-89119.7-174.5-65.2-178.2179.5175.7-0.2110.4P38 F82 Y94 T95P38-R80 WeakPolarHBondContact CA-O 3.08Å; R80-F82 HydrophobicContact CB-CE1 4.24Å; R80-F82 HydrophobicContact CB-CE2 4.05Å; R80-F82 HydrophobicContact CB-CZ 3.71Å; R80-F82 WeakPolarHBondContact O-CD2 3.39Å; R80-F82 WeakPolarHBondContact O-CE2 3.43Å; R80-Y94 HydrophobicContact CB-CD2 4.31Å; R80-Y94 HydrophobicContact CG-CD2 3.97Å; R80-Y94 HydrophobicContact CG-CE2 4.33Å; R80-T95 CarbonylContact C-O 3.54Å; R80-T95 WeakPolarHBondContact CA-O 3.26Å
81Y98.5Very high95.8Very high5 Ų554.1 Ų54.12%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-99130.5170.8-69.3-106.3000108.3I21 L36 N37 P38 I43 F56 D77 G79 Y94 T95 I97I21-Y81 HydrophobicContact CD1-CD1 3.68Å; I21-Y81 HydrophobicContact CD1-CE1 4.05Å; I21-Y81 HydrophobicContact CD1-CG 4.02Å; L36-Y81 CarbonylContact O-C 3.58Å; L36-Y81 WeakPolarHBondContact O-CA 3.35Å; N37-Y81 HydrophobicContact CB-CD1 4.48Å; N37-Y81 HydrophobicContact CB-CE1 4.23Å; P38-Y81 HydrophobicContact CG-CD2 4.17Å; P38-Y81 HydrophobicContact CG-CE2 3.8Å; I43-Y81 HydrophobicContact CD1-CD1 3.6Å; I43-Y81 HydrophobicContact CD1-CE1 3.72Å; F56-Y81 AromaticContact CE1-CE1 3.89Å; F56-Y81 HydrophobicContact CE1-CE1 3.89Å; F56-Y81 AromaticContact CZ-CE1 3.87Å; F56-Y81 HydrophobicContact CZ-CE1 3.87Å; D77-Y81 VanDerWaalsContact O-CE2 3.26Å; D77-Y81 WeakPolarHBondContact O-CE2 3.42Å; D77-Y81 PolarHBondContact O-OH 2.9Å; G79-Y81 WeakPolarHBondContact O-CD2 3.16Å; Y81-Y94 CarbonylContact O-C 3.05Å; Y81-Y94 WeakPolarHBondContact O-CA 3.3Å; Y81-Y94 WeakPolarHBondContact O-CB 2.93Å; Y81-T95 PolarHBondContact N-O 2.93Å; Y81-T95 PolarHBondContact O-N 3.21Å; Y81-I97 HydrophobicContact CD2-CB 4.28Å; Y81-I97 HydrophobicContact CD2-CD1 3.79Å; Y81-I97 HydrophobicContact CD2-CG1 3.7Å; Y81-I97 HydrophobicContact CE1-CD1 4.47Å; Y81-I97 HydrophobicContact CE2-CB 3.93Å; Y81-I97 HydrophobicContact CE2-CD1 3.45Å; Y81-I97 VanDerWaalsContact CE2-CD1 3.45Å; Y81-I97 HydrophobicContact CE2-CG1 3.65Å; Y81-I97 HydrophobicContact CG-CD1 4.45Å
82F98.5Very high95.7Very high26 Ų2655.9 Ų55.911%0.11430%0.3CS..EExtended strand (participates in β ladder)trans-105.7124.8-170-54.3-94.2000110.2L35 L36 R40 R80 E92L35-F82 CarbonylContact C-O 3.29Å; L35-F82 WeakPolarHBondContact CA-O 3.31Å; L36-F82 HydrophobicContact CB-CB 4.17Å; L36-F82 HydrophobicContact CD1-CB 4.17Å; L36-F82 PolarHBondContact N-O 3.34Å; L36-F82 PolarHBondContact O-N 2.92Å; R40-F82 HydrophobicContact CG-CD2 4.5Å; R40-F82 HydrophobicContact CG-CE2 4.44Å; R80-F82 HydrophobicContact CB-CE1 4.24Å; R80-F82 HydrophobicContact CB-CE2 4.05Å; R80-F82 HydrophobicContact CB-CZ 3.71Å; R80-F82 WeakPolarHBondContact O-CD2 3.39Å; R80-F82 WeakPolarHBondContact O-CE2 3.43Å; F82-E92 HydrophobicContact CD1-CG 4.44Å
83C97.8Very high95.7Very high0 Ų051.8 Ų51.80%028%0.279CS..EExtended strand (participates in β ladder)trans-92.8125.5166.4-61.90000108L6 T8 C23 Q34 E92 S93L6-C83 HydrophobicContact CD1-CB 4.3Å; L6-C83 HydrophobicContact CD2-CB 3.81Å; L6-C83 WeakPolarHBondContact CD2-O 3.39Å; L6-C83 HydrophobicContact CG-CB 4.28Å; T8-C83 HydrophobicContact CG2-CB 3.95Å; T8-C83 WeakPolarHBondContact CG2-SG 3.24Å; C23-C83 VanDerWaalsContact CA-SG 3.59Å; C23-C83 HydrophobicContact CB-CB 3.68Å; C23-C83 WeakPolarHBondContact CB-SG 3.35Å; C23-C83 WeakPolarHBondContact SG-CB 3.31Å; C23-C83 CovalentContact SG-SG 2.02Å; C23-C83 PolarHBondContact SG-SG 3.47Å; Q34-C83 CarbonylContact O-C 3.59Å; Q34-C83 WeakPolarHBondContact O-CA 3.32Å; C83-E92 WeakPolarHBondContact O-CA 3.34Å; C83-S93 PolarHBondContact N-O 2.8Å; C83-S93 PolarHBondContact O-N 3.4Å; C83-S93 VanDerWaalsContact O-O 3.06Å
84Q97Very high95.7Very high45 Ų4556.5 Ų56.521%0.2130%0.297CS..EExtended strand (participates in β ladder)trans-115.4132.8173.1-68.4-175.1-18.600109.6I33 Q34 L36 Q91 E92I33-Q84 WeakPolarHBondContact CA-O 3.35Å; Q34-Q84 HydrophobicContact CB-CB 4.44Å; Q34-Q84 PolarHBondContact N-O 3.47Å; Q34-Q84 PolarHBondContact O-N 2.92Å; L36-Q84 VanDerWaalsContact CD1-CD 3.43Å; L36-Q84 HydrophobicContact CD1-CG 3.95Å; Q84-Q91 WeakPolarHBondContact CA-O 3.44Å; Q84-E92 HydrophobicContact CG-CB 4.46Å; Q84-E92 HydrophobicContact CG-CG 4.09Å; Q84-E92 PolarHBondContact NE2-OE2 3.48Å
85L96.2Very high95.7Very high1 Ų154.7 Ų54.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-112.9119.7175-177.770.3000108.7L6 V25 V32 I33 T87 P90 Q91L6-L85 HydrophobicContact CB-CB 4.4Å; L6-L85 HydrophobicContact CB-CD2 4.47Å; L6-L85 HydrophobicContact CD1-CB 4.37Å; L6-L85 HydrophobicContact CD2-CB 3.92Å; L6-L85 HydrophobicContact CG-CB 4.47Å; V25-L85 HydrophobicContact CG1-CD2 4Å; V25-L85 HydrophobicContact CG2-CD1 3.87Å; V25-L85 HydrophobicContact CG2-CD2 4.21Å; V32-L85 WeakPolarHBondContact O-CA 3.49Å; I33-L85 HydrophobicContact CG1-CD1 3.9Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 HydrophobicContact CD2-CG2 3.92Å; L85-T87 HydrophobicContact CG-CG2 4Å; L85-T87 PolarHBondContact O-N 2.89Å; L85-P90 WeakPolarHBondContact O-CA 3.38Å; L85-Q91 HydrophobicContact CB-CB 4.33Å; L85-Q91 PolarHBondContact N-O 3.03Å; L85-Q91 PolarHBondContact O-N 2.81Å
86Y93.5Very high95.9Very high112 Ų11254.9 Ų54.944%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-8375.4-178.2-72.5-95.5000111S31 V32 Q34 F45S31-Y86 WeakPolarHBondContact CB-O 3.3Å; S31-Y86 PolarHBondContact OG-O 2.82Å; V32-Y86 HydrophobicContact CB-CD2 4.21Å; V32-Y86 HydrophobicContact CG1-CD2 4.26Å; V32-Y86 WeakPolarHBondContact O-CD2 3.32Å; V32-Y86 PolarHBondContact O-N 2.82Å; Q34-Y86 HydrophobicContact CB-CE2 3.91Å; Q34-Y86 PolarHBondContact OE1-OH 2.87Å; F45-Y86 AromaticContact CE2-CE2 3.95Å; F45-Y86 HydrophobicContact CE2-CE2 3.95Å
87T92.1Very high96Very high27 Ų2749.9 Ų49.917%0.16625%0.253CS..  trans-101.9177166.147.30000110.3S31 L85 P89 P90S31-T87 VanDerWaalsContact OG-CG2 3.3Å; S31-T87 WeakPolarHBondContact OG-CG2 3.27Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 HydrophobicContact CD2-CG2 3.92Å; L85-T87 HydrophobicContact CG-CG2 4Å; L85-T87 PolarHBondContact O-N 2.89Å; T87-P89 VanDerWaalsContact C-C 3.42Å; T87-P89 CarbonylContact C-O 3.57Å; T87-P89 VanDerWaalsContact C-O 3.29Å; T87-P89 WeakPolarHBondContact CB-O 3.38Å; T87-P89 CarbonylContact O-C 3.56Å; T87-P89 PolarHBondContact OG1-O 2.89Å; T87-P90 VanDerWaalsContact O-CA 3.31Å; T87-P90 WeakPolarHBondContact O-CA 3.42Å
88D89.4Confident96.1Very high167 Ų16752.1 Ų52.189%0.89327%0.267SS*.SBendtrans-114.1103.3168.3-173.617.1000109.6
89P91.3Very high96.1Very high73 Ų7349.5 Ų49.547%0.47426%0.255SS..SBendcis-76.1159.10.332.3-36000113.3T87T87-P89 VanDerWaalsContact C-C 3.42Å; T87-P89 CarbonylContact C-O 3.57Å; T87-P89 VanDerWaalsContact C-O 3.29Å; T87-P89 WeakPolarHBondContact CB-O 3.38Å; T87-P89 CarbonylContact O-C 3.56Å; T87-P89 PolarHBondContact OG1-O 2.89Å
90P92.5Very high96.1Very high96 Ų9649.4 Ų49.462%0.62325%0.248SC*.  trans-67.8144.2178.126.2-33.2000111.1L85 T87L85-P90 WeakPolarHBondContact O-CA 3.38Å; T87-P90 VanDerWaalsContact O-CA 3.31Å; T87-P90 WeakPolarHBondContact O-CA 3.42Å
91Q94.5Very high96Very high39 Ų3943.1 Ų43.118%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-111.2141.5179-60.1-17733.300110.8Q84 L85Q84-Q91 WeakPolarHBondContact CA-O 3.44Å; L85-Q91 HydrophobicContact CB-CB 4.33Å; L85-Q91 PolarHBondContact N-O 3.03Å; L85-Q91 PolarHBondContact O-N 2.81Å
92E95.9Very high95.8Very high77 Ų7744.4 Ų44.436%0.3623%0.234SC..EExtended strand (participates in β ladder)trans-125.3139.9175.4-172.2174.692.400109.1Q4 R40 F82 C83 Q84Q4-E92 PolarHBondContact NE2-O 2.91Å; Q4-E92 VanDerWaalsContact NE2-O 3.08Å; R40-E92 IonicContact CZ-OE2 2.96Å; R40-E92 IonicContact NH1-OE1 2.66Å; R40-E92 IonicContact NH1-OE2 3.96Å; R40-E92 PolarHBondContact NH1-OE2 3.15Å; R40-E92 IonicContact NH2-OE1 2.68Å; R40-E92 PolarHBondContact NH2-OE1 2.95Å; R40-E92 IonicContact NH2-OE2 3.37Å; F82-E92 HydrophobicContact CD1-CG 4.44Å; C83-E92 WeakPolarHBondContact O-CA 3.34Å; Q84-E92 HydrophobicContact CG-CB 4.46Å; Q84-E92 HydrophobicContact CG-CG 4.09Å; Q84-E92 PolarHBondContact NE2-OE2 3.48Å
93S97.1Very high95.6Very high22 Ų2243.5 Ų43.515%0.15423%0.23CC..EExtended strand (participates in β ladder)trans-137.9160.9167.1-166.10000108T8 C83T8-S93 PolarHBondContact OG1-OG 3.3Å; C83-S93 PolarHBondContact N-O 2.8Å; C83-S93 PolarHBondContact O-N 3.4Å; C83-S93 VanDerWaalsContact O-O 3.06Å
94Y97.4Very high94.7Very high100 Ų10052.1 Ų52.139%0.39226%0.263SS..EExtended strand (participates in β ladder)trans-136.3153.6178.465.4-90000112T8 R80 Y81T8-Y94 WeakPolarHBondContact CB-O 3.29Å; T8-Y94 VanDerWaalsContact OG1-C 3.22Å; T8-Y94 PolarHBondContact OG1-N 3.48Å; T8-Y94 PolarHBondContact OG1-O 3.13Å; R80-Y94 HydrophobicContact CB-CD2 4.31Å; R80-Y94 HydrophobicContact CG-CD2 3.97Å; R80-Y94 HydrophobicContact CG-CE2 4.33Å; Y81-Y94 CarbonylContact O-C 3.05Å; Y81-Y94 WeakPolarHBondContact O-CA 3.3Å; Y81-Y94 WeakPolarHBondContact O-CB 2.93Å
95T98.1Very high94.1Very high0 Ų055 Ų550%028%0.28CS..EExtended strand (participates in β ladder)trans-117.2140.7166.81730000108.6K9 D10 I21 R80 Y81K9-T95 VanDerWaalsContact O-CB 3.27Å; K9-T95 WeakPolarHBondContact O-CB 3.47Å; K9-T95 PolarHBondContact O-OG1 3.36Å; D10-T95 WeakPolarHBondContact CA-OG1 3.15Å; I21-T95 HydrophobicContact CG2-CG2 3.82Å; R80-T95 CarbonylContact C-O 3.54Å; R80-T95 WeakPolarHBondContact CA-O 3.26Å; Y81-T95 PolarHBondContact N-O 2.93Å; Y81-T95 PolarHBondContact O-N 3.21Å
96T98.4Very high94.1Very high35 Ų3556.3 Ų56.322%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-95.1124.6171.6-49.60000109D10 V11 G79D10-T96 WeakPolarHBondContact OD1-CB 3.04Å; D10-T96 PolarHBondContact OD1-N 2.71Å; D10-T96 PolarHBondContact OD1-OG1 2.87Å; V11-T96 PolarHBondContact N-O 3.03Å; G79-T96 WeakPolarHBondContact O-CA 3.46Å
97I98.4Very high94.2Very high1 Ų156.6 Ų56.61%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-88121.4165.2-62.2-170.5000108.2V11 V13 A19 I21 L70 E78 G79 Y81 V99V11-I97 HydrophobicContact CB-CG1 4.38Å; V11-I97 WeakPolarHBondContact O-CA 3.43Å; V13-I97 HydrophobicContact CG1-CG2 4.11Å; A19-I97 HydrophobicContact CB-CD1 4.15Å; I21-I97 HydrophobicContact CD1-CD1 3.91Å; I21-I97 HydrophobicContact CG1-CD1 3.95Å; L70-I97 HydrophobicContact CD2-CD1 4.36Å; E78-I97 WeakPolarHBondContact CA-O 3.31Å; G79-I97 PolarHBondContact N-O 3.47Å; G79-I97 PolarHBondContact O-N 3.46Å; Y81-I97 HydrophobicContact CD2-CB 4.28Å; Y81-I97 HydrophobicContact CD2-CD1 3.79Å; Y81-I97 HydrophobicContact CD2-CG1 3.7Å; Y81-I97 HydrophobicContact CE1-CD1 4.47Å; Y81-I97 HydrophobicContact CE2-CB 3.93Å; Y81-I97 HydrophobicContact CE2-CD1 3.45Å; Y81-I97 VanDerWaalsContact CE2-CD1 3.45Å; Y81-I97 HydrophobicContact CE2-CG1 3.65Å; Y81-I97 HydrophobicContact CG-CD1 4.45Å; I97-V99 HydrophobicContact CG2-CG2 4.2Å
98T97.8Very high94.4Very high58 Ų5855.7 Ų55.736%0.35629%0.288SS..EExtended strand (participates in β ladder)trans-112.3127.7172.7-56.90000108.8V11 T12 V13V11-T98 PolarHBondContact O-N 3.34Å; T12-T98 WeakPolarHBondContact CA-O 3.38Å; V13-T98 PolarHBondContact N-O 3.09Å
99V97.8Very high94.7Very high0 Ų052.1 Ų52.10%027%0.268CS..EExtended strand (participates in β ladder)trans-104.5125.2-177.3-179.90000109.6V13 E15 V73 E78 I97V13-V99 HydrophobicContact CG1-CG2 4.09Å; V13-V99 CarbonylContact O-C 3.44Å; V13-V99 WeakPolarHBondContact O-CA 3.49Å; E15-V99 HydrophobicContact CB-CG1 4.05Å; V73-V99 HydrophobicContact CG1-CG1 4.44Å; V73-V99 HydrophobicContact CG1-CG2 3.46Å; V73-V99 VanDerWaalsContact CG1-CG2 3.46Å; E78-V99 HydrophobicContact CG-CB 3.84Å; E78-V99 HydrophobicContact CG-CG2 3.57Å; E78-V99 PolarHBondContact OE1-N 2.75Å; I97-V99 HydrophobicContact CG2-CG2 4.2Å
100L97.4Very high94.8Very high20 Ų2049.6 Ų49.611%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-96.8137.3174.5-52.9179.8000110.3T12 V13 I14 E15 K131 P184 A185T12-L100 HydrophobicContact CG2-CD1 3.48Å; T12-L100 VanDerWaalsContact CG2-CD1 3.48Å; T12-L100 HydrophobicContact CG2-CD2 3.87Å; T12-L100 HydrophobicContact CG2-CG 3.48Å; T12-L100 VanDerWaalsContact CG2-CG 3.48Å; V13-L100 PolarHBondContact O-N 3.46Å; I14-L100 WeakPolarHBondContact CA-O 3.46Å; E15-L100 PolarHBondContact N-O 3.17Å; L100-K131 CarbonylContact C-O 3.56Å; L100-K131 VanDerWaalsContact CA-O 3.27Å; L100-K131 WeakPolarHBondContact CA-O 3.42Å; L100-P184 HydrophobicContact CD1-CB 4Å; L100-P184 HydrophobicContact CD1-CG 4.1Å; L100-P184 HydrophobicContact CD2-CG 4.16Å; L100-A185 HydrophobicContact CB-CB 3.74Å; L100-A185 HydrophobicContact CD1-CB 4.08Å
101V95.9Very high94.5Very high1 Ų151.3 Ų51.31%0.00625%0.251CS..BIsolated β-bridgetrans-121.1108.3175.2-172.10000108.8E15 I75 S130 K131 M157 H183E15-V101 HydrophobicContact CB-CG2 4.13Å; I75-V101 HydrophobicContact CD1-CG2 3.97Å; I75-V101 HydrophobicContact CG1-CG2 4.01Å; V101-S130 CarbonylContact O-C 3.56Å; V101-S130 VanDerWaalsContact O-CA 3.29Å; V101-S130 WeakPolarHBondContact O-CA 3.44Å; V101-K131 HydrophobicContact CB-CB 3.94Å; V101-K131 HydrophobicContact CG2-CB 4.01Å; V101-K131 PolarHBondContact N-O 2.85Å; V101-K131 PolarHBondContact O-N 2.69Å; V101-M157 HydrophobicContact CB-CE 4.2Å; V101-M157 HydrophobicContact CG1-CE 3.67Å; V101-M157 HydrophobicContact CG2-CE 4.45Å; V101-H183 PolarHBondContact O-CE1 2.84Å; V101-H183 PolarHBondContact O-NE2 2.85Å
102P94.9Very high94.1Very high33 Ų3353.4 Ų53.421%0.21426%0.259CS..  trans-69.1146.8176.128.8-33.6000110.7I14 R104 A185 V186I14-P102 HydrophobicContact CG2-CG 4.33Å; P102-R104 PolarHBondContact O-N 3.39Å; P102-A185 HydrophobicContact CB-CB 4.09Å; P102-A185 HydrophobicContact CG-CB 4.35Å; P102-V186 HydrophobicContact CB-CG2 3.88Å
103P93.8Very high93.6Very high6 Ų656.4 Ų56.44%0.03928%0.278CS..  trans-64.2127.3174.424.3-29000109.7L106 A127 V181 L190P103-L106 HydrophobicContact CB-CD2 4.35Å; P103-A127 HydrophobicContact CB-CB 4.17Å; P103-V181 HydrophobicContact CG-CG1 3.84Å; P103-L190 HydrophobicContact CG-CD2 3.81Å
104R80.1Confident93.4Very high181 Ų18157.7 Ų57.768%0.68329%0.285SS*.  trans-89.8-27.8-175.1-61.1-172.9-174.9-168.33.6113.4E15 P102E15-R104 IonicContact OE2-CZ 3.61Å; E15-R104 IonicContact OE2-NH2 3.7Å; E15-R104 PolarHBondContact OE2-NH2 3.47Å; P102-R104 PolarHBondContact O-N 3.39Å
105N84.5Confident93.3Very high106 Ų10653.1 Ų53.157%0.56727%0.267SS*.  trans-131.5113.9-174.5-67.5-38.4000110M128N105-M128 HydrophobicContact CB-CE 3.84Å; N105-M128 PolarHBondContact O-N 3.01Å
106L95.1Very high93.2Very high29 Ų2955.5 Ų55.515%0.15228%0.282CS..EExtended strand (participates in β ladder)trans-99.6123.7168.4-57.3-172000109.1P103 T126 A127 V181 L190 T192P103-L106 HydrophobicContact CB-CD2 4.35Å; L106-T126 WeakPolarHBondContact CA-O 2.91Å; L106-A127 HydrophobicContact CD2-CB 3.55Å; L106-V181 HydrophobicContact CD1-CB 4.07Å; L106-V181 HydrophobicContact CD1-CG2 3.54Å; L106-V181 HydrophobicContact CD2-CB 4.3Å; L106-V181 HydrophobicContact CD2-CG1 4.42Å; L106-V181 HydrophobicContact CD2-CG2 3.58Å; L106-V181 HydrophobicContact CG-CG2 4.2Å; L106-L190 HydrophobicContact CD1-CD1 4.42Å; L106-L190 HydrophobicContact CD1-CD2 4.38Å; L106-L190 HydrophobicContact CD1-CG 3.85Å; L106-L190 HydrophobicContact CG-CG 4.45Å; L106-T192 HydrophobicContact CB-CG2 3.52Å; L106-T192 HydrophobicContact CD1-CG2 4.28Å
107M96Very high93.2Very high118 Ų11857.6 Ų57.658%0.58129%0.289SS*.EExtended strand (participates in β ladder)trans-120.3127.3178.3179.7174.8-93.600109.3C125 T126M107-C125 CarbonylContact O-C 3.17Å; M107-C125 VanDerWaalsContact O-CA 3.27Å; M107-C125 WeakPolarHBondContact O-CA 3.45Å; M107-T126 PolarHBondContact N-O 2Å; M107-T126 PolarHBondContact O-N 2.91Å
108I96.7Very high93Very high8 Ų859.3 Ų59.34%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-102.2125.3164-65.8168.1000108.2I110 V123 N124 C125 W138 C179 T192 R194I108-I110 HydrophobicContact CG2-CG1 4.26Å; I108-V123 HydrophobicContact CG2-CG1 3.56Å; I108-N124 CarbonylContact C-O 3.45Å; I108-N124 VanDerWaalsContact CA-O 3.23Å; I108-N124 WeakPolarHBondContact CA-O 3.43Å; I108-C125 HydrophobicContact CG1-CB 4.15Å; I108-W138 HydrophobicContact CD1-CZ3 4.2Å; I108-W138 HydrophobicContact CG1-CH2 4.37Å; I108-W138 HydrophobicContact CG1-CZ3 4.3Å; I108-C179 HydrophobicContact CD1-CB 3.71Å; I108-C179 HydrophobicContact CG1-CB 3.86Å; I108-T192 HydrophobicContact CD1-CG2 3.76Å; I108-T192 HydrophobicContact CG1-CG2 3.71Å; I108-R194 HydrophobicContact CB-CB 4.41Å; I108-R194 HydrophobicContact CB-CG 3.67Å; I108-R194 HydrophobicContact CD1-CG 4.4Å; I108-R194 HydrophobicContact CG2-CB 3.97Å; I108-R194 HydrophobicContact CG2-CG 3.64Å
109D95.5Very high92.9Very high91 Ų9159.6 Ų59.649%0.48730%0.304SS..EExtended strand (participates in β ladder)trans-112.2133.9171.6-173.743.5000109.8N124D109-N124 PolarHBondContact N-O 2.98Å; D109-N124 PolarHBondContact O-N 2.83Å
110I93.1Very high92.8Very high21 Ų2165.4 Ų65.411%0.10833%0.332CS..EExtended strand (participates in β ladder)trans-117.6117.1176.9-57.2173.6000105.5I108 K112 I121 V123 R194 L196I108-I110 HydrophobicContact CG2-CG1 4.26Å; I110-K112 VanDerWaalsContact CG2-O 3.22Å; I110-K112 WeakPolarHBondContact CG2-O 3.1Å; I110-K112 PolarHBondContact O-N 2.75Å; I110-I121 HydrophobicContact CG2-CD1 4.25Å; I110-V123 HydrophobicContact CG1-CG1 4.04Å; I110-V123 HydrophobicContact CG1-CG2 4.31Å; I110-V123 HydrophobicContact CG2-CG2 4.43Å; I110-R194 HydrophobicContact CD1-CB 3.9Å; I110-L196 HydrophobicContact CD1-CD2 4.24Å
111Q86.4Confident92.7Very high132 Ų13264.9 Ų64.962%0.61733%0.329SS*.SBendtrans-59.2-24-175.7-70.8-158.79.600113.4E122Q111-E122 HydrophobicContact CG-CB 4.25Å; Q111-E122 PolarHBondContact N-O 3.42Å; Q111-E122 PolarHBondContact NE2-OE1 2.78Å; Q111-E122 PolarHBondContact NE2-OE2 3.3Å
112K86.8Confident92.7Very high82 Ų8266.9 Ų66.936%0.35734%0.338SS..  trans-131.1108.1178.5-163.8-174.9-172.2-1760110.6I110 T114 E119I110-K112 VanDerWaalsContact CG2-O 3.22Å; I110-K112 WeakPolarHBondContact CG2-O 3.1Å; I110-K112 PolarHBondContact O-N 2.75Å; K112-T114 VanDerWaalsContact CD-O 3.28Å; K112-T114 WeakPolarHBondContact CD-O 3.02Å; K112-T114 WeakPolarHBondContact CE-O 3.28Å; K112-T114 WeakPolarHBondContact CG-O 3.26Å; K112-T114 PolarHBondContact O-N 3.12Å; K112-T114 VanDerWaalsContact O-N 3.07Å; K112-E119 IonicContact NZ-OE1 3.2Å; K112-E119 PolarHBondContact NZ-OE1 2.81Å; K112-E119 IonicContact NZ-OE2 3.54Å; K112-E119 PolarHBondContact NZ-OE2 2.88Å
113D84.8Confident92.7Very high141 Ų14165.3 Ų65.375%0.75433%0.328SS*.SBendtrans-61.1-18.3-179.7-71.5-40000114.1E197D113-E197 WeakPolarHBondContact O-CB 3.5Å
114T93Very high92.9Very high49 Ų4966.2 Ų66.230%0.30133%0.332SS..SBendtrans-141.7113.8179.6-57.90000110.3K112 E197 Q199K112-T114 VanDerWaalsContact CD-O 3.28Å; K112-T114 WeakPolarHBondContact CD-O 3.02Å; K112-T114 WeakPolarHBondContact CE-O 3.28Å; K112-T114 WeakPolarHBondContact CG-O 3.26Å; K112-T114 PolarHBondContact O-N 3.12Å; K112-T114 VanDerWaalsContact O-N 3.07Å; T114-E197 HydrophobicContact CG2-CG 4Å; T114-Q199 HydrophobicContact CG2-CG 3.63Å
115A95.2Very high93.7Very high3 Ų357.6 Ų57.63%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-98.6155-178.200000111.4I121 V168 E197 V198 Q199A115-I121 HydrophobicContact CB-CG2 3.68Å; A115-V168 HydrophobicContact CB-CB 4.48Å; A115-V168 HydrophobicContact CB-CG1 4.25Å; A115-V168 HydrophobicContact CB-CG2 3.68Å; A115-E197 PolarHBondContact N-O 2.84Å; A115-V198 CarbonylContact O-C 3.5Å; A115-V198 WeakPolarHBondContact O-CA 3.25Å; A115-Q199 PolarHBondContact O-N 3.06Å
116V96.4Very high94.4Very high51 Ų5154 Ų5431%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-100.5141.6170.51780000109.4G118 E119 V168 Q199 V278V116-G118 PolarHBondContact O-N 3.44Å; V116-E119 PolarHBondContact N-OE2 2.81Å; V116-E119 WeakPolarHBondContact O-CB 3.46Å; V116-E119 PolarHBondContact O-N 3.11Å; V116-V168 VanDerWaalsContact O-CG2 3.27Å; V116-V168 WeakPolarHBondContact O-CG2 3.36Å; V116-Q199 CarbonylContact C-O 3.55Å; V116-Q199 WeakPolarHBondContact CA-O 3.36Å; V116-V278 HydrophobicContact CG1-CG1 3.6Å
117E96.7Very high94.4Very high78 Ų7852.7 Ų52.736%0.36428%0.275SS..THydrogen-bonded Turntrans-48.4128.8176.2178-179.5-149.100112.2E119 V198 Q199 Y200E117-E119 VanDerWaalsContact C-N 3.33Å; E117-V198 HydrophobicContact CB-CG1 4.41Å; E117-Q199 PolarHBondContact N-O 3.49Å; E117-Y200 WeakPolarHBondContact OE2-CB 3.35Å
118G95.6Very high94.3Very high37 Ų3750.5 Ų50.538%0.38126%0.264SS..THydrogen-bonded Turntrans88.5-9.4-177.700000114.9V116 K167 V168V116-G118 PolarHBondContact O-N 3.44Å; G118-K167 VanDerWaalsContact O-CE 3.3Å; G118-K167 WeakPolarHBondContact O-CE 3.35Å; G118-V168 PolarHBondContact N-O 3.37Å
119E95.4Very high94.1Very high64 Ų6452.1 Ų52.130%0.29928%0.279SS..  trans-69.7151172.3-168.8171-166.600111.1K112 V116 E117 I121 K167 V168K112-E119 IonicContact NZ-OE1 3.2Å; K112-E119 PolarHBondContact NZ-OE1 2.81Å; K112-E119 IonicContact NZ-OE2 3.54Å; K112-E119 PolarHBondContact NZ-OE2 2.88Å; V116-E119 PolarHBondContact N-OE2 2.81Å; V116-E119 WeakPolarHBondContact O-CB 3.46Å; V116-E119 PolarHBondContact O-N 3.11Å; E117-E119 VanDerWaalsContact C-N 3.33Å; E119-I121 HydrophobicContact CG-CG2 4.48Å; E119-K167 CarbonylContact O-C 3.53Å; E119-K167 WeakPolarHBondContact O-CA 3.39Å; E119-V168 HydrophobicContact CB-CG2 4.28Å; E119-V168 WeakPolarHBondContact O-CG2 3.38Å; E119-V168 PolarHBondContact O-N 3.3Å
120E95.5Very high94.1Very high123 Ų12347.8 Ų47.858%0.57526%0.255SS*.EExtended strand (participates in β ladder)trans-104.2121.3170.9-167.1172.8-114.300108.7M165 L166E120-M165 HydrophobicContact CG-CB 4.45Å; E120-M165 HydrophobicContact CG-CE 4.06Å; E120-L166 WeakPolarHBondContact CA-O 3.33Å
121I94.8Very high94.3Very high8 Ų848.1 Ų48.14%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-109.5152.2-179.564.4172000111.3I110 A115 E119 V123 M165 L166 V168 L196I110-I121 HydrophobicContact CG2-CD1 4.25Å; A115-I121 HydrophobicContact CB-CG2 3.68Å; E119-I121 HydrophobicContact CG-CG2 4.48Å; I121-V123 HydrophobicContact CD1-CG2 4.02Å; I121-V123 HydrophobicContact CG1-CG2 4.2Å; I121-M165 WeakPolarHBondContact O-CA 3.38Å; I121-L166 HydrophobicContact CG1-CB 4.23Å; I121-L166 WeakPolarHBondContact CG1-O 3.38Å; I121-L166 PolarHBondContact N-O 3Å; I121-L166 PolarHBondContact O-N 3.26Å; I121-V168 HydrophobicContact CD1-CG1 3.69Å; I121-V168 HydrophobicContact CG1-CG1 3.89Å; I121-L196 HydrophobicContact CD1-CD2 3.8Å
122E96Very high94.7Very high43 Ų4344.5 Ų44.520%0.20124%0.244CC..EExtended strand (participates in β ladder)trans-99128.1172.2-171.1-175.4132.600110.1Q111 N124 Q163 M165Q111-E122 HydrophobicContact CG-CB 4.25Å; Q111-E122 PolarHBondContact N-O 3.42Å; Q111-E122 PolarHBondContact NE2-OE1 2.78Å; Q111-E122 PolarHBondContact NE2-OE2 3.3Å; E122-N124 PolarHBondContact OE1-ND2 2.89Å; E122-N124 PolarHBondContact OE1-OD1 2.98Å; E122-Q163 HydrophobicContact CG-CG 3.7Å; E122-Q163 PolarHBondContact OE1-NE2 2.87Å; E122-Q163 PolarHBondContact OE2-NE2 2.75Å; E122-M165 HydrophobicContact CB-SD 3.91Å; E122-M165 HydrophobicContact CG-SD 3.95Å
123V96.4Very high95.2Very high0 Ų042.5 Ų42.50%024%0.243CC..EExtended strand (participates in β ladder)trans-124.4124.3176.7-172.50000108.8I108 I110 I121 W138 L164I108-V123 HydrophobicContact CG2-CG1 3.56Å; I110-V123 HydrophobicContact CG1-CG1 4.04Å; I110-V123 HydrophobicContact CG1-CG2 4.31Å; I110-V123 HydrophobicContact CG2-CG2 4.43Å; I121-V123 HydrophobicContact CD1-CG2 4.02Å; I121-V123 HydrophobicContact CG1-CG2 4.2Å; V123-W138 HydrophobicContact CB-CH2 4.33Å; V123-W138 HydrophobicContact CG1-CH2 3.63Å; V123-W138 HydrophobicContact CG1-CZ3 3.84Å; V123-L164 HydrophobicContact CB-CB 4.37Å; V123-L164 PolarHBondContact N-O 3.38Å; V123-L164 PolarHBondContact O-N 2.83Å
124N97.6Very high95.7Very high26 Ų2636.1 Ų36.114%0.13921%0.209CC..EExtended strand (participates in β ladder)trans-110.3134.6-179.6-69.2-35.7000110.1I108 D109 E122 T161 S162 Q163I108-N124 CarbonylContact C-O 3.45Å; I108-N124 VanDerWaalsContact CA-O 3.23Å; I108-N124 WeakPolarHBondContact CA-O 3.43Å; D109-N124 PolarHBondContact N-O 2.98Å; D109-N124 PolarHBondContact O-N 2.83Å; E122-N124 PolarHBondContact OE1-ND2 2.89Å; E122-N124 PolarHBondContact OE1-OD1 2.98Å; N124-T161 HydrophobicContact CB-CG2 4.44Å; N124-S162 CarbonylContact C-O 3.42Å; N124-S162 WeakPolarHBondContact CA-O 3.39Å; N124-Q163 WeakPolarHBondContact OD1-CA 3.36Å; N124-Q163 WeakPolarHBondContact OD1-CB 3.27Å; N124-Q163 WeakPolarHBondContact OD1-CG 3.29Å
125C97.5Very high95.9Very high0 Ų037.5 Ų37.50%022%0.218CC..EExtended strand (participates in β ladder)trans-117.3124.5167.9-179.20000109.6M107 I108 I136 W138 T161 S162 C179M107-C125 CarbonylContact O-C 3.17Å; M107-C125 VanDerWaalsContact O-CA 3.27Å; M107-C125 WeakPolarHBondContact O-CA 3.45Å; I108-C125 HydrophobicContact CG1-CB 4.15Å; C125-I136 HydrophobicContact CB-CG2 4.33Å; C125-I136 WeakPolarHBondContact O-CD1 3.46Å; C125-W138 HydrophobicContact CB-CH2 3.32Å; C125-W138 HydrophobicContact CB-CZ2 3.37Å; C125-W138 HydrophobicContact CB-CZ3 4.14Å; C125-T161 CarbonylContact O-C 3.6Å; C125-T161 VanDerWaalsContact O-CA 3.31Å; C125-T161 WeakPolarHBondContact O-CA 3.48Å; C125-S162 PolarHBondContact N-O 2.82Å; C125-S162 PolarHBondContact O-N 2.83Å; C125-C179 HydrophobicContact CB-CB 3.57Å; C125-C179 WeakPolarHBondContact CB-SG 3.15Å; C125-C179 WeakPolarHBondContact SG-CB 3.38Å; C125-C179 CovalentContact SG-SG 2.02Å; C125-C179 PolarHBondContact SG-SG 3.16Å
126T97.3Very high96Very high31 Ų3138 Ų3819%0.1922%0.22CC..EExtended strand (participates in β ladder)trans-114.9123.9179-56.60000110.1L106 M107 M128 T159 V160 T161L106-T126 WeakPolarHBondContact CA-O 2.91Å; M107-T126 PolarHBondContact N-O 2Å; M107-T126 PolarHBondContact O-N 2.91Å; T126-M128 HydrophobicContact CG2-CG 3.78Å; T126-T159 HydrophobicContact CG2-CG2 3.64Å; T126-V160 WeakPolarHBondContact CA-O 3.34Å; T126-T161 WeakPolarHBondContact CG2-OG1 3.49Å; T126-T161 WeakPolarHBondContact OG1-CG2 3.33Å; T126-T161 PolarHBondContact OG1-OG1 3Å; T126-T161 VanDerWaalsContact OG1-OG1 3.04Å
127A96.6Very high96Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-105.7107.5169.200000108.7P103 L106 T134 I136 T159 V160 V181P103-A127 HydrophobicContact CB-CB 4.17Å; L106-A127 HydrophobicContact CD2-CB 3.55Å; A127-T134 HydrophobicContact CB-CG2 3.5Å; A127-I136 HydrophobicContact CB-CD1 4.13Å; A127-T159 WeakPolarHBondContact O-CA 3.32Å; A127-V160 PolarHBondContact N-O 3.12Å; A127-V160 PolarHBondContact O-N 2.96Å; A127-V181 HydrophobicContact CB-CG2 4.46Å
128M93.8Very high96Very high72 Ų7235.6 Ų35.636%0.35520%0.202SC..EExtended strand (participates in β ladder)trans-91.5149-174.6-65.7176.9-89.700112.2N105 T126 T159N105-M128 HydrophobicContact CB-CE 3.84Å; N105-M128 PolarHBondContact O-N 3.01Å; T126-M128 HydrophobicContact CG2-CG 3.78Å; M128-T159 HydrophobicContact CG-CG2 4.13Å
129A92.4Very high96Very high42 Ų4235.6 Ų35.635%0.34719%0.191SC..EExtended strand (participates in β ladder)trans55.657.6163.700000113.3M157 Y158A129-M157 VanDerWaalsContact C-CE 3.46Å; A129-M157 HydrophobicContact CB-CE 3.59Å; A129-M157 WeakPolarHBondContact O-CE 3.47Å; A129-Y158 PolarHBondContact N-O 2.86Å
130S95.8Very high95.9Very high0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-11015317659.60000112.5V101 P132 Y158V101-S130 CarbonylContact O-C 3.56Å; V101-S130 VanDerWaalsContact O-CA 3.29Å; V101-S130 WeakPolarHBondContact O-CA 3.44Å; S130-P132 CarbonylContact C-O 3.57Å; S130-P132 PolarHBondContact OG-O 2.75Å; S130-Y158 PolarHBondContact N-O 2.77Å; S130-Y158 PolarHBondContact O-N 3.5Å; S130-Y158 PolarHBondContact OG-O 3.38Å
131K96.1Very high95.3Very high28 Ų2830.6 Ų30.612%0.12218%0.179CC..BIsolated β-bridgetrans-146.5115.1171.3-173.5-179.9-176.6172.90109.8E78 L100 V101 D156 H183E78-K131 WeakPolarHBondContact OE1-CE 3.45Å; E78-K131 IonicContact OE1-NZ 3.71Å; E78-K131 PolarHBondContact OE1-NZ 2.7Å; E78-K131 IonicContact OE2-NZ 2.97Å; E78-K131 PolarHBondContact OE2-NZ 3.11Å; L100-K131 CarbonylContact C-O 3.56Å; L100-K131 VanDerWaalsContact CA-O 3.27Å; L100-K131 WeakPolarHBondContact CA-O 3.42Å; V101-K131 HydrophobicContact CB-CB 3.94Å; V101-K131 HydrophobicContact CG2-CB 4.01Å; V101-K131 PolarHBondContact N-O 2.85Å; V101-K131 PolarHBondContact O-N 2.69Å; K131-D156 VanDerWaalsContact CD-O 3.31Å; K131-D156 WeakPolarHBondContact CD-O 3.07Å; K131-H183 PolarHBondContact O-CE1 3.42Å; K131-H183 VanDerWaalsContact O-CE1 3.3Å; K131-H183 PolarHBondContact O-NE2 2.9Å
132P96.3Very high94.9Very high57 Ų5738.3 Ų38.337%0.3722%0.22SC..SBendcis-69.9179.6-3.432.8-38.5000113S130 T134 H183 P184S130-P132 CarbonylContact C-O 3.57Å; S130-P132 PolarHBondContact OG-O 2.75Å; P132-T134 PolarHBondContact O-N 3.29Å; P132-H183 PolarHBondContact O-CD2 2.66Å; P132-H183 VanDerWaalsContact O-CD2 3.32Å; P132-H183 PolarHBondContact O-NE2 2.97Å; P132-P184 HydrophobicContact CG-CG 3.82Å
133A96.1Very high94.7Very high39 Ų3940.5 Ų40.532%0.32224%0.237SC..PPolyproline II helixtrans-53.1132.5171.800000111.1V151 Y158 V160A133-V151 HydrophobicContact CB-CG1 3.99Å; A133-Y158 HydrophobicContact CB-CD1 4.12Å; A133-Y158 HydrophobicContact CB-CD2 4.07Å; A133-Y158 HydrophobicContact CB-CG 3.68Å; A133-Y158 VanDerWaalsContact N-CD2 3.27Å; A133-V160 HydrophobicContact CB-CG2 4.12Å
134T96.1Very high94.7Very high7 Ų745.1 Ų45.14%0.04326%0.258CS..PPolyproline II helixtrans-84.8158.7-177.9-154.60000112.3A127 P132 I136 V160 V181 E182A127-T134 HydrophobicContact CB-CG2 3.5Å; P132-T134 PolarHBondContact O-N 3.29Å; T134-I136 HydrophobicContact CG2-CG1 4.35Å; T134-V160 HydrophobicContact CG2-CB 4.12Å; T134-V160 HydrophobicContact CG2-CG2 4.1Å; T134-V181 HydrophobicContact CG2-CG1 3.6Å; T134-V181 WeakPolarHBondContact OG1-CG1 3.38Å; T134-E182 PolarHBondContact OG1-O 2.68Å
135T96.3Very high94.6Very high79 Ų7945.5 Ų45.549%0.48526%0.26SS..EExtended strand (participates in β ladder)trans-100.8130172.2-58.20000109.7V181 E182T135-V181 WeakPolarHBondContact O-CA 3.49Å; T135-E182 PolarHBondContact N-O 2.83Å; T135-E182 PolarHBondContact O-N 3.03Å
136I97.1Very high94.5Very high13 Ų1355.3 Ų55.37%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-103.1133.4177.2-63.5179.1000109.9C125 A127 T134 V160 S162 C179 V181C125-I136 HydrophobicContact CB-CG2 4.33Å; C125-I136 WeakPolarHBondContact O-CD1 3.46Å; A127-I136 HydrophobicContact CB-CD1 4.13Å; T134-I136 HydrophobicContact CG2-CG1 4.35Å; I136-V160 HydrophobicContact CD1-CB 4.21Å; I136-V160 HydrophobicContact CD1-CG1 3.93Å; I136-V160 WeakPolarHBondContact CD1-O 3.35Å; I136-V160 HydrophobicContact CG1-CG1 4.21Å; I136-S162 VanDerWaalsContact CG2-CB 3.49Å; I136-C179 WeakPolarHBondContact CG2-SG 2.99Å; I136-V181 HydrophobicContact CG1-CG2 4.23Å
137R96.3Very high94.5Very high77 Ų7755.2 Ų55.229%0.29131%0.308SS..EExtended strand (participates in β ladder)trans-128.2139.7176-62.1177.671.1-177.41.6109.9F139 E144 Q180 E182R137-F139 HydrophobicContact CB-CE2 3.72Å; R137-F139 HydrophobicContact CB-CZ 4.31Å; R137-E144 IonicContact CZ-OE1 3.77Å; R137-E144 VanDerWaalsContact CZ-OE1 3.24Å; R137-E144 IonicContact CZ-OE2 2.83Å; R137-E144 IonicContact NE-OE1 3.83Å; R137-E144 PolarHBondContact NE-OE1 2.94Å; R137-E144 IonicContact NH2-OE1 2.61Å; R137-E144 PolarHBondContact NH2-OE1 2.88Å; R137-E144 IonicContact NH2-OE2 2.73Å; R137-E144 PolarHBondContact NH2-OE2 2.73Å; R137-Q180 PolarHBondContact N-O 2.97Å; R137-Q180 PolarHBondContact O-N 3.36Å; R137-E182 WeakPolarHBondContact CD-OE1 3.27Å; R137-E182 IonicContact CZ-OE1 3.21Å; R137-E182 IonicContact NE-OE1 2.95Å; R137-E182 IonicContact NH1-OE1 3.17Å; R137-E182 PolarHBondContact NH1-OE1 3.07Å
138W97.6Very high94.5Very high2 Ų262.9 Ų62.91%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-104.5138.4-178.5-70.199.8000111I108 V123 C125 E144 L145 S162 L164 V177 I178 C179I108-W138 HydrophobicContact CD1-CZ3 4.2Å; I108-W138 HydrophobicContact CG1-CH2 4.37Å; I108-W138 HydrophobicContact CG1-CZ3 4.3Å; V123-W138 HydrophobicContact CB-CH2 4.33Å; V123-W138 HydrophobicContact CG1-CH2 3.63Å; V123-W138 HydrophobicContact CG1-CZ3 3.84Å; C125-W138 HydrophobicContact CB-CH2 3.32Å; C125-W138 HydrophobicContact CB-CZ2 3.37Å; C125-W138 HydrophobicContact CB-CZ3 4.14Å; W138-E144 CarbonylContact O-C 3.56Å; W138-E144 WeakPolarHBondContact O-CA 3.47Å; W138-L145 HydrophobicContact CB-CB 3.88Å; W138-L145 PolarHBondContact O-N 3.23Å; W138-S162 WeakPolarHBondContact CZ2-O 3.32Å; W138-S162 PolarHBondContact NE1-OG 2.97Å; W138-L164 HydrophobicContact CB-CD2 4.31Å; W138-L164 HydrophobicContact CD2-CB 4.07Å; W138-L164 HydrophobicContact CD2-CD2 3.93Å; W138-L164 HydrophobicContact CE3-CD2 3.98Å; W138-L164 HydrophobicContact CG-CB 4.33Å; W138-L164 HydrophobicContact CG-CD2 4.12Å; W138-L164 HydrophobicContact CZ2-CB 4.09Å; W138-V177 HydrophobicContact CE3-CG1 3.51Å; W138-V177 HydrophobicContact CZ3-CG1 3.61Å; W138-I178 CarbonylContact C-O 3.25Å; W138-I178 WeakPolarHBondContact CA-O 3.42Å; W138-C179 HydrophobicContact CE3-CB 4.25Å; W138-C179 HydrophobicContact CH2-CB 4.43Å; W138-C179 HydrophobicContact CZ3-CB 4.02Å
139F96.1Very high94.7Very high36 Ų3662.4 Ų62.416%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-133141.7174.7-62.7-91.3000111R137 T143 E144 I178 Q180R137-F139 HydrophobicContact CB-CE2 3.72Å; R137-F139 HydrophobicContact CB-CZ 4.31Å; F139-T143 WeakPolarHBondContact CA-O 3.19Å; F139-E144 HydrophobicContact CD1-CB 4.06Å; F139-E144 HydrophobicContact CE1-CB 3.77Å; F139-E144 HydrophobicContact CE1-CG 4.05Å; F139-E144 HydrophobicContact CZ-CB 4.48Å; F139-E144 HydrophobicContact CZ-CG 4.28Å; F139-I178 HydrophobicContact CB-CB 4.16Å; F139-I178 PolarHBondContact N-O 2.95Å; F139-I178 PolarHBondContact O-N 2.84Å; F139-Q180 HydrophobicContact CD2-CB 4.05Å; F139-Q180 HydrophobicContact CE2-CB 3.88Å
140K93.3Very high95Very high39 Ų3967.3 Ų67.317%0.1736%0.361CS..EExtended strand (participates in β ladder)trans-129.7108.9167.4-176.6176.466.1164.40107.5N142 T143 L145 L166 D172 V175K140-N142 PolarHBondContact O-N 2.99Å; K140-T143 PolarHBondContact N-O 3.35Å; K140-T143 PolarHBondContact O-N 3Å; K140-T143 VanDerWaalsContact O-N 3.16Å; K140-L145 HydrophobicContact CB-CD1 3.77Å; K140-L145 HydrophobicContact CB-CG 4.36Å; K140-L166 HydrophobicContact CD-CD2 4.46Å; K140-D172 WeakPolarHBondContact CE-OD1 3.34Å; K140-D172 IonicContact NZ-OD1 2.68Å; K140-D172 PolarHBondContact NZ-OD1 2.95Å; K140-D172 IonicContact NZ-OD2 3.18Å; K140-D172 PolarHBondContact NZ-OD2 3.2Å; K140-V175 HydrophobicContact CG-CG1 3.82Å
141G83.1Confident95Very high44 Ų4471.4 Ų71.445%0.45439%0.386SS..THydrogen-bonded Turntrans60.6-125.2-165.200000111.1
142N85.6Confident95Very high170 Ų17076 Ų7691%0.90941%0.408SS*.THydrogen-bonded Turntrans-93.93.2177.1-68.1-19.5000113.6K140K140-N142 PolarHBondContact O-N 2.99Å
143T92.7Very high94.9Very high89 Ų8979.1 Ų79.155%0.54642%0.417SS..EExtended strand (participates in β ladder)trans-99.2124.4-173.4-54.90000110F139 K140 L145F139-T143 WeakPolarHBondContact CA-O 3.19Å; K140-T143 PolarHBondContact N-O 3.35Å; K140-T143 PolarHBondContact O-N 3Å; K140-T143 VanDerWaalsContact O-N 3.16Å; T143-L145 HydrophobicContact CG2-CD2 4.35Å
144E95.7Very high94.5Very high97 Ų9787.4 Ų87.445%0.45344%0.44SS..EExtended strand (participates in β ladder)trans-76.2131.8170.9-174.4171-167.700110.6R137 W138 F139R137-E144 IonicContact CZ-OE1 3.77Å; R137-E144 VanDerWaalsContact CZ-OE1 3.24Å; R137-E144 IonicContact CZ-OE2 2.83Å; R137-E144 IonicContact NE-OE1 3.83Å; R137-E144 PolarHBondContact NE-OE1 2.94Å; R137-E144 IonicContact NH2-OE1 2.61Å; R137-E144 PolarHBondContact NH2-OE1 2.88Å; R137-E144 IonicContact NH2-OE2 2.73Å; R137-E144 PolarHBondContact NH2-OE2 2.73Å; W138-E144 CarbonylContact O-C 3.56Å; W138-E144 WeakPolarHBondContact O-CA 3.47Å; F139-E144 HydrophobicContact CD1-CB 4.06Å; F139-E144 HydrophobicContact CE1-CB 3.77Å; F139-E144 HydrophobicContact CE1-CG 4.05Å; F139-E144 HydrophobicContact CZ-CB 4.48Å; F139-E144 HydrophobicContact CZ-CG 4.28Å
145L96.2Very high94.2Very high34 Ų3491.6 Ų91.618%0.17847%0.47CS..EExtended strand (participates in β ladder)trans-107.8151.3178.8-57178.6000110.4W138 K140 T143 L164 L166W138-L145 HydrophobicContact CB-CB 3.88Å; W138-L145 PolarHBondContact O-N 3.23Å; K140-L145 HydrophobicContact CB-CD1 3.77Å; K140-L145 HydrophobicContact CB-CG 4.36Å; T143-L145 HydrophobicContact CG2-CD2 4.35Å; L145-L164 HydrophobicContact CB-CD1 3.91Å; L145-L164 HydrophobicContact CB-CD2 4.49Å; L145-L164 HydrophobicContact CD1-CD1 4.34Å; L145-L164 HydrophobicContact CD1-CD2 3.81Å; L145-L166 HydrophobicContact CD1-CD1 4.25Å
146K95.1Very high93.8Very high205 Ų20591.9 Ų91.989%0.89147%0.469SS*.  trans-95.8109.5179.7-66.9-174.4179.1-177.90110.3
147G96.2Very high93.7Very high29 Ų2993.5 Ų93.530%0.29948%0.477SS..  trans-93.6172.4166.200000112.2Q163G147-Q163 CarbonylContact C-O 3.55Å; G147-Q163 WeakPolarHBondContact CA-O 3.4Å
148K97.8Very high93.6Very high161 Ų16192.8 Ų92.870%0.747%0.474SS*.EExtended strand (participates in β ladder)trans-112.8122.3169.3-66.8178.4-177.4172.70108.3S162 Q163K148-S162 CarbonylContact O-C 3.54Å; K148-S162 WeakPolarHBondContact O-CA 2.84Å; K148-Q163 PolarHBondContact N-O 3.21Å; K148-Q163 PolarHBondContact O-N 2.78Å
149S97.6Very high93.6Very high62 Ų6294.2 Ų94.243%0.43448%0.483SS..EExtended strand (participates in β ladder)trans-105.8137.2-176.2-55.60000111.5T161 S162S149-T161 CarbonylContact C-O 3.56Å; S149-T161 WeakPolarHBondContact CA-O 3.26Å; S149-S162 WeakPolarHBondContact OG-CB 3.29Å; S149-S162 PolarHBondContact OG-OG 3.24Å
150E97.6Very high93.6Very high145 Ų14592.6 Ų92.668%0.67848%0.476SS*.EExtended strand (participates in β ladder)trans-117.8142.3173.3-64.2-175.6174.800108.9V160 T161E150-V160 WeakPolarHBondContact O-CA 3.28Å; E150-T161 PolarHBondContact N-O 3.4Å; E150-T161 PolarHBondContact O-N 2.93Å
151V97.1Very high93.8Very high86 Ų8692.6 Ų92.652%0.52148%0.48SS..EExtended strand (participates in β ladder)trans-119.4121-176.3-177.60000108.4A133 Y158 V160A133-V151 HydrophobicContact CB-CG1 3.99Å; V151-Y158 HydrophobicContact CG1-CD1 3.85Å; V151-Y158 HydrophobicContact CG1-CG 4.46Å; V151-V160 HydrophobicContact CG1-CG2 4.29Å; V151-V160 HydrophobicContact CG2-CG1 4.27Å; V151-V160 HydrophobicContact CG2-CG2 4.12Å
152E95.9Very high94.5Very high125 Ų12590.6 Ų90.658%0.58446%0.458SS*.EExtended strand (participates in β ladder)trans-105.8128.3173.4-64.7-180178.600109.3Y158 T159E152-Y158 WeakPolarHBondContact O-CA 3.36Å; E152-T159 PolarHBondContact N-O 3.47Å; E152-T159 PolarHBondContact O-N 2.83Å
153E94.8Very high95.1Very high123 Ų12385.8 Ų85.858%0.57543%0.431SS*.EExtended strand (participates in β ladder)trans-97.6128.9176.3-175.4168-140.800110Y158E153-Y158 HydrophobicContact CB-CD1 4.06Å; E153-Y158 HydrophobicContact CB-CE1 3.9Å; E153-Y158 HydrophobicContact CG-CD1 4.17Å; E153-Y158 HydrophobicContact CG-CE1 3.66Å; E153-Y158 WeakPolarHBondContact OE1-CE1 3.42Å; E153-Y158 PolarHBondContact OE1-OH 2.88Å
154W87.3Confident95.3Very high212 Ų21281.8 Ų81.880%0.80341%0.406SS*.EExtended strand (participates in β ladder)trans-128.9104.1175.9-172.2-100.5000110D156 M157W154-D156 PolarHBondContact O-N 2.65Å; W154-D156 VanDerWaalsContact O-N 3.12Å; W154-M157 PolarHBondContact N-O 2.84Å; W154-M157 PolarHBondContact O-N 2.73Å; W154-M157 VanDerWaalsContact O-N 3.09Å
155S88.1Confident95.4Very high96 Ų9681.5 Ų81.567%0.67141%0.405SS*.THydrogen-bonded Turntrans58.9-106.6-169.9-165.90000111.2
156D89.6Confident95.3Very high85 Ų8580.5 Ų80.546%0.45540%0.4SS..THydrogen-bonded Turntrans-112.512.5179.6-57.4-58.3000112.5I75 K131 W154I75-D156 HydrophobicContact CG2-CB 4.25Å; K131-D156 VanDerWaalsContact CD-O 3.31Å; K131-D156 WeakPolarHBondContact CD-O 3.07Å; W154-D156 PolarHBondContact O-N 2.65Å; W154-D156 VanDerWaalsContact O-N 3.12Å
157M93.8Very high95.3Very high47 Ų4776.2 Ų76.223%0.23238%0.382CS..EExtended strand (participates in β ladder)trans-122.6158.8-175.7-57.4-176.977.600110.5I75 V101 A129 W154I75-M157 HydrophobicContact CD1-CG 4.02Å; I75-M157 HydrophobicContact CD1-SD 4.04Å; V101-M157 HydrophobicContact CB-CE 4.2Å; V101-M157 HydrophobicContact CG1-CE 3.67Å; V101-M157 HydrophobicContact CG2-CE 4.45Å; A129-M157 VanDerWaalsContact C-CE 3.46Å; A129-M157 HydrophobicContact CB-CE 3.59Å; A129-M157 WeakPolarHBondContact O-CE 3.47Å; W154-M157 PolarHBondContact N-O 2.84Å; W154-M157 PolarHBondContact O-N 2.73Å; W154-M157 VanDerWaalsContact O-N 3.09Å
158Y95.6Very high95.2Very high62 Ų6274.9 Ų74.924%0.24337%0.368CS..EExtended strand (participates in β ladder)trans-123.6134.6-175.4-57.7-81.2000111A129 S130 A133 V151 E152 E153A129-Y158 PolarHBondContact N-O 2.86Å; S130-Y158 PolarHBondContact N-O 2.77Å; S130-Y158 PolarHBondContact O-N 3.5Å; S130-Y158 PolarHBondContact OG-O 3.38Å; A133-Y158 HydrophobicContact CB-CD1 4.12Å; A133-Y158 HydrophobicContact CB-CD2 4.07Å; A133-Y158 HydrophobicContact CB-CG 3.68Å; A133-Y158 VanDerWaalsContact N-CD2 3.27Å; V151-Y158 HydrophobicContact CG1-CD1 3.85Å; V151-Y158 HydrophobicContact CG1-CG 4.46Å; E152-Y158 WeakPolarHBondContact O-CA 3.36Å; E153-Y158 HydrophobicContact CB-CD1 4.06Å; E153-Y158 HydrophobicContact CB-CE1 3.9Å; E153-Y158 HydrophobicContact CG-CD1 4.17Å; E153-Y158 HydrophobicContact CG-CE1 3.66Å; E153-Y158 WeakPolarHBondContact OE1-CE1 3.42Å; E153-Y158 PolarHBondContact OE1-OH 2.88Å
159T96Very high95.1Very high32 Ų3271 Ų7120%0.19635%0.352CS..EExtended strand (participates in β ladder)trans-105.6126.6163.2-65.70000107.7T126 A127 M128 E152T126-T159 HydrophobicContact CG2-CG2 3.64Å; A127-T159 WeakPolarHBondContact O-CA 3.32Å; M128-T159 HydrophobicContact CG-CG2 4.13Å; E152-T159 PolarHBondContact N-O 3.47Å; E152-T159 PolarHBondContact O-N 2.83Å
160V97.1Very high95Very high2 Ų270.5 Ų70.51%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-114.5123.9178.5-174.50000108T126 A127 A133 T134 I136 E150 V151T126-V160 WeakPolarHBondContact CA-O 3.34Å; A127-V160 PolarHBondContact N-O 3.12Å; A127-V160 PolarHBondContact O-N 2.96Å; A133-V160 HydrophobicContact CB-CG2 4.12Å; T134-V160 HydrophobicContact CG2-CB 4.12Å; T134-V160 HydrophobicContact CG2-CG2 4.1Å; I136-V160 HydrophobicContact CD1-CB 4.21Å; I136-V160 HydrophobicContact CD1-CG1 3.93Å; I136-V160 WeakPolarHBondContact CD1-O 3.35Å; I136-V160 HydrophobicContact CG1-CG1 4.21Å; E150-V160 WeakPolarHBondContact O-CA 3.28Å; V151-V160 HydrophobicContact CG1-CG2 4.29Å; V151-V160 HydrophobicContact CG2-CG1 4.27Å; V151-V160 HydrophobicContact CG2-CG2 4.12Å
161T97.4Very high94.8Very high39 Ų3969.3 Ų69.324%0.23934%0.336CS..EExtended strand (participates in β ladder)trans-115.5126.3174-61.90000108.8N124 C125 T126 S149 E150N124-T161 HydrophobicContact CB-CG2 4.44Å; C125-T161 CarbonylContact O-C 3.6Å; C125-T161 VanDerWaalsContact O-CA 3.31Å; C125-T161 WeakPolarHBondContact O-CA 3.48Å; T126-T161 WeakPolarHBondContact CG2-OG1 3.49Å; T126-T161 WeakPolarHBondContact OG1-CG2 3.33Å; T126-T161 PolarHBondContact OG1-OG1 3Å; T126-T161 VanDerWaalsContact OG1-OG1 3.04Å; S149-T161 CarbonylContact C-O 3.56Å; S149-T161 WeakPolarHBondContact CA-O 3.26Å; E150-T161 PolarHBondContact N-O 3.4Å; E150-T161 PolarHBondContact O-N 2.93Å
162S98.1Very high94.6Very high1 Ų166 Ų661%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-108.7130.4173.2-1630000109.9N124 C125 I136 W138 K148 S149N124-S162 CarbonylContact C-O 3.42Å; N124-S162 WeakPolarHBondContact CA-O 3.39Å; C125-S162 PolarHBondContact N-O 2.82Å; C125-S162 PolarHBondContact O-N 2.83Å; I136-S162 VanDerWaalsContact CG2-CB 3.49Å; W138-S162 WeakPolarHBondContact CZ2-O 3.32Å; W138-S162 PolarHBondContact NE1-OG 2.97Å; K148-S162 CarbonylContact O-C 3.54Å; K148-S162 WeakPolarHBondContact O-CA 2.84Å; S149-S162 WeakPolarHBondContact OG-CB 3.29Å; S149-S162 PolarHBondContact OG-OG 3.24Å
163Q98Very high94.6Very high70 Ų7062 Ų6233%0.32730%0.298SS..EExtended strand (participates in β ladder)trans-102.6131.1175.1-178.3-176.777.600110.2E122 N124 G147 K148E122-Q163 HydrophobicContact CG-CG 3.7Å; E122-Q163 PolarHBondContact OE1-NE2 2.87Å; E122-Q163 PolarHBondContact OE2-NE2 2.75Å; N124-Q163 WeakPolarHBondContact OD1-CA 3.36Å; N124-Q163 WeakPolarHBondContact OD1-CB 3.27Å; N124-Q163 WeakPolarHBondContact OD1-CG 3.29Å; G147-Q163 CarbonylContact C-O 3.55Å; G147-Q163 WeakPolarHBondContact CA-O 3.4Å; K148-Q163 PolarHBondContact N-O 3.21Å; K148-Q163 PolarHBondContact O-N 2.78Å
164L97.3Very high94.5Very high5 Ų558.2 Ų58.23%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-118.7121175.217467.8000109.5V123 W138 L145 L166 V177V123-L164 HydrophobicContact CB-CB 4.37Å; V123-L164 PolarHBondContact N-O 3.38Å; V123-L164 PolarHBondContact O-N 2.83Å; W138-L164 HydrophobicContact CB-CD2 4.31Å; W138-L164 HydrophobicContact CD2-CB 4.07Å; W138-L164 HydrophobicContact CD2-CD2 3.93Å; W138-L164 HydrophobicContact CE3-CD2 3.98Å; W138-L164 HydrophobicContact CG-CB 4.33Å; W138-L164 HydrophobicContact CG-CD2 4.12Å; W138-L164 HydrophobicContact CZ2-CB 4.09Å; L145-L164 HydrophobicContact CB-CD1 3.91Å; L145-L164 HydrophobicContact CB-CD2 4.49Å; L145-L164 HydrophobicContact CD1-CD1 4.34Å; L145-L164 HydrophobicContact CD1-CD2 3.81Å; L164-L166 HydrophobicContact CG-CB 4.41Å; L164-V177 HydrophobicContact CD2-CG1 4.06Å
165M96.4Very high94.7Very high90 Ų9050 Ų5044%0.44327%0.265SS..EExtended strand (participates in β ladder)trans-91.8117.6167.5-62.6-58.3-68.700108.7E120 I121 E122E120-M165 HydrophobicContact CG-CB 4.45Å; E120-M165 HydrophobicContact CG-CE 4.06Å; I121-M165 WeakPolarHBondContact O-CA 3.38Å; E122-M165 HydrophobicContact CB-SD 3.91Å; E122-M165 HydrophobicContact CG-SD 3.95Å
166L94.3Very high95Very high13 Ų1346.8 Ų46.87%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-126118.2-174.2-179.165.2000110.9E120 I121 K140 L145 L164 V168 V177 L196E120-L166 WeakPolarHBondContact CA-O 3.33Å; I121-L166 HydrophobicContact CG1-CB 4.23Å; I121-L166 WeakPolarHBondContact CG1-O 3.38Å; I121-L166 PolarHBondContact N-O 3Å; I121-L166 PolarHBondContact O-N 3.26Å; K140-L166 HydrophobicContact CD-CD2 4.46Å; L145-L166 HydrophobicContact CD1-CD1 4.25Å; L164-L166 HydrophobicContact CG-CB 4.41Å; L166-V168 HydrophobicContact CD2-CG1 4.5Å; L166-V168 HydrophobicContact CG-CG1 4.49Å; L166-V168 PolarHBondContact O-N 3.3Å; L166-V177 HydrophobicContact CD2-CG2 4.13Å; L166-L196 HydrophobicContact CD2-CD1 3.75Å
167K95.5Very high95.3Very high116 Ų11642.8 Ų42.850%0.50422%0.221SC..EExtended strand (participates in β ladder)trans-76.1119.6165.7-169.9173.2-174.6173.30109.8G118 E119G118-K167 VanDerWaalsContact O-CE 3.3Å; G118-K167 WeakPolarHBondContact O-CE 3.35Å; E119-K167 CarbonylContact O-C 3.53Å; E119-K167 WeakPolarHBondContact O-CA 3.39Å
168V94.9Very high95.4Very high0 Ų041.7 Ų41.70%022%0.216CC..  trans-89.9142.9-175.1-650000112.3A115 V116 G118 E119 I121 L166 V198A115-V168 HydrophobicContact CB-CB 4.48Å; A115-V168 HydrophobicContact CB-CG1 4.25Å; A115-V168 HydrophobicContact CB-CG2 3.68Å; V116-V168 VanDerWaalsContact O-CG2 3.27Å; V116-V168 WeakPolarHBondContact O-CG2 3.36Å; G118-V168 PolarHBondContact N-O 3.37Å; E119-V168 HydrophobicContact CB-CG2 4.28Å; E119-V168 WeakPolarHBondContact O-CG2 3.38Å; E119-V168 PolarHBondContact O-N 3.3Å; I121-V168 HydrophobicContact CD1-CG1 3.69Å; I121-V168 HydrophobicContact CG1-CG1 3.89Å; L166-V168 HydrophobicContact CD2-CG1 4.5Å; L166-V168 HydrophobicContact CG-CG1 4.49Å; L166-V168 PolarHBondContact O-N 3.3Å; V168-V198 HydrophobicContact CB-CG1 4.38Å; V168-V198 HydrophobicContact CB-CG2 4.07Å; V168-V198 HydrophobicContact CG1-CG2 4.4Å; V168-V198 HydrophobicContact CG2-CG1 4.2Å
169H95Very high95.5Very high81 Ų8138.8 Ų38.838%0.37520%0.204SC..  trans-121.8163.5172.3-64-77.6000110.9E171 D172H169-E171 VanDerWaalsContact CB-OE2 3.26Å; H169-E171 WeakPolarHBondContact CB-OE2 3.31Å; H169-E171 PolarHBondContact O-N 3.18Å; H169-D172 PolarHBondContact N-OD2 2.88Å; H169-D172 VanDerWaalsContact O-CB 3.31Å; H169-D172 WeakPolarHBondContact O-CB 3.22Å; H169-D172 PolarHBondContact O-N 2.98Å
170K94.6Very high95.5Very high51 Ų5138.7 Ų38.722%0.22220%0.202CC..G310 helixtrans-59.6-28178.566.4176.6-173.7169.60112.8D172 D173 Y200K170-D172 PolarHBondContact O-N 2.97Å; K170-D173 WeakPolarHBondContact O-CB 3.28Å; K170-D173 PolarHBondContact O-N 2.79Å; K170-Y200 HydrophobicContact CB-CD1 3.58Å; K170-Y200 HydrophobicContact CB-CD2 4.24Å; K170-Y200 HydrophobicContact CB-CE1 4.06Å; K170-Y200 HydrophobicContact CB-CG 3.68Å
171E93.9Very high95.4Very high120 Ų12038.8 Ų38.856%0.56120%0.202SC*.G310 helixtrans-71.9-15.3177.4-59.477.2-164.600112.7H169 D173 V175H169-E171 VanDerWaalsContact CB-OE2 3.26Å; H169-E171 WeakPolarHBondContact CB-OE2 3.31Å; H169-E171 PolarHBondContact O-N 3.18Å; E171-D173 VanDerWaalsContact C-N 3.3Å; E171-V175 VanDerWaalsContact O-CG2 3.28Å; E171-V175 WeakPolarHBondContact O-CG2 3.08Å
172D93.4Very high95.3Very high15 Ų1540.8 Ų40.88%0.0821%0.209CC..G310 helixtrans-83.8-8.9176.6-62.5-39.1000112.4K140 H169 K170 G174 V175 L196 V198K140-D172 WeakPolarHBondContact CE-OD1 3.34Å; K140-D172 IonicContact NZ-OD1 2.68Å; K140-D172 PolarHBondContact NZ-OD1 2.95Å; K140-D172 IonicContact NZ-OD2 3.18Å; K140-D172 PolarHBondContact NZ-OD2 3.2Å; H169-D172 PolarHBondContact N-OD2 2.88Å; H169-D172 VanDerWaalsContact O-CB 3.31Å; H169-D172 WeakPolarHBondContact O-CB 3.22Å; H169-D172 PolarHBondContact O-N 2.98Å; K170-D172 PolarHBondContact O-N 2.97Å; D172-G174 PolarHBondContact O-N 3.48Å; D172-V175 WeakPolarHBondContact O-CB 3.34Å; D172-V175 PolarHBondContact O-N 2.79Å; D172-L196 HydrophobicContact CB-CD1 4Å; D172-V198 HydrophobicContact CB-CG2 4.38Å
173D94.7Very high95.2Very high42 Ų4241.4 Ų41.423%0.22521%0.211CC..THydrogen-bonded Turntrans-61.1124.7178-169.851000111.4K170 E171 V175 V198 K231K170-D173 WeakPolarHBondContact O-CB 3.28Å; K170-D173 PolarHBondContact O-N 2.79Å; E171-D173 VanDerWaalsContact C-N 3.3Å; D173-V175 PolarHBondContact O-N 2.81Å; D173-V198 HydrophobicContact CB-CB 4.08Å; D173-V198 PolarHBondContact OD1-N 2.89Å; D173-K231 IonicContact OD1-NZ 3.88Å; D173-K231 PolarHBondContact OD1-NZ 2.82Å; D173-K231 WeakPolarHBondContact OD2-CD 3.35Å; D173-K231 WeakPolarHBondContact OD2-CE 3.36Å; D173-K231 IonicContact OD2-NZ 3.03Å; D173-K231 PolarHBondContact OD2-NZ 2.94Å
174G92.6Very high95.1Very high43 Ų4342.3 Ų42.344%0.44322%0.224SC..THydrogen-bonded Turntrans70.57.4-175.900000114.5D172 Y195 L196D172-G174 PolarHBondContact O-N 3.48Å; G174-Y195 VanDerWaalsContact O-CD1 3.32Å; G174-Y195 WeakPolarHBondContact O-CD1 3.28Å; G174-L196 PolarHBondContact N-O 2.73Å
175V92.6Very high95Very high40 Ų4042.6 Ų42.624%0.24223%0.226CC..PPolyproline II helixtrans-87.7131.4173.8-1790000109.4K140 E171 D172 D173 L196K140-V175 HydrophobicContact CG-CG1 3.82Å; E171-V175 VanDerWaalsContact O-CG2 3.28Å; E171-V175 WeakPolarHBondContact O-CG2 3.08Å; D172-V175 WeakPolarHBondContact O-CB 3.34Å; D172-V175 PolarHBondContact O-N 2.79Å; D173-V175 PolarHBondContact O-N 2.81Å; V175-L196 PolarHBondContact O-N 2.93Å
176P94.6Very high94.8Very high29 Ų2940 Ų4019%0.18822%0.216CC..EExtended strand (participates in β ladder)trans-76.7133.8177.829.7-32.7000111.6I178 Q193 R194 Y195P176-I178 HydrophobicContact CB-CG1 4.39Å; P176-Q193 HydrophobicContact CB-CB 4.27Å; P176-R194 CarbonylContact C-O 3.58Å; P176-R194 WeakPolarHBondContact CA-O 3.36Å; P176-Y195 HydrophobicContact CB-CD1 3.95Å; P176-Y195 HydrophobicContact CB-CE1 3.85Å; P176-Y195 HydrophobicContact CG-CD1 4.41Å; P176-Y195 HydrophobicContact CG-CE1 4.02Å
177V95.4Very high94.3Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-89.2124.9158.7179.20000107.5W138 L164 L166 Q193 R194 L196W138-V177 HydrophobicContact CE3-CG1 3.51Å; W138-V177 HydrophobicContact CZ3-CG1 3.61Å; L164-V177 HydrophobicContact CD2-CG1 4.06Å; L166-V177 HydrophobicContact CD2-CG2 4.13Å; V177-Q193 VanDerWaalsContact O-CA 3.29Å; V177-Q193 WeakPolarHBondContact O-CA 3.09Å; V177-R194 PolarHBondContact N-O 2.76Å; V177-R194 PolarHBondContact O-N 2.8Å; V177-L196 HydrophobicContact CG2-CD1 3.69Å; V177-L196 HydrophobicContact CG2-CD2 3.95Å; V177-L196 HydrophobicContact CG2-CG 3.82Å
178I96.8Very high93.9Very high25 Ų2543.5 Ų43.513%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-110.4128.9-174.1-58.3171.8000108.3W138 F139 P176 Q191 T192 Q193W138-I178 CarbonylContact C-O 3.25Å; W138-I178 WeakPolarHBondContact CA-O 3.42Å; F139-I178 HydrophobicContact CB-CB 4.16Å; F139-I178 PolarHBondContact N-O 2.95Å; F139-I178 PolarHBondContact O-N 2.84Å; P176-I178 HydrophobicContact CB-CG1 4.39Å; I178-Q191 HydrophobicContact CG2-CB 4.05Å; I178-Q191 HydrophobicContact CG2-CG 4.44Å; I178-Q191 VanDerWaalsContact CG2-OE1 3.27Å; I178-T192 WeakPolarHBondContact CA-O 3.3Å; I178-Q193 HydrophobicContact CG1-CB 3.97Å
179C96.8Very high93.4Very high0 Ų049.2 Ų49.20%029%0.289CS..EExtended strand (participates in β ladder)trans-102.1112.9167.41740000108.3I108 C125 I136 W138 Q191 T192I108-C179 HydrophobicContact CD1-CB 3.71Å; I108-C179 HydrophobicContact CG1-CB 3.86Å; C125-C179 HydrophobicContact CB-CB 3.57Å; C125-C179 WeakPolarHBondContact CB-SG 3.15Å; C125-C179 WeakPolarHBondContact SG-CB 3.38Å; C125-C179 CovalentContact SG-SG 2.02Å; C125-C179 PolarHBondContact SG-SG 3.16Å; I136-C179 WeakPolarHBondContact CG2-SG 2.99Å; W138-C179 HydrophobicContact CE3-CB 4.25Å; W138-C179 HydrophobicContact CH2-CB 4.43Å; W138-C179 HydrophobicContact CZ3-CB 4.02Å; C179-Q191 CarbonylContact O-C 3.52Å; C179-Q191 WeakPolarHBondContact O-CA 3.42Å; C179-Q191 WeakPolarHBondContact O-CB 3.36Å; C179-T192 HydrophobicContact CB-CG2 4.02Å; C179-T192 PolarHBondContact N-O 2.89Å; C179-T192 PolarHBondContact O-N 3.47Å
180Q95.6Very high93.3Very high31 Ų3147.9 Ų47.915%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-105.3141.9176.5-179.1176.3-2800110.1R137 F139 Q191R137-Q180 PolarHBondContact N-O 2.97Å; R137-Q180 PolarHBondContact O-N 3.36Å; F139-Q180 HydrophobicContact CD2-CB 4.05Å; F139-Q180 HydrophobicContact CE2-CB 3.88Å; Q180-Q191 HydrophobicContact CB-CB 4.19Å; Q180-Q191 HydrophobicContact CG-CB 4.44Å
181V95.8Very high93.3Very high3 Ų350 Ų502%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-124.5129.8-171.7177.30000110.7P103 L106 A127 T134 T135 I136 L190P103-V181 HydrophobicContact CG-CG1 3.84Å; L106-V181 HydrophobicContact CD1-CB 4.07Å; L106-V181 HydrophobicContact CD1-CG2 3.54Å; L106-V181 HydrophobicContact CD2-CB 4.3Å; L106-V181 HydrophobicContact CD2-CG1 4.42Å; L106-V181 HydrophobicContact CD2-CG2 3.58Å; L106-V181 HydrophobicContact CG-CG2 4.2Å; A127-V181 HydrophobicContact CB-CG2 4.46Å; T134-V181 HydrophobicContact CG2-CG1 3.6Å; T134-V181 WeakPolarHBondContact OG1-CG1 3.38Å; T135-V181 WeakPolarHBondContact O-CA 3.49Å; I136-V181 HydrophobicContact CG1-CG2 4.23Å; V181-L190 HydrophobicContact CG1-CD2 4.49Å; V181-L190 PolarHBondContact N-O 2.86Å
182E94.8Very high93.4Very high81 Ų8146.2 Ų46.238%0.37928%0.28SS..EExtended strand (participates in β ladder)trans-109123.3177.9-63.5178.5-176.900109.9T134 T135 R137T134-E182 PolarHBondContact OG1-O 2.68Å; T135-E182 PolarHBondContact N-O 2.83Å; T135-E182 PolarHBondContact O-N 3.03Å; R137-E182 WeakPolarHBondContact CD-OE1 3.27Å; R137-E182 IonicContact CZ-OE1 3.21Å; R137-E182 IonicContact NE-OE1 2.95Å; R137-E182 IonicContact NH1-OE1 3.17Å; R137-E182 PolarHBondContact NH1-OE1 3.07Å
183H96.4Very high93.5Very high14 Ų1449.7 Ų49.77%0.06530%0.296CS..  trans-149.9138.8-178.3-172.6-91.3000110.6V101 K131 P132 A185 V186V101-H183 PolarHBondContact O-CE1 2.84Å; V101-H183 PolarHBondContact O-NE2 2.85Å; K131-H183 PolarHBondContact O-CE1 3.42Å; K131-H183 VanDerWaalsContact O-CE1 3.3Å; K131-H183 PolarHBondContact O-NE2 2.9Å; P132-H183 PolarHBondContact O-CD2 2.66Å; P132-H183 VanDerWaalsContact O-CD2 3.32Å; P132-H183 PolarHBondContact O-NE2 2.97Å; H183-A185 VanDerWaalsContact ND1-CB 3.35Å; H183-A185 WeakPolarHBondContact ND1-CB 3.03Å; H183-A185 PolarHBondContact ND1-N 2.69Å; H183-A185 VanDerWaalsContact ND1-N 3.11Å; H183-A185 PolarHBondContact O-N 2.95Å; H183-A185 VanDerWaalsContact O-N 3.16Å; H183-V186 HydrophobicContact CB-CB 4.34Å; H183-V186 HydrophobicContact CB-CG2 3.89Å; H183-V186 PolarHBondContact O-N 3.27Å
184P95.8Very high93.5Very high90 Ų9054.5 Ų54.558%0.58431%0.311SS*.THydrogen-bonded Turntrans-63.1-23.4-175.424.2-35.5000114.7L100 P132L100-P184 HydrophobicContact CD1-CB 4Å; L100-P184 HydrophobicContact CD1-CG 4.1Å; L100-P184 HydrophobicContact CD2-CG 4.16Å; P132-P184 HydrophobicContact CG-CG 3.82Å
185A94.9Very high93.6Very high10 Ų1059.2 Ų59.28%0.08332%0.317CS..THydrogen-bonded Turntrans-84.7-3.9174.700000114.6I14 L100 P102 H183I14-A185 HydrophobicContact CD1-CB 3.85Å; I14-A185 WeakPolarHBondContact CD1-O 3.41Å; I14-A185 HydrophobicContact CG1-CB 3.75Å; I14-A185 HydrophobicContact CG2-CB 4.27Å; L100-A185 HydrophobicContact CB-CB 3.74Å; L100-A185 HydrophobicContact CD1-CB 4.08Å; P102-A185 HydrophobicContact CB-CB 4.09Å; P102-A185 HydrophobicContact CG-CB 4.35Å; H183-A185 VanDerWaalsContact ND1-CB 3.35Å; H183-A185 WeakPolarHBondContact ND1-CB 3.03Å; H183-A185 PolarHBondContact ND1-N 2.69Å; H183-A185 VanDerWaalsContact ND1-N 3.11Å; H183-A185 PolarHBondContact O-N 2.95Å; H183-A185 VanDerWaalsContact O-N 3.16Å
186V92.7Very high93.6Very high36 Ų3657.6 Ų57.622%0.21831%0.306CS..  trans-102120.8-177.1173.90000108.8P102 H183 L190P102-V186 HydrophobicContact CB-CG2 3.88Å; H183-V186 HydrophobicContact CB-CB 4.34Å; H183-V186 HydrophobicContact CB-CG2 3.89Å; H183-V186 PolarHBondContact O-N 3.27Å; V186-L190 HydrophobicContact CG1-CB 3.64Å; V186-L190 HydrophobicContact CG2-CB 4.49Å; V186-L190 HydrophobicContact CG2-CD2 4.02Å
187T84.6Confident93.6Very high148 Ų14860 Ų6091%0.90832%0.315SS*.  trans-97.2104.2172510000109.1
188G85.6Confident93.6Very high55 Ų5560 Ų6057%0.56732%0.315SS*.SBendtrans109.2-165.7-177.900000113.8L190G188-L190 PolarHBondContact O-N 2.84Å
189N84.8Confident93.7Very high120 Ų12060.7 Ų60.764%0.64232%0.318SS*.  trans-93.896.6-173.8-63.1-7.4000110Q191N189-Q191 PolarHBondContact O-N 2.84Å
190L92.7Very high93.7Very high53 Ų5362.5 Ų62.528%0.27733%0.325SS..EExtended strand (participates in β ladder)trans-80.4115167-17965.9000108.5P103 L106 V181 V186 G188P103-L190 HydrophobicContact CG-CD2 3.81Å; L106-L190 HydrophobicContact CD1-CD1 4.42Å; L106-L190 HydrophobicContact CD1-CD2 4.38Å; L106-L190 HydrophobicContact CD1-CG 3.85Å; L106-L190 HydrophobicContact CG-CG 4.45Å; V181-L190 HydrophobicContact CG1-CD2 4.49Å; V181-L190 PolarHBondContact N-O 2.86Å; V186-L190 HydrophobicContact CG1-CB 3.64Å; V186-L190 HydrophobicContact CG2-CB 4.49Å; V186-L190 HydrophobicContact CG2-CD2 4.02Å; G188-L190 PolarHBondContact O-N 2.84Å
191Q95.1Very high93.8Very high94 Ų9466.3 Ų66.344%0.43934%0.341SS..EExtended strand (participates in β ladder)trans-148.7159-177.163.6-176.5-8.600111.5I178 C179 Q180 N189I178-Q191 HydrophobicContact CG2-CB 4.05Å; I178-Q191 HydrophobicContact CG2-CG 4.44Å; I178-Q191 VanDerWaalsContact CG2-OE1 3.27Å; C179-Q191 CarbonylContact O-C 3.52Å; C179-Q191 WeakPolarHBondContact O-CA 3.42Å; C179-Q191 WeakPolarHBondContact O-CB 3.36Å; Q180-Q191 HydrophobicContact CB-CB 4.19Å; Q180-Q191 HydrophobicContact CG-CB 4.44Å; N189-Q191 PolarHBondContact O-N 2.84Å
192T95.6Very high93.8Very high41 Ų4166.4 Ų66.425%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-134.1161169.4-172.40000109.3L106 I108 I178 C179L106-T192 HydrophobicContact CB-CG2 3.52Å; L106-T192 HydrophobicContact CD1-CG2 4.28Å; I108-T192 HydrophobicContact CD1-CG2 3.76Å; I108-T192 HydrophobicContact CG1-CG2 3.71Å; I178-T192 WeakPolarHBondContact CA-O 3.3Å; C179-T192 HydrophobicContact CB-CG2 4.02Å; C179-T192 PolarHBondContact N-O 2.89Å; C179-T192 PolarHBondContact O-N 3.47Å
193Q95.6Very high93.9Very high89 Ų8967.7 Ų67.742%0.41635%0.348SS..EExtended strand (participates in β ladder)trans-143.5150.1-175.267.5-178.87.300112.8P176 V177 I178P176-Q193 HydrophobicContact CB-CB 4.27Å; V177-Q193 VanDerWaalsContact O-CA 3.29Å; V177-Q193 WeakPolarHBondContact O-CA 3.09Å; I178-Q193 HydrophobicContact CG1-CB 3.97Å
194R95.1Very high93.9Very high143 Ų14368.1 Ų68.154%0.5435%0.351SS..EExtended strand (participates in β ladder)trans-134.3136.6171.4-78.2-66.6-164.3-179.93.1110.4I108 I110 P176 V177I108-R194 HydrophobicContact CB-CB 4.41Å; I108-R194 HydrophobicContact CB-CG 3.67Å; I108-R194 HydrophobicContact CD1-CG 4.4Å; I108-R194 HydrophobicContact CG2-CB 3.97Å; I108-R194 HydrophobicContact CG2-CG 3.64Å; I110-R194 HydrophobicContact CD1-CB 3.9Å; P176-R194 CarbonylContact C-O 3.58Å; P176-R194 WeakPolarHBondContact CA-O 3.36Å; V177-R194 PolarHBondContact N-O 2.76Å; V177-R194 PolarHBondContact O-N 2.8Å
195Y93.9Very high94Very high142 Ų14268.8 Ų68.856%0.55735%0.346SS*.EExtended strand (participates in β ladder)trans-83.3136.2176.3-64.5-82.9000110.1G174 P176G174-Y195 VanDerWaalsContact O-CD1 3.32Å; G174-Y195 WeakPolarHBondContact O-CD1 3.28Å; P176-Y195 HydrophobicContact CB-CD1 3.95Å; P176-Y195 HydrophobicContact CB-CE1 3.85Å; P176-Y195 HydrophobicContact CG-CD1 4.41Å; P176-Y195 HydrophobicContact CG-CE1 4.02Å
196L93.1Very high94Very high5 Ų569 Ų693%0.02635%0.346CS..  trans-81.1139174.2-60.9174.8000110.2I110 I121 L166 D172 G174 V175 V177 V198I110-L196 HydrophobicContact CD1-CD2 4.24Å; I121-L196 HydrophobicContact CD1-CD2 3.8Å; L166-L196 HydrophobicContact CD2-CD1 3.75Å; D172-L196 HydrophobicContact CB-CD1 4Å; G174-L196 PolarHBondContact N-O 2.73Å; V175-L196 PolarHBondContact O-N 2.93Å; V177-L196 HydrophobicContact CG2-CD1 3.69Å; V177-L196 HydrophobicContact CG2-CD2 3.95Å; V177-L196 HydrophobicContact CG2-CG 3.82Å; L196-V198 HydrophobicContact CB-CG2 4.22Å
197E94.6Very high94.2Very high79 Ų7971 Ų7137%0.36935%0.353SS..  trans-110.5107.5171.8-179.171.9-171.300107.6D113 T114 A115 K231D113-E197 WeakPolarHBondContact O-CB 3.5Å; T114-E197 HydrophobicContact CG2-CG 4Å; A115-E197 PolarHBondContact N-O 2.84Å; E197-K231 VanDerWaalsContact CD-CE 3.44Å; E197-K231 WeakPolarHBondContact OE1-CE 3.23Å; E197-K231 IonicContact OE1-NZ 3.67Å; E197-K231 PolarHBondContact OE1-NZ 3.31Å; E197-K231 IonicContact OE2-NZ 3.11Å; E197-K231 PolarHBondContact OE2-NZ 3.09Å
198V96.3Very high94.6Very high0 Ų066.3 Ų66.30%032%0.321CS..EExtended strand (participates in β ladder)trans-117.7119.4-174.9-1720000110.4A115 E117 V168 D172 D173 L196 Y200 K231A115-V198 CarbonylContact O-C 3.5Å; A115-V198 WeakPolarHBondContact O-CA 3.25Å; E117-V198 HydrophobicContact CB-CG1 4.41Å; V168-V198 HydrophobicContact CB-CG1 4.38Å; V168-V198 HydrophobicContact CB-CG2 4.07Å; V168-V198 HydrophobicContact CG1-CG2 4.4Å; V168-V198 HydrophobicContact CG2-CG1 4.2Å; D172-V198 HydrophobicContact CB-CG2 4.38Å; D173-V198 HydrophobicContact CB-CB 4.08Å; D173-V198 PolarHBondContact OD1-N 2.89Å; L196-V198 HydrophobicContact CB-CG2 4.22Å; V198-Y200 WeakPolarHBondContact O-CD1 3.27Å; V198-K231 WeakPolarHBondContact O-CD 3.33Å
199Q97.1Very high95Very high41 Ų4165.5 Ų65.519%0.19231%0.306CS..EExtended strand (participates in β ladder)trans-90.5139.2172.6-64.7-174.8-3.400110.7T114 A115 V116 E117 K231 V278T114-Q199 HydrophobicContact CG2-CG 3.63Å; A115-Q199 PolarHBondContact O-N 3.06Å; V116-Q199 CarbonylContact C-O 3.55Å; V116-Q199 WeakPolarHBondContact CA-O 3.36Å; E117-Q199 PolarHBondContact N-O 3.49Å; Q199-K231 CarbonylContact C-O 3.57Å; Q199-K231 WeakPolarHBondContact CA-O 3.41Å; Q199-K231 VanDerWaalsContact CB-O 3.32Å; Q199-K231 WeakPolarHBondContact CB-O 3.31Å; Q199-V278 HydrophobicContact CB-CG2 3.66Å
200Y97.8Very high95.4Very high37 Ų3765.6 Ų65.615%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-143.2156.8-178.251.3-90.6000111.4E117 K170 V198 K231 N276E117-Y200 WeakPolarHBondContact OE2-CB 3.35Å; K170-Y200 HydrophobicContact CB-CD1 3.58Å; K170-Y200 HydrophobicContact CB-CD2 4.24Å; K170-Y200 HydrophobicContact CB-CE1 4.06Å; K170-Y200 HydrophobicContact CB-CG 3.68Å; V198-Y200 WeakPolarHBondContact O-CD1 3.27Å; Y200-K231 HydrophobicContact CD1-CB 3.84Å; Y200-K231 HydrophobicContact CE1-CB 3.41Å; Y200-K231 VanDerWaalsContact CE1-CB 3.41Å; Y200-K231 HydrophobicContact CE1-CD 4.34Å; Y200-K231 HydrophobicContact CE1-CG 4.49Å; Y200-K231 HydrophobicContact CE2-CB 4.31Å; Y200-K231 HydrophobicContact CG-CB 4.45Å; Y200-K231 PolarHBondContact N-O 2.84Å; Y200-K231 PolarHBondContact O-N 3.34Å; Y200-K231 VanDerWaalsContact O-O 3.04Å; Y200-N276 PolarHBondContact O-ND2 3.21Å
201K96.8Very high95.2Very high112 Ų11264 Ų6449%0.48729%0.29SS..EExtended strand (participates in β ladder)trans-64.2156.5178.5-63.9-178.6-176.6172.60110.5V278K201-V278 HydrophobicContact CG-CB 4.18Å; K201-V278 HydrophobicContact CG-CG1 3.76Å
202P97.1Very high94.5Very high5 Ų566.4 Ų66.43%0.03231%0.306CS..EExtended strand (participates in β ladder)trans-57.7146.3175-23.435.7000111.6V204 I229 P234 A274 N276 G279 A281P202-V204 HydrophobicContact CB-CG2 4.46Å; P202-I229 CarbonylContact C-O 3.6Å; P202-I229 VanDerWaalsContact CA-O 3.29Å; P202-I229 WeakPolarHBondContact CA-O 3.38Å; P202-P234 HydrophobicContact CB-CB 4.48Å; P202-P234 HydrophobicContact CB-CG 3.86Å; P202-P234 HydrophobicContact CG-CB 4.19Å; P202-P234 HydrophobicContact CG-CG 3.93Å; P202-A274 HydrophobicContact CB-CB 3.96Å; P202-A274 HydrophobicContact CG-CB 4.37Å; P202-N276 HydrophobicContact CG-CB 4.25Å; P202-G279 WeakPolarHBondContact CD-O 3.25Å; P202-A281 HydrophobicContact CB-CB 4.4Å; P202-A281 WeakPolarHBondContact O-CB 2.89Å
203Q95.9Very high93.5Very high107 Ų10773.2 Ų73.250%0.533%0.334SS..EExtended strand (participates in β ladder)trans-106123.8163.2-54.6-154.1-69.700107A228 I229Q203-A228 VanDerWaalsContact O-CA 3.31Å; Q203-A228 WeakPolarHBondContact O-CA 3.43Å; Q203-I229 PolarHBondContact N-O 2.85Å; Q203-I229 PolarHBondContact O-N 3.4Å
204V97.1Very high92.4Very high23 Ų2372 Ų7214%0.13935%0.346CS..EExtended strand (participates in β ladder)trans-111.4132.5-173.4-174.10000109.4P202 C226 E227 A228 C272 A274 A281 S283P202-V204 HydrophobicContact CB-CG2 4.46Å; V204-C226 VanDerWaalsContact CG1-SG 3.51Å; V204-E227 CarbonylContact C-O 3.59Å; V204-E227 WeakPolarHBondContact CA-O 3.42Å; V204-A228 HydrophobicContact CG2-CB 4.36Å; V204-C272 HydrophobicContact CG1-CB 4.12Å; V204-A274 HydrophobicContact CG2-CB 3.55Å; V204-A281 HydrophobicContact CG2-CB 4.02Å; V204-S283 WeakPolarHBondContact O-CB 3.49Å
205H96.9Very high91.8Very high104 Ų10469.6 Ų69.648%0.48134%0.343SS..EExtended strand (participates in β ladder)trans-132.8129.7174.1-176.157.7000109.4Q207 E227H205-Q207 VanDerWaalsContact CD2-CG 3.47Å; H205-Q207 WeakPolarHBondContact CD2-CG 3.35Å; H205-E227 IonicContact CD2-OE2 2.76Å; H205-E227 PolarHBondContact N-O 3.23Å; H205-E227 PolarHBondContact O-N 3.32Å
206I96.6Very high91.7Very high15 Ų1563.2 Ų63.28%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-95.3122.9172.6-66.8167.1000108.4L224 W239 C272 S283 Y285I206-L224 HydrophobicContact CG2-CB 4.15Å; I206-L224 HydrophobicContact CG2-CD1 4.39Å; I206-L224 HydrophobicContact CG2-CD2 4.23Å; I206-L224 HydrophobicContact CG2-CG 4.5Å; I206-W239 HydrophobicContact CB-CH2 4.26Å; I206-W239 HydrophobicContact CD1-CH2 3.58Å; I206-W239 HydrophobicContact CD1-CZ3 3.6Å; I206-W239 HydrophobicContact CG1-CH2 3.58Å; I206-W239 HydrophobicContact CG1-CZ2 4.36Å; I206-W239 HydrophobicContact CG1-CZ3 4.14Å; I206-W239 HydrophobicContact CG2-CH2 3.68Å; I206-C272 HydrophobicContact CD1-CB 3.98Å; I206-C272 HydrophobicContact CG1-CB 3.93Å; I206-S283 WeakPolarHBondContact CD1-O 3Å; I206-Y285 HydrophobicContact CG2-CD2 4.04Å; I206-Y285 HydrophobicContact CG2-CG 4.19Å
207Q94.9Very high91.6Very high77 Ų7767.3 Ų67.336%0.3633%0.334SS..EExtended strand (participates in β ladder)trans-104.2131.7168.9-64-163.65.400110.1H205 T209 L224 T225 E227H205-Q207 VanDerWaalsContact CD2-CG 3.47Å; H205-Q207 WeakPolarHBondContact CD2-CG 3.35Å; Q207-T209 PolarHBondContact O-N 2.85Å; Q207-L224 CarbonylContact O-C 3.57Å; Q207-L224 WeakPolarHBondContact O-CA 3.43Å; Q207-T225 PolarHBondContact N-O 2.89Å; Q207-T225 PolarHBondContact O-N 2.96Å; Q207-E227 VanDerWaalsContact CD-CD 3.46Å; Q207-E227 VanDerWaalsContact CD-OE1 3.31Å; Q207-E227 PolarHBondContact NE2-OE1 3.05Å; Q207-E227 VanDerWaalsContact NE2-OE1 3.12Å; Q207-E227 PolarHBondContact NE2-OE2 2.75Å
208M94.5Very high91.5Very high51 Ų5166.7 Ų66.725%0.25133%0.331SS..EExtended strand (participates in β ladder)trans-82105.3168.2-178.8-176.1-178.800108.5P211 T216 L222 L224 Y285M208-P211 HydrophobicContact CE-CG 3.52Å; M208-P211 WeakPolarHBondContact CE-O 3.49Å; M208-T216 HydrophobicContact CE-CG2 3.58Å; M208-L222 HydrophobicContact CE-CD1 3.86Å; M208-L222 HydrophobicContact CG-CD1 4.19Å; M208-L224 HydrophobicContact CB-CD2 3.86Å; M208-L224 HydrophobicContact CG-CD2 4.04Å; M208-Y285 HydrophobicContact CB-CE2 4.12Å; M208-Y285 HydrophobicContact SD-CE2 4.47Å; M208-Y285 PolarHBondContact SD-OH 2.86Å
209T93.3Very high91.3Very high38 Ų3868.7 Ų68.723%0.23335%0.352CS..EExtended strand (participates in β ladder)trans-87.3-23.1-178.145.10000112Q207 L212 E223 T225Q207-T209 PolarHBondContact O-N 2.85Å; T209-L212 WeakPolarHBondContact O-CD2 3.48Å; T209-L212 WeakPolarHBondContact O-CG 3.48Å; T209-E223 PolarHBondContact N-O 2.89Å; T209-E223 WeakPolarHBondContact OG1-CB 3.35Å; T209-E223 WeakPolarHBondContact OG1-CG 3.34Å; T209-E223 PolarHBondContact OG1-O 2.83Å; T209-T225 WeakPolarHBondContact CG2-OG1 3.27Å
210Y92.5Very high91.1Very high121 Ų12169.4 Ų69.448%0.47536%0.357SS..EExtended strand (participates in β ladder)trans-150139.5171.5-172.7-92000113.4A221 L222 E223Y210-A221 HydrophobicContact CD1-CB 4.08Å; Y210-A221 WeakPolarHBondContact CD1-O 3.36Å; Y210-A221 HydrophobicContact CE1-CB 3.91Å; Y210-A221 WeakPolarHBondContact CE1-O 3.39Å; Y210-L222 WeakPolarHBondContact O-CA 3.4Å; Y210-E223 PolarHBondContact N-O 2.86Å; Y210-E223 PolarHBondContact O-N 3.05Å
211P89Confident90.9Very high19 Ų1968.8 Ų68.812%0.12336%0.36CS..SBendcis-63.2140.8-1525.5-36.3000112.4M208 Q213 T216 A221M208-P211 HydrophobicContact CE-CG 3.52Å; M208-P211 WeakPolarHBondContact CE-O 3.49Å; P211-Q213 PolarHBondContact O-N 3Å; P211-T216 HydrophobicContact CG-CG2 4.4Å; P211-A221 WeakPolarHBondContact CD-O 3.49Å
212L81.4Confident90.9Very high146 Ų14663.6 Ų63.676%0.76434%0.337SS*.SBendtrans-63.3-26.9-179.5-71.4168.5000113.1T209T209-L212 WeakPolarHBondContact O-CD2 3.48Å; T209-L212 WeakPolarHBondContact O-CG 3.48Å
213Q74.1Confident90.8Very high183 Ų18365.6 Ų65.686%0.85535%0.346SS*.SBendtrans-149.5138.9180-63.7-174.4-8.500109.7P211P211-Q213 PolarHBondContact O-N 3Å
214G72.1Confident90.9Very high63 Ų6360.5 Ų60.565%0.64932%0.322SS*.SBendtrans113.5173.7176.800000113.5
215L82.6Confident90.8Very high93 Ų9360.4 Ų60.449%0.48732%0.322SS..  trans-82.1140.3175.5-59.9175.5000109.3R217 Y290L215-R217 PolarHBondContact O-N 2.97Å; L215-Y290 HydrophobicContact CB-CD2 3.65Å; L215-Y290 HydrophobicContact CB-CE2 3.97Å; L215-Y290 HydrophobicContact CB-CG 4.24Å; L215-Y290 HydrophobicContact CD1-CD1 4.16Å; L215-Y290 HydrophobicContact CD1-CD2 4.07Å; L215-Y290 HydrophobicContact CD1-CE1 4.19Å; L215-Y290 HydrophobicContact CD1-CE2 4.1Å; L215-Y290 HydrophobicContact CD1-CG 4.09Å; L215-Y290 HydrophobicContact CD2-CD2 4.2Å; L215-Y290 HydrophobicContact CD2-CE2 3.62Å; L215-Y290 HydrophobicContact CG-CD2 4.18Å; L215-Y290 HydrophobicContact CG-CE2 4.1Å
216T91.2Very high90.8Very high8 Ų855.8 Ų55.85%0.04930%0.301CS..  trans-67.8116168.433.10000110.1M208 P211 L222 L262 L287 Y288 V289 Y290M208-T216 HydrophobicContact CE-CG2 3.58Å; P211-T216 HydrophobicContact CG-CG2 4.4Å; T216-L222 HydrophobicContact CG2-CD1 4.04Å; T216-L262 HydrophobicContact CG2-CD1 3.84Å; T216-L287 HydrophobicContact CG2-CD1 3.99Å; T216-Y288 PolarHBondContact OG1-O 3.29Å; T216-V289 CarbonylContact O-C 3.57Å; T216-V289 WeakPolarHBondContact O-CA 3.35Å; T216-Y290 PolarHBondContact O-N 3.22Å
217R91.8Very high90.8Very high92 Ų9259 Ų5935%0.34732%0.315SS..BIsolated β-bridgetrans-105.5162178.9-56-176.1-174.6-162.23.8111.8L215 G219 D220 Y290 S292L215-R217 PolarHBondContact O-N 2.97Å; R217-G219 PolarHBondContact O-N 2.86Å; R217-D220 WeakPolarHBondContact CB-OD2 3.21Å; R217-D220 PolarHBondContact N-OD2 3.16Å; R217-D220 VanDerWaalsContact O-CB 3.32Å; R217-D220 WeakPolarHBondContact O-CB 3.41Å; R217-D220 PolarHBondContact O-N 2.79Å; R217-D220 VanDerWaalsContact O-N 3.07Å; R217-Y290 CarbonylContact C-O 3.51Å; R217-Y290 VanDerWaalsContact CA-O 3.26Å; R217-Y290 WeakPolarHBondContact CA-O 3.48Å; R217-S292 PolarHBondContact NH1-O 2.97Å
218E93.6Very high90.8Very high66 Ų6656.3 Ų56.331%0.30831%0.307SS..THydrogen-bonded Turntrans-53.9130.6168.7-72.4-176.6-174.700110.7D220 L262 K264 V289 Y290E218-D220 VanDerWaalsContact C-N 3.34Å; E218-L262 CarbonylContact C-O 3.56Å; E218-L262 WeakPolarHBondContact CA-O 3.31Å; E218-K264 WeakPolarHBondContact OE1-CD 3.28Å; E218-K264 WeakPolarHBondContact OE1-CE 3.39Å; E218-K264 WeakPolarHBondContact OE1-CG 3.37Å; E218-K264 IonicContact OE1-NZ 2.69Å; E218-K264 PolarHBondContact OE1-NZ 2.02Å; E218-V289 HydrophobicContact CB-CG1 4.43Å; E218-V289 HydrophobicContact CG-CG1 3.82Å; E218-Y290 PolarHBondContact N-O 3.11Å
219G91.1Very high90.9Very high42 Ų4258.9 Ų58.943%0.43332%0.32SS..THydrogen-bonded Turntrans89.5-14.2-17700000115.1R217 L262R217-G219 PolarHBondContact O-N 2.86Å; G219-L262 PolarHBondContact N-O 2.95Å
220D93.2Very high91Very high55 Ų5557.2 Ų57.229%0.29431%0.311SS..  trans-69.2165.2176.5-69.6-18.4000111.4R217 E218 N261 L262R217-D220 WeakPolarHBondContact CB-OD2 3.21Å; R217-D220 PolarHBondContact N-OD2 3.16Å; R217-D220 VanDerWaalsContact O-CB 3.32Å; R217-D220 WeakPolarHBondContact O-CB 3.41Å; R217-D220 PolarHBondContact O-N 2.79Å; R217-D220 VanDerWaalsContact O-N 3.07Å; E218-D220 VanDerWaalsContact C-N 3.34Å; D220-N261 WeakPolarHBondContact O-CA 3.27Å; D220-N261 PolarHBondContact O-N 2.81Å; D220-N261 VanDerWaalsContact O-N 3.1Å; D220-L262 HydrophobicContact CB-CD1 4.29Å; D220-L262 WeakPolarHBondContact O-CG 3.33Å; D220-L262 PolarHBondContact O-N 2.88Å
221A93.6Very high91.2Very high25 Ų2553.4 Ų53.421%0.20730%0.297CS..  trans-97.6150164.800000109.9Y210 P211 I259 N260Y210-A221 HydrophobicContact CD1-CB 4.08Å; Y210-A221 WeakPolarHBondContact CD1-O 3.36Å; Y210-A221 HydrophobicContact CE1-CB 3.91Å; Y210-A221 WeakPolarHBondContact CE1-O 3.39Å; P211-A221 WeakPolarHBondContact CD-O 3.49Å; A221-I259 CarbonylContact C-O 3.59Å; A221-I259 WeakPolarHBondContact CA-O 3.39Å; A221-N260 WeakPolarHBondContact CB-OD1 2.97Å
222L95.8Very high91.6Very high2 Ų254.7 Ų54.71%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-121.1131.1172.9178.466.3000109M208 Y210 T216 L224 F258 I259 L262 L287M208-L222 HydrophobicContact CE-CD1 3.86Å; M208-L222 HydrophobicContact CG-CD1 4.19Å; Y210-L222 WeakPolarHBondContact O-CA 3.4Å; T216-L222 HydrophobicContact CG2-CD1 4.04Å; L222-L224 HydrophobicContact CD1-CD2 3.83Å; L222-L224 HydrophobicContact CD1-CG 4.17Å; L222-L224 HydrophobicContact CD2-CD1 4.22Å; L222-L224 HydrophobicContact CD2-CG 4.16Å; L222-L224 HydrophobicContact CG-CD2 4.27Å; L222-L224 HydrophobicContact CG-CG 4.04Å; L222-F258 CarbonylContact O-C 3.6Å; L222-F258 WeakPolarHBondContact O-CA 3.35Å; L222-I259 HydrophobicContact CB-CB 4.37Å; L222-I259 HydrophobicContact CD2-CD1 4.38Å; L222-I259 PolarHBondContact N-O 2.69Å; L222-I259 PolarHBondContact O-N 2.82Å; L222-L262 HydrophobicContact CB-CD1 4.14Å; L222-L262 HydrophobicContact CB-CD2 4.14Å; L222-L262 HydrophobicContact CB-CG 4.38Å; L222-L287 HydrophobicContact CD2-CD1 3.76Å; L222-L287 HydrophobicContact CD2-CD2 3.71Å; L222-L287 HydrophobicContact CD2-CG 4.28Å
223E96.4Very high92.2Very high47 Ų4754.2 Ų54.222%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-123.2124.6165.4-169-176.3173.500109.3T209 Y210 N256 L257 F258T209-E223 PolarHBondContact N-O 2.89Å; T209-E223 WeakPolarHBondContact OG1-CB 3.35Å; T209-E223 WeakPolarHBondContact OG1-CG 3.34Å; T209-E223 PolarHBondContact OG1-O 2.83Å; Y210-E223 PolarHBondContact N-O 2.86Å; Y210-E223 PolarHBondContact O-N 3.05Å; E223-N256 PolarHBondContact OE1-ND2 3.21Å; E223-L257 WeakPolarHBondContact CA-O 3.36Å; E223-F258 HydrophobicContact CB-CD1 4.05Å; E223-F258 HydrophobicContact CB-CE1 4.11Å; E223-F258 VanDerWaalsContact CD-CZ 3.45Å; E223-F258 HydrophobicContact CG-CD1 3.6Å; E223-F258 HydrophobicContact CG-CE1 3.3Å; E223-F258 HydrophobicContact CG-CE2 4.49Å; E223-F258 HydrophobicContact CG-CG 4.35Å; E223-F258 HydrophobicContact CG-CZ 3.79Å; E223-F258 WeakPolarHBondContact OE1-CE1 3.34Å; E223-F258 WeakPolarHBondContact OE1-CZ 3.37Å; E223-F258 WeakPolarHBondContact OE2-CE1 3.31Å
224L96.8Very high93.1Very high0 Ų046.7 Ų46.70%027%0.266CS..EExtended strand (participates in β ladder)trans-116128.2172-58.7-179000109.1I206 Q207 M208 L222 W239 N256 L257 Y285I206-L224 HydrophobicContact CG2-CB 4.15Å; I206-L224 HydrophobicContact CG2-CD1 4.39Å; I206-L224 HydrophobicContact CG2-CD2 4.23Å; I206-L224 HydrophobicContact CG2-CG 4.5Å; Q207-L224 CarbonylContact O-C 3.57Å; Q207-L224 WeakPolarHBondContact O-CA 3.43Å; M208-L224 HydrophobicContact CB-CD2 3.86Å; M208-L224 HydrophobicContact CG-CD2 4.04Å; L222-L224 HydrophobicContact CD1-CD2 3.83Å; L222-L224 HydrophobicContact CD1-CG 4.17Å; L222-L224 HydrophobicContact CD2-CD1 4.22Å; L222-L224 HydrophobicContact CD2-CG 4.16Å; L222-L224 HydrophobicContact CG-CD2 4.27Å; L222-L224 HydrophobicContact CG-CG 4.04Å; L224-W239 HydrophobicContact CB-CH2 3.59Å; L224-W239 HydrophobicContact CB-CZ2 3.83Å; L224-W239 HydrophobicContact CB-CZ3 4.44Å; L224-W239 HydrophobicContact CD1-CH2 3.95Å; L224-W239 HydrophobicContact CD1-CZ3 4.07Å; L224-W239 HydrophobicContact CG-CH2 4.43Å; L224-N256 CarbonylContact O-C 3.5Å; L224-N256 VanDerWaalsContact O-CA 3.31Å; L224-N256 WeakPolarHBondContact O-CA 3.36Å; L224-L257 HydrophobicContact CB-CB 4.41Å; L224-L257 HydrophobicContact CD1-CD2 4.27Å; L224-L257 PolarHBondContact N-O 3.02Å; L224-L257 PolarHBondContact O-N 3.03Å; L224-Y285 HydrophobicContact CD1-CD1 3.59Å; L224-Y285 HydrophobicContact CD1-CE1 4.18Å; L224-Y285 HydrophobicContact CD1-CG 3.88Å; L224-Y285 HydrophobicContact CD2-CD1 4.02Å; L224-Y285 HydrophobicContact CD2-CD2 4.1Å; L224-Y285 HydrophobicContact CD2-CE1 3.95Å; L224-Y285 HydrophobicContact CD2-CE2 4.02Å; L224-Y285 HydrophobicContact CD2-CG 4.1Å; L224-Y285 HydrophobicContact CG-CD1 4.47Å
225T96.6Very high93.9Very high22 Ų2250.1 Ų50.114%0.13527%0.274CS..EExtended strand (participates in β ladder)trans-104.9128.8173-69.10000109.7Q207 T209 E227 N256Q207-T225 PolarHBondContact N-O 2.89Å; Q207-T225 PolarHBondContact O-N 2.96Å; T209-T225 WeakPolarHBondContact CG2-OG1 3.27Å; T225-E227 HydrophobicContact CG2-CG 4.22Å; T225-N256 WeakPolarHBondContact CB-OD1 3.36Å; T225-N256 VanDerWaalsContact CG2-OD1 3.3Å; T225-N256 WeakPolarHBondContact CG2-OD1 3.45Å; T225-N256 VanDerWaalsContact OG1-CG 3.3Å; T225-N256 PolarHBondContact OG1-ND2 3.32Å; T225-N256 PolarHBondContact OG1-OD1 2.82Å
226C96.4Very high94Very high6 Ų650.8 Ų50.84%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-93.9110.8173.4-175.70000111.4V204 V237 W239 P255 C272V204-C226 VanDerWaalsContact CG1-SG 3.51Å; C226-V237 HydrophobicContact CB-CG1 3.98Å; C226-W239 HydrophobicContact CB-CZ2 3.71Å; C226-P255 HydrophobicContact CB-CB 4.41Å; C226-P255 VanDerWaalsContact CB-O 3.3Å; C226-P255 WeakPolarHBondContact CB-O 3.44Å; C226-P255 PolarHBondContact N-O 3.2Å; C226-P255 WeakPolarHBondContact O-CB 3.34Å; C226-C272 HydrophobicContact CB-CB 3.66Å; C226-C272 WeakPolarHBondContact CB-SG 3.29Å; C226-C272 WeakPolarHBondContact SG-CB 3.42Å; C226-C272 CovalentContact SG-SG 2Å; C226-C272 PolarHBondContact SG-SG 3.39Å
227E96Very high94.2Very high82 Ų8252.5 Ų52.538%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-94.7120.6173.9-62-176.9157.400109.4V204 H205 Q207 T225V204-E227 CarbonylContact C-O 3.59Å; V204-E227 WeakPolarHBondContact CA-O 3.42Å; H205-E227 IonicContact CD2-OE2 2.76Å; H205-E227 PolarHBondContact N-O 3.23Å; H205-E227 PolarHBondContact O-N 3.32Å; Q207-E227 VanDerWaalsContact CD-CD 3.46Å; Q207-E227 VanDerWaalsContact CD-OE1 3.31Å; Q207-E227 PolarHBondContact NE2-OE1 3.05Å; Q207-E227 VanDerWaalsContact NE2-OE1 3.12Å; Q207-E227 PolarHBondContact NE2-OE2 2.75Å; T225-E227 HydrophobicContact CG2-CG 4.22Å
228A95.9Very high94.3Very high22 Ų2250.8 Ų50.818%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-127.1124.9178.700000110.7Q203 V204 P234 V237 A274Q203-A228 VanDerWaalsContact O-CA 3.31Å; Q203-A228 WeakPolarHBondContact O-CA 3.43Å; V204-A228 HydrophobicContact CG2-CB 4.36Å; A228-P234 HydrophobicContact CB-CB 4.43Å; A228-P234 HydrophobicContact CB-CG 3.95Å; A228-V237 HydrophobicContact CB-CG2 4.32Å; A228-A274 HydrophobicContact CB-CB 3.58Å
229I95Very high94.5Very high104 Ų10448.2 Ų48.253%0.53327%0.274SS..EExtended strand (participates in β ladder)trans-119.4131.2177.9-55.6172.2000108.2P202 Q203P202-I229 CarbonylContact C-O 3.6Å; P202-I229 VanDerWaalsContact CA-O 3.29Å; P202-I229 WeakPolarHBondContact CA-O 3.38Å; Q203-I229 PolarHBondContact N-O 2.85Å; Q203-I229 PolarHBondContact O-N 3.4Å
230G95.9Very high94.7Very high3 Ų348.8 Ų48.83%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-161164.517800000111.4P232 Q233G230-P232 CarbonylContact C-O 3.52Å; G230-P232 CarbonylContact O-C 3.55Å; G230-P232 VanDerWaalsContact O-C 3.25Å; G230-Q233 WeakPolarHBondContact O-CA 3.36Å; G230-Q233 PolarHBondContact O-N 3.44Å
231K96.7Very high94.9Very high42 Ų4247.7 Ų47.718%0.18326%0.26CS..EExtended strand (participates in β ladder)trans-127.1115171.9-169.2167.1178-173.90110.5D173 E197 V198 Q199 Y200D173-K231 IonicContact OD1-NZ 3.88Å; D173-K231 PolarHBondContact OD1-NZ 2.82Å; D173-K231 WeakPolarHBondContact OD2-CD 3.35Å; D173-K231 WeakPolarHBondContact OD2-CE 3.36Å; D173-K231 IonicContact OD2-NZ 3.03Å; D173-K231 PolarHBondContact OD2-NZ 2.94Å; E197-K231 VanDerWaalsContact CD-CE 3.44Å; E197-K231 WeakPolarHBondContact OE1-CE 3.23Å; E197-K231 IonicContact OE1-NZ 3.67Å; E197-K231 PolarHBondContact OE1-NZ 3.31Å; E197-K231 IonicContact OE2-NZ 3.11Å; E197-K231 PolarHBondContact OE2-NZ 3.09Å; V198-K231 WeakPolarHBondContact O-CD 3.33Å; Q199-K231 CarbonylContact C-O 3.57Å; Q199-K231 WeakPolarHBondContact CA-O 3.41Å; Q199-K231 VanDerWaalsContact CB-O 3.32Å; Q199-K231 WeakPolarHBondContact CB-O 3.31Å; Y200-K231 HydrophobicContact CD1-CB 3.84Å; Y200-K231 HydrophobicContact CE1-CB 3.41Å; Y200-K231 VanDerWaalsContact CE1-CB 3.41Å; Y200-K231 HydrophobicContact CE1-CD 4.34Å; Y200-K231 HydrophobicContact CE1-CG 4.49Å; Y200-K231 HydrophobicContact CE2-CB 4.31Å; Y200-K231 HydrophobicContact CG-CB 4.45Å; Y200-K231 PolarHBondContact N-O 2.84Å; Y200-K231 PolarHBondContact O-N 3.34Å; Y200-K231 VanDerWaalsContact O-O 3.04Å
232P96.7Very high95Very high46 Ų4648.3 Ų48.330%0.29926%0.262SS..SBendcis-61.1161.9-6.3-2235.3000113.1G230 N276 I277G230-P232 CarbonylContact C-O 3.52Å; G230-P232 CarbonylContact O-C 3.55Å; G230-P232 VanDerWaalsContact O-C 3.25Å; P232-N276 WeakPolarHBondContact O-CB 3.3Å; P232-N276 PolarHBondContact O-ND2 2.99Å; P232-I277 HydrophobicContact CG-CD1 3.72Å; P232-I277 HydrophobicContact CG-CG1 3.87Å
233Q95.4Very high94.9Very high135 Ų13556.1 Ų56.163%0.63130%0.303SS*.PPolyproline II helixtrans-52.9137.9177.8-72.9-69.1-7.400110.8G230 V235G230-Q233 WeakPolarHBondContact O-CA 3.36Å; G230-Q233 PolarHBondContact O-N 3.44Å; Q233-V235 PolarHBondContact O-N 3.37Å
234P93.5Very high94.8Very high25 Ų2558.5 Ų58.516%0.16232%0.318CS..PPolyproline II helixtrans-58.3129.8-178.4-21.832.7000111.7P202 A228 A274 S275P202-P234 HydrophobicContact CB-CB 4.48Å; P202-P234 HydrophobicContact CB-CG 3.86Å; P202-P234 HydrophobicContact CG-CB 4.19Å; P202-P234 HydrophobicContact CG-CG 3.93Å; A228-P234 HydrophobicContact CB-CB 4.43Å; A228-P234 HydrophobicContact CB-CG 3.95Å; P234-A274 HydrophobicContact CB-CB 4.27Å; P234-S275 WeakPolarHBondContact CA-O 3.35Å
235V87.9Confident94.7Very high135 Ų13566.3 Ų66.382%0.81835%0.354SS*.SBendtrans-88.1-24.8-177.4-177.80000111.2Q233 S275Q233-V235 PolarHBondContact O-N 3.37Å; V235-S275 PolarHBondContact N-O 2.79Å
236M85.3Confident94.7Very high107 Ų10767.8 Ų67.853%0.52736%0.36SS..EExtended strand (participates in β ladder)trans-132.7129.7-177.2-179.8-177.3-68.100109.8T238 A274 S275M236-T238 HydrophobicContact CG-CG2 3.88Å; M236-T238 HydrophobicContact SD-CG2 4.32Å; M236-A274 VanDerWaalsContact O-CA 3.27Å; M236-A274 WeakPolarHBondContact O-CA 3.33Å; M236-S275 PolarHBondContact O-N 3.18Å
237V94.1Very high94.6Very high44 Ų4468.2 Ų68.227%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-130.2121.5172.4-178.70000107.2C226 A228 P255 C272 E273 A274C226-V237 HydrophobicContact CB-CG1 3.98Å; A228-V237 HydrophobicContact CB-CG2 4.32Å; V237-P255 HydrophobicContact CG1-CB 4.18Å; V237-C272 VanDerWaalsContact CG1-SG 3.54Å; V237-E273 WeakPolarHBondContact CA-O 3.34Å; V237-A274 HydrophobicContact CG2-CB 4.24Å
238T94.6Very high94.4Very high57 Ų5774 Ų7435%0.3539%0.39SS..EExtended strand (participates in β ladder)trans-136.9146.6-175.753.30000111.6M236 C272 E273M236-T238 HydrophobicContact CG-CG2 3.88Å; M236-T238 HydrophobicContact SD-CG2 4.32Å; T238-C272 WeakPolarHBondContact O-CA 3.15Å; T238-E273 PolarHBondContact N-O 2.88Å; T238-E273 PolarHBondContact O-N 3.24Å
239W97.3Very high94.4Very high11 Ų1176.2 Ų76.24%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-102.7136.8174.2-76.296.3000111I206 L224 C226 L252 P255 L257 R271 C272I206-W239 HydrophobicContact CB-CH2 4.26Å; I206-W239 HydrophobicContact CD1-CH2 3.58Å; I206-W239 HydrophobicContact CD1-CZ3 3.6Å; I206-W239 HydrophobicContact CG1-CH2 3.58Å; I206-W239 HydrophobicContact CG1-CZ2 4.36Å; I206-W239 HydrophobicContact CG1-CZ3 4.14Å; I206-W239 HydrophobicContact CG2-CH2 3.68Å; L224-W239 HydrophobicContact CB-CH2 3.59Å; L224-W239 HydrophobicContact CB-CZ2 3.83Å; L224-W239 HydrophobicContact CB-CZ3 4.44Å; L224-W239 HydrophobicContact CD1-CH2 3.95Å; L224-W239 HydrophobicContact CD1-CZ3 4.07Å; L224-W239 HydrophobicContact CG-CH2 4.43Å; C226-W239 HydrophobicContact CB-CZ2 3.71Å; W239-L252 HydrophobicContact CB-CD1 4.43Å; W239-L252 HydrophobicContact CB-CD2 3.58Å; W239-L252 HydrophobicContact CG-CD2 3.91Å; W239-P255 PolarHBondContact NE1-O 3.3Å; W239-L257 HydrophobicContact CD2-CB 3.74Å; W239-L257 HydrophobicContact CD2-CD2 3.97Å; W239-L257 HydrophobicContact CD2-CG 4.5Å; W239-L257 HydrophobicContact CE3-CB 4.31Å; W239-L257 HydrophobicContact CE3-CD2 3.73Å; W239-L257 HydrophobicContact CG-CB 3.91Å; W239-L257 HydrophobicContact CG-CD2 4.4Å; W239-L257 HydrophobicContact CZ2-CB 4.15Å; W239-L257 HydrophobicContact CZ3-CD2 4.12Å; W239-R271 WeakPolarHBondContact CA-O 3.26Å; W239-C272 HydrophobicContact CD2-CB 4.11Å; W239-C272 HydrophobicContact CE3-CB 4.06Å; W239-C272 HydrophobicContact CH2-CB 4.06Å; W239-C272 HydrophobicContact CZ2-CB 4.09Å; W239-C272 HydrophobicContact CZ3-CB 4.04Å
240V96.4Very high94.4Very high55 Ų5572.3 Ų72.333%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-136.1152.2173-58.50000109.4R271V240-R271 HydrophobicContact CG2-CB 3.74Å; V240-R271 HydrophobicContact CG2-CG 4.05Å; V240-R271 PolarHBondContact N-O 2.85Å; V240-R271 PolarHBondContact O-N 2.64Å
241R96.6Very high94.4Very high31 Ų3176.1 Ų76.112%0.11740%0.402CS..EExtended strand (participates in β ladder)trans-94.3132.4166.9-170.9177.4-178.6-172.72.3107.8D243 D244 E245 M246 T265 N267 Y270R241-D243 PolarHBondContact O-N 3.04Å; R241-D244 HydrophobicContact CG-CB 4.17Å; R241-D244 IonicContact CZ-OD2 2.97Å; R241-D244 IonicContact NE-OD2 3.21Å; R241-D244 IonicContact NH1-OD2 3.01Å; R241-D244 PolarHBondContact NH1-OD2 2.85Å; R241-D244 VanDerWaalsContact NH1-OD2 3.11Å; R241-D244 IonicContact NH2-OD2 3.64Å; R241-D244 VanDerWaalsContact O-O 3.07Å; R241-E245 VanDerWaalsContact CD-O 3.26Å; R241-E245 WeakPolarHBondContact CD-O 3.43Å; R241-E245 PolarHBondContact NH1-O 2.88Å; R241-M246 HydrophobicContact CB-SD 3.82Å; R241-M246 PolarHBondContact N-SD 3.13Å; R241-M246 VanDerWaalsContact N-SD 3.42Å; R241-T265 PolarHBondContact NH2-O 3.41Å; R241-N267 PolarHBondContact NH2-O 2.82Å; R241-Y270 HydrophobicContact CG-CE1 4.46Å
242V96.6Very high94.3Very high38 Ų3878.5 Ų78.523%0.2342%0.417CS..THydrogen-bonded Turntrans-75129.3-177.8-173.70000108.5D244 T269 R271V242-D244 PolarHBondContact O-N 2.85Å; V242-D244 VanDerWaalsContact O-N 3.11Å; V242-T269 HydrophobicContact CB-CG2 4.42Å; V242-T269 HydrophobicContact CG2-CG2 3.79Å; V242-T269 PolarHBondContact N-O 2.8Å; V242-R271 HydrophobicContact CG2-CB 3.83Å
243D93.3Very high94.1Very high166 Ų16679.9 Ų79.989%0.88843%0.427SS*.THydrogen-bonded Turntrans60.612.4177.9-54.3-41.2000116.1R241R241-D243 PolarHBondContact O-N 3.04Å
244D94.3Very high93.8Very high97 Ų9776.4 Ų76.452%0.51943%0.427SS..SBendtrans-152.8167179.8-1613.6000111.5R241 V242R241-D244 HydrophobicContact CG-CB 4.17Å; R241-D244 IonicContact CZ-OD2 2.97Å; R241-D244 IonicContact NE-OD2 3.21Å; R241-D244 IonicContact NH1-OD2 3.01Å; R241-D244 PolarHBondContact NH1-OD2 2.85Å; R241-D244 VanDerWaalsContact NH1-OD2 3.11Å; R241-D244 IonicContact NH2-OD2 3.64Å; R241-D244 VanDerWaalsContact O-O 3.07Å; V242-D244 PolarHBondContact O-N 2.85Å; V242-D244 VanDerWaalsContact O-N 3.11Å
245E94.2Very high93.8Very high165 Ų16577.9 Ų77.977%0.77144%0.437SS*.PPolyproline II helixtrans-78.8148.9175-66.7-173.917800111.5R241R241-E245 VanDerWaalsContact CD-O 3.26Å; R241-E245 WeakPolarHBondContact CD-O 3.43Å; R241-E245 PolarHBondContact NH1-O 2.88Å
246M95.6Very high94.2Very high53 Ų5373 Ų7326%0.26141%0.406SS..PPolyproline II helixtrans-59.2136.8173.6-74.1-63.9-64.600110R241 Q248 A250 L252 L257 Y270R241-M246 HydrophobicContact CB-SD 3.82Å; R241-M246 PolarHBondContact N-SD 3.13Å; R241-M246 VanDerWaalsContact N-SD 3.42Å; M246-Q248 PolarHBondContact O-N 2.88Å; M246-A250 HydrophobicContact CE-CB 3.81Å; M246-L252 HydrophobicContact CE-CD2 4.39Å; M246-L257 HydrophobicContact CE-CD1 3.49Å; M246-L257 VanDerWaalsContact CE-CD1 3.49Å; M246-L257 HydrophobicContact CE-CD2 4.04Å; M246-L257 HydrophobicContact CE-CG 4.44Å; M246-Y270 HydrophobicContact CE-CD1 4.27Å; M246-Y270 HydrophobicContact CE-CE1 4.25Å; M246-Y270 HydrophobicContact SD-CD1 4.22Å; M246-Y270 HydrophobicContact SD-CE1 4.32Å
247P94.4Very high94.8Very high15 Ų1567.9 Ų67.910%0.09738%0.381CS..PPolyproline II helixtrans-55.9140.8176.6-22.431.4000111.5H249 A250 I259 Y270P247-H249 VanDerWaalsContact CB-CE1 3.44Å; P247-H249 WeakPolarHBondContact CB-CE1 3.27Å; P247-H249 PolarHBondContact O-N 2.83Å; P247-H249 VanDerWaalsContact O-N 3.15Å; P247-A250 HydrophobicContact CB-CB 4.32Å; P247-A250 WeakPolarHBondContact O-CB 3.32Å; P247-A250 PolarHBondContact O-N 3.01Å; P247-I259 HydrophobicContact CG-CD1 4.43Å; P247-Y270 HydrophobicContact CG-CE1 4.38Å; P247-Y270 WeakPolarHBondContact CG-OH 3.33Å
248Q93.3Very high94.9Very high203 Ų20368.5 Ų68.595%0.94938%0.381SS*.THydrogen-bonded Turntrans-62.1-25.6-177.1-68.4-175.4-7.500113.3M246M246-Q248 PolarHBondContact O-N 2.88Å
249H94.8Very high95.1Very high68 Ų6865.8 Ų65.832%0.31536%0.364SS..THydrogen-bonded Turntrans-90.35.9175.557.1-70.3000113.7P247 I259 N260 D266P247-H249 VanDerWaalsContact CB-CE1 3.44Å; P247-H249 WeakPolarHBondContact CB-CE1 3.27Å; P247-H249 PolarHBondContact O-N 2.83Å; P247-H249 VanDerWaalsContact O-N 3.15Å; H249-I259 VanDerWaalsContact CD2-CG2 3.41Å; H249-I259 WeakPolarHBondContact CD2-CG2 3.24Å; H249-I259 WeakPolarHBondContact NE2-CG2 3.28Å; H249-N260 PolarHBondContact CD2-O 2.92Å; H249-N260 VanDerWaalsContact CD2-O 3.26Å; H249-D266 IonicContact CE1-OD1 3.8Å; H249-D266 PolarHBondContact CE1-OD1 2.82Å; H249-D266 IonicContact CE1-OD2 3.82Å; H249-D266 IonicContact NE2-OD1 2.73Å; H249-D266 PolarHBondContact NE2-OD1 2.82Å; H249-D266 IonicContact NE2-OD2 3.72Å; H249-D266 PolarHBondContact NE2-OD2 2.91Å
250A96Very high94.9Very high22 Ų2270 Ų7018%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-77.4131.417100000110.7M246 P247 L257 F258 I259M246-A250 HydrophobicContact CE-CB 3.81Å; P247-A250 HydrophobicContact CB-CB 4.32Å; P247-A250 WeakPolarHBondContact O-CB 3.32Å; P247-A250 PolarHBondContact O-N 3.01Å; A250-L257 HydrophobicContact CB-CD1 3.92Å; A250-F258 CarbonylContact C-O 3.56Å; A250-F258 WeakPolarHBondContact CA-O 3.43Å; A250-I259 HydrophobicContact CB-CG1 4.07Å
251V95.9Very high94.7Very high83 Ų8372.9 Ų72.950%0.50340%0.401SS..EExtended strand (participates in β ladder)trans-116.9123.7178.7-178.90000109F258V251-F258 HydrophobicContact CB-CB 4.3Å; V251-F258 PolarHBondContact N-O 2.87Å; V251-F258 PolarHBondContact O-N 3.45Å
252L95.1Very high94.7Very high93 Ų9371.6 Ų71.649%0.48740%0.396SS..EExtended strand (participates in β ladder)trans-97.1124.4174.8-58.8179.6000109.6W239 M246 L257W239-L252 HydrophobicContact CB-CD1 4.43Å; W239-L252 HydrophobicContact CB-CD2 3.58Å; W239-L252 HydrophobicContact CG-CD2 3.91Å; M246-L252 HydrophobicContact CE-CD2 4.39Å; L252-L257 HydrophobicContact CD2-CB 4.08Å; L252-L257 HydrophobicContact CD2-CD1 3.65Å; L252-L257 HydrophobicContact CD2-CG 4.43Å
253S92.4Very high94.5Very high74 Ų7472.2 Ų72.252%0.51740%0.398SS..EExtended strand (participates in β ladder)trans-129.595.4175.7-171.30000109.4N256S253-N256 PolarHBondContact N-O 2.83Å; S253-N256 PolarHBondContact O-N 3.06Å
254G88.8Confident94.5Very high62 Ų6269.1 Ų69.164%0.63938%0.377SS*.THydrogen-bonded Turntrans57.6-122.4-172.800000111.1N256G254-N256 VanDerWaalsContact C-N 3.28Å; G254-N256 PolarHBondContact O-N 3.21Å
255P93.6Very high94.5Very high57 Ų5769.5 Ų69.537%0.3738%0.383SS..THydrogen-bonded Turntrans-79.9-3.2177.633.9-34.9000114.2C226 V237 W239C226-P255 HydrophobicContact CB-CB 4.41Å; C226-P255 VanDerWaalsContact CB-O 3.3Å; C226-P255 WeakPolarHBondContact CB-O 3.44Å; C226-P255 PolarHBondContact N-O 3.2Å; C226-P255 WeakPolarHBondContact O-CB 3.34Å; V237-P255 HydrophobicContact CG1-CB 4.18Å; W239-P255 PolarHBondContact NE1-O 3.3Å
256N96.2Very high94.6Very high32 Ų3261.8 Ų61.817%0.17135%0.347CS..EExtended strand (participates in β ladder)trans-99.8140.3-175.3-66.74.7000112E223 L224 T225 S253 G254 F258E223-N256 PolarHBondContact OE1-ND2 3.21Å; L224-N256 CarbonylContact O-C 3.5Å; L224-N256 VanDerWaalsContact O-CA 3.31Å; L224-N256 WeakPolarHBondContact O-CA 3.36Å; T225-N256 WeakPolarHBondContact CB-OD1 3.36Å; T225-N256 VanDerWaalsContact CG2-OD1 3.3Å; T225-N256 WeakPolarHBondContact CG2-OD1 3.45Å; T225-N256 VanDerWaalsContact OG1-CG 3.3Å; T225-N256 PolarHBondContact OG1-ND2 3.32Å; T225-N256 PolarHBondContact OG1-OD1 2.82Å; S253-N256 PolarHBondContact N-O 2.83Å; S253-N256 PolarHBondContact O-N 3.06Å; G254-N256 VanDerWaalsContact C-N 3.28Å; G254-N256 PolarHBondContact O-N 3.21Å; N256-F258 HydrophobicContact CB-CD2 4.21Å; N256-F258 HydrophobicContact CB-CE2 3.44Å; N256-F258 VanDerWaalsContact CB-CE2 3.44Å; N256-F258 HydrophobicContact CB-CZ 3.95Å
257L97.3Very high94.6Very high0 Ų061.8 Ų61.80%035%0.348CS..EExtended strand (participates in β ladder)trans-111.6123.9171.3165.462.3000109.2E223 L224 W239 M246 A250 L252 I259 Y270E223-L257 WeakPolarHBondContact CA-O 3.36Å; L224-L257 HydrophobicContact CB-CB 4.41Å; L224-L257 HydrophobicContact CD1-CD2 4.27Å; L224-L257 PolarHBondContact N-O 3.02Å; L224-L257 PolarHBondContact O-N 3.03Å; W239-L257 HydrophobicContact CD2-CB 3.74Å; W239-L257 HydrophobicContact CD2-CD2 3.97Å; W239-L257 HydrophobicContact CD2-CG 4.5Å; W239-L257 HydrophobicContact CE3-CB 4.31Å; W239-L257 HydrophobicContact CE3-CD2 3.73Å; W239-L257 HydrophobicContact CG-CB 3.91Å; W239-L257 HydrophobicContact CG-CD2 4.4Å; W239-L257 HydrophobicContact CZ2-CB 4.15Å; W239-L257 HydrophobicContact CZ3-CD2 4.12Å; M246-L257 HydrophobicContact CE-CD1 3.49Å; M246-L257 VanDerWaalsContact CE-CD1 3.49Å; M246-L257 HydrophobicContact CE-CD2 4.04Å; M246-L257 HydrophobicContact CE-CG 4.44Å; A250-L257 HydrophobicContact CB-CD1 3.92Å; L252-L257 HydrophobicContact CD2-CB 4.08Å; L252-L257 HydrophobicContact CD2-CD1 3.65Å; L252-L257 HydrophobicContact CD2-CG 4.43Å; L257-I259 HydrophobicContact CD1-CD1 4.42Å; L257-I259 HydrophobicContact CD1-CG1 4.04Å; L257-I259 HydrophobicContact CG-CG1 4.33Å; L257-Y270 HydrophobicContact CD2-CD1 3.53Å; L257-Y270 HydrophobicContact CD2-CE1 4.19Å; L257-Y270 HydrophobicContact CD2-CG 4.13Å
258F97.3Very high94.6Very high57 Ų5762.1 Ų62.125%0.2535%0.354CS..EExtended strand (participates in β ladder)trans-114.8131.3177.2-62.2-94.8000110.3L222 E223 A250 V251 N256L222-F258 CarbonylContact O-C 3.6Å; L222-F258 WeakPolarHBondContact O-CA 3.35Å; E223-F258 HydrophobicContact CB-CD1 4.05Å; E223-F258 HydrophobicContact CB-CE1 4.11Å; E223-F258 VanDerWaalsContact CD-CZ 3.45Å; E223-F258 HydrophobicContact CG-CD1 3.6Å; E223-F258 HydrophobicContact CG-CE1 3.3Å; E223-F258 HydrophobicContact CG-CE2 4.49Å; E223-F258 HydrophobicContact CG-CG 4.35Å; E223-F258 HydrophobicContact CG-CZ 3.79Å; E223-F258 WeakPolarHBondContact OE1-CE1 3.34Å; E223-F258 WeakPolarHBondContact OE1-CZ 3.37Å; E223-F258 WeakPolarHBondContact OE2-CE1 3.31Å; A250-F258 CarbonylContact C-O 3.56Å; A250-F258 WeakPolarHBondContact CA-O 3.43Å; V251-F258 HydrophobicContact CB-CB 4.3Å; V251-F258 PolarHBondContact N-O 2.87Å; V251-F258 PolarHBondContact O-N 3.45Å; N256-F258 HydrophobicContact CB-CD2 4.21Å; N256-F258 HydrophobicContact CB-CE2 3.44Å; N256-F258 VanDerWaalsContact CB-CE2 3.44Å; N256-F258 HydrophobicContact CB-CZ 3.95Å
259I96.8Very high94.8Very high0 Ų053.8 Ų53.80%032%0.317CS..EExtended strand (participates in β ladder)trans-131111.8172-51.4-179.4000107.5A221 L222 P247 H249 A250 L257 L262 Y270A221-I259 CarbonylContact C-O 3.59Å; A221-I259 WeakPolarHBondContact CA-O 3.39Å; L222-I259 HydrophobicContact CB-CB 4.37Å; L222-I259 HydrophobicContact CD2-CD1 4.38Å; L222-I259 PolarHBondContact N-O 2.69Å; L222-I259 PolarHBondContact O-N 2.82Å; P247-I259 HydrophobicContact CG-CD1 4.43Å; H249-I259 VanDerWaalsContact CD2-CG2 3.41Å; H249-I259 WeakPolarHBondContact CD2-CG2 3.24Å; H249-I259 WeakPolarHBondContact NE2-CG2 3.28Å; A250-I259 HydrophobicContact CB-CG1 4.07Å; L257-I259 HydrophobicContact CD1-CD1 4.42Å; L257-I259 HydrophobicContact CD1-CG1 4.04Å; L257-I259 HydrophobicContact CG-CG1 4.33Å; I259-L262 HydrophobicContact CB-CD2 4.14Å; I259-L262 HydrophobicContact CG2-CD2 3.79Å; I259-Y270 HydrophobicContact CD1-CD1 4.44Å; I259-Y270 HydrophobicContact CD1-CE1 3.6Å
260N94.3Very high95Very high98 Ų9850.5 Ų50.552%0.52430%0.302SS..  trans-92.9150.1178-71.1-43000111A221 H249A221-N260 WeakPolarHBondContact CB-OD1 2.97Å; H249-N260 PolarHBondContact CD2-O 2.92Å; H249-N260 VanDerWaalsContact CD2-O 3.26Å
261N93.1Very high95.1Very high117 Ų11752.1 Ų52.163%0.62630%0.303SS*.SBendtrans55.959.4175.8-172.551.1000112.2D220D220-N261 WeakPolarHBondContact O-CA 3.27Å; D220-N261 PolarHBondContact O-N 2.81Å; D220-N261 VanDerWaalsContact O-N 3.1Å
262L95.2Very high95.1Very high3 Ų348.2 Ų48.22%0.01628%0.279CS..  trans-52.5142.1-178.4-75.5177000112.5T216 E218 G219 D220 L222 I259 D266 L287 V289T216-L262 HydrophobicContact CG2-CD1 3.84Å; E218-L262 CarbonylContact C-O 3.56Å; E218-L262 WeakPolarHBondContact CA-O 3.31Å; G219-L262 PolarHBondContact N-O 2.95Å; D220-L262 HydrophobicContact CB-CD1 4.29Å; D220-L262 WeakPolarHBondContact O-CG 3.33Å; D220-L262 PolarHBondContact O-N 2.88Å; L222-L262 HydrophobicContact CB-CD1 4.14Å; L222-L262 HydrophobicContact CB-CD2 4.14Å; L222-L262 HydrophobicContact CB-CG 4.38Å; I259-L262 HydrophobicContact CB-CD2 4.14Å; I259-L262 HydrophobicContact CG2-CD2 3.79Å; L262-D266 WeakPolarHBondContact CA-OD2 3.48Å; L262-D266 HydrophobicContact CD2-CB 4.33Å; L262-L287 HydrophobicContact CD2-CD2 3.94Å; L262-V289 HydrophobicContact CB-CG1 4.08Å; L262-V289 HydrophobicContact CB-CG2 4.2Å; L262-V289 HydrophobicContact CD1-CG2 4.31Å; L262-V289 HydrophobicContact CD2-CG2 4.32Å
263N93.9Very high95.2Very high51 Ų5146.7 Ų46.727%0.27327%0.27SS..  trans-134.8166.8173.771.767.6000111.3T265 D266N263-T265 PolarHBondContact O-N 3.45Å; N263-T265 VanDerWaalsContact O-N 3.14Å; N263-T265 VanDerWaalsContact OD1-CA 3.28Å; N263-T265 WeakPolarHBondContact OD1-CA 3.05Å; N263-T265 VanDerWaalsContact OD1-CB 3.28Å; N263-T265 WeakPolarHBondContact OD1-CB 3.05Å; N263-T265 PolarHBondContact OD1-N 3.23Å; N263-T265 PolarHBondContact OD1-OG1 2.96Å; N263-D266 PolarHBondContact N-OD2 3.35Å; N263-D266 PolarHBondContact ND2-OD1 3.19Å; N263-D266 VanDerWaalsContact ND2-OD1 3.08Å; N263-D266 PolarHBondContact ND2-OD2 2.82Å; N263-D266 VanDerWaalsContact ND2-OD2 3.11Å; N263-D266 WeakPolarHBondContact O-CB 3.4Å; N263-D266 PolarHBondContact O-N 2.87Å; N263-D266 PolarHBondContact OD1-N 2.9Å
264K93.3Very high95.5Very high101 Ų10143.2 Ų43.244%0.43925%0.245SC..G310 helixtrans-61.6-20.9-178.9-81.7172.3-179.61250115.2E218 D266 N267 D291E218-K264 WeakPolarHBondContact OE1-CD 3.28Å; E218-K264 WeakPolarHBondContact OE1-CE 3.39Å; E218-K264 WeakPolarHBondContact OE1-CG 3.37Å; E218-K264 IonicContact OE1-NZ 2.69Å; E218-K264 PolarHBondContact OE1-NZ 2.02Å; K264-D266 VanDerWaalsContact C-N 3.3Å; K264-N267 WeakPolarHBondContact O-CB 3.3Å; K264-N267 PolarHBondContact O-ND2 3.4Å; K264-D291 IonicContact NZ-OD2 2.8Å; K264-D291 PolarHBondContact NZ-OD2 3.42Å
265T93.8Very high95.8Very high106 Ų10641.4 Ų41.465%0.6522%0.223SC*.G310 helixtrans-79.6-13.6175.773.60000112.9R241 N263 N267R241-T265 PolarHBondContact NH2-O 3.41Å; N263-T265 PolarHBondContact O-N 3.45Å; N263-T265 VanDerWaalsContact O-N 3.14Å; N263-T265 VanDerWaalsContact OD1-CA 3.28Å; N263-T265 WeakPolarHBondContact OD1-CA 3.05Å; N263-T265 VanDerWaalsContact OD1-CB 3.28Å; N263-T265 WeakPolarHBondContact OD1-CB 3.05Å; N263-T265 PolarHBondContact OD1-N 3.23Å; N263-T265 PolarHBondContact OD1-OG1 2.96Å; T265-N267 PolarHBondContact O-N 2.79Å
266D95.3Very high96Very high2 Ų239.6 Ų39.61%0.01121%0.21CC..G310 helixtrans-78.5-11.2175.1-56.9-23.4000112.1H249 L262 N263 K264 G268 Y270 L287H249-D266 IonicContact CE1-OD1 3.8Å; H249-D266 PolarHBondContact CE1-OD1 2.82Å; H249-D266 IonicContact CE1-OD2 3.82Å; H249-D266 IonicContact NE2-OD1 2.73Å; H249-D266 PolarHBondContact NE2-OD1 2.82Å; H249-D266 IonicContact NE2-OD2 3.72Å; H249-D266 PolarHBondContact NE2-OD2 2.91Å; L262-D266 WeakPolarHBondContact CA-OD2 3.48Å; L262-D266 HydrophobicContact CD2-CB 4.33Å; N263-D266 PolarHBondContact N-OD2 3.35Å; N263-D266 PolarHBondContact ND2-OD1 3.19Å; N263-D266 VanDerWaalsContact ND2-OD1 3.08Å; N263-D266 PolarHBondContact ND2-OD2 2.82Å; N263-D266 VanDerWaalsContact ND2-OD2 3.11Å; N263-D266 WeakPolarHBondContact O-CB 3.4Å; N263-D266 PolarHBondContact O-N 2.87Å; N263-D266 PolarHBondContact OD1-N 2.9Å; K264-D266 VanDerWaalsContact C-N 3.3Å; D266-G268 PolarHBondContact O-N 3.09Å; D266-Y270 WeakPolarHBondContact O-CE2 3.27Å; D266-Y270 PolarHBondContact O-OH 3.43Å; D266-L287 HydrophobicContact CB-CD2 4.3Å
267N95.2Very high95.9Very high54 Ų5444.2 Ų44.229%0.28923%0.234SC..  trans-54.6135176.2-76.7-35.2000111.9R241 K264 T265 L287 Y288 V289R241-N267 PolarHBondContact NH2-O 2.82Å; K264-N267 WeakPolarHBondContact O-CB 3.3Å; K264-N267 PolarHBondContact O-ND2 3.4Å; T265-N267 PolarHBondContact O-N 2.79Å; N267-L287 PolarHBondContact OD1-O 2.87Å; N267-Y288 WeakPolarHBondContact OD1-CA 3.46Å; N267-V289 PolarHBondContact OD1-N 2.84Å
268G95.9Very high95.9Very high21 Ų2145.7 Ų45.722%0.21624%0.243CC..EExtended strand (participates in β ladder)trans152.6-174.2177.700000112.8D266 L287D266-G268 PolarHBondContact O-N 3.09Å; G268-L287 PolarHBondContact N-O 3.21Å; G268-L287 PolarHBondContact O-N 2.78Å
269T97.9Very high95.8Very high28 Ų2843.9 Ų43.917%0.17224%0.24CC..EExtended strand (participates in β ladder)trans-95120.9-179.8-46.30000110V242 D284 Y285 M286V242-T269 HydrophobicContact CB-CG2 4.42Å; V242-T269 HydrophobicContact CG2-CG2 3.79Å; V242-T269 PolarHBondContact N-O 2.8Å; T269-D284 HydrophobicContact CG2-CB 3.67Å; T269-Y285 WeakPolarHBondContact CA-O 3.4Å; T269-M286 WeakPolarHBondContact OG1-CE 3.41Å; T269-M286 PolarHBondContact OG1-SD 2.95Å; T269-M286 VanDerWaalsContact OG1-SD 3.38Å
270Y97.4Very high95.7Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-100.2123.3172.1-66.1-94.2000108.6R241 M246 P247 L257 I259 D266 Y285 L287R241-Y270 HydrophobicContact CG-CE1 4.46Å; M246-Y270 HydrophobicContact CE-CD1 4.27Å; M246-Y270 HydrophobicContact CE-CE1 4.25Å; M246-Y270 HydrophobicContact SD-CD1 4.22Å; M246-Y270 HydrophobicContact SD-CE1 4.32Å; P247-Y270 HydrophobicContact CG-CE1 4.38Å; P247-Y270 WeakPolarHBondContact CG-OH 3.33Å; L257-Y270 HydrophobicContact CD2-CD1 3.53Å; L257-Y270 HydrophobicContact CD2-CE1 4.19Å; L257-Y270 HydrophobicContact CD2-CG 4.13Å; I259-Y270 HydrophobicContact CD1-CD1 4.44Å; I259-Y270 HydrophobicContact CD1-CE1 3.6Å; D266-Y270 WeakPolarHBondContact O-CE2 3.27Å; D266-Y270 PolarHBondContact O-OH 3.43Å; Y270-Y285 PolarHBondContact N-O 3.18Å; Y270-Y285 PolarHBondContact O-N 2.81Å; Y270-L287 HydrophobicContact CD2-CB 3.92Å; Y270-L287 HydrophobicContact CD2-CD2 4.45Å; Y270-L287 HydrophobicContact CE2-CB 3.71Å; Y270-L287 HydrophobicContact CE2-CD2 3.64Å; Y270-L287 HydrophobicContact CE2-CG 4.33Å
271R97.9Very high95.9Very high56 Ų5647.6 Ų47.621%0.21126%0.256CS..EExtended strand (participates in β ladder)trans-109.3127.1-177.9173.5171.8-66.7179.40.4109.8W239 V240 V242 E273 H282 S283 D284W239-R271 WeakPolarHBondContact CA-O 3.26Å; V240-R271 HydrophobicContact CG2-CB 3.74Å; V240-R271 HydrophobicContact CG2-CG 4.05Å; V240-R271 PolarHBondContact N-O 2.85Å; V240-R271 PolarHBondContact O-N 2.64Å; V242-R271 HydrophobicContact CG2-CB 3.83Å; R271-E273 WeakPolarHBondContact CD-OE1 3.27Å; R271-E273 HydrophobicContact CG-CG 3.76Å; R271-H282 HydrophobicContact CG-CB 3.85Å; R271-H282 VanDerWaalsContact CZ-CD2 3.44Å; R271-H282 PolarHBondContact NE-CD2 2.88Å; R271-S283 WeakPolarHBondContact CA-O 3.48Å; R271-D284 VanDerWaalsContact CB-OD1 3.25Å; R271-D284 WeakPolarHBondContact CB-OD1 3.36Å; R271-D284 VanDerWaalsContact CG-OD1 3.28Å; R271-D284 WeakPolarHBondContact CG-OD1 3.39Å; R271-D284 IonicContact CZ-OD1 3.86Å; R271-D284 IonicContact CZ-OD2 3.24Å; R271-D284 IonicContact NE-OD1 3.4Å; R271-D284 PolarHBondContact NE-OD1 2.94Å; R271-D284 IonicContact NE-OD2 2.73Å; R271-D284 IonicContact NH2-OD1 3.43Å; R271-D284 PolarHBondContact NH2-OD1 3.12Å; R271-D284 IonicContact NH2-OD2 2.93Å; R271-D284 PolarHBondContact NH2-OD2 2.89Å
272C97.5Very high96.1Very high0 Ų046.6 Ų46.60%025%0.247CC..EExtended strand (participates in β ladder)trans-95.3127.7162.8-179.10000109.3V204 I206 C226 V237 T238 W239 H282 S283V204-C272 HydrophobicContact CG1-CB 4.12Å; I206-C272 HydrophobicContact CD1-CB 3.98Å; I206-C272 HydrophobicContact CG1-CB 3.93Å; C226-C272 HydrophobicContact CB-CB 3.66Å; C226-C272 WeakPolarHBondContact CB-SG 3.29Å; C226-C272 WeakPolarHBondContact SG-CB 3.42Å; C226-C272 CovalentContact SG-SG 2Å; C226-C272 PolarHBondContact SG-SG 3.39Å; V237-C272 VanDerWaalsContact CG1-SG 3.54Å; T238-C272 WeakPolarHBondContact O-CA 3.15Å; W239-C272 HydrophobicContact CD2-CB 4.11Å; W239-C272 HydrophobicContact CE3-CB 4.06Å; W239-C272 HydrophobicContact CH2-CB 4.06Å; W239-C272 HydrophobicContact CZ2-CB 4.09Å; W239-C272 HydrophobicContact CZ3-CB 4.04Å; C272-H282 CarbonylContact O-C 3.55Å; C272-H282 WeakPolarHBondContact O-CA 3.45Å; C272-H282 VanDerWaalsContact O-CB 3.26Å; C272-H282 WeakPolarHBondContact O-CB 3.1Å; C272-S283 PolarHBondContact N-O 3.38Å; C272-S283 PolarHBondContact O-N 2.98Å
273E96.9Very high96.2Very high61 Ų6147.8 Ų47.829%0.28526%0.256SS..EExtended strand (participates in β ladder)trans-111.9132.2173.8-54.2-163.215600110.3V237 T238 R271 A281 H282V237-E273 WeakPolarHBondContact CA-O 3.34Å; T238-E273 PolarHBondContact N-O 2.88Å; T238-E273 PolarHBondContact O-N 3.24Å; R271-E273 WeakPolarHBondContact CD-OE1 3.27Å; R271-E273 HydrophobicContact CG-CG 3.76Å; E273-A281 WeakPolarHBondContact CA-O 3.44Å; E273-H282 HydrophobicContact CB-CB 4.46Å; E273-H282 HydrophobicContact CG-CB 3.96Å
274A97.3Very high96.4Very high1 Ų148.8 Ų48.81%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-124.1147.4173.700000111P202 V204 A228 P234 M236 V237 K280 A281P202-A274 HydrophobicContact CB-CB 3.96Å; P202-A274 HydrophobicContact CG-CB 4.37Å; V204-A274 HydrophobicContact CG2-CB 3.55Å; A228-A274 HydrophobicContact CB-CB 3.58Å; P234-A274 HydrophobicContact CB-CB 4.27Å; M236-A274 VanDerWaalsContact O-CA 3.27Å; M236-A274 WeakPolarHBondContact O-CA 3.33Å; V237-A274 HydrophobicContact CG2-CB 4.24Å; A274-K280 WeakPolarHBondContact O-CA 3.34Å; A274-A281 PolarHBondContact N-O 2.97Å; A274-A281 PolarHBondContact O-N 3.26Å
275S96.5Very high96.6Very high24 Ų2446.3 Ų46.317%0.16825%0.25CC..EExtended strand (participates in β ladder)trans-143.2146.3179.364.50000114.6P234 V235 M236 G279P234-S275 WeakPolarHBondContact CA-O 3.35Å; V235-S275 PolarHBondContact N-O 2.79Å; M236-S275 PolarHBondContact O-N 3.18Å; S275-G279 WeakPolarHBondContact CA-O 3.3Å
276N96.8Very high96.7Very high19 Ų1945.4 Ų45.410%0.10224%0.239CC..  trans-133.3-173168.772.35.2000110Y200 P202 P232 V278 G279Y200-N276 PolarHBondContact O-ND2 3.21Å; P202-N276 HydrophobicContact CG-CB 4.25Å; P232-N276 WeakPolarHBondContact O-CB 3.3Å; P232-N276 PolarHBondContact O-ND2 2.99Å; N276-V278 PolarHBondContact O-N 3.31Å; N276-V278 WeakPolarHBondContact OD1-CA 3.44Å; N276-V278 WeakPolarHBondContact OD1-CB 3.4Å; N276-V278 PolarHBondContact OD1-N 2.8Å; N276-G279 PolarHBondContact N-O 2.68Å; N276-G279 PolarHBondContact O-N 3.17Å; N276-G279 PolarHBondContact OD1-N 3.46Å; N276-G279 VanDerWaalsContact OD1-N 3.12Å; N276-G279 PolarHBondContact OD1-O 3.38Å
277I95.2Very high96.7Very high130 Ų13045.3 Ų45.367%0.66724%0.239SC*.SBendtrans-64-20.4-179.162.2171.4000114.1P232P232-I277 HydrophobicContact CG-CD1 3.72Å; P232-I277 HydrophobicContact CG-CG1 3.87Å
278V95.8Very high96.6Very high31 Ų3149.1 Ų49.119%0.18825%0.25CC..SBendtrans-84.3-32.2179.4-171.80000111V116 Q199 K201 N276V116-V278 HydrophobicContact CG1-CG1 3.6Å; Q199-V278 HydrophobicContact CB-CG2 3.66Å; K201-V278 HydrophobicContact CG-CB 4.18Å; K201-V278 HydrophobicContact CG-CG1 3.76Å; N276-V278 PolarHBondContact O-N 3.31Å; N276-V278 WeakPolarHBondContact OD1-CA 3.44Å; N276-V278 WeakPolarHBondContact OD1-CB 3.4Å; N276-V278 PolarHBondContact OD1-N 2.8Å
279G95.4Very high96.6Very high19 Ų1948.6 Ų48.620%0.19624%0.242CC..  trans160.8-161.6174.900000114.4P202 S275 N276P202-G279 WeakPolarHBondContact CD-O 3.25Å; S275-G279 WeakPolarHBondContact CA-O 3.3Å; N276-G279 PolarHBondContact N-O 2.68Å; N276-G279 PolarHBondContact O-N 3.17Å; N276-G279 PolarHBondContact OD1-N 3.46Å; N276-G279 VanDerWaalsContact OD1-N 3.12Å; N276-G279 PolarHBondContact OD1-O 3.38Å
280K96.3Very high96.2Very high150 Ų15051.9 Ų51.965%0.65225%0.252SS*.EExtended strand (participates in β ladder)trans-115.2150.7-177.9-49.6-165173.3-177.40111.1A274A274-K280 WeakPolarHBondContact O-CA 3.34Å
281A97.1Very high95.7Very high25 Ų2554.5 Ų54.521%0.20727%0.266CS..EExtended strand (participates in β ladder)trans-143.6162168.300000109.8P202 V204 E273 A274P202-A281 HydrophobicContact CB-CB 4.4Å; P202-A281 WeakPolarHBondContact O-CB 2.89Å; V204-A281 HydrophobicContact CG2-CB 4.02Å; E273-A281 WeakPolarHBondContact CA-O 3.44Å; A274-A281 PolarHBondContact N-O 2.97Å; A274-A281 PolarHBondContact O-N 3.26Å
282H97.3Very high94.4Very high96 Ų9654.5 Ų54.544%0.44428%0.275SS..EExtended strand (participates in β ladder)trans-145.7162.2179.565.3-89.7000111.5R271 C272 E273 D284R271-H282 HydrophobicContact CG-CB 3.85Å; R271-H282 VanDerWaalsContact CZ-CD2 3.44Å; R271-H282 PolarHBondContact NE-CD2 2.88Å; C272-H282 CarbonylContact O-C 3.55Å; C272-H282 WeakPolarHBondContact O-CA 3.45Å; C272-H282 VanDerWaalsContact O-CB 3.26Å; C272-H282 WeakPolarHBondContact O-CB 3.1Å; E273-H282 HydrophobicContact CB-CB 4.46Å; E273-H282 HydrophobicContact CG-CB 3.96Å; H282-D284 IonicContact CD2-OD1 2.75Å
283S97.9Very high92.9Very high29 Ų2963.1 Ų63.120%0.20331%0.307CS..EExtended strand (participates in β ladder)trans-135.1148.4169.6-1670000108.5V204 I206 R271 C272V204-S283 WeakPolarHBondContact O-CB 3.49Å; I206-S283 WeakPolarHBondContact CD1-O 3Å; R271-S283 WeakPolarHBondContact CA-O 3.48Å; C272-S283 PolarHBondContact N-O 3.38Å; C272-S283 PolarHBondContact O-N 2.98Å
284D97.9Very high90.9Very high71 Ų7163.7 Ų63.738%0.3832%0.322SS..EExtended strand (participates in β ladder)trans-116.4135.3-175.8-72.3-9.3000110T269 R271 H282T269-D284 HydrophobicContact CG2-CB 3.67Å; R271-D284 VanDerWaalsContact CB-OD1 3.25Å; R271-D284 WeakPolarHBondContact CB-OD1 3.36Å; R271-D284 VanDerWaalsContact CG-OD1 3.28Å; R271-D284 WeakPolarHBondContact CG-OD1 3.39Å; R271-D284 IonicContact CZ-OD1 3.86Å; R271-D284 IonicContact CZ-OD2 3.24Å; R271-D284 IonicContact NE-OD1 3.4Å; R271-D284 PolarHBondContact NE-OD1 2.94Å; R271-D284 IonicContact NE-OD2 2.73Å; R271-D284 IonicContact NH2-OD1 3.43Å; R271-D284 PolarHBondContact NH2-OD1 3.12Å; R271-D284 IonicContact NH2-OD2 2.93Å; R271-D284 PolarHBondContact NH2-OD2 2.89Å; H282-D284 IonicContact CD2-OD1 2.75Å
285Y96.7Very high88.7Confident50 Ų5065.8 Ų65.820%0.19634%0.344CS..EExtended strand (participates in β ladder)trans-120120.2173.3-177.2-85.7000109.4I206 M208 L224 T269 Y270 L287I206-Y285 HydrophobicContact CG2-CD2 4.04Å; I206-Y285 HydrophobicContact CG2-CG 4.19Å; M208-Y285 HydrophobicContact CB-CE2 4.12Å; M208-Y285 HydrophobicContact SD-CE2 4.47Å; M208-Y285 PolarHBondContact SD-OH 2.86Å; L224-Y285 HydrophobicContact CD1-CD1 3.59Å; L224-Y285 HydrophobicContact CD1-CE1 4.18Å; L224-Y285 HydrophobicContact CD1-CG 3.88Å; L224-Y285 HydrophobicContact CD2-CD1 4.02Å; L224-Y285 HydrophobicContact CD2-CD2 4.1Å; L224-Y285 HydrophobicContact CD2-CE1 3.95Å; L224-Y285 HydrophobicContact CD2-CE2 4.02Å; L224-Y285 HydrophobicContact CD2-CG 4.1Å; L224-Y285 HydrophobicContact CG-CD1 4.47Å; T269-Y285 WeakPolarHBondContact CA-O 3.4Å; Y270-Y285 PolarHBondContact N-O 3.18Å; Y270-Y285 PolarHBondContact O-N 2.81Å; Y285-L287 HydrophobicContact CE1-CB 4.27Å; Y285-L287 HydrophobicContact CE1-CD1 4.37Å
286M96.3Very high86.7Confident87 Ų8772 Ų7243%0.42937%0.371SS..EExtended strand (participates in β ladder)trans-90.7112.5178.3-172.469.670.100109.9T269 Y288T269-M286 WeakPolarHBondContact OG1-CE 3.41Å; T269-M286 PolarHBondContact OG1-SD 2.95Å; T269-M286 VanDerWaalsContact OG1-SD 3.38Å; M286-Y288 HydrophobicContact CB-CE2 4.13Å; M286-Y288 HydrophobicContact CG-CD2 3.99Å; M286-Y288 HydrophobicContact CG-CE1 4.28Å; M286-Y288 HydrophobicContact CG-CE2 3.24Å; M286-Y288 WeakPolarHBondContact CG-OH 3.4Å
287L95.3Very high84.3Confident0 Ų080 Ų800%041%0.407CS..EExtended strand (participates in β ladder)trans-88127.2177.4179.260.2000111T216 L222 L262 D266 N267 G268 Y270 Y285 V289T216-L287 HydrophobicContact CG2-CD1 3.99Å; L222-L287 HydrophobicContact CD2-CD1 3.76Å; L222-L287 HydrophobicContact CD2-CD2 3.71Å; L222-L287 HydrophobicContact CD2-CG 4.28Å; L262-L287 HydrophobicContact CD2-CD2 3.94Å; D266-L287 HydrophobicContact CB-CD2 4.3Å; N267-L287 PolarHBondContact OD1-O 2.87Å; G268-L287 PolarHBondContact N-O 3.21Å; G268-L287 PolarHBondContact O-N 2.78Å; Y270-L287 HydrophobicContact CD2-CB 3.92Å; Y270-L287 HydrophobicContact CD2-CD2 4.45Å; Y270-L287 HydrophobicContact CE2-CB 3.71Å; Y270-L287 HydrophobicContact CE2-CD2 3.64Å; Y270-L287 HydrophobicContact CE2-CG 4.33Å; Y285-L287 HydrophobicContact CE1-CB 4.27Å; Y285-L287 HydrophobicContact CE1-CD1 4.37Å; L287-V289 HydrophobicContact CD1-CG2 4.36Å; L287-V289 HydrophobicContact CD2-CG2 4.18Å; L287-V289 HydrophobicContact CG-CG2 4.07Å
288Y94.2Very high81.9Confident134 Ų13477.1 Ų77.153%0.52541%0.409SS..  trans-122.7111.8170-66-72.8000110.7T216 N267 M286 Y290T216-Y288 PolarHBondContact OG1-O 3.29Å; N267-Y288 WeakPolarHBondContact OD1-CA 3.46Å; M286-Y288 HydrophobicContact CB-CE2 4.13Å; M286-Y288 HydrophobicContact CG-CD2 3.99Å; M286-Y288 HydrophobicContact CG-CE1 4.28Å; M286-Y288 HydrophobicContact CG-CE2 3.24Å; M286-Y288 WeakPolarHBondContact CG-OH 3.4Å; Y288-Y290 WeakPolarHBondContact O-CD2 3.37Å
289V94.4Very high79.2Confident9 Ų980.5 Ų80.56%0.05543%0.434CS..  trans-90.8111.3177.4-173.50000109T216 E218 L262 N267 L287T216-V289 CarbonylContact O-C 3.57Å; T216-V289 WeakPolarHBondContact O-CA 3.35Å; E218-V289 HydrophobicContact CB-CG1 4.43Å; E218-V289 HydrophobicContact CG-CG1 3.82Å; L262-V289 HydrophobicContact CB-CG1 4.08Å; L262-V289 HydrophobicContact CB-CG2 4.2Å; L262-V289 HydrophobicContact CD1-CG2 4.31Å; L262-V289 HydrophobicContact CD2-CG2 4.32Å; N267-V289 PolarHBondContact OD1-N 2.84Å; L287-V289 HydrophobicContact CD1-CG2 4.36Å; L287-V289 HydrophobicContact CD2-CG2 4.18Å; L287-V289 HydrophobicContact CG-CG2 4.07Å
290Y90.4Very high77Confident97 Ų9786.7 Ų86.738%0.3846%0.461SS..BIsolated β-bridgetrans-84152.9178.4-68-92.8000111.2L215 T216 R217 E218 Y288 S292L215-Y290 HydrophobicContact CB-CD2 3.65Å; L215-Y290 HydrophobicContact CB-CE2 3.97Å; L215-Y290 HydrophobicContact CB-CG 4.24Å; L215-Y290 HydrophobicContact CD1-CD1 4.16Å; L215-Y290 HydrophobicContact CD1-CD2 4.07Å; L215-Y290 HydrophobicContact CD1-CE1 4.19Å; L215-Y290 HydrophobicContact CD1-CE2 4.1Å; L215-Y290 HydrophobicContact CD1-CG 4.09Å; L215-Y290 HydrophobicContact CD2-CD2 4.2Å; L215-Y290 HydrophobicContact CD2-CE2 3.62Å; L215-Y290 HydrophobicContact CG-CD2 4.18Å; L215-Y290 HydrophobicContact CG-CE2 4.1Å; T216-Y290 PolarHBondContact O-N 3.22Å; R217-Y290 CarbonylContact C-O 3.51Å; R217-Y290 VanDerWaalsContact CA-O 3.26Å; R217-Y290 WeakPolarHBondContact CA-O 3.48Å; E218-Y290 PolarHBondContact N-O 3.11Å; Y288-Y290 WeakPolarHBondContact O-CD2 3.37Å; Y290-S292 PolarHBondContact O-N 3.22Å
291D85.7Confident74.8Confident55 Ų5590.6 Ų90.629%0.29447%0.472SS..  trans-63.1136.9172.1-157.1-56.8000110.2K264 R293 A294K264-D291 IonicContact NZ-OD2 2.8Å; K264-D291 PolarHBondContact NZ-OD2 3.42Å; D291-R293 PolarHBondContact O-N 2.81Å; D291-R293 PolarHBondContact OD1-N 2.88Å; D291-R293 VanDerWaalsContact OD1-N 3.1Å; D291-A294 HydrophobicContact CB-CB 4.41Å; D291-A294 PolarHBondContact O-N 2.63Å; D291-A294 VanDerWaalsContact O-N 3.14Å
292S72.4Confident72.8Confident56 Ų5693.2 Ų93.239%0.39249%0.494SS..THydrogen-bonded Turntrans-49.2-29.7173.860.20000113R217 Y290R217-S292 PolarHBondContact NH1-O 2.97Å; Y290-S292 PolarHBondContact O-N 3.22Å
293R65.2Low70.9Confident182 Ų18293 Ų9369%0.68750%0.499SS*.THydrogen-bonded Turntrans-89.8-13.8-174.1-55.7-179-167.2-174.23.5115.3D291 G295 E296D291-R293 PolarHBondContact O-N 2.81Å; D291-R293 PolarHBondContact OD1-N 2.88Å; D291-R293 VanDerWaalsContact OD1-N 3.1Å; R293-G295 PolarHBondContact O-N 2.02Å; R293-G295 VanDerWaalsContact O-N 3.11Å; R293-E296 PolarHBondContact O-N 2.59Å
294A55.6Low69Low72 Ų7297.1 Ų97.160%0.59552%0.518SS*.THydrogen-bonded Turntrans-70-10-173.100000114.1D291D291-A294 HydrophobicContact CB-CB 4.41Å; D291-A294 PolarHBondContact O-N 2.63Å; D291-A294 VanDerWaalsContact O-N 3.14Å
295G51.5Low67.2Low45 Ų45101.7 Ų101.746%0.46454%0.537SS..THydrogen-bonded Turntrans-98.9-7.2175.300000115.6R293R293-G295 PolarHBondContact O-N 2.02Å; R293-G295 VanDerWaalsContact O-N 3.11Å
296E52.7Low65.6Low156 Ų156103 Ų10373%0.72956%0.559SS**THydrogen-bonded Turntrans-96.9-19.8-178.6-89.1-174.9149.300113.8R293 G298 S299R293-E296 PolarHBondContact O-N 2.59Å; E296-G298 PolarHBondContact O-N 2.95Å; E296-G298 VanDerWaalsContact O-N 3.13Å; E296-S299 PolarHBondContact O-N 2.93Å
297E47.3Very low64.2Low187 Ų187102.9 Ų102.987%0.87456%0.562SS**THydrogen-bonded Turntrans-72-4.3179.8-71.4-169.7155.800114.2
298G43.7Very low62.8Low68 Ų68107 Ų10770%0.70158%0.584SS**THydrogen-bonded Turntrans-87.1-4.5174.600000115.4E296 I300E296-G298 PolarHBondContact O-N 2.95Å; E296-G298 VanDerWaalsContact O-N 3.13Å; G298-I300 PolarHBondContact O-N 2.89Å
299S40.4Very low61.7Low102 Ų102102.6 Ų102.671%0.71358%0.579SS**SBendtrans-78.890.5171.8-179.60000109.2E296 R301E296-S299 PolarHBondContact O-N 2.93Å; S299-R301 PolarHBondContact O-N 2.79Å
300I48.3Very low60.9Low149 Ų149104 Ų10476%0.76459%0.594SS**  trans-25.3118.9163.9-62.5172.4000109.6G298 A302G298-I300 PolarHBondContact O-N 2.89Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.03Å
301R50.7Low60.5Low233 Ų233103.6 Ų103.688%0.87960%0.602SS**  trans-50.1104.3163.4-76.5-178.4176.2174.2-0.8106S299 V303S299-R301 PolarHBondContact O-N 2.79Å; R301-V303 VanDerWaalsContact C-N 3.34Å; R301-V303 PolarHBondContact O-N 3.41Å
302A54.5Low60.3Low80 Ų80104.9 Ų104.966%0.66161%0.612SS**  trans-52.6108.6169.200000105.1I300 D304I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.03Å; A302-D304 PolarHBondContact O-N 2.78Å
303V57.2Low60.8Low91 Ų91105 Ų10555%0.55262%0.617SS**  trans-59.9110.6170.8177.60000103.7R301 H305 V307 I308R301-V303 VanDerWaalsContact C-N 3.34Å; R301-V303 PolarHBondContact O-N 3.41Å; V303-H305 PolarHBondContact O-N 2.63Å; V303-V307 HydrophobicContact CG1-CB 4.45Å; V303-I308 HydrophobicContact CB-CD1 4.46Å; V303-I308 HydrophobicContact CG1-CD1 4.25Å; V303-I308 HydrophobicContact CG1-CG1 4.05Å
304D58.9Low61.8Low115 Ų115101.3 Ų101.362%0.61561%0.614SS**  trans-42120.5-177.6-93.9-35.3000108.6A302 A306 V307A302-D304 PolarHBondContact O-N 2.78Å; D304-A306 HydrophobicContact CB-CB 4.37Å; D304-A306 PolarHBondContact O-N 2.71Å; D304-V307 HydrophobicContact CB-CG2 4.05Å; D304-V307 WeakPolarHBondContact O-CB 3.26Å; D304-V307 PolarHBondContact O-N 2.84Å
305H60.1Low63.4Low167 Ų167101.8 Ų101.877%0.77361%0.609SS**Hα-helixtrans-53.6-20.1176.9-76.6-81.3000111.7V303 G309V303-H305 PolarHBondContact O-N 2.63Å; H305-G309 PolarHBondContact O-N 3.48Å
306A62.7Low65.1Low79 Ų79103.3 Ų103.365%0.65361%0.609SS**Hα-helixtrans-63.6-37.4170.300000113.9D304 G310D304-A306 HydrophobicContact CB-CB 4.37Å; D304-A306 PolarHBondContact O-N 2.71Å; A306-G310 PolarHBondContact O-N 2.73Å
307V66.6Low66.9Low83 Ų83102.7 Ų102.750%0.50361%0.605SS.*Hα-helixtrans-71.5-43.5177.7-178.70000110.3V303 D304 G310 V311V303-V307 HydrophobicContact CG1-CB 4.45Å; D304-V307 HydrophobicContact CB-CG2 4.05Å; D304-V307 WeakPolarHBondContact O-CB 3.26Å; D304-V307 PolarHBondContact O-N 2.84Å; V307-G310 PolarHBondContact O-N 3.15Å; V307-V311 WeakPolarHBondContact O-CG2 3.45Å; V307-V311 PolarHBondContact O-N 3.5Å
308I67.2Low68.8Low88 Ų8896.1 Ų96.145%0.45158%0.582SS.*Hα-helixtrans-63.5-44.5175.8-59.9173.4000110V303 G310 V311 V312V303-I308 HydrophobicContact CB-CD1 4.46Å; V303-I308 HydrophobicContact CG1-CD1 4.25Å; V303-I308 HydrophobicContact CG1-CG1 4.05Å; I308-G310 PolarHBondContact O-N 2.91Å; I308-V311 PolarHBondContact O-N 3.31Å; I308-V312 HydrophobicContact CG2-CG2 4.44Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3.35Å
309G71.1Confident71Confident41 Ų4198.3 Ų98.342%0.42358%0.575SS.*Hα-helixtrans-60.8-41.3174.700000113.1H305 A313H305-G309 PolarHBondContact O-N 3.48Å; G309-A313 VanDerWaalsContact O-CB 3.3Å; G309-A313 WeakPolarHBondContact O-CB 3.46Å; G309-A313 PolarHBondContact O-N 2.83Å
310G77.2Confident73.3Confident37 Ų3798 Ų9838%0.38157%0.565SS.*Hα-helixtrans-63.8-47.217700000112.9A306 V307 I308 A313 V314A306-G310 PolarHBondContact O-N 2.73Å; V307-G310 PolarHBondContact O-N 3.15Å; I308-G310 PolarHBondContact O-N 2.91Å; G310-A313 PolarHBondContact O-N 3.17Å; G310-V314 WeakPolarHBondContact O-CG2 3.37Å; G310-V314 PolarHBondContact O-N 2.85Å
311V80.9Confident75.3Confident89 Ų8993.1 Ų93.154%0.53954%0.544SS..Hα-helixtrans-64.8-43.6179.1175.70000110.9V307 I308 A313 V314 V315V307-V311 WeakPolarHBondContact O-CG2 3.45Å; V307-V311 PolarHBondContact O-N 3.5Å; I308-V311 PolarHBondContact O-N 3.31Å; V311-A313 PolarHBondContact O-N 3.09Å; V311-V314 PolarHBondContact O-N 3.25Å; V311-V315 HydrophobicContact CG1-CG2 4.46Å; V311-V315 VanDerWaalsContact O-CG2 3.32Å; V311-V315 WeakPolarHBondContact O-CG2 3.15Å; V311-V315 PolarHBondContact O-N 2.83Å
312V82.4Confident77.1Confident83 Ų8386.4 Ų86.450%0.50353%0.525SS..Hα-helixtrans-62.7-42.8177.4173.60000111I308 V314 V315 V316I308-V312 HydrophobicContact CG2-CG2 4.44Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3.35Å; V312-V314 PolarHBondContact O-N 3.19Å; V312-V315 PolarHBondContact O-N 2.72Å; V312-V316 HydrophobicContact CG1-CG2 4.27Å; V312-V316 WeakPolarHBondContact O-CB 3.47Å; V312-V316 VanDerWaalsContact O-CG2 3.27Å; V312-V316 WeakPolarHBondContact O-CG2 3.46Å; V312-V316 PolarHBondContact O-N 3.18Å
313A82.8Confident78.6Confident59 Ų5988 Ų8849%0.48852%0.521SS..Hα-helixtrans-61.9-42.1177.500000112.5G309 G310 V311 V316 F317G309-A313 VanDerWaalsContact O-CB 3.3Å; G309-A313 WeakPolarHBondContact O-CB 3.46Å; G309-A313 PolarHBondContact O-N 2.83Å; G310-A313 PolarHBondContact O-N 3.17Å; V311-A313 PolarHBondContact O-N 3.09Å; A313-V316 PolarHBondContact O-N 3.12Å; A313-F317 VanDerWaalsContact O-CB 3.31Å; A313-F317 WeakPolarHBondContact O-CB 3.38Å; A313-F317 PolarHBondContact O-N 3.02Å
314V87.1Confident80Confident103 Ų10388.5 Ų88.562%0.62452%0.52SS*.Hα-helixtrans-64.5-43.1177.2172.80000111.2G310 V311 V312 F317 A318G310-V314 WeakPolarHBondContact O-CG2 3.37Å; G310-V314 PolarHBondContact O-N 2.85Å; V311-V314 PolarHBondContact O-N 3.25Å; V312-V314 PolarHBondContact O-N 3.19Å; V314-F317 PolarHBondContact O-N 2.98Å; V314-A318 WeakPolarHBondContact O-CB 3.16Å; V314-A318 PolarHBondContact O-N 2.95Å
315V87.6Confident81.2Confident83 Ų8388.3 Ų88.350%0.50352%0.518SS..Hα-helixtrans-65.2-44.3178.5172.50000111.1V311 V312 F317 A318 M319V311-V315 HydrophobicContact CG1-CG2 4.46Å; V311-V315 VanDerWaalsContact O-CG2 3.32Å; V311-V315 WeakPolarHBondContact O-CG2 3.15Å; V311-V315 PolarHBondContact O-N 2.83Å; V312-V315 PolarHBondContact O-N 2.72Å; V315-F317 VanDerWaalsContact C-N 3.35Å; V315-F317 PolarHBondContact O-N 2.61Å; V315-A318 PolarHBondContact O-N 2.78Å; V315-M319 VanDerWaalsContact O-CG 3.31Å; V315-M319 WeakPolarHBondContact O-CG 3.18Å; V315-M319 PolarHBondContact O-N 2.86Å
316V87.9Confident82.2Confident77 Ų7784.2 Ų84.247%0.46750%0.501SS..Hα-helixtrans-63-42.5176.9172.40000111V312 A313 M319 L320V312-V316 HydrophobicContact CG1-CG2 4.27Å; V312-V316 WeakPolarHBondContact O-CB 3.47Å; V312-V316 VanDerWaalsContact O-CG2 3.27Å; V312-V316 WeakPolarHBondContact O-CG2 3.46Å; V312-V316 PolarHBondContact O-N 3.18Å; A313-V316 PolarHBondContact O-N 3.12Å; V316-M319 PolarHBondContact O-N 2.81Å; V316-L320 HydrophobicContact CG1-CD1 4.09Å; V316-L320 WeakPolarHBondContact O-CG 3.44Å; V316-L320 PolarHBondContact O-N 2.84Å
317F89.7Confident83.1Confident143 Ų14382.5 Ų82.563%0.62749%0.491SS*.Hα-helixtrans-64.4-41177.5-167.4-94.9000112.2A313 V314 V315 L320 C321A313-F317 VanDerWaalsContact O-CB 3.31Å; A313-F317 WeakPolarHBondContact O-CB 3.38Å; A313-F317 PolarHBondContact O-N 3.02Å; V314-F317 PolarHBondContact O-N 2.98Å; V315-F317 VanDerWaalsContact C-N 3.35Å; V315-F317 PolarHBondContact O-N 2.61Å; F317-L320 PolarHBondContact O-N 2.81Å; F317-C321 VanDerWaalsContact CE1-SG 3.56Å; F317-C321 WeakPolarHBondContact O-CB 3.43Å; F317-C321 PolarHBondContact O-N 3.23Å; F317-C321 PolarHBondContact O-SG 3.23Å
318A88.9Confident83.6Confident48 Ų4887.3 Ų87.340%0.39750%0.5SS..Hα-helixtrans-63.6-41.9175.400000112V314 V315 C321 L322V314-A318 WeakPolarHBondContact O-CB 3.16Å; V314-A318 PolarHBondContact O-N 2.95Å; V315-A318 PolarHBondContact O-N 2.78Å; A318-C321 WeakPolarHBondContact O-CB 3.38Å; A318-C321 PolarHBondContact O-N 2.81Å; A318-L322 PolarHBondContact O-N 3.17Å
319M88.4Confident84.1Confident115 Ų11589.4 Ų89.457%0.56750%0.503SS*.Hα-helixtrans-65.3-41.8177.1-72.3-70-86.600112.1V315 V316 L322 L323V315-M319 VanDerWaalsContact O-CG 3.31Å; V315-M319 WeakPolarHBondContact O-CG 3.18Å; V315-M319 PolarHBondContact O-N 2.86Å; V316-M319 PolarHBondContact O-N 2.81Å; M319-L322 PolarHBondContact O-N 2.94Å; M319-L323 WeakPolarHBondContact O-CG 3.26Å; M319-L323 PolarHBondContact O-N 2.94Å
320L90Very high84Confident95 Ų9593.6 Ų93.650%0.49751%0.51SS..Hα-helixtrans-63.3-42.8174.3-74170.3000111.7V316 F317 L322 L323 I324V316-L320 HydrophobicContact CG1-CD1 4.09Å; V316-L320 WeakPolarHBondContact O-CG 3.44Å; V316-L320 PolarHBondContact O-N 2.84Å; F317-L320 PolarHBondContact O-N 2.81Å; L320-L322 VanDerWaalsContact C-N 3.34Å; L320-L322 PolarHBondContact O-N 2.92Å; L320-L323 PolarHBondContact O-N 3.42Å; L320-I324 VanDerWaalsContact O-CG1 3.29Å; L320-I324 WeakPolarHBondContact O-CG1 3.4Å; L320-I324 PolarHBondContact O-N 2.81Å
321C88.8Confident83.5Confident46 Ų4695.6 Ų95.631%0.31152%0.523SS..Hα-helixtrans-58.8-46173.8-71.50000111.5F317 A318 L323 I324 I325F317-C321 VanDerWaalsContact CE1-SG 3.56Å; F317-C321 WeakPolarHBondContact O-CB 3.43Å; F317-C321 PolarHBondContact O-N 3.23Å; F317-C321 PolarHBondContact O-SG 3.23Å; A318-C321 WeakPolarHBondContact O-CB 3.38Å; A318-C321 PolarHBondContact O-N 2.81Å; C321-L323 PolarHBondContact O-N 2.79Å; C321-I324 PolarHBondContact O-N 3.14Å; C321-I325 VanDerWaalsContact O-CG1 3.24Å; C321-I325 WeakPolarHBondContact O-CG1 3.3Å; C321-I325 PolarHBondContact O-N 3.3Å
322L88.4Confident82.7Confident93 Ų93102 Ų10249%0.48754%0.537SS..Hα-helixtrans-60.4-43.6176.5-84.9162.3000112.1A318 M319 L320 I324 I325 L326A318-L322 PolarHBondContact O-N 3.17Å; M319-L322 PolarHBondContact O-N 2.94Å; L320-L322 VanDerWaalsContact C-N 3.34Å; L320-L322 PolarHBondContact O-N 2.92Å; L322-I324 VanDerWaalsContact C-N 3.34Å; L322-I324 PolarHBondContact O-N 2.91Å; L322-I325 PolarHBondContact O-N 2.92Å; L322-L326 WeakPolarHBondContact O-CB 3.44Å; L322-L326 WeakPolarHBondContact O-CG 3.39Å; L322-L326 PolarHBondContact O-N 2.84Å
323L87.1Confident81.7Confident112 Ų112104.2 Ų104.259%0.58654%0.542SS*.Hα-helixtrans-65-37.1177.2-73.8173.6000112.4M319 L320 C321 G327M319-L323 WeakPolarHBondContact O-CG 3.26Å; M319-L323 PolarHBondContact O-N 2.94Å; L320-L323 PolarHBondContact O-N 3.42Å; C321-L323 PolarHBondContact O-N 2.79Å; L323-G327 PolarHBondContact O-N 3.19Å
324I85.9Confident80.3Confident103 Ų103110.7 Ų110.753%0.52856%0.559SS.*Hα-helixtrans-66.9-42.6174.2-66.9165000110.5L320 C321 L322 G327 R328L320-I324 VanDerWaalsContact O-CG1 3.29Å; L320-I324 WeakPolarHBondContact O-CG1 3.4Å; L320-I324 PolarHBondContact O-N 2.81Å; C321-I324 PolarHBondContact O-N 3.14Å; L322-I324 VanDerWaalsContact C-N 3.34Å; L322-I324 PolarHBondContact O-N 2.91Å; I324-G327 PolarHBondContact O-N 3.03Å; I324-R328 WeakPolarHBondContact O-CB 3.41Å; I324-R328 WeakPolarHBondContact O-CG 3.46Å; I324-R328 PolarHBondContact O-N 2.9Å
325I84.4Confident78.8Confident111 Ų111108.8 Ų108.857%0.56956%0.56SS**Hα-helixtrans-63.1-47.6176.8-67.6164.2000110.3C321 L322 R328 Y329C321-I325 VanDerWaalsContact O-CG1 3.24Å; C321-I325 WeakPolarHBondContact O-CG1 3.3Å; C321-I325 PolarHBondContact O-N 3.3Å; L322-I325 PolarHBondContact O-N 2.92Å; I325-R328 PolarHBondContact O-N 2.95Å; I325-Y329 WeakPolarHBondContact O-CB 3.45Å; I325-Y329 PolarHBondContact O-N 3.13Å
326L82.1Confident76.8Confident81 Ų81112.1 Ų112.142%0.42458%0.575SS.*Hα-helixtrans-62.3-42.5176-78.5161.7000111.4L322 R328 Y329 F330L322-L326 WeakPolarHBondContact O-CB 3.44Å; L322-L326 WeakPolarHBondContact O-CG 3.39Å; L322-L326 PolarHBondContact O-N 2.84Å; L326-R328 PolarHBondContact O-N 2.87Å; L326-Y329 WeakPolarHBondContact O-CB 3.21Å; L326-Y329 PolarHBondContact O-N 3.25Å; L326-F330 HydrophobicContact CD2-CE2 4.32Å; L326-F330 VanDerWaalsContact O-CD2 3.25Å; L326-F330 WeakPolarHBondContact O-CD2 3.31Å; L326-F330 PolarHBondContact O-N 2.87Å
327G80Confident74.6Confident42 Ų42118.6 Ų118.643%0.43360%0.597SS.*Hα-helixtrans-60.6-43.8175.300000112.2L323 I324 A331L323-G327 PolarHBondContact O-N 3.19Å; I324-G327 PolarHBondContact O-N 3.03Å; G327-A331 VanDerWaalsContact O-CB 3.23Å; G327-A331 WeakPolarHBondContact O-CB 3.49Å; G327-A331 PolarHBondContact O-N 2.77Å
328R78.4Confident72.1Confident184 Ų184116.4 Ų116.469%0.69460%0.599SS**Hα-helixtrans-67.1-35.4173.7-76-173.9170-172-1.5112.6I324 I325 L326 R332I324-R328 WeakPolarHBondContact O-CB 3.41Å; I324-R328 WeakPolarHBondContact O-CG 3.46Å; I324-R328 PolarHBondContact O-N 2.9Å; I325-R328 PolarHBondContact O-N 2.95Å; L326-R328 PolarHBondContact O-N 2.87Å; R328-R332 WeakPolarHBondContact O-CB 3.11Å; R328-R332 WeakPolarHBondContact O-CG 3.42Å; R328-R332 PolarHBondContact O-N 3.38Å
329Y76Confident70Confident133 Ų133122.4 Ų122.452%0.52262%0.623SS.*Hα-helixtrans-64.5-50.6175.1178.2-98000111.4I325 L326 A331 R332 H333I325-Y329 WeakPolarHBondContact O-CB 3.45Å; I325-Y329 PolarHBondContact O-N 3.13Å; L326-Y329 WeakPolarHBondContact O-CB 3.21Å; L326-Y329 PolarHBondContact O-N 3.25Å; Y329-A331 PolarHBondContact O-N 2.96Å; Y329-R332 PolarHBondContact O-N 2.65Å; Y329-R332 VanDerWaalsContact O-N 3.17Å; Y329-H333 AromaticContact CE2-CD2 3.88Å; Y329-H333 PolarHBondContact O-N 3.01Å; Y329-H333 VanDerWaalsContact O-N 3.09Å
330F70.7Confident67.5Low128 Ų128122.9 Ų122.956%0.56163%0.633SS**Hα-helixtrans-66.5-35.2177.1-81.7-69.2000112.9L326 R332 H333 K334L326-F330 HydrophobicContact CD2-CE2 4.32Å; L326-F330 VanDerWaalsContact O-CD2 3.25Å; L326-F330 WeakPolarHBondContact O-CD2 3.31Å; L326-F330 PolarHBondContact O-N 2.87Å; F330-R332 VanDerWaalsContact C-N 3.29Å; F330-R332 PolarHBondContact O-N 2.82Å; F330-H333 PolarHBondContact O-N 2.99Å; F330-K334 PolarHBondContact O-N 3.08Å; F330-K334 VanDerWaalsContact O-N 3.13Å
331A66.6Low65.2Low79 Ų79123.8 Ų123.865%0.65365%0.648SS**Hα-helixtrans-66.1-31173.500000112.6G327 Y329G327-A331 VanDerWaalsContact O-CB 3.23Å; G327-A331 WeakPolarHBondContact O-CB 3.49Å; G327-A331 PolarHBondContact O-N 2.77Å; Y329-A331 PolarHBondContact O-N 2.96Å
332R62.4Low62.9Low223 Ų223127.2 Ų127.284%0.84267%0.672SS**Hα-helixtrans-79.5-22.3174.9-81.3-177.2171.9177.3-2.7114.2R328 Y329 F330R328-R332 WeakPolarHBondContact O-CB 3.11Å; R328-R332 WeakPolarHBondContact O-CG 3.42Å; R328-R332 PolarHBondContact O-N 3.38Å; Y329-R332 PolarHBondContact O-N 2.65Å; Y329-R332 VanDerWaalsContact O-N 3.17Å; F330-R332 VanDerWaalsContact C-N 3.29Å; F330-R332 PolarHBondContact O-N 2.82Å
333H63Low61.3Low131 Ų131128.3 Ų128.361%0.60669%0.685SS**Hα-helixtrans-1119.1-176.5-86-77.5000115.5Y329 F330 G335Y329-H333 AromaticContact CE2-CD2 3.88Å; Y329-H333 PolarHBondContact O-N 3.01Å; Y329-H333 VanDerWaalsContact O-N 3.09Å; F330-H333 PolarHBondContact O-N 2.99Å; H333-G335 PolarHBondContact O-N 3.37Å
334K53.6Low59.2Low195 Ų195134 Ų13485%0.84870%0.698SS**  trans-78.870.8163.5-90-172.2175.2-179.40111F330F330-K334 PolarHBondContact O-N 3.08Å; F330-K334 VanDerWaalsContact O-N 3.13Å
335G53.7Low57.2Low62 Ų62137.1 Ų137.164%0.63971%0.714SS**SBendtrans-152.1110.9165.500000108.4H333H333-G335 PolarHBondContact O-N 3.37Å
336L46.6Very low55.4Low154 Ų154144.9 Ų144.981%0.80674%0.744SS**  trans89.690.5167.5-145.676.1000117.6
337F41.8Very low54Low213 Ų213148.1 Ų148.193%0.93476%0.76SS**  trans-141.699136.3-98.6-78.5000109.3
338S37.8Very low52.7Low96 Ų96153.6 Ų153.667%0.67178%0.777SS**  trans-75.9131.5162.752.40000109.5
339L43.2Very low51.2Low174 Ų174151.9 Ų151.991%0.91178%0.781SS**  trans-67.3129.9170.4-75.5141.4000110.9
340T37Very low49.8Very low125 Ų125153.1 Ų153.177%0.76780%0.797SS**  trans-139118.515446.30000111.3
341S41.3Very low48.5Very low115 Ų115154.6 Ų154.680%0.80481%0.811SS**  trans51.8125.5143.465.40000120.6
342S40.1Very low47.3Very low117 Ų117159.7 Ų159.782%0.81882%0.822SS**  trans-144.1136136.7-168.50000110.7
343P56Low46.2Very low117 Ų117155.1 Ų155.176%0.7682%0.821SS**  trans-92.8169.2178.136.7-31.9000113.4
344R42.2Very low44.9Very low232 Ų232157 Ų15788%0.87584%0.837SS**  trans-38.9158.3169.7-66.9175.6-179.7171.5-0.8114.9
345I44.9Very low44.2Very low168 Ų168153.8 Ų153.886%0.86284%0.836SS**  -160.9154.2112.4-87.8144000109.3
346K45.4Very low43.3Very low273 Ų273162.2 Ų162.2100%1.18785%0.854SS**  trans-43.10-176-66.6172.5174.6177.40117.5

Retrieved 346 of 346 residues in 697.2 ms (Link to these results)

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