A0A087XJ91_POEFO Loading...

Dihydropyrimidine dehydrogenase [NADP(+)]

Involved in pyrimidine base degradation. Catalyzes the reduction of uracil and thymine.

AlphaFold DB , UniProt , Accession A0A087XJ91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,026 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
1M53.3Low80.2Confident185 Ų185136.5 Ų136.591%0.91168%0.676SS**  01300-83.6175.6176.700108.8R3 I1020 P1021M1-R3 PolarHBondContact O-N 3.48Å; M1-R3 VanDerWaalsContact O-N 3.08Å; M1-I1020 HydrophobicContact CE-CB 4.22Å; M1-I1020 HydrophobicContact CE-CG2 4.34Å; M1-P1021 HydrophobicContact CE-CG 4.45Å
2N51.3Low81.5Confident120 Ų120133.3 Ų133.364%0.64267%0.673SS**  trans-67.9106174.1-147.6-6.6000107.3N4 I5N2-N4 PolarHBondContact O-N 2.96Å; N2-I5 HydrophobicContact CB-CD1 4.3Å; N2-I5 HydrophobicContact CB-CG1 4.45Å; N2-I5 PolarHBondContact O-N 3.29Å
3R57.8Low82.6Confident246 Ų246130.5 Ų130.593%0.92866%0.661SS**THydrogen-bonded Turntrans-60.2-2.6-174.3-79.1-175.8176.3-179.9-0.7114.1M1M1-R3 PolarHBondContact O-N 3.48Å; M1-R3 VanDerWaalsContact O-N 3.08Å
4N70.6Confident83.6Confident144 Ų144123.6 Ų123.677%0.7763%0.626SS**THydrogen-bonded Turntrans-99.4-6.1-175.8-68.8-12.8000114.9N2N2-N4 PolarHBondContact O-N 2.96Å
5I81.8Confident84.5Confident105 Ų105121.3 Ų121.354%0.53861%0.612SS.*  trans-91.6121.5178.5-59176000109.8N2 L11N2-I5 HydrophobicContact CB-CD1 4.3Å; N2-I5 HydrophobicContact CB-CG1 4.45Å; N2-I5 PolarHBondContact O-N 3.29Å; I5-L11 HydrophobicContact CG2-CD2 4.4Å
6K91.1Very high85.3Confident154 Ų154119 Ų11967%0.6761%0.611SS**  trans-88112.6174.7-68.2-174.1178.6-175.70109.6S8 K9K6-S8 PolarHBondContact O-N 3.16Å; K6-K9 HydrophobicContact CB-CB 3.94Å; K6-K9 PolarHBondContact O-N 3.24Å; K6-K9 VanDerWaalsContact O-N 3.12Å
7L92.8Very high86Confident134 Ų134113.7 Ų113.770%0.70258%0.584SS**THydrogen-bonded Turntrans-59.5-32-178.5-62.6176.2000113.8K9 I1020L7-K9 PolarHBondContact O-N 3.16Å; L7-I1020 HydrophobicContact CD1-CG2 3.64Å; L7-I1020 HydrophobicContact CD2-CG2 4.22Å
8S95.5Very high86.7Confident122 Ų122108.6 Ų108.685%0.85356%0.558SS**THydrogen-bonded Turntrans-88.717.4-179.568.30000113.1K6K6-S8 PolarHBondContact O-N 3.16Å
9K95.9Very high87.3Confident124 Ų124105.9 Ų105.954%0.53955%0.553SS.*SBendtrans-125130.4178.5-166.2-170.3173.9-162.70108.4K6 L7 L11 E15K6-K9 HydrophobicContact CB-CB 3.94Å; K6-K9 PolarHBondContact O-N 3.24Å; K6-K9 VanDerWaalsContact O-N 3.12Å; L7-K9 PolarHBondContact O-N 3.16Å; K9-L11 PolarHBondContact O-N 2.97Å; K9-E15 WeakPolarHBondContact CE-OE1 3.43Å; K9-E15 IonicContact NZ-OE1 2.71Å; K9-E15 PolarHBondContact NZ-OE1 3.49Å
10D96.9Very high87.8Confident76 Ų76104.4 Ų104.441%0.40655%0.545SS..  trans-56.2137.7171-65.5-44.6000110.4I14 E15D10-I14 HydrophobicContact CB-CB 4.03Å; D10-I14 HydrophobicContact CB-CG2 3.89Å; D10-I14 WeakPolarHBondContact OD1-CG2 3.44Å; D10-E15 HydrophobicContact CB-CG 3.85Å
11L95.3Very high88.3Confident91 Ų91100.2 Ų100.248%0.47652%0.524SS..  trans-74.7160.1170.9-67.2178.6000109.6I5 K9 D13 I14 E15I5-L11 HydrophobicContact CG2-CD2 4.4Å; K9-L11 PolarHBondContact O-N 2.97Å; L11-D13 WeakPolarHBondContact CB-OD1 3.41Å; L11-D13 PolarHBondContact O-N 3.37Å; L11-D13 VanDerWaalsContact O-N 3.11Å; L11-I14 PolarHBondContact O-N 3.41Å; L11-E15 PolarHBondContact O-N 3.26Å
12P95.7Very high90.4Very high98 Ų9895.1 Ų95.164%0.63650%0.504SS*.Hα-helixtrans-56-31.1-174.5-2936.7000115.3S16P12-S16 WeakPolarHBondContact O-CB 3.42Å; P12-S16 PolarHBondContact O-N 2.76Å
13D95.7Very high92.6Very high98 Ų9895.9 Ų95.952%0.52450%0.498SS..Hα-helixtrans-67.6-42.5174.558.6-32.7000112.1L11 S16 I17L11-D13 WeakPolarHBondContact CB-OD1 3.41Å; L11-D13 PolarHBondContact O-N 3.37Å; L11-D13 VanDerWaalsContact O-N 3.11Å; D13-S16 WeakPolarHBondContact O-CB 3.05Å; D13-S16 PolarHBondContact O-N 3.42Å; D13-I17 WeakPolarHBondContact O-CG1 2.83Å; D13-I17 PolarHBondContact O-N 3.19Å
14I97.4Very high94.5Very high33 Ų3391.2 Ų91.217%0.16950%0.497CS..Hα-helixtrans-69-42.4173.8-55.9-55.5000110.9D10 L11 S16 I17 L18 Q972D10-I14 HydrophobicContact CB-CB 4.03Å; D10-I14 HydrophobicContact CB-CG2 3.89Å; D10-I14 WeakPolarHBondContact OD1-CG2 3.44Å; L11-I14 PolarHBondContact O-N 3.41Å; I14-S16 PolarHBondContact O-N 3.35Å; I14-I17 HydrophobicContact CD1-CD1 4.35Å; I14-I17 PolarHBondContact O-N 2.06Å; I14-I17 VanDerWaalsContact O-N 3.09Å; I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.28Å; I14-L18 WeakPolarHBondContact O-CB 3.18Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.34Å; I14-Q972 HydrophobicContact CG2-CB 3.99Å; I14-Q972 HydrophobicContact CG2-CG 3.94Å
15E97.1Very high95.8Very high89 Ų8990.5 Ų90.542%0.41649%0.487SS..Hα-helixtrans-55.5-38.3172.6-69.9-178.4165.400110.9K9 D10 L11 L18 A19K9-E15 WeakPolarHBondContact CE-OE1 3.43Å; K9-E15 IonicContact NZ-OE1 2.71Å; K9-E15 PolarHBondContact NZ-OE1 3.49Å; D10-E15 HydrophobicContact CB-CG 3.85Å; L11-E15 PolarHBondContact O-N 3.26Å; E15-L18 PolarHBondContact O-N 3.45Å; E15-A19 PolarHBondContact O-N 3.05Å
16S96.6Very high96.5Very high85 Ų8590.6 Ų90.659%0.59450%0.497SS*.Hα-helixtrans-68-43174.8-173.30000112.9P12 D13 I14 L18 A19P12-S16 WeakPolarHBondContact O-CB 3.42Å; P12-S16 PolarHBondContact O-N 2.76Å; D13-S16 WeakPolarHBondContact O-CB 3.05Å; D13-S16 PolarHBondContact O-N 3.42Å; I14-S16 PolarHBondContact O-N 3.35Å; S16-L18 PolarHBondContact O-N 3Å; S16-A19 VanDerWaalsContact O-CB 3.23Å; S16-A19 WeakPolarHBondContact O-CB 3.42Å; S16-A19 PolarHBondContact O-N 3.19Å
17I97.3Very high96.8Very high29 Ų2990.4 Ų90.415%0.14950%0.498CS..Hα-helixtrans-59.6-41.3174.8-71.7175.9000110.1D13 I14 A19 Y963 I974 Q975D13-I17 WeakPolarHBondContact O-CG1 2.83Å; D13-I17 PolarHBondContact O-N 3.19Å; I14-I17 HydrophobicContact CD1-CD1 4.35Å; I14-I17 PolarHBondContact O-N 2.06Å; I14-I17 VanDerWaalsContact O-N 3.09Å; I17-A19 PolarHBondContact O-N 3.38Å; I17-Y963 HydrophobicContact CG2-CE2 4.34Å; I17-Y963 WeakPolarHBondContact O-CE2 3.37Å; I17-Y963 PolarHBondContact O-OH 3.25Å; I17-I974 WeakPolarHBondContact CG2-O 3.24Å; I17-Q975 HydrophobicContact CG1-CG 4.22Å
18L98.2Very high97Very high22 Ų2288.9 Ų88.912%0.11551%0.505CS..G310 helixtrans-76.87-178.6-64.6177.2000114.3I14 E15 S16 L20 N21 R23 Y963 N967 Q972I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.28Å; I14-L18 WeakPolarHBondContact O-CB 3.18Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.34Å; E15-L18 PolarHBondContact O-N 3.45Å; S16-L18 PolarHBondContact O-N 3Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.31Å; L18-L20 VanDerWaalsContact O-N 3.17Å; L18-N21 HydrophobicContact CB-CB 4.31Å; L18-N21 HydrophobicContact CD2-CB 4.2Å; L18-N21 VanDerWaalsContact O-CB 3.29Å; L18-N21 WeakPolarHBondContact O-CB 3.12Å; L18-N21 PolarHBondContact O-N 2.93Å; L18-R23 PolarHBondContact O-NH1 2.75Å; L18-Y963 WeakPolarHBondContact CA-OH 3.15Å; L18-N967 HydrophobicContact CD2-CB 3.56Å; L18-Q972 HydrophobicContact CD1-CG 4.37Å; L18-Q972 HydrophobicContact CD2-CG 4Å; L18-Q972 HydrophobicContact CG-CG 4.4Å
19A97.8Very high97Very high57 Ų5789.1 Ų89.147%0.47149%0.492SS..G310 helixtrans-53.9-41.5-174.200000113E15 S16 I17 R23E15-A19 PolarHBondContact O-N 3.05Å; S16-A19 VanDerWaalsContact O-CB 3.23Å; S16-A19 WeakPolarHBondContact O-CB 3.42Å; S16-A19 PolarHBondContact O-N 3.19Å; I17-A19 PolarHBondContact O-N 3.38Å; A19-R23 PolarHBondContact O-NH2 3.16Å
20L97.9Very high97.1Very high76 Ų7691 Ų9140%0.39851%0.507SS..G310 helixtrans-94.73.5180-60.4177000114L18 Y963 F976 P978L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.31Å; L18-L20 VanDerWaalsContact O-N 3.17Å; L20-Y963 HydrophobicContact CB-CE1 4.18Å; L20-Y963 PolarHBondContact N-OH 3.02Å; L20-F976 HydrophobicContact CB-CD1 4.41Å; L20-F976 HydrophobicContact CD1-CD1 3.73Å; L20-F976 HydrophobicContact CD1-CE1 4.48Å; L20-F976 VanDerWaalsContact CD1-O 3.31Å; L20-F976 WeakPolarHBondContact CD1-O 3.45Å; L20-P978 HydrophobicContact CD1-CB 3.94Å; L20-P978 HydrophobicContact CD2-CB 4.36Å
21N98.4Very high97.1Very high17 Ų1792.5 Ų92.59%0.09151%0.51CS..SBendtrans-63.4135.6-178.6-158.947.5000109.8L18 R23 Y963 N967 D968L18-N21 HydrophobicContact CB-CB 4.31Å; L18-N21 HydrophobicContact CD2-CB 4.2Å; L18-N21 VanDerWaalsContact O-CB 3.29Å; L18-N21 WeakPolarHBondContact O-CB 3.12Å; L18-N21 PolarHBondContact O-N 2.93Å; N21-R23 PolarHBondContact O-N 3.3Å; N21-R23 PolarHBondContact O-NH1 3.45Å; N21-Y963 HydrophobicContact CB-CE1 4.33Å; N21-Y963 PolarHBondContact N-OH 3Å; N21-N967 PolarHBondContact OD1-ND2 3.43Å; N21-D968 PolarHBondContact ND2-OD1 3.48Å
22P98.1Very high97.2Very high77 Ų7791 Ų9150%0.551%0.507SS..  trans-56.1130.6179.7-25.734.5000111.8M964P22-M964 HydrophobicContact CG-CG 3.99Å; P22-M964 HydrophobicContact CG-SD 3.57Å; P22-M964 VanDerWaalsContact CG-SD 3.57Å
23R97.3Very high97.3Very high137 Ų13791.4 Ų91.452%0.51751%0.508SS..  trans-135.9137.3176.3-70-176.4-73-83.1-1.3109.5L18 A19 N21 K25L18-R23 PolarHBondContact O-NH1 2.75Å; A19-R23 PolarHBondContact O-NH2 3.16Å; N21-R23 PolarHBondContact O-N 3.3Å; N21-R23 PolarHBondContact O-NH1 3.45Å; R23-K25 PolarHBondContact O-N 3.23Å
24V97.6Very high97.4Very high148 Ų14890.2 Ų90.290%0.89751%0.512SS*.  trans-58.3127.3173.9-179.20000108.8
25K96.4Very high97.4Very high129 Ų12991.6 Ų91.656%0.56152%0.524SS*.  trans-85.3134.1176.6-56.7-57.4-176.3-174.20109.1R23R23-K25 PolarHBondContact O-N 3.23Å
26S97.5Very high97.4Very high107 Ų10791.5 Ų91.575%0.74852%0.522SS*.SBendtrans-87.6-13.8177.551.80000113.6
27H97.5Very high97.3Very high150 Ų15094.1 Ų94.169%0.69452%0.523SS*.SBendtrans-141.2157.1-177-60.779.9000110
28A97.1Very high97.2Very high102 Ų102100.9 Ų100.984%0.84355%0.551SS**  trans-60.8142167.400000110.3
29Q95.8Very high97.1Very high127 Ų127103.5 Ų103.559%0.59356%0.563SS**  trans-84.5143.3176.1-59.8-174.3-63.400110.4F31Q29-F31 HydrophobicContact CB-CD2 4.05Å; Q29-F31 HydrophobicContact CB-CE2 3.55Å; Q29-F31 HydrophobicContact CB-CZ 4.4Å; Q29-F31 HydrophobicContact CG-CE2 4.31Å
30I96.6Very high97Very high164 Ų164107.4 Ų107.484%0.84157%0.569SS**  trans-106.3120.5175.8-170.8169.5000110.2
31F96.8Very high96.8Very high106 Ų106110.4 Ų110.447%0.46558%0.579SS.*  trans-141.2135.8172-61.4-77000108.9Q29 K36Q29-F31 HydrophobicContact CB-CD2 4.05Å; Q29-F31 HydrophobicContact CB-CE2 3.55Å; Q29-F31 HydrophobicContact CB-CZ 4.4Å; Q29-F31 HydrophobicContact CG-CE2 4.31Å; F31-K36 HydrophobicContact CB-CG 4.06Å
32S97.8Very high96.7Very high61 Ų61111.3 Ų111.343%0.42758%0.583SS.*  trans-69.8149.6173.981.70000111A34 S35 K36S32-A34 PolarHBondContact O-N 3.41Å; S32-A34 PolarHBondContact OG-N 3.07Å; S32-S35 PolarHBondContact O-N 3.16Å; S32-S35 VanDerWaalsContact O-N 3.13Å; S32-S35 WeakPolarHBondContact OG-CB 3.41Å; S32-S35 PolarHBondContact OG-N 2.65Å; S32-S35 PolarHBondContact OG-OG 3.42Å; S32-K36 PolarHBondContact O-N 3.32Å
33T97.8Very high96.6Very high106 Ų106111.5 Ų111.565%0.6557%0.573SS**Hα-helixtrans-54.7-36171-60.90000111.8K36 K37T33-K36 PolarHBondContact O-N 3.5Å; T33-K37 HydrophobicContact CG2-CD 4.48Å; T33-K37 WeakPolarHBondContact O-CG 3.44Å; T33-K37 PolarHBondContact O-N 3.02Å
34A97.5Very high96.5Very high73 Ų73107.4 Ų107.460%0.60356%0.56SS**Hα-helixtrans-63.4-47.2177.300000111.7S32 K36 K37 K38S32-A34 PolarHBondContact O-N 3.41Å; S32-A34 PolarHBondContact OG-N 3.07Å; A34-K36 PolarHBondContact O-N 3.05Å; A34-K37 PolarHBondContact O-N 3.36Å; A34-K38 PolarHBondContact O-N 3.22Å; A34-K38 VanDerWaalsContact O-N 3.13Å
35S97.1Very high96.4Very high62 Ų62105.7 Ų105.743%0.43454%0.537SS..Hα-helixtrans-59.8-45.2175.8-53.80000111.3S32 K37 K38 E39S32-S35 PolarHBondContact O-N 3.16Å; S32-S35 VanDerWaalsContact O-N 3.13Å; S32-S35 WeakPolarHBondContact OG-CB 3.41Å; S32-S35 PolarHBondContact OG-N 2.65Å; S32-S35 PolarHBondContact OG-OG 3.42Å; S35-K37 PolarHBondContact O-N 3.04Å; S35-K38 WeakPolarHBondContact O-CB 3.45Å; S35-K38 PolarHBondContact O-N 2.67Å; S35-E39 WeakPolarHBondContact O-CB 3.31Å; S35-E39 PolarHBondContact O-N 3.22Å
36K97.4Very high96.3Very high87 Ų87104.6 Ų104.638%0.37854%0.537SS..Hα-helixtrans-65-37.2178.4-75.7-71.9168.8-157.60113.1F31 S32 T33 A34 K38 E39 K40F31-K36 HydrophobicContact CB-CG 4.06Å; S32-K36 PolarHBondContact O-N 3.32Å; T33-K36 PolarHBondContact O-N 3.5Å; A34-K36 PolarHBondContact O-N 3.05Å; K36-K38 VanDerWaalsContact C-N 3.32Å; K36-K38 PolarHBondContact O-N 2.91Å; K36-E39 WeakPolarHBondContact CD-OE2 3.24Å; K36-E39 WeakPolarHBondContact CE-OE2 3.39Å; K36-E39 IonicContact NZ-OE1 3.04Å; K36-E39 IonicContact NZ-OE2 3.15Å; K36-E39 PolarHBondContact NZ-OE2 3.42Å; K36-E39 PolarHBondContact O-N 3.02Å; K36-K40 WeakPolarHBondContact O-CB 3.45Å; K36-K40 PolarHBondContact O-N 2.96Å
37K95.3Very high95.9Very high140 Ų140103.9 Ų103.961%0.60953%0.53SS*.Hα-helixtrans-62.8-37.8173.5-79.3-177.7176.7-178.80112.1T33 A34 S35T33-K37 HydrophobicContact CG2-CD 4.48Å; T33-K37 WeakPolarHBondContact O-CG 3.44Å; T33-K37 PolarHBondContact O-N 3.02Å; A34-K37 PolarHBondContact O-N 3.36Å; S35-K37 PolarHBondContact O-N 3.04Å
38K95Very high95.2Very high171 Ų171100.1 Ų100.174%0.74351%0.513SS*.Hα-helixtrans-68.5-50.4175.4-172.5-179.2178-175.90111.2A34 S35 K36 K40 K41A34-K38 PolarHBondContact O-N 3.22Å; A34-K38 VanDerWaalsContact O-N 3.13Å; S35-K38 WeakPolarHBondContact O-CB 3.45Å; S35-K38 PolarHBondContact O-N 2.67Å; K36-K38 VanDerWaalsContact C-N 3.32Å; K36-K38 PolarHBondContact O-N 2.91Å; K38-K40 VanDerWaalsContact C-N 3.32Å; K38-K40 PolarHBondContact O-N 2.95Å; K38-K41 PolarHBondContact O-N 3.18Å
39E95.8Very high94.4Very high76 Ų76106.6 Ų106.636%0.35552%0.515SS..Hα-helixtrans-59.7-38.7-179.9-173.7-175.5-179.400112.5S35 K36 K41 H42 W43S35-E39 WeakPolarHBondContact O-CB 3.31Å; S35-E39 PolarHBondContact O-N 3.22Å; K36-E39 WeakPolarHBondContact CD-OE2 3.24Å; K36-E39 WeakPolarHBondContact CE-OE2 3.39Å; K36-E39 IonicContact NZ-OE1 3.04Å; K36-E39 IonicContact NZ-OE2 3.15Å; K36-E39 PolarHBondContact NZ-OE2 3.42Å; K36-E39 PolarHBondContact O-N 3.02Å; E39-K41 PolarHBondContact O-N 3.2Å; E39-K41 VanDerWaalsContact O-N 3.09Å; E39-H42 VanDerWaalsContact O-CB 3.31Å; E39-H42 WeakPolarHBondContact O-CB 3.23Å; E39-H42 PolarHBondContact O-N 2.91Å; E39-W43 VanDerWaalsContact O-CD1 3.29Å
40K95.6Very high93.4Very high140 Ų140107.4 Ų107.461%0.60952%0.524SS*.Hα-helixtrans-54.2-32.9-180-173.7-179.468.8174.30113.8K36 K38 H42K36-K40 WeakPolarHBondContact O-CB 3.45Å; K36-K40 PolarHBondContact O-N 2.96Å; K38-K40 VanDerWaalsContact C-N 3.32Å; K38-K40 PolarHBondContact O-N 2.95Å; K40-H42 VanDerWaalsContact C-N 3.31Å
41K94.7Very high92.4Very high139 Ų139101.7 Ų101.760%0.60450%0.498SS*.Hα-helixtrans-68-33.7179.5-65.6-173.9176-1710112K38 E39 W43K38-K41 PolarHBondContact O-N 3.18Å; E39-K41 PolarHBondContact O-N 3.2Å; E39-K41 VanDerWaalsContact O-N 3.09Å; K41-W43 VanDerWaalsContact C-N 3.32Å; K41-W43 PolarHBondContact O-N 3.37Å
42H96.1Very high91.2Very high35 Ų35103.8 Ų103.816%0.16251%0.514CS..Hα-helixtrans-64.3-37.1179.5-16879.3000112.2E39 K40 F880 G881 Y883 E979E39-H42 VanDerWaalsContact O-CB 3.31Å; E39-H42 WeakPolarHBondContact O-CB 3.23Å; E39-H42 PolarHBondContact O-N 2.91Å; K40-H42 VanDerWaalsContact C-N 3.31Å; H42-F880 WeakPolarHBondContact O-CD2 3.32Å; H42-G881 VanDerWaalsContact O-CA 3.25Å; H42-G881 WeakPolarHBondContact O-CA 3.49Å; H42-Y883 AromaticContact CE1-CE2 3.73Å; H42-Y883 AromaticContact CE1-CZ 3.87Å; H42-Y883 PolarHBondContact CE1-OH 3.32Å; H42-Y883 VanDerWaalsContact CE1-OH 3.3Å; H42-Y883 AromaticContact NE2-CE2 3.88Å; H42-E979 IonicContact CE1-OE2 2.93Å; H42-E979 PolarHBondContact CE1-OE2 2.77Å; H42-E979 PolarHBondContact NE2-O 2.95Å; H42-E979 IonicContact NE2-OE2 3.88Å
43W96.5Very high90.1Very high81 Ų81104.8 Ų104.831%0.30752%0.521SS..THydrogen-bonded Turntrans-98.98.6-173.3-53.4111.2000114.5E39 K41 R45 F880 P978 E979 H981E39-W43 VanDerWaalsContact O-CD1 3.29Å; K41-W43 VanDerWaalsContact C-N 3.32Å; K41-W43 PolarHBondContact O-N 3.37Å; W43-R45 PolarHBondContact O-N 3.22Å; W43-F880 HydrophobicContact CE3-CD2 4.21Å; W43-F880 AromaticContact CE3-CE2 3.54Å; W43-F880 HydrophobicContact CE3-CE2 3.54Å; W43-F880 AromaticContact CE3-CZ 3.91Å; W43-F880 HydrophobicContact CE3-CZ 3.91Å; W43-F880 AromaticContact CZ3-CE2 3.72Å; W43-F880 HydrophobicContact CZ3-CE2 3.72Å; W43-F880 AromaticContact CZ3-CZ 3.73Å; W43-F880 HydrophobicContact CZ3-CZ 3.73Å; W43-P978 WeakPolarHBondContact CH2-O 3.47Å; W43-E979 WeakPolarHBondContact CZ3-O 3.3Å; W43-H981 AromaticContact CH2-CD2 3.59Å; W43-H981 AromaticContact CH2-CE1 3.74Å; W43-H981 AromaticContact CH2-NE2 3.3Å; W43-H981 VanDerWaalsContact CH2-NE2 3.3Å; W43-H981 WeakPolarHBondContact CH2-NE2 3.48Å; W43-H981 AromaticContact CZ3-CD2 3.67Å; W43-H981 AromaticContact CZ3-CE1 3.6Å; W43-H981 AromaticContact CZ3-CG 3.78Å; W43-H981 AromaticContact CZ3-ND1 3.74Å; W43-H981 AromaticContact CZ3-NE2 3.59Å
44K95.6Very high89Confident52 Ų52101.7 Ų101.723%0.22650%0.503CS..  trans-68.9121.8-168.5-173.460.4165.6151.70112N46 P47 E48 F880 G881K44-N46 WeakPolarHBondContact CE-O 3.27Å; K44-N46 PolarHBondContact NZ-O 3.05Å; K44-N46 PolarHBondContact NZ-OD1 3.49Å; K44-P47 WeakPolarHBondContact CE-O 3.39Å; K44-P47 PolarHBondContact NZ-O 2.9Å; K44-E48 HydrophobicContact CG-CG 4.14Å; K44-F880 CarbonylContact O-C 3.26Å; K44-F880 WeakPolarHBondContact O-CA 3.26Å; K44-G881 PolarHBondContact O-N 3.08Å
45R95.2Very high88.3Confident111 Ų111103.3 Ų103.342%0.41950%0.501SS..  trans-102.9-42-179.4-71.8-86-174.7177.36.5114.1W43 S879 F880 I957 N958W43-R45 PolarHBondContact O-N 3.22Å; R45-S879 WeakPolarHBondContact CD-O 3.38Å; R45-S879 PolarHBondContact NH1-O 3.02Å; R45-F880 HydrophobicContact CG-CB 4.07Å; R45-I957 PolarHBondContact NH2-O 3.14Å; R45-N958 PolarHBondContact NH2-OD1 2.87Å
46N93.4Very high88Confident106 Ų106108.6 Ų108.657%0.56752%0.517SS*.SBendtrans-96.5165.3-176.367.7-39.2000111.4K44K44-N46 WeakPolarHBondContact CE-O 3.27Å; K44-N46 PolarHBondContact NZ-O 3.05Å; K44-N46 PolarHBondContact NZ-OD1 3.49Å
47P88.4Confident87.9Confident93 Ų93105.6 Ų105.660%0.60450%0.504SS*.PPolyproline II helixtrans-49.8144.1179.8-29.536.3000113.8K44K44-P47 WeakPolarHBondContact CE-O 3.39Å; K44-P47 PolarHBondContact NZ-O 2.9Å
48E84.4Confident87.8Confident71 Ų71102.3 Ų102.333%0.33249%0.491SS..PPolyproline II helixtrans-79.9131.2171.2-65.1-156.9156.300110.2K44 N50 C51K44-E48 HydrophobicContact CG-CG 4.14Å; E48-N50 PolarHBondContact O-N 3.5Å; E48-C51 HydrophobicContact CB-CB 4.02Å; E48-C51 PolarHBondContact O-N 2.81Å
49R79.1Confident87.8Confident237 Ų23795.1 Ų95.189%0.89446%0.461SS*.THydrogen-bonded Turntrans-64.2-27.9178.2-70.4-173.4179.1-178.5-1.3112.9
50N76.3Confident87.7Confident144 Ų14492.4 Ų92.477%0.7745%0.449SS*.THydrogen-bonded Turntrans-101.716.3-175.9-57.35.6000112.5E48E48-N50 PolarHBondContact O-N 3.5Å
51C74.6Confident87.7Confident44 Ų4487 Ų8730%0.29743%0.426SS..  trans-92.7106.4173.9-176.40000108.7E48 K386E48-C51 HydrophobicContact CB-CB 4.02Å; E48-C51 PolarHBondContact O-N 2.81Å; C51-K386 WeakPolarHBondContact O-CE 3.31Å; C51-K386 PolarHBondContact O-NZ 2.82Å
52D71.7Confident87.7Confident150 Ų15082.9 Ų82.980%0.80241%0.41SS*.  trans-94.6-7.9-174.6-58.3-27000112.7
53S75.2Confident87.7Confident82 Ų8283.3 Ų83.357%0.57341%0.413SS*.SBendtrans-95.3131.8177.257.70000111.7
54C73.4Confident87.8Confident41 Ų4180.9 Ų80.928%0.27741%0.406SS..PPolyproline II helixtrans-61.4144.2166.7-173.60000110.5E385 K386C54-E385 PolarHBondContact SG-O 3.12Å; C54-K386 HydrophobicContact CB-CB 4.1Å; C54-K386 HydrophobicContact CB-CG 4.34Å
55L83.6Confident87.9Confident108 Ų10878.9 Ų78.957%0.56540%0.397SS*.PPolyproline II helixtrans-63.6153.4167.9-65.6173.4000109.6L57 T888L55-L57 HydrophobicContact CB-CD2 4.48Å; L55-L57 HydrophobicContact CB-CG 4.48Å; L55-L57 PolarHBondContact O-N 3.16Å; L55-L57 VanDerWaalsContact O-N 3.08Å; L55-T888 HydrophobicContact CD1-CG2 3.95Å; L55-T888 HydrophobicContact CD2-CG2 3.8Å; L55-T888 HydrophobicContact CG-CG2 4.32Å
56K90.9Very high88Confident173 Ų17379.1 Ų79.175%0.75240%0.403SS*.  trans-73.3104.9174.3-69-179.6-177.2176.60109.2A892K56-A892 HydrophobicContact CB-CB 3.81Å; K56-A892 WeakPolarHBondContact O-CB 3.37Å
57L94.7Very high88.3Confident24 Ų2476 Ų7613%0.12639%0.388CS..  trans-107.87.2-177-64.3175000113.8L55 N59 N60 L354 R355 E385L55-L57 HydrophobicContact CB-CD2 4.48Å; L55-L57 HydrophobicContact CB-CG 4.48Å; L55-L57 PolarHBondContact O-N 3.16Å; L55-L57 VanDerWaalsContact O-N 3.08Å; L57-N59 PolarHBondContact O-N 2.75Å; L57-N60 WeakPolarHBondContact O-CB 3.44Å; L57-N60 PolarHBondContact O-N 3.02Å; L57-L354 HydrophobicContact CB-CB 4.45Å; L57-L354 HydrophobicContact CD1-CD1 4.31Å; L57-R355 WeakPolarHBondContact O-CA 3.42Å; L57-E385 HydrophobicContact CD1-CB 4.17Å; L57-E385 VanDerWaalsContact CD1-CD 3.47Å; L57-E385 HydrophobicContact CD1-CG 3.75Å
58E94.4Very high88.8Confident70 Ų7072.3 Ų72.333%0.32736%0.364SS..THydrogen-bonded Turntrans-53.2126.6178.3-170.1-174.7165.800111.1N60 R355 R899E58-N60 PolarHBondContact O-N 3.29Å; E58-N60 VanDerWaalsContact O-N 3.09Å; E58-R355 CarbonylContact C-O 3.58Å; E58-R355 WeakPolarHBondContact CA-O 3.49Å; E58-R899 VanDerWaalsContact CD-NH1 3.33Å; E58-R899 VanDerWaalsContact CG-NH1 3.29Å; E58-R899 VanDerWaalsContact OE1-CD 3.23Å; E58-R899 WeakPolarHBondContact OE1-CD 3.32Å; E58-R899 IonicContact OE1-CZ 3.88Å; E58-R899 IonicContact OE1-NE 2.76Å; E58-R899 IonicContact OE1-NH1 3.79Å; E58-R899 PolarHBondContact OE1-NH1 3.41Å
59N94.1Very high89.5Confident20 Ų2070.4 Ų70.411%0.10736%0.355CS..THydrogen-bonded Turntrans56.817.1-176.7-162.742.8000115.3L57 R355 K895 R899L57-N59 PolarHBondContact O-N 2.75Å; N59-R355 PolarHBondContact N-O 3.48Å; N59-K895 PolarHBondContact ND2-O 3.43Å; N59-R899 HydrophobicContact CB-CB 4Å; N59-R899 HydrophobicContact CB-CG 4.38Å; N59-R899 PolarHBondContact ND2-N 3.29Å
60N94.7Very high90.4Very high19 Ų1959.6 Ų59.610%0.10232%0.316CS..  trans-94.5105.5176.9-168-15.9000111.5L57 E58 D62 R355 K895L57-N60 WeakPolarHBondContact O-CB 3.44Å; L57-N60 PolarHBondContact O-N 3.02Å; E58-N60 PolarHBondContact O-N 3.29Å; E58-N60 VanDerWaalsContact O-N 3.09Å; N60-D62 VanDerWaalsContact OD1-CB 3.28Å; N60-D62 WeakPolarHBondContact OD1-CB 3.41Å; N60-D62 PolarHBondContact OD1-N 3.09Å; N60-D62 PolarHBondContact OD1-OD2 3.18Å; N60-D62 VanDerWaalsContact OD1-OD2 3.07Å; N60-R355 WeakPolarHBondContact O-CG 3.44Å; N60-R355 PolarHBondContact O-NE 3.31Å; N60-K895 HydrophobicContact CB-CG 4.14Å
61F94.7Very high91.4Very high28 Ų2853.9 Ų53.912%0.12329%0.285CS..  trans-109.622.4176.8-61.6-87.1000113.2Q235 F236 V315 S319 L330 R355F61-Q235 HydrophobicContact CB-CB 4.2Å; F61-Q235 HydrophobicContact CB-CG 4.01Å; F61-Q235 HydrophobicContact CD1-CB 4.09Å; F61-Q235 HydrophobicContact CG-CB 4.45Å; F61-F236 AromaticContact CD1-CD1 3.74Å; F61-F236 HydrophobicContact CD1-CD1 3.74Å; F61-F236 HydrophobicContact CD1-CE1 4.3Å; F61-F236 HydrophobicContact CE1-CD1 4.32Å; F61-F236 HydrophobicContact CE1-CE1 4.45Å; F61-V315 HydrophobicContact CE1-CG1 3.89Å; F61-V315 HydrophobicContact CZ-CG1 4.13Å; F61-S319 VanDerWaalsContact CE1-CB 3.48Å; F61-L330 HydrophobicContact CE2-CD1 4.43Å; F61-L330 HydrophobicContact CE2-CD2 4.35Å; F61-L330 HydrophobicContact CZ-CD1 3.83Å; F61-L330 HydrophobicContact CZ-CD2 4.33Å; F61-R355 HydrophobicContact CD1-CG 4.25Å; F61-R355 HydrophobicContact CE1-CB 4.05Å; F61-R355 HydrophobicContact CE1-CG 3.91Å; F61-R355 HydrophobicContact CE2-CB 4.43Å; F61-R355 HydrophobicContact CE2-CG 4.41Å; F61-R355 HydrophobicContact CZ-CB 3.8Å; F61-R355 HydrophobicContact CZ-CG 4Å
62D94.9Very high92.6Very high52 Ų5255.4 Ų55.428%0.27829%0.285SS..  trans-60.7148.5173.6-63-23.4000110.6N60 I64 F236 K895N60-D62 VanDerWaalsContact OD1-CB 3.28Å; N60-D62 WeakPolarHBondContact OD1-CB 3.41Å; N60-D62 PolarHBondContact OD1-N 3.09Å; N60-D62 PolarHBondContact OD1-OD2 3.18Å; N60-D62 VanDerWaalsContact OD1-OD2 3.07Å; D62-I64 WeakPolarHBondContact O-CG2 3.46Å; D62-I64 PolarHBondContact O-N 2.89Å; D62-F236 WeakPolarHBondContact O-CB 3.32Å; D62-K895 WeakPolarHBondContact OD1-CE 3.39Å; D62-K895 IonicContact OD1-NZ 2.67Å; D62-K895 PolarHBondContact OD1-NZ 3.08Å; D62-K895 WeakPolarHBondContact OD2-CE 3.32Å; D62-K895 IonicContact OD2-NZ 3.5Å
63D96.5Very high93.9Very high43 Ų4348.7 Ų48.723%0.2325%0.25CS..  trans-57.4119-179.8173.731.8000111.9K65 T68 F236 K864D63-K65 WeakPolarHBondContact OD1-CB 3.39Å; D63-K65 WeakPolarHBondContact OD1-CE 3.34Å; D63-K65 WeakPolarHBondContact OD1-CG 3.45Å; D63-K65 PolarHBondContact OD1-N 3.21Å; D63-K65 IonicContact OD1-NZ 3.89Å; D63-K65 PolarHBondContact OD1-NZ 2.95Å; D63-K65 IonicContact OD2-NZ 2.74Å; D63-T68 VanDerWaalsContact OD2-CB 3.31Å; D63-T68 WeakPolarHBondContact OD2-CB 3.3Å; D63-T68 WeakPolarHBondContact OD2-CG2 3.3Å; D63-T68 PolarHBondContact OD2-OG1 2.95Å; D63-F236 WeakPolarHBondContact CA-O 3.17Å; D63-K864 HydrophobicContact CB-CD 4.49Å; D63-K864 WeakPolarHBondContact O-CD 3.22Å; D63-K864 WeakPolarHBondContact O-CE 3.46Å; D63-K864 PolarHBondContact O-NZ 2.76Å; D63-K864 VanDerWaalsContact OD2-CE 3.3Å; D63-K864 WeakPolarHBondContact OD2-CE 3.38Å; D63-K864 IonicContact OD2-NZ 3.42Å
64I97.3Very high95Very high30 Ų3044.8 Ų44.815%0.15422%0.223CC..  trans-100.6-7.9178.865.9175.4000113.7D62 H66 F236 L381 K864D62-I64 WeakPolarHBondContact O-CG2 3.46Å; D62-I64 PolarHBondContact O-N 2.89Å; I64-H66 PolarHBondContact O-CD2 3.43Å; I64-H66 PolarHBondContact O-N 3.33Å; I64-F236 HydrophobicContact CD1-CD2 3.37Å; I64-F236 HydrophobicContact CD1-CE2 3.7Å; I64-F236 HydrophobicContact CD1-CG 4.26Å; I64-F236 HydrophobicContact CG1-CB 4.39Å; I64-F236 HydrophobicContact CG1-CD2 3.73Å; I64-F236 HydrophobicContact CG1-CG 4.44Å; I64-F236 HydrophobicContact CG2-CB 4.43Å; I64-F236 PolarHBondContact N-O 3.11Å; I64-F236 VanDerWaalsContact N-O 3.09Å; I64-L381 HydrophobicContact CD1-CB 4.31Å; I64-L381 HydrophobicContact CD1-CD1 4.03Å; I64-L381 HydrophobicContact CD1-CD2 4.07Å; I64-L381 HydrophobicContact CD1-CG 4.36Å; I64-L381 HydrophobicContact CG1-CD1 4.35Å; I64-L381 HydrophobicContact CG1-CD2 4.13Å; I64-K864 VanDerWaalsContact C-NZ 3.32Å
65K98.3Very high96.2Very high11 Ų1144 Ų445%0.04822%0.216CC..  trans-55.4135.8-177.1-65.7-176.2-63.9-64.50111.9D63 T67 T68 M130 R237 K864D63-K65 WeakPolarHBondContact OD1-CB 3.39Å; D63-K65 WeakPolarHBondContact OD1-CE 3.34Å; D63-K65 WeakPolarHBondContact OD1-CG 3.45Å; D63-K65 PolarHBondContact OD1-N 3.21Å; D63-K65 IonicContact OD1-NZ 3.89Å; D63-K65 PolarHBondContact OD1-NZ 2.95Å; D63-K65 IonicContact OD2-NZ 2.74Å; K65-T67 VanDerWaalsContact C-N 3.27Å; K65-T68 WeakPolarHBondContact CE-OG1 3.27Å; K65-M130 HydrophobicContact CD-CB 3.97Å; K65-M130 HydrophobicContact CD-CG 4.46Å; K65-M130 VanDerWaalsContact CD-O 3.3Å; K65-M130 WeakPolarHBondContact CD-O 3.42Å; K65-R237 WeakPolarHBondContact CD-O 3.32Å; K65-R237 WeakPolarHBondContact CE-O 3.46Å; K65-R237 PolarHBondContact NZ-O 2.83Å; K65-K864 VanDerWaalsContact O-CE 3.24Å; K65-K864 WeakPolarHBondContact O-CE 3.3Å; K65-K864 PolarHBondContact O-NZ 2.57Å
66H98.5Very high96.9Very high116 Ų11647.1 Ų47.154%0.53722%0.22SC..SBendtrans-79.6-15.3174.7-65168.6000112.8I64 E384I64-H66 PolarHBondContact O-CD2 3.43Å; I64-H66 PolarHBondContact O-N 3.33Å; H66-E384 VanDerWaalsContact CE1-CD 3.46Å; H66-E384 IonicContact CE1-OE1 2.87Å; H66-E384 PolarHBondContact CE1-OE1 2.97Å; H66-E384 VanDerWaalsContact CE1-OE1 3.27Å; H66-E384 IonicContact CE1-OE2 3.58Å; H66-E384 PolarHBondContact CE1-OE2 3.09Å; H66-E384 VanDerWaalsContact CE1-OE2 3.3Å; H66-E384 IonicContact NE2-OE1 2.78Å; H66-E384 IonicContact NE2-OE2 3.68Å; H66-E384 PolarHBondContact NE2-OE2 3.3Å
67T98.6Very high97.3Very high41 Ų4140.4 Ų40.425%0.25219%0.192SC..SBendtrans-90.4-14.6-175.248.60000114K65 L69 N153 G156K65-T67 VanDerWaalsContact C-N 3.27Å; T67-L69 WeakPolarHBondContact O-CG 3.42Å; T67-L69 PolarHBondContact O-N 2.7Å; T67-N153 WeakPolarHBondContact CB-OD1 3.29Å; T67-N153 WeakPolarHBondContact CG2-OD1 3.4Å; T67-N153 PolarHBondContact O-ND2 2.79Å; T67-G156 WeakPolarHBondContact O-CA 3.27Å
68T98.8Very high97.5Very high15 Ų1539.3 Ų39.39%0.09219%0.186CC..  trans-57.8134.5178.6-61.10000111.6D63 K65 Q159 K864D63-T68 VanDerWaalsContact OD2-CB 3.31Å; D63-T68 WeakPolarHBondContact OD2-CB 3.3Å; D63-T68 WeakPolarHBondContact OD2-CG2 3.3Å; D63-T68 PolarHBondContact OD2-OG1 2.95Å; K65-T68 WeakPolarHBondContact CE-OG1 3.27Å; T68-Q159 PolarHBondContact OG1-NE2 2.5Å; T68-K864 HydrophobicContact CG2-CG 4.27Å
69L98.7Very high97.7Very high30 Ų3040.2 Ų40.216%0.15719%0.192CC..  trans-122.4140.2-176.7-63.8175.2000112T67 A74 L157T67-L69 WeakPolarHBondContact O-CG 3.42Å; T67-L69 PolarHBondContact O-N 2.7Å; L69-A74 HydrophobicContact CB-CB 4.17Å; L69-A74 HydrophobicContact CD1-CB 4.27Å; L69-L157 HydrophobicContact CD1-CD2 3.93Å; L69-L157 HydrophobicContact CD1-CG 4.08Å
70S98.3Very high97.9Very high11 Ų1142.1 Ų42.18%0.07720%0.198CC..  trans-73.2165.215833.80000109.6R72 G73 A74S70-R72 VanDerWaalsContact C-N 3.25Å; S70-R72 PolarHBondContact O-N 3.37Å; S70-G73 CarbonylContact O-C 3.56Å; S70-G73 WeakPolarHBondContact O-CA 3.31Å; S70-G73 PolarHBondContact O-N 3.33Å; S70-G73 PolarHBondContact OG-N 2.71Å; S70-A74 WeakPolarHBondContact O-CB 3.46Å; S70-A74 PolarHBondContact O-N 3.27Å
71E98.6Very high98.1Very high23 Ų2341.9 Ų41.911%0.10720%0.198CC..Hα-helixtrans-51.3-46168.8-176.4-178.6-123.500111.9G73 A74 L75 Y111 F160 S854E71-G73 VanDerWaalsContact C-N 3.28Å; E71-G73 PolarHBondContact O-N 2.73Å; E71-A74 PolarHBondContact O-N 2.81Å; E71-L75 HydrophobicContact CG-CD1 3.89Å; E71-L75 HydrophobicContact CG-CG 4.19Å; E71-L75 WeakPolarHBondContact O-CB 3.5Å; E71-L75 WeakPolarHBondContact O-CG 3.19Å; E71-L75 PolarHBondContact O-N 3.29Å; E71-Y111 WeakPolarHBondContact CG-OH 3.49Å; E71-Y111 VanDerWaalsContact OE1-CE2 3.29Å; E71-Y111 WeakPolarHBondContact OE1-CE2 3.27Å; E71-Y111 PolarHBondContact OE1-OH 2.79Å; E71-F160 VanDerWaalsContact CA-CE2 3.4Å; E71-F160 HydrophobicContact CB-CE2 3.76Å; E71-F160 HydrophobicContact CB-CZ 3.7Å; E71-F160 HydrophobicContact CG-CE2 4.39Å; E71-F160 HydrophobicContact CG-CZ 3.82Å; E71-S854 WeakPolarHBondContact OE1-CB 3.33Å; E71-S854 PolarHBondContact OE1-OG 3.03Å
72R98.3Very high98.3Very high77 Ų7744 Ų4429%0.29121%0.21SC..Hα-helixtrans-55.2-42.6174.1-173.8-145.168.488.42.7112.6S70 R76 P1000 I1002S70-R72 VanDerWaalsContact C-N 3.25Å; S70-R72 PolarHBondContact O-N 3.37Å; R72-R76 VanDerWaalsContact NH1-CD 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.39Å; R72-R76 PolarHBondContact O-N 3.02Å; R72-P1000 WeakPolarHBondContact CD-O 3.35Å; R72-I1002 HydrophobicContact CB-CD1 3.81Å; R72-I1002 HydrophobicContact CB-CG1 4.11Å; R72-I1002 HydrophobicContact CG-CD1 4.24Å; R72-I1002 HydrophobicContact CG-CG1 4.21Å
73G98.6Very high98.5Very high8 Ų842.2 Ų42.28%0.08220%0.2CC..Hα-helixtrans-68.8-47.5177.800000112S70 E71 R76 E77S70-G73 CarbonylContact O-C 3.56Å; S70-G73 WeakPolarHBondContact O-CA 3.31Å; S70-G73 PolarHBondContact O-N 3.33Å; S70-G73 PolarHBondContact OG-N 2.71Å; E71-G73 VanDerWaalsContact C-N 3.28Å; E71-G73 PolarHBondContact O-N 2.73Å; G73-R76 PolarHBondContact O-N 3.4Å; G73-E77 WeakPolarHBondContact O-CB 3.37Å; G73-E77 PolarHBondContact O-N 3.1Å
74A98.9Very high98.6Very high0 Ų041.6 Ų41.60%020%0.199CC..Hα-helixtrans-61.9-46-179.500000112.1L69 S70 E71 R76 E77 A78 I106 L157 F160L69-A74 HydrophobicContact CB-CB 4.17Å; L69-A74 HydrophobicContact CD1-CB 4.27Å; S70-A74 WeakPolarHBondContact O-CB 3.46Å; S70-A74 PolarHBondContact O-N 3.27Å; E71-A74 PolarHBondContact O-N 2.81Å; A74-R76 VanDerWaalsContact C-N 3.34Å; A74-R76 PolarHBondContact O-N 2.92Å; A74-E77 PolarHBondContact O-N 3Å; A74-A78 WeakPolarHBondContact O-CB 3.48Å; A74-A78 PolarHBondContact O-N 3.21Å; A74-I106 HydrophobicContact CB-CG2 4.3Å; A74-L157 HydrophobicContact CB-CD2 3.94Å; A74-L157 VanDerWaalsContact O-CD2 3.28Å; A74-L157 WeakPolarHBondContact O-CD2 3.43Å; A74-F160 HydrophobicContact CB-CB 4.09Å; A74-F160 HydrophobicContact CB-CD1 3.35Å; A74-F160 HydrophobicContact CB-CD2 4.07Å; A74-F160 HydrophobicContact CB-CE1 3.75Å; A74-F160 HydrophobicContact CB-CE2 4.42Å; A74-F160 HydrophobicContact CB-CG 3.53Å; A74-F160 HydrophobicContact CB-CZ 4.29Å
75L98.8Very high98.6Very high26 Ų2644.4 Ų44.414%0.13623%0.226CC..Hα-helixtrans-60.5-42.5176.6-71.6176.7000112.1E71 L79 I106 K109 Y111E71-L75 HydrophobicContact CG-CD1 3.89Å; E71-L75 HydrophobicContact CG-CG 4.19Å; E71-L75 WeakPolarHBondContact O-CB 3.5Å; E71-L75 WeakPolarHBondContact O-CG 3.19Å; E71-L75 PolarHBondContact O-N 3.29Å; L75-L79 WeakPolarHBondContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CD1 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 3.33Å; L75-I106 VanDerWaalsContact CD2-O 3.24Å; L75-I106 WeakPolarHBondContact CD2-O 3.44Å; L75-K109 HydrophobicContact CD1-CG 4.47Å; L75-K109 HydrophobicContact CD2-CG 3.93Å; L75-Y111 HydrophobicContact CD2-CE1 4.37Å
76R98.7Very high98.6Very high172 Ų17249.8 Ų49.865%0.64926%0.255SS*.Hα-helixtrans-65-45.4178-73.8-178.669.892.25.1112.2R72 G73 A74 L79 R80R72-R76 VanDerWaalsContact NH1-CD 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.39Å; R72-R76 PolarHBondContact O-N 3.02Å; G73-R76 PolarHBondContact O-N 3.4Å; A74-R76 VanDerWaalsContact C-N 3.34Å; A74-R76 PolarHBondContact O-N 2.92Å; R76-L79 PolarHBondContact O-N 3.27Å; R76-R80 PolarHBondContact O-N 3.37Å
77E98.9Very high98.6Very high33 Ų3344.4 Ų44.415%0.15423%0.231CC..Hα-helixtrans-70.3-37.9-178.5-170.670.2170.300111.7G73 A74 L79 R80 C81 I152 N153 L157G73-E77 WeakPolarHBondContact O-CB 3.37Å; G73-E77 PolarHBondContact O-N 3.1Å; A74-E77 PolarHBondContact O-N 3Å; E77-L79 PolarHBondContact O-N 2.95Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 2.64Å; E77-R80 IonicContact OE1-CZ 2.73Å; E77-R80 IonicContact OE1-NE 3.48Å; E77-R80 IonicContact OE1-NH2 2.85Å; E77-R80 PolarHBondContact OE1-NH2 3.16Å; E77-R80 IonicContact OE2-CZ 3.45Å; E77-R80 IonicContact OE2-NE 3.36Å; E77-R80 PolarHBondContact OE2-NE 3.32Å; E77-R80 IonicContact OE2-NH2 3.14Å; E77-R80 PolarHBondContact OE2-NH2 3.42Å; E77-C81 PolarHBondContact O-N 2.8Å; E77-C81 VanDerWaalsContact O-N 3.1Å; E77-I152 HydrophobicContact CG-CD1 4.46Å; E77-I152 HydrophobicContact CG-CG2 4.22Å; E77-I152 WeakPolarHBondContact OE1-CA 3.32Å; E77-N153 HydrophobicContact CG-CB 4.22Å; E77-N153 PolarHBondContact OE1-N 3.19Å; E77-L157 HydrophobicContact CB-CD1 4.42Å; E77-L157 HydrophobicContact CB-CD2 4.23Å; E77-L157 HydrophobicContact CG-CD1 4Å; E77-L157 HydrophobicContact CG-CG 4.3Å
78A98.9Very high98.7Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-66.8-35.4174.800000112.9A74 R80 K83 I103 I106 L157A74-A78 WeakPolarHBondContact O-CB 3.48Å; A74-A78 PolarHBondContact O-N 3.21Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-K83 PolarHBondContact O-NZ 3.25Å; A78-I103 HydrophobicContact CB-CG2 3.8Å; A78-I106 HydrophobicContact CB-CB 3.96Å; A78-I106 HydrophobicContact CB-CG2 3.7Å; A78-L157 HydrophobicContact CB-CD2 4.03Å
79L98.3Very high98.7Very high89 Ų8944 Ų4447%0.46623%0.229SC..Hα-helixtrans-69.3-31.3172.2-75.1169.2000112.3L75 R76 E77 P604L75-L79 WeakPolarHBondContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CD1 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 3.33Å; R76-L79 PolarHBondContact O-N 3.27Å; E77-L79 PolarHBondContact O-N 2.95Å; L79-P604 WeakPolarHBondContact O-CG 3.39Å
80R98.7Very high98.7Very high61 Ų6144.5 Ų44.523%0.2323%0.231CC..Hα-helixtrans-69.8-34.1175.6-168.8175.672.389.9-8.8112.5R76 E77 A78 L82 G150 P151 I152R76-R80 PolarHBondContact O-N 3.37Å; E77-R80 WeakPolarHBondContact O-CB 3.48Å; E77-R80 PolarHBondContact O-N 2.64Å; E77-R80 IonicContact OE1-CZ 2.73Å; E77-R80 IonicContact OE1-NE 3.48Å; E77-R80 IonicContact OE1-NH2 2.85Å; E77-R80 PolarHBondContact OE1-NH2 3.16Å; E77-R80 IonicContact OE2-CZ 3.45Å; E77-R80 IonicContact OE2-NE 3.36Å; E77-R80 PolarHBondContact OE2-NE 3.32Å; E77-R80 IonicContact OE2-NH2 3.14Å; E77-R80 PolarHBondContact OE2-NH2 3.42Å; A78-R80 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 2.85Å; R80-G150 PolarHBondContact NH1-O 3.01Å; R80-P151 PolarHBondContact NH2-O 2.69Å; R80-I152 HydrophobicContact CB-CD1 4.17Å; R80-I152 HydrophobicContact CG-CD1 4.31Å
81C98.9Very high98.7Very high14 Ų1449.7 Ų49.710%0.09525%0.252CS..SBendtrans-56.6129177.8178.80000112E77 K83 I103 I152 P604E77-C81 PolarHBondContact O-N 2.8Å; E77-C81 VanDerWaalsContact O-N 3.1Å; C81-K83 PolarHBondContact O-N 3.08Å; C81-K83 PolarHBondContact O-NZ 3.11Å; C81-K83 PolarHBondContact SG-N 2.9Å; C81-K83 VanDerWaalsContact SG-N 3.42Å; C81-I103 HydrophobicContact CB-CG2 3.55Å; C81-I152 HydrophobicContact CB-CD1 3.8Å; C81-I152 HydrophobicContact CB-CG1 4.04Å; C81-P604 WeakPolarHBondContact O-CG 3.31Å
82L98.8Very high98.7Very high73 Ų7351 Ų5138%0.38226%0.264SS..  trans-71.1-13.9-179.1-57.6-178.1000114.3R80 C84 L144 P604R80-L82 PolarHBondContact O-N 2.85Å; L82-C84 VanDerWaalsContact C-N 3.33Å; L82-C84 PolarHBondContact O-N 3.47Å; L82-L144 HydrophobicContact CD1-CD2 3.81Å; L82-L144 HydrophobicContact CD1-CG 3.85Å; L82-L144 HydrophobicContact CD2-CD2 4.13Å; L82-L144 HydrophobicContact CG-CD1 3.95Å; L82-L144 HydrophobicContact CG-CD2 3.88Å; L82-L144 HydrophobicContact CG-CG 3.79Å; L82-P604 HydrophobicContact CD2-CG 4.27Å
83K98.7Very high98.7Very high14 Ų1447.9 Ų47.96%0.06125%0.254CS..  trans55.148.7179.6-59.4165-176.674.10111.9A78 C81 K100 T104 S107 Q824A78-K83 PolarHBondContact O-NZ 3.25Å; C81-K83 PolarHBondContact O-N 3.08Å; C81-K83 PolarHBondContact O-NZ 3.11Å; C81-K83 PolarHBondContact SG-N 2.9Å; C81-K83 VanDerWaalsContact SG-N 3.42Å; K83-K100 HydrophobicContact CB-CG 4.14Å; K83-T104 HydrophobicContact CD-CG2 4.29Å; K83-T104 VanDerWaalsContact CD-OG1 3.26Å; K83-T104 WeakPolarHBondContact CD-OG1 3.43Å; K83-T104 WeakPolarHBondContact CG-OG1 3.44Å; K83-S107 VanDerWaalsContact CE-OG 3.31Å; K83-S107 WeakPolarHBondContact CE-OG 3.37Å; K83-Q824 PolarHBondContact O-NE2 3.16Å
84C98.8Very high98.7Very high30 Ų3049.2 Ų49.220%0.20326%0.261CS..  trans-55.8140.2-171.5-52.60000112.6L82 A87 K100 N143L82-C84 VanDerWaalsContact C-N 3.33Å; L82-C84 PolarHBondContact O-N 3.47Å; C84-A87 HydrophobicContact CB-CB 4.2Å; C84-K100 WeakPolarHBondContact O-CD 3.36Å; C84-N143 PolarHBondContact SG-ND2 2.86Å
85A98.6Very high98.7Very high89 Ų8949.2 Ų49.274%0.73626%0.261SS*.THydrogen-bonded Turntrans-66.5148.8162.700000110.3A87A85-A87 PolarHBondContact O-N 2.64Å
86D98.3Very high98.7Very high123 Ų12351.9 Ų51.966%0.65828%0.275SS*.THydrogen-bonded Turntrans45.648179.8-16542.7000112.7K91D86-K91 WeakPolarHBondContact O-CE 3.49Å; D86-K91 WeakPolarHBondContact OD1-CE 3.25Å; D86-K91 IonicContact OD1-NZ 2.76Å; D86-K91 PolarHBondContact OD1-NZ 3.45Å; D86-K91 WeakPolarHBondContact OD2-CE 3.34Å; D86-K91 IonicContact OD2-NZ 3.23Å; D86-K91 PolarHBondContact OD2-NZ 3.38Å
87A98.6Very high98.7Very high4 Ų443.8 Ų43.83%0.03325%0.245CC..  trans-59.7124.6-158.800000112.1C84 A85 C89 Q90 K91C84-A87 HydrophobicContact CB-CB 4.2Å; A85-A87 PolarHBondContact O-N 2.64Å; A87-C89 PolarHBondContact O-N 2.67Å; A87-Q90 HydrophobicContact CB-CB 4.35Å; A87-Q90 WeakPolarHBondContact O-CB 3.33Å; A87-Q90 PolarHBondContact O-N 3.26Å; A87-K91 PolarHBondContact O-N 3.09Å
88P98.8Very high98.7Very high34 Ų3444.6 Ų44.622%0.22125%0.25CS..Hα-helixtrans-63.2-30.8179.423.4-33.7000112.3Q90 K91 S92 G141 N143P88-Q90 VanDerWaalsContact C-N 3.26Å; P88-Q90 PolarHBondContact O-N 2.87Å; P88-K91 PolarHBondContact O-N 3.13Å; P88-S92 PolarHBondContact O-N 3.37Å; P88-S92 PolarHBondContact O-OG 2.97Å; P88-G141 VanDerWaalsContact CB-O 3.24Å; P88-G141 WeakPolarHBondContact CB-O 3.28Å; P88-G141 WeakPolarHBondContact CG-O 3.4Å; P88-N143 WeakPolarHBondContact CG-OD1 3.14Å
89C98.8Very high98.7Very high12 Ų1244.8 Ų44.88%0.08125%0.251CS..Hα-helixtrans-61.3-33.2174.255.90000113.3A87 C93 I99 C138 I154A87-C89 PolarHBondContact O-N 2.67Å; C89-C93 PolarHBondContact O-N 3.38Å; C89-I99 VanDerWaalsContact C-CD1 3.48Å; C89-I99 HydrophobicContact CB-CD1 3.86Å; C89-I99 VanDerWaalsContact O-CD1 3.27Å; C89-I99 WeakPolarHBondContact O-CD1 3.19Å; C89-C138 WeakPolarHBondContact CA-O 3.06Å; C89-C138 HydrophobicContact CB-CB 4.29Å; C89-C138 WeakPolarHBondContact CB-O 3.39Å; C89-C138 WeakPolarHBondContact O-CA 3.44Å; C89-C138 VanDerWaalsContact O-CB 3.25Å; C89-C138 WeakPolarHBondContact O-CB 3.48Å; C89-I154 HydrophobicContact CB-CD1 3.74Å
90Q98.8Very high98.7Very high41 Ų4141.7 Ų41.719%0.19223%0.234CC..Hα-helixtrans-70.7-43.6174.8169.5170.421.300110.5A87 P88 S92 C93 N96 L97A87-Q90 HydrophobicContact CB-CB 4.35Å; A87-Q90 WeakPolarHBondContact O-CB 3.33Å; A87-Q90 PolarHBondContact O-N 3.26Å; P88-Q90 VanDerWaalsContact C-N 3.26Å; P88-Q90 PolarHBondContact O-N 2.87Å; Q90-S92 PolarHBondContact O-N 3.28Å; Q90-C93 VanDerWaalsContact O-CB 3.28Å; Q90-C93 WeakPolarHBondContact O-CB 3.46Å; Q90-C93 PolarHBondContact O-N 3.11Å; Q90-N96 WeakPolarHBondContact CG-OD1 3.43Å; Q90-N96 PolarHBondContact NE2-ND2 3.15Å; Q90-N96 PolarHBondContact NE2-O 3.46Å; Q90-L97 WeakPolarHBondContact CB-O 3.17Å; Q90-L97 WeakPolarHBondContact CG-O 3.22Å
91K98.7Very high98.7Very high121 Ų12140.1 Ų40.153%0.52623%0.232SC..Hα-helixtrans-61.9-32.9176.9-59.3177.6-171.9-71.70112.7D86 A87 P88 C93D86-K91 WeakPolarHBondContact O-CE 3.49Å; D86-K91 WeakPolarHBondContact OD1-CE 3.25Å; D86-K91 IonicContact OD1-NZ 2.76Å; D86-K91 PolarHBondContact OD1-NZ 3.45Å; D86-K91 WeakPolarHBondContact OD2-CE 3.34Å; D86-K91 IonicContact OD2-NZ 3.23Å; D86-K91 PolarHBondContact OD2-NZ 3.38Å; A87-K91 PolarHBondContact O-N 3.09Å; P88-K91 PolarHBondContact O-N 3.13Å; K91-C93 VanDerWaalsContact C-N 3.3Å
92S98.6Very high98.7Very high49 Ų4939.4 Ų39.434%0.34323%0.228SC..THydrogen-bonded Turntrans-850.8175.4-57.30000113.5P88 Q90 L137 C138P88-S92 PolarHBondContact O-N 3.37Å; P88-S92 PolarHBondContact O-OG 2.97Å; Q90-S92 PolarHBondContact O-N 3.28Å; S92-L137 WeakPolarHBondContact CB-O 3.36Å; S92-L137 CarbonylContact O-C 3.53Å; S92-C138 PolarHBondContact O-N 3.46Å
93C98.7Very high98.7Very high13 Ų1336 Ų369%0.08821%0.21CC..SBendtrans-92.7122.3174.2-178.20000109.6C89 Q90 K91 T95 N96 I99 C138C89-C93 PolarHBondContact O-N 3.38Å; Q90-C93 VanDerWaalsContact O-CB 3.28Å; Q90-C93 WeakPolarHBondContact O-CB 3.46Å; Q90-C93 PolarHBondContact O-N 3.11Å; K91-C93 VanDerWaalsContact C-N 3.3Å; C93-T95 VanDerWaalsContact C-N 3.27Å; C93-T95 PolarHBondContact O-N 2.99Å; C93-N96 WeakPolarHBondContact O-CA 3.46Å; C93-N96 PolarHBondContact O-N 2.91Å; C93-I99 HydrophobicContact CB-CD1 4.38Å; C93-C138 HydrophobicContact CB-CB 4.42Å
94P98.6Very high98.7Very high35 Ų3535.8 Ų35.823%0.22721%0.21CC..THydrogen-bonded Turntrans-59.2-33-177.5-29.938.7000114.5N96 L137 V492 E493 N496P94-N96 VanDerWaalsContact C-N 3.31Å; P94-L137 HydrophobicContact CG-CD2 4.01Å; P94-V492 HydrophobicContact CB-CG1 4.35Å; P94-V492 HydrophobicContact CB-CG2 4.26Å; P94-V492 HydrophobicContact CG-CG1 3.88Å; P94-V492 HydrophobicContact CG-CG2 4.48Å; P94-E493 HydrophobicContact CB-CG 3.94Å; P94-E493 HydrophobicContact CG-CG 3.84Å; P94-N496 HydrophobicContact CB-CB 4.49Å; P94-N496 PolarHBondContact O-OD1 3.23Å; P94-N496 VanDerWaalsContact O-OD1 3.08Å
95T98.6Very high98.7Very high1 Ų134.7 Ų34.71%0.00620%0.203CC..THydrogen-bonded Turntrans-87.82.3175.5510000113.7C93 L97 N122 V492 V495 N496 K499C93-T95 VanDerWaalsContact C-N 3.27Å; C93-T95 PolarHBondContact O-N 2.99Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-L97 PolarHBondContact O-N 2.91Å; T95-N122 HydrophobicContact CG2-CB 4.24Å; T95-V492 HydrophobicContact CG2-CG2 3.72Å; T95-V495 HydrophobicContact CG2-CB 4.31Å; T95-V495 HydrophobicContact CG2-CG1 3.84Å; T95-N496 HydrophobicContact CG2-CB 4.06Å; T95-K499 PolarHBondContact O-NZ 3.12Å; T95-K499 VanDerWaalsContact O-NZ 3.1Å
96N98.6Very high98.7Very high81 Ų8130.5 Ų30.543%0.43317%0.168SC..  trans5637.2-178.7-163.661.4000114.2Q90 C93 P94 D98Q90-N96 WeakPolarHBondContact CG-OD1 3.43Å; Q90-N96 PolarHBondContact NE2-ND2 3.15Å; Q90-N96 PolarHBondContact NE2-O 3.46Å; C93-N96 WeakPolarHBondContact O-CA 3.46Å; C93-N96 PolarHBondContact O-N 2.91Å; P94-N96 VanDerWaalsContact C-N 3.31Å; N96-D98 PolarHBondContact O-N 3.01Å
97L98.6Very high98.8Very high2 Ų225.4 Ų25.41%0.0114%0.142CC..  trans-51.9132.7178.6-69.8-174000111Q90 T95 I99 F102 I118 D121 N122 Q158Q90-L97 WeakPolarHBondContact CB-O 3.17Å; Q90-L97 WeakPolarHBondContact CG-O 3.22Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-L97 PolarHBondContact O-N 2.91Å; L97-I99 HydrophobicContact CB-CG1 4.2Å; L97-I99 PolarHBondContact O-N 3.27Å; L97-F102 HydrophobicContact CD1-CE1 4.42Å; L97-I118 WeakPolarHBondContact CD2-O 3.46Å; L97-D121 HydrophobicContact CD2-CB 3.52Å; L97-N122 HydrophobicContact CD2-CB 3.67Å; L97-N122 HydrophobicContact CG-CB 4.5Å; L97-Q158 VanDerWaalsContact CD1-OE1 3.28Å
98D98.6Very high98.8Very high50 Ų5026.3 Ų26.327%0.26715%0.146SC..  trans-72.481169.6-172.5-12000111.2N96 K100 S101 F102N96-D98 PolarHBondContact O-N 3.01Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.33Å; D98-K100 WeakPolarHBondContact OD1-CB 3.42Å; D98-K100 PolarHBondContact OD1-N 3.37Å; D98-S101 PolarHBondContact O-N 2.96Å; D98-S101 WeakPolarHBondContact OD1-CB 3.49Å; D98-S101 PolarHBondContact OD1-N 3.35Å; D98-S101 PolarHBondContact OD1-OG 3.38Å; D98-S101 WeakPolarHBondContact OD2-CB 3.05Å; D98-S101 PolarHBondContact OD2-OG 3.1Å; D98-F102 VanDerWaalsContact O-CD1 3.31Å; D98-F102 WeakPolarHBondContact O-CD1 3.31Å; D98-F102 PolarHBondContact O-N 2.86Å; D98-F102 VanDerWaalsContact O-N 3.11Å
99I98.9Very high98.8Very high4 Ų427.1 Ų27.12%0.02115%0.146CC..Hα-helixtrans-63.8-33.6-178.7-67.1160.2000111.9C89 C93 L97 F102 I103 C138 I154C89-I99 VanDerWaalsContact C-CD1 3.48Å; C89-I99 HydrophobicContact CB-CD1 3.86Å; C89-I99 VanDerWaalsContact O-CD1 3.27Å; C89-I99 WeakPolarHBondContact O-CD1 3.19Å; C93-I99 HydrophobicContact CB-CD1 4.38Å; L97-I99 HydrophobicContact CB-CG1 4.2Å; L97-I99 PolarHBondContact O-N 3.27Å; I99-F102 VanDerWaalsContact CA-CE1 3.45Å; I99-F102 HydrophobicContact CB-CD1 4.49Å; I99-F102 HydrophobicContact CB-CE1 3.92Å; I99-F102 HydrophobicContact CB-CZ 4.43Å; I99-F102 HydrophobicContact CG1-CD1 4.43Å; I99-F102 HydrophobicContact CG1-CE1 3.55Å; I99-F102 HydrophobicContact CG1-CZ 4.14Å; I99-F102 HydrophobicContact CG2-CE1 4.21Å; I99-F102 HydrophobicContact CG2-CZ 4.22Å; I99-I103 HydrophobicContact CG2-CD1 3.48Å; I99-I103 VanDerWaalsContact CG2-CD1 3.48Å; I99-I103 HydrophobicContact CG2-CG1 4.15Å; I99-I103 VanDerWaalsContact O-CB 3.3Å; I99-I103 WeakPolarHBondContact O-CB 3.42Å; I99-I103 VanDerWaalsContact O-CG1 3.25Å; I99-I103 WeakPolarHBondContact O-CG1 3.45Å; I99-I103 PolarHBondContact O-N 3.07Å; I99-C138 HydrophobicContact CD1-CB 3.73Å; I99-I154 HydrophobicContact CD1-CD1 4.37Å; I99-I154 HydrophobicContact CD1-CG2 4.08Å; I99-I154 HydrophobicContact CG1-CG2 4.1Å; I99-I154 HydrophobicContact CG2-CD1 4.25Å; I99-I154 HydrophobicContact CG2-CG1 4.4Å; I99-I154 HydrophobicContact CG2-CG2 3.97Å
100K98.9Very high98.8Very high24 Ų2426.6 Ų26.610%0.10414%0.143CC..Hα-helixtrans-59.4-52.6175.2169.9-172.3178.3-81.70109.5K83 C84 D98 T104 Q824 D825 T827K83-K100 HydrophobicContact CB-CG 4.14Å; C84-K100 WeakPolarHBondContact O-CD 3.36Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.33Å; D98-K100 WeakPolarHBondContact OD1-CB 3.42Å; D98-K100 PolarHBondContact OD1-N 3.37Å; K100-T104 WeakPolarHBondContact O-CB 3.39Å; K100-T104 PolarHBondContact O-N 3.21Å; K100-T104 PolarHBondContact O-OG1 2.88Å; K100-Q824 VanDerWaalsContact CE-NE2 3.3Å; K100-D825 WeakPolarHBondContact CE-OD2 3.45Å; K100-D825 VanDerWaalsContact NZ-CG 3.31Å; K100-D825 IonicContact NZ-OD1 2.87Å; K100-D825 PolarHBondContact NZ-OD1 3.29Å; K100-D825 VanDerWaalsContact NZ-OD1 3.15Å; K100-D825 IonicContact NZ-OD2 2.73Å; K100-D825 PolarHBondContact NZ-OD2 2.73Å; K100-T827 PolarHBondContact NZ-OG1 2.8Å; K100-T827 VanDerWaalsContact NZ-OG1 3.13Å
101S98.8Very high98.8Very high28 Ų2824.6 Ų24.620%0.19613%0.134CC..Hα-helixtrans-71-44.6-172.1-64.20000112.5D98 I103 T104 S105D98-S101 PolarHBondContact O-N 2.96Å; D98-S101 WeakPolarHBondContact OD1-CB 3.49Å; D98-S101 PolarHBondContact OD1-N 3.35Å; D98-S101 PolarHBondContact OD1-OG 3.38Å; D98-S101 WeakPolarHBondContact OD2-CB 3.05Å; D98-S101 PolarHBondContact OD2-OG 3.1Å; S101-I103 PolarHBondContact O-N 3.43Å; S101-T104 WeakPolarHBondContact O-CB 3.36Å; S101-T104 PolarHBondContact O-N 2.89Å; S101-S105 PolarHBondContact O-N 3.35Å; S101-S105 PolarHBondContact O-OG 3.32Å
102F98.9Very high98.8Very high0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-68.6-37.7-179.784.3-115000112.1L97 D98 I99 T104 S105 I106 A114 A117 I118 I154 L157 Q158L97-F102 HydrophobicContact CD1-CE1 4.42Å; D98-F102 VanDerWaalsContact O-CD1 3.31Å; D98-F102 WeakPolarHBondContact O-CD1 3.31Å; D98-F102 PolarHBondContact O-N 2.86Å; D98-F102 VanDerWaalsContact O-N 3.11Å; I99-F102 VanDerWaalsContact CA-CE1 3.45Å; I99-F102 HydrophobicContact CB-CD1 4.49Å; I99-F102 HydrophobicContact CB-CE1 3.92Å; I99-F102 HydrophobicContact CB-CZ 4.43Å; I99-F102 HydrophobicContact CG1-CD1 4.43Å; I99-F102 HydrophobicContact CG1-CE1 3.55Å; I99-F102 HydrophobicContact CG1-CZ 4.14Å; I99-F102 HydrophobicContact CG2-CE1 4.21Å; I99-F102 HydrophobicContact CG2-CZ 4.22Å; F102-T104 VanDerWaalsContact C-N 3.33Å; F102-S105 WeakPolarHBondContact O-CB 3.43Å; F102-S105 PolarHBondContact O-N 3.14Å; F102-I106 HydrophobicContact CD2-CD1 3.97Å; F102-I106 HydrophobicContact CE2-CD1 4.28Å; F102-I106 WeakPolarHBondContact O-CG1 3.43Å; F102-I106 PolarHBondContact O-N 2.94Å; F102-A114 HydrophobicContact CB-CB 4.18Å; F102-A114 WeakPolarHBondContact O-CB 3.24Å; F102-A117 HydrophobicContact CB-CB 4.01Å; F102-I118 HydrophobicContact CB-CD1 4.28Å; F102-I118 HydrophobicContact CB-CG1 3.99Å; F102-I118 HydrophobicContact CD1-CD1 4.39Å; F102-I118 HydrophobicContact CD1-CG1 3.73Å; F102-I118 HydrophobicContact CD2-CD1 3.89Å; F102-I118 HydrophobicContact CD2-CG1 4.13Å; F102-I118 HydrophobicContact CE1-CG1 4.16Å; F102-I118 HydrophobicContact CE2-CD1 4.29Å; F102-I118 HydrophobicContact CG-CD1 3.98Å; F102-I118 HydrophobicContact CG-CG1 3.73Å; F102-I154 HydrophobicContact CZ-CG2 3.93Å; F102-L157 HydrophobicContact CE2-CB 4.32Å; F102-Q158 HydrophobicContact CE2-CB 4.29Å; F102-Q158 HydrophobicContact CZ-CB 4.15Å
103I98.9Very high98.8Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-68.7-35.9176.5-65-178000110.9A78 C81 I99 S101 S105 I106 S107 I152 L157A78-I103 HydrophobicContact CB-CG2 3.8Å; C81-I103 HydrophobicContact CB-CG2 3.55Å; I99-I103 HydrophobicContact CG2-CD1 3.48Å; I99-I103 VanDerWaalsContact CG2-CD1 3.48Å; I99-I103 HydrophobicContact CG2-CG1 4.15Å; I99-I103 VanDerWaalsContact O-CB 3.3Å; I99-I103 WeakPolarHBondContact O-CB 3.42Å; I99-I103 VanDerWaalsContact O-CG1 3.25Å; I99-I103 WeakPolarHBondContact O-CG1 3.45Å; I99-I103 PolarHBondContact O-N 3.07Å; S101-I103 PolarHBondContact O-N 3.43Å; I103-S105 VanDerWaalsContact C-N 3.29Å; I103-S105 PolarHBondContact O-N 2.93Å; I103-I106 PolarHBondContact O-N 2.89Å; I103-S107 PolarHBondContact O-N 3.34Å; I103-I152 HydrophobicContact CD1-CG2 4.1Å; I103-L157 HydrophobicContact CD1-CD1 3.71Å; I103-L157 HydrophobicContact CG1-CD1 3.93Å; I103-L157 HydrophobicContact CG2-CD1 4.06Å
104T98.9Very high98.8Very high10 Ų1016.2 Ų16.26%0.0619%0.091CC..Hα-helixtrans-57.4-46.5171.3-59.10000110.9K83 K100 S101 F102 I106 S107 N108 L828K83-T104 HydrophobicContact CD-CG2 4.29Å; K83-T104 VanDerWaalsContact CD-OG1 3.26Å; K83-T104 WeakPolarHBondContact CD-OG1 3.43Å; K83-T104 WeakPolarHBondContact CG-OG1 3.44Å; K100-T104 WeakPolarHBondContact O-CB 3.39Å; K100-T104 PolarHBondContact O-N 3.21Å; K100-T104 PolarHBondContact O-OG1 2.88Å; S101-T104 WeakPolarHBondContact O-CB 3.36Å; S101-T104 PolarHBondContact O-N 2.89Å; F102-T104 VanDerWaalsContact C-N 3.33Å; T104-I106 PolarHBondContact O-N 3.26Å; T104-S107 PolarHBondContact O-N 2.77Å; T104-S107 VanDerWaalsContact O-N 3.13Å; T104-S107 PolarHBondContact O-OG 3.23Å; T104-N108 PolarHBondContact O-N 3.33Å; T104-N108 VanDerWaalsContact O-N 3.1Å; T104-L828 HydrophobicContact CG2-CD2 3.54Å
105S98.9Very high98.8Very high8 Ų814.5 Ų14.56%0.0568%0.08CC..Hα-helixtrans-61.7-42.1178.9-52.10000111.9S101 F102 I103 S107 N108 K109 N110 D831S101-S105 PolarHBondContact O-N 3.35Å; S101-S105 PolarHBondContact O-OG 3.32Å; F102-S105 WeakPolarHBondContact O-CB 3.43Å; F102-S105 PolarHBondContact O-N 3.14Å; I103-S105 VanDerWaalsContact C-N 3.29Å; I103-S105 PolarHBondContact O-N 2.93Å; S105-S107 PolarHBondContact O-N 2.94Å; S105-N108 CarbonylContact O-C 3.38Å; S105-N108 PolarHBondContact O-N 3.45Å; S105-N108 VanDerWaalsContact O-N 3.16Å; S105-K109 PolarHBondContact O-N 3.42Å; S105-N110 CarbonylContact C-O 3.53Å; S105-N110 WeakPolarHBondContact CB-O 3.45Å; S105-N110 WeakPolarHBondContact O-CA 3.39Å; S105-N110 PolarHBondContact O-N 2.82Å; S105-D831 VanDerWaalsContact CA-OD1 3.23Å; S105-D831 WeakPolarHBondContact CA-OD1 3.2Å; S105-D831 VanDerWaalsContact CB-OD1 3.28Å; S105-D831 WeakPolarHBondContact CB-OD1 3.48Å; S105-D831 PolarHBondContact OG-OD1 3.4Å
106I98.9Very high98.8Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-59.2-47.1173.1-62.8167.7000111A74 L75 A78 F102 I103 T104 N108 K109 Y111 A114 L157 F160 A161A74-I106 HydrophobicContact CB-CG2 4.3Å; L75-I106 VanDerWaalsContact CD2-O 3.24Å; L75-I106 WeakPolarHBondContact CD2-O 3.44Å; A78-I106 HydrophobicContact CB-CB 3.96Å; A78-I106 HydrophobicContact CB-CG2 3.7Å; F102-I106 HydrophobicContact CD2-CD1 3.97Å; F102-I106 HydrophobicContact CE2-CD1 4.28Å; F102-I106 WeakPolarHBondContact O-CG1 3.43Å; F102-I106 PolarHBondContact O-N 2.94Å; I103-I106 PolarHBondContact O-N 2.89Å; T104-I106 PolarHBondContact O-N 3.26Å; I106-N108 PolarHBondContact O-N 2.86Å; I106-N108 VanDerWaalsContact O-N 3.17Å; I106-K109 PolarHBondContact O-N 3.08Å; I106-Y111 HydrophobicContact CG2-CE1 4.23Å; I106-A114 HydrophobicContact CD1-CB 4.36Å; I106-A114 HydrophobicContact CG1-CB 3.63Å; I106-L157 HydrophobicContact CD1-CB 3.82Å; I106-L157 HydrophobicContact CD1-CD2 4.13Å; I106-L157 VanDerWaalsContact CD1-O 3.27Å; I106-L157 WeakPolarHBondContact CD1-O 3.49Å; I106-L157 HydrophobicContact CG2-CD2 4.21Å; I106-F160 HydrophobicContact CG2-CD1 4.32Å; I106-F160 HydrophobicContact CG2-CE1 4.39Å; I106-A161 HydrophobicContact CD1-CB 3.95Å; I106-A161 HydrophobicContact CG1-CB 4.01Å
107S98.8Very high98.8Very high17 Ų1713 Ų1312%0.1197%0.073CC..Hα-helixtrans-62.7-23.3-179.865.70000113.5K83 I103 T104 S105K83-S107 VanDerWaalsContact CE-OG 3.31Å; K83-S107 WeakPolarHBondContact CE-OG 3.37Å; I103-S107 PolarHBondContact O-N 3.34Å; T104-S107 PolarHBondContact O-N 2.77Å; T104-S107 VanDerWaalsContact O-N 3.13Å; T104-S107 PolarHBondContact O-OG 3.23Å; S105-S107 PolarHBondContact O-N 2.94Å
108N98.8Very high98.9Very high23 Ų2312.9 Ų12.912%0.1237%0.072CC..THydrogen-bonded Turntrans-95.310178.1-69.7-8.3000113.3T104 S105 I106 N110 D799 S800 D831T104-N108 PolarHBondContact O-N 3.33Å; T104-N108 VanDerWaalsContact O-N 3.1Å; S105-N108 CarbonylContact O-C 3.38Å; S105-N108 PolarHBondContact O-N 3.45Å; S105-N108 VanDerWaalsContact O-N 3.16Å; I106-N108 PolarHBondContact O-N 2.86Å; I106-N108 VanDerWaalsContact O-N 3.17Å; N108-N110 PolarHBondContact O-N 3.21Å; N108-D799 PolarHBondContact ND2-O 3.18Å; N108-S800 WeakPolarHBondContact O-CB 3.43Å; N108-D831 WeakPolarHBondContact CB-OD2 3.48Å; N108-D831 PolarHBondContact ND2-OD2 3.35Å
109K98.9Very high98.9Very high50 Ų5010.5 Ų10.522%0.2176%0.06CC..THydrogen-bonded Turntrans58.723.3-174.2-66.9-172.4149.2-147.20114.6L75 S105 I106 Y111 E802 S854L75-K109 HydrophobicContact CD1-CG 4.47Å; L75-K109 HydrophobicContact CD2-CG 3.93Å; S105-K109 PolarHBondContact O-N 3.42Å; I106-K109 PolarHBondContact O-N 3.08Å; K109-Y111 PolarHBondContact O-N 2.78Å; K109-E802 VanDerWaalsContact CD-OE1 3.23Å; K109-E802 WeakPolarHBondContact CD-OE1 3.41Å; K109-E802 IonicContact NZ-OE1 2.97Å; K109-S854 PolarHBondContact NZ-OG 3.28Å
110N98.9Very high98.9Very high1 Ų110.7 Ų10.71%0.0056%0.061CC..  trans-96.276.5172.3-177.319.9000110.5S105 N108 G113 A114 D831 G835 Q853S105-N110 CarbonylContact C-O 3.53Å; S105-N110 WeakPolarHBondContact CB-O 3.45Å; S105-N110 WeakPolarHBondContact O-CA 3.39Å; S105-N110 PolarHBondContact O-N 2.82Å; N108-N110 PolarHBondContact O-N 3.21Å; N110-G113 PolarHBondContact O-N 3.02Å; N110-G113 PolarHBondContact OD1-N 3.46Å; N110-A114 PolarHBondContact O-N 2.86Å; N110-A114 VanDerWaalsContact O-N 3.11Å; N110-D831 WeakPolarHBondContact CB-OD1 3.42Å; N110-D831 PolarHBondContact ND2-O 3.41Å; N110-D831 PolarHBondContact ND2-OD1 3.36Å; N110-G835 VanDerWaalsContact CG-CA 3.41Å; N110-G835 PolarHBondContact ND2-N 3.26Å; N110-G835 VanDerWaalsContact OD1-CA 3.26Å; N110-G835 WeakPolarHBondContact OD1-CA 3.47Å; N110-Q853 PolarHBondContact OD1-NE2 2.82Å
111Y98.9Very high98.9Very high0 Ų011.5 Ų11.50%07%0.067CC..Hα-helixtrans-70.5-33.3-177.6-50.8-41.8000112.4E71 L75 I106 K109 A114 A115 F160 V164 Q853E71-Y111 WeakPolarHBondContact CG-OH 3.49Å; E71-Y111 VanDerWaalsContact OE1-CE2 3.29Å; E71-Y111 WeakPolarHBondContact OE1-CE2 3.27Å; E71-Y111 PolarHBondContact OE1-OH 2.79Å; L75-Y111 HydrophobicContact CD2-CE1 4.37Å; I106-Y111 HydrophobicContact CG2-CE1 4.23Å; K109-Y111 PolarHBondContact O-N 2.78Å; Y111-A114 PolarHBondContact O-N 2.81Å; Y111-A115 WeakPolarHBondContact O-CB 3.19Å; Y111-A115 PolarHBondContact O-N 3.1Å; Y111-F160 AromaticContact CD1-CE1 3.66Å; Y111-F160 HydrophobicContact CD1-CE1 3.66Å; Y111-F160 HydrophobicContact CD1-CZ 4.4Å; Y111-F160 AromaticContact CE1-CE1 3.5Å; Y111-F160 HydrophobicContact CE1-CE1 3.5Å; Y111-F160 HydrophobicContact CE1-CZ 4.09Å; Y111-F160 HydrophobicContact CE2-CE1 4.43Å; Y111-F160 HydrophobicContact CE2-CZ 4.27Å; Y111-F160 HydrophobicContact CG-CE1 4.23Å; Y111-F160 AromaticContact CZ-CE1 3.9Å; Y111-F160 AromaticContact CZ-CZ 3.99Å; Y111-V164 HydrophobicContact CD2-CG1 3.87Å; Y111-V164 HydrophobicContact CD2-CG2 4.43Å; Y111-V164 HydrophobicContact CG-CG1 4.19Å; Y111-Q853 HydrophobicContact CD2-CB 3.94Å; Y111-Q853 WeakPolarHBondContact CD2-O 3.36Å
112Y98.8Very high98.9Very high0 Ų010.2 Ų10.20%06%0.058CC..Hα-helixtrans-62.2-49.5171.2172.4-108.4000111.8A114 A115 R116 F165 S528 I530 D531 V834 A838Y112-A114 VanDerWaalsContact C-N 3.27Å; Y112-A114 PolarHBondContact O-N 2.81Å; Y112-A115 PolarHBondContact O-N 2.78Å; Y112-R116 HydrophobicContact CE2-CB 4.48Å; Y112-R116 WeakPolarHBondContact O-CB 3.26Å; Y112-R116 PolarHBondContact O-N 3.18Å; Y112-F165 AromaticContact CD2-CD2 3.84Å; Y112-F165 HydrophobicContact CD2-CD2 3.84Å; Y112-F165 AromaticContact CD2-CE2 3.94Å; Y112-F165 HydrophobicContact CD2-CE2 3.94Å; Y112-F165 HydrophobicContact CE2-CD2 4.31Å; Y112-F165 AromaticContact CE2-CE2 3.95Å; Y112-F165 HydrophobicContact CE2-CE2 3.95Å; Y112-S528 VanDerWaalsContact CE2-OG 3.32Å; Y112-S528 WeakPolarHBondContact CE2-OG 3.4Å; Y112-S528 VanDerWaalsContact CZ-OG 3.28Å; Y112-S528 PolarHBondContact OH-OG 3.34Å; Y112-I530 HydrophobicContact CD1-CB 4.28Å; Y112-I530 HydrophobicContact CD1-CD1 3.94Å; Y112-I530 HydrophobicContact CD1-CG2 3.69Å; Y112-I530 HydrophobicContact CD2-CD1 3.44Å; Y112-I530 VanDerWaalsContact CD2-CD1 3.44Å; Y112-I530 HydrophobicContact CE1-CB 3.66Å; Y112-I530 HydrophobicContact CE1-CD1 4.05Å; Y112-I530 HydrophobicContact CE1-CG1 4.45Å; Y112-I530 HydrophobicContact CE1-CG2 3.32Å; Y112-I530 HydrophobicContact CE2-CB 4.2Å; Y112-I530 HydrophobicContact CE2-CD1 3.57Å; Y112-I530 HydrophobicContact CE2-CG1 4.38Å; Y112-I530 HydrophobicContact CG-CD1 3.64Å; Y112-I530 HydrophobicContact CG-CG2 4.49Å; Y112-D531 PolarHBondContact OH-OD1 3.32Å; Y112-D531 PolarHBondContact OH-OD2 3.49Å; Y112-V834 HydrophobicContact CD1-CG1 3.4Å; Y112-V834 HydrophobicContact CE1-CG1 3.49Å; Y112-V834 VanDerWaalsContact CE1-CG1 3.49Å; Y112-A838 HydrophobicContact CD1-CB 3.85Å; Y112-A838 HydrophobicContact CG-CB 4.06Å
113G98.8Very high98.9Very high6 Ų610.5 Ų10.56%0.0626%0.06CC..Hα-helixtrans-60.6-38.4178.500000112.8N110 A117 V834N110-G113 PolarHBondContact O-N 3.02Å; N110-G113 PolarHBondContact OD1-N 3.46Å; G113-A117 WeakPolarHBondContact O-CB 3.15Å; G113-A117 PolarHBondContact O-N 3.43Å; G113-V834 VanDerWaalsContact CA-CG1 3.5Å
114A98.9Very high98.9Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-61-52.3172.300000112F102 I106 N110 Y111 Y112 R116 A117 I118 A161F102-A114 HydrophobicContact CB-CB 4.18Å; F102-A114 WeakPolarHBondContact O-CB 3.24Å; I106-A114 HydrophobicContact CD1-CB 4.36Å; I106-A114 HydrophobicContact CG1-CB 3.63Å; N110-A114 PolarHBondContact O-N 2.86Å; N110-A114 VanDerWaalsContact O-N 3.11Å; Y111-A114 PolarHBondContact O-N 2.81Å; Y112-A114 VanDerWaalsContact C-N 3.27Å; Y112-A114 PolarHBondContact O-N 2.81Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.33Å; A114-A117 PolarHBondContact O-N 3.24Å; A114-I118 WeakPolarHBondContact O-CD1 3.45Å; A114-I118 VanDerWaalsContact O-CG1 3.28Å; A114-I118 WeakPolarHBondContact O-CG1 3.4Å; A114-I118 PolarHBondContact O-N 2.9Å; A114-A161 HydrophobicContact CB-CB 3.62Å
115A98.9Very high98.9Very high0 Ų010.2 Ų10.20%06%0.058CC..Hα-helixtrans-61.6-40.517900000112.2Y111 Y112 I118 L119 F165Y111-A115 WeakPolarHBondContact O-CB 3.19Å; Y111-A115 PolarHBondContact O-N 3.1Å; Y112-A115 PolarHBondContact O-N 2.78Å; A115-I118 PolarHBondContact O-N 2.79Å; A115-L119 WeakPolarHBondContact O-CB 3.25Å; A115-L119 VanDerWaalsContact O-CG 3.29Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 3.14Å; A115-F165 HydrophobicContact CB-CB 3.45Å; A115-F165 VanDerWaalsContact CB-CB 3.45Å; A115-F165 HydrophobicContact CB-CD1 4.19Å; A115-F165 HydrophobicContact CB-CG 3.88Å
116R98.8Very high98.8Very high26 Ų2610 Ų1010%0.0986%0.056CC..Hα-helixtrans-60.2-46175172.1171.1175.4-89.83.3111.5Y112 A114 S120 F526 D531 E830Y112-R116 HydrophobicContact CE2-CB 4.48Å; Y112-R116 WeakPolarHBondContact O-CB 3.26Å; Y112-R116 PolarHBondContact O-N 3.18Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.33Å; R116-S120 WeakPolarHBondContact O-CB 3.25Å; R116-S120 PolarHBondContact O-N 2.92Å; R116-S120 PolarHBondContact O-OG 3.17Å; R116-F526 HydrophobicContact CB-CD1 4.3Å; R116-F526 HydrophobicContact CG-CD1 4.18Å; R116-F526 PolarHBondContact NE-O 3.28Å; R116-D531 VanDerWaalsContact CD-OD1 3.3Å; R116-D531 WeakPolarHBondContact CD-OD1 3.49Å; R116-D531 IonicContact NE-OD1 2.65Å; R116-D531 PolarHBondContact NE-OD1 3.45Å; R116-D531 IonicContact NE-OD2 3.39Å; R116-E830 IonicContact CZ-OE1 2.76Å; R116-E830 IonicContact NH1-OE1 3.79Å; R116-E830 PolarHBondContact NH1-OE1 3Å; R116-E830 IonicContact NH2-OE1 3.96Å
117A98.8Very high98.8Very high23 Ų2310 Ų1019%0.196%0.056CC..Hα-helixtrans-62.7-43.517700000111.7F102 G113 A114 S120F102-A117 HydrophobicContact CB-CB 4.01Å; G113-A117 WeakPolarHBondContact O-CB 3.15Å; G113-A117 PolarHBondContact O-N 3.43Å; A114-A117 PolarHBondContact O-N 3.24Å; A117-S120 PolarHBondContact O-N 3.2Å
118I98.9Very high98.8Very high0 Ų09.2 Ų9.20%05%0.051CC..Hα-helixtrans-60.5-53.4176.1-68157.1000110.9L97 F102 A114 A115 S120 D121 N122 Q158 A161L97-I118 WeakPolarHBondContact CD2-O 3.46Å; F102-I118 HydrophobicContact CB-CD1 4.28Å; F102-I118 HydrophobicContact CB-CG1 3.99Å; F102-I118 HydrophobicContact CD1-CD1 4.39Å; F102-I118 HydrophobicContact CD1-CG1 3.73Å; F102-I118 HydrophobicContact CD2-CD1 3.89Å; F102-I118 HydrophobicContact CD2-CG1 4.13Å; F102-I118 HydrophobicContact CE1-CG1 4.16Å; F102-I118 HydrophobicContact CE2-CD1 4.29Å; F102-I118 HydrophobicContact CG-CD1 3.98Å; F102-I118 HydrophobicContact CG-CG1 3.73Å; A114-I118 WeakPolarHBondContact O-CD1 3.45Å; A114-I118 VanDerWaalsContact O-CG1 3.28Å; A114-I118 WeakPolarHBondContact O-CG1 3.4Å; A114-I118 PolarHBondContact O-N 2.9Å; A115-I118 PolarHBondContact O-N 2.79Å; I118-S120 PolarHBondContact O-N 2.97Å; I118-D121 PolarHBondContact O-N 3.46Å; I118-N122 PolarHBondContact O-N 2.87Å; I118-Q158 HydrophobicContact CD1-CB 4.23Å; I118-Q158 HydrophobicContact CD1-CG 3.91Å; I118-Q158 HydrophobicContact CG1-CG 4.2Å; I118-Q158 HydrophobicContact CG2-CG 3.86Å; I118-A161 HydrophobicContact CD1-CB 4.12Å
119L98.9Very high98.8Very high1 Ų18.3 Ų8.31%0.0055%0.046CC..Hα-helixtrans-70.7-20.5-175-68.6170.8000113A115 N122 T162 F165 R210 L249 F526A115-L119 WeakPolarHBondContact O-CB 3.25Å; A115-L119 VanDerWaalsContact O-CG 3.29Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 3.14Å; L119-N122 WeakPolarHBondContact CA-O 3.2Å; L119-T162 HydrophobicContact CD1-CG2 4.36Å; L119-T162 HydrophobicContact CD2-CG2 4.33Å; L119-T162 HydrophobicContact CG-CG2 4.42Å; L119-F165 HydrophobicContact CD1-CD1 3.72Å; L119-F165 HydrophobicContact CD1-CE1 3.66Å; L119-R210 PolarHBondContact O-NH1 3.42Å; L119-R210 PolarHBondContact O-NH2 2.96Å; L119-L249 HydrophobicContact CD1-CD1 4.03Å; L119-F526 HydrophobicContact CB-CB 4.01Å; L119-F526 HydrophobicContact CB-CD1 4.26Å; L119-F526 HydrophobicContact CB-CD2 3.75Å; L119-F526 HydrophobicContact CB-CE2 4.29Å; L119-F526 HydrophobicContact CB-CG 3.74Å; L119-F526 HydrophobicContact CD1-CD2 4.3Å; L119-F526 HydrophobicContact CD1-CE1 4.28Å; L119-F526 HydrophobicContact CD1-CE2 3.98Å; L119-F526 HydrophobicContact CD1-CZ 3.98Å
120S98.8Very high98.8Very high7 Ų76.5 Ų6.55%0.0494%0.039CC..Hα-helixtrans-62.3-44.5174.4-67.60000111.4R116 A117 I118 F207 R210 F526R116-S120 WeakPolarHBondContact O-CB 3.25Å; R116-S120 PolarHBondContact O-N 2.92Å; R116-S120 PolarHBondContact O-OG 3.17Å; A117-S120 PolarHBondContact O-N 3.2Å; I118-S120 PolarHBondContact O-N 2.97Å; S120-F207 WeakPolarHBondContact O-CE1 3.29Å; S120-R210 PolarHBondContact O-NH1 3.45Å; S120-F526 PolarHBondContact OG-N 3.14Å
121D98.8Very high98.8Very high41 Ų417.5 Ų7.522%0.2195%0.045CC..Hα-helixtrans-96.2-23.8-178.1-82.6-53000114L97 I118 K499L97-D121 HydrophobicContact CD2-CB 3.52Å; I118-D121 PolarHBondContact O-N 3.46Å; D121-K499 PolarHBondContact O-NZ 3Å; D121-K499 IonicContact OD1-NZ 3.24Å; D121-K499 PolarHBondContact OD1-NZ 3.34Å
122N98.9Very high98.8Very high1 Ų18.7 Ų8.71%0.0055%0.053CC..  trans-136.999.6-177.8-174.6-19.7000111.1T95 L97 I118 L119 L124 G125 C128T95-N122 HydrophobicContact CG2-CB 4.24Å; L97-N122 HydrophobicContact CD2-CB 3.67Å; L97-N122 HydrophobicContact CG-CB 4.5Å; I118-N122 PolarHBondContact O-N 2.87Å; L119-N122 WeakPolarHBondContact CA-O 3.2Å; N122-L124 PolarHBondContact O-N 3.4Å; N122-L124 VanDerWaalsContact O-N 3.08Å; N122-L124 WeakPolarHBondContact OD1-CA 3.5Å; N122-L124 PolarHBondContact OD1-N 2.97Å; N122-L124 PolarHBondContact OD1-O 3.01Å; N122-G125 PolarHBondContact O-N 3.14Å; N122-G125 PolarHBondContact OD1-N 2.71Å; N122-C128 PolarHBondContact ND2-SG 2.73Å
123P98.8Very high98.7Very high7 Ų79.7 Ų9.75%0.0456%0.059CC..THydrogen-bonded Turntrans-61-16.3178.2-25.435.5000114.9F207P123-F207 HydrophobicContact CG-CD2 4.04Å; P123-F207 HydrophobicContact CG-CE2 3.48Å; P123-F207 VanDerWaalsContact CG-CE2 3.48Å; P123-F207 HydrophobicContact CG-CZ 3.97Å
124L98.9Very high98.7Very high4 Ų410.2 Ų10.22%0.0216%0.062CC..THydrogen-bonded Turntrans-109.143.6173.9-7472.3000111N122 L126 T127 C128 P199 I202 E246 T491 V495N122-L124 PolarHBondContact O-N 3.4Å; N122-L124 VanDerWaalsContact O-N 3.08Å; N122-L124 WeakPolarHBondContact OD1-CA 3.5Å; N122-L124 PolarHBondContact OD1-N 2.97Å; N122-L124 PolarHBondContact OD1-O 3.01Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 3.4Å; L124-T127 PolarHBondContact O-N 2.65Å; L124-C128 WeakPolarHBondContact O-CB 3.49Å; L124-C128 PolarHBondContact O-N 3.45Å; L124-C128 PolarHBondContact O-SG 3.09Å; L124-P199 HydrophobicContact CD2-CB 3.78Å; L124-P199 HydrophobicContact CD2-CG 4.04Å; L124-I202 HydrophobicContact CD1-CB 3.99Å; L124-I202 HydrophobicContact CD1-CG2 3.5Å; L124-I202 VanDerWaalsContact CD1-CG2 3.5Å; L124-I202 HydrophobicContact CG-CG2 4.44Å; L124-E246 WeakPolarHBondContact CA-OE1 3.15Å; L124-T491 HydrophobicContact CD2-CG2 4.44Å; L124-V495 HydrophobicContact CB-CG2 4Å; L124-V495 HydrophobicContact CD1-CG2 4.04Å; L124-V495 HydrophobicContact CD2-CG2 4.15Å; L124-V495 HydrophobicContact CG-CG2 4.3Å
125G98.8Very high98.6Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-58.8-38.1-174.900000114.2N122 G129 Q158 E246N122-G125 PolarHBondContact O-N 3.14Å; N122-G125 PolarHBondContact OD1-N 2.71Å; G125-G129 PolarHBondContact O-N 2.9Å; G125-Q158 WeakPolarHBondContact O-CG 2.93Å; G125-Q158 PolarHBondContact O-NE2 3.04Å; G125-E246 PolarHBondContact N-OE1 3.03Å
126L98.8Very high98.5Very high3 Ų318.5 Ų18.52%0.01610%0.103CC..Hα-helixtrans-75.4-46-180-175.749.1000111.1L124 C128 G129 M130 Q159 T162 E163 V242 F245 E246L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 3.4Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-C128 PolarHBondContact O-N 3.33Å; L126-G129 PolarHBondContact O-N 3.02Å; L126-M130 HydrophobicContact CD1-CE 3.73Å; L126-M130 HydrophobicContact CG-CE 4.1Å; L126-M130 WeakPolarHBondContact O-CG 3.41Å; L126-M130 PolarHBondContact O-N 3.15Å; L126-Q159 HydrophobicContact CD1-CB 4.46Å; L126-Q159 HydrophobicContact CD1-CG 4.03Å; L126-Q159 WeakPolarHBondContact CD1-O 3.12Å; L126-T162 HydrophobicContact CB-CG2 3.65Å; L126-E163 HydrophobicContact CD1-CB 4.49Å; L126-E163 HydrophobicContact CD1-CG 3.55Å; L126-E163 HydrophobicContact CD2-CG 4.23Å; L126-V242 HydrophobicContact CB-CG1 3.83Å; L126-V242 HydrophobicContact CD2-CB 4.2Å; L126-V242 HydrophobicContact CD2-CG1 3.79Å; L126-V242 HydrophobicContact CD2-CG2 3.86Å; L126-V242 HydrophobicContact CG-CB 4.3Å; L126-V242 HydrophobicContact CG-CG1 3.46Å; L126-V242 VanDerWaalsContact CG-CG1 3.46Å; L126-V242 HydrophobicContact CG-CG2 4.05Å; L126-F245 HydrophobicContact CD2-CD1 4.05Å; L126-F245 HydrophobicContact CD2-CE1 4.29Å; L126-E246 WeakPolarHBondContact CA-OE1 3.42Å; L126-E246 WeakPolarHBondContact CB-OE1 3.45Å; L126-E246 PolarHBondContact N-OE1 2.76Å
127T98.9Very high98.5Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-54.5-52174.2-70.80000110.2L124 G129 M130 V131 L238 E246 T491L124-T127 PolarHBondContact O-N 2.65Å; T127-G129 VanDerWaalsContact C-N 3.32Å; T127-G129 PolarHBondContact O-N 2.93Å; T127-M130 PolarHBondContact O-N 3.25Å; T127-V131 HydrophobicContact CG2-CG2 4.11Å; T127-V131 WeakPolarHBondContact O-CG2 3.32Å; T127-V131 PolarHBondContact O-N 3.4Å; T127-V131 VanDerWaalsContact O-N 3.07Å; T127-L238 HydrophobicContact CG2-CD1 4.14Å; T127-L238 HydrophobicContact CG2-CD2 3.77Å; T127-E246 VanDerWaalsContact CB-OE2 3.26Å; T127-E246 WeakPolarHBondContact CB-OE2 3.39Å; T127-E246 PolarHBondContact N-OE1 2.83Å; T127-E246 PolarHBondContact OG1-OE2 2.93Å; T127-T491 HydrophobicContact CG2-CG2 3.98Å
128C98.8Very high98.5Very high1 Ų117.8 Ų17.81%0.00710%0.099CC..Hα-helixtrans-63.1-36.4-179-66.80000112.5N122 L124 L126 M130 V131 C132N122-C128 PolarHBondContact ND2-SG 2.73Å; L124-C128 WeakPolarHBondContact O-CB 3.49Å; L124-C128 PolarHBondContact O-N 3.45Å; L124-C128 PolarHBondContact O-SG 3.09Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-C128 PolarHBondContact O-N 3.33Å; C128-M130 PolarHBondContact O-N 2.84Å; C128-V131 PolarHBondContact O-N 3.26Å; C128-C132 WeakPolarHBondContact O-CB 3.2Å; C128-C132 PolarHBondContact O-N 2.71Å; C128-C132 PolarHBondContact O-SG 3.45Å
129G98.7Very high98.5Very high3 Ų318.6 Ų18.63%0.03110%0.104CC..Hα-helixtrans-59.3-30.8174.700000113G125 L126 T127 G155G125-G129 PolarHBondContact O-N 2.9Å; L126-G129 PolarHBondContact O-N 3.02Å; T127-G129 VanDerWaalsContact C-N 3.32Å; T127-G129 PolarHBondContact O-N 2.93Å; G129-G155 CarbonylContact C-O 3.31Å; G129-G155 WeakPolarHBondContact CA-O 3.41Å; G129-G155 CarbonylContact O-C 3.48Å; G129-G155 WeakPolarHBondContact O-CA 3.23Å
130M98.8Very high98.4Very high13 Ų1320.9 Ų20.96%0.06413%0.127CC..Hα-helixtrans-86.9-35.9179.8-63.8-164.1-171.800114.4K65 L126 T127 C128 Q159 E163 L238 P239 V242K65-M130 HydrophobicContact CD-CB 3.97Å; K65-M130 HydrophobicContact CD-CG 4.46Å; K65-M130 VanDerWaalsContact CD-O 3.3Å; K65-M130 WeakPolarHBondContact CD-O 3.42Å; L126-M130 HydrophobicContact CD1-CE 3.73Å; L126-M130 HydrophobicContact CG-CE 4.1Å; L126-M130 WeakPolarHBondContact O-CG 3.41Å; L126-M130 PolarHBondContact O-N 3.15Å; T127-M130 PolarHBondContact O-N 3.25Å; C128-M130 PolarHBondContact O-N 2.84Å; M130-Q159 HydrophobicContact CE-CG 3.85Å; M130-Q159 HydrophobicContact CG-CB 4.41Å; M130-Q159 HydrophobicContact CG-CG 3.82Å; M130-E163 HydrophobicContact CE-CG 4.35Å; M130-E163 WeakPolarHBondContact CE-OE1 3.45Å; M130-L238 HydrophobicContact CB-CD1 4.36Å; M130-L238 HydrophobicContact SD-CD1 4.04Å; M130-P239 VanDerWaalsContact SD-CD 3.51Å; M130-P239 HydrophobicContact SD-CG 4.44Å; M130-V242 HydrophobicContact CE-CG2 3.47Å; M130-V242 VanDerWaalsContact CE-CG2 3.47Å; M130-V242 HydrophobicContact SD-CG2 4.11Å
131V98.4Very high98.4Very high21 Ų2121.5 Ų21.513%0.12714%0.135CC..Hα-helixtrans-117.1-8-166.4-50.50000115.2T127 C128 I233 L238T127-V131 HydrophobicContact CG2-CG2 4.11Å; T127-V131 WeakPolarHBondContact O-CG2 3.32Å; T127-V131 PolarHBondContact O-N 3.4Å; T127-V131 VanDerWaalsContact O-N 3.07Å; C128-V131 PolarHBondContact O-N 3.26Å; V131-I233 HydrophobicContact CG1-CD1 4.32Å; V131-I233 HydrophobicContact CG1-CG2 4.12Å; V131-I233 HydrophobicContact CG2-CD1 4.39Å; V131-L238 HydrophobicContact CG1-CB 3.94Å; V131-L238 HydrophobicContact CG1-CD1 4.33Å; V131-L238 HydrophobicContact CG1-CD2 4.2Å; V131-L238 HydrophobicContact CG1-CG 4.4Å
132C98.3Very high98.4Very high26 Ų2620.2 Ų20.218%0.17613%0.129CC..  trans-59.2133.1179.9-87.40000111.2C128 T134 L137C128-C132 WeakPolarHBondContact O-CB 3.2Å; C128-C132 PolarHBondContact O-N 2.71Å; C128-C132 PolarHBondContact O-SG 3.45Å; C132-T134 HydrophobicContact CB-CG2 3.89Å; C132-T134 WeakPolarHBondContact O-CG2 3.34Å; C132-T134 PolarHBondContact O-N 3Å; C132-L137 HydrophobicContact CB-CD1 4.49Å
133P97.4Very high98.4Very high20 Ų2024.2 Ų24.213%0.1315%0.15CC..  trans-74.668.9171.530.3-33.8000110.2S135 E136 L137 V375 T490P133-S135 PolarHBondContact O-N 3.27Å; P133-S135 VanDerWaalsContact O-N 3.09Å; P133-E136 PolarHBondContact O-N 2.86Å; P133-E136 VanDerWaalsContact O-N 3.15Å; P133-L137 HydrophobicContact CG-CD1 4.02Å; P133-L137 HydrophobicContact CG-CG 4.46Å; P133-V375 HydrophobicContact CB-CB 4.17Å; P133-V375 HydrophobicContact CB-CG1 3.47Å; P133-V375 VanDerWaalsContact CB-CG1 3.47Å; P133-V375 HydrophobicContact CB-CG2 3.67Å; P133-T490 HydrophobicContact CG-CG2 3.6Å
134T98.2Very high98.4Very high18 Ų1824.5 Ų24.511%0.1115%0.151CC..G310 helixtrans-60.6-28.3-162.860.10000114.8C132 E136 L137 C138 V139 G140C132-T134 HydrophobicContact CB-CG2 3.89Å; C132-T134 WeakPolarHBondContact O-CG2 3.34Å; C132-T134 PolarHBondContact O-N 3Å; T134-E136 VanDerWaalsContact C-N 3.27Å; T134-E136 PolarHBondContact O-N 3.06Å; T134-L137 CarbonylContact O-C 3.57Å; T134-L137 VanDerWaalsContact O-C 3.26Å; T134-L137 WeakPolarHBondContact O-CA 3.36Å; T134-L137 PolarHBondContact O-N 3.27Å; T134-C138 PolarHBondContact O-N 2.83Å; T134-V139 HydrophobicContact CG2-CG2 4.36Å; T134-V139 WeakPolarHBondContact O-CA 3.47Å; T134-V139 VanDerWaalsContact O-CB 3.31Å; T134-V139 WeakPolarHBondContact O-CB 3.49Å; T134-V139 PolarHBondContact O-N 3.07Å; T134-G140 PolarHBondContact O-N 2.98Å
135S97.6Very high98.4Very high28 Ų2832.5 Ų32.520%0.19618%0.183CC..G310 helixtrans-60.8-32.4178.950.90000113.3P133 G140 E377P133-S135 PolarHBondContact O-N 3.27Å; P133-S135 VanDerWaalsContact O-N 3.09Å; S135-G140 WeakPolarHBondContact O-CA 2.92Å; S135-G140 PolarHBondContact O-N 2.9Å; S135-E377 WeakPolarHBondContact CB-OE1 3.44Å; S135-E377 VanDerWaalsContact OG-CD 3.26Å; S135-E377 PolarHBondContact OG-OE1 2.74Å; S135-E377 PolarHBondContact OG-OE2 3.01Å
136E96.6Very high98.4Very high146 Ų14637.3 Ų37.368%0.68222%0.222SC*.G310 helixtrans-92.5-1.8173.8-66.4-65.6147.200112.7P133 T134 V375P133-E136 PolarHBondContact O-N 2.86Å; P133-E136 VanDerWaalsContact O-N 3.15Å; T134-E136 VanDerWaalsContact C-N 3.27Å; T134-E136 PolarHBondContact O-N 3.06Å; E136-V375 HydrophobicContact CB-CG1 4.24Å; E136-V375 HydrophobicContact CG-CG1 3.52Å
137L98.3Very high98.3Very high23 Ų2338.3 Ų38.312%0.1223%0.229CC..THydrogen-bonded Turntrans-122.7-126.5-176.9-58.7178.1000110.7S92 P94 C132 P133 T134 V139 G140 G141 V492S92-L137 WeakPolarHBondContact CB-O 3.36Å; S92-L137 CarbonylContact O-C 3.53Å; P94-L137 HydrophobicContact CG-CD2 4.01Å; C132-L137 HydrophobicContact CB-CD1 4.49Å; P133-L137 HydrophobicContact CG-CD1 4.02Å; P133-L137 HydrophobicContact CG-CG 4.46Å; T134-L137 CarbonylContact O-C 3.57Å; T134-L137 VanDerWaalsContact O-C 3.26Å; T134-L137 WeakPolarHBondContact O-CA 3.36Å; T134-L137 PolarHBondContact O-N 3.27Å; L137-V139 VanDerWaalsContact C-N 3.31Å; L137-V139 PolarHBondContact O-N 2.95Å; L137-G140 PolarHBondContact O-N 3.02Å; L137-G141 PolarHBondContact O-N 2.87Å; L137-V492 HydrophobicContact CD1-CG1 3.81Å
138C98.5Very high98.3Very high10 Ų1047.4 Ų47.47%0.06827%0.272CS..THydrogen-bonded Turntrans-56.9-35.5-174.558.80000114.8C89 S92 C93 I99 T134 I154C89-C138 WeakPolarHBondContact CA-O 3.06Å; C89-C138 HydrophobicContact CB-CB 4.29Å; C89-C138 WeakPolarHBondContact CB-O 3.39Å; C89-C138 WeakPolarHBondContact O-CA 3.44Å; C89-C138 VanDerWaalsContact O-CB 3.25Å; C89-C138 WeakPolarHBondContact O-CB 3.48Å; S92-C138 PolarHBondContact O-N 3.46Å; C93-C138 HydrophobicContact CB-CB 4.42Å; I99-C138 HydrophobicContact CD1-CB 3.73Å; T134-C138 PolarHBondContact O-N 2.83Å; C138-I154 HydrophobicContact CB-CD1 3.98Å
139V98.8Very high98.2Very high18 Ų1852.9 Ų52.911%0.10930%0.297CS..THydrogen-bonded Turntrans-78.2-33.5-178.5172.50000110.9T134 L137 G141 C142 P151 I152 I154T134-V139 HydrophobicContact CG2-CG2 4.36Å; T134-V139 WeakPolarHBondContact O-CA 3.47Å; T134-V139 VanDerWaalsContact O-CB 3.31Å; T134-V139 WeakPolarHBondContact O-CB 3.49Å; T134-V139 PolarHBondContact O-N 3.07Å; L137-V139 VanDerWaalsContact C-N 3.31Å; L137-V139 PolarHBondContact O-N 2.95Å; V139-G141 PolarHBondContact O-N 2.68Å; V139-C142 VanDerWaalsContact O-CB 3.25Å; V139-C142 WeakPolarHBondContact O-CB 3.29Å; V139-C142 PolarHBondContact O-N 2.82Å; V139-P151 HydrophobicContact CG1-CB 3.74Å; V139-P151 HydrophobicContact CG1-CG 3.6Å; V139-I152 VanDerWaalsContact CG2-O 3.29Å; V139-I152 WeakPolarHBondContact CG2-O 3.36Å; V139-I154 HydrophobicContact CG2-CB 3.97Å; V139-I154 HydrophobicContact CG2-CD1 3.81Å; V139-I154 HydrophobicContact CG2-CG1 3.88Å
140G98.1Very high98.2Very high48 Ų4853.5 Ų53.550%0.49530%0.303SS..THydrogen-bonded Turntrans-59.5-31.2173.600000113.5T134 S135 L137T134-G140 PolarHBondContact O-N 2.98Å; S135-G140 WeakPolarHBondContact O-CA 2.92Å; S135-G140 PolarHBondContact O-N 2.9Å; L137-G140 PolarHBondContact O-N 3.02Å
141G98.2Very high98.2Very high20 Ų2054.6 Ų54.621%0.20631%0.312CS..THydrogen-bonded Turntrans-89.31.6174.600000115.4P88 L137 V139 N143P88-G141 VanDerWaalsContact CB-O 3.24Å; P88-G141 WeakPolarHBondContact CB-O 3.28Å; P88-G141 WeakPolarHBondContact CG-O 3.4Å; L137-G141 PolarHBondContact O-N 2.87Å; V139-G141 PolarHBondContact O-N 2.68Å; G141-N143 PolarHBondContact O-N 3.02Å
142C98.9Very high98.2Very high15 Ų1553.8 Ų53.810%0.10131%0.306CS..  trans-71.3127.4-171.5-175.10000112.7V139 L144 Y145 P151V139-C142 VanDerWaalsContact O-CB 3.25Å; V139-C142 WeakPolarHBondContact O-CB 3.29Å; V139-C142 PolarHBondContact O-N 2.82Å; C142-L144 PolarHBondContact O-N 3.4Å; C142-L144 VanDerWaalsContact O-N 3.12Å; C142-Y145 WeakPolarHBondContact O-CB 3.48Å; C142-Y145 PolarHBondContact O-N 3.35Å; C142-P151 HydrophobicContact CB-CB 3.67Å
143N98.8Very high98.3Very high84 Ų8454 Ų5445%0.44931%0.306SS..G310 helixtrans-56.4-31.1177.8-75-24.7000114.2C84 P88 G141 Y145 A146C84-N143 PolarHBondContact SG-ND2 2.86Å; P88-N143 WeakPolarHBondContact CG-OD1 3.14Å; G141-N143 PolarHBondContact O-N 3.02Å; N143-Y145 PolarHBondContact O-N 2.92Å; N143-A146 WeakPolarHBondContact O-CB 3.19Å; N143-A146 PolarHBondContact O-N 3.12Å; N143-A146 VanDerWaalsContact O-N 3.1Å
144L98.6Very high98.3Very high13 Ų1353.1 Ų53.17%0.06830%0.3CS..G310 helixtrans-71.1-8.2178.1-80.8171.5000113.5L82 C142 A146 S147 G150 I152L82-L144 HydrophobicContact CD1-CD2 3.81Å; L82-L144 HydrophobicContact CD1-CG 3.85Å; L82-L144 HydrophobicContact CD2-CD2 4.13Å; L82-L144 HydrophobicContact CG-CD1 3.95Å; L82-L144 HydrophobicContact CG-CD2 3.88Å; L82-L144 HydrophobicContact CG-CG 3.79Å; C142-L144 PolarHBondContact O-N 3.4Å; C142-L144 VanDerWaalsContact O-N 3.12Å; L144-A146 PolarHBondContact O-N 3.36Å; L144-A146 VanDerWaalsContact O-N 3.15Å; L144-S147 PolarHBondContact O-N 3.49Å; L144-S147 PolarHBondContact O-OG 2.76Å; L144-G150 CarbonylContact O-C 3.58Å; L144-G150 VanDerWaalsContact O-C 3.22Å; L144-I152 HydrophobicContact CD1-CD1 3.66Å; L144-I152 HydrophobicContact CD1-CG1 3.66Å
145Y98.3Very high98.4Very high173 Ų17352.4 Ų52.468%0.67830%0.296SS*.G310 helixtrans-56-26165.1-168.9-93.5000112.1C142 N143 S147 P151C142-Y145 WeakPolarHBondContact O-CB 3.48Å; C142-Y145 PolarHBondContact O-N 3.35Å; N143-Y145 PolarHBondContact O-N 2.92Å; Y145-S147 PolarHBondContact O-N 2.78Å; Y145-P151 HydrophobicContact CD2-CB 4.44Å; Y145-P151 HydrophobicContact CD2-CG 4Å
146A98.5Very high98.4Very high100 Ų10051 Ų5183%0.82629%0.287SS*.G310 helixtrans-78.59.6175.500000114.6N143 L144N143-A146 WeakPolarHBondContact O-CB 3.19Å; N143-A146 PolarHBondContact O-N 3.12Å; N143-A146 VanDerWaalsContact O-N 3.1Å; L144-A146 PolarHBondContact O-N 3.36Å; L144-A146 VanDerWaalsContact O-N 3.15Å
147S98.1Very high98.5Very high25 Ų2544.1 Ų44.118%0.17525%0.254CS..SBendtrans-121.2155177.166.90000111.3L144 Y145 E149 G150L144-S147 PolarHBondContact O-N 3.49Å; L144-S147 PolarHBondContact O-OG 2.76Å; Y145-S147 PolarHBondContact O-N 2.78Å; S147-E149 PolarHBondContact O-N 3.33Å; S147-E149 WeakPolarHBondContact OG-CG 3.49Å; S147-G150 WeakPolarHBondContact O-CA 3.33Å; S147-G150 PolarHBondContact O-N 3.42Å
148E98.4Very high98.6Very high190 Ų19043.5 Ų43.589%0.88825%0.251SS*.THydrogen-bonded Turntrans-63.1-29.3-177.5-62.694.814000113.3G150E148-G150 PolarHBondContact O-N 2.78Å
149E97.6Very high98.6Very high117 Ų11743.2 Ų43.255%0.54725%0.249SC..THydrogen-bonded Turntrans-72.7-13.7173.162.2-93.1-145.100114S147S147-E149 PolarHBondContact O-N 3.33Å; S147-E149 WeakPolarHBondContact OG-CG 3.49Å
150G98.4Very high98.6Very high15 Ų1542.9 Ų42.916%0.15525%0.246CC..  trans77.4-178174.600000115.2R80 L144 S147 E148R80-G150 PolarHBondContact NH1-O 3.01Å; L144-G150 CarbonylContact O-C 3.58Å; L144-G150 VanDerWaalsContact O-C 3.22Å; S147-G150 WeakPolarHBondContact O-CA 3.33Å; S147-G150 PolarHBondContact O-N 3.42Å; E148-G150 PolarHBondContact O-N 2.78Å
151P98.7Very high98.6Very high37 Ų3740.6 Ų40.624%0.2422%0.222CC..SBendtrans-69.5167.6-173.434.6-39.5000112.3R80 V139 C142 Y145R80-P151 PolarHBondContact NH2-O 2.69Å; V139-P151 HydrophobicContact CG1-CB 3.74Å; V139-P151 HydrophobicContact CG1-CG 3.6Å; C142-P151 HydrophobicContact CB-CB 3.67Å; Y145-P151 HydrophobicContact CD2-CB 4.44Å; Y145-P151 HydrophobicContact CD2-CG 4Å
152I98.9Very high98.7Very high3 Ų339.6 Ų39.62%0.01521%0.212CC..  trans-75.8141.9-179.3-66.6-72.3000111.3E77 R80 C81 I103 V139 L144 I154 L157E77-I152 HydrophobicContact CG-CD1 4.46Å; E77-I152 HydrophobicContact CG-CG2 4.22Å; E77-I152 WeakPolarHBondContact OE1-CA 3.32Å; R80-I152 HydrophobicContact CB-CD1 4.17Å; R80-I152 HydrophobicContact CG-CD1 4.31Å; C81-I152 HydrophobicContact CB-CD1 3.8Å; C81-I152 HydrophobicContact CB-CG1 4.04Å; I103-I152 HydrophobicContact CD1-CG2 4.1Å; V139-I152 VanDerWaalsContact CG2-O 3.29Å; V139-I152 WeakPolarHBondContact CG2-O 3.36Å; L144-I152 HydrophobicContact CD1-CD1 3.66Å; L144-I152 HydrophobicContact CD1-CG1 3.66Å; I152-I154 HydrophobicContact CB-CG1 4.08Å; I152-I154 HydrophobicContact CG2-CG1 3.86Å; I152-I154 PolarHBondContact O-N 2.81Å; I152-L157 HydrophobicContact CG2-CD1 3.73Å
153N98.8Very high98.6Very high30 Ų3041.5 Ų41.516%0.1622%0.219CC..  trans-73.876.1166.1178.813.2000111.1T67 E77 G156 L157T67-N153 WeakPolarHBondContact CB-OD1 3.29Å; T67-N153 WeakPolarHBondContact CG2-OD1 3.4Å; T67-N153 PolarHBondContact O-ND2 2.79Å; E77-N153 HydrophobicContact CG-CB 4.22Å; E77-N153 PolarHBondContact OE1-N 3.19Å; N153-G156 WeakPolarHBondContact OD1-CA 3.4Å; N153-G156 PolarHBondContact OD1-N 2.95Å; N153-L157 WeakPolarHBondContact O-CG 3.47Å; N153-L157 PolarHBondContact O-N 2.82Å
154I98.9Very high98.6Very high2 Ų237.7 Ų37.71%0.0120%0.2CC..Hα-helixtrans-66.3-43.7-175.6-58.6172.5000110.9C89 I99 F102 C138 V139 I152 G156 L157 Q158C89-I154 HydrophobicContact CB-CD1 3.74Å; I99-I154 HydrophobicContact CD1-CD1 4.37Å; I99-I154 HydrophobicContact CD1-CG2 4.08Å; I99-I154 HydrophobicContact CG1-CG2 4.1Å; I99-I154 HydrophobicContact CG2-CD1 4.25Å; I99-I154 HydrophobicContact CG2-CG1 4.4Å; I99-I154 HydrophobicContact CG2-CG2 3.97Å; F102-I154 HydrophobicContact CZ-CG2 3.93Å; C138-I154 HydrophobicContact CB-CD1 3.98Å; V139-I154 HydrophobicContact CG2-CB 3.97Å; V139-I154 HydrophobicContact CG2-CD1 3.81Å; V139-I154 HydrophobicContact CG2-CG1 3.88Å; I152-I154 HydrophobicContact CB-CG1 4.08Å; I152-I154 HydrophobicContact CG2-CG1 3.86Å; I152-I154 PolarHBondContact O-N 2.81Å; I154-G156 PolarHBondContact O-N 2.87Å; I154-L157 PolarHBondContact O-N 2.94Å; I154-Q158 WeakPolarHBondContact O-CB 3.31Å; I154-Q158 PolarHBondContact O-N 2.88Å
155G98.8Very high98.6Very high3 Ų337.2 Ų37.23%0.03120%0.197CC..Hα-helixtrans-59.9-47179.100000112.7G129 L157 Q158 Q159G129-G155 CarbonylContact C-O 3.31Å; G129-G155 WeakPolarHBondContact CA-O 3.41Å; G129-G155 CarbonylContact O-C 3.48Å; G129-G155 WeakPolarHBondContact O-CA 3.23Å; G155-L157 VanDerWaalsContact C-N 3.33Å; G155-L157 PolarHBondContact O-N 3.13Å; G155-Q158 WeakPolarHBondContact O-CB 3.04Å; G155-Q158 PolarHBondContact O-N 3.08Å; G155-Q159 WeakPolarHBondContact O-CB 3.36Å; G155-Q159 PolarHBondContact O-N 3.11Å
156G98.9Very high98.4Very high0 Ų029.9 Ų29.90%017%0.171CC..Hα-helixtrans-63.3-34.5177.300000114.3T67 N153 I154 F160T67-G156 WeakPolarHBondContact O-CA 3.27Å; N153-G156 WeakPolarHBondContact OD1-CA 3.4Å; N153-G156 PolarHBondContact OD1-N 2.95Å; I154-G156 PolarHBondContact O-N 2.87Å; G156-F160 WeakPolarHBondContact O-CB 3.43Å; G156-F160 PolarHBondContact O-N 3.29Å
157L98.9Very high98.2Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-69.1-42.7174.2-73.6173.3000111.8L69 A74 E77 A78 F102 I103 I106 I152 N153 I154 G155 F160 A161L69-L157 HydrophobicContact CD1-CD2 3.93Å; L69-L157 HydrophobicContact CD1-CG 4.08Å; A74-L157 HydrophobicContact CB-CD2 3.94Å; A74-L157 VanDerWaalsContact O-CD2 3.28Å; A74-L157 WeakPolarHBondContact O-CD2 3.43Å; E77-L157 HydrophobicContact CB-CD1 4.42Å; E77-L157 HydrophobicContact CB-CD2 4.23Å; E77-L157 HydrophobicContact CG-CD1 4Å; E77-L157 HydrophobicContact CG-CG 4.3Å; A78-L157 HydrophobicContact CB-CD2 4.03Å; F102-L157 HydrophobicContact CE2-CB 4.32Å; I103-L157 HydrophobicContact CD1-CD1 3.71Å; I103-L157 HydrophobicContact CG1-CD1 3.93Å; I103-L157 HydrophobicContact CG2-CD1 4.06Å; I106-L157 HydrophobicContact CD1-CB 3.82Å; I106-L157 HydrophobicContact CD1-CD2 4.13Å; I106-L157 VanDerWaalsContact CD1-O 3.27Å; I106-L157 WeakPolarHBondContact CD1-O 3.49Å; I106-L157 HydrophobicContact CG2-CD2 4.21Å; I152-L157 HydrophobicContact CG2-CD1 3.73Å; N153-L157 WeakPolarHBondContact O-CG 3.47Å; N153-L157 PolarHBondContact O-N 2.82Å; I154-L157 PolarHBondContact O-N 2.94Å; G155-L157 VanDerWaalsContact C-N 3.33Å; G155-L157 PolarHBondContact O-N 3.13Å; L157-F160 PolarHBondContact O-N 2.8Å; L157-A161 PolarHBondContact O-N 3.09Å; L157-A161 VanDerWaalsContact O-N 3.12Å
158Q98.9Very high98.1Very high11 Ų1128.1 Ų28.15%0.05114%0.142CC..Hα-helixtrans-62.1-44174.7176.5174.6-20.800111.7L97 F102 I118 G125 I154 G155 T162L97-Q158 VanDerWaalsContact CD1-OE1 3.28Å; F102-Q158 HydrophobicContact CE2-CB 4.29Å; F102-Q158 HydrophobicContact CZ-CB 4.15Å; I118-Q158 HydrophobicContact CD1-CB 4.23Å; I118-Q158 HydrophobicContact CD1-CG 3.91Å; I118-Q158 HydrophobicContact CG1-CG 4.2Å; I118-Q158 HydrophobicContact CG2-CG 3.86Å; G125-Q158 WeakPolarHBondContact O-CG 2.93Å; G125-Q158 PolarHBondContact O-NE2 3.04Å; I154-Q158 WeakPolarHBondContact O-CB 3.31Å; I154-Q158 PolarHBondContact O-N 2.88Å; G155-Q158 WeakPolarHBondContact O-CB 3.04Å; G155-Q158 PolarHBondContact O-N 3.08Å; Q158-T162 PolarHBondContact O-N 3.49Å; Q158-T162 PolarHBondContact O-OG1 2.71Å
159Q98.9Very high97.8Very high3 Ų319.4 Ų19.41%0.01410%0.102CC..Hα-helixtrans-56.5-57.3173.1177.7-174.5-10.800110.2T68 L126 M130 G155 A161 T162 E163T68-Q159 PolarHBondContact OG1-NE2 2.5Å; L126-Q159 HydrophobicContact CD1-CB 4.46Å; L126-Q159 HydrophobicContact CD1-CG 4.03Å; L126-Q159 WeakPolarHBondContact CD1-O 3.12Å; M130-Q159 HydrophobicContact CE-CG 3.85Å; M130-Q159 HydrophobicContact CG-CB 4.41Å; M130-Q159 HydrophobicContact CG-CG 3.82Å; G155-Q159 WeakPolarHBondContact O-CB 3.36Å; G155-Q159 PolarHBondContact O-N 3.11Å; Q159-A161 PolarHBondContact O-N 2.94Å; Q159-T162 PolarHBondContact O-N 2.87Å; Q159-E163 HydrophobicContact CG-CG 4.14Å; Q159-E163 VanDerWaalsContact CG-OE1 3.32Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.43Å; Q159-E163 PolarHBondContact NE2-OE1 2.92Å; Q159-E163 WeakPolarHBondContact O-CB 3.47Å; Q159-E163 WeakPolarHBondContact O-CG 3.41Å; Q159-E163 PolarHBondContact O-N 3.06Å
160F98.9Very high97.7Very high11 Ų1114 Ų145%0.0488%0.077CC..Hα-helixtrans-54.8-50.2-175.9170.4-98.8000112.9E71 A74 I106 Y111 G156 L157 T162 E163 V164E71-F160 VanDerWaalsContact CA-CE2 3.4Å; E71-F160 HydrophobicContact CB-CE2 3.76Å; E71-F160 HydrophobicContact CB-CZ 3.7Å; E71-F160 HydrophobicContact CG-CE2 4.39Å; E71-F160 HydrophobicContact CG-CZ 3.82Å; A74-F160 HydrophobicContact CB-CB 4.09Å; A74-F160 HydrophobicContact CB-CD1 3.35Å; A74-F160 HydrophobicContact CB-CD2 4.07Å; A74-F160 HydrophobicContact CB-CE1 3.75Å; A74-F160 HydrophobicContact CB-CE2 4.42Å; A74-F160 HydrophobicContact CB-CG 3.53Å; A74-F160 HydrophobicContact CB-CZ 4.29Å; I106-F160 HydrophobicContact CG2-CD1 4.32Å; I106-F160 HydrophobicContact CG2-CE1 4.39Å; Y111-F160 AromaticContact CD1-CE1 3.66Å; Y111-F160 HydrophobicContact CD1-CE1 3.66Å; Y111-F160 HydrophobicContact CD1-CZ 4.4Å; Y111-F160 AromaticContact CE1-CE1 3.5Å; Y111-F160 HydrophobicContact CE1-CE1 3.5Å; Y111-F160 HydrophobicContact CE1-CZ 4.09Å; Y111-F160 HydrophobicContact CE2-CE1 4.43Å; Y111-F160 HydrophobicContact CE2-CZ 4.27Å; Y111-F160 HydrophobicContact CG-CE1 4.23Å; Y111-F160 AromaticContact CZ-CE1 3.9Å; Y111-F160 AromaticContact CZ-CZ 3.99Å; G156-F160 WeakPolarHBondContact O-CB 3.43Å; G156-F160 PolarHBondContact O-N 3.29Å; L157-F160 PolarHBondContact O-N 2.8Å; F160-T162 VanDerWaalsContact C-N 3.33Å; F160-T162 PolarHBondContact O-N 3.44Å; F160-E163 PolarHBondContact O-N 3.26Å; F160-V164 HydrophobicContact CD2-CG2 4.37Å; F160-V164 HydrophobicContact CE1-CG2 4.29Å; F160-V164 HydrophobicContact CE2-CG2 3.85Å; F160-V164 HydrophobicContact CZ-CG2 3.8Å; F160-V164 WeakPolarHBondContact O-CG2 3.47Å; F160-V164 PolarHBondContact O-N 3.31Å
161A98.9Very high97.5Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-61-43.3-17900000112.3I106 A114 I118 L157 Q159 V164 F165I106-A161 HydrophobicContact CD1-CB 3.95Å; I106-A161 HydrophobicContact CG1-CB 4.01Å; A114-A161 HydrophobicContact CB-CB 3.62Å; I118-A161 HydrophobicContact CD1-CB 4.12Å; L157-A161 PolarHBondContact O-N 3.09Å; L157-A161 VanDerWaalsContact O-N 3.12Å; Q159-A161 PolarHBondContact O-N 2.94Å; A161-V164 PolarHBondContact O-N 2.71Å; A161-F165 PolarHBondContact O-N 3.4Å; A161-F165 VanDerWaalsContact O-N 3.07Å
162T98.8Very high97.5Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-76.2-30.7-176.8-40.20000111.8L119 L126 Q158 Q159 F160 F165 S166 F245L119-T162 HydrophobicContact CD1-CG2 4.36Å; L119-T162 HydrophobicContact CD2-CG2 4.33Å; L119-T162 HydrophobicContact CG-CG2 4.42Å; L126-T162 HydrophobicContact CB-CG2 3.65Å; Q158-T162 PolarHBondContact O-N 3.49Å; Q158-T162 PolarHBondContact O-OG1 2.71Å; Q159-T162 PolarHBondContact O-N 2.87Å; F160-T162 VanDerWaalsContact C-N 3.33Å; F160-T162 PolarHBondContact O-N 3.44Å; T162-F165 PolarHBondContact O-N 2.95Å; T162-S166 WeakPolarHBondContact O-CB 3.4Å; T162-S166 PolarHBondContact O-N 3.33Å; T162-F245 HydrophobicContact CG2-CE1 4.03Å
163E98.2Very high97.4Very high54 Ų5414.1 Ų14.125%0.2527%0.073SC..Hα-helixtrans-62.6-44.4169.3-75-175.3178.800111.5L126 M130 Q159 F160 F165 S166 K167L126-E163 HydrophobicContact CD1-CB 4.49Å; L126-E163 HydrophobicContact CD1-CG 3.55Å; L126-E163 HydrophobicContact CD2-CG 4.23Å; M130-E163 HydrophobicContact CE-CG 4.35Å; M130-E163 WeakPolarHBondContact CE-OE1 3.45Å; Q159-E163 HydrophobicContact CG-CG 4.14Å; Q159-E163 VanDerWaalsContact CG-OE1 3.32Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.43Å; Q159-E163 PolarHBondContact NE2-OE1 2.92Å; Q159-E163 WeakPolarHBondContact O-CB 3.47Å; Q159-E163 WeakPolarHBondContact O-CG 3.41Å; Q159-E163 PolarHBondContact O-N 3.06Å; F160-E163 PolarHBondContact O-N 3.26Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-F165 PolarHBondContact O-N 3.34Å; E163-S166 WeakPolarHBondContact O-CB 3.33Å; E163-S166 PolarHBondContact O-N 3.43Å; E163-K167 WeakPolarHBondContact O-CG 3.36Å; E163-K167 PolarHBondContact O-N 3.37Å
164V98.1Very high97.3Very high5 Ų516.3 Ų16.33%0.038%0.079CC..Hα-helixtrans-61.7-44.1176.6175.20000110.5Y111 F160 A161 S166 K167 M168 W850 P855Y111-V164 HydrophobicContact CD2-CG1 3.87Å; Y111-V164 HydrophobicContact CD2-CG2 4.43Å; Y111-V164 HydrophobicContact CG-CG1 4.19Å; F160-V164 HydrophobicContact CD2-CG2 4.37Å; F160-V164 HydrophobicContact CE1-CG2 4.29Å; F160-V164 HydrophobicContact CE2-CG2 3.85Å; F160-V164 HydrophobicContact CZ-CG2 3.8Å; F160-V164 WeakPolarHBondContact O-CG2 3.47Å; F160-V164 PolarHBondContact O-N 3.31Å; A161-V164 PolarHBondContact O-N 2.71Å; V164-S166 PolarHBondContact O-N 3.38Å; V164-K167 WeakPolarHBondContact O-CB 3.49Å; V164-K167 PolarHBondContact O-N 3.15Å; V164-M168 HydrophobicContact CG1-CE 4.05Å; V164-M168 WeakPolarHBondContact O-CG 3.28Å; V164-M168 PolarHBondContact O-N 3.15Å; V164-W850 HydrophobicContact CG1-CH2 4.25Å; V164-W850 HydrophobicContact CG1-CZ3 4.14Å; V164-P855 HydrophobicContact CG2-CG 4.32Å
165F97.9Very high97.2Very high2 Ų217 Ų171%0.0098%0.082CC..Hα-helixtrans-61.7-41.9175.2174.7-117.3000112.5Y112 A115 L119 A161 T162 E163 K167 M168 I170 F245 L249 F526Y112-F165 AromaticContact CD2-CD2 3.84Å; Y112-F165 HydrophobicContact CD2-CD2 3.84Å; Y112-F165 AromaticContact CD2-CE2 3.94Å; Y112-F165 HydrophobicContact CD2-CE2 3.94Å; Y112-F165 HydrophobicContact CE2-CD2 4.31Å; Y112-F165 AromaticContact CE2-CE2 3.95Å; Y112-F165 HydrophobicContact CE2-CE2 3.95Å; A115-F165 HydrophobicContact CB-CB 3.45Å; A115-F165 VanDerWaalsContact CB-CB 3.45Å; A115-F165 HydrophobicContact CB-CD1 4.19Å; A115-F165 HydrophobicContact CB-CG 3.88Å; L119-F165 HydrophobicContact CD1-CD1 3.72Å; L119-F165 HydrophobicContact CD1-CE1 3.66Å; A161-F165 PolarHBondContact O-N 3.4Å; A161-F165 VanDerWaalsContact O-N 3.07Å; T162-F165 PolarHBondContact O-N 2.95Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-F165 PolarHBondContact O-N 3.34Å; F165-K167 VanDerWaalsContact C-N 3.3Å; F165-K167 PolarHBondContact O-N 3.05Å; F165-M168 HydrophobicContact CD2-SD 4.29Å; F165-M168 WeakPolarHBondContact O-CB 3.42Å; F165-M168 PolarHBondContact O-N 3.48Å; F165-I170 HydrophobicContact CE2-CB 3.94Å; F165-I170 HydrophobicContact CE2-CG2 4.39Å; F165-I170 HydrophobicContact CZ-CB 4.45Å; F165-F245 HydrophobicContact CD1-CE2 4.36Å; F165-F245 AromaticContact CD1-CZ 3.73Å; F165-F245 HydrophobicContact CD1-CZ 3.73Å; F165-F245 HydrophobicContact CE1-CE2 4.28Å; F165-F245 AromaticContact CE1-CZ 3.91Å; F165-F245 HydrophobicContact CE1-CZ 3.91Å; F165-L249 HydrophobicContact CE1-CD1 4.18Å; F165-L249 HydrophobicContact CE1-CD2 4.29Å; F165-F526 HydrophobicContact CE1-CE1 4.25Å; F165-F526 AromaticContact CE1-CZ 3.77Å; F165-F526 HydrophobicContact CE1-CZ 3.77Å; F165-F526 AromaticContact CZ-CE1 4Å; F165-F526 HydrophobicContact CZ-CE1 4Å; F165-F526 AromaticContact CZ-CZ 3.67Å; F165-F526 HydrophobicContact CZ-CZ 3.67Å
166S95.8Very high97Very high19 Ų1919.8 Ų19.813%0.13310%0.1CC..Hα-helixtrans-55.7-46.7172.7-174.10000110.8T162 E163 V164 M168 G169 F245 V911T162-S166 WeakPolarHBondContact O-CB 3.4Å; T162-S166 PolarHBondContact O-N 3.33Å; E163-S166 WeakPolarHBondContact O-CB 3.33Å; E163-S166 PolarHBondContact O-N 3.43Å; V164-S166 PolarHBondContact O-N 3.38Å; S166-M168 VanDerWaalsContact C-N 3.26Å; S166-M168 PolarHBondContact O-N 3.35Å; S166-G169 PolarHBondContact O-N 3.29Å; S166-F245 WeakPolarHBondContact OG-CD2 3.34Å; S166-V911 VanDerWaalsContact O-CG1 3.3Å; S166-V911 WeakPolarHBondContact O-CG1 3.33Å
167K94.3Very high96.9Very high88 Ų8827.4 Ų27.438%0.38314%0.135SC..Hα-helixtrans-64.1-22.6176-68.8-175.5-178.4-166.90114.2E163 V164 F165 G169 W850 E858E163-K167 WeakPolarHBondContact O-CG 3.36Å; E163-K167 PolarHBondContact O-N 3.37Å; V164-K167 WeakPolarHBondContact O-CB 3.49Å; V164-K167 PolarHBondContact O-N 3.15Å; F165-K167 VanDerWaalsContact C-N 3.3Å; F165-K167 PolarHBondContact O-N 3.05Å; K167-G169 PolarHBondContact O-N 3.01Å; K167-W850 HydrophobicContact CB-CH2 4.07Å; K167-W850 HydrophobicContact CB-CZ2 3.96Å; K167-E858 IonicContact NZ-OE1 2.64Å; K167-E858 PolarHBondContact NZ-OE1 2.85Å
168M94.6Very high96.7Very high1 Ų129.2 Ų29.21%0.00515%0.145CC..Hα-helixtrans-68.5-23.5171.5-62.5-179.3-178.300112V164 F165 S166 I170 L842 W850 Q853V164-M168 HydrophobicContact CG1-CE 4.05Å; V164-M168 WeakPolarHBondContact O-CG 3.28Å; V164-M168 PolarHBondContact O-N 3.15Å; F165-M168 HydrophobicContact CD2-SD 4.29Å; F165-M168 WeakPolarHBondContact O-CB 3.42Å; F165-M168 PolarHBondContact O-N 3.48Å; S166-M168 VanDerWaalsContact C-N 3.26Å; S166-M168 PolarHBondContact O-N 3.35Å; M168-I170 VanDerWaalsContact C-N 3.32Å; M168-I170 HydrophobicContact CB-CD1 3.88Å; M168-I170 HydrophobicContact CB-CG1 3.97Å; M168-I170 PolarHBondContact O-N 3.07Å; M168-I170 HydrophobicContact SD-CD1 4.24Å; M168-L842 HydrophobicContact CB-CD2 4.42Å; M168-L842 HydrophobicContact CE-CD1 3.94Å; M168-L842 HydrophobicContact CG-CD2 4.17Å; M168-L842 HydrophobicContact SD-CD1 4.26Å; M168-L842 HydrophobicContact SD-CD2 4.04Å; M168-W850 HydrophobicContact CB-CH2 4.49Å; M168-W850 HydrophobicContact CE-CZ3 4.16Å; M168-W850 HydrophobicContact CG-CH2 3.68Å; M168-W850 HydrophobicContact CG-CZ3 3.77Å; M168-Q853 HydrophobicContact CE-CB 4.05Å; M168-Q853 HydrophobicContact CE-CG 4.28Å
169G92.6Very high96.5Very high6 Ų631.8 Ų31.86%0.06216%0.163CC..THydrogen-bonded Turntrans69.723.9175.600000114.6S166 K167 V914S166-G169 PolarHBondContact O-N 3.29Å; K167-G169 PolarHBondContact O-N 3.01Å; G169-V914 PolarHBondContact O-N 3.47Å
170I94.6Very high96.2Very high3 Ų333.8 Ų33.82%0.01518%0.18CC..PPolyproline II helixtrans-91132.4-173.2-61173.5000110.3F165 M168 I530 Y841 L842 L845F165-I170 HydrophobicContact CE2-CB 3.94Å; F165-I170 HydrophobicContact CE2-CG2 4.39Å; F165-I170 HydrophobicContact CZ-CB 4.45Å; M168-I170 VanDerWaalsContact C-N 3.32Å; M168-I170 HydrophobicContact CB-CD1 3.88Å; M168-I170 HydrophobicContact CB-CG1 3.97Å; M168-I170 PolarHBondContact O-N 3.07Å; M168-I170 HydrophobicContact SD-CD1 4.24Å; I170-I530 HydrophobicContact CD1-CD1 3.37Å; I170-I530 HydrophobicContact CD1-CG1 3.99Å; I170-Y841 HydrophobicContact CD1-CD1 3.85Å; I170-Y841 HydrophobicContact CD1-CE1 3.67Å; I170-Y841 HydrophobicContact CG1-CE1 4.08Å; I170-L842 HydrophobicContact CD1-CD2 4.13Å; I170-L845 HydrophobicContact CD1-CD1 4.26Å; I170-L845 HydrophobicContact CG1-CD1 4.2Å
171P95.8Very high95.8Very high19 Ų1935.6 Ų35.612%0.12320%0.197CC..PPolyproline II helixtrans-72.7155.817830.4-35.8000113.3D252 S528 R913P171-D252 VanDerWaalsContact CA-OD2 3.3Å; P171-D252 WeakPolarHBondContact CA-OD2 3.45Å; P171-D252 WeakPolarHBondContact CB-OD2 3.4Å; P171-S528 WeakPolarHBondContact O-CB 3.34Å; P171-R913 VanDerWaalsContact CB-NH2 3.32Å
172Q97.8Very high95.4Very high7 Ų742.2 Ų42.23%0.03323%0.232CC..BIsolated β-bridgetrans-72147.2161.9-173.9171.9-155.300108.8L249 D252 L253 F526 Y527Q172-L249 HydrophobicContact CB-CB 4.28Å; Q172-L249 HydrophobicContact CB-CD2 4.04Å; Q172-L249 VanDerWaalsContact NE2-C 3.34Å; Q172-L249 PolarHBondContact NE2-O 3.15Å; Q172-D252 HydrophobicContact CB-CB 4.25Å; Q172-D252 PolarHBondContact N-OD2 2.95Å; Q172-D252 VanDerWaalsContact O-CB 3.27Å; Q172-D252 WeakPolarHBondContact O-CB 3.3Å; Q172-L253 HydrophobicContact CG-CD1 4.35Å; Q172-L253 HydrophobicContact CG-CD2 3.91Å; Q172-L253 HydrophobicContact CG-CG 4.13Å; Q172-F526 HydrophobicContact CB-CD2 4.49Å; Q172-F526 HydrophobicContact CB-CE2 3.66Å; Q172-F526 HydrophobicContact CB-CZ 4.13Å; Q172-F526 HydrophobicContact CG-CD2 3.82Å; Q172-F526 HydrophobicContact CG-CE2 3.47Å; Q172-F526 VanDerWaalsContact CG-CE2 3.47Å; Q172-F526 HydrophobicContact CG-CZ 4.21Å; Q172-F526 VanDerWaalsContact OE1-CD2 3.23Å; Q172-Y527 WeakPolarHBondContact CA-O 3.36Å
173I96.9Very high95.3Very high33 Ų3348.5 Ų48.517%0.16926%0.262CS..  trans-121.2160.1174.866.8168000111P176 L253 Y527 S528 Q532I173-P176 HydrophobicContact CD1-CG 4.03Å; I173-L253 WeakPolarHBondContact O-CD2 3.25Å; I173-Y527 PolarHBondContact N-O 3.46Å; I173-S528 VanDerWaalsContact CD1-C 3.48Å; I173-S528 WeakPolarHBondContact CD1-O 3.46Å; I173-Q532 HydrophobicContact CD1-CG 4.28Å
174R96.7Very high95.3Very high76 Ų7646.6 Ų46.629%0.28725%0.253SS..  trans-59.2144.1168.6-173.9170.4178.1-88.29.7110.1P176 L178 P179 M184R174-P176 VanDerWaalsContact O-CD 3.31Å; R174-P176 WeakPolarHBondContact O-CD 3.43Å; R174-P176 VanDerWaalsContact O-N 3.11Å; R174-L178 HydrophobicContact CG-CD1 4.35Å; R174-L178 VanDerWaalsContact CZ-CB 3.46Å; R174-L178 PolarHBondContact NH1-O 2.94Å; R174-P179 PolarHBondContact NH1-O 3.42Å; R174-P179 PolarHBondContact NH2-O 3.44Å; R174-M184 VanDerWaalsContact NH2-CG 3.34Å; R174-M184 PolarHBondContact NH2-SD 3.18Å
175N96.9Very high95.2Very high15 Ų1549.1 Ų49.18%0.0827%0.27CS..  trans-49.8118.6177.4177.92.9000110.1E177 L178 Y527N175-E177 PolarHBondContact O-N 2.95Å; N175-E177 VanDerWaalsContact O-N 3.14Å; N175-E177 PolarHBondContact OD1-N 3.44Å; N175-L178 HydrophobicContact CB-CD1 3.95Å; N175-L178 HydrophobicContact CB-CG 3.96Å; N175-L178 PolarHBondContact O-N 3.47Å; N175-L178 VanDerWaalsContact O-N 3.17Å; N175-Y527 HydrophobicContact CB-CD2 4.29Å; N175-Y527 HydrophobicContact CB-CE2 4.25Å
176P95.4Very high95.1Very high62 Ų6255.9 Ų55.940%0.40330%0.301SS..THydrogen-bonded Turntrans-60.9-19.2-178.8-25.335.3000114.8I173 R174 Y527 Q532I173-P176 HydrophobicContact CD1-CG 4.03Å; R174-P176 VanDerWaalsContact O-CD 3.31Å; R174-P176 WeakPolarHBondContact O-CD 3.43Å; R174-P176 VanDerWaalsContact O-N 3.11Å; P176-Y527 HydrophobicContact CG-CD1 4.24Å; P176-Y527 HydrophobicContact CG-CG 4.47Å; P176-Q532 HydrophobicContact CG-CG 4.3Å
177E95.2Very high95.2Very high160 Ų16055 Ų5575%0.74830%0.295SS*.THydrogen-bonded Turntrans-85-11.6-179.7-62-180175.600113.6N175N175-E177 PolarHBondContact O-N 2.95Å; N175-E177 VanDerWaalsContact O-N 3.14Å; N175-E177 PolarHBondContact OD1-N 3.44Å
178L95.5Very high95.4Very high39 Ų3952.5 Ų52.520%0.20428%0.283CS..SBendtrans-78.2144.7178.7-72.9176.5000111.4R174 N175 M184 R210R174-L178 HydrophobicContact CG-CD1 4.35Å; R174-L178 VanDerWaalsContact CZ-CB 3.46Å; R174-L178 PolarHBondContact NH1-O 2.94Å; N175-L178 HydrophobicContact CB-CD1 3.95Å; N175-L178 HydrophobicContact CB-CG 3.96Å; N175-L178 PolarHBondContact O-N 3.47Å; N175-L178 VanDerWaalsContact O-N 3.17Å; L178-M184 HydrophobicContact CD2-CE 4.44Å; L178-R210 WeakPolarHBondContact CD1-O 3.34Å
179P95.3Very high95.5Very high64 Ų6455.5 Ų55.542%0.41630%0.297SS..PPolyproline II helixtrans-51.8161.3171.3-24.932.9000112.8R174 E183 M184R174-P179 PolarHBondContact NH1-O 3.42Å; R174-P179 PolarHBondContact NH2-O 3.44Å; P179-E183 HydrophobicContact CB-CB 4.08Å; P179-M184 HydrophobicContact CB-SD 4.07Å; P179-M184 HydrophobicContact CG-SD 4.06Å
180A92.8Very high95.7Very high45 Ų4555.4 Ų55.437%0.37230%0.296SS..PPolyproline II helixtrans-56.8150.5174.800000110.6N182 E183 M184A180-N182 VanDerWaalsContact CB-OD1 3.26Å; A180-N182 WeakPolarHBondContact CB-OD1 3.44Å; A180-N182 PolarHBondContact O-N 2.96Å; A180-N182 VanDerWaalsContact O-N 3.14Å; A180-E183 HydrophobicContact CB-CG 4.11Å; A180-E183 PolarHBondContact N-OE2 3.12Å; A180-E183 WeakPolarHBondContact O-CA 3.27Å; A180-E183 WeakPolarHBondContact O-CB 3.44Å; A180-E183 PolarHBondContact O-N 2.88Å; A180-M184 PolarHBondContact O-N 3.24Å
181A90.1Very high95.9Very high50 Ų5056.7 Ų56.741%0.41330%0.304SS..G310 helixtrans-56.6-36.8-172.100000113E183 M184 H189A181-E183 VanDerWaalsContact C-N 3.25Å; A181-E183 PolarHBondContact O-N 2.95Å; A181-M184 PolarHBondContact O-N 2.88Å; A181-H189 PolarHBondContact O-CE1 3.37Å; A181-H189 VanDerWaalsContact O-CE1 3.24Å; A181-H189 PolarHBondContact O-NE2 3Å
182N91.3Very high96Very high139 Ų13955.8 Ų55.874%0.74330%0.299SS*.G310 helixtrans-74.2-9.7176.464.1-49.8000114.6A180A180-N182 VanDerWaalsContact CB-OD1 3.26Å; A180-N182 WeakPolarHBondContact CB-OD1 3.44Å; A180-N182 PolarHBondContact O-N 2.96Å; A180-N182 VanDerWaalsContact O-N 3.14Å
183E96Very high96.1Very high131 Ų13155.5 Ų55.561%0.61230%0.297SS*.G310 helixtrans-102.5-3.4178-60.7174.1162.400111.9P179 A180 A181P179-E183 HydrophobicContact CB-CB 4.08Å; A180-E183 HydrophobicContact CB-CG 4.11Å; A180-E183 PolarHBondContact N-OE2 3.12Å; A180-E183 WeakPolarHBondContact O-CA 3.27Å; A180-E183 WeakPolarHBondContact O-CB 3.44Å; A180-E183 PolarHBondContact O-N 2.88Å; A181-E183 VanDerWaalsContact C-N 3.25Å; A181-E183 PolarHBondContact O-N 2.95Å
184M97.3Very high96.2Very high15 Ų1553.9 Ų53.97%0.07429%0.289CS..SBendtrans-68.7147176.9-68-65.2-6700110.7R174 L178 P179 A180 A181 Y188R174-M184 VanDerWaalsContact NH2-CG 3.34Å; R174-M184 PolarHBondContact NH2-SD 3.18Å; L178-M184 HydrophobicContact CD2-CE 4.44Å; P179-M184 HydrophobicContact CB-SD 4.07Å; P179-M184 HydrophobicContact CG-SD 4.06Å; A180-M184 PolarHBondContact O-N 3.24Å; A181-M184 PolarHBondContact O-N 2.88Å; M184-Y188 HydrophobicContact CE-CD1 3.44Å; M184-Y188 VanDerWaalsContact CE-CD1 3.44Å; M184-Y188 HydrophobicContact CE-CD2 3.74Å; M184-Y188 HydrophobicContact CE-CE1 3.61Å; M184-Y188 HydrophobicContact CE-CE2 3.91Å; M184-Y188 HydrophobicContact CE-CG 3.49Å; M184-Y188 VanDerWaalsContact CE-CG 3.49Å
185P96.6Very high96.2Very high58 Ų5850.3 Ų50.338%0.37728%0.276SS..  trans-58.5150.7173.1-23.332.6000112.4S187 Y188P185-S187 PolarHBondContact O-N 3.29Å; P185-Y188 HydrophobicContact CB-CD2 3.98Å; P185-Y188 HydrophobicContact CB-CE2 4.24Å; P185-Y188 HydrophobicContact CG-CD2 4.03Å; P185-Y188 HydrophobicContact CG-CE2 3.95Å; P185-Y188 PolarHBondContact O-N 3.42Å
186E96.1Very high96.3Very high144 Ų14449.9 Ų49.967%0.67328%0.275SS*.G310 helixtrans-53.3-30.5-179.4-169-176.9168.200113.2Y188 H189 Y513E186-Y188 PolarHBondContact O-N 3.15Å; E186-Y188 VanDerWaalsContact O-N 3.13Å; E186-H189 PolarHBondContact O-N 2.78Å; E186-Y513 HydrophobicContact CB-CE1 4.43Å; E186-Y513 HydrophobicContact CG-CE1 4.17Å
187S97.3Very high96.4Very high0 Ų047 Ų470%026%0.256CS..G310 helixtrans-55.3-29.1176.563.40000113.7P185 A190 Y213 Q510P185-S187 PolarHBondContact O-N 3.29Å; S187-A190 WeakPolarHBondContact O-CB 3.34Å; S187-Y213 WeakPolarHBondContact O-CE1 3.48Å; S187-Q510 PolarHBondContact OG-NE2 3.02Å; S187-Q510 PolarHBondContact OG-OE1 3.15Å
188Y97.9Very high96.6Very high36 Ų3639.8 Ų39.814%0.14122%0.224CC..G310 helixtrans-82.5-16.8-179.1-69.3-94.9000113.9M184 P185 E186 L211 Y213 D214M184-Y188 HydrophobicContact CE-CD1 3.44Å; M184-Y188 VanDerWaalsContact CE-CD1 3.44Å; M184-Y188 HydrophobicContact CE-CD2 3.74Å; M184-Y188 HydrophobicContact CE-CE1 3.61Å; M184-Y188 HydrophobicContact CE-CE2 3.91Å; M184-Y188 HydrophobicContact CE-CG 3.49Å; M184-Y188 VanDerWaalsContact CE-CG 3.49Å; P185-Y188 HydrophobicContact CB-CD2 3.98Å; P185-Y188 HydrophobicContact CB-CE2 4.24Å; P185-Y188 HydrophobicContact CG-CD2 4.03Å; P185-Y188 HydrophobicContact CG-CE2 3.95Å; P185-Y188 PolarHBondContact O-N 3.42Å; E186-Y188 PolarHBondContact O-N 3.15Å; E186-Y188 VanDerWaalsContact O-N 3.13Å; Y188-L211 VanDerWaalsContact CE1-O 3.22Å; Y188-L211 WeakPolarHBondContact CE1-O 3.26Å; Y188-Y213 HydrophobicContact CD1-CD1 4.27Å; Y188-Y213 HydrophobicContact CD1-CD2 4.43Å; Y188-Y213 HydrophobicContact CD1-CE1 4.26Å; Y188-Y213 HydrophobicContact CD1-CE2 4.44Å; Y188-Y213 HydrophobicContact CD1-CG 4.33Å; Y188-Y213 WeakPolarHBondContact O-CA 3.21Å; Y188-D214 PolarHBondContact O-N 2.94Å
189H97.6Very high96.7Very high63 Ų6338.7 Ų38.729%0.29222%0.22SC..THydrogen-bonded Turntrans-91.6-6.2177.7-58.9-55.7000113.4A181 E186 D214 N215A181-H189 PolarHBondContact O-CE1 3.37Å; A181-H189 VanDerWaalsContact O-CE1 3.24Å; A181-H189 PolarHBondContact O-NE2 3Å; E186-H189 PolarHBondContact O-N 2.78Å; H189-D214 WeakPolarHBondContact CA-OD1 3.32Å; H189-D214 IonicContact CE1-OD2 3.43Å; H189-D214 PolarHBondContact CE1-OD2 3.21Å; H189-D214 IonicContact CG-OD1 2.92Å; H189-D214 VanDerWaalsContact ND1-CG 3.28Å; H189-D214 IonicContact ND1-OD1 2.67Å; H189-D214 PolarHBondContact ND1-OD1 2.73Å; H189-D214 VanDerWaalsContact ND1-OD1 3.12Å; H189-D214 IonicContact ND1-OD2 3.65Å; H189-D214 PolarHBondContact ND1-OD2 3.19Å; H189-N215 WeakPolarHBondContact O-CB 3.3Å; H189-N215 PolarHBondContact O-ND2 2.79Å
190A96.9Very high96.9Very high4 Ų435.9 Ų35.93%0.03320%0.202CC..SBendtrans-62.6134.2-179.900000111.5S187 I192 K279 M509 Y513S187-A190 WeakPolarHBondContact O-CB 3.34Å; A190-I192 PolarHBondContact O-N 3.41Å; A190-K279 HydrophobicContact CB-CB 4.47Å; A190-K279 HydrophobicContact CB-CG 3.96Å; A190-M509 HydrophobicContact CB-CE 3.34Å; A190-Y513 HydrophobicContact CB-CE2 4.14Å; A190-Y513 WeakPolarHBondContact CB-OH 3.3Å
191P98.3Very high97.2Very high31 Ų3133.7 Ų33.720%0.20118%0.184CC..  trans-69.1129.4-175.825.7-33.7000112.4N215 G277 F278 K279P191-N215 WeakPolarHBondContact CA-O 3.41Å; P191-G277 WeakPolarHBondContact CG-O 3.48Å; P191-F278 HydrophobicContact CB-CD1 3.78Å; P191-F278 HydrophobicContact CB-CE1 3.99Å; P191-F278 HydrophobicContact CB-CG 4.45Å; P191-K279 PolarHBondContact O-N 3.12Å
192I98.8Very high97.6Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-119130.2175.8-57.2173.5000109.4A190 L194 L208 Y213 N215 T217 A280 I505 M509A190-I192 PolarHBondContact O-N 3.41Å; I192-L194 HydrophobicContact CG2-CD1 4.23Å; I192-L208 HydrophobicContact CD1-CD1 4.18Å; I192-L208 HydrophobicContact CD1-CD2 4.43Å; I192-L208 HydrophobicContact CG2-CD1 4.1Å; I192-Y213 HydrophobicContact CD1-CD1 3.75Å; I192-Y213 HydrophobicContact CD1-CD2 4.4Å; I192-Y213 HydrophobicContact CD1-CE1 4.21Å; I192-Y213 HydrophobicContact CD1-CG 3.89Å; I192-N215 PolarHBondContact N-O 2.97Å; I192-T217 PolarHBondContact O-N 3.25Å; I192-A280 HydrophobicContact CG2-CB 4.46Å; I192-I505 HydrophobicContact CD1-CG2 4.44Å; I192-M509 HydrophobicContact CD1-CE 4.03Å; I192-M509 HydrophobicContact CD1-CG 4.49Å; I192-M509 HydrophobicContact CG1-CE 3.84Å; I192-M509 HydrophobicContact CG1-SD 4.37Å
193A98.7Very high98Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-106.514017600000111T217 F219 L273 F278 A280 V281 F282A193-T217 CarbonylContact C-O 2.95Å; A193-T217 WeakPolarHBondContact CA-O 3.5Å; A193-F219 HydrophobicContact CB-CD2 4.25Å; A193-F219 HydrophobicContact CB-CE2 3.93Å; A193-L273 HydrophobicContact CB-CD1 4.4Å; A193-L273 HydrophobicContact CB-CD2 4.44Å; A193-F278 HydrophobicContact CB-CD1 3.47Å; A193-F278 VanDerWaalsContact CB-CD1 3.47Å; A193-F278 HydrophobicContact CB-CD2 4.45Å; A193-F278 HydrophobicContact CB-CE1 3.66Å; A193-F278 HydrophobicContact CB-CG 3.91Å; A193-F278 HydrophobicContact CB-CZ 4.24Å; A193-A280 PolarHBondContact N-O 3.06Å; A193-V281 HydrophobicContact CB-CG2 4.17Å; A193-V281 CarbonylContact O-C 3.56Å; A193-V281 VanDerWaalsContact O-CA 3.23Å; A193-V281 WeakPolarHBondContact O-CA 3.47Å; A193-F282 PolarHBondContact O-N 2.97Å
194L98.8Very high98.1Very high0 Ų018.6 Ų18.60%010%0.1CC..EExtended strand (participates in β ladder)trans-124139.5167.6-57.989.9000108.7I192 S201 C204 A205 I216 T217 I218 F219 F282I192-L194 HydrophobicContact CG2-CD1 4.23Å; L194-S201 WeakPolarHBondContact CD2-O 3.41Å; L194-C204 HydrophobicContact CD2-CB 3.72Å; L194-A205 HydrophobicContact CD1-CB 4.17Å; L194-A205 HydrophobicContact CD2-CB 3.95Å; L194-I216 HydrophobicContact CD1-CG2 3.28Å; L194-T217 PolarHBondContact N-O 3.01Å; L194-I218 HydrophobicContact CB-CG1 4.16Å; L194-I218 HydrophobicContact CB-CG2 4.43Å; L194-I218 HydrophobicContact CD1-CG1 4.29Å; L194-I218 CarbonylContact O-C 3.59Å; L194-I218 WeakPolarHBondContact O-CA 3.35Å; L194-F219 PolarHBondContact O-N 2.67Å; L194-F282 CarbonylContact C-O 3.55Å; L194-F282 VanDerWaalsContact CA-O 3.3Å; L194-F282 WeakPolarHBondContact CA-O 3.36Å; L194-F282 HydrophobicContact CB-CB 4.38Å; L194-F282 HydrophobicContact CD2-CB 4Å; L194-F282 HydrophobicContact CD2-CD1 3.94Å; L194-F282 HydrophobicContact CD2-CG 4.25Å; L194-F282 HydrophobicContact CG-CB 3.92Å
195I98.4Very high98.2Very high1 Ų117.9 Ų17.91%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-111.3123.7-177.1-44.1-58.6000109.4F219 L263 M268 L273 V281 F282 G284 I285I195-F219 HydrophobicContact CD1-CB 4.25Å; I195-F219 HydrophobicContact CD1-CD2 4Å; I195-L263 HydrophobicContact CB-CD1 4.37Å; I195-L263 HydrophobicContact CB-CG 4.48Å; I195-L263 HydrophobicContact CG1-CD1 4.28Å; I195-L263 HydrophobicContact CG1-CG 4.23Å; I195-L263 HydrophobicContact CG2-CB 4.41Å; I195-L263 HydrophobicContact CG2-CD1 3.98Å; I195-L263 HydrophobicContact CG2-CG 3.79Å; I195-M268 HydrophobicContact CD1-SD 4.47Å; I195-L273 HydrophobicContact CD1-CD1 3.78Å; I195-V281 HydrophobicContact CG1-CG1 4.1Å; I195-F282 PolarHBondContact N-O 3.41Å; I195-G284 CarbonylContact O-C 3.46Å; I195-G284 WeakPolarHBondContact O-CA 3.3Å; I195-G284 PolarHBondContact O-N 2.92Å; I195-I285 HydrophobicContact CB-CG2 3.91Å; I195-I285 HydrophobicContact CG2-CG2 3.39Å; I195-I285 WeakPolarHBondContact O-CG2 3.46Å; I195-I285 PolarHBondContact O-N 3.21Å
196G98.1Very high98.3Very high6 Ų615.2 Ų15.26%0.0628%0.079CC..SBendtrans85.8128.9-17200000111.6G198 S201 I218 F219G196-G198 VanDerWaalsContact C-N 3.33Å; G196-G198 PolarHBondContact O-N 3.07Å; G196-S201 WeakPolarHBondContact O-CB 3.31Å; G196-S201 PolarHBondContact O-OG 2.87Å; G196-I218 WeakPolarHBondContact O-CG2 3.28Å; G196-F219 PolarHBondContact N-O 2.86Å
197C98.2Very high98.4Very high0 Ų08.4 Ų8.40%05%0.048CC..  trans-97.548.8177.1-169.50000111.2I218 E220 I225 G226 G227 V257C197-I218 HydrophobicContact CB-CG2 3.75Å; C197-E220 HydrophobicContact CB-CB 3.8Å; C197-E220 HydrophobicContact CB-CG 4.05Å; C197-E220 PolarHBondContact N-OE2 2.89Å; C197-I225 HydrophobicContact CB-CB 4.46Å; C197-I225 HydrophobicContact CB-CG2 4.29Å; C197-G226 CarbonylContact O-C 3.55Å; C197-G226 VanDerWaalsContact O-C 3.31Å; C197-G226 WeakPolarHBondContact O-CA 3.45Å; C197-G226 PolarHBondContact O-N 3.34Å; C197-G227 PolarHBondContact O-N 2.83Å; C197-V257 HydrophobicContact CB-CG1 4.31Å
198G98.3Very high98.5Very high9 Ų98.4 Ų8.49%0.0935%0.048CC..SBendtrans-95.6-178.9171.900000113.3G196 A200 S201 I202G196-G198 VanDerWaalsContact C-N 3.33Å; G196-G198 PolarHBondContact O-N 3.07Å; G198-A200 VanDerWaalsContact C-N 3.3Å; G198-A200 PolarHBondContact O-N 3.35Å; G198-S201 PolarHBondContact O-N 3.47Å; G198-I202 VanDerWaalsContact O-CG1 3.31Å; G198-I202 WeakPolarHBondContact O-CG1 3.31Å; G198-I202 PolarHBondContact O-N 2.86Å
199P98.8Very high98.6Very high16 Ų167 Ų710%0.1044%0.043CC..Hα-helixtrans-48.5-43.6-177.2-32.837.7000115.5L124 S203 T491 V495L124-P199 HydrophobicContact CD2-CB 3.78Å; L124-P199 HydrophobicContact CD2-CG 4.04Å; P199-S203 WeakPolarHBondContact O-CB 3.31Å; P199-S203 PolarHBondContact O-N 3.32Å; P199-T491 HydrophobicContact CB-CG2 3.98Å; P199-T491 HydrophobicContact CG-CG2 3.86Å; P199-V495 HydrophobicContact CB-CG2 4.1Å
200A98.8Very high98.6Very high5 Ų54.2 Ų4.24%0.0413%0.03CC..Hα-helixtrans-64.1-47.9-178.400000112.6G198 S203 C204 F282 S494 G498G198-A200 VanDerWaalsContact C-N 3.3Å; G198-A200 PolarHBondContact O-N 3.35Å; A200-S203 PolarHBondContact O-N 2.64Å; A200-C204 WeakPolarHBondContact O-CB 3.24Å; A200-C204 PolarHBondContact O-N 3.42Å; A200-F282 HydrophobicContact CB-CE1 3.94Å; A200-F282 HydrophobicContact CB-CZ 3.94Å; A200-S494 VanDerWaalsContact CA-O 3.22Å; A200-S494 WeakPolarHBondContact CA-O 3.15Å; A200-S494 WeakPolarHBondContact CB-O 2.91Å; A200-G498 WeakPolarHBondContact O-CA 3.3Å
201S98.9Very high98.7Very high0 Ų04.6 Ų4.60%03%0.032CC..Hα-helixtrans-70.8-36.7178.8-59.90000112.5L194 G196 G198 S203 C204 A205L194-S201 WeakPolarHBondContact CD2-O 3.41Å; G196-S201 WeakPolarHBondContact O-CB 3.31Å; G196-S201 PolarHBondContact O-OG 2.87Å; G198-S201 PolarHBondContact O-N 3.47Å; S201-S203 VanDerWaalsContact C-N 3.3Å; S201-S203 PolarHBondContact O-N 2.95Å; S201-C204 PolarHBondContact O-N 3.12Å; S201-A205 VanDerWaalsContact O-CB 3.23Å; S201-A205 WeakPolarHBondContact O-CB 3.42Å; S201-A205 PolarHBondContact O-N 3.45Å
202I98.9Very high98.7Very high2 Ų23.4 Ų3.41%0.013%0.025CC..Hα-helixtrans-60.9-44.4175.3-65.6163.5000109.7L124 G198 S206 I247 M250L124-I202 HydrophobicContact CD1-CB 3.99Å; L124-I202 HydrophobicContact CD1-CG2 3.5Å; L124-I202 VanDerWaalsContact CD1-CG2 3.5Å; L124-I202 HydrophobicContact CG-CG2 4.44Å; G198-I202 VanDerWaalsContact O-CG1 3.31Å; G198-I202 WeakPolarHBondContact O-CG1 3.31Å; G198-I202 PolarHBondContact O-N 2.86Å; I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.49Å; I202-S206 PolarHBondContact O-N 3.25Å; I202-S206 PolarHBondContact O-OG 3.12Å; I202-I247 HydrophobicContact CD1-CD1 4Å; I202-I247 HydrophobicContact CD1-CG1 3.76Å; I202-I247 HydrophobicContact CG1-CG1 4.38Å; I202-M250 HydrophobicContact CB-SD 4.21Å; I202-M250 HydrophobicContact CG1-SD 4.35Å; I202-M250 HydrophobicContact CG2-SD 3.89Å
203S98.9Very high98.7Very high0 Ų03.5 Ų3.50%03%0.025CC..Hα-helixtrans-61.9-53.5175.3-177.10000111.9P199 A200 S201 A205 S206 F207 V495 K499P199-S203 WeakPolarHBondContact O-CB 3.31Å; P199-S203 PolarHBondContact O-N 3.32Å; A200-S203 PolarHBondContact O-N 2.64Å; S201-S203 VanDerWaalsContact C-N 3.3Å; S201-S203 PolarHBondContact O-N 2.95Å; S203-A205 PolarHBondContact O-N 2.9Å; S203-S206 WeakPolarHBondContact O-CB 3.44Å; S203-S206 PolarHBondContact O-N 3.24Å; S203-S206 VanDerWaalsContact O-N 3.15Å; S203-F207 VanDerWaalsContact O-CD2 3.29Å; S203-F207 WeakPolarHBondContact O-CD2 3.2Å; S203-F207 PolarHBondContact O-N 3.49Å; S203-V495 VanDerWaalsContact CB-O 3.25Å; S203-V495 WeakPolarHBondContact CB-O 3.46Å; S203-V495 WeakPolarHBondContact OG-CG1 3.39Å; S203-V495 PolarHBondContact OG-O 2.91Å; S203-K499 PolarHBondContact OG-N 3.03Å
204C98.9Very high98.6Very high0 Ų06.7 Ų6.70%04%0.042CC..Hα-helixtrans-56.7-49.1-179.1-175.90000111.9L194 A200 S201 S206 F207 L208 F282 G498 I505L194-C204 HydrophobicContact CD2-CB 3.72Å; A200-C204 WeakPolarHBondContact O-CB 3.24Å; A200-C204 PolarHBondContact O-N 3.42Å; S201-C204 PolarHBondContact O-N 3.12Å; C204-S206 PolarHBondContact O-N 3.31Å; C204-F207 PolarHBondContact O-N 3.16Å; C204-L208 WeakPolarHBondContact O-CB 3.29Å; C204-L208 VanDerWaalsContact O-CG 3.29Å; C204-L208 WeakPolarHBondContact O-CG 3.11Å; C204-L208 PolarHBondContact O-N 3.41Å; C204-F282 HydrophobicContact CB-CD1 4.19Å; C204-F282 HydrophobicContact CB-CD2 4.44Å; C204-F282 HydrophobicContact CB-CE1 4.25Å; C204-F282 HydrophobicContact CB-CG 4.28Å; C204-F282 HydrophobicContact CB-CZ 4.41Å; C204-G498 WeakPolarHBondContact CA-O 3.48Å; C204-G498 WeakPolarHBondContact CB-O 3.38Å; C204-I505 VanDerWaalsContact SG-CD1 3.6Å
205A98.9Very high98.6Very high0 Ų09 Ų90%06%0.055CC..Hα-helixtrans-62.9-40.6177.600000112.3L194 S201 S203 L208 A209 I216 I218 M250 V255L194-A205 HydrophobicContact CD1-CB 4.17Å; L194-A205 HydrophobicContact CD2-CB 3.95Å; S201-A205 VanDerWaalsContact O-CB 3.23Å; S201-A205 WeakPolarHBondContact O-CB 3.42Å; S201-A205 PolarHBondContact O-N 3.45Å; S203-A205 PolarHBondContact O-N 2.9Å; A205-L208 PolarHBondContact O-N 3.21Å; A205-A209 VanDerWaalsContact O-CB 3.27Å; A205-A209 WeakPolarHBondContact O-CB 3.35Å; A205-A209 PolarHBondContact O-N 2.84Å; A205-I216 HydrophobicContact CB-CG2 3.97Å; A205-I218 HydrophobicContact CB-CD1 3.87Å; A205-I218 HydrophobicContact CB-CG1 4.3Å; A205-M250 HydrophobicContact CB-SD 3.95Å; A205-V255 HydrophobicContact CB-CG1 3.85Å; A205-V255 HydrophobicContact CB-CG2 4.14Å
206S98.9Very high98.6Very high2 Ų29 Ų91%0.0146%0.055CC..Hα-helixtrans-60.4-48.4177.5-62.90000111.7I202 S203 C204 A209 R210 M250I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.49Å; I202-S206 PolarHBondContact O-N 3.25Å; I202-S206 PolarHBondContact O-OG 3.12Å; S203-S206 WeakPolarHBondContact O-CB 3.44Å; S203-S206 PolarHBondContact O-N 3.24Å; S203-S206 VanDerWaalsContact O-N 3.15Å; C204-S206 PolarHBondContact O-N 3.31Å; S206-A209 PolarHBondContact O-N 2.7Å; S206-R210 VanDerWaalsContact O-CG 3.29Å; S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 3.35Å; S206-M250 WeakPolarHBondContact OG-CG 3.34Å
207F98.9Very high98.6Very high2 Ų29.5 Ų9.51%0.0096%0.056CC..Hα-helixtrans-70.3-36.5-179.9-77.4-71.6000113S120 P123 S203 C204 R210 L211 K499 S502 L523S120-F207 WeakPolarHBondContact O-CE1 3.29Å; P123-F207 HydrophobicContact CG-CD2 4.04Å; P123-F207 HydrophobicContact CG-CE2 3.48Å; P123-F207 VanDerWaalsContact CG-CE2 3.48Å; P123-F207 HydrophobicContact CG-CZ 3.97Å; S203-F207 VanDerWaalsContact O-CD2 3.29Å; S203-F207 WeakPolarHBondContact O-CD2 3.2Å; S203-F207 PolarHBondContact O-N 3.49Å; C204-F207 PolarHBondContact O-N 3.16Å; F207-R210 PolarHBondContact O-N 3.5Å; F207-L211 WeakPolarHBondContact O-CG 3.04Å; F207-L211 PolarHBondContact O-N 3.26Å; F207-K499 HydrophobicContact CD2-CB 3.85Å; F207-K499 HydrophobicContact CD2-CG 3.91Å; F207-K499 HydrophobicContact CE1-CG 4.35Å; F207-K499 HydrophobicContact CE2-CB 3.61Å; F207-K499 HydrophobicContact CE2-CD 3.92Å; F207-K499 HydrophobicContact CE2-CG 3.53Å; F207-K499 HydrophobicContact CG-CG 4.48Å; F207-K499 HydrophobicContact CZ-CB 4.36Å; F207-K499 HydrophobicContact CZ-CD 3.83Å; F207-K499 HydrophobicContact CZ-CG 3.78Å; F207-S502 WeakPolarHBondContact CB-OG 3.28Å; F207-L523 HydrophobicContact CB-CD2 4.34Å; F207-L523 HydrophobicContact CD1-CB 4.14Å; F207-L523 HydrophobicContact CD1-CD1 4.07Å; F207-L523 HydrophobicContact CD1-CD2 4.36Å; F207-L523 HydrophobicContact CD1-CG 4.44Å; F207-L523 HydrophobicContact CE1-CB 4.4Å; F207-L523 HydrophobicContact CE1-CD1 4.37Å; F207-L523 HydrophobicContact CG-CD1 4.4Å
208L98.9Very high98.7Very high0 Ų09.5 Ų9.50%06%0.056CC..Hα-helixtrans-61.3-44.5170.9-72.1171.1000111.3I192 C204 A205 R210 L211 G212 Y213 I216 S502 I505I192-L208 HydrophobicContact CD1-CD1 4.18Å; I192-L208 HydrophobicContact CD1-CD2 4.43Å; I192-L208 HydrophobicContact CG2-CD1 4.1Å; C204-L208 WeakPolarHBondContact O-CB 3.29Å; C204-L208 VanDerWaalsContact O-CG 3.29Å; C204-L208 WeakPolarHBondContact O-CG 3.11Å; C204-L208 PolarHBondContact O-N 3.41Å; A205-L208 PolarHBondContact O-N 3.21Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 3.22Å; L208-L211 WeakPolarHBondContact O-CB 3.46Å; L208-L211 PolarHBondContact O-N 2.95Å; L208-G212 PolarHBondContact O-N 3.43Å; L208-Y213 HydrophobicContact CB-CD2 4.14Å; L208-Y213 HydrophobicContact CD2-CD2 3.85Å; L208-Y213 HydrophobicContact CD2-CE2 3.89Å; L208-Y213 WeakPolarHBondContact O-CD2 3.21Å; L208-Y213 PolarHBondContact O-N 3.47Å; L208-I216 HydrophobicContact CB-CD1 3.71Å; L208-S502 WeakPolarHBondContact CD2-O 3.32Å; L208-I505 HydrophobicContact CD1-CD1 4.37Å; L208-I505 HydrophobicContact CD1-CG2 4.14Å; L208-I505 HydrophobicContact CD2-CB 4.12Å; L208-I505 HydrophobicContact CD2-CG2 3.73Å
209A98.8Very high98.7Very high5 Ų59.6 Ų9.64%0.0415%0.054CC..Hα-helixtrans-65-38178.200000111.8A205 S206 L211 G212 I216 L253 V255A205-A209 VanDerWaalsContact O-CB 3.27Å; A205-A209 WeakPolarHBondContact O-CB 3.35Å; A205-A209 PolarHBondContact O-N 2.84Å; S206-A209 PolarHBondContact O-N 2.7Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L211 PolarHBondContact O-N 3.29Å; A209-G212 WeakPolarHBondContact O-CA 3.47Å; A209-G212 PolarHBondContact O-N 3.44Å; A209-I216 HydrophobicContact CB-CD1 3.81Å; A209-L253 HydrophobicContact CB-CB 3.57Å; A209-L253 HydrophobicContact CB-CD1 3.85Å; A209-L253 HydrophobicContact CB-CG 4.37Å; A209-V255 HydrophobicContact CB-CG2 3.82Å
210R98.7Very high98.6Very high6 Ų69.6 Ų9.62%0.0235%0.053CC..Hα-helixtrans-61.9-37173-75.5178.8-172.11778.3113.2L119 S120 L178 S206 F207 L208 G212 L253 P524L119-R210 PolarHBondContact O-NH1 3.42Å; L119-R210 PolarHBondContact O-NH2 2.96Å; S120-R210 PolarHBondContact O-NH1 3.45Å; L178-R210 WeakPolarHBondContact CD1-O 3.34Å; S206-R210 VanDerWaalsContact O-CG 3.29Å; S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 3.35Å; F207-R210 PolarHBondContact O-N 3.5Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 3.22Å; R210-G212 PolarHBondContact O-N 3.16Å; R210-L253 HydrophobicContact CG-CD1 3.83Å; R210-P524 HydrophobicContact CB-CB 4.15Å; R210-P524 HydrophobicContact CB-CG 4.26Å
211L98.4Very high98.5Very high12 Ų1214 Ų146%0.0637%0.071CC..Hα-helixtrans-67.1-18.2173.6-75.4164.1000112.6Y188 F207 L208 A209 Y213 H506 L523 P524Y188-L211 VanDerWaalsContact CE1-O 3.22Å; Y188-L211 WeakPolarHBondContact CE1-O 3.26Å; F207-L211 WeakPolarHBondContact O-CG 3.04Å; F207-L211 PolarHBondContact O-N 3.26Å; L208-L211 WeakPolarHBondContact O-CB 3.46Å; L208-L211 PolarHBondContact O-N 2.95Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L211 PolarHBondContact O-N 3.29Å; L211-Y213 HydrophobicContact CB-CD2 4.22Å; L211-Y213 HydrophobicContact CB-CE2 4.29Å; L211-H506 HydrophobicContact CD1-CB 3.68Å; L211-L523 HydrophobicContact CD1-CD2 3.93Å; L211-L523 HydrophobicContact CG-CD2 4.37Å; L211-P524 HydrophobicContact CD2-CG 4.02Å; L211-P524 HydrophobicContact CG-CG 4.31Å
212G98Very high98.4Very high5 Ų517.7 Ų17.75%0.0529%0.088CC..THydrogen-bonded Turntrans114.54.3173.700000115.2L208 A209 R210 D214L208-G212 PolarHBondContact O-N 3.43Å; A209-G212 WeakPolarHBondContact O-CA 3.47Å; A209-G212 PolarHBondContact O-N 3.44Å; R210-G212 PolarHBondContact O-N 3.16Å; G212-D214 PolarHBondContact O-N 3.17Å
213Y98.6Very high98.1Very high3 Ų324.3 Ų24.31%0.01212%0.117CC..  trans-69126.5174.7-67.1-81.1000110.2S187 Y188 I192 L208 L211 I216 H506 M509 Q510S187-Y213 WeakPolarHBondContact O-CE1 3.48Å; Y188-Y213 HydrophobicContact CD1-CD1 4.27Å; Y188-Y213 HydrophobicContact CD1-CD2 4.43Å; Y188-Y213 HydrophobicContact CD1-CE1 4.26Å; Y188-Y213 HydrophobicContact CD1-CE2 4.44Å; Y188-Y213 HydrophobicContact CD1-CG 4.33Å; Y188-Y213 WeakPolarHBondContact O-CA 3.21Å; I192-Y213 HydrophobicContact CD1-CD1 3.75Å; I192-Y213 HydrophobicContact CD1-CD2 4.4Å; I192-Y213 HydrophobicContact CD1-CE1 4.21Å; I192-Y213 HydrophobicContact CD1-CG 3.89Å; L208-Y213 HydrophobicContact CB-CD2 4.14Å; L208-Y213 HydrophobicContact CD2-CD2 3.85Å; L208-Y213 HydrophobicContact CD2-CE2 3.89Å; L208-Y213 WeakPolarHBondContact O-CD2 3.21Å; L208-Y213 PolarHBondContact O-N 3.47Å; L211-Y213 HydrophobicContact CB-CD2 4.22Å; L211-Y213 HydrophobicContact CB-CE2 4.29Å; Y213-I216 WeakPolarHBondContact O-CD1 3.03Å; Y213-H506 HydrophobicContact CE2-CB 4.02Å; Y213-H506 AromaticContact CE2-ND1 3.57Å; Y213-H506 AromaticContact CZ-ND1 3.69Å; Y213-H506 WeakPolarHBondContact OH-CA 3.37Å; Y213-H506 PolarHBondContact OH-ND1 3.41Å; Y213-H506 PolarHBondContact OH-O 3.01Å; Y213-M509 HydrophobicContact CE1-CB 4.07Å; Y213-M509 HydrophobicContact CE1-CE 4.1Å; Y213-M509 HydrophobicContact CE1-CG 4.37Å; Y213-M509 VanDerWaalsContact OH-CB 3.3Å; Y213-M509 WeakPolarHBondContact OH-CB 3.34Å; Y213-Q510 PolarHBondContact OH-NE2 3.32Å
214D97.4Very high97.9Very high67 Ų6726.2 Ų26.236%0.35812%0.124SC..  trans-109.5-6.7-173.467.20.9000114.4Y188 H189 G212Y188-D214 PolarHBondContact O-N 2.94Å; H189-D214 WeakPolarHBondContact CA-OD1 3.32Å; H189-D214 IonicContact CE1-OD2 3.43Å; H189-D214 PolarHBondContact CE1-OD2 3.21Å; H189-D214 IonicContact CG-OD1 2.92Å; H189-D214 VanDerWaalsContact ND1-CG 3.28Å; H189-D214 IonicContact ND1-OD1 2.67Å; H189-D214 PolarHBondContact ND1-OD1 2.73Å; H189-D214 VanDerWaalsContact ND1-OD1 3.12Å; H189-D214 IonicContact ND1-OD2 3.65Å; H189-D214 PolarHBondContact ND1-OD2 3.19Å; G212-D214 PolarHBondContact O-N 3.17Å
215N98.3Very high97.8Very high49 Ų4927 Ų2726%0.26213%0.128SC..  trans-114.260.8-178.9-162.56.5000112.5H189 P191 I192H189-N215 WeakPolarHBondContact O-CB 3.3Å; H189-N215 PolarHBondContact O-ND2 2.79Å; P191-N215 WeakPolarHBondContact CA-O 3.41Å; I192-N215 PolarHBondContact N-O 2.97Å
216I98.8Very high97.7Very high1 Ų127 Ų271%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-107.1126.6-177.9-54.3167.4000109.6L194 A205 L208 A209 Y213 V255 K256L194-I216 HydrophobicContact CD1-CG2 3.28Å; A205-I216 HydrophobicContact CB-CG2 3.97Å; L208-I216 HydrophobicContact CB-CD1 3.71Å; A209-I216 HydrophobicContact CB-CD1 3.81Å; Y213-I216 WeakPolarHBondContact O-CD1 3.03Å; I216-V255 HydrophobicContact CB-CG2 4.45Å; I216-V255 HydrophobicContact CD1-CG2 4.3Å; I216-V255 HydrophobicContact CG2-CG1 4.12Å; I216-K256 PolarHBondContact O-N 2.79Å
217T98.8Very high97.6Very high15 Ų1527.7 Ų27.79%0.09214%0.136CC..EExtended strand (participates in β ladder)trans-127.7124.3176.3-54.50000111.5I192 A193 L194 F219 K256 V258I192-T217 PolarHBondContact O-N 3.25Å; A193-T217 CarbonylContact C-O 2.95Å; A193-T217 WeakPolarHBondContact CA-O 3.5Å; L194-T217 PolarHBondContact N-O 3.01Å; T217-F219 HydrophobicContact CG2-CD1 4.3Å; T217-F219 HydrophobicContact CG2-CD2 4.45Å; T217-F219 HydrophobicContact CG2-CE1 3.81Å; T217-F219 HydrophobicContact CG2-CE2 3.98Å; T217-F219 HydrophobicContact CG2-CZ 3.64Å; T217-K256 CarbonylContact C-O 3.56Å; T217-K256 WeakPolarHBondContact CA-O 3.33Å; T217-K256 HydrophobicContact CG2-CB 4.35Å; T217-V258 HydrophobicContact CG2-CG2 3.82Å
218I98.8Very high97.6Very high0 Ų030.6 Ų30.60%015%0.151CC..EExtended strand (participates in β ladder)trans-93.8125.9169.9-49.4-172.7000109.1L194 G196 C197 A205 M250 V255 K256 V257 V258L194-I218 HydrophobicContact CB-CG1 4.16Å; L194-I218 HydrophobicContact CB-CG2 4.43Å; L194-I218 HydrophobicContact CD1-CG1 4.29Å; L194-I218 CarbonylContact O-C 3.59Å; L194-I218 WeakPolarHBondContact O-CA 3.35Å; G196-I218 WeakPolarHBondContact O-CG2 3.28Å; C197-I218 HydrophobicContact CB-CG2 3.75Å; A205-I218 HydrophobicContact CB-CD1 3.87Å; A205-I218 HydrophobicContact CB-CG1 4.3Å; I218-M250 HydrophobicContact CD1-CE 3.83Å; I218-M250 HydrophobicContact CD1-SD 3.75Å; I218-V255 HydrophobicContact CD1-CG1 4.04Å; I218-V255 HydrophobicContact CG1-CG1 3.97Å; I218-K256 PolarHBondContact N-O 2.98Å; I218-V257 HydrophobicContact CB-CG1 4.44Å; I218-V257 HydrophobicContact CB-CG2 4.3Å; I218-V257 HydrophobicContact CD1-CG2 4.48Å; I218-V257 CarbonylContact O-C 3.56Å; I218-V257 WeakPolarHBondContact O-CA 3.4Å; I218-V258 PolarHBondContact O-N 2.93Å
219F98.6Very high97.6Very high12 Ų1230.7 Ų30.75%0.05315%0.152CC..EExtended strand (participates in β ladder)trans-101.1115.7173.3-62.5-74.6000109.8A193 L194 I195 G196 T217 V258 K261 M268 L273 F278A193-F219 HydrophobicContact CB-CD2 4.25Å; A193-F219 HydrophobicContact CB-CE2 3.93Å; L194-F219 PolarHBondContact O-N 2.67Å; I195-F219 HydrophobicContact CD1-CB 4.25Å; I195-F219 HydrophobicContact CD1-CD2 4Å; G196-F219 PolarHBondContact N-O 2.86Å; T217-F219 HydrophobicContact CG2-CD1 4.3Å; T217-F219 HydrophobicContact CG2-CD2 4.45Å; T217-F219 HydrophobicContact CG2-CE1 3.81Å; T217-F219 HydrophobicContact CG2-CE2 3.98Å; T217-F219 HydrophobicContact CG2-CZ 3.64Å; F219-V258 WeakPolarHBondContact CA-O 3.26Å; F219-V258 HydrophobicContact CD1-CB 3.94Å; F219-V258 HydrophobicContact CD1-CG1 4.37Å; F219-V258 HydrophobicContact CE1-CB 4.2Å; F219-V258 HydrophobicContact CE1-CG2 4.36Å; F219-K261 CarbonylContact C-O 3.04Å; F219-K261 HydrophobicContact CB-CB 4.16Å; F219-K261 HydrophobicContact CD1-CB 3.88Å; F219-K261 HydrophobicContact CD1-CD 3.86Å; F219-K261 HydrophobicContact CE1-CD 4.06Å; F219-K261 HydrophobicContact CG-CB 4.45Å; F219-M268 HydrophobicContact CB-CE 4.48Å; F219-M268 HydrophobicContact CB-SD 4.31Å; F219-M268 HydrophobicContact CD1-CE 3.88Å; F219-M268 HydrophobicContact CD2-CE 4.41Å; F219-M268 HydrophobicContact CE1-CE 4.16Å; F219-M268 HydrophobicContact CG-CE 4Å; F219-M268 HydrophobicContact CG-SD 4.31Å; F219-L273 HydrophobicContact CE2-CD2 4.12Å; F219-F278 HydrophobicContact CE2-CE1 4.44Å; F219-F278 HydrophobicContact CE2-CE2 4.39Å; F219-F278 AromaticContact CE2-CZ 3.89Å; F219-F278 HydrophobicContact CE2-CZ 3.89Å; F219-F278 HydrophobicContact CZ-CE2 4.42Å; F219-F278 AromaticContact CZ-CZ 3.92Å; F219-F278 HydrophobicContact CZ-CZ 3.92Å
220E97.9Very high97.5Very high16 Ų1630.4 Ų30.48%0.07515%0.15CC..  trans-108.7129.1-179173.745.5-118.200111C197 Q222 Y224 V258 C259 E260 K261C197-E220 HydrophobicContact CB-CB 3.8Å; C197-E220 HydrophobicContact CB-CG 4.05Å; C197-E220 PolarHBondContact N-OE2 2.89Å; E220-Q222 VanDerWaalsContact C-N 3.32Å; E220-Q222 HydrophobicContact CG-CB 4.45Å; E220-Q222 PolarHBondContact O-N 2.78Å; E220-Q222 WeakPolarHBondContact OE1-CB 3.38Å; E220-Q222 WeakPolarHBondContact OE1-CG 3.36Å; E220-Q222 PolarHBondContact OE1-N 3.18Å; E220-Y224 WeakPolarHBondContact CG-O 3.18Å; E220-V258 PolarHBondContact N-O 2.87Å; E220-C259 CarbonylContact O-C 3.55Å; E220-C259 WeakPolarHBondContact O-CA 3.39Å; E220-E260 PolarHBondContact O-N 3.44Å; E220-K261 CarbonylContact C-O 3.59Å; E220-K261 WeakPolarHBondContact CA-O 3.3Å; E220-K261 PolarHBondContact N-O 2.92Å; E220-K261 VanDerWaalsContact N-O 3.1Å; E220-K261 PolarHBondContact O-N 3.33Å
221K96.9Very high97.4Very high97 Ų9730.4 Ų30.442%0.42215%0.151SC..SBendtrans-63.9-38.4-178.3173.9176.1177.7175.30111.9E260 K261 V265K221-E260 WeakPolarHBondContact O-CA 3.43Å; K221-K261 PolarHBondContact N-O 2.57Å; K221-V265 HydrophobicContact CG-CG2 4.21Å
222Q95.4Very high97.4Very high78 Ų7830.6 Ų30.636%0.36415%0.152SC..SBendtrans-87.6173.2-173.8-57.2-63.7-15.400111.9E220 Y224 C259 E260E220-Q222 VanDerWaalsContact C-N 3.32Å; E220-Q222 HydrophobicContact CG-CB 4.45Å; E220-Q222 PolarHBondContact O-N 2.78Å; E220-Q222 WeakPolarHBondContact OE1-CB 3.38Å; E220-Q222 WeakPolarHBondContact OE1-CG 3.36Å; E220-Q222 PolarHBondContact OE1-N 3.18Å; Q222-Y224 VanDerWaalsContact C-N 3.28Å; Q222-Y224 HydrophobicContact CB-CD1 3.94Å; Q222-Y224 HydrophobicContact CB-CD2 4.31Å; Q222-Y224 HydrophobicContact CB-CE1 3.72Å; Q222-Y224 HydrophobicContact CB-CE2 4.09Å; Q222-Y224 HydrophobicContact CB-CG 4.23Å; Q222-Y224 HydrophobicContact CG-CE1 3.97Å; Q222-Y224 HydrophobicContact CG-CE2 4.19Å; Q222-C259 VanDerWaalsContact O-CB 3.3Å; Q222-C259 WeakPolarHBondContact O-CB 3.43Å; Q222-E260 PolarHBondContact O-N 3.04Å
223K94.2Very high97.4Very high141 Ų14131.3 Ų31.361%0.61315%0.154SC*.SBendtrans-80.3-10.7172.7-69.8179.7174.6179.40113.5E260K223-E260 VanDerWaalsContact CE-CD 3.49Å; K223-E260 WeakPolarHBondContact CE-OE1 3.35Å; K223-E260 HydrophobicContact CG-CG 3.75Å; K223-E260 IonicContact NZ-OE1 3.16Å
224Y94.5Very high97.4Very high39 Ų3931.3 Ų31.315%0.15315%0.154CC..SBendtrans-117.1162.3-179.460.9-101000110.4E220 Q222 T230 S231 M323E220-Y224 WeakPolarHBondContact CG-O 3.18Å; Q222-Y224 VanDerWaalsContact C-N 3.28Å; Q222-Y224 HydrophobicContact CB-CD1 3.94Å; Q222-Y224 HydrophobicContact CB-CD2 4.31Å; Q222-Y224 HydrophobicContact CB-CE1 3.72Å; Q222-Y224 HydrophobicContact CB-CE2 4.09Å; Q222-Y224 HydrophobicContact CB-CG 4.23Å; Q222-Y224 HydrophobicContact CG-CE1 3.97Å; Q222-Y224 HydrophobicContact CG-CE2 4.19Å; Y224-T230 HydrophobicContact CD2-CG2 3.76Å; Y224-T230 HydrophobicContact CE2-CG2 4.45Å; Y224-T230 HydrophobicContact CG-CG2 4.23Å; Y224-S231 VanDerWaalsContact OH-CB 3.25Å; Y224-S231 WeakPolarHBondContact OH-CB 3.41Å; Y224-M323 VanDerWaalsContact CB-O 3.3Å; Y224-M323 WeakPolarHBondContact CB-O 3.33Å; Y224-M323 HydrophobicContact CD1-CE 3.59Å; Y224-M323 HydrophobicContact CD2-CE 4.12Å; Y224-M323 HydrophobicContact CE1-CE 3.65Å; Y224-M323 HydrophobicContact CE2-CE 4.19Å; Y224-M323 HydrophobicContact CG-CE 3.83Å; Y224-M323 HydrophobicContact CG-CG 4.24Å
225I96.6Very high97.3Very high16 Ų1629 Ų298%0.08214%0.142CC..  trans-116.8161.6-176.751.8171.7000110.5C197 T230 I247 V257C197-I225 HydrophobicContact CB-CB 4.46Å; C197-I225 HydrophobicContact CB-CG2 4.29Å; I225-T230 WeakPolarHBondContact O-CB 3.41Å; I225-T230 WeakPolarHBondContact O-CG2 3.44Å; I225-T230 PolarHBondContact O-OG1 3.09Å; I225-I247 HydrophobicContact CB-CD1 3.89Å; I225-I247 HydrophobicContact CD1-CB 4.26Å; I225-I247 HydrophobicContact CD1-CD1 3.63Å; I225-I247 HydrophobicContact CD1-CG2 3.66Å; I225-I247 HydrophobicContact CG1-CD1 3.74Å; I225-V257 HydrophobicContact CG2-CG1 3.76Å
226G96.8Very high97.3Very high1 Ų126.7 Ų26.71%0.0113%0.129CC..SBendtrans101.2-1.8176.500000115.6C197 S229C197-G226 CarbonylContact O-C 3.55Å; C197-G226 VanDerWaalsContact O-C 3.31Å; C197-G226 WeakPolarHBondContact O-CA 3.45Å; C197-G226 PolarHBondContact O-N 3.34Å; G226-S229 WeakPolarHBondContact O-CB 3.4Å; G226-S229 PolarHBondContact O-N 2.92Å
227G97.3Very high97.2Very high17 Ų1727.6 Ų27.618%0.17513%0.132CC..THydrogen-bonded Turntrans57.5-139178.700000113C197 S229 T230 S231C197-G227 PolarHBondContact O-N 2.83Å; G227-S229 PolarHBondContact O-N 2.93Å; G227-T230 WeakPolarHBondContact O-CB 3.48Å; G227-T230 PolarHBondContact O-N 3.24Å; G227-S231 PolarHBondContact O-N 3.29Å; G227-S231 PolarHBondContact O-OG 3.26Å
228L97.9Very high97.2Very high62 Ų6226.9 Ų26.933%0.32513%0.128SC..Hα-helixtrans-59.7-31.3-178.4-61.8-177.5000113.7T230 S231 E232 I233 D483L228-T230 PolarHBondContact O-N 2.84Å; L228-S231 WeakPolarHBondContact CA-OG 3.16Å; L228-S231 PolarHBondContact O-N 2.78Å; L228-E232 HydrophobicContact CD2-CB 4.35Å; L228-E232 VanDerWaalsContact CD2-CD 3.47Å; L228-E232 HydrophobicContact CD2-CG 4.13Å; L228-E232 WeakPolarHBondContact CD2-OE1 3.26Å; L228-E232 PolarHBondContact O-N 2.95Å; L228-I233 PolarHBondContact O-N 2.88Å; L228-D483 WeakPolarHBondContact CD1-OD2 3.45Å
229S98.1Very high97.1Very high2 Ų227.9 Ų27.91%0.01414%0.135CC..Hα-helixtrans-57.2-32.3174.2-57.40000111.9G226 G227 K320G226-S229 WeakPolarHBondContact O-CB 3.4Å; G226-S229 PolarHBondContact O-N 2.92Å; G227-S229 PolarHBondContact O-N 2.93Å; S229-K320 PolarHBondContact O-NZ 3.18Å
230T97.6Very high96.9Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-90.6-50.7175.1-65.20000111.3Y224 I225 G227 L228 Y240 K320 M323Y224-T230 HydrophobicContact CD2-CG2 3.76Å; Y224-T230 HydrophobicContact CE2-CG2 4.45Å; Y224-T230 HydrophobicContact CG-CG2 4.23Å; I225-T230 WeakPolarHBondContact O-CB 3.41Å; I225-T230 WeakPolarHBondContact O-CG2 3.44Å; I225-T230 PolarHBondContact O-OG1 3.09Å; G227-T230 WeakPolarHBondContact O-CB 3.48Å; G227-T230 PolarHBondContact O-N 3.24Å; L228-T230 PolarHBondContact O-N 2.84Å; T230-Y240 HydrophobicContact CG2-CD2 3.91Å; T230-Y240 HydrophobicContact CG2-CE2 3.61Å; T230-K320 WeakPolarHBondContact O-CD 3.37Å; T230-K320 PolarHBondContact O-NZ 3.06Å; T230-M323 HydrophobicContact CG2-CB 4.29Å; T230-M323 HydrophobicContact CG2-CE 3.93Å; T230-M323 HydrophobicContact CG2-CG 3.5Å; T230-M323 VanDerWaalsContact CG2-CG 3.5Å; T230-M323 HydrophobicContact CG2-SD 3.58Å; T230-M323 VanDerWaalsContact CG2-SD 3.58Å
231S96.9Very high96.7Very high6 Ų630.6 Ų30.64%0.04215%0.147CC..Hα-helixtrans-81.1-24.8-167.164.90000115.4Y224 G227 L228 L312 P313 A316Y224-S231 VanDerWaalsContact OH-CB 3.25Å; Y224-S231 WeakPolarHBondContact OH-CB 3.41Å; G227-S231 PolarHBondContact O-N 3.29Å; G227-S231 PolarHBondContact O-OG 3.26Å; L228-S231 WeakPolarHBondContact CA-OG 3.16Å; L228-S231 PolarHBondContact O-N 2.78Å; S231-L312 CarbonylContact O-C 3.45Å; S231-P313 WeakPolarHBondContact O-CA 3.43Å; S231-A316 WeakPolarHBondContact O-CB 3.46Å
232E97.9Very high96.7Very high16 Ų1626.3 Ų26.38%0.07513%0.129CC..THydrogen-bonded Turntrans-131.5-40.9-168.9-72.8179.8-131.200114.1L228 P234 K309 L312 P313L228-E232 HydrophobicContact CD2-CB 4.35Å; L228-E232 VanDerWaalsContact CD2-CD 3.47Å; L228-E232 HydrophobicContact CD2-CG 4.13Å; L228-E232 WeakPolarHBondContact CD2-OE1 3.26Å; L228-E232 PolarHBondContact O-N 2.95Å; E232-P234 WeakPolarHBondContact O-CD 3.43Å; E232-K309 VanDerWaalsContact OE1-CD 3.23Å; E232-K309 WeakPolarHBondContact OE1-CD 3.26Å; E232-K309 WeakPolarHBondContact OE1-CE 3.3Å; E232-K309 IonicContact OE1-NZ 3.43Å; E232-K309 PolarHBondContact OE1-NZ 3.46Å; E232-K309 IonicContact OE2-NZ 3.13Å; E232-K309 PolarHBondContact OE2-NZ 2.83Å; E232-L312 HydrophobicContact CB-CB 4.19Å; E232-L312 HydrophobicContact CB-CD1 4.06Å; E232-L312 HydrophobicContact CG-CB 3.96Å; E232-L312 HydrophobicContact CG-CD1 4.28Å; E232-P313 HydrophobicContact CG-CG 4.27Å
233I98.3Very high96.8Very high19 Ų1922.8 Ų22.810%0.09711%0.112CC..SBendtrans-63122.6178.1-58.7-175.8000108.6V131 L228 R237 L238 K320V131-I233 HydrophobicContact CG1-CD1 4.32Å; V131-I233 HydrophobicContact CG1-CG2 4.12Å; V131-I233 HydrophobicContact CG2-CD1 4.39Å; L228-I233 PolarHBondContact O-N 2.88Å; I233-R237 HydrophobicContact CG2-CB 4.3Å; I233-L238 HydrophobicContact CB-CB 4.34Å; I233-L238 HydrophobicContact CB-CD2 4.31Å; I233-L238 HydrophobicContact CD1-CD2 4.16Å; I233-L238 HydrophobicContact CG2-CB 3.52Å; I233-L238 HydrophobicContact CG2-CD2 4.17Å; I233-K320 WeakPolarHBondContact O-CE 3.44Å; I233-K320 PolarHBondContact O-NZ 3.48Å
234P98.1Very high96.8Very high4 Ų418.4 Ų18.43%0.0269%0.094CC..  trans-64.9148.6-173.1-2535000113.9E232 F236 R237 L238 D348E232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-F236 HydrophobicContact CB-CD1 3.89Å; P234-F236 HydrophobicContact CB-CD2 3.91Å; P234-F236 HydrophobicContact CB-CE1 3.43Å; P234-F236 VanDerWaalsContact CB-CE1 3.43Å; P234-F236 HydrophobicContact CB-CE2 3.47Å; P234-F236 VanDerWaalsContact CB-CE2 3.47Å; P234-F236 HydrophobicContact CB-CG 4.1Å; P234-F236 HydrophobicContact CB-CZ 3.21Å; P234-F236 HydrophobicContact CG-CE1 4.22Å; P234-F236 HydrophobicContact CG-CE2 3.85Å; P234-F236 HydrophobicContact CG-CZ 3.58Å; P234-F236 PolarHBondContact O-N 2.95Å; P234-R237 PolarHBondContact O-N 3.4Å; P234-L238 PolarHBondContact O-N 2.9Å; P234-D348 WeakPolarHBondContact CD-OD1 3.39Å; P234-D348 HydrophobicContact CG-CB 3.91Å; P234-D348 WeakPolarHBondContact CG-OD1 3.44Å
235Q96.3Very high96.9Very high19 Ų1917.9 Ų17.99%0.0899%0.093CC..THydrogen-bonded Turntrans-54.7-35.3178.3175.566.619.900113F61 R237 L238 K320F61-Q235 HydrophobicContact CB-CB 4.2Å; F61-Q235 HydrophobicContact CB-CG 4.01Å; F61-Q235 HydrophobicContact CD1-CB 4.09Å; F61-Q235 HydrophobicContact CG-CB 4.45Å; Q235-R237 PolarHBondContact O-N 2.93Å; Q235-L238 CarbonylContact O-C 3.33Å; Q235-K320 HydrophobicContact CB-CG 4.21Å
236F97Very high97Very high0 Ų017.2 Ų17.20%09%0.089CC..THydrogen-bonded Turntrans-72.3-9.8178.651.9-107.3000114F61 D62 D63 I64 P234 T351 R355F61-F236 AromaticContact CD1-CD1 3.74Å; F61-F236 HydrophobicContact CD1-CD1 3.74Å; F61-F236 HydrophobicContact CD1-CE1 4.3Å; F61-F236 HydrophobicContact CE1-CD1 4.32Å; F61-F236 HydrophobicContact CE1-CE1 4.45Å; D62-F236 WeakPolarHBondContact O-CB 3.32Å; D63-F236 WeakPolarHBondContact CA-O 3.17Å; I64-F236 HydrophobicContact CD1-CD2 3.37Å; I64-F236 HydrophobicContact CD1-CE2 3.7Å; I64-F236 HydrophobicContact CD1-CG 4.26Å; I64-F236 HydrophobicContact CG1-CB 4.39Å; I64-F236 HydrophobicContact CG1-CD2 3.73Å; I64-F236 HydrophobicContact CG1-CG 4.44Å; I64-F236 HydrophobicContact CG2-CB 4.43Å; I64-F236 PolarHBondContact N-O 3.11Å; I64-F236 VanDerWaalsContact N-O 3.09Å; P234-F236 HydrophobicContact CB-CD1 3.89Å; P234-F236 HydrophobicContact CB-CD2 3.91Å; P234-F236 HydrophobicContact CB-CE1 3.43Å; P234-F236 VanDerWaalsContact CB-CE1 3.43Å; P234-F236 HydrophobicContact CB-CE2 3.47Å; P234-F236 VanDerWaalsContact CB-CE2 3.47Å; P234-F236 HydrophobicContact CB-CG 4.1Å; P234-F236 HydrophobicContact CB-CZ 3.21Å; P234-F236 HydrophobicContact CG-CE1 4.22Å; P234-F236 HydrophobicContact CG-CE2 3.85Å; P234-F236 HydrophobicContact CG-CZ 3.58Å; P234-F236 PolarHBondContact O-N 2.95Å; F236-T351 WeakPolarHBondContact CZ-OG1 3.46Å; F236-R355 HydrophobicContact CD1-CG 4.43Å; F236-R355 HydrophobicContact CE1-CG 4.29Å
237R98.3Very high97.1Very high20 Ų2017.2 Ų17.28%0.0759%0.089CC..THydrogen-bonded Turntrans-105.6-47.3169.1-60.5-156.9-58.1127.24.9111.1K65 I233 P234 Q235 D348 E378 L381K65-R237 WeakPolarHBondContact CD-O 3.32Å; K65-R237 WeakPolarHBondContact CE-O 3.46Å; K65-R237 PolarHBondContact NZ-O 2.83Å; I233-R237 HydrophobicContact CG2-CB 4.3Å; P234-R237 PolarHBondContact O-N 3.4Å; Q235-R237 PolarHBondContact O-N 2.93Å; R237-D348 IonicContact CZ-OD1 3.25Å; R237-D348 VanDerWaalsContact CZ-OD1 3.3Å; R237-D348 IonicContact CZ-OD2 2.64Å; R237-D348 IonicContact NE-OD1 3.3Å; R237-D348 PolarHBondContact NE-OD1 3.47Å; R237-D348 IonicContact NE-OD2 3.28Å; R237-D348 VanDerWaalsContact NH2-CG 3.32Å; R237-D348 IonicContact NH2-OD1 3.65Å; R237-D348 PolarHBondContact NH2-OD1 2.88Å; R237-D348 VanDerWaalsContact NH2-OD1 3.16Å; R237-D348 IonicContact NH2-OD2 2.92Å; R237-D348 PolarHBondContact NH2-OD2 3.36Å; R237-E378 IonicContact CZ-OE1 2.7Å; R237-E378 IonicContact CZ-OE2 3.66Å; R237-E378 VanDerWaalsContact CZ-OE2 3.24Å; R237-E378 IonicContact NE-OE1 3.86Å; R237-E378 PolarHBondContact NE-OE1 3.38Å; R237-E378 IonicContact NE-OE2 3.6Å; R237-E378 IonicContact NH1-OE1 2.72Å; R237-E378 IonicContact NH1-OE2 3.37Å; R237-E378 PolarHBondContact NH1-OE2 3.04Å; R237-L381 HydrophobicContact CG-CD1 4.41Å
238L97.9Very high97.1Very high0 Ų018.2 Ų18.20%09%0.09CC..SBendtrans-129.3103-178.5-177.161.5000111.3T127 M130 V131 I233 P234 Q235 V242 V243T127-L238 HydrophobicContact CG2-CD1 4.14Å; T127-L238 HydrophobicContact CG2-CD2 3.77Å; M130-L238 HydrophobicContact CB-CD1 4.36Å; M130-L238 HydrophobicContact SD-CD1 4.04Å; V131-L238 HydrophobicContact CG1-CB 3.94Å; V131-L238 HydrophobicContact CG1-CD1 4.33Å; V131-L238 HydrophobicContact CG1-CD2 4.2Å; V131-L238 HydrophobicContact CG1-CG 4.4Å; I233-L238 HydrophobicContact CB-CB 4.34Å; I233-L238 HydrophobicContact CB-CD2 4.31Å; I233-L238 HydrophobicContact CD1-CD2 4.16Å; I233-L238 HydrophobicContact CG2-CB 3.52Å; I233-L238 HydrophobicContact CG2-CD2 4.17Å; P234-L238 PolarHBondContact O-N 2.9Å; Q235-L238 CarbonylContact O-C 3.33Å; L238-V242 HydrophobicContact CD1-CB 4.13Å; L238-V242 HydrophobicContact CD1-CG1 3.84Å; L238-V243 HydrophobicContact CD2-CG2 3.97Å; L238-V243 HydrophobicContact CG-CG2 4.22Å
239P96Very high97.1Very high21 Ų2115.5 Ų15.514%0.1368%0.076CC..  trans-62.8138.8174.9-22.134.1000112.4M130 E241 V242M130-P239 VanDerWaalsContact SD-CD 3.51Å; M130-P239 HydrophobicContact SD-CG 4.44Å; P239-E241 VanDerWaalsContact C-N 3.3Å; P239-E241 HydrophobicContact CB-CG 4.16Å; P239-E241 WeakPolarHBondContact CB-OE1 3.35Å; P239-E241 WeakPolarHBondContact CB-OE2 3.3Å; P239-E241 PolarHBondContact O-N 2.92Å; P239-V242 HydrophobicContact CB-CG2 4.23Å; P239-V242 HydrophobicContact CG-CG2 4.46Å; P239-V242 VanDerWaalsContact O-CB 3.28Å; P239-V242 WeakPolarHBondContact O-CB 3.36Å; P239-V242 PolarHBondContact O-N 3.34Å
240Y94.9Very high97.1Very high15 Ų1515.5 Ų15.56%0.0598%0.076CC..Hα-helixtrans-61.8-35-177.5179.8-113.2000114T230 V242 V243 Q244 K320 K321 M323T230-Y240 HydrophobicContact CG2-CD2 3.91Å; T230-Y240 HydrophobicContact CG2-CE2 3.61Å; Y240-V242 PolarHBondContact O-N 3.05Å; Y240-V242 VanDerWaalsContact O-N 3.15Å; Y240-V243 PolarHBondContact O-N 3.07Å; Y240-Q244 HydrophobicContact CE1-CB 4.48Å; Y240-Q244 PolarHBondContact O-N 2.93Å; Y240-Q244 PolarHBondContact OH-OE1 2.74Å; Y240-K320 HydrophobicContact CD2-CD 4.36Å; Y240-K320 HydrophobicContact CG-CB 4.23Å; Y240-K321 VanDerWaalsContact CD1-O 3.27Å; Y240-K321 WeakPolarHBondContact CD1-O 3.5Å; Y240-M323 HydrophobicContact CD2-CB 4.34Å; Y240-M323 HydrophobicContact CE1-CB 4.49Å; Y240-M323 HydrophobicContact CE2-CB 4.18Å
241E93.7Very high97.2Very high69 Ų6919.1 Ų19.132%0.3229%0.092SC..Hα-helixtrans-58.6-26.6178.460.9-91-144.300112.9P239 F245P239-E241 VanDerWaalsContact C-N 3.3Å; P239-E241 HydrophobicContact CB-CG 4.16Å; P239-E241 WeakPolarHBondContact CB-OE1 3.35Å; P239-E241 WeakPolarHBondContact CB-OE2 3.3Å; P239-E241 PolarHBondContact O-N 2.92Å; E241-F245 VanDerWaalsContact O-CB 3.31Å; E241-F245 WeakPolarHBondContact O-CB 3.38Å; E241-F245 PolarHBondContact O-N 2.7Å
242V96.5Very high97.2Very high8 Ų821.3 Ų21.35%0.04810%0.103CC..Hα-helixtrans-64.9-49.5173.3169.40000110.7L126 M130 L238 P239 Y240 Q244 F245 E246L126-V242 HydrophobicContact CB-CG1 3.83Å; L126-V242 HydrophobicContact CD2-CB 4.2Å; L126-V242 HydrophobicContact CD2-CG1 3.79Å; L126-V242 HydrophobicContact CD2-CG2 3.86Å; L126-V242 HydrophobicContact CG-CB 4.3Å; L126-V242 HydrophobicContact CG-CG1 3.46Å; L126-V242 VanDerWaalsContact CG-CG1 3.46Å; L126-V242 HydrophobicContact CG-CG2 4.05Å; M130-V242 HydrophobicContact CE-CG2 3.47Å; M130-V242 VanDerWaalsContact CE-CG2 3.47Å; M130-V242 HydrophobicContact SD-CG2 4.11Å; L238-V242 HydrophobicContact CD1-CB 4.13Å; L238-V242 HydrophobicContact CD1-CG1 3.84Å; P239-V242 HydrophobicContact CB-CG2 4.23Å; P239-V242 HydrophobicContact CG-CG2 4.46Å; P239-V242 VanDerWaalsContact O-CB 3.28Å; P239-V242 WeakPolarHBondContact O-CB 3.36Å; P239-V242 PolarHBondContact O-N 3.34Å; Y240-V242 PolarHBondContact O-N 3.05Å; Y240-V242 VanDerWaalsContact O-N 3.15Å; V242-Q244 VanDerWaalsContact C-N 3.3Å; V242-Q244 PolarHBondContact O-N 3.17Å; V242-F245 WeakPolarHBondContact O-CB 3.3Å; V242-F245 PolarHBondContact O-N 2.95Å; V242-E246 PolarHBondContact O-N 2.96Å; V242-E246 VanDerWaalsContact O-N 3.16Å
243V97.5Very high97.2Very high3 Ų321.6 Ų21.62%0.01811%0.105CC..Hα-helixtrans-65.3-40.6-179.1-176.30000110.1L238 Y240 E246 I247L238-V243 HydrophobicContact CD2-CG2 3.97Å; L238-V243 HydrophobicContact CG-CG2 4.22Å; Y240-V243 PolarHBondContact O-N 3.07Å; V243-E246 PolarHBondContact O-N 3.22Å; V243-I247 HydrophobicContact CG1-CD1 3.85Å; V243-I247 VanDerWaalsContact O-CG1 3.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.3Å; V243-I247 PolarHBondContact O-N 3.36Å; V243-I247 VanDerWaalsContact O-N 3.12Å
244Q95.6Very high97.2Very high49 Ų4922.6 Ų22.623%0.22912%0.12CC..Hα-helixtrans-60.9-46.4175.6-175.257.452.500111.5Y240 V242 E246 I247 D248Y240-Q244 HydrophobicContact CE1-CB 4.48Å; Y240-Q244 PolarHBondContact O-N 2.93Å; Y240-Q244 PolarHBondContact OH-OE1 2.74Å; V242-Q244 VanDerWaalsContact C-N 3.3Å; V242-Q244 PolarHBondContact O-N 3.17Å; Q244-E246 PolarHBondContact O-N 2.93Å; Q244-I247 PolarHBondContact O-N 2.81Å; Q244-D248 PolarHBondContact NE2-OD1 2.81Å; Q244-D248 PolarHBondContact NE2-OD2 2.87Å; Q244-D248 WeakPolarHBondContact O-CB 3.46Å; Q244-D248 VanDerWaalsContact O-CG 3.24Å; Q244-D248 PolarHBondContact O-N 2.9Å
245F96.4Very high97.2Very high28 Ų2822.7 Ų22.712%0.12312%0.12CC..Hα-helixtrans-55.7-48176.9157.9-106.7000112.6L126 T162 F165 S166 E241 V242 I247 D248 L249L126-F245 HydrophobicContact CD2-CD1 4.05Å; L126-F245 HydrophobicContact CD2-CE1 4.29Å; T162-F245 HydrophobicContact CG2-CE1 4.03Å; F165-F245 HydrophobicContact CD1-CE2 4.36Å; F165-F245 AromaticContact CD1-CZ 3.73Å; F165-F245 HydrophobicContact CD1-CZ 3.73Å; F165-F245 HydrophobicContact CE1-CE2 4.28Å; F165-F245 AromaticContact CE1-CZ 3.91Å; F165-F245 HydrophobicContact CE1-CZ 3.91Å; S166-F245 WeakPolarHBondContact OG-CD2 3.34Å; E241-F245 VanDerWaalsContact O-CB 3.31Å; E241-F245 WeakPolarHBondContact O-CB 3.38Å; E241-F245 PolarHBondContact O-N 2.7Å; V242-F245 WeakPolarHBondContact O-CB 3.3Å; V242-F245 PolarHBondContact O-N 2.95Å; F245-I247 PolarHBondContact O-N 3.31Å; F245-D248 PolarHBondContact O-N 3.32Å; F245-L249 HydrophobicContact CD2-CG 4.4Å; F245-L249 HydrophobicContact CE1-CD1 3.98Å; F245-L249 HydrophobicContact CE2-CD1 3.81Å; F245-L249 HydrophobicContact CE2-CD2 4.14Å; F245-L249 HydrophobicContact CE2-CG 3.95Å; F245-L249 HydrophobicContact CZ-CD1 3.49Å; F245-L249 VanDerWaalsContact CZ-CD1 3.49Å; F245-L249 HydrophobicContact CZ-CG 4.17Å; F245-L249 PolarHBondContact O-N 3.09Å
246E98.5Very high97.3Very high3 Ų326.9 Ų26.91%0.01414%0.138CC..Hα-helixtrans-67.7-36.8-178.4-66.7174.4150.400112.3L124 G125 L126 T127 V242 V243 Q244 D248 L249 M250L124-E246 WeakPolarHBondContact CA-OE1 3.15Å; G125-E246 PolarHBondContact N-OE1 3.03Å; L126-E246 WeakPolarHBondContact CA-OE1 3.42Å; L126-E246 WeakPolarHBondContact CB-OE1 3.45Å; L126-E246 PolarHBondContact N-OE1 2.76Å; T127-E246 VanDerWaalsContact CB-OE2 3.26Å; T127-E246 WeakPolarHBondContact CB-OE2 3.39Å; T127-E246 PolarHBondContact N-OE1 2.83Å; T127-E246 PolarHBondContact OG1-OE2 2.93Å; V242-E246 PolarHBondContact O-N 2.96Å; V242-E246 VanDerWaalsContact O-N 3.16Å; V243-E246 PolarHBondContact O-N 3.22Å; Q244-E246 PolarHBondContact O-N 2.93Å; E246-D248 VanDerWaalsContact C-N 3.34Å; E246-L249 PolarHBondContact O-N 3.17Å; E246-M250 PolarHBondContact O-N 2.85Å; E246-M250 VanDerWaalsContact O-N 3.16Å
247I98.1Very high97.4Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-68.8-36.3174.8-66.8168.4000111I202 I225 V243 Q244 F245 M250 K251I202-I247 HydrophobicContact CD1-CD1 4Å; I202-I247 HydrophobicContact CD1-CG1 3.76Å; I202-I247 HydrophobicContact CG1-CG1 4.38Å; I225-I247 HydrophobicContact CB-CD1 3.89Å; I225-I247 HydrophobicContact CD1-CB 4.26Å; I225-I247 HydrophobicContact CD1-CD1 3.63Å; I225-I247 HydrophobicContact CD1-CG2 3.66Å; I225-I247 HydrophobicContact CG1-CD1 3.74Å; V243-I247 HydrophobicContact CG1-CD1 3.85Å; V243-I247 VanDerWaalsContact O-CG1 3.31Å; V243-I247 WeakPolarHBondContact O-CG1 3.3Å; V243-I247 PolarHBondContact O-N 3.36Å; V243-I247 VanDerWaalsContact O-N 3.12Å; Q244-I247 PolarHBondContact O-N 2.81Å; F245-I247 PolarHBondContact O-N 3.31Å; I247-M250 HydrophobicContact CG2-CE 4.14Å; I247-M250 WeakPolarHBondContact O-CB 3.04Å; I247-M250 PolarHBondContact O-N 3.03Å; I247-K251 HydrophobicContact CG2-CD 4.19Å; I247-K251 HydrophobicContact CG2-CG 4.41Å; I247-K251 WeakPolarHBondContact O-CG 3.39Å; I247-K251 PolarHBondContact O-N 3.35Å
248D97.3Very high97.4Very high38 Ų3830 Ų3020%0.20316%0.159CC..Hα-helixtrans-66.7-37.6176.2-71.3-24000111.7Q244 F245 E246 M250 K251 D252Q244-D248 PolarHBondContact NE2-OD1 2.81Å; Q244-D248 PolarHBondContact NE2-OD2 2.87Å; Q244-D248 WeakPolarHBondContact O-CB 3.46Å; Q244-D248 VanDerWaalsContact O-CG 3.24Å; Q244-D248 PolarHBondContact O-N 2.9Å; F245-D248 PolarHBondContact O-N 3.32Å; E246-D248 VanDerWaalsContact C-N 3.34Å; D248-M250 VanDerWaalsContact C-N 3.33Å; D248-M250 PolarHBondContact O-N 2.82Å; D248-K251 PolarHBondContact O-N 2.78Å; D248-K251 IonicContact OD1-NZ 2.74Å; D248-D252 PolarHBondContact O-N 3.44Å
249L98.4Very high97.3Very high6 Ų632.2 Ų32.23%0.03117%0.174CC..Hα-helixtrans-59.7-42.1170.3-68179.4000112.1L119 F165 Q172 F245 E246 D252 F526L119-L249 HydrophobicContact CD1-CD1 4.03Å; F165-L249 HydrophobicContact CE1-CD1 4.18Å; F165-L249 HydrophobicContact CE1-CD2 4.29Å; Q172-L249 HydrophobicContact CB-CB 4.28Å; Q172-L249 HydrophobicContact CB-CD2 4.04Å; Q172-L249 VanDerWaalsContact NE2-C 3.34Å; Q172-L249 PolarHBondContact NE2-O 3.15Å; F245-L249 HydrophobicContact CD2-CG 4.4Å; F245-L249 HydrophobicContact CE1-CD1 3.98Å; F245-L249 HydrophobicContact CE2-CD1 3.81Å; F245-L249 HydrophobicContact CE2-CD2 4.14Å; F245-L249 HydrophobicContact CE2-CG 3.95Å; F245-L249 HydrophobicContact CZ-CD1 3.49Å; F245-L249 VanDerWaalsContact CZ-CD1 3.49Å; F245-L249 HydrophobicContact CZ-CG 4.17Å; F245-L249 PolarHBondContact O-N 3.09Å; E246-L249 PolarHBondContact O-N 3.17Å; L249-D252 WeakPolarHBondContact O-CB 3.48Å; L249-D252 PolarHBondContact O-N 2.78Å; L249-F526 HydrophobicContact CD1-CE2 4.24Å
250M98.6Very high97.3Very high1 Ų136.4 Ų36.41%0.00519%0.192CC..Hα-helixtrans-63.4-42.5175.2177.7-163.672.300111.4I202 A205 S206 I218 E246 I247 D248 D252 L253 V255 V257I202-M250 HydrophobicContact CB-SD 4.21Å; I202-M250 HydrophobicContact CG1-SD 4.35Å; I202-M250 HydrophobicContact CG2-SD 3.89Å; A205-M250 HydrophobicContact CB-SD 3.95Å; S206-M250 WeakPolarHBondContact OG-CG 3.34Å; I218-M250 HydrophobicContact CD1-CE 3.83Å; I218-M250 HydrophobicContact CD1-SD 3.75Å; E246-M250 PolarHBondContact O-N 2.85Å; E246-M250 VanDerWaalsContact O-N 3.16Å; I247-M250 HydrophobicContact CG2-CE 4.14Å; I247-M250 WeakPolarHBondContact O-CB 3.04Å; I247-M250 PolarHBondContact O-N 3.03Å; D248-M250 VanDerWaalsContact C-N 3.33Å; D248-M250 PolarHBondContact O-N 2.82Å; M250-D252 VanDerWaalsContact C-N 3.29Å; M250-D252 PolarHBondContact O-N 3.48Å; M250-L253 WeakPolarHBondContact O-CB 3.44Å; M250-L253 PolarHBondContact O-N 3.36Å; M250-L253 VanDerWaalsContact O-N 3.15Å; M250-V255 HydrophobicContact CE-CB 4.14Å; M250-V255 HydrophobicContact CE-CG1 3.73Å; M250-V255 HydrophobicContact CG-CB 3.89Å; M250-V255 HydrophobicContact CG-CG1 4.16Å; M250-V255 HydrophobicContact CG-CG2 3.8Å; M250-V255 HydrophobicContact SD-CB 4.29Å; M250-V255 HydrophobicContact SD-CG1 3.89Å; M250-V257 HydrophobicContact CE-CG2 3.87Å
251K98.3Very high97.3Very high77 Ų7740.2 Ų40.234%0.33521%0.209SC..Hα-helixtrans-65.8-28.8178.6-74.3173.2179.8169.50113.2I247 D248 L253 G254I247-K251 HydrophobicContact CG2-CD 4.19Å; I247-K251 HydrophobicContact CG2-CG 4.41Å; I247-K251 WeakPolarHBondContact O-CG 3.39Å; I247-K251 PolarHBondContact O-N 3.35Å; D248-K251 PolarHBondContact O-N 2.78Å; D248-K251 IonicContact OD1-NZ 2.74Å; K251-L253 PolarHBondContact O-N 2.96Å; K251-L253 VanDerWaalsContact O-N 3.15Å; K251-G254 PolarHBondContact O-N 2.74Å
252D97.8Very high97.3Very high51 Ų5137.1 Ų37.127%0.27320%0.195SC..Hα-helixtrans-57.8-26.8173.5-63.3-26.8000112.7P171 Q172 D248 L249 M250 G254 R913P171-D252 VanDerWaalsContact CA-OD2 3.3Å; P171-D252 WeakPolarHBondContact CA-OD2 3.45Å; P171-D252 WeakPolarHBondContact CB-OD2 3.4Å; Q172-D252 HydrophobicContact CB-CB 4.25Å; Q172-D252 PolarHBondContact N-OD2 2.95Å; Q172-D252 VanDerWaalsContact O-CB 3.27Å; Q172-D252 WeakPolarHBondContact O-CB 3.3Å; D248-D252 PolarHBondContact O-N 3.44Å; L249-D252 WeakPolarHBondContact O-CB 3.48Å; L249-D252 PolarHBondContact O-N 2.78Å; M250-D252 VanDerWaalsContact C-N 3.29Å; M250-D252 PolarHBondContact O-N 3.48Å; D252-G254 PolarHBondContact O-N 2.89Å; D252-R913 IonicContact OD1-CZ 3.54Å; D252-R913 IonicContact OD1-NH1 3.81Å; D252-R913 PolarHBondContact OD1-NH1 3.19Å; D252-R913 IonicContact OD1-NH2 3.54Å; D252-R913 PolarHBondContact OD1-NH2 3.4Å; D252-R913 IonicContact OD2-CZ 2.68Å; D252-R913 IonicContact OD2-NH1 2.81Å; D252-R913 IonicContact OD2-NH2 2.78Å; D252-R913 PolarHBondContact OD2-NH2 3.03Å
253L98.3Very high97.1Very high22 Ų2237.1 Ų37.112%0.11520%0.195CC..THydrogen-bonded Turntrans-83.24.1175.9-58.5179.5000113.4Q172 I173 A209 R210 M250 K251Q172-L253 HydrophobicContact CG-CD1 4.35Å; Q172-L253 HydrophobicContact CG-CD2 3.91Å; Q172-L253 HydrophobicContact CG-CG 4.13Å; I173-L253 WeakPolarHBondContact O-CD2 3.25Å; A209-L253 HydrophobicContact CB-CB 3.57Å; A209-L253 HydrophobicContact CB-CD1 3.85Å; A209-L253 HydrophobicContact CB-CG 4.37Å; R210-L253 HydrophobicContact CG-CD1 3.83Å; M250-L253 WeakPolarHBondContact O-CB 3.44Å; M250-L253 PolarHBondContact O-N 3.36Å; M250-L253 VanDerWaalsContact O-N 3.15Å; K251-L253 PolarHBondContact O-N 2.96Å; K251-L253 VanDerWaalsContact O-N 3.15Å
254G97.6Very high96.8Very high40 Ų4038 Ų3841%0.41221%0.205SC..THydrogen-bonded Turntrans91.53.9177.300000115.4K251 D252 K256K251-G254 PolarHBondContact O-N 2.74Å; D252-G254 PolarHBondContact O-N 2.89Å; G254-K256 PolarHBondContact O-N 3.29Å
255V98.7Very high96.4Very high6 Ų637.5 Ų37.54%0.03621%0.205CC..  trans-64.3127.9177.4-179.10000110.5A205 A209 I216 I218 M250A205-V255 HydrophobicContact CB-CG1 3.85Å; A205-V255 HydrophobicContact CB-CG2 4.14Å; A209-V255 HydrophobicContact CB-CG2 3.82Å; I216-V255 HydrophobicContact CB-CG2 4.45Å; I216-V255 HydrophobicContact CD1-CG2 4.3Å; I216-V255 HydrophobicContact CG2-CG1 4.12Å; I218-V255 HydrophobicContact CD1-CG1 4.04Å; I218-V255 HydrophobicContact CG1-CG1 3.97Å; M250-V255 HydrophobicContact CE-CB 4.14Å; M250-V255 HydrophobicContact CE-CG1 3.73Å; M250-V255 HydrophobicContact CG-CB 3.89Å; M250-V255 HydrophobicContact CG-CG1 4.16Å; M250-V255 HydrophobicContact CG-CG2 3.8Å; M250-V255 HydrophobicContact SD-CB 4.29Å; M250-V255 HydrophobicContact SD-CG1 3.89Å
256K98.6Very high95.9Very high108 Ų10843.8 Ų43.847%0.4724%0.24SC..EExtended strand (participates in β ladder)trans-93.9143.2179.1-61.1166.7-168.3163.50110.2I216 T217 I218 G254I216-K256 PolarHBondContact O-N 2.79Å; T217-K256 CarbonylContact C-O 3.56Å; T217-K256 WeakPolarHBondContact CA-O 3.33Å; T217-K256 HydrophobicContact CG2-CB 4.35Å; I218-K256 PolarHBondContact N-O 2.98Å; G254-K256 PolarHBondContact O-N 3.29Å
257V98.4Very high95.3Very high35 Ų3546.3 Ų46.321%0.21227%0.266CS..EExtended strand (participates in β ladder)trans-124.8126.3172.7-172.90000109C197 I218 I225 M250C197-V257 HydrophobicContact CB-CG1 4.31Å; I218-V257 HydrophobicContact CB-CG1 4.44Å; I218-V257 HydrophobicContact CB-CG2 4.3Å; I218-V257 HydrophobicContact CD1-CG2 4.48Å; I218-V257 CarbonylContact O-C 3.56Å; I218-V257 WeakPolarHBondContact O-CA 3.4Å; I225-V257 HydrophobicContact CG2-CG1 3.76Å; M250-V257 HydrophobicContact CE-CG2 3.87Å
258V97.8Very high95.1Very high50 Ų5047.2 Ų47.230%0.30327%0.271SS..EExtended strand (participates in β ladder)trans-118.6106.8178.3-176.20000108.4T217 I218 F219 E220 K261T217-V258 HydrophobicContact CG2-CG2 3.82Å; I218-V258 PolarHBondContact O-N 2.93Å; F219-V258 WeakPolarHBondContact CA-O 3.26Å; F219-V258 HydrophobicContact CD1-CB 3.94Å; F219-V258 HydrophobicContact CD1-CG1 4.37Å; F219-V258 HydrophobicContact CE1-CB 4.2Å; F219-V258 HydrophobicContact CE1-CG2 4.36Å; E220-V258 PolarHBondContact N-O 2.87Å; V258-K261 HydrophobicContact CG1-CD 3.71Å; V258-K261 HydrophobicContact CG1-CG 4.08Å
259C96.4Very high95.1Very high47 Ų4747.3 Ų47.332%0.31827%0.273SS..SBendtrans-74.1169.6176.6-64.20000112.1E220 Q222 K261E220-C259 CarbonylContact O-C 3.55Å; E220-C259 WeakPolarHBondContact O-CA 3.39Å; Q222-C259 VanDerWaalsContact O-CB 3.3Å; Q222-C259 WeakPolarHBondContact O-CB 3.43Å; C259-K261 PolarHBondContact O-N 3.07Å
260E95.2Very high95.1Very high109 Ų10947 Ų4751%0.50927%0.272SS..SBendtrans55.729.5-178.7-56.3-177.89800114E220 K221 Q222 K223E220-E260 PolarHBondContact O-N 3.44Å; K221-E260 WeakPolarHBondContact O-CA 3.43Å; Q222-E260 PolarHBondContact O-N 3.04Å; K223-E260 VanDerWaalsContact CE-CD 3.49Å; K223-E260 WeakPolarHBondContact CE-OE1 3.35Å; K223-E260 HydrophobicContact CG-CG 3.75Å; K223-E260 IonicContact NZ-OE1 3.16Å
261K95.3Very high94.9Very high95 Ų9550.7 Ų50.741%0.41330%0.297SS..  trans-138.4135.6176.3-69.9-162.2-179.4-172.90110.9F219 E220 K221 V258 C259 M268F219-K261 CarbonylContact C-O 3.04Å; F219-K261 HydrophobicContact CB-CB 4.16Å; F219-K261 HydrophobicContact CD1-CB 3.88Å; F219-K261 HydrophobicContact CD1-CD 3.86Å; F219-K261 HydrophobicContact CE1-CD 4.06Å; F219-K261 HydrophobicContact CG-CB 4.45Å; E220-K261 CarbonylContact C-O 3.59Å; E220-K261 WeakPolarHBondContact CA-O 3.3Å; E220-K261 PolarHBondContact N-O 2.92Å; E220-K261 VanDerWaalsContact N-O 3.1Å; E220-K261 PolarHBondContact O-N 3.33Å; K221-K261 PolarHBondContact N-O 2.57Å; V258-K261 HydrophobicContact CG1-CD 3.71Å; V258-K261 HydrophobicContact CG1-CG 4.08Å; C259-K261 PolarHBondContact O-N 3.07Å; K261-M268 HydrophobicContact CB-CE 4.01Å; K261-M268 HydrophobicContact CD-CE 4.03Å
262G93.8Very high94.8Very high3 Ų348.7 Ų48.73%0.03129%0.293CS..  trans-175.3174.2176.400000111.6G264 V265 M268G262-G264 PolarHBondContact O-N 2.68Å; G262-V265 VanDerWaalsContact O-CB 3.29Å; G262-V265 WeakPolarHBondContact O-CB 3.44Å; G262-V265 PolarHBondContact O-N 3.21Å; G262-M268 WeakPolarHBondContact O-CB 3.23Å
263L93Very high94.8Very high9 Ų946.3 Ų46.35%0.04728%0.28CS..THydrogen-bonded Turntrans-55.5130.4179.3-71.7166.9000111.4I195 V265 L270 I283 V449 A452 M453I195-L263 HydrophobicContact CB-CD1 4.37Å; I195-L263 HydrophobicContact CB-CG 4.48Å; I195-L263 HydrophobicContact CG1-CD1 4.28Å; I195-L263 HydrophobicContact CG1-CG 4.23Å; I195-L263 HydrophobicContact CG2-CB 4.41Å; I195-L263 HydrophobicContact CG2-CD1 3.98Å; I195-L263 HydrophobicContact CG2-CG 3.79Å; L263-V265 PolarHBondContact O-N 3.49Å; L263-L270 HydrophobicContact CD2-CD2 4.22Å; L263-L270 HydrophobicContact CD2-CG 4.33Å; L263-I283 HydrophobicContact CD1-CG2 4.31Å; L263-V449 HydrophobicContact CB-CG1 4.35Å; L263-A452 HydrophobicContact CB-CB 4.07Å; L263-A452 HydrophobicContact CD2-CB 4.15Å; L263-M453 HydrophobicContact CD1-CG 3.81Å; L263-M453 HydrophobicContact CD1-SD 4.49Å
264G89.9Confident94.7Very high21 Ų2150.8 Ų50.822%0.21630%0.299CS..THydrogen-bonded Turntrans80.6-13.6-176.100000114.7G262 M268G262-G264 PolarHBondContact O-N 2.68Å; G264-M268 PolarHBondContact N-O 2.86Å
265V87Confident94.6Very high39 Ų3952.3 Ų52.324%0.23631%0.314CS..G310 helixtrans-84.5126.5178.3-176.20000109.6K221 G262 L263 G267 M268K221-V265 HydrophobicContact CG-CG2 4.21Å; G262-V265 VanDerWaalsContact O-CB 3.29Å; G262-V265 WeakPolarHBondContact O-CB 3.44Å; G262-V265 PolarHBondContact O-N 3.21Å; L263-V265 PolarHBondContact O-N 3.49Å; V265-G267 PolarHBondContact O-N 3.08Å; V265-G267 VanDerWaalsContact O-N 3.09Å; V265-M268 WeakPolarHBondContact O-CB 3.27Å; V265-M268 PolarHBondContact O-N 3.27Å
266N86.1Confident94.4Very high159 Ų15958.1 Ų58.185%0.8534%0.341SS*.G310 helixtrans51.233.1178.5-59.3-30.8000113.8M268N266-M268 VanDerWaalsContact C-N 3.34Å; N266-M268 PolarHBondContact O-N 2.99Å
267G86.1Confident94.3Very high56 Ų5654.3 Ų54.358%0.57733%0.332SS*.G310 helixtrans79.36.9179.200000115.7V265 T269V265-G267 PolarHBondContact O-N 3.08Å; V265-G267 VanDerWaalsContact O-N 3.09Å; G267-T269 PolarHBondContact O-N 3.24Å
268M95.1Very high94.3Very high19 Ų1953.8 Ų53.89%0.09433%0.327CS..  trans-66.8121.3175.5179.4-178.6-75.300110.9I195 F219 K261 G262 G264 V265 N266 L273I195-M268 HydrophobicContact CD1-SD 4.47Å; F219-M268 HydrophobicContact CB-CE 4.48Å; F219-M268 HydrophobicContact CB-SD 4.31Å; F219-M268 HydrophobicContact CD1-CE 3.88Å; F219-M268 HydrophobicContact CD2-CE 4.41Å; F219-M268 HydrophobicContact CE1-CE 4.16Å; F219-M268 HydrophobicContact CG-CE 4Å; F219-M268 HydrophobicContact CG-SD 4.31Å; K261-M268 HydrophobicContact CB-CE 4.01Å; K261-M268 HydrophobicContact CD-CE 4.03Å; G262-M268 WeakPolarHBondContact O-CB 3.23Å; G264-M268 PolarHBondContact N-O 2.86Å; V265-M268 WeakPolarHBondContact O-CB 3.27Å; V265-M268 PolarHBondContact O-N 3.27Å; N266-M268 VanDerWaalsContact C-N 3.34Å; N266-M268 PolarHBondContact O-N 2.99Å; M268-L273 HydrophobicContact CG-CG 4.47Å
269T97.4Very high94.4Very high41 Ų4155.6 Ų55.625%0.25233%0.331SS..  trans-134167.5178.364.20000110.4G267 S271 S272 L273 A452G267-T269 PolarHBondContact O-N 3.24Å; T269-S271 VanDerWaalsContact C-N 3.26Å; T269-S271 PolarHBondContact O-N 3.03Å; T269-S271 PolarHBondContact OG1-N 2.81Å; T269-S272 PolarHBondContact N-OG 2.76Å; T269-S272 PolarHBondContact O-N 3.3Å; T269-S272 PolarHBondContact O-OG 2.9Å; T269-S272 PolarHBondContact OG1-N 3Å; T269-S272 PolarHBondContact OG1-OG 2.7Å; T269-L273 WeakPolarHBondContact O-CG 3.48Å; T269-L273 PolarHBondContact O-N 2.72Å; T269-L273 VanDerWaalsContact O-N 3.08Å; T269-A452 WeakPolarHBondContact CA-O 3.38Å; T269-A452 HydrophobicContact CG2-CB 3.9Å
270L97.2Very high94.5Very high0 Ų053.3 Ų53.30%032%0.316CS..Hα-helixtrans-58-43.4169.6-65.3-177.6000111L263 S272 L273 K274 V281 I283 A452 M453 V456 W477 V478L263-L270 HydrophobicContact CD2-CD2 4.22Å; L263-L270 HydrophobicContact CD2-CG 4.33Å; L270-S272 VanDerWaalsContact C-N 3.33Å; L270-S272 PolarHBondContact O-N 3.32Å; L270-L273 PolarHBondContact O-N 3.07Å; L270-K274 PolarHBondContact O-N 2.82Å; L270-V281 HydrophobicContact CD2-CB 4.27Å; L270-V281 HydrophobicContact CD2-CG1 3.71Å; L270-V281 HydrophobicContact CD2-CG2 4.4Å; L270-I283 HydrophobicContact CD1-CD1 4.28Å; L270-I283 HydrophobicContact CD2-CD1 4.31Å; L270-A452 PolarHBondContact N-O 2.83Å; L270-M453 HydrophobicContact CD1-CB 4.39Å; L270-M453 VanDerWaalsContact CD1-O 3.24Å; L270-M453 WeakPolarHBondContact CD1-O 3.44Å; L270-V456 HydrophobicContact CD1-CG2 3.61Å; L270-W477 HydrophobicContact CB-CH2 3.95Å; L270-W477 HydrophobicContact CB-CZ2 4.24Å; L270-W477 VanDerWaalsContact O-CH2 3.28Å; L270-W477 WeakPolarHBondContact O-CH2 3.24Å; L270-V478 HydrophobicContact CD1-CG1 4.07Å; L270-V478 HydrophobicContact CD1-CG2 4.21Å; L270-V478 HydrophobicContact CD2-CG1 4.36Å
271S95.5Very high94.6Very high77 Ų7748.1 Ų48.154%0.53829%0.292SS..Hα-helixtrans-60.2-40.5178.6-67.20000112.8T269 K274 G275T269-S271 VanDerWaalsContact C-N 3.26Å; T269-S271 PolarHBondContact O-N 3.03Å; T269-S271 PolarHBondContact OG1-N 2.81Å; S271-K274 PolarHBondContact O-N 3.29Å; S271-G275 PolarHBondContact O-N 3.3Å
272S96.3Very high94.8Very high36 Ų3643.6 Ų43.625%0.25227%0.272SS..Hα-helixtrans-67.1-41.2175.2560000112.3T269 L270 K274 G275 E276T269-S272 PolarHBondContact N-OG 2.76Å; T269-S272 PolarHBondContact O-N 3.3Å; T269-S272 PolarHBondContact O-OG 2.9Å; T269-S272 PolarHBondContact OG1-N 3Å; T269-S272 PolarHBondContact OG1-OG 2.7Å; L270-S272 VanDerWaalsContact C-N 3.33Å; L270-S272 PolarHBondContact O-N 3.32Å; S272-K274 VanDerWaalsContact C-N 3.3Å; S272-K274 PolarHBondContact O-N 3.32Å; S272-G275 CarbonylContact O-C 3.2Å; S272-G275 WeakPolarHBondContact O-CA 3.25Å; S272-G275 PolarHBondContact O-N 3.32Å; S272-G275 VanDerWaalsContact O-N 3.07Å; S272-E276 WeakPolarHBondContact O-CG 3.36Å; S272-E276 PolarHBondContact O-N 3.14Å
273L96.6Very high95Very high0 Ų043.5 Ų43.50%027%0.27CS..Hα-helixtrans-62.8-40.3177.5-69.4169.5000111.1A193 I195 F219 M268 T269 L270 G275 E276 G277 F278 V281A193-L273 HydrophobicContact CB-CD1 4.4Å; A193-L273 HydrophobicContact CB-CD2 4.44Å; I195-L273 HydrophobicContact CD1-CD1 3.78Å; F219-L273 HydrophobicContact CE2-CD2 4.12Å; M268-L273 HydrophobicContact CG-CG 4.47Å; T269-L273 WeakPolarHBondContact O-CG 3.48Å; T269-L273 PolarHBondContact O-N 2.72Å; T269-L273 VanDerWaalsContact O-N 3.08Å; L270-L273 PolarHBondContact O-N 3.07Å; L273-G275 VanDerWaalsContact C-N 3.31Å; L273-G275 PolarHBondContact O-N 2.85Å; L273-E276 PolarHBondContact O-N 3.41Å; L273-G277 PolarHBondContact O-N 3.5Å; L273-F278 HydrophobicContact CB-CB 4.43Å; L273-F278 HydrophobicContact CB-CD2 4.05Å; L273-F278 HydrophobicContact CD2-CD2 3.75Å; L273-F278 HydrophobicContact CD2-CE2 3.75Å; L273-F278 WeakPolarHBondContact O-CB 3.4Å; L273-F278 WeakPolarHBondContact O-CD2 3.43Å; L273-F278 PolarHBondContact O-N 2.8Å; L273-F278 VanDerWaalsContact O-N 3.15Å; L273-V281 HydrophobicContact CB-CG2 4.39Å; L273-V281 HydrophobicContact CD1-CG2 4.12Å
274K95.8Very high95.3Very high117 Ų11743.4 Ų43.451%0.50927%0.272SS..Hα-helixtrans-60.9-41.6172.7-166.4173.1-174.1169.30111.8L270 S271 S272 G277 W477L270-K274 PolarHBondContact O-N 2.82Å; S271-K274 PolarHBondContact O-N 3.29Å; S272-K274 VanDerWaalsContact C-N 3.3Å; S272-K274 PolarHBondContact O-N 3.32Å; K274-G277 PolarHBondContact O-N 3.24Å; K274-G277 VanDerWaalsContact O-N 3.15Å; K274-W477 HydrophobicContact CB-CH2 3.74Å; K274-W477 HydrophobicContact CB-CZ2 4.1Å; K274-W477 HydrophobicContact CB-CZ3 4.08Å; K274-W477 HydrophobicContact CD-CH2 4.31Å; K274-W477 HydrophobicContact CD-CZ2 3.84Å; K274-W477 HydrophobicContact CG-CH2 4.36Å; K274-W477 HydrophobicContact CG-CZ2 4.37Å
275G96Very high95.6Very high71 Ų7144.2 Ų44.273%0.73227%0.271SS*.Hα-helixtrans-65.4-33.3175.400000114S271 S272 L273 G277S271-G275 PolarHBondContact O-N 3.3Å; S272-G275 CarbonylContact O-C 3.2Å; S272-G275 WeakPolarHBondContact O-CA 3.25Å; S272-G275 PolarHBondContact O-N 3.32Å; S272-G275 VanDerWaalsContact O-N 3.07Å; L273-G275 VanDerWaalsContact C-N 3.31Å; L273-G275 PolarHBondContact O-N 2.85Å; G275-G277 PolarHBondContact O-N 3.39Å
276E95.9Very high96Very high129 Ų12943.1 Ų43.160%0.60327%0.267SS*.THydrogen-bonded Turntrans-73.7-5.7173-71.4174.4-152.600113.2S272 L273 F278S272-E276 WeakPolarHBondContact O-CG 3.36Å; S272-E276 PolarHBondContact O-N 3.14Å; L273-E276 PolarHBondContact O-N 3.41Å; E276-F278 HydrophobicContact CB-CD2 4.09Å; E276-F278 HydrophobicContact CB-CE2 4.23Å
277G96.6Very high96.5Very high28 Ų2837.6 Ų37.629%0.28924%0.237SC..THydrogen-bonded Turntrans97.43.7173.100000115.3P191 L273 K274 G275 K279P191-G277 WeakPolarHBondContact CG-O 3.48Å; L273-G277 PolarHBondContact O-N 3.5Å; K274-G277 PolarHBondContact O-N 3.24Å; K274-G277 VanDerWaalsContact O-N 3.15Å; G275-G277 PolarHBondContact O-N 3.39Å; G277-K279 PolarHBondContact O-N 3.2Å
278F98.1Very high96.9Very high24 Ų2437.1 Ų37.111%0.10522%0.224CC..  trans-57.4129.4173.8-73.8-81.7000110.7P191 A193 F219 L273 E276P191-F278 HydrophobicContact CB-CD1 3.78Å; P191-F278 HydrophobicContact CB-CE1 3.99Å; P191-F278 HydrophobicContact CB-CG 4.45Å; A193-F278 HydrophobicContact CB-CD1 3.47Å; A193-F278 VanDerWaalsContact CB-CD1 3.47Å; A193-F278 HydrophobicContact CB-CD2 4.45Å; A193-F278 HydrophobicContact CB-CE1 3.66Å; A193-F278 HydrophobicContact CB-CG 3.91Å; A193-F278 HydrophobicContact CB-CZ 4.24Å; F219-F278 HydrophobicContact CE2-CE1 4.44Å; F219-F278 HydrophobicContact CE2-CE2 4.39Å; F219-F278 AromaticContact CE2-CZ 3.89Å; F219-F278 HydrophobicContact CE2-CZ 3.89Å; F219-F278 HydrophobicContact CZ-CE2 4.42Å; F219-F278 AromaticContact CZ-CZ 3.92Å; F219-F278 HydrophobicContact CZ-CZ 3.92Å; L273-F278 HydrophobicContact CB-CB 4.43Å; L273-F278 HydrophobicContact CB-CD2 4.05Å; L273-F278 HydrophobicContact CD2-CD2 3.75Å; L273-F278 HydrophobicContact CD2-CE2 3.75Å; L273-F278 WeakPolarHBondContact O-CB 3.4Å; L273-F278 WeakPolarHBondContact O-CD2 3.43Å; L273-F278 PolarHBondContact O-N 2.8Å; L273-F278 VanDerWaalsContact O-N 3.15Å; E276-F278 HydrophobicContact CB-CD2 4.09Å; E276-F278 HydrophobicContact CB-CE2 4.23Å
279K98.3Very high96.8Very high87 Ų8737.9 Ų37.938%0.37823%0.228SC..SBendtrans-90.1-29.9-176.2-60.8-53.9-176.4-178.80112.8A190 P191 G277 Y508 M509 L512A190-K279 HydrophobicContact CB-CB 4.47Å; A190-K279 HydrophobicContact CB-CG 3.96Å; P191-K279 PolarHBondContact O-N 3.12Å; G277-K279 PolarHBondContact O-N 3.2Å; K279-Y508 WeakPolarHBondContact O-CE1 3.47Å; K279-M509 HydrophobicContact CB-CE 3.83Å; K279-M509 HydrophobicContact CB-SD 3.58Å; K279-M509 VanDerWaalsContact CB-SD 3.58Å; K279-L512 HydrophobicContact CB-CD1 4.24Å
280A98.6Very high96.6Very high0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-140.4148.8173.800000111.1I192 A193 W477 I505 Y508 M509I192-A280 HydrophobicContact CG2-CB 4.46Å; A193-A280 PolarHBondContact N-O 3.06Å; A280-W477 CarbonylContact C-O 3.52Å; A280-W477 VanDerWaalsContact CA-O 3.3Å; A280-W477 WeakPolarHBondContact CA-O 3.32Å; A280-I505 HydrophobicContact CB-CG2 3.99Å; A280-Y508 HydrophobicContact CB-CD1 4.45Å; A280-M509 HydrophobicContact CB-CG 4.28Å; A280-M509 HydrophobicContact CB-SD 3.69Å
281V98.8Very high96.3Very high0 Ų039.6 Ų39.60%024%0.238CC..EExtended strand (participates in β ladder)trans-126.1134.5174.6176.20000110.2A193 I195 L270 L273 I283 W477 V478 F479A193-V281 HydrophobicContact CB-CG2 4.17Å; A193-V281 CarbonylContact O-C 3.56Å; A193-V281 VanDerWaalsContact O-CA 3.23Å; A193-V281 WeakPolarHBondContact O-CA 3.47Å; I195-V281 HydrophobicContact CG1-CG1 4.1Å; L270-V281 HydrophobicContact CD2-CB 4.27Å; L270-V281 HydrophobicContact CD2-CG1 3.71Å; L270-V281 HydrophobicContact CD2-CG2 4.4Å; L273-V281 HydrophobicContact CB-CG2 4.39Å; L273-V281 HydrophobicContact CD1-CG2 4.12Å; V281-I283 HydrophobicContact CG1-CG1 4.24Å; V281-W477 HydrophobicContact CB-CZ3 4.19Å; V281-W477 HydrophobicContact CG2-CE3 4.03Å; V281-W477 HydrophobicContact CG2-CH2 4.22Å; V281-W477 HydrophobicContact CG2-CZ3 3.4Å; V281-W477 VanDerWaalsContact CG2-CZ3 3.4Å; V281-W477 PolarHBondContact N-O 3.45Å; V281-V478 CarbonylContact O-C 3.52Å; V281-V478 WeakPolarHBondContact O-CA 3.27Å; V281-F479 PolarHBondContact O-N 3.13Å
282F98.9Very high96Very high0 Ų041 Ų410%023%0.232CC..EExtended strand (participates in β ladder)trans-111.1127.5166.6-180-95.4000110.8A193 L194 I195 A200 C204 F479 A501 I505A193-F282 PolarHBondContact O-N 2.97Å; L194-F282 CarbonylContact C-O 3.55Å; L194-F282 VanDerWaalsContact CA-O 3.3Å; L194-F282 WeakPolarHBondContact CA-O 3.36Å; L194-F282 HydrophobicContact CB-CB 4.38Å; L194-F282 HydrophobicContact CD2-CB 4Å; L194-F282 HydrophobicContact CD2-CD1 3.94Å; L194-F282 HydrophobicContact CD2-CG 4.25Å; L194-F282 HydrophobicContact CG-CB 3.92Å; I195-F282 PolarHBondContact N-O 3.41Å; A200-F282 HydrophobicContact CB-CE1 3.94Å; A200-F282 HydrophobicContact CB-CZ 3.94Å; C204-F282 HydrophobicContact CB-CD1 4.19Å; C204-F282 HydrophobicContact CB-CD2 4.44Å; C204-F282 HydrophobicContact CB-CE1 4.25Å; C204-F282 HydrophobicContact CB-CG 4.28Å; C204-F282 HydrophobicContact CB-CZ 4.41Å; F282-F479 CarbonylContact C-O 3.58Å; F282-F479 WeakPolarHBondContact CA-O 3.33Å; F282-F479 HydrophobicContact CD2-CB 3.97Å; F282-A501 HydrophobicContact CD2-CB 3.77Å; F282-A501 HydrophobicContact CE2-CB 3.52Å; F282-I505 HydrophobicContact CB-CD1 4.19Å; F282-I505 HydrophobicContact CD2-CD1 4.29Å
283I98.6Very high95.7Very high0 Ų040.8 Ų40.80%023%0.232CC..EExtended strand (participates in β ladder)trans-100107.7178.7-53.7175.6000108.7L263 L270 V281 I285 M453 V478 F479 A480 G481 V484L263-I283 HydrophobicContact CD1-CG2 4.31Å; L270-I283 HydrophobicContact CD1-CD1 4.28Å; L270-I283 HydrophobicContact CD2-CD1 4.31Å; V281-I283 HydrophobicContact CG1-CG1 4.24Å; I283-I285 HydrophobicContact CG2-CD1 4.35Å; I283-I285 HydrophobicContact CG2-CG1 4.02Å; I283-I285 HydrophobicContact CG2-CG2 4.32Å; I283-M453 HydrophobicContact CD1-CG 4.34Å; I283-M453 HydrophobicContact CD1-SD 4.21Å; I283-M453 HydrophobicContact CG2-SD 4.45Å; I283-V478 HydrophobicContact CD1-CG1 3.67Å; I283-V478 HydrophobicContact CG1-CG1 4.07Å; I283-F479 PolarHBondContact N-O 3.44Å; I283-A480 HydrophobicContact CB-CB 4Å; I283-A480 VanDerWaalsContact O-CA 3.3Å; I283-A480 WeakPolarHBondContact O-CA 3.23Å; I283-G481 PolarHBondContact O-N 3.47Å; I283-V484 HydrophobicContact CG2-CG1 4.38Å; I283-V484 WeakPolarHBondContact O-CG1 3.39Å
284G98Very high95.5Very high8 Ų849 Ų498%0.08227%0.27CS..  trans-127.840.117900000112.3I195 G286I195-G284 CarbonylContact O-C 3.46Å; I195-G284 WeakPolarHBondContact O-CA 3.3Å; I195-G284 PolarHBondContact O-N 2.92Å; G284-G286 PolarHBondContact O-N 3.31Å
285I97.3Very high95.5Very high38 Ų3846.7 Ų46.720%0.19526%0.263CS..  trans-77.3-5.9-17462.3172.5000114.5I195 I283 L444 V449 V484I195-I285 HydrophobicContact CB-CG2 3.91Å; I195-I285 HydrophobicContact CG2-CG2 3.39Å; I195-I285 WeakPolarHBondContact O-CG2 3.46Å; I195-I285 PolarHBondContact O-N 3.21Å; I283-I285 HydrophobicContact CG2-CD1 4.35Å; I283-I285 HydrophobicContact CG2-CG1 4.02Å; I283-I285 HydrophobicContact CG2-CG2 4.32Å; I285-L444 HydrophobicContact CD1-CD1 4.31Å; I285-V449 HydrophobicContact CD1-CG1 3.79Å; I285-V484 HydrophobicContact CD1-CG2 4.31Å; I285-V484 HydrophobicContact CG1-CB 4.29Å; I285-V484 HydrophobicContact CG1-CG2 3.82Å
286G96.1Very high95.5Very high15 Ų1543.3 Ų43.316%0.15523%0.228CC..  trans63.6-150.9-172.900000113.1G284 P288 V484G284-G286 PolarHBondContact O-N 3.31Å; G286-P288 WeakPolarHBondContact O-CD 3.38Å; G286-V484 WeakPolarHBondContact O-CB 3.42Å
287L96.1Very high95.2Very high43 Ų4344.8 Ų44.823%0.22524%0.235CC..  trans-11394.1174.9-65175.3000109.4Q289 K309 S442 M443 L444 T463 D483L287-Q289 PolarHBondContact O-N 2.91Å; L287-K309 WeakPolarHBondContact O-CE 3.38Å; L287-S442 VanDerWaalsContact O-CB 3.24Å; L287-S442 WeakPolarHBondContact O-CB 3.3Å; L287-M443 CarbonylContact C-O 3.52Å; L287-L444 HydrophobicContact CD2-CB 4.14Å; L287-T463 HydrophobicContact CD2-CG2 4.19Å; L287-D483 HydrophobicContact CD1-CB 4.21Å; L287-D483 HydrophobicContact CG-CB 3.94Å
288P93.2Very high95Very high47 Ų4746.5 Ų46.531%0.30525%0.252SS..  trans-75.9-24-163.7-17.531.6000115.1G286 L444G286-P288 WeakPolarHBondContact O-CD 3.38Å; P288-L444 HydrophobicContact CG-CD1 4.46Å
289Q93.6Very high94.8Very high34 Ų3446.5 Ų46.516%0.15925%0.253CS..EExtended strand (participates in β ladder)trans-101.4147.5-174-66.382.525.800112L287 S442 M443 N445 D446L287-Q289 PolarHBondContact O-N 2.91Å; Q289-S442 CarbonylContact O-C 3.56Å; Q289-S442 WeakPolarHBondContact O-CA 3.32Å; Q289-S442 VanDerWaalsContact O-CB 3.29Å; Q289-S442 WeakPolarHBondContact O-CB 3.16Å; Q289-M443 PolarHBondContact N-O 2.88Å; Q289-M443 VanDerWaalsContact N-O 3.09Å; Q289-M443 PolarHBondContact O-N 2.93Å; Q289-M443 PolarHBondContact OE1-O 3.05Å; Q289-N445 VanDerWaalsContact CB-OD1 3.25Å; Q289-N445 WeakPolarHBondContact CB-OD1 3.29Å; Q289-N445 VanDerWaalsContact CG-OD1 3.24Å; Q289-N445 WeakPolarHBondContact CG-OD1 3.17Å; Q289-D446 VanDerWaalsContact NE2-CB 3.33Å
290A93.2Very high94.7Very high20 Ų2045.3 Ų45.317%0.16525%0.253CS..EExtended strand (participates in β ladder)trans-73.2145.2173.300000111.9R292 T307 K309A290-R292 PolarHBondContact O-N 3.48Å; A290-T307 HydrophobicContact CB-CG2 3.88Å; A290-K309 HydrophobicContact CB-CB 4Å; A290-K309 HydrophobicContact CB-CG 3.91Å
291N90.8Very high94.5Very high57 Ų5748.7 Ų48.731%0.30527%0.273SS..  trans-75.2106164.5-171.90.6000109.9F440 G441 M443N291-F440 HydrophobicContact CB-CB 4.12Å; N291-G441 WeakPolarHBondContact CB-O 3.5Å; N291-G441 PolarHBondContact N-O 3.35Å; N291-M443 HydrophobicContact CB-CE 4.32Å; N291-M443 HydrophobicContact CB-CG 4.09Å; N291-M443 HydrophobicContact CB-SD 4.11Å
292R89.4Confident94.3Very high108 Ų10855.1 Ų55.141%0.40831%0.308SS..  trans-109.1122.3-177-170.4176-172.4153.12.5110.3A290 F296 L299A290-R292 PolarHBondContact O-N 3.48Å; R292-F296 HydrophobicContact CG-CB 4.45Å; R292-F296 VanDerWaalsContact CZ-O 3.3Å; R292-F296 PolarHBondContact NE-O 2.97Å; R292-F296 VanDerWaalsContact NE-O 3.08Å; R292-F296 PolarHBondContact NH2-O 3.48Å; R292-L299 PolarHBondContact NH2-O 2.77Å
293A90.9Very high94.2Very high30 Ų3057.7 Ų57.725%0.24832%0.32CS..  trans-74.8149.717300000111.7I295 F296 F440A293-I295 VanDerWaalsContact C-N 3.27Å; A293-I295 HydrophobicContact CB-CG1 4.11Å; A293-I295 PolarHBondContact O-N 2.88Å; A293-F296 HydrophobicContact CB-CD2 3.99Å; A293-F296 HydrophobicContact CB-CE2 4.2Å; A293-F296 PolarHBondContact O-N 2.91Å; A293-F440 HydrophobicContact CB-CD2 4.41Å; A293-F440 HydrophobicContact CB-CE2 3.99Å
294E92.3Very high94.1Very high174 Ų17457.7 Ų57.781%0.81332%0.32SS*.G310 helixtrans-57.6-37-177.7-65.6-177.516900113F296 Q297E294-F296 PolarHBondContact O-N 2.85Å; E294-Q297 VanDerWaalsContact O-CB 3.23Å; E294-Q297 WeakPolarHBondContact O-CB 3.43Å; E294-Q297 PolarHBondContact O-N 3.49Å
295I94.7Very high94.1Very high68 Ų6857.5 Ų57.535%0.34932%0.317SS..G310 helixtrans-59.2-17.4178.364.9170.1000113.8A293 P395A293-I295 VanDerWaalsContact C-N 3.27Å; A293-I295 HydrophobicContact CB-CG1 4.11Å; A293-I295 PolarHBondContact O-N 2.88Å; I295-P395 HydrophobicContact CD1-CB 3.55Å; I295-P395 HydrophobicContact CD1-CG 3.71Å
296F95.6Very high94.1Very high0 Ų056.5 Ų56.50%031%0.311CS..G310 helixtrans-103.59.4177.9-55-50.3000112.7R292 A293 E294 L299 F305 L340 P395 V398 L408 I436 F440R292-F296 HydrophobicContact CG-CB 4.45Å; R292-F296 VanDerWaalsContact CZ-O 3.3Å; R292-F296 PolarHBondContact NE-O 2.97Å; R292-F296 VanDerWaalsContact NE-O 3.08Å; R292-F296 PolarHBondContact NH2-O 3.48Å; A293-F296 HydrophobicContact CB-CD2 3.99Å; A293-F296 HydrophobicContact CB-CE2 4.2Å; A293-F296 PolarHBondContact O-N 2.91Å; E294-F296 PolarHBondContact O-N 2.85Å; F296-L299 HydrophobicContact CB-CD1 4.43Å; F296-L299 HydrophobicContact CD1-CD1 4.03Å; F296-L299 WeakPolarHBondContact O-CB 3.21Å; F296-L299 PolarHBondContact O-N 3.3Å; F296-F305 HydrophobicContact CB-CD2 4.38Å; F296-F305 HydrophobicContact CB-CE1 3.94Å; F296-F305 HydrophobicContact CB-CE2 3.64Å; F296-F305 HydrophobicContact CB-CZ 3.38Å; F296-F305 HydrophobicContact CD1-CD2 4.01Å; F296-F305 AromaticContact CD1-CE2 3.46Å; F296-F305 HydrophobicContact CD1-CE2 3.46Å; F296-F305 VanDerWaalsContact CD1-CE2 3.46Å; F296-F305 HydrophobicContact CD1-CZ 4.12Å; F296-F305 AromaticContact CD2-CE2 3.74Å; F296-F305 HydrophobicContact CD2-CE2 3.74Å; F296-F305 AromaticContact CD2-CZ 3.76Å; F296-F305 HydrophobicContact CD2-CZ 3.76Å; F296-F305 HydrophobicContact CE1-CE2 4.04Å; F296-F305 HydrophobicContact CE2-CE2 4.27Å; F296-F305 HydrophobicContact CG-CD2 4.21Å; F296-F305 HydrophobicContact CG-CE1 4.48Å; F296-F305 AromaticContact CG-CE2 3.31Å; F296-F305 HydrophobicContact CG-CE2 3.31Å; F296-F305 AromaticContact CG-CZ 3.49Å; F296-F305 HydrophobicContact CG-CZ 3.49Å; F296-F305 VanDerWaalsContact CG-CZ 3.49Å; F296-F305 HydrophobicContact CZ-CE2 4.42Å; F296-L340 HydrophobicContact CE1-CD1 4.29Å; F296-L340 HydrophobicContact CE2-CD1 3.73Å; F296-L340 HydrophobicContact CZ-CD1 3.28Å; F296-P395 HydrophobicContact CZ-CB 4.34Å; F296-P395 HydrophobicContact CZ-CG 4.48Å; F296-V398 HydrophobicContact CD1-CG2 3.68Å; F296-V398 HydrophobicContact CE1-CG2 3.65Å; F296-L408 HydrophobicContact CE1-CD1 4.43Å; F296-I436 HydrophobicContact CE1-CG2 4.28Å; F296-I436 HydrophobicContact CZ-CG2 4.44Å; F296-F440 AromaticContact CE2-CE2 3.94Å; F296-F440 HydrophobicContact CE2-CE2 3.94Å; F296-F440 HydrophobicContact CE2-CZ 4.37Å
297Q91.4Very high94.2Very high160 Ų16056 Ų5675%0.74831%0.305SS*.THydrogen-bonded Turntrans-65.4141.4178.2-165.5170.416.400110.9E294 L299E294-Q297 VanDerWaalsContact O-CB 3.23Å; E294-Q297 WeakPolarHBondContact O-CB 3.43Å; E294-Q297 PolarHBondContact O-N 3.49Å; Q297-L299 PolarHBondContact O-N 2.92Å; Q297-L299 VanDerWaalsContact O-N 3.16Å
298G90.7Very high94.2Very high63 Ų6354 Ų5465%0.64930%0.295SS*.THydrogen-bonded Turntrans77.4-11.7-178.900000115.8
299L95.4Very high94.4Very high24 Ų2453.5 Ų53.513%0.12629%0.288CS..  trans-73141.7177.2-118.7168.7000112.2R292 F296 Q297 F305 V398 M400R292-L299 PolarHBondContact NH2-O 2.77Å; F296-L299 HydrophobicContact CB-CD1 4.43Å; F296-L299 HydrophobicContact CD1-CD1 4.03Å; F296-L299 WeakPolarHBondContact O-CB 3.21Å; F296-L299 PolarHBondContact O-N 3.3Å; Q297-L299 PolarHBondContact O-N 2.92Å; Q297-L299 VanDerWaalsContact O-N 3.16Å; L299-F305 HydrophobicContact CB-CB 3.83Å; L299-F305 HydrophobicContact CB-CD1 3.95Å; L299-F305 HydrophobicContact CB-CG 3.86Å; L299-F305 HydrophobicContact CD1-CB 3.95Å; L299-F305 HydrophobicContact CD1-CD2 3.85Å; L299-F305 HydrophobicContact CD1-CG 3.88Å; L299-F305 HydrophobicContact CG-CB 3.83Å; L299-F305 HydrophobicContact CG-CG 4.14Å; L299-V398 HydrophobicContact CD1-CB 4.27Å; L299-V398 HydrophobicContact CD1-CG1 4.1Å; L299-V398 HydrophobicContact CD1-CG2 3.81Å; L299-M400 HydrophobicContact CD2-SD 4.21Å
300T95.6Very high94.4Very high62 Ų6255 Ų5538%0.3830%0.297SS..  trans-125.3165-173.662.80000112.9D302 Q303 G304 F305T300-D302 VanDerWaalsContact C-N 3.33Å; T300-D302 PolarHBondContact O-N 3.47Å; T300-Q303 WeakPolarHBondContact O-CB 3.33Å; T300-Q303 PolarHBondContact O-N 3.17Å; T300-Q303 VanDerWaalsContact OG1-CD 3.29Å; T300-Q303 VanDerWaalsContact OG1-CG 3.24Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.47Å; T300-Q303 PolarHBondContact OG1-OE1 2.98Å; T300-Q303 VanDerWaalsContact OG1-OE1 3.07Å; T300-G304 PolarHBondContact O-N 3.46Å; T300-F305 CarbonylContact C-O 3.56Å; T300-F305 PolarHBondContact O-N 3.15Å
301V94.5Very high94.6Very high71 Ų7154.1 Ų54.143%0.4329%0.289SS..THydrogen-bonded Turntrans-59.2-41.8175.8167.90000111.9Q303 G304 F305 F306V301-Q303 PolarHBondContact O-N 3.39Å; V301-G304 WeakPolarHBondContact O-CA 3.41Å; V301-G304 PolarHBondContact O-N 3.41Å; V301-F305 VanDerWaalsContact CA-O 3.31Å; V301-F305 WeakPolarHBondContact CA-O 3.37Å; V301-F305 PolarHBondContact N-O 2.87Å; V301-F306 HydrophobicContact CB-CE1 4.16Å; V301-F306 HydrophobicContact CB-CZ 4.49Å; V301-F306 HydrophobicContact CG1-CD1 4.26Å; V301-F306 HydrophobicContact CG1-CE1 3.42Å; V301-F306 VanDerWaalsContact CG1-CE1 3.42Å; V301-F306 HydrophobicContact CG1-CZ 3.62Å; V301-F306 HydrophobicContact CG2-CD1 3.87Å; V301-F306 HydrophobicContact CG2-CE1 3.88Å
302D93.7Very high95Very high136 Ų13651.5 Ų51.573%0.72728%0.276SS*.THydrogen-bonded Turntrans-63.6-32.3179.3-65.8-32.7000112.6T300 G304T300-D302 VanDerWaalsContact C-N 3.33Å; T300-D302 PolarHBondContact O-N 3.47Å; D302-G304 PolarHBondContact O-N 2.78Å
303Q96.8Very high95.3Very high54 Ų5447.5 Ų47.525%0.25226%0.264SS..THydrogen-bonded Turntrans-74.6-12.9174.9-68.6171.8-3500112.9T300 V301 M400 G403 I405T300-Q303 WeakPolarHBondContact O-CB 3.33Å; T300-Q303 PolarHBondContact O-N 3.17Å; T300-Q303 VanDerWaalsContact OG1-CD 3.29Å; T300-Q303 VanDerWaalsContact OG1-CG 3.24Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.47Å; T300-Q303 PolarHBondContact OG1-OE1 2.98Å; T300-Q303 VanDerWaalsContact OG1-OE1 3.07Å; V301-Q303 PolarHBondContact O-N 3.39Å; Q303-M400 HydrophobicContact CB-CE 4.07Å; Q303-M400 HydrophobicContact CG-CE 4.14Å; Q303-G403 WeakPolarHBondContact CG-O 3.35Å; Q303-I405 WeakPolarHBondContact O-CG1 3.22Å; Q303-I405 PolarHBondContact O-N 2.93Å
304G96.4Very high95.5Very high0 Ų049 Ų490%027%0.27CS..THydrogen-bonded Turntrans102.78.6179.400000114.7T300 V301 D302 Y435 I436T300-G304 PolarHBondContact O-N 3.46Å; V301-G304 WeakPolarHBondContact O-CA 3.41Å; V301-G304 PolarHBondContact O-N 3.41Å; D302-G304 PolarHBondContact O-N 2.78Å; G304-Y435 WeakPolarHBondContact O-CA 3.47Å; G304-I436 PolarHBondContact O-N 3.43Å
305F97.8Very high95.6Very high4 Ų440.9 Ų40.92%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-98.2132.9178.7-178.2-99.2000111.7F296 L299 T300 V301 T307 I405 I436F296-F305 HydrophobicContact CB-CD2 4.38Å; F296-F305 HydrophobicContact CB-CE1 3.94Å; F296-F305 HydrophobicContact CB-CE2 3.64Å; F296-F305 HydrophobicContact CB-CZ 3.38Å; F296-F305 HydrophobicContact CD1-CD2 4.01Å; F296-F305 AromaticContact CD1-CE2 3.46Å; F296-F305 HydrophobicContact CD1-CE2 3.46Å; F296-F305 VanDerWaalsContact CD1-CE2 3.46Å; F296-F305 HydrophobicContact CD1-CZ 4.12Å; F296-F305 AromaticContact CD2-CE2 3.74Å; F296-F305 HydrophobicContact CD2-CE2 3.74Å; F296-F305 AromaticContact CD2-CZ 3.76Å; F296-F305 HydrophobicContact CD2-CZ 3.76Å; F296-F305 HydrophobicContact CE1-CE2 4.04Å; F296-F305 HydrophobicContact CE2-CE2 4.27Å; F296-F305 HydrophobicContact CG-CD2 4.21Å; F296-F305 HydrophobicContact CG-CE1 4.48Å; F296-F305 AromaticContact CG-CE2 3.31Å; F296-F305 HydrophobicContact CG-CE2 3.31Å; F296-F305 AromaticContact CG-CZ 3.49Å; F296-F305 HydrophobicContact CG-CZ 3.49Å; F296-F305 VanDerWaalsContact CG-CZ 3.49Å; F296-F305 HydrophobicContact CZ-CE2 4.42Å; L299-F305 HydrophobicContact CB-CB 3.83Å; L299-F305 HydrophobicContact CB-CD1 3.95Å; L299-F305 HydrophobicContact CB-CG 3.86Å; L299-F305 HydrophobicContact CD1-CB 3.95Å; L299-F305 HydrophobicContact CD1-CD2 3.85Å; L299-F305 HydrophobicContact CD1-CG 3.88Å; L299-F305 HydrophobicContact CG-CB 3.83Å; L299-F305 HydrophobicContact CG-CG 4.14Å; T300-F305 CarbonylContact C-O 3.56Å; T300-F305 PolarHBondContact O-N 3.15Å; V301-F305 VanDerWaalsContact CA-O 3.31Å; V301-F305 WeakPolarHBondContact CA-O 3.37Å; V301-F305 PolarHBondContact N-O 2.87Å; F305-T307 HydrophobicContact CE1-CG2 4Å; F305-T307 HydrophobicContact CZ-CG2 4.31Å; F305-I405 HydrophobicContact CB-CD1 3.96Å; F305-I436 WeakPolarHBondContact CA-O 3.22Å; F305-I436 HydrophobicContact CD2-CB 4.02Å; F305-I436 HydrophobicContact CD2-CG2 3.97Å; F305-I436 HydrophobicContact CE2-CG2 3.98Å
306F97.9Very high95.6Very high16 Ų1637.8 Ų37.87%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-130.4147.8171.9-58.8-99000110.1V301 D310 F311 L333 Y435 I436 I437 S438V301-F306 HydrophobicContact CB-CE1 4.16Å; V301-F306 HydrophobicContact CB-CZ 4.49Å; V301-F306 HydrophobicContact CG1-CD1 4.26Å; V301-F306 HydrophobicContact CG1-CE1 3.42Å; V301-F306 VanDerWaalsContact CG1-CE1 3.42Å; V301-F306 HydrophobicContact CG1-CZ 3.62Å; V301-F306 HydrophobicContact CG2-CD1 3.87Å; V301-F306 HydrophobicContact CG2-CE1 3.88Å; F306-D310 HydrophobicContact CB-CB 4.45Å; F306-D310 HydrophobicContact CD1-CB 4.29Å; F306-F311 HydrophobicContact CB-CB 3.91Å; F306-F311 HydrophobicContact CD1-CB 4.11Å; F306-F311 HydrophobicContact CD1-CD2 4.21Å; F306-F311 HydrophobicContact CE1-CD2 4.42Å; F306-F311 HydrophobicContact CG-CB 4.2Å; F306-F311 HydrophobicContact CG-CD2 4.39Å; F306-L333 HydrophobicContact CE2-CD2 4.03Å; F306-L333 HydrophobicContact CZ-CD2 4.34Å; F306-Y435 HydrophobicContact CE2-CD1 4.08Å; F306-I436 PolarHBondContact N-O 3.41Å; F306-I437 HydrophobicContact CB-CG1 4.34Å; F306-I437 HydrophobicContact CB-CG2 4.4Å; F306-I437 HydrophobicContact CD2-CG1 4.48Å; F306-I437 CarbonylContact O-C 3.53Å; F306-I437 VanDerWaalsContact O-CA 3.29Å; F306-I437 WeakPolarHBondContact O-CA 3.41Å; F306-S438 PolarHBondContact O-N 2.79Å
307T97.8Very high95.5Very high6 Ų639.1 Ų39.14%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-87.9164.7150.272.20000109.7A290 F305 K309 D310 F311 S438A290-T307 HydrophobicContact CB-CG2 3.88Å; F305-T307 HydrophobicContact CE1-CG2 4Å; F305-T307 HydrophobicContact CZ-CG2 4.31Å; T307-K309 PolarHBondContact O-N 2.59Å; T307-K309 PolarHBondContact OG1-N 3.2Å; T307-D310 WeakPolarHBondContact CB-OD2 3.48Å; T307-D310 WeakPolarHBondContact CG2-OD2 3.45Å; T307-D310 PolarHBondContact N-OD2 3.42Å; T307-D310 PolarHBondContact O-N 3.2Å; T307-D310 PolarHBondContact OG1-N 2.69Å; T307-D310 PolarHBondContact OG1-OD2 2.99Å; T307-F311 PolarHBondContact O-N 3.2Å; T307-S438 CarbonylContact C-O 3.5Å; T307-S438 WeakPolarHBondContact CA-O 3.44Å
308S97.2Very high95.4Very high1 Ų132.3 Ų32.31%0.00720%0.196CC..Hα-helixtrans-58.3-34.1173.662.90000112.7D310 F311 L312 P313 T345 S438S308-D310 VanDerWaalsContact C-N 3.26Å; S308-D310 PolarHBondContact O-N 2.99Å; S308-F311 PolarHBondContact O-N 3.17Å; S308-L312 WeakPolarHBondContact O-CB 3.33Å; S308-L312 PolarHBondContact O-N 3.5Å; S308-P313 WeakPolarHBondContact O-CD 3.26Å; S308-T345 WeakPolarHBondContact OG-CG2 3.33Å; S308-S438 PolarHBondContact N-O 2.8Å
309K95.8Very high95.5Very high36 Ų3629.6 Ų29.616%0.15717%0.168CC..Hα-helixtrans-71.6-16.3176-69.3-83.6-179.3-78.40113.3E232 L287 A290 T307 P313 S442E232-K309 VanDerWaalsContact OE1-CD 3.23Å; E232-K309 WeakPolarHBondContact OE1-CD 3.26Å; E232-K309 WeakPolarHBondContact OE1-CE 3.3Å; E232-K309 IonicContact OE1-NZ 3.43Å; E232-K309 PolarHBondContact OE1-NZ 3.46Å; E232-K309 IonicContact OE2-NZ 3.13Å; E232-K309 PolarHBondContact OE2-NZ 2.83Å; L287-K309 WeakPolarHBondContact O-CE 3.38Å; A290-K309 HydrophobicContact CB-CB 4Å; A290-K309 HydrophobicContact CB-CG 3.91Å; T307-K309 PolarHBondContact O-N 2.59Å; T307-K309 PolarHBondContact OG1-N 3.2Å; K309-P313 WeakPolarHBondContact O-CD 3.37Å; K309-P313 WeakPolarHBondContact O-CG 3.21Å; K309-S442 VanDerWaalsContact CE-OG 3.29Å; K309-S442 WeakPolarHBondContact CE-OG 3.29Å; K309-S442 PolarHBondContact NZ-OG 3.01Å
310D94.9Very high95.3Very high66 Ų6628.6 Ų28.635%0.35316%0.162SC..Hα-helixtrans-90.3-41.1169.9-53.2-52.5000111F306 T307 S308 V314F306-D310 HydrophobicContact CB-CB 4.45Å; F306-D310 HydrophobicContact CD1-CB 4.29Å; T307-D310 WeakPolarHBondContact CB-OD2 3.48Å; T307-D310 WeakPolarHBondContact CG2-OD2 3.45Å; T307-D310 PolarHBondContact N-OD2 3.42Å; T307-D310 PolarHBondContact O-N 3.2Å; T307-D310 PolarHBondContact OG1-N 2.69Å; T307-D310 PolarHBondContact OG1-OD2 2.99Å; S308-D310 VanDerWaalsContact C-N 3.26Å; S308-D310 PolarHBondContact O-N 2.99Å; D310-V314 VanDerWaalsContact O-CG2 3.32Å; D310-V314 WeakPolarHBondContact O-CG2 3.15Å
311F97.9Very high94.7Very high0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-79.9-56.8-170-178.8-117.2000113.5F306 T307 S308 V314 V315 P331 L333 C349 A353 I437F306-F311 HydrophobicContact CB-CB 3.91Å; F306-F311 HydrophobicContact CD1-CB 4.11Å; F306-F311 HydrophobicContact CD1-CD2 4.21Å; F306-F311 HydrophobicContact CE1-CD2 4.42Å; F306-F311 HydrophobicContact CG-CB 4.2Å; F306-F311 HydrophobicContact CG-CD2 4.39Å; T307-F311 PolarHBondContact O-N 3.2Å; S308-F311 PolarHBondContact O-N 3.17Å; F311-V314 PolarHBondContact O-N 3.41Å; F311-V315 HydrophobicContact CD2-CG2 4.29Å; F311-V315 HydrophobicContact CE1-CG2 4.17Å; F311-V315 HydrophobicContact CE2-CG2 3.82Å; F311-V315 HydrophobicContact CZ-CG2 3.76Å; F311-V315 PolarHBondContact O-N 2.69Å; F311-P331 HydrophobicContact CE2-CB 4.25Å; F311-P331 HydrophobicContact CE2-CG 4.22Å; F311-L333 HydrophobicContact CE2-CD1 3.67Å; F311-L333 HydrophobicContact CE2-CG 4.45Å; F311-L333 HydrophobicContact CZ-CD1 3.85Å; F311-C349 HydrophobicContact CD1-CB 4.45Å; F311-A353 HydrophobicContact CE1-CB 4.5Å; F311-A353 HydrophobicContact CZ-CB 4.27Å; F311-I437 HydrophobicContact CB-CG2 4.29Å; F311-I437 HydrophobicContact CD1-CD1 3.73Å; F311-I437 HydrophobicContact CD1-CG2 4.36Å; F311-I437 HydrophobicContact CD2-CD1 4.26Å; F311-I437 HydrophobicContact CE1-CD1 3.75Å; F311-I437 HydrophobicContact CE2-CD1 4.31Å; F311-I437 HydrophobicContact CG-CD1 3.99Å; F311-I437 HydrophobicContact CZ-CD1 4.06Å
312L97.9Very high94.2Very high3 Ų330 Ų302%0.01617%0.173CC..Hα-helixtrans-63.7-41.4-172-65.6175.1000112.7S231 E232 S308 V314 V315 A316 T345 D348S231-L312 CarbonylContact O-C 3.45Å; E232-L312 HydrophobicContact CB-CB 4.19Å; E232-L312 HydrophobicContact CB-CD1 4.06Å; E232-L312 HydrophobicContact CG-CB 3.96Å; E232-L312 HydrophobicContact CG-CD1 4.28Å; S308-L312 WeakPolarHBondContact O-CB 3.33Å; S308-L312 PolarHBondContact O-N 3.5Å; L312-V314 VanDerWaalsContact C-N 3.27Å; L312-V314 PolarHBondContact O-N 3Å; L312-V315 PolarHBondContact O-N 2.87Å; L312-V315 VanDerWaalsContact O-N 3.16Å; L312-A316 WeakPolarHBondContact O-CB 3.36Å; L312-A316 PolarHBondContact O-N 3.39Å; L312-T345 HydrophobicContact CD1-CG2 4.12Å; L312-D348 HydrophobicContact CD1-CB 4.37Å; L312-D348 HydrophobicContact CD2-CB 4.37Å
313P96Very high93.8Very high24 Ų2423.8 Ų23.816%0.15614%0.139CC..Hα-helixtrans-60.1-32.7176.5-28.639.7000114.9S231 E232 S308 K309 S317S231-P313 WeakPolarHBondContact O-CA 3.43Å; E232-P313 HydrophobicContact CG-CG 4.27Å; S308-P313 WeakPolarHBondContact O-CD 3.26Å; K309-P313 WeakPolarHBondContact O-CD 3.37Å; K309-P313 WeakPolarHBondContact O-CG 3.21Å; P313-S317 VanDerWaalsContact O-CB 3.31Å; P313-S317 WeakPolarHBondContact O-CB 3.42Å; P313-S317 PolarHBondContact O-N 3.03Å; P313-S317 PolarHBondContact O-OG 3.18Å
314V94.2Very high92.5Very high62 Ų6223.1 Ų23.138%0.37614%0.14SC..Hα-helixtrans-73.2-42.4176.5-179.20000110.4D310 F311 L312 S317 A318 P331D310-V314 VanDerWaalsContact O-CG2 3.32Å; D310-V314 WeakPolarHBondContact O-CG2 3.15Å; F311-V314 PolarHBondContact O-N 3.41Å; L312-V314 VanDerWaalsContact C-N 3.27Å; L312-V314 PolarHBondContact O-N 3Å; V314-S317 PolarHBondContact O-N 2.58Å; V314-A318 WeakPolarHBondContact O-CB 3.41Å; V314-A318 PolarHBondContact O-N 2.75Å; V314-P331 HydrophobicContact CB-CG 4.3Å; V314-P331 HydrophobicContact CG1-CG 3.77Å
315V95.6Very high91.2Very high3 Ų332.9 Ų32.92%0.01819%0.186CC..Hα-helixtrans-62.2-44.3174.2177.60000111.2F61 F311 L312 A318 S319 L330 P331F61-V315 HydrophobicContact CE1-CG1 3.89Å; F61-V315 HydrophobicContact CZ-CG1 4.13Å; F311-V315 HydrophobicContact CD2-CG2 4.29Å; F311-V315 HydrophobicContact CE1-CG2 4.17Å; F311-V315 HydrophobicContact CE2-CG2 3.82Å; F311-V315 HydrophobicContact CZ-CG2 3.76Å; F311-V315 PolarHBondContact O-N 2.69Å; L312-V315 PolarHBondContact O-N 2.87Å; L312-V315 VanDerWaalsContact O-N 3.16Å; V315-A318 PolarHBondContact O-N 2.89Å; V315-S319 WeakPolarHBondContact O-CB 3.35Å; V315-S319 PolarHBondContact O-N 3.04Å; V315-S319 PolarHBondContact O-OG 3.48Å; V315-L330 HydrophobicContact CB-CD1 4.46Å; V315-L330 HydrophobicContact CG1-CD1 4.07Å; V315-L330 HydrophobicContact CG2-CD1 4.41Å; V315-P331 HydrophobicContact CG2-CG 4.08Å
316A94.9Very high89.7Confident3 Ų335.9 Ų35.93%0.02521%0.206CC..Hα-helixtrans-60-50.8175.800000110.7S231 L312 A318 S319 K320 M323S231-A316 WeakPolarHBondContact O-CB 3.46Å; L312-A316 WeakPolarHBondContact O-CB 3.36Å; L312-A316 PolarHBondContact O-N 3.39Å; A316-A318 PolarHBondContact O-N 2.97Å; A316-S319 PolarHBondContact O-N 3.04Å; A316-S319 VanDerWaalsContact O-N 3.1Å; A316-S319 PolarHBondContact O-OG 3.25Å; A316-K320 HydrophobicContact CB-CD 4.22Å; A316-K320 WeakPolarHBondContact O-CB 3.47Å; A316-K320 WeakPolarHBondContact O-CG 3.39Å; A316-K320 PolarHBondContact O-N 2.87Å; A316-M323 HydrophobicContact CB-CE 4.45Å; A316-M323 HydrophobicContact CB-SD 4.04Å
317S92.3Very high88.2Confident27 Ų2745.3 Ų45.319%0.18924%0.242CC..Hα-helixtrans-60.4-32.6179.3-58.70000113.1P313 V314 S328P313-S317 VanDerWaalsContact O-CB 3.31Å; P313-S317 WeakPolarHBondContact O-CB 3.42Å; P313-S317 PolarHBondContact O-N 3.03Å; P313-S317 PolarHBondContact O-OG 3.18Å; V314-S317 PolarHBondContact O-N 2.58Å; S317-S328 WeakPolarHBondContact CB-OG 3.3Å
318A90.9Very high87.3Confident17 Ų1747 Ų4714%0.1425%0.254CS..Hα-helixtrans-78.2-28.6177.300000113.5V314 V315 A316 S328 L330V314-A318 WeakPolarHBondContact O-CB 3.41Å; V314-A318 PolarHBondContact O-N 2.75Å; V315-A318 PolarHBondContact O-N 2.89Å; A316-A318 PolarHBondContact O-N 2.97Å; A318-S328 WeakPolarHBondContact CA-O 3.19Å; A318-S328 WeakPolarHBondContact CB-O 3.37Å; A318-L330 HydrophobicContact CB-CB 4.06Å; A318-L330 HydrophobicContact CB-CD1 3.99Å
319S91.1Very high86.8Confident6 Ų650.7 Ų50.74%0.04228%0.284CS..Hα-helixtrans-101.8-25.8-17457.70000114.4F61 V315 A316F61-S319 VanDerWaalsContact CE1-CB 3.48Å; V315-S319 WeakPolarHBondContact O-CB 3.35Å; V315-S319 PolarHBondContact O-N 3.04Å; V315-S319 PolarHBondContact O-OG 3.48Å; A316-S319 PolarHBondContact O-N 3.04Å; A316-S319 VanDerWaalsContact O-N 3.1Å; A316-S319 PolarHBondContact O-OG 3.25Å
320K91.5Very high86.6Confident3 Ų350 Ų501%0.01328%0.282CS..  trans-95.893.4-176.3-65.8-170.5170.8176.30111.3S229 T230 I233 Q235 Y240 A316 G322 M323S229-K320 PolarHBondContact O-NZ 3.18Å; T230-K320 WeakPolarHBondContact O-CD 3.37Å; T230-K320 PolarHBondContact O-NZ 3.06Å; I233-K320 WeakPolarHBondContact O-CE 3.44Å; I233-K320 PolarHBondContact O-NZ 3.48Å; Q235-K320 HydrophobicContact CB-CG 4.21Å; Y240-K320 HydrophobicContact CD2-CD 4.36Å; Y240-K320 HydrophobicContact CG-CB 4.23Å; A316-K320 HydrophobicContact CB-CD 4.22Å; A316-K320 WeakPolarHBondContact O-CB 3.47Å; A316-K320 WeakPolarHBondContact O-CG 3.39Å; A316-K320 PolarHBondContact O-N 2.87Å; K320-G322 PolarHBondContact O-N 3.4Å; K320-M323 HydrophobicContact CB-CB 3.94Å; K320-M323 HydrophobicContact CB-SD 4.32Å; K320-M323 HydrophobicContact CD-SD 4.33Å; K320-M323 WeakPolarHBondContact O-CB 3.41Å; K320-M323 PolarHBondContact O-N 3.07Å
321K83.8Confident86.5Confident109 Ų10947.8 Ų47.847%0.47427%0.271SS..THydrogen-bonded Turntrans-61.9127.9174.5-170-173.4177.7-1660109.7Y240 V906 D908Y240-K321 VanDerWaalsContact CD1-O 3.27Å; Y240-K321 WeakPolarHBondContact CD1-O 3.5Å; K321-V906 HydrophobicContact CB-CB 4.42Å; K321-V906 HydrophobicContact CB-CG1 4.31Å; K321-V906 HydrophobicContact CB-CG2 4.4Å; K321-V906 HydrophobicContact CD-CB 4.41Å; K321-V906 HydrophobicContact CD-CG1 4.47Å; K321-D908 IonicContact NZ-OD1 3.86Å; K321-D908 PolarHBondContact NZ-OD1 3.12Å
322G83.2Confident86.3Confident54 Ų5453.4 Ų53.456%0.55730%0.297SS*.THydrogen-bonded Turntrans99.2-16.1-179.600000114.8K320K320-G322 PolarHBondContact O-N 3.4Å
323M85.1Confident86.2Confident5 Ų553.3 Ų53.33%0.02530%0.297CS..SBendtrans-64.7-43.4178.4173.8179.416900112.8Y224 T230 Y240 A316 K320Y224-M323 VanDerWaalsContact CB-O 3.3Å; Y224-M323 WeakPolarHBondContact CB-O 3.33Å; Y224-M323 HydrophobicContact CD1-CE 3.59Å; Y224-M323 HydrophobicContact CD2-CE 4.12Å; Y224-M323 HydrophobicContact CE1-CE 3.65Å; Y224-M323 HydrophobicContact CE2-CE 4.19Å; Y224-M323 HydrophobicContact CG-CE 3.83Å; Y224-M323 HydrophobicContact CG-CG 4.24Å; T230-M323 HydrophobicContact CG2-CB 4.29Å; T230-M323 HydrophobicContact CG2-CE 3.93Å; T230-M323 HydrophobicContact CG2-CG 3.5Å; T230-M323 VanDerWaalsContact CG2-CG 3.5Å; T230-M323 HydrophobicContact CG2-SD 3.58Å; T230-M323 VanDerWaalsContact CG2-SD 3.58Å; Y240-M323 HydrophobicContact CD2-CB 4.34Å; Y240-M323 HydrophobicContact CE1-CB 4.49Å; Y240-M323 HydrophobicContact CE2-CB 4.18Å; A316-M323 HydrophobicContact CB-CE 4.45Å; A316-M323 HydrophobicContact CB-SD 4.04Å; K320-M323 HydrophobicContact CB-CB 3.94Å; K320-M323 HydrophobicContact CB-SD 4.32Å; K320-M323 HydrophobicContact CD-SD 4.33Å; K320-M323 WeakPolarHBondContact O-CB 3.41Å; K320-M323 PolarHBondContact O-N 3.07Å
324C70.4Confident86Confident40 Ų4059 Ų5927%0.2732%0.319SS..  trans-132.6149.4176.3-170.60000109.9C326C324-C326 HydrophobicContact CB-CB 4.35Å; C324-C326 WeakPolarHBondContact CB-SG 3.49Å; C324-C326 PolarHBondContact O-N 3.39Å; C324-C326 WeakPolarHBondContact SG-CB 3.32Å; C324-C326 PolarHBondContact SG-N 3.4Å; C324-C326 CovalentContact SG-SG 2.06Å; C324-C326 PolarHBondContact SG-SG 3.05Å
325Q68.5Low86.1Confident206 Ų20656.6 Ų56.696%0.96331%0.307SS*.SBendtrans-70.9-18.8167.3-66.7-175.8-5.900112.3
326C66.1Low86.2Confident66 Ų6657 Ų5745%0.44631%0.31SS..SBendtrans-75.8131.817560.70000110.9C324 S328C324-C326 HydrophobicContact CB-CB 4.35Å; C324-C326 WeakPolarHBondContact CB-SG 3.49Å; C324-C326 PolarHBondContact O-N 3.39Å; C324-C326 WeakPolarHBondContact SG-CB 3.32Å; C324-C326 PolarHBondContact SG-N 3.4Å; C324-C326 CovalentContact SG-SG 2.06Å; C324-C326 PolarHBondContact SG-SG 3.05Å; C326-S328 PolarHBondContact O-N 2.85Å
327R66.6Low86.4Confident215 Ų21556.9 Ų56.981%0.81131%0.309SS*.  trans-78.7107.8167.6-72.9-171.5-177.7-1722.4108.7D902R327-D902 IonicContact NH1-OD2 3.48Å; R327-D902 PolarHBondContact NH1-OD2 3.22Å
328S80.4Confident86.7Confident42 Ų4255.6 Ų55.629%0.29430%0.3SS..PPolyproline II helixtrans-91.4132.5173.6-66.10000110.3S317 A318 C326S317-S328 WeakPolarHBondContact CB-OG 3.3Å; A318-S328 WeakPolarHBondContact CA-O 3.19Å; A318-S328 WeakPolarHBondContact CB-O 3.37Å; C326-S328 PolarHBondContact O-N 2.85Å
329A86.7Confident87.1Confident78 Ų7854.8 Ų54.865%0.64529%0.293SS*.PPolyproline II helixtrans-76.9141.2172.500000110.5
330L90.8Very high87.4Confident22 Ų2254.7 Ų54.712%0.11529%0.292CS..PPolyproline II helixtrans-67.1134.8174.3-170.569.7000110.2F61 V315 A318 R355 R899F61-L330 HydrophobicContact CE2-CD1 4.43Å; F61-L330 HydrophobicContact CE2-CD2 4.35Å; F61-L330 HydrophobicContact CZ-CD1 3.83Å; F61-L330 HydrophobicContact CZ-CD2 4.33Å; V315-L330 HydrophobicContact CB-CD1 4.46Å; V315-L330 HydrophobicContact CG1-CD1 4.07Å; V315-L330 HydrophobicContact CG2-CD1 4.41Å; A318-L330 HydrophobicContact CB-CB 4.06Å; A318-L330 HydrophobicContact CB-CD1 3.99Å; L330-R355 WeakPolarHBondContact CD2-O 3.33Å; L330-R899 PolarHBondContact O-NH2 3.42Å
331P92.6Very high87.7Confident18 Ų1855 Ų5512%0.11730%0.296CS..PPolyproline II helixtrans-53143.2176.7-26.635.5000112.7F311 V314 V315 C356 R899F311-P331 HydrophobicContact CE2-CB 4.25Å; F311-P331 HydrophobicContact CE2-CG 4.22Å; V314-P331 HydrophobicContact CB-CG 4.3Å; V314-P331 HydrophobicContact CG1-CG 3.77Å; V315-P331 HydrophobicContact CG2-CG 4.08Å; P331-C356 HydrophobicContact CB-CB 4.4Å; P331-C356 VanDerWaalsContact O-CB 3.27Å; P331-C356 WeakPolarHBondContact O-CB 3.46Å; P331-R899 PolarHBondContact O-NH2 3.47Å
332E93.3Very high88.3Confident118 Ų11850.4 Ų50.455%0.55128%0.278SS*.  trans-100.794.4176.1-76.3-166.4-158.300110.8K334 Y435E332-K334 WeakPolarHBondContact OE2-CE 3.38Å; E332-K334 IonicContact OE2-NZ 3.94Å; E332-K334 PolarHBondContact OE2-NZ 3.07Å; E332-Y435 PolarHBondContact O-OH 3.26Å
333L95.3Very high88.9Confident2 Ų248.2 Ų48.21%0.0126%0.255CS..  trans-10088.8179.1-59.1-172.8000110.8F306 F311 V337 A353 C356 G357 A358 Y435F306-L333 HydrophobicContact CE2-CD2 4.03Å; F306-L333 HydrophobicContact CZ-CD2 4.34Å; F311-L333 HydrophobicContact CE2-CD1 3.67Å; F311-L333 HydrophobicContact CE2-CG 4.45Å; F311-L333 HydrophobicContact CZ-CD1 3.85Å; L333-V337 HydrophobicContact CB-CG2 4.3Å; L333-V337 HydrophobicContact CD1-CG2 4.06Å; L333-A353 HydrophobicContact CD1-CB 3.98Å; L333-C356 HydrophobicContact CB-CB 4.06Å; L333-C356 HydrophobicContact CD1-CB 3.91Å; L333-C356 HydrophobicContact CG-CB 3.74Å; L333-C356 PolarHBondContact N-O 2.82Å; L333-G357 CarbonylContact O-C 3.48Å; L333-A358 HydrophobicContact CB-CB 4.47Å; L333-A358 WeakPolarHBondContact O-CA 3.38Å; L333-A358 PolarHBondContact O-N 3.25Å; L333-A358 VanDerWaalsContact O-N 3.07Å; L333-Y435 HydrophobicContact CB-CD2 4.33Å; L333-Y435 HydrophobicContact CB-CE2 4.29Å; L333-Y435 HydrophobicContact CD2-CD1 3.53Å; L333-Y435 HydrophobicContact CD2-CD2 4.16Å; L333-Y435 HydrophobicContact CD2-CE1 3.64Å; L333-Y435 HydrophobicContact CD2-CE2 4.3Å; L333-Y435 HydrophobicContact CD2-CG 3.81Å
334K93.5Very high89.4Confident143 Ų14350.9 Ų50.962%0.62227%0.27SS*.  trans-94108.6177.2-67.6173-172149.80111.1E332 Y435E332-K334 WeakPolarHBondContact OE2-CE 3.38Å; E332-K334 IonicContact OE2-NZ 3.94Å; E332-K334 PolarHBondContact OE2-NZ 3.07Å; K334-Y435 WeakPolarHBondContact O-CE2 3.44Å
335G95.6Very high90.6Very high12 Ų1250.7 Ų50.712%0.12427%0.268CS..SBendtrans128.3-145.1176.500000113.7R359 R360 D434G335-R359 WeakPolarHBondContact O-CB 3.3Å; G335-R359 PolarHBondContact O-N 3.3Å; G335-R360 PolarHBondContact O-N 3.37Å; G335-D434 VanDerWaalsContact CA-OD2 3.31Å; G335-D434 WeakPolarHBondContact CA-OD2 3.4Å
336V98.1Very high92Very high12 Ų1240.9 Ų40.97%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-97.3129.3-178.4179.70000110.1R360 Y362 K432 A433 D434 Y435V336-R360 WeakPolarHBondContact CA-O 3.23Å; V336-R360 HydrophobicContact CG2-CB 4.47Å; V336-Y362 HydrophobicContact CG1-CD2 3.52Å; V336-Y362 HydrophobicContact CG1-CE2 3.5Å; V336-Y362 VanDerWaalsContact CG1-CE2 3.5Å; V336-K432 WeakPolarHBondContact CG1-O 3.47Å; V336-A433 HydrophobicContact CG1-CB 4.44Å; V336-D434 PolarHBondContact N-OD2 3.05Å; V336-D434 PolarHBondContact O-N 3Å; V336-Y435 PolarHBondContact O-N 3.29Å
337V98.7Very high93.6Very high0 Ų037.8 Ų37.80%020%0.2CC..EExtended strand (participates in β ladder)trans-109.4132.7176-176.80000109.3L333 V339 A353 A358 R360 V361 Y362 Y435 I437L333-V337 HydrophobicContact CB-CG2 4.3Å; L333-V337 HydrophobicContact CD1-CG2 4.06Å; V337-V339 HydrophobicContact CG1-CG2 4.17Å; V337-A353 HydrophobicContact CB-CB 4.48Å; V337-A353 HydrophobicContact CG1-CB 4.18Å; V337-A353 HydrophobicContact CG2-CB 4.33Å; V337-A358 HydrophobicContact CG2-CB 3.62Å; V337-R360 PolarHBondContact N-O 3.48Å; V337-V361 HydrophobicContact CB-CG2 4.34Å; V337-V361 WeakPolarHBondContact O-CA 3.27Å; V337-Y362 PolarHBondContact O-N 3.29Å; V337-Y435 HydrophobicContact CG2-CD2 4.16Å; V337-I437 HydrophobicContact CG1-CD1 3.71Å; V337-I437 HydrophobicContact CG1-CG1 3.96Å
338I98.8Very high95.1Very high0 Ų027.9 Ų27.90%016%0.164CC..EExtended strand (participates in β ladder)trans-102.1126.1165.7-67.7171.3000108.3L340 Y362 C364 L408 F410 L431 A433 Y435 I436 I437I338-L340 HydrophobicContact CG2-CD2 3.53Å; I338-L340 HydrophobicContact CG2-CG 4.04Å; I338-Y362 CarbonylContact C-O 3.56Å; I338-Y362 WeakPolarHBondContact CA-O 3.48Å; I338-C364 HydrophobicContact CG2-CB 4.47Å; I338-L408 HydrophobicContact CD1-CB 3.81Å; I338-L408 HydrophobicContact CD1-CD2 4.47Å; I338-L408 HydrophobicContact CG2-CD2 4.29Å; I338-F410 HydrophobicContact CD1-CE2 4.25Å; I338-F410 HydrophobicContact CD1-CZ 4.35Å; I338-F410 HydrophobicContact CG2-CZ 4.16Å; I338-L431 HydrophobicContact CD1-CB 4.09Å; I338-L431 HydrophobicContact CD1-CD2 3.62Å; I338-L431 HydrophobicContact CD1-CG 3.88Å; I338-L431 HydrophobicContact CG1-CD2 3.83Å; I338-L431 HydrophobicContact CG1-CG 4.39Å; I338-A433 HydrophobicContact CB-CB 4.5Å; I338-A433 HydrophobicContact CD1-CB 3.43Å; I338-A433 VanDerWaalsContact CD1-CB 3.43Å; I338-A433 HydrophobicContact CG1-CB 3.66Å; I338-Y435 PolarHBondContact N-O 3.16Å; I338-I436 HydrophobicContact CB-CG1 4.47Å; I338-I436 CarbonylContact O-C 3.03Å; I338-I436 WeakPolarHBondContact O-CA 3.31Å; I338-I437 PolarHBondContact O-N 3.01Å
339V98.8Very high95.9Very high0 Ų025.9 Ų25.90%015%0.15CC..EExtended strand (participates in β ladder)trans-107.5128.5169.3-175.10000108.6V337 A346 C349 A350 V361 Y362 V363 C364 I437 A439V337-V339 HydrophobicContact CG1-CG2 4.17Å; V339-A346 HydrophobicContact CG1-CB 4.12Å; V339-A346 WeakPolarHBondContact CG1-O 3.32Å; V339-C349 HydrophobicContact CG1-CB 3.77Å; V339-C349 HydrophobicContact CG2-CB 4.31Å; V339-A350 HydrophobicContact CG2-CB 4.21Å; V339-V361 HydrophobicContact CG2-CG1 3.94Å; V339-Y362 PolarHBondContact N-O 2.78Å; V339-V363 WeakPolarHBondContact O-CA 3.3Å; V339-C364 PolarHBondContact O-N 3.45Å; V339-I437 WeakPolarHBondContact CA-O 3.39Å; V339-I437 HydrophobicContact CG2-CB 4.31Å; V339-I437 HydrophobicContact CG2-CD1 4.36Å; V339-A439 HydrophobicContact CG1-CB 4.34Å
340L98.4Very high96.5Very high4 Ų422.2 Ų22.22%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-105.9112-176.4-58.1175.4000110.4F296 I338 C364 L408 F410 I436 I437 A439 F440F296-L340 HydrophobicContact CE1-CD1 4.29Å; F296-L340 HydrophobicContact CE2-CD1 3.73Å; F296-L340 HydrophobicContact CZ-CD1 3.28Å; I338-L340 HydrophobicContact CG2-CD2 3.53Å; I338-L340 HydrophobicContact CG2-CG 4.04Å; L340-C364 HydrophobicContact CD2-CB 3.99Å; L340-L408 HydrophobicContact CD1-CD2 3.97Å; L340-L408 HydrophobicContact CD2-CD2 3.91Å; L340-L408 HydrophobicContact CG-CD2 4.44Å; L340-F410 HydrophobicContact CD2-CE1 3.74Å; L340-F410 HydrophobicContact CD2-CZ 3.97Å; L340-I436 HydrophobicContact CD1-CG2 3.84Å; L340-I436 HydrophobicContact CG-CG2 4.33Å; L340-I437 PolarHBondContact N-O 3.09Å; L340-A439 CarbonylContact O-C 3.58Å; L340-A439 WeakPolarHBondContact O-CA 3.32Å; L340-A439 WeakPolarHBondContact O-CB 3.35Å; L340-A439 PolarHBondContact O-N 2.88Å; L340-F440 HydrophobicContact CB-CD1 4.42Å; L340-F440 HydrophobicContact CB-CE1 3.55Å; L340-F440 HydrophobicContact CB-CZ 3.81Å; L340-F440 HydrophobicContact CD1-CZ 4.08Å
341G97Very high96.9Very high10 Ų1021.2 Ų21.210%0.10311%0.114CC..  trans142.7171.9-179.600000113.1A346 V363 C364G341-A346 VanDerWaalsContact C-CB 3.45Å; G341-V363 WeakPolarHBondContact O-CG1 3.4Å; G341-C364 PolarHBondContact N-O 2.8Å
342A96.5Very high97.1Very high12 Ų1220.4 Ų20.410%0.09911%0.109CC..SBendtrans-146.226.4-178.700000113F365 I372 R373 A374A342-F365 HydrophobicContact CB-CB 3.82Å; A342-F365 HydrophobicContact CB-CD1 4.4Å; A342-F365 HydrophobicContact CB-CD2 4.48Å; A342-F365 HydrophobicContact CB-CG 4.01Å; A342-I372 HydrophobicContact CB-CG1 4.28Å; A342-R373 PolarHBondContact O-N 3.5Å; A342-A374 PolarHBondContact O-N 3.25Å
343G95.2Very high97.4Very high7 Ų714.8 Ų14.87%0.0728%0.083CC..SBendtrans-110.3179.4168.600000110.5T345 A346 F347G343-T345 VanDerWaalsContact C-N 3.26Å; G343-T345 PolarHBondContact O-N 2.73Å; G343-T345 VanDerWaalsContact O-N 3.15Å; G343-A346 WeakPolarHBondContact O-CA 3.27Å; G343-A346 VanDerWaalsContact O-CB 3.32Å; G343-A346 WeakPolarHBondContact O-CB 3.43Å; G343-A346 PolarHBondContact O-N 3.16Å; G343-F347 VanDerWaalsContact O-CD2 3.27Å; G343-F347 WeakPolarHBondContact O-CD2 3.37Å; G343-F347 PolarHBondContact O-N 2.59Å
344D95.6Very high97.5Very high61 Ų6115.2 Ų15.233%0.3269%0.085SC..Hα-helixtrans-48.7-47-174.8-57-7.3000112.6A346 F347 D348 A374D344-A346 PolarHBondContact O-N 2.61Å; D344-A346 VanDerWaalsContact O-N 3.11Å; D344-F347 PolarHBondContact O-N 2.74Å; D344-D348 PolarHBondContact O-N 2.99Å; D344-A374 VanDerWaalsContact OD1-CA 3.28Å; D344-A374 WeakPolarHBondContact OD1-CA 3.31Å; D344-A374 VanDerWaalsContact OD1-CB 3.22Å; D344-A374 WeakPolarHBondContact OD1-CB 3.18Å
345T96.6Very high97.7Very high37 Ų378.4 Ų8.423%0.2276%0.055CC..Hα-helixtrans-52.9-36.8176.8-47.90000113.2S308 L312 G343 C349 A439S308-T345 WeakPolarHBondContact OG-CG2 3.33Å; L312-T345 HydrophobicContact CD1-CG2 4.12Å; G343-T345 VanDerWaalsContact C-N 3.26Å; G343-T345 PolarHBondContact O-N 2.73Å; G343-T345 VanDerWaalsContact O-N 3.15Å; T345-C349 WeakPolarHBondContact O-CB 3.11Å; T345-C349 PolarHBondContact O-N 3.15Å; T345-C349 PolarHBondContact O-SG 3.46Å; T345-A439 HydrophobicContact CG2-CB 4.11Å
346A97.9Very high97.7Very high0 Ų07.9 Ų7.90%05%0.05CC..Hα-helixtrans-70.9-40.5179.800000111.6V339 G341 G343 D344 C349 A350 A439V339-A346 HydrophobicContact CG1-CB 4.12Å; V339-A346 WeakPolarHBondContact CG1-O 3.32Å; G341-A346 VanDerWaalsContact C-CB 3.45Å; G343-A346 WeakPolarHBondContact O-CA 3.27Å; G343-A346 VanDerWaalsContact O-CB 3.32Å; G343-A346 WeakPolarHBondContact O-CB 3.43Å; G343-A346 PolarHBondContact O-N 3.16Å; D344-A346 PolarHBondContact O-N 2.61Å; D344-A346 VanDerWaalsContact O-N 3.11Å; A346-C349 PolarHBondContact O-N 2.86Å; A346-A350 WeakPolarHBondContact O-CB 3.34Å; A346-A350 PolarHBondContact O-N 3.14Å; A346-A439 HydrophobicContact CB-CB 3.88Å
347F98.4Very high97.6Very high0 Ų08.5 Ų8.50%06%0.059CC..Hα-helixtrans-72.3-37.4178.7-64.2-80.8000111.8G343 D344 A350 T351 I372 A374 E378 M379 A382 F389G343-F347 VanDerWaalsContact O-CD2 3.27Å; G343-F347 WeakPolarHBondContact O-CD2 3.37Å; G343-F347 PolarHBondContact O-N 2.59Å; D344-F347 PolarHBondContact O-N 2.74Å; F347-A350 PolarHBondContact O-N 2.93Å; F347-T351 WeakPolarHBondContact O-CG2 3.49Å; F347-T351 PolarHBondContact O-N 3.34Å; F347-T351 PolarHBondContact O-OG1 3.3Å; F347-I372 HydrophobicContact CE2-CG2 3.79Å; F347-I372 HydrophobicContact CZ-CD1 4.37Å; F347-I372 HydrophobicContact CZ-CG2 3.69Å; F347-A374 HydrophobicContact CD2-CB 3.42Å; F347-A374 VanDerWaalsContact CD2-CB 3.42Å; F347-A374 HydrophobicContact CE2-CB 3.35Å; F347-A374 HydrophobicContact CZ-CB 4.43Å; F347-E378 HydrophobicContact CB-CG 3.97Å; F347-E378 HydrophobicContact CG-CG 4.47Å; F347-M379 HydrophobicContact CE1-CB 3.96Å; F347-M379 HydrophobicContact CE1-CG 3.76Å; F347-M379 HydrophobicContact CZ-CB 4.12Å; F347-M379 HydrophobicContact CZ-CG 4.07Å; F347-A382 HydrophobicContact CD1-CB 3.77Å; F347-F389 HydrophobicContact CD1-CE1 4.22Å; F347-F389 HydrophobicContact CE1-CD1 4.34Å; F347-F389 AromaticContact CE1-CE1 3.56Å; F347-F389 HydrophobicContact CE1-CE1 3.56Å; F347-F389 HydrophobicContact CE1-CZ 4.34Å
348D98.4Very high97.5Very high8 Ų89.1 Ų9.14%0.0436%0.063CC..Hα-helixtrans-62.7-42.5170.4-82-34.2000111.9P234 R237 L312 D344 A350 T351 S352P234-D348 WeakPolarHBondContact CD-OD1 3.39Å; P234-D348 HydrophobicContact CG-CB 3.91Å; P234-D348 WeakPolarHBondContact CG-OD1 3.44Å; R237-D348 IonicContact CZ-OD1 3.25Å; R237-D348 VanDerWaalsContact CZ-OD1 3.3Å; R237-D348 IonicContact CZ-OD2 2.64Å; R237-D348 IonicContact NE-OD1 3.3Å; R237-D348 PolarHBondContact NE-OD1 3.47Å; R237-D348 IonicContact NE-OD2 3.28Å; R237-D348 VanDerWaalsContact NH2-CG 3.32Å; R237-D348 IonicContact NH2-OD1 3.65Å; R237-D348 PolarHBondContact NH2-OD1 2.88Å; R237-D348 VanDerWaalsContact NH2-OD1 3.16Å; R237-D348 IonicContact NH2-OD2 2.92Å; R237-D348 PolarHBondContact NH2-OD2 3.36Å; L312-D348 HydrophobicContact CD1-CB 4.37Å; L312-D348 HydrophobicContact CD2-CB 4.37Å; D344-D348 PolarHBondContact O-N 2.99Å; D348-A350 VanDerWaalsContact C-N 3.31Å; D348-A350 PolarHBondContact O-N 2.71Å; D348-T351 PolarHBondContact O-OG1 3.43Å; D348-S352 WeakPolarHBondContact O-CB 3.25Å; D348-S352 PolarHBondContact O-N 3.03Å; D348-S352 PolarHBondContact O-OG 3.41Å
349C98.6Very high97.3Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-60.4-43.1173.2-720000111.3F311 V339 T345 A346 A353 I437F311-C349 HydrophobicContact CD1-CB 4.45Å; V339-C349 HydrophobicContact CG1-CB 3.77Å; V339-C349 HydrophobicContact CG2-CB 4.31Å; T345-C349 WeakPolarHBondContact O-CB 3.11Å; T345-C349 PolarHBondContact O-N 3.15Å; T345-C349 PolarHBondContact O-SG 3.46Å; A346-C349 PolarHBondContact O-N 2.86Å; C349-A353 WeakPolarHBondContact O-CB 3.12Å; C349-A353 PolarHBondContact O-N 3.47Å; C349-I437 HydrophobicContact CB-CG2 4.01Å
350A98.5Very high97.2Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-65.1-49.8-177.100000112.4V339 A346 F347 D348 A353 L354 V361 V363V339-A350 HydrophobicContact CG2-CB 4.21Å; A346-A350 WeakPolarHBondContact O-CB 3.34Å; A346-A350 PolarHBondContact O-N 3.14Å; F347-A350 PolarHBondContact O-N 2.93Å; D348-A350 VanDerWaalsContact C-N 3.31Å; D348-A350 PolarHBondContact O-N 2.71Å; A350-A353 WeakPolarHBondContact O-CB 3.13Å; A350-A353 PolarHBondContact O-N 3Å; A350-L354 PolarHBondContact O-N 3.39Å; A350-V361 HydrophobicContact CB-CG1 3.82Å; A350-V363 HydrophobicContact CB-CG2 3.68Å
351T98.3Very high97.2Very high1 Ų121.7 Ų21.71%0.00611%0.111CC..Hα-helixtrans-69.1-35.617953.80000111.9F236 F347 D348 L354 R355 A382 E385F236-T351 WeakPolarHBondContact CZ-OG1 3.46Å; F347-T351 WeakPolarHBondContact O-CG2 3.49Å; F347-T351 PolarHBondContact O-N 3.34Å; F347-T351 PolarHBondContact O-OG1 3.3Å; D348-T351 PolarHBondContact O-OG1 3.43Å; T351-L354 WeakPolarHBondContact O-CB 3.24Å; T351-L354 PolarHBondContact O-N 3.39Å; T351-R355 WeakPolarHBondContact O-CD 3.47Å; T351-R355 PolarHBondContact O-NH1 3.11Å; T351-A382 HydrophobicContact CG2-CB 4.05Å; T351-E385 WeakPolarHBondContact CG2-OE2 3.44Å
352S98.5Very high97.3Very high1 Ų122.5 Ų22.51%0.00711%0.111CC..Hα-helixtrans-68.4-33174.3-63.80000113D348 L354 R355 C356D348-S352 WeakPolarHBondContact O-CB 3.25Å; D348-S352 PolarHBondContact O-N 3.03Å; D348-S352 PolarHBondContact O-OG 3.41Å; S352-L354 VanDerWaalsContact C-N 3.28Å; S352-L354 PolarHBondContact O-N 3.43Å; S352-R355 WeakPolarHBondContact O-CB 3.49Å; S352-R355 PolarHBondContact O-N 3.34Å; S352-R355 VanDerWaalsContact O-N 3.12Å; S352-C356 PolarHBondContact O-N 2.64Å; S352-C356 VanDerWaalsContact O-N 3.13Å; S352-C356 PolarHBondContact O-SG 3.47Å
353A98.4Very high97.4Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-61.9-36.6174.800000112.1F311 L333 V337 C349 A350 R355 C356 G357 A358 V361 I437F311-A353 HydrophobicContact CE1-CB 4.5Å; F311-A353 HydrophobicContact CZ-CB 4.27Å; L333-A353 HydrophobicContact CD1-CB 3.98Å; V337-A353 HydrophobicContact CB-CB 4.48Å; V337-A353 HydrophobicContact CG1-CB 4.18Å; V337-A353 HydrophobicContact CG2-CB 4.33Å; C349-A353 WeakPolarHBondContact O-CB 3.12Å; C349-A353 PolarHBondContact O-N 3.47Å; A350-A353 WeakPolarHBondContact O-CB 3.13Å; A350-A353 PolarHBondContact O-N 3Å; A353-R355 VanDerWaalsContact C-N 3.32Å; A353-R355 PolarHBondContact O-N 3.49Å; A353-C356 WeakPolarHBondContact O-CB 3.4Å; A353-C356 PolarHBondContact O-N 3.28Å; A353-C356 VanDerWaalsContact O-N 3.15Å; A353-G357 PolarHBondContact O-N 3.15Å; A353-A358 HydrophobicContact CB-CB 4.23Å; A353-A358 WeakPolarHBondContact O-CB 3.46Å; A353-A358 PolarHBondContact O-N 2.76Å; A353-A358 VanDerWaalsContact O-N 3.11Å; A353-V361 HydrophobicContact CB-CG2 4.03Å; A353-I437 HydrophobicContact CB-CD1 4.38Å
354L97.9Very high97.6Very high11 Ų1121.7 Ų21.76%0.05810%0.103CC..Hα-helixtrans-62.7-38.4173.6-63173.5000111.8L57 A350 T351 S352 C356 G357 V361 E385L57-L354 HydrophobicContact CB-CB 4.45Å; L57-L354 HydrophobicContact CD1-CD1 4.31Å; A350-L354 PolarHBondContact O-N 3.39Å; T351-L354 WeakPolarHBondContact O-CB 3.24Å; T351-L354 PolarHBondContact O-N 3.39Å; S352-L354 VanDerWaalsContact C-N 3.28Å; S352-L354 PolarHBondContact O-N 3.43Å; L354-C356 VanDerWaalsContact C-N 3.25Å; L354-C356 PolarHBondContact O-N 3.43Å; L354-G357 PolarHBondContact O-N 3.38Å; L354-G357 VanDerWaalsContact O-N 3.1Å; L354-V361 HydrophobicContact CD2-CG2 3.68Å; L354-V361 HydrophobicContact CG-CG2 4Å; L354-E385 HydrophobicContact CD1-CB 3.73Å
355R97Very high97.6Very high1 Ų119.3 Ų19.30%0.0049%0.09CC..Hα-helixtrans-65.3-30.7174.9-83.868.5-179.7176.44.4112.2L57 E58 N59 N60 F61 F236 L330 T351 S352 A353 G357 E385L57-R355 WeakPolarHBondContact O-CA 3.42Å; E58-R355 CarbonylContact C-O 3.58Å; E58-R355 WeakPolarHBondContact CA-O 3.49Å; N59-R355 PolarHBondContact N-O 3.48Å; N60-R355 WeakPolarHBondContact O-CG 3.44Å; N60-R355 PolarHBondContact O-NE 3.31Å; F61-R355 HydrophobicContact CD1-CG 4.25Å; F61-R355 HydrophobicContact CE1-CB 4.05Å; F61-R355 HydrophobicContact CE1-CG 3.91Å; F61-R355 HydrophobicContact CE2-CB 4.43Å; F61-R355 HydrophobicContact CE2-CG 4.41Å; F61-R355 HydrophobicContact CZ-CB 3.8Å; F61-R355 HydrophobicContact CZ-CG 4Å; F236-R355 HydrophobicContact CD1-CG 4.43Å; F236-R355 HydrophobicContact CE1-CG 4.29Å; L330-R355 WeakPolarHBondContact CD2-O 3.33Å; T351-R355 WeakPolarHBondContact O-CD 3.47Å; T351-R355 PolarHBondContact O-NH1 3.11Å; S352-R355 WeakPolarHBondContact O-CB 3.49Å; S352-R355 PolarHBondContact O-N 3.34Å; S352-R355 VanDerWaalsContact O-N 3.12Å; A353-R355 VanDerWaalsContact C-N 3.32Å; A353-R355 PolarHBondContact O-N 3.49Å; R355-G357 PolarHBondContact O-N 3.44Å; R355-E385 IonicContact CZ-OE1 2.7Å; R355-E385 VanDerWaalsContact CZ-OE1 3.23Å; R355-E385 IonicContact CZ-OE2 2.64Å; R355-E385 IonicContact NH1-OE1 3.55Å; R355-E385 PolarHBondContact NH1-OE1 3.01Å; R355-E385 IonicContact NH1-OE2 2.67Å; R355-E385 PolarHBondContact NH1-OE2 2.64Å; R355-E385 IonicContact NH2-OE1 3.59Å; R355-E385 PolarHBondContact NH2-OE1 2.56Å; R355-E385 IonicContact NH2-OE2 3.95Å
356C96.5Very high97.6Very high1 Ų125.5 Ų25.51%0.00711%0.109CC..THydrogen-bonded Turntrans-75.4-7.8176.2-62.50000113.6P331 L333 S352 A353 L354 R899P331-C356 HydrophobicContact CB-CB 4.4Å; P331-C356 VanDerWaalsContact O-CB 3.27Å; P331-C356 WeakPolarHBondContact O-CB 3.46Å; L333-C356 HydrophobicContact CB-CB 4.06Å; L333-C356 HydrophobicContact CD1-CB 3.91Å; L333-C356 HydrophobicContact CG-CB 3.74Å; L333-C356 PolarHBondContact N-O 2.82Å; S352-C356 PolarHBondContact O-N 2.64Å; S352-C356 VanDerWaalsContact O-N 3.13Å; S352-C356 PolarHBondContact O-SG 3.47Å; A353-C356 WeakPolarHBondContact O-CB 3.4Å; A353-C356 PolarHBondContact O-N 3.28Å; A353-C356 VanDerWaalsContact O-N 3.15Å; L354-C356 VanDerWaalsContact C-N 3.25Å; L354-C356 PolarHBondContact O-N 3.43Å; C356-R899 PolarHBondContact O-NH1 2.98Å
357G95.2Very high97.5Very high25 Ų2528.8 Ų28.826%0.25812%0.124SC..THydrogen-bonded Turntrans104.112.917800000114.9L333 A353 L354 R355 R359L333-G357 CarbonylContact O-C 3.48Å; A353-G357 PolarHBondContact O-N 3.15Å; L354-G357 PolarHBondContact O-N 3.38Å; L354-G357 VanDerWaalsContact O-N 3.1Å; R355-G357 PolarHBondContact O-N 3.44Å; G357-R359 PolarHBondContact O-N 3.15Å
358A96.8Very high97.4Very high12 Ų1228.9 Ų28.910%0.09912%0.124CC..  trans-55.8133.6177.900000111.1L333 V337 A353 V361L333-A358 HydrophobicContact CB-CB 4.47Å; L333-A358 WeakPolarHBondContact O-CA 3.38Å; L333-A358 PolarHBondContact O-N 3.25Å; L333-A358 VanDerWaalsContact O-N 3.07Å; V337-A358 HydrophobicContact CG2-CB 3.62Å; A353-A358 HydrophobicContact CB-CB 4.23Å; A353-A358 WeakPolarHBondContact O-CB 3.46Å; A353-A358 PolarHBondContact O-N 2.76Å; A353-A358 VanDerWaalsContact O-N 3.11Å; A358-V361 HydrophobicContact CB-CG2 3.91Å
359R95.4Very high97.3Very high172 Ų17233.1 Ų33.165%0.64914%0.143SC*.SBendtrans-76.5-34.1178.1-177.2178.559.975.5-0.7111.5G335 G357G335-R359 WeakPolarHBondContact O-CB 3.3Å; G335-R359 PolarHBondContact O-N 3.3Å; G357-R359 PolarHBondContact O-N 3.15Å
360R96.7Very high97.1Very high96 Ų9639.6 Ų39.636%0.36218%0.182SC..EExtended strand (participates in β ladder)trans-154.5144179.5-164177.6-167.1174.54.7109.2G335 V336 V337 Y362 E388G335-R360 PolarHBondContact O-N 3.37Å; V336-R360 WeakPolarHBondContact CA-O 3.23Å; V336-R360 HydrophobicContact CG2-CB 4.47Å; V337-R360 PolarHBondContact N-O 3.48Å; R360-Y362 HydrophobicContact CG-CE2 4.33Å; R360-Y362 PolarHBondContact NE-OH 3.07Å; R360-Y362 PolarHBondContact NH1-OH 3.29Å; R360-E388 IonicContact CZ-OE1 3.77Å; R360-E388 IonicContact CZ-OE2 2.69Å; R360-E388 VanDerWaalsContact CZ-OE2 3.23Å; R360-E388 VanDerWaalsContact NE-CD 3.28Å; R360-E388 IonicContact NE-OE1 2.9Å; R360-E388 PolarHBondContact NE-OE1 2.84Å; R360-E388 IonicContact NE-OE2 3.74Å; R360-E388 PolarHBondContact NE-OE2 3.39Å; R360-E388 IonicContact NH2-OE1 3.94Å; R360-E388 PolarHBondContact NH2-OE1 3.36Å; R360-E388 IonicContact NH2-OE2 3.27Å; R360-E388 PolarHBondContact NH2-OE2 2.95Å
361V98.4Very high97Very high1 Ų142.3 Ų42.31%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-126127.7178.4-178.20000109.2V337 V339 A350 A353 L354 A358 E388V337-V361 HydrophobicContact CB-CG2 4.34Å; V337-V361 WeakPolarHBondContact O-CA 3.27Å; V339-V361 HydrophobicContact CG2-CG1 3.94Å; A350-V361 HydrophobicContact CB-CG1 3.82Å; A353-V361 HydrophobicContact CB-CG2 4.03Å; L354-V361 HydrophobicContact CD2-CG2 3.68Å; L354-V361 HydrophobicContact CG-CG2 4Å; A358-V361 HydrophobicContact CB-CG2 3.91Å; V361-E388 PolarHBondContact O-N 3.21Å
362Y98.5Very high96.9Very high26 Ų2643.6 Ų43.610%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-105.7125.9169.9-67.6-79000109.4V336 V337 I338 V339 R360 E388 L390 L431V336-Y362 HydrophobicContact CG1-CD2 3.52Å; V336-Y362 HydrophobicContact CG1-CE2 3.5Å; V336-Y362 VanDerWaalsContact CG1-CE2 3.5Å; V337-Y362 PolarHBondContact O-N 3.29Å; I338-Y362 CarbonylContact C-O 3.56Å; I338-Y362 WeakPolarHBondContact CA-O 3.48Å; V339-Y362 PolarHBondContact N-O 2.78Å; R360-Y362 HydrophobicContact CG-CE2 4.33Å; R360-Y362 PolarHBondContact NE-OH 3.07Å; R360-Y362 PolarHBondContact NH1-OH 3.29Å; Y362-E388 CarbonylContact C-O 3.46Å; Y362-E388 WeakPolarHBondContact CA-O 3.37Å; Y362-E388 HydrophobicContact CD1-CB 3.65Å; Y362-E388 HydrophobicContact CE1-CB 3.91Å; Y362-E388 WeakPolarHBondContact CE1-OE2 3.08Å; Y362-L390 HydrophobicContact CD1-CD1 3.52Å; Y362-L390 HydrophobicContact CD1-CG 3.94Å; Y362-L390 HydrophobicContact CE1-CD1 4.05Å; Y362-L390 HydrophobicContact CG-CD1 4.13Å; Y362-L431 HydrophobicContact CD1-CD2 4.46Å; Y362-L431 HydrophobicContact CD2-CD1 4.42Å; Y362-L431 HydrophobicContact CD2-CD2 4.08Å; Y362-L431 HydrophobicContact CD2-CG 4.49Å; Y362-L431 HydrophobicContact CE2-CD1 4.12Å; Y362-L431 HydrophobicContact CG-CD2 4Å
363V98.5Very high96.7Very high0 Ų052 Ų520%024%0.235CC..EExtended strand (participates in β ladder)trans-98.7104.6169.3-174.30000107.1V339 G341 A350 F365 C387 E388 F389 L390V339-V363 WeakPolarHBondContact O-CA 3.3Å; G341-V363 WeakPolarHBondContact O-CG1 3.4Å; A350-V363 HydrophobicContact CB-CG2 3.68Å; V363-F365 HydrophobicContact CG1-CD1 4.23Å; V363-F365 WeakPolarHBondContact O-CD1 3.48Å; V363-F365 WeakPolarHBondContact O-CE1 3.11Å; V363-C387 HydrophobicContact CG2-CB 4.28Å; V363-E388 PolarHBondContact N-O 3.3Å; V363-F389 HydrophobicContact CB-CD1 3.85Å; V363-F389 HydrophobicContact CB-CE1 4.13Å; V363-F389 HydrophobicContact CG1-CD1 4.3Å; V363-F389 HydrophobicContact CG2-CD1 4.31Å; V363-F389 HydrophobicContact CG2-CE1 4.11Å; V363-F389 WeakPolarHBondContact O-CA 3.37Å; V363-L390 PolarHBondContact O-N 3.11Å
364C98.4Very high96.4Very high2 Ų252.4 Ų52.41%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-102.9136.5-178.4-55.30000110.3I338 V339 L340 G341 L390 L393 F410I338-C364 HydrophobicContact CG2-CB 4.47Å; V339-C364 PolarHBondContact O-N 3.45Å; L340-C364 HydrophobicContact CD2-CB 3.99Å; G341-C364 PolarHBondContact N-O 2.8Å; C364-L390 WeakPolarHBondContact CA-O 3.46Å; C364-L393 HydrophobicContact CB-CD1 4.43Å; C364-F410 HydrophobicContact CB-CE1 4Å; C364-F410 HydrophobicContact CB-CZ 4Å
365F97Very high96.2Very high11 Ų1152.7 Ų52.75%0.04824%0.24CC..  trans-146.6145.6-179.144.6-84.4000112.2A342 V363 K367 F369 I372 F389 L390 P391 F392 L393A342-F365 HydrophobicContact CB-CB 3.82Å; A342-F365 HydrophobicContact CB-CD1 4.4Å; A342-F365 HydrophobicContact CB-CD2 4.48Å; A342-F365 HydrophobicContact CB-CG 4.01Å; V363-F365 HydrophobicContact CG1-CD1 4.23Å; V363-F365 WeakPolarHBondContact O-CD1 3.48Å; V363-F365 WeakPolarHBondContact O-CE1 3.11Å; F365-K367 WeakPolarHBondContact CD2-O 3.27Å; F365-K367 PolarHBondContact O-N 3.03Å; F365-K367 VanDerWaalsContact O-N 3.11Å; F365-F369 HydrophobicContact CZ-CD1 4.38Å; F365-F369 HydrophobicContact CZ-CD2 4.4Å; F365-F369 HydrophobicContact CZ-CE1 4.45Å; F365-F369 HydrophobicContact CZ-CE2 4.47Å; F365-F369 HydrophobicContact CZ-CG 4.38Å; F365-I372 HydrophobicContact CE2-CG1 4.34Å; F365-I372 HydrophobicContact CZ-CD1 4.28Å; F365-I372 HydrophobicContact CZ-CG1 4.42Å; F365-F389 HydrophobicContact CE1-CB 4Å; F365-F389 HydrophobicContact CE1-CD1 4.28Å; F365-F389 HydrophobicContact CZ-CB 4.24Å; F365-L390 PolarHBondContact N-O 3.49Å; F365-L390 VanDerWaalsContact N-O 3.11Å; F365-P391 HydrophobicContact CD2-CB 4.14Å; F365-P391 HydrophobicContact CE2-CB 3.47Å; F365-P391 VanDerWaalsContact CE2-CB 3.47Å; F365-P391 HydrophobicContact CZ-CB 3.88Å; F365-P391 CarbonylContact O-C 3.57Å; F365-F392 PolarHBondContact O-N 3.3Å; F365-L393 CarbonylContact C-O 3.58Å; F365-L393 PolarHBondContact O-N 2.9Å
366R96.1Very high96.2Very high168 Ų16856.5 Ų56.563%0.63427%0.265SS*.SBendtrans-74.95.4-171.371.3178.4179.9169.2-0.6115.8L393 T413R366-L393 VanDerWaalsContact CA-O 3.25Å; R366-L393 WeakPolarHBondContact CA-O 3.42Å; R366-L393 PolarHBondContact N-O 3.37Å; R366-T413 HydrophobicContact CB-CG2 4.39Å; R366-T413 WeakPolarHBondContact O-CB 3.29Å; R366-T413 PolarHBondContact O-OG1 2.91Å
367K97Very high96.1Very high69 Ų6960.6 Ų60.630%0.328%0.284SS..SBendtrans-135.1-174.1-177.5-64.6-164.9173.8-170.30110.5F365 N371 P391 F392 W421F365-K367 WeakPolarHBondContact CD2-O 3.27Å; F365-K367 PolarHBondContact O-N 3.03Å; F365-K367 VanDerWaalsContact O-N 3.11Å; K367-N371 HydrophobicContact CB-CB 3.66Å; K367-N371 HydrophobicContact CD-CB 3.89Å; K367-N371 HydrophobicContact CG-CB 4.42Å; K367-P391 WeakPolarHBondContact O-CA 3.31Å; K367-P391 VanDerWaalsContact O-CB 3.3Å; K367-P391 WeakPolarHBondContact O-CB 3.45Å; K367-F392 PolarHBondContact O-N 3.18Å; K367-W421 HydrophobicContact CB-CH2 3.58Å; K367-W421 HydrophobicContact CB-CZ2 3.89Å; K367-W421 HydrophobicContact CB-CZ3 3.97Å; K367-W421 HydrophobicContact CD-CD2 4.22Å; K367-W421 HydrophobicContact CD-CH2 4.14Å; K367-W421 HydrophobicContact CD-CZ2 3.55Å; K367-W421 VanDerWaalsContact CE-CE2 3.48Å; K367-W421 HydrophobicContact CG-CD2 3.97Å; K367-W421 HydrophobicContact CG-CE3 4.04Å; K367-W421 HydrophobicContact CG-CH2 3.71Å; K367-W421 HydrophobicContact CG-CZ2 3.64Å; K367-W421 HydrophobicContact CG-CZ3 3.92Å
368G95.6Very high96.1Very high1 Ų160 Ų601%0.0127%0.274CS..  trans-79.9170.417600000113.8T370 N371G368-T370 PolarHBondContact O-N 2.87Å; G368-N371 PolarHBondContact N-OD1 3.39Å; G368-N371 VanDerWaalsContact N-OD1 3.14Å; G368-N371 WeakPolarHBondContact O-CB 3.34Å; G368-N371 PolarHBondContact O-N 2.85Å
369F96.6Very high96.1Very high98 Ų9861.2 Ų61.243%0.4328%0.278SS..G310 helixtrans-58.7-34.3175.6-86.6-94.1000113.1F365 N371 I372 M379 F389 P391F365-F369 HydrophobicContact CZ-CD1 4.38Å; F365-F369 HydrophobicContact CZ-CD2 4.4Å; F365-F369 HydrophobicContact CZ-CE1 4.45Å; F365-F369 HydrophobicContact CZ-CE2 4.47Å; F365-F369 HydrophobicContact CZ-CG 4.38Å; F369-N371 PolarHBondContact O-N 2.92Å; F369-N371 VanDerWaalsContact O-N 3.12Å; F369-I372 HydrophobicContact CD1-CD1 3.9Å; F369-I372 WeakPolarHBondContact O-CG1 3.29Å; F369-I372 PolarHBondContact O-N 3.41Å; F369-M379 HydrophobicContact CD1-CE 3.76Å; F369-M379 HydrophobicContact CE1-CE 3.72Å; F369-F389 HydrophobicContact CE1-CB 3.58Å; F369-F389 HydrophobicContact CE1-CD2 4.24Å; F369-F389 AromaticContact CE1-CG 3.96Å; F369-F389 HydrophobicContact CE1-CG 3.96Å; F369-F389 HydrophobicContact CE2-CB 4.38Å; F369-F389 HydrophobicContact CZ-CB 3.38Å; F369-F389 HydrophobicContact CZ-CG 4.22Å; F369-P391 HydrophobicContact CD2-CB 4.09Å; F369-P391 HydrophobicContact CD2-CG 3.91Å; F369-P391 HydrophobicContact CE2-CB 4.28Å; F369-P391 HydrophobicContact CE2-CG 3.74Å
370T94.1Very high96.1Very high136 Ų13655.8 Ų55.883%0.83426%0.26SS*.G310 helixtrans-67.3-7.1176.450.10000113.2G368G368-T370 PolarHBondContact O-N 2.87Å
371N95.6Very high96.1Very high57 Ų5751.9 Ų51.931%0.30525%0.247SC..G310 helixtrans-11010.4179.2-50.5116.3000113.1K367 G368 F369 R373K367-N371 HydrophobicContact CB-CB 3.66Å; K367-N371 HydrophobicContact CD-CB 3.89Å; K367-N371 HydrophobicContact CG-CB 4.42Å; G368-N371 PolarHBondContact N-OD1 3.39Å; G368-N371 VanDerWaalsContact N-OD1 3.14Å; G368-N371 WeakPolarHBondContact O-CB 3.34Å; G368-N371 PolarHBondContact O-N 2.85Å; F369-N371 PolarHBondContact O-N 2.92Å; F369-N371 VanDerWaalsContact O-N 3.12Å; N371-R373 PolarHBondContact O-N 3.39Å
372I96.3Very high96Very high28 Ų2851.8 Ų51.814%0.14425%0.246CC..  trans-59.3132168.6-68.9171000108A342 F347 F365 F369 A374 M379A342-I372 HydrophobicContact CB-CG1 4.28Å; F347-I372 HydrophobicContact CE2-CG2 3.79Å; F347-I372 HydrophobicContact CZ-CD1 4.37Å; F347-I372 HydrophobicContact CZ-CG2 3.69Å; F365-I372 HydrophobicContact CE2-CG1 4.34Å; F365-I372 HydrophobicContact CZ-CD1 4.28Å; F365-I372 HydrophobicContact CZ-CG1 4.42Å; F369-I372 HydrophobicContact CD1-CD1 3.9Å; F369-I372 WeakPolarHBondContact O-CG1 3.29Å; F369-I372 PolarHBondContact O-N 3.41Å; I372-A374 HydrophobicContact CG2-CB 4.23Å; I372-M379 HydrophobicContact CD1-CE 3.83Å; I372-M379 HydrophobicContact CD1-CG 4.42Å; I372-M379 HydrophobicContact CD1-SD 3.61Å
373R93.7Very high95.9Very high178 Ų17855.2 Ų55.267%0.67226%0.262SS*.  trans-91.6-28.7-178-63.6-174-63.5173.31.2112.7A342 N371A342-R373 PolarHBondContact O-N 3.5Å; N371-R373 PolarHBondContact O-N 3.39Å
374A94.1Very high95.7Very high7 Ų759.5 Ų59.56%0.05828%0.282CS..SBendtrans-66148.8173.600000109.8A342 D344 F347 I372 E378A342-A374 PolarHBondContact O-N 3.25Å; D344-A374 VanDerWaalsContact OD1-CA 3.28Å; D344-A374 WeakPolarHBondContact OD1-CA 3.31Å; D344-A374 VanDerWaalsContact OD1-CB 3.22Å; D344-A374 WeakPolarHBondContact OD1-CB 3.18Å; F347-A374 HydrophobicContact CD2-CB 3.42Å; F347-A374 VanDerWaalsContact CD2-CB 3.42Å; F347-A374 HydrophobicContact CE2-CB 3.35Å; F347-A374 HydrophobicContact CZ-CB 4.43Å; I372-A374 HydrophobicContact CG2-CB 4.23Å; A374-E378 HydrophobicContact CB-CB 4.22Å; A374-E378 HydrophobicContact CB-CG 4.31Å
375V93.8Very high95.6Very high18 Ų1860.5 Ų60.511%0.10929%0.286CS..  trans-67.1155.8176.7-67.30000112P133 E136 E377 E378 M379P133-V375 HydrophobicContact CB-CB 4.17Å; P133-V375 HydrophobicContact CB-CG1 3.47Å; P133-V375 VanDerWaalsContact CB-CG1 3.47Å; P133-V375 HydrophobicContact CB-CG2 3.67Å; E136-V375 HydrophobicContact CB-CG1 4.24Å; E136-V375 HydrophobicContact CG-CG1 3.52Å; V375-E377 WeakPolarHBondContact CB-OE2 3.47Å; V375-E377 HydrophobicContact CG2-CB 4.49Å; V375-E377 VanDerWaalsContact CG2-OE2 3.3Å; V375-E377 WeakPolarHBondContact CG2-OE2 3.44Å; V375-E377 PolarHBondContact O-N 2.98Å; V375-E377 VanDerWaalsContact O-N 3.11Å; V375-E378 HydrophobicContact CG2-CB 4.16Å; V375-E378 PolarHBondContact O-N 2.94Å; V375-M379 PolarHBondContact O-N 3.04Å
376P95.6Very high95.6Very high80 Ų8063.4 Ų63.452%0.51930%0.299SS..Hα-helixtrans-53.8-34.6-178.4-28.236.5000113.7E378 M379 E380P376-E378 VanDerWaalsContact C-N 3.33Å; P376-E378 PolarHBondContact O-N 3.32Å; P376-M379 PolarHBondContact O-N 3.33Å; P376-E380 WeakPolarHBondContact O-CB 3.07Å; P376-E380 PolarHBondContact O-N 3.23Å
377E94Very high95.6Very high88 Ų8855.7 Ų55.741%0.41127%0.271SS..Hα-helixtrans-65.1-36.5-179.6-58.672.3-14900112.1S135 V375S135-E377 WeakPolarHBondContact CB-OE1 3.44Å; S135-E377 VanDerWaalsContact OG-CD 3.26Å; S135-E377 PolarHBondContact OG-OE1 2.74Å; S135-E377 PolarHBondContact OG-OE2 3.01Å; V375-E377 WeakPolarHBondContact CB-OE2 3.47Å; V375-E377 HydrophobicContact CG2-CB 4.49Å; V375-E377 VanDerWaalsContact CG2-OE2 3.3Å; V375-E377 WeakPolarHBondContact CG2-OE2 3.44Å; V375-E377 PolarHBondContact O-N 2.98Å; V375-E377 VanDerWaalsContact O-N 3.11Å
378E95.8Very high95.6Very high12 Ų1255.6 Ų55.66%0.05627%0.271CS..Hα-helixtrans-74.9-40.7178.5-17260.8-151.900111.1R237 F347 A374 V375 P376 E380 L381R237-E378 IonicContact CZ-OE1 2.7Å; R237-E378 IonicContact CZ-OE2 3.66Å; R237-E378 VanDerWaalsContact CZ-OE2 3.24Å; R237-E378 IonicContact NE-OE1 3.86Å; R237-E378 PolarHBondContact NE-OE1 3.38Å; R237-E378 IonicContact NE-OE2 3.6Å; R237-E378 IonicContact NH1-OE1 2.72Å; R237-E378 IonicContact NH1-OE2 3.37Å; R237-E378 PolarHBondContact NH1-OE2 3.04Å; F347-E378 HydrophobicContact CB-CG 3.97Å; F347-E378 HydrophobicContact CG-CG 4.47Å; A374-E378 HydrophobicContact CB-CB 4.22Å; A374-E378 HydrophobicContact CB-CG 4.31Å; V375-E378 HydrophobicContact CG2-CB 4.16Å; V375-E378 PolarHBondContact O-N 2.94Å; P376-E378 VanDerWaalsContact C-N 3.33Å; P376-E378 PolarHBondContact O-N 3.32Å; E378-E380 VanDerWaalsContact C-N 3.31Å; E378-E380 PolarHBondContact O-N 3.24Å; E378-L381 PolarHBondContact O-N 2.86Å
379M96.4Very high95.7Very high37 Ų3757 Ų5718%0.18228%0.277CS..Hα-helixtrans-61.5-39.5173.3-178.1-167.5173.900111.8F347 F369 I372 V375 P376 L381 A382 K383 F389F347-M379 HydrophobicContact CE1-CB 3.96Å; F347-M379 HydrophobicContact CE1-CG 3.76Å; F347-M379 HydrophobicContact CZ-CB 4.12Å; F347-M379 HydrophobicContact CZ-CG 4.07Å; F369-M379 HydrophobicContact CD1-CE 3.76Å; F369-M379 HydrophobicContact CE1-CE 3.72Å; I372-M379 HydrophobicContact CD1-CE 3.83Å; I372-M379 HydrophobicContact CD1-CG 4.42Å; I372-M379 HydrophobicContact CD1-SD 3.61Å; V375-M379 PolarHBondContact O-N 3.04Å; P376-M379 PolarHBondContact O-N 3.33Å; M379-L381 VanDerWaalsContact C-N 3.27Å; M379-L381 PolarHBondContact O-N 3.35Å; M379-A382 PolarHBondContact O-N 3.26Å; M379-K383 WeakPolarHBondContact O-CB 3.36Å; M379-K383 PolarHBondContact O-N 2.96Å; M379-F389 HydrophobicContact CE-CD2 4.43Å; M379-F389 HydrophobicContact CE-CE2 4.35Å; M379-F389 HydrophobicContact CE-CZ 4.45Å
380E96.4Very high95.8Very high58 Ų5854.6 Ų54.627%0.27127%0.268SS..Hα-helixtrans-62.4-34.9-176.8-166.462.4-157.600111.7P376 E378 A382 K383 E384P376-E380 WeakPolarHBondContact O-CB 3.07Å; P376-E380 PolarHBondContact O-N 3.23Å; E378-E380 VanDerWaalsContact C-N 3.31Å; E378-E380 PolarHBondContact O-N 3.24Å; E380-A382 PolarHBondContact O-N 3.37Å; E380-K383 VanDerWaalsContact CD-NZ 3.26Å; E380-K383 PolarHBondContact O-N 3.5Å; E380-K383 IonicContact OE1-NZ 3.63Å; E380-K383 PolarHBondContact OE1-NZ 3.05Å; E380-K383 IonicContact OE2-NZ 2.67Å; E380-K383 PolarHBondContact OE2-NZ 3.24Å; E380-E384 HydrophobicContact CG-CG 4.15Å; E380-E384 WeakPolarHBondContact O-CB 3.22Å; E380-E384 WeakPolarHBondContact O-CG 3.48Å; E380-E384 PolarHBondContact O-N 3.45Å
381L96.8Very high96Very high14 Ų1449.7 Ų49.77%0.07324%0.239CC..Hα-helixtrans-57.9-51.7176-61.5178000111.6I64 R237 E378 M379 K383 E384 E385I64-L381 HydrophobicContact CD1-CB 4.31Å; I64-L381 HydrophobicContact CD1-CD1 4.03Å; I64-L381 HydrophobicContact CD1-CD2 4.07Å; I64-L381 HydrophobicContact CD1-CG 4.36Å; I64-L381 HydrophobicContact CG1-CD1 4.35Å; I64-L381 HydrophobicContact CG1-CD2 4.13Å; R237-L381 HydrophobicContact CG-CD1 4.41Å; E378-L381 PolarHBondContact O-N 2.86Å; M379-L381 VanDerWaalsContact C-N 3.27Å; M379-L381 PolarHBondContact O-N 3.35Å; L381-K383 VanDerWaalsContact C-N 3.29Å; L381-K383 PolarHBondContact O-N 2.93Å; L381-E384 PolarHBondContact O-N 2.97Å; L381-E385 WeakPolarHBondContact O-CG 3.17Å; L381-E385 PolarHBondContact O-N 3.24Å
382A96.8Very high96.1Very high0 Ų050.7 Ų50.70%024%0.241CC..Hα-helixtrans-64.4-35.7178.100000112.2F347 T351 M379 E380 E385 K386 C387 F389F347-A382 HydrophobicContact CD1-CB 3.77Å; T351-A382 HydrophobicContact CG2-CB 4.05Å; M379-A382 PolarHBondContact O-N 3.26Å; E380-A382 PolarHBondContact O-N 3.37Å; A382-E385 CarbonylContact O-C 3.51Å; A382-E385 PolarHBondContact O-N 2.97Å; A382-K386 PolarHBondContact O-N 3.32Å; A382-C387 HydrophobicContact CB-CB 4.11Å; A382-C387 VanDerWaalsContact O-CB 3.3Å; A382-C387 WeakPolarHBondContact O-CB 3.3Å; A382-C387 PolarHBondContact O-N 2.98Å; A382-F389 HydrophobicContact CB-CE1 4.44Å; A382-F389 HydrophobicContact CB-CZ 4.08Å
383K95.7Very high96.2Very high98 Ų9849.9 Ų49.943%0.42624%0.237SC..Hα-helixtrans-69.2-44179.4175.9173.4151-119.60112.6M379 E380 L381 E385 K386 F389M379-K383 WeakPolarHBondContact O-CB 3.36Å; M379-K383 PolarHBondContact O-N 2.96Å; E380-K383 VanDerWaalsContact CD-NZ 3.26Å; E380-K383 PolarHBondContact O-N 3.5Å; E380-K383 IonicContact OE1-NZ 3.63Å; E380-K383 PolarHBondContact OE1-NZ 3.05Å; E380-K383 IonicContact OE2-NZ 2.67Å; E380-K383 PolarHBondContact OE2-NZ 3.24Å; L381-K383 VanDerWaalsContact C-N 3.29Å; L381-K383 PolarHBondContact O-N 2.93Å; K383-E385 PolarHBondContact O-N 3.18Å; K383-K386 PolarHBondContact O-N 3.24Å; K383-F389 HydrophobicContact CB-CE2 3.86Å; K383-F389 HydrophobicContact CB-CZ 4.09Å; K383-F389 HydrophobicContact CG-CE2 4.34Å
384E94.7Very high96.3Very high89 Ų8942 Ų4242%0.41621%0.209SC..Hα-helixtrans-63.3-33.8176.3-74-170.317800111.8H66 E380 L381 K386H66-E384 VanDerWaalsContact CE1-CD 3.46Å; H66-E384 IonicContact CE1-OE1 2.87Å; H66-E384 PolarHBondContact CE1-OE1 2.97Å; H66-E384 VanDerWaalsContact CE1-OE1 3.27Å; H66-E384 IonicContact CE1-OE2 3.58Å; H66-E384 PolarHBondContact CE1-OE2 3.09Å; H66-E384 VanDerWaalsContact CE1-OE2 3.3Å; H66-E384 IonicContact NE2-OE1 2.78Å; H66-E384 IonicContact NE2-OE2 3.68Å; H66-E384 PolarHBondContact NE2-OE2 3.3Å; E380-E384 HydrophobicContact CG-CG 4.15Å; E380-E384 WeakPolarHBondContact O-CB 3.22Å; E380-E384 WeakPolarHBondContact O-CG 3.48Å; E380-E384 PolarHBondContact O-N 3.45Å; L381-E384 PolarHBondContact O-N 2.97Å; E384-K386 PolarHBondContact O-N 3.41Å
385E95.9Very high96.5Very high23 Ų2342.5 Ų42.511%0.10721%0.212CC..THydrogen-bonded Turntrans-81.911.3173.6-63.2-173.8166.800114.1C54 L57 T351 L354 R355 L381 A382 K383 C387C54-E385 PolarHBondContact SG-O 3.12Å; L57-E385 HydrophobicContact CD1-CB 4.17Å; L57-E385 VanDerWaalsContact CD1-CD 3.47Å; L57-E385 HydrophobicContact CD1-CG 3.75Å; T351-E385 WeakPolarHBondContact CG2-OE2 3.44Å; L354-E385 HydrophobicContact CD1-CB 3.73Å; R355-E385 IonicContact CZ-OE1 2.7Å; R355-E385 VanDerWaalsContact CZ-OE1 3.23Å; R355-E385 IonicContact CZ-OE2 2.64Å; R355-E385 IonicContact NH1-OE1 3.55Å; R355-E385 PolarHBondContact NH1-OE1 3.01Å; R355-E385 IonicContact NH1-OE2 2.67Å; R355-E385 PolarHBondContact NH1-OE2 2.64Å; R355-E385 IonicContact NH2-OE1 3.59Å; R355-E385 PolarHBondContact NH2-OE1 2.56Å; R355-E385 IonicContact NH2-OE2 3.95Å; L381-E385 WeakPolarHBondContact O-CG 3.17Å; L381-E385 PolarHBondContact O-N 3.24Å; A382-E385 CarbonylContact O-C 3.51Å; A382-E385 PolarHBondContact O-N 2.97Å; K383-E385 PolarHBondContact O-N 3.18Å; E385-C387 VanDerWaalsContact C-N 3.32Å; E385-C387 PolarHBondContact O-N 3.09Å
386K96Very high96.5Very high72 Ų7244.9 Ų44.931%0.31322%0.218SC..THydrogen-bonded Turntrans64.329.3171.8-44.9-61.8178.8161.60114.5C51 C54 A382 K383 E384C51-K386 WeakPolarHBondContact O-CE 3.31Å; C51-K386 PolarHBondContact O-NZ 2.82Å; C54-K386 HydrophobicContact CB-CB 4.1Å; C54-K386 HydrophobicContact CB-CG 4.34Å; A382-K386 PolarHBondContact O-N 3.32Å; K383-K386 PolarHBondContact O-N 3.24Å; E384-K386 PolarHBondContact O-N 3.41Å
387C96.6Very high96.6Very high7 Ų746 Ų465%0.04722%0.217CC..  trans-63.6141.4161.7-63.90000109.9V363 A382 E385 F389V363-C387 HydrophobicContact CG2-CB 4.28Å; A382-C387 HydrophobicContact CB-CB 4.11Å; A382-C387 VanDerWaalsContact O-CB 3.3Å; A382-C387 WeakPolarHBondContact O-CB 3.3Å; A382-C387 PolarHBondContact O-N 2.98Å; E385-C387 VanDerWaalsContact C-N 3.32Å; E385-C387 PolarHBondContact O-N 3.09Å; C387-F389 HydrophobicContact CB-CZ 4.34Å; C387-F389 WeakPolarHBondContact O-CE2 3.23Å
388E96.9Very high96.7Very high67 Ų6742.8 Ų42.831%0.31320%0.203SC..EExtended strand (participates in β ladder)trans-97.6137.6177.4-84.3169.3-135.100111.2R360 V361 Y362 V363R360-E388 IonicContact CZ-OE1 3.77Å; R360-E388 IonicContact CZ-OE2 2.69Å; R360-E388 VanDerWaalsContact CZ-OE2 3.23Å; R360-E388 VanDerWaalsContact NE-CD 3.28Å; R360-E388 IonicContact NE-OE1 2.9Å; R360-E388 PolarHBondContact NE-OE1 2.84Å; R360-E388 IonicContact NE-OE2 3.74Å; R360-E388 PolarHBondContact NE-OE2 3.39Å; R360-E388 IonicContact NH2-OE1 3.94Å; R360-E388 PolarHBondContact NH2-OE1 3.36Å; R360-E388 IonicContact NH2-OE2 3.27Å; R360-E388 PolarHBondContact NH2-OE2 2.95Å; V361-E388 PolarHBondContact O-N 3.21Å; Y362-E388 CarbonylContact C-O 3.46Å; Y362-E388 WeakPolarHBondContact CA-O 3.37Å; Y362-E388 HydrophobicContact CD1-CB 3.65Å; Y362-E388 HydrophobicContact CE1-CB 3.91Å; Y362-E388 WeakPolarHBondContact CE1-OE2 3.08Å; V363-E388 PolarHBondContact N-O 3.3Å
389F98.1Very high96.8Very high30 Ų3044.7 Ų44.713%0.13221%0.213CC..EExtended strand (participates in β ladder)trans-109.1121.3-175.4-57.8-77000109.6F347 V363 F365 F369 M379 A382 K383 C387 P391F347-F389 HydrophobicContact CD1-CE1 4.22Å; F347-F389 HydrophobicContact CE1-CD1 4.34Å; F347-F389 AromaticContact CE1-CE1 3.56Å; F347-F389 HydrophobicContact CE1-CE1 3.56Å; F347-F389 HydrophobicContact CE1-CZ 4.34Å; V363-F389 HydrophobicContact CB-CD1 3.85Å; V363-F389 HydrophobicContact CB-CE1 4.13Å; V363-F389 HydrophobicContact CG1-CD1 4.3Å; V363-F389 HydrophobicContact CG2-CD1 4.31Å; V363-F389 HydrophobicContact CG2-CE1 4.11Å; V363-F389 WeakPolarHBondContact O-CA 3.37Å; F365-F389 HydrophobicContact CE1-CB 4Å; F365-F389 HydrophobicContact CE1-CD1 4.28Å; F365-F389 HydrophobicContact CZ-CB 4.24Å; F369-F389 HydrophobicContact CE1-CB 3.58Å; F369-F389 HydrophobicContact CE1-CD2 4.24Å; F369-F389 AromaticContact CE1-CG 3.96Å; F369-F389 HydrophobicContact CE1-CG 3.96Å; F369-F389 HydrophobicContact CE2-CB 4.38Å; F369-F389 HydrophobicContact CZ-CB 3.38Å; F369-F389 HydrophobicContact CZ-CG 4.22Å; M379-F389 HydrophobicContact CE-CD2 4.43Å; M379-F389 HydrophobicContact CE-CE2 4.35Å; M379-F389 HydrophobicContact CE-CZ 4.45Å; A382-F389 HydrophobicContact CB-CE1 4.44Å; A382-F389 HydrophobicContact CB-CZ 4.08Å; K383-F389 HydrophobicContact CB-CE2 3.86Å; K383-F389 HydrophobicContact CB-CZ 4.09Å; K383-F389 HydrophobicContact CG-CE2 4.34Å; C387-F389 HydrophobicContact CB-CZ 4.34Å; C387-F389 WeakPolarHBondContact O-CE2 3.23Å; F389-P391 WeakPolarHBondContact O-CD 3.41Å
390L98.1Very high96.8Very high47 Ų4746.4 Ų46.425%0.24622%0.222CC..EExtended strand (participates in β ladder)trans-116.793.5-179.6-59.5-178.6000109.5Y362 V363 C364 F365 L393 L431Y362-L390 HydrophobicContact CD1-CD1 3.52Å; Y362-L390 HydrophobicContact CD1-CG 3.94Å; Y362-L390 HydrophobicContact CE1-CD1 4.05Å; Y362-L390 HydrophobicContact CG-CD1 4.13Å; V363-L390 PolarHBondContact O-N 3.11Å; C364-L390 WeakPolarHBondContact CA-O 3.46Å; F365-L390 PolarHBondContact N-O 3.49Å; F365-L390 VanDerWaalsContact N-O 3.11Å; L390-L393 HydrophobicContact CB-CD1 3.61Å; L390-L393 HydrophobicContact CD1-CD1 4.24Å; L390-L431 HydrophobicContact CD1-CD1 4.43Å; L390-L431 HydrophobicContact CD1-CD2 3.6Å
391P98Very high96.8Very high34 Ų3450.4 Ų50.422%0.22124%0.238CC..  trans-75.4169179.635-38.5000111.4F365 K367 F369 F389 L393F365-P391 HydrophobicContact CD2-CB 4.14Å; F365-P391 HydrophobicContact CE2-CB 3.47Å; F365-P391 VanDerWaalsContact CE2-CB 3.47Å; F365-P391 HydrophobicContact CZ-CB 3.88Å; F365-P391 CarbonylContact O-C 3.57Å; K367-P391 WeakPolarHBondContact O-CA 3.31Å; K367-P391 VanDerWaalsContact O-CB 3.3Å; K367-P391 WeakPolarHBondContact O-CB 3.45Å; F369-P391 HydrophobicContact CD2-CB 4.09Å; F369-P391 HydrophobicContact CD2-CG 3.91Å; F369-P391 HydrophobicContact CE2-CB 4.28Å; F369-P391 HydrophobicContact CE2-CG 3.74Å; F389-P391 WeakPolarHBondContact O-CD 3.41Å; P391-L393 VanDerWaalsContact C-N 3.31Å; P391-L393 PolarHBondContact O-N 2.91Å
392F97.9Very high96.6Very high77 Ų7757 Ų5734%0.33827%0.274SS..SBendtrans59.934.2173-56-73.6000114.9F365 K367 R412 T413 W421F365-F392 PolarHBondContact O-N 3.3Å; K367-F392 PolarHBondContact O-N 3.18Å; F392-R412 CarbonylContact O-C 3.16Å; F392-R412 WeakPolarHBondContact O-CA 3.49Å; F392-T413 VanDerWaalsContact CA-OG1 3.23Å; F392-T413 WeakPolarHBondContact CA-OG1 3.29Å; F392-T413 WeakPolarHBondContact CB-O 3.33Å; F392-T413 WeakPolarHBondContact CD1-O 3.11Å; F392-T413 PolarHBondContact O-N 3.13Å; F392-W421 HydrophobicContact CD1-CH2 4.39Å; F392-W421 AromaticContact CD1-CZ3 3.85Å; F392-W421 HydrophobicContact CD1-CZ3 3.85Å; F392-W421 AromaticContact CE1-CH2 3.9Å; F392-W421 HydrophobicContact CE1-CH2 3.9Å; F392-W421 AromaticContact CE1-CZ3 3.78Å; F392-W421 HydrophobicContact CE1-CZ3 3.78Å
393L98.1Very high96.5Very high12 Ų1259.3 Ų59.36%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-120.6120-179.2-62.9-175.3000111.8C364 F365 R366 L390 P391 F410 I429C364-L393 HydrophobicContact CB-CD1 4.43Å; F365-L393 CarbonylContact C-O 3.58Å; F365-L393 PolarHBondContact O-N 2.9Å; R366-L393 VanDerWaalsContact CA-O 3.25Å; R366-L393 WeakPolarHBondContact CA-O 3.42Å; R366-L393 PolarHBondContact N-O 3.37Å; L390-L393 HydrophobicContact CB-CD1 3.61Å; L390-L393 HydrophobicContact CD1-CD1 4.24Å; P391-L393 VanDerWaalsContact C-N 3.31Å; P391-L393 PolarHBondContact O-N 2.91Å; L393-F410 HydrophobicContact CB-CB 4.14Å; L393-F410 HydrophobicContact CB-CD1 3.63Å; L393-F410 HydrophobicContact CB-CE1 4.18Å; L393-F410 HydrophobicContact CB-CG 4Å; L393-F410 HydrophobicContact CD1-CD1 4.45Å; L393-F410 HydrophobicContact CD1-CD2 4.39Å; L393-F410 HydrophobicContact CD1-CG 4.27Å; L393-F410 HydrophobicContact CD2-CB 4.11Å; L393-I429 HydrophobicContact CD2-CD1 3.44Å; L393-I429 VanDerWaalsContact CD2-CD1 3.44Å
394S97.5Very high96.5Very high11 Ų1161 Ų618%0.07730%0.301CS..EExtended strand (participates in β ladder)trans-106.8129.3170.6-164.70000110.3F410 C411 E423S394-F410 CarbonylContact O-C 3.16Å; S394-F410 WeakPolarHBondContact O-CA 3.45Å; S394-F410 WeakPolarHBondContact O-CB 3.4Å; S394-C411 PolarHBondContact N-O 3.46Å; S394-C411 PolarHBondContact O-N 3.3Å; S394-E423 WeakPolarHBondContact CB-OE1 3.29Å; S394-E423 PolarHBondContact OG-OE1 2.97Å
395P97Very high96.7Very high19 Ų1957.1 Ų57.112%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-73.2140.9-174.432-36.6000111.7I295 F296 L408 F410 F440I295-P395 HydrophobicContact CD1-CB 3.55Å; I295-P395 HydrophobicContact CD1-CG 3.71Å; F296-P395 HydrophobicContact CZ-CB 4.34Å; F296-P395 HydrophobicContact CZ-CG 4.48Å; P395-L408 HydrophobicContact CB-CD1 4.18Å; P395-L408 HydrophobicContact CB-CD2 4.08Å; P395-L408 HydrophobicContact CB-CG 4.39Å; P395-F410 HydrophobicContact CB-CD1 4.14Å; P395-F410 HydrophobicContact CB-CE1 4.13Å; P395-F440 HydrophobicContact CG-CZ 4.26Å
396R95.3Very high96.7Very high67 Ų6757.7 Ų57.725%0.25329%0.292SS..EExtended strand (participates in β ladder)trans-122.7-52.9-175.6-75.6-65.7-169.4-122.21.1114.1Q409 C411 E423 E425R396-Q409 PolarHBondContact N-O 3.47Å; R396-C411 HydrophobicContact CG-CB 3.87Å; R396-C411 PolarHBondContact NE-SG 3.08Å; R396-C411 PolarHBondContact NH2-SG 2.77Å; R396-C411 VanDerWaalsContact NH2-SG 3.43Å; R396-E423 IonicContact CZ-OE2 2.73Å; R396-E423 IonicContact NH1-OE1 2.71Å; R396-E423 IonicContact NH1-OE2 3.31Å; R396-E423 PolarHBondContact NH1-OE2 3.27Å; R396-E423 VanDerWaalsContact NH2-CB 3.27Å; R396-E423 IonicContact NH2-OE2 3.6Å; R396-E423 PolarHBondContact NH2-OE2 3.47Å; R396-E425 IonicContact CZ-OE1 3.19Å; R396-E425 VanDerWaalsContact CZ-OE1 3.24Å; R396-E425 IonicContact CZ-OE2 2.78Å; R396-E425 IonicContact NE-OE1 3.67Å; R396-E425 PolarHBondContact NE-OE1 3.26Å; R396-E425 IonicContact NE-OE2 2.64Å; R396-E425 PolarHBondContact NE-OE2 3.1Å; R396-E425 IonicContact NH2-OE1 2.71Å; R396-E425 PolarHBondContact NH2-OE1 2.95Å; R396-E425 IonicContact NH2-OE2 3.3Å; R396-E425 PolarHBondContact NH2-OE2 2.71Å
397E95.9Very high96.8Very high104 Ų10454.3 Ų54.349%0.48628%0.277SS..EExtended strand (participates in β ladder)trans-143.3128.5-173.9-173.5-172.817900111.2L408 Q409E397-L408 WeakPolarHBondContact O-CD1 3.46Å; E397-Q409 HydrophobicContact CB-CB 4.11Å; E397-Q409 PolarHBondContact N-O 3.21Å; E397-Q409 PolarHBondContact O-N 3.35Å
398V97.4Very high96.9Very high20 Ų2054 Ų5412%0.12128%0.275CS..EExtended strand (participates in β ladder)trans-82121.7171.9-175.70000109.6F296 L299 M400 I405 L408 I436F296-V398 HydrophobicContact CD1-CG2 3.68Å; F296-V398 HydrophobicContact CE1-CG2 3.65Å; L299-V398 HydrophobicContact CD1-CB 4.27Å; L299-V398 HydrophobicContact CD1-CG1 4.1Å; L299-V398 HydrophobicContact CD1-CG2 3.81Å; V398-M400 HydrophobicContact CG1-CG 4.45Å; V398-M400 HydrophobicContact CG1-SD 3.94Å; V398-M400 PolarHBondContact O-N 3.33Å; V398-I405 HydrophobicContact CG1-CD1 4.41Å; V398-I405 HydrophobicContact CG1-CG1 3.9Å; V398-I405 HydrophobicContact CG1-CG2 4.39Å; V398-L408 HydrophobicContact CG2-CD1 4.04Å; V398-I436 HydrophobicContact CG1-CD1 3.95Å; V398-I436 HydrophobicContact CG2-CD1 4.18Å
399I97.6Very high97Very high52 Ų5251.9 Ų51.927%0.26727%0.265SS..EExtended strand (participates in β ladder)trans-86.3115.1-179.9-55.7171.2000108.3A406 G407 R430I399-A406 HydrophobicContact CG2-CB 4.47Å; I399-A406 PolarHBondContact O-N 3.17Å; I399-G407 PolarHBondContact N-O 3.22Å; I399-G407 PolarHBondContact O-N 3.29Å; I399-R430 HydrophobicContact CD1-CB 4.32Å; I399-R430 HydrophobicContact CD1-CG 4.22Å
400M97.1Very high97Very high74 Ų7450.4 Ų50.437%0.36526%0.259SS..EExtended strand (participates in β ladder)trans-103.6138.9-179.9-64.1-62.2-71.400111.4L299 Q303 V398 R404 I405L299-M400 HydrophobicContact CD2-SD 4.21Å; Q303-M400 HydrophobicContact CB-CE 4.07Å; Q303-M400 HydrophobicContact CG-CE 4.14Å; V398-M400 HydrophobicContact CG1-CG 4.45Å; V398-M400 HydrophobicContact CG1-SD 3.94Å; V398-M400 PolarHBondContact O-N 3.33Å; M400-R404 CarbonylContact C-O 3.46Å; M400-R404 WeakPolarHBondContact CA-O 3.32Å; M400-I405 HydrophobicContact SD-CB 4.41Å; M400-I405 HydrophobicContact SD-CG1 3.69Å
401K95.6Very high96.9Very high141 Ų14148.2 Ų48.261%0.61325%0.247SC*.EExtended strand (participates in β ladder)trans-140.9130.2171.8-169.3175.9-178.7178.60110.3G403 R404 A406K401-G403 PolarHBondContact O-N 2.94Å; K401-R404 PolarHBondContact N-O 3.03Å; K401-R404 PolarHBondContact O-N 3Å; K401-R404 VanDerWaalsContact O-O 3.08Å; K401-A406 HydrophobicContact CB-CB 3.82Å
402N93.4Very high96.9Very high153 Ų15351 Ų5182%0.81825%0.253SS*.THydrogen-bonded Turntrans51.139.3-179.7-57.7-18.3000113.1R404N402-R404 VanDerWaalsContact C-N 3.28Å; N402-R404 PolarHBondContact O-N 3.02Å
403G93.3Very high96.9Very high48 Ų4847.6 Ų47.650%0.49524%0.239SC..THydrogen-bonded Turntrans72.312.3-179.400000115.4Q303 K401Q303-G403 WeakPolarHBondContact CG-O 3.35Å; K401-G403 PolarHBondContact O-N 2.94Å
404R96.6Very high96.8Very high133 Ų13350.6 Ų50.650%0.50225%0.252SS..EExtended strand (participates in β ladder)trans-128.8158.8173.9-56.5-169.383.11624.5111.3M400 K401 N402 A406M400-R404 CarbonylContact C-O 3.46Å; M400-R404 WeakPolarHBondContact CA-O 3.32Å; K401-R404 PolarHBondContact N-O 3.03Å; K401-R404 PolarHBondContact O-N 3Å; K401-R404 VanDerWaalsContact O-O 3.08Å; N402-R404 VanDerWaalsContact C-N 3.28Å; N402-R404 PolarHBondContact O-N 3.02Å; R404-A406 PolarHBondContact O-N 3.33Å
405I97.9Very high96.7Very high8 Ų855.1 Ų55.14%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-62.9135.1173.3-67168.4000109.5Q303 F305 V398 M400 A433 I436Q303-I405 WeakPolarHBondContact O-CG1 3.22Å; Q303-I405 PolarHBondContact O-N 2.93Å; F305-I405 HydrophobicContact CB-CD1 3.96Å; V398-I405 HydrophobicContact CG1-CD1 4.41Å; V398-I405 HydrophobicContact CG1-CG1 3.9Å; V398-I405 HydrophobicContact CG1-CG2 4.39Å; M400-I405 HydrophobicContact SD-CB 4.41Å; M400-I405 HydrophobicContact SD-CG1 3.69Å; I405-A433 CarbonylContact C-O 3.51Å; I405-I436 HydrophobicContact CD1-CB 4.26Å; I405-I436 HydrophobicContact CD1-CD1 3.99Å; I405-I436 HydrophobicContact CD1-CG1 4.13Å; I405-I436 HydrophobicContact CG2-CD1 3.92Å; I405-I436 HydrophobicContact CG2-CG1 4.14Å
406A97.5Very high96.6Very high36 Ų3655.9 Ų55.930%0.29828%0.277SS..EExtended strand (participates in β ladder)trans-121.7-8.5174.100000112.7I399 K401 R404 A433I399-A406 HydrophobicContact CG2-CB 4.47Å; I399-A406 PolarHBondContact O-N 3.17Å; K401-A406 HydrophobicContact CB-CB 3.82Å; R404-A406 PolarHBondContact O-N 3.33Å; A406-A433 CarbonylContact C-O 3.19Å; A406-A433 VanDerWaalsContact CA-O 3.22Å; A406-A433 WeakPolarHBondContact CA-O 3.44Å; A406-A433 PolarHBondContact O-N 2.83Å
407G97.6Very high96.4Very high0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans169.1179.217500000113.6I399 L431 A433I399-G407 PolarHBondContact N-O 3.22Å; I399-G407 PolarHBondContact O-N 3.29Å; G407-L431 CarbonylContact C-O 3.57Å; G407-L431 WeakPolarHBondContact CA-O 3.31Å; G407-A433 PolarHBondContact N-O 3.06Å
408L98.3Very high96.2Very high0 Ų064 Ų640%032%0.317CS..EExtended strand (participates in β ladder)trans-132.4126.6175-178.154.9000108.7F296 I338 L340 P395 E397 V398 F410 L431 I436F296-L408 HydrophobicContact CE1-CD1 4.43Å; I338-L408 HydrophobicContact CD1-CB 3.81Å; I338-L408 HydrophobicContact CD1-CD2 4.47Å; I338-L408 HydrophobicContact CG2-CD2 4.29Å; L340-L408 HydrophobicContact CD1-CD2 3.97Å; L340-L408 HydrophobicContact CD2-CD2 3.91Å; L340-L408 HydrophobicContact CG-CD2 4.44Å; P395-L408 HydrophobicContact CB-CD1 4.18Å; P395-L408 HydrophobicContact CB-CD2 4.08Å; P395-L408 HydrophobicContact CB-CG 4.39Å; E397-L408 WeakPolarHBondContact O-CD1 3.46Å; V398-L408 HydrophobicContact CG2-CD1 4.04Å; L408-F410 HydrophobicContact CB-CE2 3.85Å; L408-F410 HydrophobicContact CB-CZ 4.14Å; L408-F410 HydrophobicContact CD2-CE1 3.72Å; L408-F410 HydrophobicContact CD2-CE2 3.92Å; L408-F410 HydrophobicContact CD2-CZ 3.33Å; L408-F410 HydrophobicContact CG-CD2 4.25Å; L408-F410 HydrophobicContact CG-CE1 4.12Å; L408-F410 HydrophobicContact CG-CE2 3.7Å; L408-F410 HydrophobicContact CG-CZ 3.66Å; L408-F410 WeakPolarHBondContact O-CD2 3.45Å; L408-L431 PolarHBondContact N-O 3.02Å; L408-L431 PolarHBondContact O-N 3.26Å; L408-I436 HydrophobicContact CB-CD1 4Å; L408-I436 HydrophobicContact CD1-CD1 4.33Å; L408-I436 HydrophobicContact CD2-CD1 4.11Å; L408-I436 HydrophobicContact CG-CD1 4.39Å
409Q98.3Very high95.8Very high23 Ų2364.4 Ų64.411%0.10733%0.325CS..EExtended strand (participates in β ladder)trans-83.7136.1168.1-172.6173.3-8000109.3R396 E397 I428 I429 R430R396-Q409 PolarHBondContact N-O 3.47Å; E397-Q409 HydrophobicContact CB-CB 4.11Å; E397-Q409 PolarHBondContact N-O 3.21Å; E397-Q409 PolarHBondContact O-N 3.35Å; Q409-I428 HydrophobicContact CG-CB 4.48Å; Q409-I429 CarbonylContact C-O 3.1Å; Q409-I429 VanDerWaalsContact CA-O 3.31Å; Q409-I429 WeakPolarHBondContact CA-O 3.22Å; Q409-R430 HydrophobicContact CB-CG 4.28Å; Q409-R430 HydrophobicContact CG-CG 4.06Å
410F98.4Very high95.6Very high0 Ų066.9 Ų66.90%034%0.339CS..EExtended strand (participates in β ladder)trans-121156.6173.8-59.8-94.8000109.7I338 L340 C364 L393 S394 P395 L408 I428 I429 L431I338-F410 HydrophobicContact CD1-CE2 4.25Å; I338-F410 HydrophobicContact CD1-CZ 4.35Å; I338-F410 HydrophobicContact CG2-CZ 4.16Å; L340-F410 HydrophobicContact CD2-CE1 3.74Å; L340-F410 HydrophobicContact CD2-CZ 3.97Å; C364-F410 HydrophobicContact CB-CE1 4Å; C364-F410 HydrophobicContact CB-CZ 4Å; L393-F410 HydrophobicContact CB-CB 4.14Å; L393-F410 HydrophobicContact CB-CD1 3.63Å; L393-F410 HydrophobicContact CB-CE1 4.18Å; L393-F410 HydrophobicContact CB-CG 4Å; L393-F410 HydrophobicContact CD1-CD1 4.45Å; L393-F410 HydrophobicContact CD1-CD2 4.39Å; L393-F410 HydrophobicContact CD1-CG 4.27Å; L393-F410 HydrophobicContact CD2-CB 4.11Å; S394-F410 CarbonylContact O-C 3.16Å; S394-F410 WeakPolarHBondContact O-CA 3.45Å; S394-F410 WeakPolarHBondContact O-CB 3.4Å; P395-F410 HydrophobicContact CB-CD1 4.14Å; P395-F410 HydrophobicContact CB-CE1 4.13Å; L408-F410 HydrophobicContact CB-CE2 3.85Å; L408-F410 HydrophobicContact CB-CZ 4.14Å; L408-F410 HydrophobicContact CD2-CE1 3.72Å; L408-F410 HydrophobicContact CD2-CE2 3.92Å; L408-F410 HydrophobicContact CD2-CZ 3.33Å; L408-F410 HydrophobicContact CG-CD2 4.25Å; L408-F410 HydrophobicContact CG-CE1 4.12Å; L408-F410 HydrophobicContact CG-CE2 3.7Å; L408-F410 HydrophobicContact CG-CZ 3.66Å; L408-F410 WeakPolarHBondContact O-CD2 3.45Å; F410-I428 CarbonylContact O-C 3.52Å; F410-I428 VanDerWaalsContact O-CA 3.3Å; F410-I428 WeakPolarHBondContact O-CA 3.43Å; F410-I429 PolarHBondContact N-O 3.03Å; F410-I429 PolarHBondContact O-N 3.38Å; F410-L431 HydrophobicContact CD2-CB 4.39Å; F410-L431 HydrophobicContact CE2-CB 3.93Å; F410-L431 HydrophobicContact CE2-CD2 4.21Å
411C97.1Very high95.5Very high0 Ų066.7 Ų66.70%033%0.334CS..EExtended strand (participates in β ladder)trans-104.7152.7158.364.70000109.1S394 R396 D424S394-C411 PolarHBondContact N-O 3.46Å; S394-C411 PolarHBondContact O-N 3.3Å; R396-C411 HydrophobicContact CG-CB 3.87Å; R396-C411 PolarHBondContact NE-SG 3.08Å; R396-C411 PolarHBondContact NH2-SG 2.77Å; R396-C411 VanDerWaalsContact NH2-SG 3.43Å; C411-D424 WeakPolarHBondContact CB-O 3.3Å
412R97.8Very high95.5Very high93 Ų9364.5 Ų64.535%0.35133%0.329SS..EExtended strand (participates in β ladder)trans-69.4146.5174.3-176.4-178.2169.3-152.3-16.2109.7F392 E414 E423 D424 Q427F392-R412 CarbonylContact O-C 3.16Å; F392-R412 WeakPolarHBondContact O-CA 3.49Å; R412-E414 IonicContact NH2-OE2 2.7Å; R412-E414 PolarHBondContact NH2-OE2 3.25Å; R412-E423 WeakPolarHBondContact O-CA 3.48Å; R412-D424 PolarHBondContact O-N 3.32Å; R412-Q427 HydrophobicContact CB-CB 3.77Å; R412-Q427 PolarHBondContact N-O 2.8Å
413T97.5Very high95.7Very high5 Ų561.3 Ų61.33%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-114.7153.5166.968.60000111.7R366 F392 L422 E423R366-T413 HydrophobicContact CB-CG2 4.39Å; R366-T413 WeakPolarHBondContact O-CB 3.29Å; R366-T413 PolarHBondContact O-OG1 2.91Å; F392-T413 VanDerWaalsContact CA-OG1 3.23Å; F392-T413 WeakPolarHBondContact CA-OG1 3.29Å; F392-T413 WeakPolarHBondContact CB-O 3.33Å; F392-T413 WeakPolarHBondContact CD1-O 3.11Å; F392-T413 PolarHBondContact O-N 3.13Å; T413-L422 WeakPolarHBondContact CA-O 3.45Å; T413-L422 WeakPolarHBondContact CB-O 3.42Å; T413-E423 HydrophobicContact CG2-CG 4.11Å
414E96.1Very high95.7Very high76 Ų7660.9 Ų60.936%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-148.1163.1171.467-170.3145.700111.9R412 W421 L422R412-E414 IonicContact NH2-OE2 2.7Å; R412-E414 PolarHBondContact NH2-OE2 3.25Å; E414-W421 WeakPolarHBondContact O-CA 3.31Å; E414-L422 PolarHBondContact N-O 2.92Å; E414-L422 PolarHBondContact O-N 3.35Å
415Q96.1Very high95.7Very high105 Ų10559.9 Ų59.949%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-102.4128.4178.7-167.917426.700109.3G419 N420 W421Q415-G419 PolarHBondContact NE2-O 3.44Å; Q415-N420 CarbonylContact C-O 3.54Å; Q415-N420 VanDerWaalsContact CA-O 3.31Å; Q415-N420 WeakPolarHBondContact CA-O 3.46Å; Q415-W421 HydrophobicContact CB-CD2 4.39Å; Q415-W421 HydrophobicContact CB-CE3 4.36Å; Q415-W421 HydrophobicContact CB-CH2 4.07Å; Q415-W421 HydrophobicContact CB-CZ2 4.07Å; Q415-W421 HydrophobicContact CB-CZ3 4.2Å; Q415-W421 HydrophobicContact CG-CZ2 4.25Å
416T93.1Very high95.5Very high35 Ų3566.8 Ų66.822%0.21533%0.334CS..  trans-73.9169.4174.674.50000111.2E418 G419 N420 L422T416-E418 WeakPolarHBondContact CB-OE2 3.5Å; T416-E418 PolarHBondContact O-N 3.01Å; T416-E418 PolarHBondContact OG1-N 3.14Å; T416-E418 PolarHBondContact OG1-OE2 2.8Å; T416-G419 PolarHBondContact O-N 3.44Å; T416-N420 PolarHBondContact N-O 3.44Å; T416-N420 PolarHBondContact OG1-N 3.01Å; T416-L422 HydrophobicContact CG2-CD1 3.38Å; T416-L422 HydrophobicContact CG2-CG 3.64Å
417E91.1Very high95.5Very high198 Ų19868.7 Ų68.793%0.92534%0.337SS*.THydrogen-bonded Turntrans-59.6-30.4175.4-64.2-173.3174.300112.3G419E417-G419 PolarHBondContact O-N 3.19Å
418E92.1Very high95.5Very high144 Ų14472.7 Ų72.767%0.67336%0.357SS*.THydrogen-bonded Turntrans-79.4-1.8175.5-50.179.1-170.500113.4T416T416-E418 WeakPolarHBondContact CB-OE2 3.5Å; T416-E418 PolarHBondContact O-N 3.01Å; T416-E418 PolarHBondContact OG1-N 3.14Å; T416-E418 PolarHBondContact OG1-OE2 2.8Å
419G89.6Confident95.5Very high28 Ų2876.3 Ų76.329%0.28938%0.376SS..SBendtrans85.71.8178.500000115.2Q415 T416 E417Q415-G419 PolarHBondContact NE2-O 3.44Å; T416-G419 PolarHBondContact O-N 3.44Å; E417-G419 PolarHBondContact O-N 3.19Å
420N93.5Very high95.4Very high104 Ų10483.1 Ų83.156%0.55640%0.4SS*.  trans-72.9154175-68.7-45.5000111Q415 T416Q415-N420 CarbonylContact C-O 3.54Å; Q415-N420 VanDerWaalsContact CA-O 3.31Å; Q415-N420 WeakPolarHBondContact CA-O 3.46Å; T416-N420 PolarHBondContact N-O 3.44Å; T416-N420 PolarHBondContact OG1-N 3.01Å
421W95.4Very high95.4Very high70 Ų7084.2 Ų84.227%0.26541%0.406SS..EExtended strand (participates in β ladder)trans-103.6125.4179.1-70.181000110.1K367 F392 E414 Q415K367-W421 HydrophobicContact CB-CH2 3.58Å; K367-W421 HydrophobicContact CB-CZ2 3.89Å; K367-W421 HydrophobicContact CB-CZ3 3.97Å; K367-W421 HydrophobicContact CD-CD2 4.22Å; K367-W421 HydrophobicContact CD-CH2 4.14Å; K367-W421 HydrophobicContact CD-CZ2 3.55Å; K367-W421 VanDerWaalsContact CE-CE2 3.48Å; K367-W421 HydrophobicContact CG-CD2 3.97Å; K367-W421 HydrophobicContact CG-CE3 4.04Å; K367-W421 HydrophobicContact CG-CH2 3.71Å; K367-W421 HydrophobicContact CG-CZ2 3.64Å; K367-W421 HydrophobicContact CG-CZ3 3.92Å; F392-W421 HydrophobicContact CD1-CH2 4.39Å; F392-W421 AromaticContact CD1-CZ3 3.85Å; F392-W421 HydrophobicContact CD1-CZ3 3.85Å; F392-W421 AromaticContact CE1-CH2 3.9Å; F392-W421 HydrophobicContact CE1-CH2 3.9Å; F392-W421 AromaticContact CE1-CZ3 3.78Å; F392-W421 HydrophobicContact CE1-CZ3 3.78Å; E414-W421 WeakPolarHBondContact O-CA 3.31Å; Q415-W421 HydrophobicContact CB-CD2 4.39Å; Q415-W421 HydrophobicContact CB-CE3 4.36Å; Q415-W421 HydrophobicContact CB-CH2 4.07Å; Q415-W421 HydrophobicContact CB-CZ2 4.07Å; Q415-W421 HydrophobicContact CB-CZ3 4.2Å; Q415-W421 HydrophobicContact CG-CZ2 4.25Å
422L95.7Very high95.5Very high96 Ų9692.5 Ų92.550%0.50344%0.442SS..EExtended strand (participates in β ladder)trans-108.7152.3174.8-64.9176.8000110.4T413 E414 T416T413-L422 WeakPolarHBondContact CA-O 3.45Å; T413-L422 WeakPolarHBondContact CB-O 3.42Å; E414-L422 PolarHBondContact N-O 2.92Å; E414-L422 PolarHBondContact O-N 3.35Å; T416-L422 HydrophobicContact CG2-CD1 3.38Å; T416-L422 HydrophobicContact CG2-CG 3.64Å
423E96.1Very high95.5Very high85 Ų8588.1 Ų88.140%0.39743%0.426SS..EExtended strand (participates in β ladder)trans-112.5121.5173-57.7-174.1141.300107.7S394 R396 R412 T413S394-E423 WeakPolarHBondContact CB-OE1 3.29Å; S394-E423 PolarHBondContact OG-OE1 2.97Å; R396-E423 IonicContact CZ-OE2 2.73Å; R396-E423 IonicContact NH1-OE1 2.71Å; R396-E423 IonicContact NH1-OE2 3.31Å; R396-E423 PolarHBondContact NH1-OE2 3.27Å; R396-E423 VanDerWaalsContact NH2-CB 3.27Å; R396-E423 IonicContact NH2-OE2 3.6Å; R396-E423 PolarHBondContact NH2-OE2 3.47Å; R412-E423 WeakPolarHBondContact O-CA 3.48Å; T413-E423 HydrophobicContact CG2-CG 4.11Å
424D95.1Very high95.5Very high40 Ų4091.2 Ų91.221%0.21444%0.442CS..EExtended strand (participates in β ladder)trans-93.7104.2178.8-175.1-36.6000109.2C411 R412 D426 Q427C411-D424 WeakPolarHBondContact CB-O 3.3Å; R412-D424 PolarHBondContact O-N 3.32Å; D424-D426 VanDerWaalsContact C-N 3.27Å; D424-D426 PolarHBondContact O-N 2.83Å; D424-D426 WeakPolarHBondContact OD1-CB 3.27Å; D424-D426 PolarHBondContact OD1-N 3.25Å; D424-Q427 HydrophobicContact CB-CB 4.22Å; D424-Q427 HydrophobicContact CB-CG 4.48Å; D424-Q427 PolarHBondContact O-N 2.9Å; D424-Q427 PolarHBondContact OD1-N 3.13Å; D424-Q427 PolarHBondContact OD2-NE2 3.22Å
425E94.6Very high95.6Very high111 Ų11188.5 Ų88.552%0.51943%0.429SS..EExtended strand (participates in β ladder)trans-68.9-23-176.9-59-68.1-172.300113.6R396 I428R396-E425 IonicContact CZ-OE1 3.19Å; R396-E425 VanDerWaalsContact CZ-OE1 3.24Å; R396-E425 IonicContact CZ-OE2 2.78Å; R396-E425 IonicContact NE-OE1 3.67Å; R396-E425 PolarHBondContact NE-OE1 3.26Å; R396-E425 IonicContact NE-OE2 2.64Å; R396-E425 PolarHBondContact NE-OE2 3.1Å; R396-E425 IonicContact NH2-OE1 2.71Å; R396-E425 PolarHBondContact NH2-OE1 2.95Å; R396-E425 IonicContact NH2-OE2 3.3Å; R396-E425 PolarHBondContact NH2-OE2 2.71Å; E425-I428 WeakPolarHBondContact O-CG2 3.44Å
426D95.6Very high95.8Very high154 Ų15483.5 Ų83.582%0.82441%0.406SS*.EExtended strand (participates in β ladder)trans-81-28.9-180-67.1-32.6000110.9D424 I428D424-D426 VanDerWaalsContact C-N 3.27Å; D424-D426 PolarHBondContact O-N 2.83Å; D424-D426 WeakPolarHBondContact OD1-CB 3.27Å; D424-D426 PolarHBondContact OD1-N 3.25Å; D426-I428 PolarHBondContact O-N 2.95Å
427Q97Very high96Very high76 Ų7681.9 Ų81.936%0.35540%0.395SS..EExtended strand (participates in β ladder)trans-88.778.5178.5-67.2-174.558.700112.1R412 D424R412-Q427 HydrophobicContact CB-CB 3.77Å; R412-Q427 PolarHBondContact N-O 2.8Å; D424-Q427 HydrophobicContact CB-CB 4.22Å; D424-Q427 HydrophobicContact CB-CG 4.48Å; D424-Q427 PolarHBondContact O-N 2.9Å; D424-Q427 PolarHBondContact OD1-N 3.13Å; D424-Q427 PolarHBondContact OD2-NE2 3.22Å
428I97.3Very high96.3Very high83 Ų8372.5 Ų72.543%0.42635%0.352SS..EExtended strand (participates in β ladder)trans-91.8147.1-179.265.4169.6000114.4Q409 F410 E425 D426Q409-I428 HydrophobicContact CG-CB 4.48Å; F410-I428 CarbonylContact O-C 3.52Å; F410-I428 VanDerWaalsContact O-CA 3.3Å; F410-I428 WeakPolarHBondContact O-CA 3.43Å; E425-I428 WeakPolarHBondContact O-CG2 3.44Å; D426-I428 PolarHBondContact O-N 2.95Å
429I97.4Very high96.6Very high77 Ų7765.8 Ų65.840%0.39532%0.321SS..EExtended strand (participates in β ladder)trans-128.2128.5171.4-69.8161.7000109.2L393 Q409 F410L393-I429 HydrophobicContact CD2-CD1 3.44Å; L393-I429 VanDerWaalsContact CD2-CD1 3.44Å; Q409-I429 CarbonylContact C-O 3.1Å; Q409-I429 VanDerWaalsContact CA-O 3.31Å; Q409-I429 WeakPolarHBondContact CA-O 3.22Å; F410-I429 PolarHBondContact N-O 3.03Å; F410-I429 PolarHBondContact O-N 3.38Å
430R97.6Very high96.8Very high165 Ų16567.5 Ų67.562%0.62332%0.321SS*.EExtended strand (participates in β ladder)trans-107.1102.3174.1-67.8-179.6176.5-172.2-3.3110I399 Q409I399-R430 HydrophobicContact CD1-CB 4.32Å; I399-R430 HydrophobicContact CD1-CG 4.22Å; Q409-R430 HydrophobicContact CB-CG 4.28Å; Q409-R430 HydrophobicContact CG-CG 4.06Å
431L98.1Very high96.7Very high23 Ų2363.5 Ų63.512%0.1230%0.304CS..EExtended strand (participates in β ladder)trans-94.4122.7-179.7-17259.5000110I338 Y362 L390 G407 L408 F410I338-L431 HydrophobicContact CD1-CB 4.09Å; I338-L431 HydrophobicContact CD1-CD2 3.62Å; I338-L431 HydrophobicContact CD1-CG 3.88Å; I338-L431 HydrophobicContact CG1-CD2 3.83Å; I338-L431 HydrophobicContact CG1-CG 4.39Å; Y362-L431 HydrophobicContact CD1-CD2 4.46Å; Y362-L431 HydrophobicContact CD2-CD1 4.42Å; Y362-L431 HydrophobicContact CD2-CD2 4.08Å; Y362-L431 HydrophobicContact CD2-CG 4.49Å; Y362-L431 HydrophobicContact CE2-CD1 4.12Å; Y362-L431 HydrophobicContact CG-CD2 4Å; L390-L431 HydrophobicContact CD1-CD1 4.43Å; L390-L431 HydrophobicContact CD1-CD2 3.6Å; G407-L431 CarbonylContact C-O 3.57Å; G407-L431 WeakPolarHBondContact CA-O 3.31Å; L408-L431 PolarHBondContact N-O 3.02Å; L408-L431 PolarHBondContact O-N 3.26Å; F410-L431 HydrophobicContact CD2-CB 4.39Å; F410-L431 HydrophobicContact CE2-CB 3.93Å; F410-L431 HydrophobicContact CE2-CD2 4.21Å
432K98.3Very high96.6Very high174 Ų17461.6 Ų61.676%0.75730%0.302SS*.EExtended strand (participates in β ladder)trans-69132.8174.9-68.9-178.5-179.9176.90110.1V336V336-K432 WeakPolarHBondContact CG1-O 3.47Å
433A97.9Very high96.5Very high2 Ų260.3 Ų60.32%0.01729%0.294CS..  trans-155.2152.1178.500000110.6V336 I338 I405 A406 G407V336-A433 HydrophobicContact CG1-CB 4.44Å; I338-A433 HydrophobicContact CB-CB 4.5Å; I338-A433 HydrophobicContact CD1-CB 3.43Å; I338-A433 VanDerWaalsContact CD1-CB 3.43Å; I338-A433 HydrophobicContact CG1-CB 3.66Å; I405-A433 CarbonylContact C-O 3.51Å; A406-A433 CarbonylContact C-O 3.19Å; A406-A433 VanDerWaalsContact CA-O 3.22Å; A406-A433 WeakPolarHBondContact CA-O 3.44Å; A406-A433 PolarHBondContact O-N 2.83Å; G407-A433 PolarHBondContact N-O 3.06Å
434D98.3Very high96.4Very high69 Ų6956.7 Ų56.737%0.36928%0.277SS..SBendtrans-101.7-25.8175-53.8-83.3000110.5G335 V336G335-D434 VanDerWaalsContact CA-OD2 3.31Å; G335-D434 WeakPolarHBondContact CA-OD2 3.4Å; V336-D434 PolarHBondContact N-OD2 3.05Å; V336-D434 PolarHBondContact O-N 3Å
435Y98.6Very high96.1Very high20 Ų2059 Ų598%0.07829%0.289CS..EExtended strand (participates in β ladder)trans-137.2146.8-179.8-53.4-88000111.8G304 F306 E332 L333 K334 V336 V337 I338G304-Y435 WeakPolarHBondContact O-CA 3.47Å; F306-Y435 HydrophobicContact CE2-CD1 4.08Å; E332-Y435 PolarHBondContact O-OH 3.26Å; L333-Y435 HydrophobicContact CB-CD2 4.33Å; L333-Y435 HydrophobicContact CB-CE2 4.29Å; L333-Y435 HydrophobicContact CD2-CD1 3.53Å; L333-Y435 HydrophobicContact CD2-CD2 4.16Å; L333-Y435 HydrophobicContact CD2-CE1 3.64Å; L333-Y435 HydrophobicContact CD2-CE2 4.3Å; L333-Y435 HydrophobicContact CD2-CG 3.81Å; K334-Y435 WeakPolarHBondContact O-CE2 3.44Å; V336-Y435 PolarHBondContact O-N 3.29Å; V337-Y435 HydrophobicContact CG2-CD2 4.16Å; I338-Y435 PolarHBondContact N-O 3.16Å
436I98.6Very high95.9Very high0 Ų055.7 Ų55.70%028%0.275CS..EExtended strand (participates in β ladder)trans-126.3130.1173.3-62.4168.6000108.3F296 G304 F305 F306 I338 L340 V398 I405 L408F296-I436 HydrophobicContact CE1-CG2 4.28Å; F296-I436 HydrophobicContact CZ-CG2 4.44Å; G304-I436 PolarHBondContact O-N 3.43Å; F305-I436 WeakPolarHBondContact CA-O 3.22Å; F305-I436 HydrophobicContact CD2-CB 4.02Å; F305-I436 HydrophobicContact CD2-CG2 3.97Å; F305-I436 HydrophobicContact CE2-CG2 3.98Å; F306-I436 PolarHBondContact N-O 3.41Å; I338-I436 HydrophobicContact CB-CG1 4.47Å; I338-I436 CarbonylContact O-C 3.03Å; I338-I436 WeakPolarHBondContact O-CA 3.31Å; L340-I436 HydrophobicContact CD1-CG2 3.84Å; L340-I436 HydrophobicContact CG-CG2 4.33Å; V398-I436 HydrophobicContact CG1-CD1 3.95Å; V398-I436 HydrophobicContact CG2-CD1 4.18Å; I405-I436 HydrophobicContact CD1-CB 4.26Å; I405-I436 HydrophobicContact CD1-CD1 3.99Å; I405-I436 HydrophobicContact CD1-CG1 4.13Å; I405-I436 HydrophobicContact CG2-CD1 3.92Å; I405-I436 HydrophobicContact CG2-CG1 4.14Å; L408-I436 HydrophobicContact CB-CD1 4Å; L408-I436 HydrophobicContact CD1-CD1 4.33Å; L408-I436 HydrophobicContact CD2-CD1 4.11Å; L408-I436 HydrophobicContact CG-CD1 4.39Å
437I98.5Very high95.7Very high0 Ų052.9 Ų52.90%027%0.265CS..EExtended strand (participates in β ladder)trans-118.5112.3175-50.5177.9000108.7F306 F311 V337 I338 V339 L340 C349 A353F306-I437 HydrophobicContact CB-CG1 4.34Å; F306-I437 HydrophobicContact CB-CG2 4.4Å; F306-I437 HydrophobicContact CD2-CG1 4.48Å; F306-I437 CarbonylContact O-C 3.53Å; F306-I437 VanDerWaalsContact O-CA 3.29Å; F306-I437 WeakPolarHBondContact O-CA 3.41Å; F311-I437 HydrophobicContact CB-CG2 4.29Å; F311-I437 HydrophobicContact CD1-CD1 3.73Å; F311-I437 HydrophobicContact CD1-CG2 4.36Å; F311-I437 HydrophobicContact CD2-CD1 4.26Å; F311-I437 HydrophobicContact CE1-CD1 3.75Å; F311-I437 HydrophobicContact CE2-CD1 4.31Å; F311-I437 HydrophobicContact CG-CD1 3.99Å; F311-I437 HydrophobicContact CZ-CD1 4.06Å; V337-I437 HydrophobicContact CG1-CD1 3.71Å; V337-I437 HydrophobicContact CG1-CG1 3.96Å; I338-I437 PolarHBondContact O-N 3.01Å; V339-I437 WeakPolarHBondContact CA-O 3.39Å; V339-I437 HydrophobicContact CG2-CB 4.31Å; V339-I437 HydrophobicContact CG2-CD1 4.36Å; L340-I437 PolarHBondContact N-O 3.09Å; C349-I437 HydrophobicContact CB-CG2 4.01Å; A353-I437 HydrophobicContact CB-CD1 4.38Å
438S98Very high95.6Very high2 Ų255.6 Ų55.61%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-83.9117.7175.7-179.30000111.1F306 T307 S308 F440F306-S438 PolarHBondContact O-N 2.79Å; T307-S438 CarbonylContact C-O 3.5Å; T307-S438 WeakPolarHBondContact CA-O 3.44Å; S308-S438 PolarHBondContact N-O 2.8Å; S438-F440 WeakPolarHBondContact OG-CD2 3.36Å
439A97.4Very high95.4Very high3 Ų352.1 Ų52.13%0.02526%0.261CS..  trans-121.145.9179.600000111.6V339 L340 T345 A346 G441V339-A439 HydrophobicContact CG1-CB 4.34Å; L340-A439 CarbonylContact O-C 3.58Å; L340-A439 WeakPolarHBondContact O-CA 3.32Å; L340-A439 WeakPolarHBondContact O-CB 3.35Å; L340-A439 PolarHBondContact O-N 2.88Å; T345-A439 HydrophobicContact CG2-CB 4.11Å; A346-A439 HydrophobicContact CB-CB 3.88Å; A439-G441 PolarHBondContact O-N 3.4Å
440F94.6Very high95.2Very high63 Ų6350.1 Ų50.128%0.27625%0.252SS..SBendtrans-76.93.5-178.8-62.8-27.2000115.2N291 A293 F296 L340 P395 S438N291-F440 HydrophobicContact CB-CB 4.12Å; A293-F440 HydrophobicContact CB-CD2 4.41Å; A293-F440 HydrophobicContact CB-CE2 3.99Å; F296-F440 AromaticContact CE2-CE2 3.94Å; F296-F440 HydrophobicContact CE2-CE2 3.94Å; F296-F440 HydrophobicContact CE2-CZ 4.37Å; L340-F440 HydrophobicContact CB-CD1 4.42Å; L340-F440 HydrophobicContact CB-CE1 3.55Å; L340-F440 HydrophobicContact CB-CZ 3.81Å; L340-F440 HydrophobicContact CD1-CZ 4.08Å; P395-F440 HydrophobicContact CG-CZ 4.26Å; S438-F440 WeakPolarHBondContact OG-CD2 3.36Å
441G91.5Very high95.1Very high20 Ų2045.4 Ų45.421%0.20625%0.249CC..  trans99.9-169.5-176.500000112.3N291 A439N291-G441 WeakPolarHBondContact CB-O 3.5Å; N291-G441 PolarHBondContact N-O 3.35Å; A439-G441 PolarHBondContact O-N 3.4Å
442S93.1Very high95Very high31 Ų3144.5 Ų44.522%0.21724%0.244CC..EExtended strand (participates in β ladder)trans-127.6160.2-173.2-44.90000110.6L287 Q289 K309L287-S442 VanDerWaalsContact O-CB 3.24Å; L287-S442 WeakPolarHBondContact O-CB 3.3Å; Q289-S442 CarbonylContact O-C 3.56Å; Q289-S442 WeakPolarHBondContact O-CA 3.32Å; Q289-S442 VanDerWaalsContact O-CB 3.29Å; Q289-S442 WeakPolarHBondContact O-CB 3.16Å; K309-S442 VanDerWaalsContact CE-OG 3.29Å; K309-S442 WeakPolarHBondContact CE-OG 3.29Å; K309-S442 PolarHBondContact NZ-OG 3.01Å
443M93.3Very high94.9Very high69 Ų6936.2 Ų36.234%0.3421%0.208SC..EExtended strand (participates in β ladder)trans-143.8169.6-176.7-55.6-171.3-53.600110.6L287 Q289 N291L287-M443 CarbonylContact C-O 3.52Å; Q289-M443 PolarHBondContact N-O 2.88Å; Q289-M443 VanDerWaalsContact N-O 3.09Å; Q289-M443 PolarHBondContact O-N 2.93Å; Q289-M443 PolarHBondContact OE1-O 3.05Å; N291-M443 HydrophobicContact CB-CE 4.32Å; N291-M443 HydrophobicContact CB-CG 4.09Å; N291-M443 HydrophobicContact CB-SD 4.11Å
444L92.6Very high94.7Very high9 Ų938.6 Ų38.65%0.04723%0.228CC..  trans-113.2100167.4-179.559.7000109.1I285 L287 P288 V449 T450 M453 V484I285-L444 HydrophobicContact CD1-CD1 4.31Å; L287-L444 HydrophobicContact CD2-CB 4.14Å; P288-L444 HydrophobicContact CG-CD1 4.46Å; L444-V449 HydrophobicContact CD1-CB 4.36Å; L444-V449 HydrophobicContact CD1-CG1 3.9Å; L444-T450 HydrophobicContact CG-CG2 4.27Å; L444-M453 HydrophobicContact CD2-CE 3.59Å; L444-V484 HydrophobicContact CD2-CG2 4.11Å
445N88.8Confident94.6Very high88 Ų8839 Ų3947%0.47123%0.234SC..  trans-135.88.3-175.568.5-7.2000114.6Q289 P447Q289-N445 VanDerWaalsContact CB-OD1 3.25Å; Q289-N445 WeakPolarHBondContact CB-OD1 3.29Å; Q289-N445 VanDerWaalsContact CG-OD1 3.24Å; Q289-N445 WeakPolarHBondContact CG-OD1 3.17Å; N445-P447 VanDerWaalsContact O-CD 3.26Å; N445-P447 WeakPolarHBondContact O-CD 3.34Å
446D91.5Very high94.5Very high41 Ų4138.4 Ų38.422%0.21923%0.233CC..  trans-75.9114.1174.1-176.5-21.1000110.4Q289 Q448 V449 T450Q289-D446 VanDerWaalsContact NE2-CB 3.33Å; D446-Q448 PolarHBondContact O-N 3.3Å; D446-Q448 WeakPolarHBondContact OD1-CB 3.25Å; D446-Q448 PolarHBondContact OD1-N 3.49Å; D446-V449 HydrophobicContact CB-CB 4.19Å; D446-V449 HydrophobicContact CB-CG2 3.91Å; D446-V449 PolarHBondContact O-N 2.96Å; D446-V449 VanDerWaalsContact O-N 3.14Å; D446-T450 PolarHBondContact O-N 2.88Å; D446-T450 VanDerWaalsContact O-N 3.07Å; D446-T450 PolarHBondContact O-OG1 3.46Å
447P91.8Very high94.4Very high95 Ų9544.7 Ų44.762%0.61726%0.26SS*.Hα-helixtrans-60.9-27.8-177.7-23.535.4000113.7N445 T450 A451N445-P447 VanDerWaalsContact O-CD 3.26Å; N445-P447 WeakPolarHBondContact O-CD 3.34Å; P447-T450 WeakPolarHBondContact CA-OG1 3.47Å; P447-T450 PolarHBondContact O-OG1 3Å; P447-A451 WeakPolarHBondContact O-CB 3.37Å; P447-A451 PolarHBondContact O-N 3.29Å
448Q93.5Very high94.3Very high133 Ų13347.7 Ų47.762%0.62128%0.276SS*.Hα-helixtrans-71.5-39.4178.8-63-175.9-1.200110.9D446 A452D446-Q448 PolarHBondContact O-N 3.3Å; D446-Q448 WeakPolarHBondContact OD1-CB 3.25Å; D446-Q448 PolarHBondContact OD1-N 3.49Å; Q448-A452 VanDerWaalsContact O-CB 3.27Å; Q448-A452 WeakPolarHBondContact O-CB 3.24Å; Q448-A452 PolarHBondContact O-N 2.87Å
449V94.3Very high94.1Very high10 Ų1049.9 Ų49.96%0.06129%0.289CS..Hα-helixtrans-70.1-43.8178-179.50000110.5L263 I285 L444 D446 A452 M453L263-V449 HydrophobicContact CB-CG1 4.35Å; I285-V449 HydrophobicContact CD1-CG1 3.79Å; L444-V449 HydrophobicContact CD1-CB 4.36Å; L444-V449 HydrophobicContact CD1-CG1 3.9Å; D446-V449 HydrophobicContact CB-CB 4.19Å; D446-V449 HydrophobicContact CB-CG2 3.91Å; D446-V449 PolarHBondContact O-N 2.96Å; D446-V449 VanDerWaalsContact O-N 3.14Å; V449-A452 WeakPolarHBondContact O-CB 3.41Å; V449-A452 PolarHBondContact O-N 2.67Å; V449-M453 PolarHBondContact O-N 2.85Å
450T93.2Very high93.7Very high36 Ų3660.1 Ų60.122%0.22133%0.327CS..Hα-helixtrans-66.3-40.917856.20000112L444 D446 P447 A452 M453 L458L444-T450 HydrophobicContact CG-CG2 4.27Å; D446-T450 PolarHBondContact O-N 2.88Å; D446-T450 VanDerWaalsContact O-N 3.07Å; D446-T450 PolarHBondContact O-OG1 3.46Å; P447-T450 WeakPolarHBondContact CA-OG1 3.47Å; P447-T450 PolarHBondContact O-OG1 3Å; T450-A452 VanDerWaalsContact C-N 3.31Å; T450-A452 PolarHBondContact O-N 3.2Å; T450-M453 HydrophobicContact CG2-CE 4.18Å; T450-M453 PolarHBondContact O-N 3.31Å; T450-L458 HydrophobicContact CG2-CD1 4.25Å
451A94.4Very high93.2Very high66 Ų6665.9 Ų65.955%0.54535%0.347SS..Hα-helixtrans-62-37.7172.800000112.3P447 M453 A454P447-A451 WeakPolarHBondContact O-CB 3.37Å; P447-A451 PolarHBondContact O-N 3.29Å; A451-M453 PolarHBondContact O-N 3.48Å; A451-A454 WeakPolarHBondContact O-CB 3.48Å; A451-A454 PolarHBondContact O-N 3.36Å; A451-A454 VanDerWaalsContact O-N 3.12Å
452A95.9Very high93Very high3 Ų365.9 Ų65.93%0.02535%0.347CS..Hα-helixtrans-66.2-18.5177.500000114L263 T269 L270 Q448 V449 T450L263-A452 HydrophobicContact CB-CB 4.07Å; L263-A452 HydrophobicContact CD2-CB 4.15Å; T269-A452 WeakPolarHBondContact CA-O 3.38Å; T269-A452 HydrophobicContact CG2-CB 3.9Å; L270-A452 PolarHBondContact N-O 2.83Å; Q448-A452 VanDerWaalsContact O-CB 3.27Å; Q448-A452 WeakPolarHBondContact O-CB 3.24Å; Q448-A452 PolarHBondContact O-N 2.87Å; V449-A452 WeakPolarHBondContact O-CB 3.41Å; V449-A452 PolarHBondContact O-N 2.67Å; T450-A452 VanDerWaalsContact C-N 3.31Å; T450-A452 PolarHBondContact O-N 3.2Å
453M96Very high93Very high1 Ų165 Ų651%0.00534%0.341CS..THydrogen-bonded Turntrans-87.2-4174.5-66.5-171.9-65.400113.9L263 L270 I283 L444 V449 T450 A451 V456 L458 P464L263-M453 HydrophobicContact CD1-CG 3.81Å; L263-M453 HydrophobicContact CD1-SD 4.49Å; L270-M453 HydrophobicContact CD1-CB 4.39Å; L270-M453 VanDerWaalsContact CD1-O 3.24Å; L270-M453 WeakPolarHBondContact CD1-O 3.44Å; I283-M453 HydrophobicContact CD1-CG 4.34Å; I283-M453 HydrophobicContact CD1-SD 4.21Å; I283-M453 HydrophobicContact CG2-SD 4.45Å; L444-M453 HydrophobicContact CD2-CE 3.59Å; V449-M453 PolarHBondContact O-N 2.85Å; T450-M453 HydrophobicContact CG2-CE 4.18Å; T450-M453 PolarHBondContact O-N 3.31Å; A451-M453 PolarHBondContact O-N 3.48Å; M453-V456 VanDerWaalsContact O-CB 3.25Å; M453-V456 WeakPolarHBondContact O-CB 3.45Å; M453-V456 WeakPolarHBondContact O-CG2 3.44Å; M453-V456 PolarHBondContact O-N 2.73Å; M453-L458 HydrophobicContact CE-CD2 3.94Å; M453-P464 HydrophobicContact SD-CG 3.98Å
454A94.6Very high93.1Very high51 Ų5161.8 Ų61.842%0.42133%0.325SS..THydrogen-bonded Turntrans-60140.7177.800000111.5A451A451-A454 WeakPolarHBondContact O-CB 3.48Å; A451-A454 PolarHBondContact O-N 3.36Å; A451-A454 VanDerWaalsContact O-N 3.12Å
455P95.7Very high93.3Very high77 Ų7766.2 Ų66.250%0.535%0.345SS..THydrogen-bonded Turncis-96.921.58.739.5-37.1000115.2K457 E475P455-K457 PolarHBondContact O-N 3.18Å; P455-E475 HydrophobicContact CG-CG 4.09Å
456V97.1Very high93.7Very high9 Ų963.4 Ų63.46%0.05533%0.33CS..SBendtrans-56.1129.8179.2172.50000110.6L270 M453 L458 P464 T473 E475 V478L270-V456 HydrophobicContact CD1-CG2 3.61Å; M453-V456 VanDerWaalsContact O-CB 3.25Å; M453-V456 WeakPolarHBondContact O-CB 3.45Å; M453-V456 WeakPolarHBondContact O-CG2 3.44Å; M453-V456 PolarHBondContact O-N 2.73Å; V456-L458 PolarHBondContact O-N 2.76Å; V456-P464 HydrophobicContact CG1-CB 4.07Å; V456-T473 HydrophobicContact CG1-CG2 4.04Å; V456-E475 HydrophobicContact CG2-CB 4.32Å; V456-E475 HydrophobicContact CG2-CG 3.97Å; V456-V478 HydrophobicContact CG2-CB 4.36Å; V456-V478 HydrophobicContact CG2-CG1 4.09Å
457K97Very high94Very high131 Ų13165.5 Ų65.557%0.5734%0.341SS*.  trans-65.6132.6174.3-69.1-177.6-178.4178.60110P455 E465 S474P455-K457 PolarHBondContact O-N 3.18Å; K457-E465 HydrophobicContact CB-CB 4.32Å; K457-E465 WeakPolarHBondContact O-CB 3.44Å; K457-E465 PolarHBondContact O-N 3.31Å; K457-S474 PolarHBondContact N-OG 3.01Å
458L95.3Very high94.1Very high64 Ų6467.6 Ų67.634%0.33534%0.344SS..BIsolated β-bridgetrans-105146.1176.3-55.5-178.9000109.8T450 M453 V456 T463 P464T450-L458 HydrophobicContact CG2-CD1 4.25Å; M453-L458 HydrophobicContact CE-CD2 3.94Å; V456-L458 PolarHBondContact O-N 2.76Å; L458-T463 CarbonylContact C-O 3.54Å; L458-T463 VanDerWaalsContact CA-O 3.24Å; L458-T463 WeakPolarHBondContact CA-O 3.31Å; L458-P464 HydrophobicContact CD2-CG 4.41Å
459T93.8Very high94.2Very high47 Ų4767.2 Ų67.229%0.28834%0.342SS..  trans-71172.517276.60000110.8W461 G462 T463 E465T459-W461 PolarHBondContact O-N 2.78Å; T459-W461 PolarHBondContact OG1-N 3.23Å; T459-W461 VanDerWaalsContact OG1-N 3.15Å; T459-G462 PolarHBondContact O-N 2.88Å; T459-T463 PolarHBondContact N-O 2.66Å; T459-T463 PolarHBondContact OG1-O 2.94Å; T459-T463 PolarHBondContact OG1-OG1 3.14Å; T459-E465 HydrophobicContact CG2-CB 4.14Å
460R88.7Confident94.4Very high219 Ų21968 Ų6883%0.82635%0.347SS*.THydrogen-bonded Turntrans-57-18171.971.4177.3-178.7-175.1-3.5114.3
461W84.3Confident94.6Very high183 Ų18366.7 Ų66.769%0.69334%0.339SS*.THydrogen-bonded Turntrans-94.93.6-179.4-56115.3000113T459 T463T459-W461 PolarHBondContact O-N 2.78Å; T459-W461 PolarHBondContact OG1-N 3.23Å; T459-W461 VanDerWaalsContact OG1-N 3.15Å; W461-T463 VanDerWaalsContact C-N 3.26Å; W461-T463 PolarHBondContact O-N 3.35Å
462G87.6Confident94.8Very high20 Ų2066.3 Ų66.321%0.20633%0.325CS..SBendtrans79.52.8179.800000114.8T459T459-G462 PolarHBondContact O-N 2.88Å
463T93.3Very high95Very high14 Ų1466.7 Ų66.79%0.08633%0.328CS..SBendtrans-88.4155.2175.153.70000112L287 L458 T459 W461 E465 V484L287-T463 HydrophobicContact CD2-CG2 4.19Å; L458-T463 CarbonylContact C-O 3.54Å; L458-T463 VanDerWaalsContact CA-O 3.24Å; L458-T463 WeakPolarHBondContact CA-O 3.31Å; T459-T463 PolarHBondContact N-O 2.66Å; T459-T463 PolarHBondContact OG1-O 2.94Å; T459-T463 PolarHBondContact OG1-OG1 3.14Å; W461-T463 VanDerWaalsContact C-N 3.26Å; W461-T463 PolarHBondContact O-N 3.35Å; T463-E465 PolarHBondContact O-N 3.22Å; T463-V484 WeakPolarHBondContact CB-O 3.22Å; T463-V484 WeakPolarHBondContact CG2-O 3.45Å
464P95.8Very high95Very high1 Ų168.9 Ų68.91%0.00634%0.343CS..BIsolated β-bridgetrans-56.8133.1172.9-25.536000112.8M453 V456 L458 T473 A480 V484M453-P464 HydrophobicContact SD-CG 3.98Å; V456-P464 HydrophobicContact CG1-CB 4.07Å; L458-P464 HydrophobicContact CD2-CG 4.41Å; P464-T473 HydrophobicContact CB-CG2 4.37Å; P464-A480 HydrophobicContact CB-CB 4.26Å; P464-A480 HydrophobicContact CG-CB 4.42Å; P464-V484 WeakPolarHBondContact CD-O 3.47Å; P464-V484 HydrophobicContact CG-CG2 4.33Å
465E96.1Very high95.2Very high102 Ų10268.7 Ų68.748%0.47733%0.333SS..PPolyproline II helixtrans-74.8126.2167.8-174.2-178.9-174.500109.1K457 T459 T463 T473K457-E465 HydrophobicContact CB-CB 4.32Å; K457-E465 WeakPolarHBondContact O-CB 3.44Å; K457-E465 PolarHBondContact O-N 3.31Å; T459-E465 HydrophobicContact CG2-CB 4.14Å; T463-E465 PolarHBondContact O-N 3.22Å; E465-T473 WeakPolarHBondContact O-CA 3.38Å
466I97.3Very high95.3Very high29 Ų2968.2 Ų68.215%0.14933%0.33CS..BIsolated β-bridgetrans-129155.2-179.161.4159.9000112.6M471 Q472 T473 A480 A485 L487I466-M471 HydrophobicContact CD1-SD 3.88Å; I466-Q472 CarbonylContact C-O 3.4Å; I466-Q472 VanDerWaalsContact CA-O 3.27Å; I466-Q472 WeakPolarHBondContact CA-O 3.41Å; I466-T473 HydrophobicContact CG2-CG2 3.98Å; I466-A480 HydrophobicContact CG2-CB 3.96Å; I466-A485 HydrophobicContact CD1-CB 3.64Å; I466-A485 HydrophobicContact CG1-CB 4.47Å; I466-L487 HydrophobicContact CD1-CD1 3.89Å
467N97.7Very high95.4Very high84 Ų8468.5 Ų68.545%0.44933%0.33SS..  trans-78.6120.3162.7175.3-64.9000109.4E469 T470 M471 Q472N467-E469 PolarHBondContact O-N 3.39Å; N467-E469 PolarHBondContact OD1-N 2.86Å; N467-T470 VanDerWaalsContact CB-OG1 3.27Å; N467-T470 WeakPolarHBondContact CB-OG1 3.32Å; N467-T470 PolarHBondContact O-N 3.42Å; N467-T470 PolarHBondContact OD1-N 3.41Å; N467-T470 PolarHBondContact OD1-OG1 3.32Å; N467-M471 VanDerWaalsContact O-CA 3.3Å; N467-M471 WeakPolarHBondContact O-CA 3.25Å; N467-M471 PolarHBondContact O-N 2.89Å; N467-Q472 PolarHBondContact N-O 2.77Å
468M95.8Very high95.4Very high139 Ų13962.2 Ų62.269%0.68530%0.303SS*.THydrogen-bonded Turntrans-65.7-21.5-172.1-61.6177.8-177.600114.6M471 L487M468-M471 VanDerWaalsContact O-CE 3.29Å; M468-M471 WeakPolarHBondContact O-CE 3.34Å; M468-L487 HydrophobicContact CE-CD2 4.18Å; M468-L487 HydrophobicContact CG-CD1 4.18Å
469E95Very high95.6Very high126 Ų12659.2 Ų59.259%0.58929%0.287SS*.THydrogen-bonded Turntrans-88-37178.2-177.359.5-146.500111.5N467 Q500 H504N467-E469 PolarHBondContact O-N 3.39Å; N467-E469 PolarHBondContact OD1-N 2.86Å; E469-Q500 WeakPolarHBondContact O-CG 3.46Å; E469-Q500 PolarHBondContact O-NE2 2.83Å; E469-Q500 PolarHBondContact OE1-NE2 3.5Å; E469-Q500 VanDerWaalsContact OE1-NE2 3.08Å; E469-H504 PolarHBondContact O-NE2 3.26Å
470T97.6Very high95.8Very high26 Ų2657 Ų5716%0.1627%0.274CS..THydrogen-bonded Turntrans-102-15.6-172.161.70000114N467 Q472 F479 H504N467-T470 VanDerWaalsContact CB-OG1 3.27Å; N467-T470 WeakPolarHBondContact CB-OG1 3.32Å; N467-T470 PolarHBondContact O-N 3.42Å; N467-T470 PolarHBondContact OD1-N 3.41Å; N467-T470 PolarHBondContact OD1-OG1 3.32Å; T470-Q472 PolarHBondContact O-N 3.5Å; T470-Q472 VanDerWaalsContact O-N 3.17Å; T470-Q472 WeakPolarHBondContact OG1-CB 3.5Å; T470-Q472 PolarHBondContact OG1-N 2.87Å; T470-F479 WeakPolarHBondContact O-CD1 3.43Å; T470-H504 VanDerWaalsContact CA-CD2 3.44Å; T470-H504 WeakPolarHBondContact CA-CD2 3.45Å; T470-H504 WeakPolarHBondContact O-CB 3.18Å
471M98.5Very high96.3Very high8 Ų846.5 Ų46.54%0.03923%0.234CC..  trans60.712.3-170.1-51-57.4171.600114I466 N467 M468 F479 A480 D497 Q500 A501I466-M471 HydrophobicContact CD1-SD 3.88Å; N467-M471 VanDerWaalsContact O-CA 3.3Å; N467-M471 WeakPolarHBondContact O-CA 3.25Å; N467-M471 PolarHBondContact O-N 2.89Å; M468-M471 VanDerWaalsContact O-CE 3.29Å; M468-M471 WeakPolarHBondContact O-CE 3.34Å; M471-F479 CarbonylContact O-C 3.22Å; M471-F479 VanDerWaalsContact O-CA 3.22Å; M471-F479 WeakPolarHBondContact O-CA 3.45Å; M471-F479 WeakPolarHBondContact O-CB 3.41Å; M471-A480 PolarHBondContact O-N 3.2Å; M471-D497 HydrophobicContact CE-CB 4.46Å; M471-D497 HydrophobicContact SD-CB 4.49Å; M471-Q500 HydrophobicContact CE-CB 3.96Å; M471-Q500 HydrophobicContact CE-CG 3.87Å; M471-Q500 HydrophobicContact CG-CB 4.02Å; M471-Q500 HydrophobicContact CG-CG 4.05Å; M471-A501 HydrophobicContact CB-CB 3.72Å; M471-A501 HydrophobicContact CG-CB 4.12Å
472Q98.6Very high96.9Very high58 Ų5837.9 Ų37.927%0.27120%0.202SC..BIsolated β-bridgetrans-78.8139.7179.9-167176.149.100110.5I466 N467 T470 P476 F479I466-Q472 CarbonylContact C-O 3.4Å; I466-Q472 VanDerWaalsContact CA-O 3.27Å; I466-Q472 WeakPolarHBondContact CA-O 3.41Å; N467-Q472 PolarHBondContact N-O 2.77Å; T470-Q472 PolarHBondContact O-N 3.5Å; T470-Q472 VanDerWaalsContact O-N 3.17Å; T470-Q472 WeakPolarHBondContact OG1-CB 3.5Å; T470-Q472 PolarHBondContact OG1-N 2.87Å; Q472-P476 VanDerWaalsContact NE2-CA 3.3Å; Q472-P476 PolarHBondContact NE2-O 2.83Å; Q472-F479 HydrophobicContact CB-CD1 3.88Å; Q472-F479 HydrophobicContact CB-CE1 3.62Å; Q472-F479 HydrophobicContact CB-CZ 4.24Å; Q472-F479 HydrophobicContact CG-CD1 4.33Å; Q472-F479 HydrophobicContact CG-CE1 3.9Å; Q472-F479 HydrophobicContact CG-CZ 4Å
473T98.5Very high97.3Very high12 Ų1238.6 Ų38.67%0.07420%0.201CC..BIsolated β-bridgetrans-83.2-170.3174.571.20000111.7V456 P464 E465 I466 E475 V478 A480V456-T473 HydrophobicContact CG1-CG2 4.04Å; P464-T473 HydrophobicContact CB-CG2 4.37Å; E465-T473 WeakPolarHBondContact O-CA 3.38Å; I466-T473 HydrophobicContact CG2-CG2 3.98Å; T473-E475 PolarHBondContact O-N 3.3Å; T473-E475 PolarHBondContact OG1-N 3.15Å; T473-E475 VanDerWaalsContact OG1-N 3.13Å; T473-E475 PolarHBondContact OG1-O 2.97Å; T473-V478 WeakPolarHBondContact CB-O 3.36Å; T473-V478 HydrophobicContact CG2-CB 4.46Å; T473-V478 HydrophobicContact CG2-CG1 4.09Å; T473-V478 WeakPolarHBondContact CG2-O 3.31Å; T473-V478 PolarHBondContact N-O 2.93Å; T473-V478 WeakPolarHBondContact OG1-CB 3.39Å; T473-V478 PolarHBondContact OG1-O 3.37Å; T473-A480 HydrophobicContact CG2-CB 4.22Å
474S97.9Very high97.5Very high46 Ų4637.9 Ų37.932%0.32220%0.197SC..SBendtrans-61.6-19.6169.164.80000114K457K457-S474 PolarHBondContact N-OG 3.01Å
475E98.2Very high97.4Very high47 Ų4738.3 Ų38.322%0.2220%0.2CC..SBendtrans-99.3121.6176.5-68.6-61.4124.200110P455 V456 T473 W477 V478P455-E475 HydrophobicContact CG-CG 4.09Å; V456-E475 HydrophobicContact CG2-CB 4.32Å; V456-E475 HydrophobicContact CG2-CG 3.97Å; T473-E475 PolarHBondContact O-N 3.3Å; T473-E475 PolarHBondContact OG1-N 3.15Å; T473-E475 VanDerWaalsContact OG1-N 3.13Å; T473-E475 PolarHBondContact OG1-O 2.97Å; E475-W477 PolarHBondContact O-N 3.32Å; E475-W477 PolarHBondContact OE2-NE1 3.06Å; E475-V478 HydrophobicContact CB-CB 4.02Å; E475-V478 HydrophobicContact CB-CG2 3.83Å; E475-V478 PolarHBondContact O-N 3.45Å; E475-V478 VanDerWaalsContact O-O 3.08Å
476P97.7Very high96.9Very high68 Ų6836.2 Ų36.244%0.44221%0.206SC..THydrogen-bonded Turntrans-59.5-25.3-171.5-28.735000115.7Q472 F479 Y508Q472-P476 VanDerWaalsContact NE2-CA 3.3Å; Q472-P476 PolarHBondContact NE2-O 2.83Å; P476-F479 WeakPolarHBondContact O-CE2 3.42Å; P476-Y508 HydrophobicContact CB-CD2 4.48Å; P476-Y508 HydrophobicContact CB-CE2 3.96Å; P476-Y508 WeakPolarHBondContact O-CD2 3.29Å
477W98.2Very high96.4Very high14 Ų1437.9 Ų37.95%0.05322%0.215CC..THydrogen-bonded Turntrans-94.40.5-17866.5-74.8000113.1L270 K274 A280 V281 E475 Y508L270-W477 HydrophobicContact CB-CH2 3.95Å; L270-W477 HydrophobicContact CB-CZ2 4.24Å; L270-W477 VanDerWaalsContact O-CH2 3.28Å; L270-W477 WeakPolarHBondContact O-CH2 3.24Å; K274-W477 HydrophobicContact CB-CH2 3.74Å; K274-W477 HydrophobicContact CB-CZ2 4.1Å; K274-W477 HydrophobicContact CB-CZ3 4.08Å; K274-W477 HydrophobicContact CD-CH2 4.31Å; K274-W477 HydrophobicContact CD-CZ2 3.84Å; K274-W477 HydrophobicContact CG-CH2 4.36Å; K274-W477 HydrophobicContact CG-CZ2 4.37Å; A280-W477 CarbonylContact C-O 3.52Å; A280-W477 VanDerWaalsContact CA-O 3.3Å; A280-W477 WeakPolarHBondContact CA-O 3.32Å; V281-W477 HydrophobicContact CB-CZ3 4.19Å; V281-W477 HydrophobicContact CG2-CE3 4.03Å; V281-W477 HydrophobicContact CG2-CH2 4.22Å; V281-W477 HydrophobicContact CG2-CZ3 3.4Å; V281-W477 VanDerWaalsContact CG2-CZ3 3.4Å; V281-W477 PolarHBondContact N-O 3.45Å; E475-W477 PolarHBondContact O-N 3.32Å; E475-W477 PolarHBondContact OE2-NE1 3.06Å; W477-Y508 HydrophobicContact CB-CE1 3.63Å; W477-Y508 VanDerWaalsContact CB-OH 3.31Å; W477-Y508 WeakPolarHBondContact CB-OH 3.16Å
478V98.7Very high95.9Very high0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-122.3128.1-176.9-172.70000109.9L270 V281 I283 V456 T473 E475L270-V478 HydrophobicContact CD1-CG1 4.07Å; L270-V478 HydrophobicContact CD1-CG2 4.21Å; L270-V478 HydrophobicContact CD2-CG1 4.36Å; V281-V478 CarbonylContact O-C 3.52Å; V281-V478 WeakPolarHBondContact O-CA 3.27Å; I283-V478 HydrophobicContact CD1-CG1 3.67Å; I283-V478 HydrophobicContact CG1-CG1 4.07Å; V456-V478 HydrophobicContact CG2-CB 4.36Å; V456-V478 HydrophobicContact CG2-CG1 4.09Å; T473-V478 WeakPolarHBondContact CB-O 3.36Å; T473-V478 HydrophobicContact CG2-CB 4.46Å; T473-V478 HydrophobicContact CG2-CG1 4.09Å; T473-V478 WeakPolarHBondContact CG2-O 3.31Å; T473-V478 PolarHBondContact N-O 2.93Å; T473-V478 WeakPolarHBondContact OG1-CB 3.39Å; T473-V478 PolarHBondContact OG1-O 3.37Å; E475-V478 HydrophobicContact CB-CB 4.02Å; E475-V478 HydrophobicContact CB-CG2 3.83Å; E475-V478 PolarHBondContact O-N 3.45Å; E475-V478 VanDerWaalsContact O-O 3.08Å
479F98.8Very high95.6Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-122.7157.5-179.6-64.4-104.1000109.2V281 F282 I283 T470 M471 Q472 P476 H504 I505 Y508V281-F479 PolarHBondContact O-N 3.13Å; F282-F479 CarbonylContact C-O 3.58Å; F282-F479 WeakPolarHBondContact CA-O 3.33Å; F282-F479 HydrophobicContact CD2-CB 3.97Å; I283-F479 PolarHBondContact N-O 3.44Å; T470-F479 WeakPolarHBondContact O-CD1 3.43Å; M471-F479 CarbonylContact O-C 3.22Å; M471-F479 VanDerWaalsContact O-CA 3.22Å; M471-F479 WeakPolarHBondContact O-CA 3.45Å; M471-F479 WeakPolarHBondContact O-CB 3.41Å; Q472-F479 HydrophobicContact CB-CD1 3.88Å; Q472-F479 HydrophobicContact CB-CE1 3.62Å; Q472-F479 HydrophobicContact CB-CZ 4.24Å; Q472-F479 HydrophobicContact CG-CD1 4.33Å; Q472-F479 HydrophobicContact CG-CE1 3.9Å; Q472-F479 HydrophobicContact CG-CZ 4Å; P476-F479 WeakPolarHBondContact O-CE2 3.42Å; F479-H504 HydrophobicContact CE1-CB 3.81Å; F479-I505 HydrophobicContact CB-CD1 4.17Å; F479-I505 HydrophobicContact CB-CG1 4.22Å; F479-I505 HydrophobicContact CD1-CG1 3.97Å; F479-I505 HydrophobicContact CD2-CD1 4.16Å; F479-I505 HydrophobicContact CD2-CG1 3.4Å; F479-I505 VanDerWaalsContact CD2-CG1 3.4Å; F479-I505 HydrophobicContact CE1-CG1 4.18Å; F479-I505 HydrophobicContact CE2-CB 4.48Å; F479-I505 HydrophobicContact CE2-CG1 3.65Å; F479-I505 HydrophobicContact CG-CD1 4.1Å; F479-I505 HydrophobicContact CG-CG1 3.59Å; F479-I505 HydrophobicContact CZ-CG1 4.03Å; F479-Y508 HydrophobicContact CE2-CD1 4.44Å
480A98.6Very high95.7Very high0 Ų029.1 Ų29.10%018%0.176CC..EExtended strand (participates in β ladder)trans-146.4149.8175.900000111.5I283 P464 I466 M471 T473 V484I283-A480 HydrophobicContact CB-CB 4Å; I283-A480 VanDerWaalsContact O-CA 3.3Å; I283-A480 WeakPolarHBondContact O-CA 3.23Å; P464-A480 HydrophobicContact CB-CB 4.26Å; P464-A480 HydrophobicContact CG-CB 4.42Å; I466-A480 HydrophobicContact CG2-CB 3.96Å; M471-A480 PolarHBondContact O-N 3.2Å; T473-A480 HydrophobicContact CG2-CB 4.22Å; A480-V484 HydrophobicContact CB-CG1 4.39Å
481G98.1Very high95.8Very high0 Ų029 Ų290%018%0.176CC..  trans-164165.1-177.900000113.4I283I283-G481 PolarHBondContact O-N 3.47Å
482G97.4Very high95.8Very high1 Ų128.8 Ų28.81%0.0118%0.175CC..SBendtrans79.6-159.9-17100000112.3V484 A485 S494 D497G482-V484 PolarHBondContact O-N 3.08Å; G482-A485 WeakPolarHBondContact O-CB 3.33Å; G482-A485 PolarHBondContact O-N 3Å; G482-S494 WeakPolarHBondContact CA-OG 3.42Å; G482-D497 PolarHBondContact N-OD2 2.77Å
483D96.1Very high95.8Very high35 Ų3528.5 Ų28.519%0.18717%0.173CC..G310 helixtrans-53-31.9-173.3-51.6-13.8000113.7L228 L287 A485 G486L228-D483 WeakPolarHBondContact CD1-OD2 3.45Å; L287-D483 HydrophobicContact CD1-CB 4.21Å; L287-D483 HydrophobicContact CG-CB 3.94Å; D483-A485 PolarHBondContact O-N 2.97Å; D483-G486 PolarHBondContact O-N 2.94Å
484V96.3Very high95.8Very high0 Ų028.2 Ų28.20%017%0.172CC..G310 helixtrans-65.9-26179.8770000112.6I283 I285 G286 L444 T463 P464 A480 G482 G486I283-V484 HydrophobicContact CG2-CG1 4.38Å; I283-V484 WeakPolarHBondContact O-CG1 3.39Å; I285-V484 HydrophobicContact CD1-CG2 4.31Å; I285-V484 HydrophobicContact CG1-CB 4.29Å; I285-V484 HydrophobicContact CG1-CG2 3.82Å; G286-V484 WeakPolarHBondContact O-CB 3.42Å; L444-V484 HydrophobicContact CD2-CG2 4.11Å; T463-V484 WeakPolarHBondContact CB-O 3.22Å; T463-V484 WeakPolarHBondContact CG2-O 3.45Å; P464-V484 WeakPolarHBondContact CD-O 3.47Å; P464-V484 HydrophobicContact CG-CG2 4.33Å; A480-V484 HydrophobicContact CB-CG1 4.39Å; G482-V484 PolarHBondContact O-N 3.08Å; V484-G486 VanDerWaalsContact C-N 3.25Å; V484-G486 PolarHBondContact O-N 3.27Å
485A93.8Very high95.8Very high10 Ų1026 Ų268%0.08316%0.157CC..G310 helixtrans-74.9-16.7174.600000112.5I466 G482 D483 L487I466-A485 HydrophobicContact CD1-CB 3.64Å; I466-A485 HydrophobicContact CG1-CB 4.47Å; G482-A485 WeakPolarHBondContact O-CB 3.33Å; G482-A485 PolarHBondContact O-N 3Å; D483-A485 PolarHBondContact O-N 2.97Å; A485-L487 VanDerWaalsContact C-N 3.26Å; A485-L487 PolarHBondContact O-N 3.36Å
486G86.9Confident95.8Very high57 Ų5725.7 Ų25.759%0.58816%0.156SC*.THydrogen-bonded Turntrans70.817.4-179.300000114.7D483 V484D483-G486 PolarHBondContact O-N 2.94Å; V484-G486 VanDerWaalsContact C-N 3.25Å; V484-G486 PolarHBondContact O-N 3.27Å
487L86.1Confident95.9Very high65 Ų6523 Ų2334%0.3414%0.138SC..  trans-103.6-53.9176.8-61.5177.8000111.5I466 M468 A485 N489I466-L487 HydrophobicContact CD1-CD1 3.89Å; M468-L487 HydrophobicContact CE-CD2 4.18Å; M468-L487 HydrophobicContact CG-CD1 4.18Å; A485-L487 VanDerWaalsContact C-N 3.26Å; A485-L487 PolarHBondContact O-N 3.36Å; L487-N489 PolarHBondContact O-ND2 2.91Å
488A87.3Confident95.9Very high6 Ų622.3 Ų22.35%0.0514%0.136CC..  trans-70.9142.5-17800000112.3E493A488-E493 HydrophobicContact CB-CB 3.6Å
489N90.7Very high95.9Very high135 Ų13523.4 Ų23.472%0.72214%0.14SC*.  trans-122-3169.9-61-80000112.2L487 E493L487-N489 PolarHBondContact O-ND2 2.91Å; N489-E493 PolarHBondContact N-OE2 3.45Å
490T96.5Very high95.9Very high24 Ų2425.8 Ų25.815%0.14715%0.151CC..SBendtrans-132.2160.8-175.866.70000112P133 V492 E493 S494P133-T490 HydrophobicContact CG-CG2 3.6Å; T490-V492 VanDerWaalsContact C-N 3.31Å; T490-V492 PolarHBondContact O-N 3.27Å; T490-V492 WeakPolarHBondContact OG1-CG1 3.37Å; T490-E493 WeakPolarHBondContact CB-OE2 3.13Å; T490-E493 PolarHBondContact N-OE2 3.29Å; T490-E493 PolarHBondContact O-N 3.43Å; T490-E493 WeakPolarHBondContact OG1-CB 3.37Å; T490-E493 VanDerWaalsContact OG1-CD 3.25Å; T490-E493 VanDerWaalsContact OG1-CG 3.22Å; T490-E493 WeakPolarHBondContact OG1-CG 3.29Å; T490-E493 PolarHBondContact OG1-N 3.29Å; T490-E493 PolarHBondContact OG1-OE2 3.07Å; T490-S494 PolarHBondContact O-N 3.14Å; T490-S494 VanDerWaalsContact O-N 3.07Å; T490-S494 PolarHBondContact O-OG 3.4Å
491T98.4Very high95.9Very high24 Ų2425.8 Ų25.815%0.14715%0.151CC..Hα-helixtrans-57.4-43.3174.1-54.30000112L124 T127 P199 S494 V495L124-T491 HydrophobicContact CD2-CG2 4.44Å; T127-T491 HydrophobicContact CG2-CG2 3.98Å; P199-T491 HydrophobicContact CB-CG2 3.98Å; P199-T491 HydrophobicContact CG-CG2 3.86Å; T491-S494 WeakPolarHBondContact O-CB 3.49Å; T491-S494 PolarHBondContact O-N 3.01Å; T491-V495 VanDerWaalsContact O-CG2 3.31Å; T491-V495 WeakPolarHBondContact O-CG2 3.46Å; T491-V495 PolarHBondContact O-N 3.2Å
492V98.4Very high96Very high2 Ų225.8 Ų25.81%0.01215%0.151CC..Hα-helixtrans-70.5-34-17663.50000112.7P94 T95 L137 T490 V495 N496P94-V492 HydrophobicContact CB-CG1 4.35Å; P94-V492 HydrophobicContact CB-CG2 4.26Å; P94-V492 HydrophobicContact CG-CG1 3.88Å; P94-V492 HydrophobicContact CG-CG2 4.48Å; T95-V492 HydrophobicContact CG2-CG2 3.72Å; L137-V492 HydrophobicContact CD1-CG1 3.81Å; T490-V492 VanDerWaalsContact C-N 3.31Å; T490-V492 PolarHBondContact O-N 3.27Å; T490-V492 WeakPolarHBondContact OG1-CG1 3.37Å; V492-V495 PolarHBondContact O-N 3.24Å; V492-N496 PolarHBondContact O-N 2.76Å
493E98.7Very high96Very high52 Ų5226.4 Ų26.424%0.24315%0.154CC..Hα-helixtrans-67.7-42.7171.4-69.7164.7141.700110.9P94 A488 N489 T490 V495 N496 D497P94-E493 HydrophobicContact CB-CG 3.94Å; P94-E493 HydrophobicContact CG-CG 3.84Å; A488-E493 HydrophobicContact CB-CB 3.6Å; N489-E493 PolarHBondContact N-OE2 3.45Å; T490-E493 WeakPolarHBondContact CB-OE2 3.13Å; T490-E493 PolarHBondContact N-OE2 3.29Å; T490-E493 PolarHBondContact O-N 3.43Å; T490-E493 WeakPolarHBondContact OG1-CB 3.37Å; T490-E493 VanDerWaalsContact OG1-CD 3.25Å; T490-E493 VanDerWaalsContact OG1-CG 3.22Å; T490-E493 WeakPolarHBondContact OG1-CG 3.29Å; T490-E493 PolarHBondContact OG1-N 3.29Å; T490-E493 PolarHBondContact OG1-OE2 3.07Å; E493-V495 VanDerWaalsContact C-N 3.29Å; E493-V495 PolarHBondContact O-N 2.84Å; E493-N496 CarbonylContact O-C 3.53Å; E493-N496 WeakPolarHBondContact O-CA 3.15Å; E493-N496 WeakPolarHBondContact O-CB 3.43Å; E493-N496 PolarHBondContact O-N 3.05Å; E493-D497 PolarHBondContact O-N 3.4Å
494S98.8Very high96.1Very high7 Ų725.9 Ų25.95%0.04915%0.15CC..Hα-helixtrans-59.5-40.9174.4-69.80000112.2A200 G482 T490 T491 N496 D497 G498A200-S494 VanDerWaalsContact CA-O 3.22Å; A200-S494 WeakPolarHBondContact CA-O 3.15Å; A200-S494 WeakPolarHBondContact CB-O 2.91Å; G482-S494 WeakPolarHBondContact CA-OG 3.42Å; T490-S494 PolarHBondContact O-N 3.14Å; T490-S494 VanDerWaalsContact O-N 3.07Å; T490-S494 PolarHBondContact O-OG 3.4Å; T491-S494 WeakPolarHBondContact O-CB 3.49Å; T491-S494 PolarHBondContact O-N 3.01Å; S494-N496 VanDerWaalsContact C-N 3.31Å; S494-D497 PolarHBondContact O-N 3.06Å; S494-G498 PolarHBondContact O-N 2.94Å
495V98.9Very high96.3Very high0 Ų025.9 Ų25.90%015%0.15CC..Hα-helixtrans-60.4-43.5172.2169.40000110.6T95 L124 P199 S203 T491 V492 E493 G498 K499T95-V495 HydrophobicContact CG2-CB 4.31Å; T95-V495 HydrophobicContact CG2-CG1 3.84Å; L124-V495 HydrophobicContact CB-CG2 4Å; L124-V495 HydrophobicContact CD1-CG2 4.04Å; L124-V495 HydrophobicContact CD2-CG2 4.15Å; L124-V495 HydrophobicContact CG-CG2 4.3Å; P199-V495 HydrophobicContact CB-CG2 4.1Å; S203-V495 VanDerWaalsContact CB-O 3.25Å; S203-V495 WeakPolarHBondContact CB-O 3.46Å; S203-V495 WeakPolarHBondContact OG-CG1 3.39Å; S203-V495 PolarHBondContact OG-O 2.91Å; T491-V495 VanDerWaalsContact O-CG2 3.31Å; T491-V495 WeakPolarHBondContact O-CG2 3.46Å; T491-V495 PolarHBondContact O-N 3.2Å; V492-V495 PolarHBondContact O-N 3.24Å; E493-V495 VanDerWaalsContact C-N 3.29Å; E493-V495 PolarHBondContact O-N 2.84Å; V495-G498 PolarHBondContact O-N 2.85Å; V495-K499 PolarHBondContact O-N 2.93Å
496N98.8Very high96.5Very high39 Ų3926 Ų2621%0.20915%0.149CC..Hα-helixtrans-65.2-39.2179.1-170.863.4000112.5P94 T95 V492 E493 S494 G498 K499 Q500P94-N496 HydrophobicContact CB-CB 4.49Å; P94-N496 PolarHBondContact O-OD1 3.23Å; P94-N496 VanDerWaalsContact O-OD1 3.08Å; T95-N496 HydrophobicContact CG2-CB 4.06Å; V492-N496 PolarHBondContact O-N 2.76Å; E493-N496 CarbonylContact O-C 3.53Å; E493-N496 WeakPolarHBondContact O-CA 3.15Å; E493-N496 WeakPolarHBondContact O-CB 3.43Å; E493-N496 PolarHBondContact O-N 3.05Å; S494-N496 VanDerWaalsContact C-N 3.31Å; N496-G498 VanDerWaalsContact C-N 3.3Å; N496-G498 PolarHBondContact O-N 3.39Å; N496-K499 WeakPolarHBondContact O-CB 3.5Å; N496-K499 PolarHBondContact O-N 2.89Å; N496-K499 VanDerWaalsContact O-N 3.14Å; N496-Q500 WeakPolarHBondContact O-CB 3.36Å; N496-Q500 PolarHBondContact O-N 2.97Å
497D98.8Very high97Very high11 Ų1130.1 Ų30.16%0.05915%0.147CC..Hα-helixtrans-59.7-43175.1-68.8-12.2000111.2M471 G482 E493 S494 Q500 A501M471-D497 HydrophobicContact CE-CB 4.46Å; M471-D497 HydrophobicContact SD-CB 4.49Å; G482-D497 PolarHBondContact N-OD2 2.77Å; E493-D497 PolarHBondContact O-N 3.4Å; S494-D497 PolarHBondContact O-N 3.06Å; D497-Q500 PolarHBondContact O-N 3.43Å; D497-A501 VanDerWaalsContact O-CB 3.25Å; D497-A501 WeakPolarHBondContact O-CB 3.4Å; D497-A501 PolarHBondContact O-N 2.95Å
498G98.8Very high97.6Very high0 Ų029.1 Ų29.10%014%0.139CC..Hα-helixtrans-63.6-41.4173.800000113.2A200 C204 S494 V495 N496 A501 S502A200-G498 WeakPolarHBondContact O-CA 3.3Å; C204-G498 WeakPolarHBondContact CA-O 3.48Å; C204-G498 WeakPolarHBondContact CB-O 3.38Å; S494-G498 PolarHBondContact O-N 2.94Å; V495-G498 PolarHBondContact O-N 2.85Å; N496-G498 VanDerWaalsContact C-N 3.3Å; N496-G498 PolarHBondContact O-N 3.39Å; G498-A501 PolarHBondContact O-N 2.52Å; G498-S502 PolarHBondContact O-N 3.22Å
499K98.8Very high98.1Very high24 Ų2428.9 Ų28.910%0.10414%0.136CC..Hα-helixtrans-60.2-50175.2178.8-179.7-176.6173.60110.6T95 D121 S203 F207 V495 N496 S502 L523T95-K499 PolarHBondContact O-NZ 3.12Å; T95-K499 VanDerWaalsContact O-NZ 3.1Å; D121-K499 PolarHBondContact O-NZ 3Å; D121-K499 IonicContact OD1-NZ 3.24Å; D121-K499 PolarHBondContact OD1-NZ 3.34Å; S203-K499 PolarHBondContact OG-N 3.03Å; F207-K499 HydrophobicContact CD2-CB 3.85Å; F207-K499 HydrophobicContact CD2-CG 3.91Å; F207-K499 HydrophobicContact CE1-CG 4.35Å; F207-K499 HydrophobicContact CE2-CB 3.61Å; F207-K499 HydrophobicContact CE2-CD 3.92Å; F207-K499 HydrophobicContact CE2-CG 3.53Å; F207-K499 HydrophobicContact CG-CG 4.48Å; F207-K499 HydrophobicContact CZ-CB 4.36Å; F207-K499 HydrophobicContact CZ-CD 3.83Å; F207-K499 HydrophobicContact CZ-CG 3.78Å; V495-K499 PolarHBondContact O-N 2.93Å; N496-K499 WeakPolarHBondContact O-CB 3.5Å; N496-K499 PolarHBondContact O-N 2.89Å; N496-K499 VanDerWaalsContact O-N 3.14Å; K499-S502 PolarHBondContact O-N 3.37Å; K499-S502 PolarHBondContact O-OG 3Å; K499-L523 HydrophobicContact CG-CD1 3.59Å
500Q98.6Very high98.4Very high49 Ų4922.8 Ų22.823%0.22910%0.104CC..Hα-helixtrans-61.2-49178.8-16969.49.300110.9E469 M471 N496 D497 S502 W503 H504E469-Q500 WeakPolarHBondContact O-CG 3.46Å; E469-Q500 PolarHBondContact O-NE2 2.83Å; E469-Q500 PolarHBondContact OE1-NE2 3.5Å; E469-Q500 VanDerWaalsContact OE1-NE2 3.08Å; M471-Q500 HydrophobicContact CE-CB 3.96Å; M471-Q500 HydrophobicContact CE-CG 3.87Å; M471-Q500 HydrophobicContact CG-CB 4.02Å; M471-Q500 HydrophobicContact CG-CG 4.05Å; N496-Q500 WeakPolarHBondContact O-CB 3.36Å; N496-Q500 PolarHBondContact O-N 2.97Å; D497-Q500 PolarHBondContact O-N 3.43Å; Q500-S502 VanDerWaalsContact C-N 3.27Å; Q500-S502 PolarHBondContact O-N 3.24Å; Q500-W503 PolarHBondContact O-N 3.43Å; Q500-H504 PolarHBondContact O-CD2 3.07Å; Q500-H504 VanDerWaalsContact O-CD2 3.26Å
501A98.8Very high98.5Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-57.9-38.8178.200000112.3F282 M471 D497 G498 W503 H504 I505F282-A501 HydrophobicContact CD2-CB 3.77Å; F282-A501 HydrophobicContact CE2-CB 3.52Å; M471-A501 HydrophobicContact CB-CB 3.72Å; M471-A501 HydrophobicContact CG-CB 4.12Å; D497-A501 VanDerWaalsContact O-CB 3.25Å; D497-A501 WeakPolarHBondContact O-CB 3.4Å; D497-A501 PolarHBondContact O-N 2.95Å; G498-A501 PolarHBondContact O-N 2.52Å; A501-W503 VanDerWaalsContact C-N 3.29Å; A501-W503 PolarHBondContact O-N 3.01Å; A501-H504 PolarHBondContact O-N 3.2Å; A501-H504 VanDerWaalsContact O-N 3.16Å; A501-I505 HydrophobicContact CB-CD1 4.29Å; A501-I505 WeakPolarHBondContact O-CB 3.42Å; A501-I505 VanDerWaalsContact O-CG1 3.27Å; A501-I505 WeakPolarHBondContact O-CG1 3.43Å; A501-I505 PolarHBondContact O-N 2.8Å
502S98.8Very high98.4Very high0 Ų027.6 Ų27.60%013%0.132CC..Hα-helixtrans-58.3-38.3-177.8760000113.3F207 L208 G498 K499 Q500 H506F207-S502 WeakPolarHBondContact CB-OG 3.28Å; L208-S502 WeakPolarHBondContact CD2-O 3.32Å; G498-S502 PolarHBondContact O-N 3.22Å; K499-S502 PolarHBondContact O-N 3.37Å; K499-S502 PolarHBondContact O-OG 3Å; Q500-S502 VanDerWaalsContact C-N 3.27Å; Q500-S502 PolarHBondContact O-N 3.24Å; S502-H506 VanDerWaalsContact O-CB 3.31Å; S502-H506 WeakPolarHBondContact O-CB 3.3Å; S502-H506 PolarHBondContact O-N 2.8Å
503W98.6Very high98.3Very high15 Ų1530.5 Ų30.56%0.05714%0.144CC..Hα-helixtrans-67.8-42177.8178.9-105.8000111.8Q500 A501 H506 R507 V517 D518 P521 K522 L523Q500-W503 PolarHBondContact O-N 3.43Å; A501-W503 VanDerWaalsContact C-N 3.29Å; A501-W503 PolarHBondContact O-N 3.01Å; W503-H506 AromaticContact CZ3-CD2 4Å; W503-H506 WeakPolarHBondContact O-CB 3.22Å; W503-H506 PolarHBondContact O-N 2.83Å; W503-R507 PolarHBondContact O-N 3.27Å; W503-V517 HydrophobicContact CZ2-CG2 4.46Å; W503-D518 WeakPolarHBondContact CZ2-O 3.44Å; W503-P521 HydrophobicContact CD2-CB 3.9Å; W503-P521 VanDerWaalsContact CE2-CA 3.49Å; W503-P521 HydrophobicContact CE3-CB 4.44Å; W503-P521 HydrophobicContact CG-CB 4.09Å; W503-P521 HydrophobicContact CG-CG 4.48Å; W503-P521 VanDerWaalsContact CZ2-CA 3.48Å; W503-P521 HydrophobicContact CZ2-CB 4.33Å; W503-K522 HydrophobicContact CH2-CB 4.33Å; W503-K522 VanDerWaalsContact CH2-N 3.34Å; W503-K522 HydrophobicContact CZ3-CB 4.28Å; W503-L523 HydrophobicContact CB-CD2 4.24Å; W503-L523 HydrophobicContact CE3-CD2 4.08Å; W503-L523 HydrophobicContact CE3-CG 4.4Å
504H98.4Very high98.2Very high24 Ų2431.4 Ų31.411%0.11117%0.166CC..Hα-helixtrans-78.9-30.5-178.4-64.4-76000112.6E469 T470 F479 Q500 A501 H506 R507 Y508E469-H504 PolarHBondContact O-NE2 3.26Å; T470-H504 VanDerWaalsContact CA-CD2 3.44Å; T470-H504 WeakPolarHBondContact CA-CD2 3.45Å; T470-H504 WeakPolarHBondContact O-CB 3.18Å; F479-H504 HydrophobicContact CE1-CB 3.81Å; Q500-H504 PolarHBondContact O-CD2 3.07Å; Q500-H504 VanDerWaalsContact O-CD2 3.26Å; A501-H504 PolarHBondContact O-N 3.2Å; A501-H504 VanDerWaalsContact O-N 3.16Å; H504-H506 VanDerWaalsContact C-N 3.33Å; H504-R507 PolarHBondContact O-N 2.82Å; H504-Y508 VanDerWaalsContact O-CB 3.29Å; H504-Y508 WeakPolarHBondContact O-CB 3.5Å; H504-Y508 PolarHBondContact O-N 3.42Å
505I98.8Very high98Very high0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-60-47.2164.1-70.5164.4000108.9I192 C204 L208 A280 F282 F479 A501 R507 Y508 M509I192-I505 HydrophobicContact CD1-CG2 4.44Å; C204-I505 VanDerWaalsContact SG-CD1 3.6Å; L208-I505 HydrophobicContact CD1-CD1 4.37Å; L208-I505 HydrophobicContact CD1-CG2 4.14Å; L208-I505 HydrophobicContact CD2-CB 4.12Å; L208-I505 HydrophobicContact CD2-CG2 3.73Å; A280-I505 HydrophobicContact CB-CG2 3.99Å; F282-I505 HydrophobicContact CB-CD1 4.19Å; F282-I505 HydrophobicContact CD2-CD1 4.29Å; F479-I505 HydrophobicContact CB-CD1 4.17Å; F479-I505 HydrophobicContact CB-CG1 4.22Å; F479-I505 HydrophobicContact CD1-CG1 3.97Å; F479-I505 HydrophobicContact CD2-CD1 4.16Å; F479-I505 HydrophobicContact CD2-CG1 3.4Å; F479-I505 VanDerWaalsContact CD2-CG1 3.4Å; F479-I505 HydrophobicContact CE1-CG1 4.18Å; F479-I505 HydrophobicContact CE2-CB 4.48Å; F479-I505 HydrophobicContact CE2-CG1 3.65Å; F479-I505 HydrophobicContact CG-CD1 4.1Å; F479-I505 HydrophobicContact CG-CG1 3.59Å; F479-I505 HydrophobicContact CZ-CG1 4.03Å; A501-I505 HydrophobicContact CB-CD1 4.29Å; A501-I505 WeakPolarHBondContact O-CB 3.42Å; A501-I505 VanDerWaalsContact O-CG1 3.27Å; A501-I505 WeakPolarHBondContact O-CG1 3.43Å; A501-I505 PolarHBondContact O-N 2.8Å; I505-R507 PolarHBondContact O-N 2.92Å; I505-Y508 PolarHBondContact O-N 3.47Å; I505-M509 HydrophobicContact CG2-CG 3.95Å; I505-M509 VanDerWaalsContact O-CB 3.29Å; I505-M509 WeakPolarHBondContact O-CB 3.41Å; I505-M509 WeakPolarHBondContact O-CG 3.35Å; I505-M509 PolarHBondContact O-N 3.42Å
506H98.5Very high97.7Very high12 Ų1241.8 Ų41.86%0.05622%0.224CC..Hα-helixtrans-58.5-48.5177.4167.772000111.9L211 Y213 S502 W503 H504 Y508 M509 Q510 V517L211-H506 HydrophobicContact CD1-CB 3.68Å; Y213-H506 HydrophobicContact CE2-CB 4.02Å; Y213-H506 AromaticContact CE2-ND1 3.57Å; Y213-H506 AromaticContact CZ-ND1 3.69Å; Y213-H506 WeakPolarHBondContact OH-CA 3.37Å; Y213-H506 PolarHBondContact OH-ND1 3.41Å; Y213-H506 PolarHBondContact OH-O 3.01Å; S502-H506 VanDerWaalsContact O-CB 3.31Å; S502-H506 WeakPolarHBondContact O-CB 3.3Å; S502-H506 PolarHBondContact O-N 2.8Å; W503-H506 AromaticContact CZ3-CD2 4Å; W503-H506 WeakPolarHBondContact O-CB 3.22Å; W503-H506 PolarHBondContact O-N 2.83Å; H504-H506 VanDerWaalsContact C-N 3.33Å; H506-Y508 VanDerWaalsContact C-N 3.34Å; H506-Y508 PolarHBondContact O-N 3.41Å; H506-M509 PolarHBondContact O-N 3.18Å; H506-Q510 VanDerWaalsContact CE1-CG 3.46Å; H506-Q510 WeakPolarHBondContact CE1-CG 3.49Å; H506-Q510 WeakPolarHBondContact O-CB 3.45Å; H506-Q510 VanDerWaalsContact O-CG 3.29Å; H506-Q510 WeakPolarHBondContact O-CG 3.21Å; H506-Q510 PolarHBondContact O-N 3.11Å; H506-V517 VanDerWaalsContact NE2-CG1 3.28Å; H506-V517 WeakPolarHBondContact NE2-CG1 3.28Å
507R97.9Very high97.5Very high144 Ų14441.6 Ų41.654%0.54322%0.224SC..Hα-helixtrans-57.5-45.7175.6179.8170.7179-170.10.8112.5W503 H504 I505 S511 V517W503-R507 PolarHBondContact O-N 3.27Å; H504-R507 PolarHBondContact O-N 2.82Å; I505-R507 PolarHBondContact O-N 2.92Å; R507-S511 WeakPolarHBondContact O-CB 3.49Å; R507-S511 PolarHBondContact O-N 3.11Å; R507-S511 VanDerWaalsContact O-N 3.07Å; R507-V517 HydrophobicContact CB-CG2 3.76Å; R507-V517 HydrophobicContact CG-CG2 3.62Å
508Y98.1Very high97Very high44 Ų4444.4 Ų44.417%0.17324%0.239CC..Hα-helixtrans-61.6-50.7177.5172-104.8000111.2K279 A280 P476 W477 F479 H504 I505 H506 Q510 S511 L512K279-Y508 WeakPolarHBondContact O-CE1 3.47Å; A280-Y508 HydrophobicContact CB-CD1 4.45Å; P476-Y508 HydrophobicContact CB-CD2 4.48Å; P476-Y508 HydrophobicContact CB-CE2 3.96Å; P476-Y508 WeakPolarHBondContact O-CD2 3.29Å; W477-Y508 HydrophobicContact CB-CE1 3.63Å; W477-Y508 VanDerWaalsContact CB-OH 3.31Å; W477-Y508 WeakPolarHBondContact CB-OH 3.16Å; F479-Y508 HydrophobicContact CE2-CD1 4.44Å; H504-Y508 VanDerWaalsContact O-CB 3.29Å; H504-Y508 WeakPolarHBondContact O-CB 3.5Å; H504-Y508 PolarHBondContact O-N 3.42Å; I505-Y508 PolarHBondContact O-N 3.47Å; H506-Y508 VanDerWaalsContact C-N 3.34Å; H506-Y508 PolarHBondContact O-N 3.41Å; Y508-Q510 PolarHBondContact O-N 3.23Å; Y508-S511 WeakPolarHBondContact O-CB 3.46Å; Y508-S511 PolarHBondContact O-N 2.62Å; Y508-S511 VanDerWaalsContact O-N 3.13Å; Y508-S511 PolarHBondContact O-OG 2.91Å; Y508-L512 HydrophobicContact CD1-CD1 4.44Å; Y508-L512 HydrophobicContact CE1-CD1 3.71Å; Y508-L512 HydrophobicContact CE1-CG 4.23Å; Y508-L512 HydrophobicContact CE2-CD2 4.14Å; Y508-L512 HydrophobicContact CE2-CG 4.4Å; Y508-L512 PolarHBondContact O-N 3.05Å
509M97.8Very high96.5Very high0 Ų050.7 Ų50.70%028%0.278CS..Hα-helixtrans-57.6-48.8178.8-71.1-69.8-68.700111.3A190 I192 Y213 K279 A280 I505 H506 S511 L512 Y513A190-M509 HydrophobicContact CB-CE 3.34Å; I192-M509 HydrophobicContact CD1-CE 4.03Å; I192-M509 HydrophobicContact CD1-CG 4.49Å; I192-M509 HydrophobicContact CG1-CE 3.84Å; I192-M509 HydrophobicContact CG1-SD 4.37Å; Y213-M509 HydrophobicContact CE1-CB 4.07Å; Y213-M509 HydrophobicContact CE1-CE 4.1Å; Y213-M509 HydrophobicContact CE1-CG 4.37Å; Y213-M509 VanDerWaalsContact OH-CB 3.3Å; Y213-M509 WeakPolarHBondContact OH-CB 3.34Å; K279-M509 HydrophobicContact CB-CE 3.83Å; K279-M509 HydrophobicContact CB-SD 3.58Å; K279-M509 VanDerWaalsContact CB-SD 3.58Å; A280-M509 HydrophobicContact CB-CG 4.28Å; A280-M509 HydrophobicContact CB-SD 3.69Å; I505-M509 HydrophobicContact CG2-CG 3.95Å; I505-M509 VanDerWaalsContact O-CB 3.29Å; I505-M509 WeakPolarHBondContact O-CB 3.41Å; I505-M509 WeakPolarHBondContact O-CG 3.35Å; I505-M509 PolarHBondContact O-N 3.42Å; H506-M509 PolarHBondContact O-N 3.18Å; M509-S511 VanDerWaalsContact C-N 3.28Å; M509-S511 PolarHBondContact O-N 3.45Å; M509-L512 WeakPolarHBondContact O-CB 3.21Å; M509-L512 PolarHBondContact O-N 3.03Å; M509-L512 VanDerWaalsContact O-N 3.17Å; M509-Y513 VanDerWaalsContact O-CD2 3.32Å; M509-Y513 WeakPolarHBondContact O-CD2 3.45Å
510Q98Very high96.3Very high8 Ų853.8 Ų53.84%0.03730%0.298CS..Hα-helixtrans-60.8-37.7177.6-67.8-50.1-50.500112.3S187 Y213 H506 Y508 L512 Y513 G514 H515 V517S187-Q510 PolarHBondContact OG-NE2 3.02Å; S187-Q510 PolarHBondContact OG-OE1 3.15Å; Y213-Q510 PolarHBondContact OH-NE2 3.32Å; H506-Q510 VanDerWaalsContact CE1-CG 3.46Å; H506-Q510 WeakPolarHBondContact CE1-CG 3.49Å; H506-Q510 WeakPolarHBondContact O-CB 3.45Å; H506-Q510 VanDerWaalsContact O-CG 3.29Å; H506-Q510 WeakPolarHBondContact O-CG 3.21Å; H506-Q510 PolarHBondContact O-N 3.11Å; Y508-Q510 PolarHBondContact O-N 3.23Å; Q510-L512 VanDerWaalsContact C-N 3.29Å; Q510-L512 PolarHBondContact O-N 2.93Å; Q510-Y513 CarbonylContact O-C 3.56Å; Q510-Y513 PolarHBondContact O-N 3.23Å; Q510-Y513 VanDerWaalsContact O-N 3.1Å; Q510-G514 PolarHBondContact O-N 3.44Å; Q510-H515 CarbonylContact C-O 3.52Å; Q510-H515 HydrophobicContact CB-CB 4.03Å; Q510-H515 PolarHBondContact O-N 3.14Å; Q510-H515 PolarHBondContact OE1-CD2 3.06Å; Q510-H515 VanDerWaalsContact OE1-CD2 3.31Å; Q510-V517 HydrophobicContact CB-CG1 3.68Å; Q510-V517 HydrophobicContact CG-CG1 3.6Å
511S97.1Very high96.2Very high68 Ų6855.2 Ų55.248%0.47631%0.312SS..Hα-helixtrans-63.8-31.1177.878.80000113.7R507 Y508 M509 Y513 G514R507-S511 WeakPolarHBondContact O-CB 3.49Å; R507-S511 PolarHBondContact O-N 3.11Å; R507-S511 VanDerWaalsContact O-N 3.07Å; Y508-S511 WeakPolarHBondContact O-CB 3.46Å; Y508-S511 PolarHBondContact O-N 2.62Å; Y508-S511 VanDerWaalsContact O-N 3.13Å; Y508-S511 PolarHBondContact O-OG 2.91Å; M509-S511 VanDerWaalsContact C-N 3.28Å; M509-S511 PolarHBondContact O-N 3.45Å; S511-Y513 PolarHBondContact O-N 3.07Å; S511-G514 PolarHBondContact O-N 3.17Å
512L97.1Very high96Very high80 Ų8061.3 Ų61.342%0.41934%0.339SS..Hα-helixtrans-64.5-24.3176.1-66.1-179.9000112.9K279 Y508 M509 Q510K279-L512 HydrophobicContact CB-CD1 4.24Å; Y508-L512 HydrophobicContact CD1-CD1 4.44Å; Y508-L512 HydrophobicContact CE1-CD1 3.71Å; Y508-L512 HydrophobicContact CE1-CG 4.23Å; Y508-L512 HydrophobicContact CE2-CD2 4.14Å; Y508-L512 HydrophobicContact CE2-CG 4.4Å; Y508-L512 PolarHBondContact O-N 3.05Å; M509-L512 WeakPolarHBondContact O-CB 3.21Å; M509-L512 PolarHBondContact O-N 3.03Å; M509-L512 VanDerWaalsContact O-N 3.17Å; Q510-L512 VanDerWaalsContact C-N 3.29Å; Q510-L512 PolarHBondContact O-N 2.93Å
513Y97.2Very high96Very high64 Ų6463.4 Ų63.425%0.25135%0.349SS..THydrogen-bonded Turntrans-105.714-179.1-66.9-97.8000112E186 A190 M509 Q510 S511 H515E186-Y513 HydrophobicContact CB-CE1 4.43Å; E186-Y513 HydrophobicContact CG-CE1 4.17Å; A190-Y513 HydrophobicContact CB-CE2 4.14Å; A190-Y513 WeakPolarHBondContact CB-OH 3.3Å; M509-Y513 VanDerWaalsContact O-CD2 3.32Å; M509-Y513 WeakPolarHBondContact O-CD2 3.45Å; Q510-Y513 CarbonylContact O-C 3.56Å; Q510-Y513 PolarHBondContact O-N 3.23Å; Q510-Y513 VanDerWaalsContact O-N 3.1Å; S511-Y513 PolarHBondContact O-N 3.07Å; Y513-H515 VanDerWaalsContact C-N 3.25Å; Y513-H515 PolarHBondContact O-N 2.98Å
514G95.9Very high96Very high70 Ų7063.6 Ų63.672%0.72235%0.352SS*.THydrogen-bonded Turntrans71.916.2177.900000114.4Q510 S511Q510-G514 PolarHBondContact O-N 3.44Å; S511-G514 PolarHBondContact O-N 3.17Å
515H95.1Very high96Very high84 Ų8465.9 Ų65.939%0.38937%0.365SS..  trans-94.3147.5177.4-58.3-44.8000111.4Q510 Y513Q510-H515 CarbonylContact C-O 3.52Å; Q510-H515 HydrophobicContact CB-CB 4.03Å; Q510-H515 PolarHBondContact O-N 3.14Å; Q510-H515 PolarHBondContact OE1-CD2 3.06Å; Q510-H515 VanDerWaalsContact OE1-CD2 3.31Å; Y513-H515 VanDerWaalsContact C-N 3.25Å; Y513-H515 PolarHBondContact O-N 2.98Å
516T92.1Very high96Very high141 Ų14166 Ų6687%0.86537%0.366SS*.  trans-106.4137.4173.454.10000110.2
517V94.1Very high96Very high36 Ų3666.9 Ų66.922%0.21837%0.369CS..  trans-104.4159.1173.3-57.80000110.1W503 H506 R507 Q510W503-V517 HydrophobicContact CZ2-CG2 4.46Å; H506-V517 VanDerWaalsContact NE2-CG1 3.28Å; H506-V517 WeakPolarHBondContact NE2-CG1 3.28Å; R507-V517 HydrophobicContact CB-CG2 3.76Å; R507-V517 HydrophobicContact CG-CG2 3.62Å; Q510-V517 HydrophobicContact CB-CG1 3.68Å; Q510-V517 HydrophobicContact CG-CG1 3.6Å
518D89.7Confident95.9Very high70 Ų7060 Ų6037%0.37434%0.343SS..  trans-56.1146.7176-159.3-41.7000111W503 V520 K522W503-D518 WeakPolarHBondContact CZ2-O 3.44Å; D518-V520 VanDerWaalsContact C-N 3.27Å; D518-V520 PolarHBondContact OD1-N 3.05Å; D518-K522 WeakPolarHBondContact OD2-CE 3.3Å; D518-K522 IonicContact OD2-NZ 2.81Å; D518-K522 PolarHBondContact OD2-NZ 3.04Å
519T88.1Confident95.8Very high132 Ų13259.3 Ų59.381%0.8135%0.346SS*.SBendtrans-73.5-25.3174.4530000111.6
520V94.2Very high95.8Very high89 Ų8959.3 Ų59.354%0.53935%0.346SS..SBendtrans-89.8123.2173.5-177.90000109.3D518 K522D518-V520 VanDerWaalsContact C-N 3.27Å; D518-V520 PolarHBondContact OD1-N 3.05Å; V520-K522 PolarHBondContact O-N 3.32Å
521P95.8Very high95.8Very high79 Ų7959.8 Ų59.851%0.51335%0.349SS..  trans-57.4132177.1-25.234.4000113.8W503W503-P521 HydrophobicContact CD2-CB 3.9Å; W503-P521 VanDerWaalsContact CE2-CA 3.49Å; W503-P521 HydrophobicContact CE3-CB 4.44Å; W503-P521 HydrophobicContact CG-CB 4.09Å; W503-P521 HydrophobicContact CG-CG 4.48Å; W503-P521 VanDerWaalsContact CZ2-CA 3.48Å; W503-P521 HydrophobicContact CZ2-CB 4.33Å
522K95.6Very high95.8Very high128 Ų12862.7 Ų62.756%0.55736%0.355SS*.  trans-131.869.2178.9-67179.7-176.5170.70110.7W503 D518 V520W503-K522 HydrophobicContact CH2-CB 4.33Å; W503-K522 VanDerWaalsContact CH2-N 3.34Å; W503-K522 HydrophobicContact CZ3-CB 4.28Å; D518-K522 WeakPolarHBondContact OD2-CE 3.3Å; D518-K522 IonicContact OD2-NZ 2.81Å; D518-K522 PolarHBondContact OD2-NZ 3.04Å; V520-K522 PolarHBondContact O-N 3.32Å
523L98.2Very high95.8Very high43 Ų4359.6 Ų59.623%0.22534%0.339CS..  trans-72.1132.1173-71177.1000110.2F207 L211 K499 W503F207-L523 HydrophobicContact CB-CD2 4.34Å; F207-L523 HydrophobicContact CD1-CB 4.14Å; F207-L523 HydrophobicContact CD1-CD1 4.07Å; F207-L523 HydrophobicContact CD1-CD2 4.36Å; F207-L523 HydrophobicContact CD1-CG 4.44Å; F207-L523 HydrophobicContact CE1-CB 4.4Å; F207-L523 HydrophobicContact CE1-CD1 4.37Å; F207-L523 HydrophobicContact CG-CD1 4.4Å; L211-L523 HydrophobicContact CD1-CD2 3.93Å; L211-L523 HydrophobicContact CG-CD2 4.37Å; K499-L523 HydrophobicContact CG-CD1 3.59Å; W503-L523 HydrophobicContact CB-CD2 4.24Å; W503-L523 HydrophobicContact CE3-CD2 4.08Å; W503-L523 HydrophobicContact CE3-CG 4.4Å
524P98.2Very high95.9Very high19 Ų1961.5 Ų61.512%0.12335%0.354CS..  trans-70.1150.8179.7-18.332000112.7R210 L211R210-P524 HydrophobicContact CB-CB 4.15Å; R210-P524 HydrophobicContact CB-CG 4.26Å; L211-P524 HydrophobicContact CD2-CG 4.02Å; L211-P524 HydrophobicContact CG-CG 4.31Å
525L98.4Very high96Very high73 Ų7358.6 Ų58.638%0.38232%0.322SS..  trans-70.7176.4176.4-57.3-179.3000112.2Y527L525-Y527 HydrophobicContact CB-CE2 3.9Å; L525-Y527 VanDerWaalsContact O-CD2 3.27Å; L525-Y527 WeakPolarHBondContact O-CD2 3.43Å; L525-Y527 WeakPolarHBondContact O-CE2 3.23Å
526F98.7Very high96.2Very high1 Ų155.9 Ų55.90%0.00431%0.312CS..  trans-80.2137.8168.1175-89.6000110.2R116 L119 S120 F165 Q172 L249R116-F526 HydrophobicContact CB-CD1 4.3Å; R116-F526 HydrophobicContact CG-CD1 4.18Å; R116-F526 PolarHBondContact NE-O 3.28Å; L119-F526 HydrophobicContact CB-CB 4.01Å; L119-F526 HydrophobicContact CB-CD1 4.26Å; L119-F526 HydrophobicContact CB-CD2 3.75Å; L119-F526 HydrophobicContact CB-CE2 4.29Å; L119-F526 HydrophobicContact CB-CG 3.74Å; L119-F526 HydrophobicContact CD1-CD2 4.3Å; L119-F526 HydrophobicContact CD1-CE1 4.28Å; L119-F526 HydrophobicContact CD1-CE2 3.98Å; L119-F526 HydrophobicContact CD1-CZ 3.98Å; S120-F526 PolarHBondContact OG-N 3.14Å; F165-F526 HydrophobicContact CE1-CE1 4.25Å; F165-F526 AromaticContact CE1-CZ 3.77Å; F165-F526 HydrophobicContact CE1-CZ 3.77Å; F165-F526 AromaticContact CZ-CE1 4Å; F165-F526 HydrophobicContact CZ-CE1 4Å; F165-F526 AromaticContact CZ-CZ 3.67Å; F165-F526 HydrophobicContact CZ-CZ 3.67Å; Q172-F526 HydrophobicContact CB-CD2 4.49Å; Q172-F526 HydrophobicContact CB-CE2 3.66Å; Q172-F526 HydrophobicContact CB-CZ 4.13Å; Q172-F526 HydrophobicContact CG-CD2 3.82Å; Q172-F526 HydrophobicContact CG-CE2 3.47Å; Q172-F526 VanDerWaalsContact CG-CE2 3.47Å; Q172-F526 HydrophobicContact CG-CZ 4.21Å; Q172-F526 VanDerWaalsContact OE1-CD2 3.23Å; L249-F526 HydrophobicContact CD1-CE2 4.24Å
527Y98.4Very high96.5Very high32 Ų3249.7 Ų49.713%0.12527%0.274CS..  trans-131.8148.5176.5-62.1-90.2000112.1Q172 I173 N175 P176 L525 D531Q172-Y527 WeakPolarHBondContact CA-O 3.36Å; I173-Y527 PolarHBondContact N-O 3.46Å; N175-Y527 HydrophobicContact CB-CD2 4.29Å; N175-Y527 HydrophobicContact CB-CE2 4.25Å; P176-Y527 HydrophobicContact CG-CD1 4.24Å; P176-Y527 HydrophobicContact CG-CG 4.47Å; L525-Y527 HydrophobicContact CB-CE2 3.9Å; L525-Y527 VanDerWaalsContact O-CD2 3.27Å; L525-Y527 WeakPolarHBondContact O-CD2 3.43Å; L525-Y527 WeakPolarHBondContact O-CE2 3.23Å; Y527-D531 WeakPolarHBondContact CA-OD2 3.09Å; Y527-D531 HydrophobicContact CD1-CB 4.17Å
528S97.2Very high96.7Very high0 Ų054.5 Ų54.50%029%0.294CS..BIsolated β-bridgetrans-132.5174.9167.883.80000111.1Y112 P171 I173 I530 D531Y112-S528 VanDerWaalsContact CE2-OG 3.32Å; Y112-S528 WeakPolarHBondContact CE2-OG 3.4Å; Y112-S528 VanDerWaalsContact CZ-OG 3.28Å; Y112-S528 PolarHBondContact OH-OG 3.34Å; P171-S528 WeakPolarHBondContact O-CB 3.34Å; I173-S528 VanDerWaalsContact CD1-C 3.48Å; I173-S528 WeakPolarHBondContact CD1-O 3.46Å; S528-I530 PolarHBondContact O-N 3.34Å; S528-I530 VanDerWaalsContact O-N 3.09Å; S528-I530 WeakPolarHBondContact OG-CB 2.96Å; S528-I530 PolarHBondContact OG-N 3.27Å; S528-D531 PolarHBondContact N-OD2 3.24Å; S528-D531 PolarHBondContact O-N 2.93Å
529A95.8Very high97.1Very high28 Ų2851.5 Ų51.523%0.23128%0.278CS..G310 helixtrans-58.4-21.1174.500000113.6D531 Q532 Y841A529-D531 VanDerWaalsContact C-N 3.27Å; A529-D531 PolarHBondContact O-N 2.87Å; A529-Q532 PolarHBondContact O-N 3.36Å; A529-Y841 HydrophobicContact CB-CE2 3.82Å
530I97.4Very high97.5Very high0 Ų047.3 Ų47.30%025%0.254CS..G310 helixtrans-61.7-36.7174-67.4169.4000111Y112 I170 S528 Q532 V533 K837 A838 Y841Y112-I530 HydrophobicContact CD1-CB 4.28Å; Y112-I530 HydrophobicContact CD1-CD1 3.94Å; Y112-I530 HydrophobicContact CD1-CG2 3.69Å; Y112-I530 HydrophobicContact CD2-CD1 3.44Å; Y112-I530 VanDerWaalsContact CD2-CD1 3.44Å; Y112-I530 HydrophobicContact CE1-CB 3.66Å; Y112-I530 HydrophobicContact CE1-CD1 4.05Å; Y112-I530 HydrophobicContact CE1-CG1 4.45Å; Y112-I530 HydrophobicContact CE1-CG2 3.32Å; Y112-I530 HydrophobicContact CE2-CB 4.2Å; Y112-I530 HydrophobicContact CE2-CD1 3.57Å; Y112-I530 HydrophobicContact CE2-CG1 4.38Å; Y112-I530 HydrophobicContact CG-CD1 3.64Å; Y112-I530 HydrophobicContact CG-CG2 4.49Å; I170-I530 HydrophobicContact CD1-CD1 3.37Å; I170-I530 HydrophobicContact CD1-CG1 3.99Å; S528-I530 PolarHBondContact O-N 3.34Å; S528-I530 VanDerWaalsContact O-N 3.09Å; S528-I530 WeakPolarHBondContact OG-CB 2.96Å; S528-I530 PolarHBondContact OG-N 3.27Å; I530-Q532 PolarHBondContact O-N 2.69Å; I530-Q532 VanDerWaalsContact O-N 3.16Å; I530-V533 WeakPolarHBondContact O-CB 3.35Å; I530-V533 WeakPolarHBondContact O-CG2 3.36Å; I530-V533 PolarHBondContact O-N 2.65Å; I530-K837 HydrophobicContact CG2-CB 3.7Å; I530-K837 WeakPolarHBondContact O-CB 3.07Å; I530-A838 HydrophobicContact CD1-CB 4.23Å; I530-A838 HydrophobicContact CG2-CB 3.99Å; I530-Y841 HydrophobicContact CB-CG 4.49Å; I530-Y841 HydrophobicContact CD1-CD1 4.15Å; I530-Y841 HydrophobicContact CG1-CD1 3.48Å; I530-Y841 VanDerWaalsContact CG1-CD1 3.48Å; I530-Y841 HydrophobicContact CG1-CD2 4.25Å; I530-Y841 HydrophobicContact CG1-CE1 4.1Å; I530-Y841 HydrophobicContact CG1-CG 3.57Å
531D97.9Very high97.7Very high18 Ų1845.9 Ų45.910%0.09626%0.257CS..G310 helixtrans-68.6-20.3-173-57-46.4000112.7Y112 R116 Y527 S528 A529 V533 K837Y112-D531 PolarHBondContact OH-OD1 3.32Å; Y112-D531 PolarHBondContact OH-OD2 3.49Å; R116-D531 VanDerWaalsContact CD-OD1 3.3Å; R116-D531 WeakPolarHBondContact CD-OD1 3.49Å; R116-D531 IonicContact NE-OD1 2.65Å; R116-D531 PolarHBondContact NE-OD1 3.45Å; R116-D531 IonicContact NE-OD2 3.39Å; Y527-D531 WeakPolarHBondContact CA-OD2 3.09Å; Y527-D531 HydrophobicContact CD1-CB 4.17Å; S528-D531 PolarHBondContact N-OD2 3.24Å; S528-D531 PolarHBondContact O-N 2.93Å; A529-D531 VanDerWaalsContact C-N 3.27Å; A529-D531 PolarHBondContact O-N 2.87Å; D531-V533 VanDerWaalsContact C-N 3.34Å; D531-K837 PolarHBondContact O-NZ 2.87Å
532Q96.8Very high97.8Very high130 Ų13043.2 Ų43.261%0.60724%0.238SC*.G310 helixtrans-84.5-5.7176.9-59.2-173.621.300113.7I173 P176 A529 I530 D534I173-Q532 HydrophobicContact CD1-CG 4.28Å; P176-Q532 HydrophobicContact CG-CG 4.3Å; A529-Q532 PolarHBondContact O-N 3.36Å; I530-Q532 PolarHBondContact O-N 2.69Å; I530-Q532 VanDerWaalsContact O-N 3.16Å; Q532-D534 PolarHBondContact O-N 3.43Å
533V98.2Very high97.9Very high14 Ų1444 Ų449%0.08524%0.242CC..  trans-64.8125.9-179.9173.90000110.3I530 D531 I535 K837 L840 Y841 V921I530-V533 WeakPolarHBondContact O-CB 3.35Å; I530-V533 WeakPolarHBondContact O-CG2 3.36Å; I530-V533 PolarHBondContact O-N 2.65Å; D531-V533 VanDerWaalsContact C-N 3.34Å; V533-I535 HydrophobicContact CG1-CG2 4.33Å; V533-I535 PolarHBondContact O-N 3.05Å; V533-K837 HydrophobicContact CB-CB 3.97Å; V533-K837 HydrophobicContact CB-CG 3.94Å; V533-K837 HydrophobicContact CG1-CB 4.37Å; V533-K837 HydrophobicContact CG1-CG 4.3Å; V533-K837 WeakPolarHBondContact O-CE 3.38Å; V533-L840 HydrophobicContact CG1-CB 4.2Å; V533-L840 HydrophobicContact CG1-CD1 4.35Å; V533-Y841 HydrophobicContact CG2-CD2 3.85Å; V533-Y841 HydrophobicContact CG2-CG 4.42Å; V533-V921 HydrophobicContact CG1-CG1 3.82Å; V533-V921 HydrophobicContact CG2-CG1 3.98Å
534D98.3Very high98Very high105 Ų10542 Ų4256%0.56123%0.231SC*.  trans-75.2121174.3-173.14.1000110.3Q532 S536Q532-D534 PolarHBondContact O-N 3.43Å; D534-S536 VanDerWaalsContact CG-OG 3.3Å; D534-S536 WeakPolarHBondContact OD1-CB 3.43Å; D534-S536 PolarHBondContact OD1-N 3.29Å; D534-S536 PolarHBondContact OD1-OG 2.9Å; D534-S536 PolarHBondContact OD2-OG 2.97Å
535I98.8Very high98Very high9 Ų943.8 Ų43.85%0.04624%0.243CC..  trans-113.511.9176.257.5170.1000112V533 N546 P547 C833 L836 K837 L840 V924V533-I535 HydrophobicContact CG1-CG2 4.33Å; V533-I535 PolarHBondContact O-N 3.05Å; I535-N546 HydrophobicContact CD1-CB 3.73Å; I535-N546 HydrophobicContact CG1-CB 4.03Å; I535-P547 WeakPolarHBondContact O-CD 3.05Å; I535-C833 HydrophobicContact CD1-CB 3.74Å; I535-L836 HydrophobicContact CB-CD2 4.17Å; I535-L836 HydrophobicContact CG2-CB 4.47Å; I535-L836 HydrophobicContact CG2-CD2 4.09Å; I535-L836 HydrophobicContact CG2-CG 4.03Å; I535-K837 HydrophobicContact CD1-CG 4.31Å; I535-K837 HydrophobicContact CG1-CG 4.48Å; I535-K837 HydrophobicContact CG2-CB 4.48Å; I535-K837 HydrophobicContact CG2-CG 3.58Å; I535-L840 HydrophobicContact CG2-CD1 4.03Å; I535-V924 HydrophobicContact CB-CG2 4.33Å; I535-V924 WeakPolarHBondContact O-CG2 3.31Å
536S98.8Very high98Very high27 Ų2740.9 Ų40.919%0.18923%0.227CC..  trans-66.7155.7174.670.20000111.6D534 F544D534-S536 VanDerWaalsContact CG-OG 3.3Å; D534-S536 WeakPolarHBondContact OD1-CB 3.43Å; D534-S536 PolarHBondContact OD1-N 3.29Å; D534-S536 PolarHBondContact OD1-OG 2.9Å; D534-S536 PolarHBondContact OD2-OG 2.97Å; S536-F544 VanDerWaalsContact CA-O 3.26Å; S536-F544 WeakPolarHBondContact CA-O 3.35Å; S536-F544 VanDerWaalsContact CB-O 3.25Å; S536-F544 WeakPolarHBondContact CB-O 3.35Å
537V98.6Very high98Very high10 Ų1040.8 Ų40.86%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-147.8143.3178.464.10000110V539 F544 P547 V814 V924 I928V537-V539 HydrophobicContact CG2-CG2 4.25Å; V537-F544 HydrophobicContact CG1-CB 3.95Å; V537-F544 HydrophobicContact CG1-CG 4.48Å; V537-F544 PolarHBondContact N-O 3.46Å; V537-F544 WeakPolarHBondContact O-CB 3.29Å; V537-F544 PolarHBondContact O-N 2.94Å; V537-P547 HydrophobicContact CG1-CB 4.12Å; V537-V814 HydrophobicContact CG1-CG1 3.83Å; V537-V924 HydrophobicContact CB-CB 4.21Å; V537-V924 HydrophobicContact CB-CG1 3.9Å; V537-V924 HydrophobicContact CG1-CG1 4.48Å; V537-V924 HydrophobicContact CG2-CB 4.49Å; V537-V924 HydrophobicContact CG2-CG1 3.93Å; V537-I928 HydrophobicContact CG2-CD1 4.44Å
538E98.4Very high98Very high138 Ų13839.3 Ų39.365%0.64522%0.221SC*.EExtended strand (participates in β ladder)trans-105.8132.6174.9-167.7-177.6138.700110.1L542E538-L542 CarbonylContact C-O 3.45Å; E538-L542 VanDerWaalsContact CA-O 3.31Å; E538-L542 WeakPolarHBondContact CA-O 3.3Å
539V97.9Very high98.1Very high7 Ų739.3 Ų39.34%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-139.9123.4-179.5-170.50000108.9V537 G541 L542 F544 P791 S813 V814V537-V539 HydrophobicContact CG2-CG2 4.25Å; V539-G541 PolarHBondContact O-N 3.26Å; V539-L542 PolarHBondContact N-O 3.18Å; V539-L542 WeakPolarHBondContact O-CA 3.33Å; V539-L542 VanDerWaalsContact O-CB 3.28Å; V539-L542 WeakPolarHBondContact O-CB 3.44Å; V539-L542 PolarHBondContact O-N 2.96Å; V539-F544 HydrophobicContact CB-CD2 4.38Å; V539-F544 HydrophobicContact CB-CE2 3.87Å; V539-F544 HydrophobicContact CG2-CD2 4.19Å; V539-F544 HydrophobicContact CG2-CE2 4.08Å; V539-P791 HydrophobicContact CG1-CB 3.72Å; V539-P791 HydrophobicContact CG1-CG 4.2Å; V539-S813 VanDerWaalsContact CG2-CB 3.48Å; V539-V814 HydrophobicContact CG2-CG1 4.06Å
540C96.8Very high98.2Very high44 Ų4438 Ų3830%0.29721%0.21SC..THydrogen-bonded Turntrans52.435.5-178.6-52.50000114.1L542 P707 D732 P791C540-L542 PolarHBondContact O-N 3.18Å; C540-P707 HydrophobicContact CB-CB 4.09Å; C540-P707 HydrophobicContact CB-CG 4.11Å; C540-D732 HydrophobicContact CB-CB 4.48Å; C540-D732 PolarHBondContact SG-O 2.96Å; C540-P791 VanDerWaalsContact SG-CG 3.58Å
541G96.8Very high98.3Very high59 Ų5938.1 Ų38.161%0.60821%0.212SC*.THydrogen-bonded Turntrans76.82-175.800000115V539V539-G541 PolarHBondContact O-N 3.26Å
542L98.3Very high98.3Very high23 Ų2338.1 Ų38.112%0.1221%0.213CC..EExtended strand (participates in β ladder)trans-94.6126.6174.6-53.6177000109.8E538 V539 C540 F544 I638 D665 A666 P707E538-L542 CarbonylContact C-O 3.45Å; E538-L542 VanDerWaalsContact CA-O 3.31Å; E538-L542 WeakPolarHBondContact CA-O 3.3Å; V539-L542 PolarHBondContact N-O 3.18Å; V539-L542 WeakPolarHBondContact O-CA 3.33Å; V539-L542 VanDerWaalsContact O-CB 3.28Å; V539-L542 WeakPolarHBondContact O-CB 3.44Å; V539-L542 PolarHBondContact O-N 2.96Å; C540-L542 PolarHBondContact O-N 3.18Å; L542-F544 HydrophobicContact CB-CD2 4.44Å; L542-F544 HydrophobicContact CB-CE2 3.77Å; L542-F544 HydrophobicContact CB-CZ 4.39Å; L542-F544 WeakPolarHBondContact O-CD2 3.47Å; L542-I638 HydrophobicContact CB-CD1 4.25Å; L542-I638 HydrophobicContact CD1-CG2 4.44Å; L542-D665 HydrophobicContact CD1-CB 4.47Å; L542-D665 HydrophobicContact CD2-CB 4.23Å; L542-A666 HydrophobicContact CD1-CB 3.92Å; L542-P707 HydrophobicContact CD1-CG 4.28Å; L542-P707 HydrophobicContact CG-CG 4.33Å
543K98.5Very high98.4Very high145 Ų14532.4 Ų32.463%0.6319%0.188SC*.EExtended strand (participates in β ladder)trans-94112.2178.2-172.6175.9-178.5178.70110.6
544F98.8Very high98.4Very high1 Ų133 Ų330%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-91.3128.3175.6-64.6-103.5000109.4S536 V537 V539 L542 N546 F572 I638 V814S536-F544 VanDerWaalsContact CA-O 3.26Å; S536-F544 WeakPolarHBondContact CA-O 3.35Å; S536-F544 VanDerWaalsContact CB-O 3.25Å; S536-F544 WeakPolarHBondContact CB-O 3.35Å; V537-F544 HydrophobicContact CG1-CB 3.95Å; V537-F544 HydrophobicContact CG1-CG 4.48Å; V537-F544 PolarHBondContact N-O 3.46Å; V537-F544 WeakPolarHBondContact O-CB 3.29Å; V537-F544 PolarHBondContact O-N 2.94Å; V539-F544 HydrophobicContact CB-CD2 4.38Å; V539-F544 HydrophobicContact CB-CE2 3.87Å; V539-F544 HydrophobicContact CG2-CD2 4.19Å; V539-F544 HydrophobicContact CG2-CE2 4.08Å; L542-F544 HydrophobicContact CB-CD2 4.44Å; L542-F544 HydrophobicContact CB-CE2 3.77Å; L542-F544 HydrophobicContact CB-CZ 4.39Å; L542-F544 WeakPolarHBondContact O-CD2 3.47Å; F544-N546 PolarHBondContact O-N 3.42Å; F544-F572 HydrophobicContact CD1-CB 3.81Å; F544-F572 AromaticContact CD1-CD1 3.62Å; F544-F572 HydrophobicContact CD1-CD1 3.62Å; F544-F572 HydrophobicContact CD1-CE1 4.38Å; F544-F572 AromaticContact CD1-CG 3.87Å; F544-F572 HydrophobicContact CD1-CG 3.87Å; F544-F572 HydrophobicContact CE1-CB 3.7Å; F544-F572 AromaticContact CE1-CD1 3.74Å; F544-F572 HydrophobicContact CE1-CD1 3.74Å; F544-F572 HydrophobicContact CE1-CD2 4.16Å; F544-F572 HydrophobicContact CE1-CE1 4.37Å; F544-F572 AromaticContact CE1-CG 3.62Å; F544-F572 HydrophobicContact CE1-CG 3.62Å; F544-I638 HydrophobicContact CD1-CB 4.1Å; F544-I638 HydrophobicContact CD1-CG1 3.8Å; F544-I638 HydrophobicContact CD2-CG1 4.43Å; F544-I638 HydrophobicContact CE1-CB 3.79Å; F544-I638 HydrophobicContact CE1-CG1 3.84Å; F544-I638 HydrophobicContact CE1-CG2 3.76Å; F544-I638 HydrophobicContact CE2-CG1 4.43Å; F544-I638 HydrophobicContact CG-CG1 4.11Å; F544-I638 HydrophobicContact CZ-CB 4.3Å; F544-I638 HydrophobicContact CZ-CG1 4.15Å; F544-I638 HydrophobicContact CZ-CG2 3.9Å; F544-V814 HydrophobicContact CD1-CG1 3.95Å; F544-V814 HydrophobicContact CD2-CG1 4.1Å; F544-V814 HydrophobicContact CE1-CG1 4.13Å; F544-V814 HydrophobicContact CE2-CG1 4.3Å; F544-V814 HydrophobicContact CG-CG1 3.94Å; F544-V814 HydrophobicContact CZ-CG1 4.31Å
545P98.3Very high98.4Very high56 Ų5628.3 Ų28.336%0.36417%0.168SC..SBendtrans-68.2-24.7178.828.4-35.4000112.4
546N98.8Very high98.4Very high11 Ų1127.9 Ų27.96%0.05917%0.165CC..SBendtrans-154.1161.516963.972.3000108.7I535 F544 F548 G569 G571I535-N546 HydrophobicContact CD1-CB 3.73Å; I535-N546 HydrophobicContact CG1-CB 4.03Å; F544-N546 PolarHBondContact O-N 3.42Å; N546-F548 PolarHBondContact O-N 2.9Å; N546-F548 PolarHBondContact OD1-N 3.34Å; N546-F548 VanDerWaalsContact OD1-N 3.17Å; N546-F548 PolarHBondContact OD1-O 3.46Å; N546-G569 PolarHBondContact ND2-O 3.13Å; N546-G571 PolarHBondContact ND2-N 3.32Å; N546-G571 PolarHBondContact OD1-N 3.36Å
547P98.9Very high98.4Very high0 Ų029.1 Ų29.10%017%0.172CC..SBendtrans-83.34.6-171.135.4-35.8000113.1I535 V537 V814 L815 L836I535-P547 WeakPolarHBondContact O-CD 3.05Å; V537-P547 HydrophobicContact CG1-CB 4.12Å; P547-V814 CarbonylContact O-C 3.59Å; P547-V814 WeakPolarHBondContact O-CA 3.2Å; P547-L815 HydrophobicContact CB-CD1 4.47Å; P547-L815 HydrophobicContact CB-CG 4.5Å; P547-L815 HydrophobicContact CG-CD1 4.37Å; P547-L815 WeakPolarHBondContact O-CB 3.32Å; P547-L815 PolarHBondContact O-N 3.23Å; P547-L836 HydrophobicContact CG-CD2 3.56Å
548F98.9Very high98.4Very high0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-101134.3-173.8-57.5-78.5000111.3N546 W570 G571 F572 L815 I829 Y832 L836N546-F548 PolarHBondContact O-N 2.9Å; N546-F548 PolarHBondContact OD1-N 3.34Å; N546-F548 VanDerWaalsContact OD1-N 3.17Å; N546-F548 PolarHBondContact OD1-O 3.46Å; F548-W570 HydrophobicContact CB-CE3 4.3Å; F548-W570 HydrophobicContact CB-CZ3 4.17Å; F548-G571 PolarHBondContact O-N 2.99Å; F548-F572 VanDerWaalsContact C-CE1 3.43Å; F548-F572 WeakPolarHBondContact O-CD1 3.21Å; F548-F572 PolarHBondContact O-N 3.19Å; F548-L815 HydrophobicContact CD1-CB 4.11Å; F548-L815 HydrophobicContact CD1-CD1 3.77Å; F548-L815 HydrophobicContact CE1-CD1 3.43Å; F548-L815 VanDerWaalsContact CE1-CD1 3.43Å; F548-L815 HydrophobicContact CZ-CD1 4.1Å; F548-I829 HydrophobicContact CB-CD1 3.59Å; F548-I829 HydrophobicContact CD2-CD1 4.24Å; F548-I829 HydrophobicContact CG-CD1 4.23Å; F548-Y832 AromaticContact CD1-CD2 4Å; F548-Y832 HydrophobicContact CD1-CD2 4Å; F548-Y832 HydrophobicContact CD1-CG 4.39Å; F548-Y832 HydrophobicContact CE1-CD2 4.36Å; F548-Y832 HydrophobicContact CE1-CG 4.36Å; F548-Y832 WeakPolarHBondContact CE2-O 3.45Å; F548-Y832 HydrophobicContact CG-CD2 4.36Å; F548-L836 HydrophobicContact CE2-CB 4.1Å; F548-L836 HydrophobicContact CE2-CD2 3.76Å; F548-L836 HydrophobicContact CZ-CB 4.14Å; F548-L836 HydrophobicContact CZ-CD2 3.95Å
549G98.9Very high98.3Very high0 Ų024 Ų240%015%0.151CC..EExtended strand (participates in β ladder)trans-149164.7179.300000114.6F572 L815 Q816 V817G549-F572 CarbonylContact C-O 3.5Å; G549-F572 VanDerWaalsContact CA-CD1 3.42Å; G549-F572 WeakPolarHBondContact CA-O 3.46Å; G549-L815 PolarHBondContact N-O 3.21Å; G549-Q816 CarbonylContact O-C 3.12Å; G549-Q816 VanDerWaalsContact O-CA 3.31Å; G549-Q816 WeakPolarHBondContact O-CA 3.26Å; G549-V817 PolarHBondContact O-N 3.15Å
550L98.9Very high98.4Very high0 Ų026.5 Ų26.50%017%0.172CC..EExtended strand (participates in β ladder)trans-79.5127.2176.9-56.8-169.9000110.8T556 A565 W570 F572 A573 L574 I821 F826L550-T556 HydrophobicContact CB-CG2 3.45Å; L550-T556 VanDerWaalsContact CB-CG2 3.45Å; L550-T556 HydrophobicContact CD1-CG2 3.63Å; L550-T556 HydrophobicContact CG-CG2 4.22Å; L550-A565 HydrophobicContact CD1-CB 3.47Å; L550-A565 VanDerWaalsContact CD1-CB 3.47Å; L550-A565 HydrophobicContact CG-CB 4.2Å; L550-W570 HydrophobicContact CD2-CD2 3.58Å; L550-W570 HydrophobicContact CD2-CE3 3.7Å; L550-W570 HydrophobicContact CD2-CG 4.21Å; L550-W570 HydrophobicContact CD2-CH2 4.05Å; L550-W570 HydrophobicContact CD2-CZ2 3.96Å; L550-W570 HydrophobicContact CD2-CZ3 3.92Å; L550-W570 HydrophobicContact CG-CD2 4.23Å; L550-W570 HydrophobicContact CG-CE3 4.33Å; L550-W570 HydrophobicContact CG-CG 4.48Å; L550-F572 PolarHBondContact N-O 3.34Å; L550-A573 HydrophobicContact CB-CB 3.96Å; L550-A573 HydrophobicContact CD1-CB 4.33Å; L550-A573 HydrophobicContact CG-CB 4.22Å; L550-L574 WeakPolarHBondContact O-CB 3.39Å; L550-L574 PolarHBondContact O-N 3.21Å; L550-I821 HydrophobicContact CD2-CD1 3.21Å; L550-F826 HydrophobicContact CD1-CE1 3.89Å; L550-F826 HydrophobicContact CD1-CZ 4.49Å; L550-F826 HydrophobicContact CD2-CD1 4.34Å; L550-F826 HydrophobicContact CD2-CE1 4.23Å
551A98.8Very high98.5Very high4 Ų426.3 Ų26.33%0.03317%0.167CC..  trans-70.3154.9171.100000111.4A553 T556 Q816 V817 C818A551-A553 HydrophobicContact CB-CB 4.42Å; A551-A553 PolarHBondContact O-N 3.17Å; A551-T556 PolarHBondContact O-OG1 3.5Å; A551-Q816 HydrophobicContact CB-CB 3.73Å; A551-V817 PolarHBondContact N-O 2.65Å; A551-C818 HydrophobicContact CB-CB 4.19Å
552S98.6Very high98.6Very high18 Ų1823.5 Ų23.513%0.12614%0.138CC..SBendtrans-64.693.8170.4175.60000110.5T575 T577 S642S552-T575 VanDerWaalsContact CB-O 3.22Å; S552-T575 WeakPolarHBondContact CB-O 3.28Å; S552-T575 PolarHBondContact OG-O 3.07Å; S552-T577 PolarHBondContact OG-N 2.74Å; S552-T577 PolarHBondContact OG-OG1 3.17Å; S552-S642 PolarHBondContact OG-OG 3.2Å
553A98Very high98.6Very high9 Ų925.6 Ų25.67%0.07415%0.145CC..SBendtrans-167.7-174.8-163.200000112A551 P555 T556 C818A551-A553 HydrophobicContact CB-CB 4.42Å; A551-A553 PolarHBondContact O-N 3.17Å; A553-P555 VanDerWaalsContact C-CD 3.45Å; A553-P555 VanDerWaalsContact C-N 3.33Å; A553-T556 PolarHBondContact N-OG1 3.5Å; A553-T556 VanDerWaalsContact N-OG1 3.16Å; A553-T556 CarbonylContact O-C 3.41Å; A553-T556 PolarHBondContact O-N 3.39Å; A553-T556 PolarHBondContact O-OG1 3Å; A553-T556 VanDerWaalsContact O-OG1 3.11Å; A553-C818 HydrophobicContact CB-CB 3.91Å; A553-C818 WeakPolarHBondContact CB-SG 3.23Å
554P98.3Very high98.6Very high27 Ų2724.4 Ų24.418%0.17514%0.136CC..G310 helixtrans-53.4-37.1178.3-28.536.4000115.7T556 T557 M561 I592P554-T556 PolarHBondContact O-N 2.84Å; P554-T557 WeakPolarHBondContact CA-OG1 3.47Å; P554-T557 WeakPolarHBondContact O-CB 3.41Å; P554-T557 PolarHBondContact O-N 2.94Å; P554-T557 VanDerWaalsContact O-N 3.09Å; P554-T557 PolarHBondContact O-OG1 3.34Å; P554-M561 WeakPolarHBondContact O-CE 3.42Å; P554-I592 HydrophobicContact CB-CD1 4.45Å; P554-I592 HydrophobicContact CG-CD1 3.82Å
555P98.6Very high98.6Very high7 Ų724.3 Ų24.35%0.04514%0.136CC..G310 helixtrans-61.1-11.6173.4-26.437.5000115.1A553 M561 I821 Q822 F826A553-P555 VanDerWaalsContact C-CD 3.45Å; A553-P555 VanDerWaalsContact C-N 3.33Å; P555-M561 WeakPolarHBondContact O-CE 3.49Å; P555-I821 HydrophobicContact CB-CB 4.43Å; P555-I821 HydrophobicContact CB-CD1 4.19Å; P555-I821 HydrophobicContact CB-CG2 4.07Å; P555-I821 HydrophobicContact CG-CB 4.07Å; P555-I821 HydrophobicContact CG-CD1 4.37Å; P555-I821 HydrophobicContact CG-CG2 4.08Å; P555-Q822 HydrophobicContact CG-CG 4.28Å; P555-F826 HydrophobicContact CB-CE1 4.06Å; P555-F826 WeakPolarHBondContact O-CZ 3.26Å
556T98.6Very high98.6Very high0 Ų022.1 Ų22.10%012%0.121CC..G310 helixtrans-120.828.1176.560.60000112.2L550 A551 A553 P554 S558 I562 L574 K576 W623L550-T556 HydrophobicContact CB-CG2 3.45Å; L550-T556 VanDerWaalsContact CB-CG2 3.45Å; L550-T556 HydrophobicContact CD1-CG2 3.63Å; L550-T556 HydrophobicContact CG-CG2 4.22Å; A551-T556 PolarHBondContact O-OG1 3.5Å; A553-T556 PolarHBondContact N-OG1 3.5Å; A553-T556 VanDerWaalsContact N-OG1 3.16Å; A553-T556 CarbonylContact O-C 3.41Å; A553-T556 PolarHBondContact O-N 3.39Å; A553-T556 PolarHBondContact O-OG1 3Å; A553-T556 VanDerWaalsContact O-OG1 3.11Å; P554-T556 PolarHBondContact O-N 2.84Å; T556-S558 PolarHBondContact O-N 2.79Å; T556-I562 HydrophobicContact CG2-CD1 4.34Å; T556-I562 HydrophobicContact CG2-CG1 3.94Å; T556-L574 WeakPolarHBondContact CB-O 3.3Å; T556-L574 WeakPolarHBondContact CG2-O 3.48Å; T556-L574 PolarHBondContact OG1-O 3.13Å; T556-L574 VanDerWaalsContact OG1-O 3.12Å; T556-K576 WeakPolarHBondContact O-CB 3.46Å; T556-K576 PolarHBondContact O-N 2.89Å; T556-W623 VanDerWaalsContact O-CH2 3.23Å; T556-W623 WeakPolarHBondContact O-CH2 3.29Å
557T98.6Very high98.6Very high53 Ų5326.8 Ų26.833%0.32514%0.142SC..SBendtrans-57.7-30.9178.1-64.40000113.2P554 K618P554-T557 WeakPolarHBondContact CA-OG1 3.47Å; P554-T557 WeakPolarHBondContact O-CB 3.41Å; P554-T557 PolarHBondContact O-N 2.94Å; P554-T557 VanDerWaalsContact O-N 3.09Å; P554-T557 PolarHBondContact O-OG1 3.34Å; T557-K618 PolarHBondContact O-NZ 3.41Å
558S98.6Very high98.6Very high27 Ų2731.1 Ų31.119%0.18916%0.163CC..SBendtrans-139.5156175.665.70000111.8T556 A560 M561 I562T556-S558 PolarHBondContact O-N 2.79Å; S558-A560 VanDerWaalsContact C-N 3.31Å; S558-A560 PolarHBondContact O-N 2.87Å; S558-M561 VanDerWaalsContact O-CB 3.29Å; S558-M561 WeakPolarHBondContact O-CB 3.49Å; S558-M561 PolarHBondContact O-N 3.36Å; S558-M561 WeakPolarHBondContact OG-CG 3.28Å; S558-I562 PolarHBondContact O-N 2.86Å
559T97.1Very high98.6Very high14 Ų1432.7 Ų32.79%0.08618%0.178CC..Hα-helixtrans-70.2-28.4-178.152.90000112.9M561 I562 R563 Y622 W623 S626 L630T559-M561 PolarHBondContact O-N 3.44Å; T559-I562 PolarHBondContact O-N 2.92Å; T559-I562 VanDerWaalsContact O-N 3.12Å; T559-R563 PolarHBondContact O-N 2.83Å; T559-Y622 HydrophobicContact CG2-CE1 3.95Å; T559-Y622 PolarHBondContact N-OH 3.28Å; T559-Y622 PolarHBondContact OG1-OH 3.41Å; T559-W623 HydrophobicContact CG2-CE3 3.59Å; T559-W623 HydrophobicContact CG2-CH2 4.28Å; T559-W623 HydrophobicContact CG2-CZ3 3.41Å; T559-W623 VanDerWaalsContact CG2-CZ3 3.41Å; T559-S626 VanDerWaalsContact CB-CB 3.42Å; T559-S626 WeakPolarHBondContact CG2-OG 3.24Å; T559-S626 WeakPolarHBondContact OG1-CB 3.37Å; T559-S626 PolarHBondContact OG1-OG 2.86Å; T559-L630 HydrophobicContact CG2-CD1 4.43Å
560A98.7Very high98.6Very high58 Ų5832.7 Ų32.748%0.47918%0.178SC..Hα-helixtrans-61.9-26.816900000113.1S558 R564S558-A560 VanDerWaalsContact C-N 3.31Å; S558-A560 PolarHBondContact O-N 2.87Å; A560-R564 WeakPolarHBondContact O-CG 3.45Å; A560-R564 PolarHBondContact O-N 3.48Å; A560-R564 PolarHBondContact O-NE 2.97Å
561M98.8Very high98.6Very high40 Ų4032.7 Ų32.720%0.19718%0.178CC..Hα-helixtrans-73.2-42.4171.9-62.8168.17400111.1P554 P555 S558 T559 R564 A565 F826P554-M561 WeakPolarHBondContact O-CE 3.42Å; P555-M561 WeakPolarHBondContact O-CE 3.49Å; S558-M561 VanDerWaalsContact O-CB 3.29Å; S558-M561 WeakPolarHBondContact O-CB 3.49Å; S558-M561 PolarHBondContact O-N 3.36Å; S558-M561 WeakPolarHBondContact OG-CG 3.28Å; T559-M561 PolarHBondContact O-N 3.44Å; M561-R564 PolarHBondContact O-N 3.48Å; M561-A565 PolarHBondContact O-N 3.12Å; M561-F826 HydrophobicContact CB-CE2 4.24Å; M561-F826 HydrophobicContact CB-CZ 4.05Å; M561-F826 HydrophobicContact CE-CZ 4.28Å
562I98.9Very high98.6Very high0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-61.5-45.1176.5-63.5172.8000110.6T556 S558 T559 R564 A565 F566 A573 W623 L630T556-I562 HydrophobicContact CG2-CD1 4.34Å; T556-I562 HydrophobicContact CG2-CG1 3.94Å; S558-I562 PolarHBondContact O-N 2.86Å; T559-I562 PolarHBondContact O-N 2.92Å; T559-I562 VanDerWaalsContact O-N 3.12Å; I562-R564 PolarHBondContact O-N 3.48Å; I562-A565 WeakPolarHBondContact O-CB 3.31Å; I562-A565 PolarHBondContact O-N 3.17Å; I562-A565 VanDerWaalsContact O-N 3.09Å; I562-F566 HydrophobicContact CG2-CD2 4.06Å; I562-F566 HydrophobicContact CG2-CE1 4.27Å; I562-F566 HydrophobicContact CG2-CE2 3.63Å; I562-F566 HydrophobicContact CG2-CZ 3.75Å; I562-F566 PolarHBondContact O-N 3.42Å; I562-A573 HydrophobicContact CB-CB 4.49Å; I562-A573 HydrophobicContact CG1-CB 4.28Å; I562-A573 HydrophobicContact CG2-CB 3.58Å; I562-W623 HydrophobicContact CD1-CZ3 4.3Å; I562-L630 HydrophobicContact CB-CD1 4.02Å; I562-L630 HydrophobicContact CD1-CD1 4.38Å; I562-L630 HydrophobicContact CG2-CD1 3.67Å; I562-L630 HydrophobicContact CG2-CD2 4.23Å
563R98.8Very high98.6Very high67 Ų6731.6 Ų31.625%0.25317%0.171SC..Hα-helixtrans-51.4-53.7173.4170.3169.8-59.9-88.9-2.6111.7T559 A565 F566 E567 L630 D633 F634T559-R563 PolarHBondContact O-N 2.83Å; R563-A565 VanDerWaalsContact C-N 3.26Å; R563-A565 PolarHBondContact O-N 2.81Å; R563-F566 PolarHBondContact O-N 2.74Å; R563-F566 VanDerWaalsContact O-N 3.11Å; R563-E567 HydrophobicContact CG-CG 4.49Å; R563-E567 VanDerWaalsContact CG-OE1 3.24Å; R563-E567 WeakPolarHBondContact CG-OE1 3.29Å; R563-E567 WeakPolarHBondContact O-CG 3.4Å; R563-E567 PolarHBondContact O-N 3.03Å; R563-L630 HydrophobicContact CB-CD2 3.94Å; R563-D633 IonicContact CZ-OD2 3.13Å; R563-D633 IonicContact NH1-OD2 2.8Å; R563-D633 PolarHBondContact NH1-OD2 2.95Å; R563-D633 IonicContact NH2-OD2 2.63Å; R563-D633 PolarHBondContact NH2-OD2 3.42Å; R563-F634 HydrophobicContact CB-CE2 4.33Å; R563-F634 HydrophobicContact CG-CE2 3.91Å; R563-F634 HydrophobicContact CG-CZ 3.96Å
564R98.8Very high98.6Very high120 Ų12031.2 Ų31.245%0.45317%0.167SC..Hα-helixtrans-60.7-36.5178.6-72.9-176.5-62.7117.1-5.4112.2A560 M561 I562 E567 Q568A560-R564 WeakPolarHBondContact O-CG 3.45Å; A560-R564 PolarHBondContact O-N 3.48Å; A560-R564 PolarHBondContact O-NE 2.97Å; M561-R564 PolarHBondContact O-N 3.48Å; I562-R564 PolarHBondContact O-N 3.48Å; R564-E567 WeakPolarHBondContact CA-OE2 3.44Å; R564-E567 WeakPolarHBondContact O-CB 3.27Å; R564-E567 PolarHBondContact O-N 3.43Å; R564-Q568 WeakPolarHBondContact O-CG 3.35Å; R564-Q568 PolarHBondContact O-N 2.95Å
565A98.8Very high98.7Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-65.5-40.7175.200000112.3L550 M561 I562 R563 Q568 G569 W570 F826L550-A565 HydrophobicContact CD1-CB 3.47Å; L550-A565 VanDerWaalsContact CD1-CB 3.47Å; L550-A565 HydrophobicContact CG-CB 4.2Å; M561-A565 PolarHBondContact O-N 3.12Å; I562-A565 WeakPolarHBondContact O-CB 3.31Å; I562-A565 PolarHBondContact O-N 3.17Å; I562-A565 VanDerWaalsContact O-N 3.09Å; R563-A565 VanDerWaalsContact C-N 3.26Å; R563-A565 PolarHBondContact O-N 2.81Å; A565-Q568 PolarHBondContact O-N 2.84Å; A565-Q568 VanDerWaalsContact O-N 3.15Å; A565-G569 PolarHBondContact O-N 2.85Å; A565-G569 VanDerWaalsContact O-N 3.16Å; A565-W570 HydrophobicContact CB-CB 4.25Å; A565-W570 HydrophobicContact CB-CG 4.03Å; A565-W570 WeakPolarHBondContact O-CB 3.18Å; A565-W570 PolarHBondContact O-N 3.22Å; A565-W570 VanDerWaalsContact O-N 3.08Å; A565-F826 HydrophobicContact CB-CD1 4.09Å; A565-F826 HydrophobicContact CB-CD2 4.47Å; A565-F826 HydrophobicContact CB-CE1 4.27Å; A565-F826 HydrophobicContact CB-CG 4.22Å
566F98.8Very high98.6Very high9 Ų930.5 Ų30.54%0.03916%0.161CC..Hα-helixtrans-64.6-39.4172.9-66.9-21.7000112.5I562 R563 Q568 G569 W570 A573 L630 F634 N637 V639I562-F566 HydrophobicContact CG2-CD2 4.06Å; I562-F566 HydrophobicContact CG2-CE1 4.27Å; I562-F566 HydrophobicContact CG2-CE2 3.63Å; I562-F566 HydrophobicContact CG2-CZ 3.75Å; I562-F566 PolarHBondContact O-N 3.42Å; R563-F566 PolarHBondContact O-N 2.74Å; R563-F566 VanDerWaalsContact O-N 3.11Å; F566-Q568 PolarHBondContact O-N 3.3Å; F566-G569 PolarHBondContact O-N 2.98Å; F566-W570 HydrophobicContact CD1-CB 4.46Å; F566-W570 VanDerWaalsContact CD1-O 3.31Å; F566-W570 WeakPolarHBondContact CD1-O 3.21Å; F566-A573 HydrophobicContact CE1-CB 3.69Å; F566-A573 HydrophobicContact CZ-CB 3.76Å; F566-L630 HydrophobicContact CD2-CD2 4.36Å; F566-L630 HydrophobicContact CE2-CD2 4.46Å; F566-F634 HydrophobicContact CB-CD1 3.71Å; F566-F634 HydrophobicContact CB-CD2 4.37Å; F566-F634 HydrophobicContact CB-CE1 3.8Å; F566-F634 HydrophobicContact CB-CE2 4.45Å; F566-F634 HydrophobicContact CB-CG 4.01Å; F566-F634 HydrophobicContact CB-CZ 4.18Å; F566-F634 HydrophobicContact CD2-CB 3.9Å; F566-F634 HydrophobicContact CD2-CD1 4.33Å; F566-F634 AromaticContact CD2-CD2 3.79Å; F566-F634 HydrophobicContact CD2-CD2 3.79Å; F566-F634 HydrophobicContact CD2-CE2 4.39Å; F566-F634 AromaticContact CD2-CG 3.75Å; F566-F634 HydrophobicContact CD2-CG 3.75Å; F566-F634 HydrophobicContact CE2-CB 4.44Å; F566-F634 HydrophobicContact CG-CD1 4.46Å; F566-F634 HydrophobicContact CG-CG 4.31Å; F566-N637 HydrophobicContact CD1-CB 3.86Å; F566-N637 HydrophobicContact CD2-CB 3.97Å; F566-N637 HydrophobicContact CE1-CB 3.79Å; F566-N637 HydrophobicContact CE2-CB 3.9Å; F566-N637 HydrophobicContact CG-CB 3.94Å; F566-N637 HydrophobicContact CZ-CB 3.8Å; F566-V639 HydrophobicContact CE2-CG2 3.68Å; F566-V639 HydrophobicContact CZ-CG2 3.8Å
567E98.7Very high98.6Very high109 Ų10930.6 Ų30.651%0.50916%0.161SC..Hα-helixtrans-60.1-29.7172-68.3164179.800112.5R563 R564 F634R563-E567 HydrophobicContact CG-CG 4.49Å; R563-E567 VanDerWaalsContact CG-OE1 3.24Å; R563-E567 WeakPolarHBondContact CG-OE1 3.29Å; R563-E567 WeakPolarHBondContact O-CG 3.4Å; R563-E567 PolarHBondContact O-N 3.03Å; R564-E567 WeakPolarHBondContact CA-OE2 3.44Å; R564-E567 WeakPolarHBondContact O-CB 3.27Å; R564-E567 PolarHBondContact O-N 3.43Å; E567-F634 HydrophobicContact CG-CE1 4.25Å; E567-F634 HydrophobicContact CG-CZ 4.02Å
568Q98.4Very high98.6Very high92 Ų9228 Ų2843%0.4315%0.146SC..Hα-helixtrans-81.5-11.9172.6-62.4-49.9-77.700113.9R564 A565 F566 F826 I829R564-Q568 WeakPolarHBondContact O-CG 3.35Å; R564-Q568 PolarHBondContact O-N 2.95Å; A565-Q568 PolarHBondContact O-N 2.84Å; A565-Q568 VanDerWaalsContact O-N 3.15Å; F566-Q568 PolarHBondContact O-N 3.3Å; Q568-F826 HydrophobicContact CG-CB 4.07Å; Q568-I829 HydrophobicContact CB-CG2 3.97Å; Q568-I829 WeakPolarHBondContact O-CG2 3.42Å
569G98.5Very high98.5Very high32 Ų3227.1 Ų27.133%0.3314%0.14SC..THydrogen-bonded Turntrans105.712.4177.300000116.5N546 A565 F566 G571N546-G569 PolarHBondContact ND2-O 3.13Å; A565-G569 PolarHBondContact O-N 2.85Å; A565-G569 VanDerWaalsContact O-N 3.16Å; F566-G569 PolarHBondContact O-N 2.98Å; G569-G571 PolarHBondContact O-N 3.45Å
570W98.9Very high98.5Very high0 Ų027 Ų270%014%0.139CC..  trans-61.7128.4174.2-75.582.1000110.7F548 L550 A565 F566 F572 N637 V817 I821 F826 I829 Y832F548-W570 HydrophobicContact CB-CE3 4.3Å; F548-W570 HydrophobicContact CB-CZ3 4.17Å; L550-W570 HydrophobicContact CD2-CD2 3.58Å; L550-W570 HydrophobicContact CD2-CE3 3.7Å; L550-W570 HydrophobicContact CD2-CG 4.21Å; L550-W570 HydrophobicContact CD2-CH2 4.05Å; L550-W570 HydrophobicContact CD2-CZ2 3.96Å; L550-W570 HydrophobicContact CD2-CZ3 3.92Å; L550-W570 HydrophobicContact CG-CD2 4.23Å; L550-W570 HydrophobicContact CG-CE3 4.33Å; L550-W570 HydrophobicContact CG-CG 4.48Å; A565-W570 HydrophobicContact CB-CB 4.25Å; A565-W570 HydrophobicContact CB-CG 4.03Å; A565-W570 WeakPolarHBondContact O-CB 3.18Å; A565-W570 PolarHBondContact O-N 3.22Å; A565-W570 VanDerWaalsContact O-N 3.08Å; F566-W570 HydrophobicContact CD1-CB 4.46Å; F566-W570 VanDerWaalsContact CD1-O 3.31Å; F566-W570 WeakPolarHBondContact CD1-O 3.21Å; W570-F572 PolarHBondContact O-N 3.37Å; W570-N637 PolarHBondContact O-ND2 2.78Å; W570-V817 HydrophobicContact CH2-CB 3.8Å; W570-V817 HydrophobicContact CH2-CG1 4.07Å; W570-V817 HydrophobicContact CH2-CG2 4.04Å; W570-V817 HydrophobicContact CZ3-CB 3.92Å; W570-V817 HydrophobicContact CZ3-CG2 3.95Å; W570-I821 HydrophobicContact CH2-CD1 3.72Å; W570-I821 HydrophobicContact CH2-CG1 4.12Å; W570-I821 HydrophobicContact CZ2-CD1 3.65Å; W570-I821 HydrophobicContact CZ2-CG1 3.89Å; W570-F826 PolarHBondContact NE1-O 3.31Å; W570-I829 HydrophobicContact CD2-CB 3.97Å; W570-I829 HydrophobicContact CD2-CD1 4.01Å; W570-I829 HydrophobicContact CD2-CG1 4.16Å; W570-I829 HydrophobicContact CE3-CD1 3.99Å; W570-I829 HydrophobicContact CG-CB 4.05Å; W570-I829 HydrophobicContact CG-CD1 4.31Å; W570-I829 HydrophobicContact CG-CG1 4.07Å; W570-I829 HydrophobicContact CG-CG2 4.41Å; W570-I829 HydrophobicContact CZ2-CB 4.17Å; W570-I829 HydrophobicContact CZ3-CD1 4.44Å; W570-Y832 HydrophobicContact CH2-CD2 4.2Å; W570-Y832 AromaticContact CH2-CE2 4Å; W570-Y832 HydrophobicContact CH2-CE2 4Å
571G98.7Very high98.5Very high0 Ų028.9 Ų28.90%014%0.141CC..SBendtrans-72.4-30.8-171.600000114N546 F548 G569 I638N546-G571 PolarHBondContact ND2-N 3.32Å; N546-G571 PolarHBondContact OD1-N 3.36Å; F548-G571 PolarHBondContact O-N 2.99Å; G569-G571 PolarHBondContact O-N 3.45Å; G571-I638 PolarHBondContact O-N 3.19Å; G571-I638 VanDerWaalsContact O-N 3.16Å
572F98.9Very high98.2Very high0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans-150.2164.8174.174.7-81.2000112.8F544 F548 G549 L550 W570 I638 I640 V814 Q816F544-F572 HydrophobicContact CD1-CB 3.81Å; F544-F572 AromaticContact CD1-CD1 3.62Å; F544-F572 HydrophobicContact CD1-CD1 3.62Å; F544-F572 HydrophobicContact CD1-CE1 4.38Å; F544-F572 AromaticContact CD1-CG 3.87Å; F544-F572 HydrophobicContact CD1-CG 3.87Å; F544-F572 HydrophobicContact CE1-CB 3.7Å; F544-F572 AromaticContact CE1-CD1 3.74Å; F544-F572 HydrophobicContact CE1-CD1 3.74Å; F544-F572 HydrophobicContact CE1-CD2 4.16Å; F544-F572 HydrophobicContact CE1-CE1 4.37Å; F544-F572 AromaticContact CE1-CG 3.62Å; F544-F572 HydrophobicContact CE1-CG 3.62Å; F548-F572 VanDerWaalsContact C-CE1 3.43Å; F548-F572 WeakPolarHBondContact O-CD1 3.21Å; F548-F572 PolarHBondContact O-N 3.19Å; G549-F572 CarbonylContact C-O 3.5Å; G549-F572 VanDerWaalsContact CA-CD1 3.42Å; G549-F572 WeakPolarHBondContact CA-O 3.46Å; L550-F572 PolarHBondContact N-O 3.34Å; W570-F572 PolarHBondContact O-N 3.37Å; F572-I638 CarbonylContact C-O 3.56Å; F572-I638 WeakPolarHBondContact CA-O 3.27Å; F572-I638 HydrophobicContact CB-CB 3.63Å; F572-I638 HydrophobicContact CB-CG2 4.25Å; F572-I638 VanDerWaalsContact CB-O 3.26Å; F572-I638 WeakPolarHBondContact CB-O 3.37Å; F572-I640 HydrophobicContact CD2-CD1 3.99Å; F572-I640 HydrophobicContact CE2-CD1 4.31Å; F572-V814 HydrophobicContact CE1-CB 3.78Å; F572-V814 HydrophobicContact CE1-CG1 4.45Å; F572-V814 HydrophobicContact CE1-CG2 4.15Å; F572-V814 HydrophobicContact CZ-CB 4.03Å; F572-V814 HydrophobicContact CZ-CG2 3.93Å; F572-Q816 HydrophobicContact CE2-CG 3.99Å; F572-Q816 HydrophobicContact CZ-CG 3.94Å
573A98.9Very high98Very high0 Ų034.2 Ų34.20%016%0.164CC..EExtended strand (participates in β ladder)trans-147.4146.3174.100000111.5L550 I562 F566 I638 I640L550-A573 HydrophobicContact CB-CB 3.96Å; L550-A573 HydrophobicContact CD1-CB 4.33Å; L550-A573 HydrophobicContact CG-CB 4.22Å; I562-A573 HydrophobicContact CB-CB 4.49Å; I562-A573 HydrophobicContact CG1-CB 4.28Å; I562-A573 HydrophobicContact CG2-CB 3.58Å; F566-A573 HydrophobicContact CE1-CB 3.69Å; F566-A573 HydrophobicContact CZ-CB 3.76Å; A573-I638 PolarHBondContact N-O 2.94Å; A573-I640 PolarHBondContact O-N 2.99Å
574L98.9Very high97.7Very high0 Ų034.9 Ų34.90%017%0.172CC..EExtended strand (participates in β ladder)trans-94.3138.7168.4-77.3139.4000111L550 T556 I640 E668 Q816L550-L574 WeakPolarHBondContact O-CB 3.39Å; L550-L574 PolarHBondContact O-N 3.21Å; T556-L574 WeakPolarHBondContact CB-O 3.3Å; T556-L574 WeakPolarHBondContact CG2-O 3.48Å; T556-L574 PolarHBondContact OG1-O 3.13Å; T556-L574 VanDerWaalsContact OG1-O 3.12Å; L574-I640 VanDerWaalsContact CA-O 3.27Å; L574-I640 WeakPolarHBondContact CA-O 3.21Å; L574-I640 HydrophobicContact CD2-CB 3.58Å; L574-I640 HydrophobicContact CD2-CG2 3.49Å; L574-I640 VanDerWaalsContact CD2-CG2 3.49Å; L574-I640 HydrophobicContact CG-CB 3.96Å; L574-I640 HydrophobicContact CG-CG2 4.38Å; L574-E668 HydrophobicContact CD2-CB 3.44Å; L574-E668 VanDerWaalsContact CD2-CB 3.44Å; L574-E668 VanDerWaalsContact CD2-CD 3.45Å; L574-E668 HydrophobicContact CD2-CG 4.03Å; L574-E668 WeakPolarHBondContact CD2-OE1 3.27Å; L574-Q816 HydrophobicContact CD1-CG 4.05Å
575T98.9Very high97.5Very high0 Ų029.7 Ų29.70%015%0.154CC..PPolyproline II helixtrans-60.9150.6162.8660000109.5S552 T577 W623 V627 I640 S642S552-T575 VanDerWaalsContact CB-O 3.22Å; S552-T575 WeakPolarHBondContact CB-O 3.28Å; S552-T575 PolarHBondContact OG-O 3.07Å; T575-T577 PolarHBondContact O-N 3.44Å; T575-W623 HydrophobicContact CG2-CE3 3.65Å; T575-W623 HydrophobicContact CG2-CZ3 4.05Å; T575-V627 HydrophobicContact CG2-CG2 3.78Å; T575-I640 PolarHBondContact N-O 3.35Å; T575-S642 VanDerWaalsContact O-CB 3.27Å; T575-S642 WeakPolarHBondContact O-CB 3.38Å; T575-S642 PolarHBondContact OG1-N 3.46Å
576K98.3Very high97.4Very high19 Ų1935.2 Ų35.28%0.08319%0.188CC..PPolyproline II helixtrans-58.7135.9162.518072.7-177.3-169.70107.4T556 F578 E613 L614 W623T556-K576 WeakPolarHBondContact O-CB 3.46Å; T556-K576 PolarHBondContact O-N 2.89Å; K576-F578 PolarHBondContact O-N 3.42Å; K576-E613 IonicContact NZ-OE1 2.73Å; K576-E613 PolarHBondContact NZ-OE1 3.43Å; K576-L614 VanDerWaalsContact CE-O 3.23Å; K576-L614 WeakPolarHBondContact CE-O 3.12Å; K576-L614 PolarHBondContact NZ-O 3Å; K576-W623 HydrophobicContact CB-CH2 3.98Å; K576-W623 HydrophobicContact CB-CZ2 3.79Å
577T98.4Very high97.3Very high2 Ų235.9 Ų35.91%0.01219%0.192CC..PPolyproline II helixtrans-50.1130.4-178-57.60000110.4S552 T575 I615 S616 S642 M644 N670S552-T577 PolarHBondContact OG-N 2.74Å; S552-T577 PolarHBondContact OG-OG1 3.17Å; T575-T577 PolarHBondContact O-N 3.44Å; T577-I615 HydrophobicContact CG2-CB 4.24Å; T577-I615 HydrophobicContact CG2-CG2 3.63Å; T577-I615 WeakPolarHBondContact O-CB 3.36Å; T577-S616 WeakPolarHBondContact O-CB 3.47Å; T577-S616 PolarHBondContact O-N 2.64Å; T577-S642 VanDerWaalsContact CA-O 3.26Å; T577-S642 WeakPolarHBondContact CA-O 3.29Å; T577-S642 PolarHBondContact OG1-OG 3.37Å; T577-M644 HydrophobicContact CG2-CB 3.56Å; T577-N670 HydrophobicContact CG2-CB 3.69Å; T577-N670 PolarHBondContact OG1-ND2 3.25Å
578F98.4Very high97.2Very high0 Ų033.9 Ų33.90%019%0.187CC..BIsolated β-bridgetrans-127.6156.2175.963.7-89.2000111.3K576 A620 W623 S642 I643 M644 L655 A659K576-F578 PolarHBondContact O-N 3.42Å; F578-A620 HydrophobicContact CD2-CB 3.77Å; F578-A620 HydrophobicContact CE2-CB 3.97Å; F578-W623 HydrophobicContact CB-CG 4.11Å; F578-W623 HydrophobicContact CD1-CB 3.59Å; F578-W623 AromaticContact CD1-CD1 3.6Å; F578-W623 HydrophobicContact CD1-CD2 4.15Å; F578-W623 AromaticContact CD1-CG 3.48Å; F578-W623 HydrophobicContact CD1-CG 3.48Å; F578-W623 VanDerWaalsContact CD1-CG 3.48Å; F578-W623 HydrophobicContact CD2-CB 4.26Å; F578-W623 HydrophobicContact CE1-CB 3.56Å; F578-W623 AromaticContact CE1-CG 3.96Å; F578-W623 HydrophobicContact CE1-CG 3.96Å; F578-W623 HydrophobicContact CE2-CB 4.21Å; F578-W623 HydrophobicContact CG-CB 3.95Å; F578-W623 AromaticContact CG-CD1 3.47Å; F578-W623 VanDerWaalsContact CG-CD1 3.47Å; F578-W623 AromaticContact CG-CG 3.79Å; F578-W623 HydrophobicContact CG-CG 3.79Å; F578-W623 HydrophobicContact CZ-CB 3.88Å; F578-S642 WeakPolarHBondContact CD1-O 3.32Å; F578-S642 PolarHBondContact N-O 2.93Å; F578-S642 VanDerWaalsContact N-O 3.07Å; F578-I643 HydrophobicContact CD1-CG2 4.46Å; F578-I643 HydrophobicContact CD2-CG2 4.36Å; F578-I643 HydrophobicContact CE1-CG2 3.93Å; F578-I643 HydrophobicContact CE2-CG2 3.85Å; F578-I643 HydrophobicContact CZ-CG2 3.61Å; F578-I643 WeakPolarHBondContact O-CA 3.25Å; F578-M644 PolarHBondContact O-N 3.11Å; F578-M644 VanDerWaalsContact O-N 3.09Å; F578-L655 HydrophobicContact CD2-CD1 4Å; F578-L655 HydrophobicContact CE2-CD1 3.71Å; F578-A659 HydrophobicContact CZ-CB 4.36Å
579G96.6Very high97.1Very high7 Ų733.5 Ų33.57%0.07219%0.194CC..  trans-121.8-178.6178.900000111.4M644G579-M644 WeakPolarHBondContact CA-O 3.26Å
580L97.1Very high97.1Very high12 Ų1234 Ų346%0.06319%0.192CC..  trans-68.3160.3170.5-66.9170.1000110.4K582 D583 D651 K654 L655 M658L580-K582 HydrophobicContact CB-CG 4.16Å; L580-K582 PolarHBondContact O-N 3.14Å; L580-K582 VanDerWaalsContact O-N 3.1Å; L580-D583 WeakPolarHBondContact O-CA 3.35Å; L580-D583 WeakPolarHBondContact O-CB 3.31Å; L580-D583 PolarHBondContact O-N 2.88Å; L580-D651 HydrophobicContact CD1-CB 3.9Å; L580-K654 HydrophobicContact CD1-CD 4.44Å; L580-K654 HydrophobicContact CD2-CD 4.06Å; L580-K654 HydrophobicContact CD2-CG 4.26Å; L580-L655 HydrophobicContact CD2-CB 4.19Å; L580-L655 HydrophobicContact CD2-CD1 4.09Å; L580-L655 HydrophobicContact CG-CB 4.3Å; L580-L655 HydrophobicContact CG-CD1 4.46Å; L580-M658 HydrophobicContact CD2-SD 4Å
581D96.8Very high97Very high97 Ų9737.7 Ų37.752%0.51921%0.206SC..G310 helixtrans-59.1-28.2-177.8-66.9-11.5000113.4D583 L584D581-D583 PolarHBondContact O-N 3.44Å; D581-L584 WeakPolarHBondContact O-CD1 3.26Å; D581-L584 VanDerWaalsContact O-CG 3.25Å; D581-L584 WeakPolarHBondContact O-CG 3.23Å; D581-L584 PolarHBondContact O-N 2.88Å
582K94.6Very high97Very high134 Ų13440.5 Ų40.558%0.58322%0.22SC*.G310 helixtrans-67.4-19.6174.572.4-179.6-165.7175.80113.6L580 D651L580-K582 HydrophobicContact CB-CG 4.16Å; L580-K582 PolarHBondContact O-N 3.14Å; L580-K582 VanDerWaalsContact O-N 3.1Å; K582-D651 WeakPolarHBondContact CE-OD1 3.49Å; K582-D651 VanDerWaalsContact CE-OD2 3.24Å; K582-D651 WeakPolarHBondContact CE-OD2 3.35Å; K582-D651 IonicContact NZ-OD1 2.64Å; K582-D651 PolarHBondContact NZ-OD1 3.43Å; K582-D651 IonicContact NZ-OD2 2.62Å; K582-D651 PolarHBondContact NZ-OD2 2.92Å
583D92.8Very high97Very high19 Ų1940.8 Ų40.810%0.10222%0.222CC..G310 helixtrans-105.915.6-176.8-58-49.8000112L580 D581 V585 M682L580-D583 WeakPolarHBondContact O-CA 3.35Å; L580-D583 WeakPolarHBondContact O-CB 3.31Å; L580-D583 PolarHBondContact O-N 2.88Å; D581-D583 PolarHBondContact O-N 3.44Å; D583-V585 WeakPolarHBondContact O-CG1 3.3Å; D583-M682 HydrophobicContact CB-CE 4.27Å; D583-M682 WeakPolarHBondContact OD1-CE 3.28Å
584L93.8Very high96.9Very high81 Ų8143.2 Ų43.242%0.42423%0.231SC..  trans-54.4146.1176.8-78.2171000111.9D581 T619D581-L584 WeakPolarHBondContact O-CD1 3.26Å; D581-L584 VanDerWaalsContact O-CG 3.25Å; D581-L584 WeakPolarHBondContact O-CG 3.23Å; D581-L584 PolarHBondContact O-N 2.88Å; L584-T619 HydrophobicContact CD2-CG2 4.32Å
585V93.9Very high96.7Very high11 Ų1143.2 Ų43.27%0.06723%0.232CC..  trans-127163.5-177.1-62.50000111.8D583 L614 I615 E617 M677D583-V585 WeakPolarHBondContact O-CG1 3.3Å; V585-L614 HydrophobicContact CB-CB 4.35Å; V585-L614 HydrophobicContact CB-CD1 3.85Å; V585-L614 HydrophobicContact CG1-CD1 4.25Å; V585-L614 HydrophobicContact CG2-CB 3.96Å; V585-L614 HydrophobicContact CG2-CD1 4.34Å; V585-I615 HydrophobicContact CG1-CD1 4.36Å; V585-I615 HydrophobicContact CG1-CG1 4.15Å; V585-I615 HydrophobicContact CG2-CG1 3.64Å; V585-E617 HydrophobicContact CG2-CG 4.47Å; V585-M677 HydrophobicContact CB-CE 4.46Å; V585-M677 HydrophobicContact CG1-CE 3.5Å; V585-M677 VanDerWaalsContact CG1-CE 3.5Å
586T96.1Very high96.4Very high116 Ų11646.6 Ų46.671%0.71225%0.25SC*.  trans-130.6125.6172.6-54.30000108.2E617T586-E617 WeakPolarHBondContact CA-OE1 3.45Å
587N96.7Very high96.3Very high23 Ų2349.2 Ų49.212%0.12327%0.267CS..  trans-75.3150.2178.7-81.8-57.6000111.6E613 L614 E617N587-E613 WeakPolarHBondContact OD1-CG 3.44Å; N587-L614 PolarHBondContact OD1-N 3.13Å; N587-E617 PolarHBondContact N-OE1 3.02Å; N587-E617 WeakPolarHBondContact ND2-CG 3.13Å; N587-E617 PolarHBondContact ND2-OE2 2.9Å
588V97.2Very high96.1Very high66 Ų6652 Ų5240%0.429%0.287SS..  trans-90.7170.4168.9-62.60000111.6R591 I612 V756V588-R591 WeakPolarHBondContact O-CB 3.4Å; V588-R591 VanDerWaalsContact O-CD 3.24Å; V588-R591 WeakPolarHBondContact O-CD 3.29Å; V588-R591 WeakPolarHBondContact O-CG 3.44Å; V588-R591 PolarHBondContact O-NH1 3.28Å; V588-I612 HydrophobicContact CG2-CD1 3.95Å; V588-I612 HydrophobicContact CG2-CG1 4.4Å; V588-V756 HydrophobicContact CB-CG1 4.11Å; V588-V756 HydrophobicContact CB-CG2 4.47Å; V588-V756 HydrophobicContact CG1-CG1 4.48Å; V588-V756 HydrophobicContact CG2-CG2 4.19Å
589S97.1Very high95.8Very high85 Ų8553.6 Ų53.659%0.59430%0.303SS*.SBendtrans-146.1140.917357.70000112.1
590P97.7Very high95.7Very high43 Ų4361.1 Ų61.128%0.27934%0.336SS..SBendcis-70.2153-4.830.8-35.5000112.4W753 P754 C755P590-W753 HydrophobicContact CB-CH2 4.4Å; P590-W753 HydrophobicContact CG-CH2 4.14Å; P590-W753 HydrophobicContact CG-CZ3 4.05Å; P590-P754 HydrophobicContact CB-CB 4.33Å; P590-P754 HydrophobicContact CG-CB 3.99Å; P590-C755 WeakPolarHBondContact CD-O 3.34Å; P590-C755 WeakPolarHBondContact CG-O 3.34Å
591R97.6Very high95.5Very high76 Ų7664.7 Ų64.729%0.28736%0.358SS..  trans-141.5-9.3-17360.7170.5175.4-76.8-1.1117.1V588 N611 I612 E613V588-R591 WeakPolarHBondContact O-CB 3.4Å; V588-R591 VanDerWaalsContact O-CD 3.24Å; V588-R591 WeakPolarHBondContact O-CD 3.29Å; V588-R591 WeakPolarHBondContact O-CG 3.44Å; V588-R591 PolarHBondContact O-NH1 3.28Å; R591-N611 CarbonylContact O-C 3.57Å; R591-N611 WeakPolarHBondContact O-CA 3.37Å; R591-I612 HydrophobicContact CB-CG1 3.8Å; R591-I612 PolarHBondContact O-N 3.28Å; R591-E613 IonicContact NE-OE2 3.29Å; R591-E613 PolarHBondContact NE-OE2 3.13Å
592I98.3Very high95.5Very high60 Ų6067.7 Ų67.731%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-130.2127.5174-60.9169.3000106.7P554 F609 L610 N611P554-I592 HydrophobicContact CB-CD1 4.45Å; P554-I592 HydrophobicContact CG-CD1 3.82Å; I592-F609 HydrophobicContact CG2-CD1 4.32Å; I592-L610 WeakPolarHBondContact CA-O 3.42Å; I592-N611 HydrophobicContact CG1-CB 3.88Å
593V98Very high95.6Very high6 Ų663.7 Ų63.74%0.03636%0.36CS..EExtended strand (participates in β ladder)trans-132.2151.6-178.8-59.50000110.8F609 L610 M744 W753 P754V593-F609 WeakPolarHBondContact O-CA 3.36Å; V593-L610 HydrophobicContact CG2-CB 4.05Å; V593-L610 HydrophobicContact CG2-CD2 4.13Å; V593-L610 PolarHBondContact N-O 2.8Å; V593-L610 PolarHBondContact O-N 2.89Å; V593-M744 HydrophobicContact CG2-CB 4.33Å; V593-M744 HydrophobicContact CG2-CG 4.46Å; V593-W753 HydrophobicContact CG1-CD2 4.27Å; V593-W753 HydrophobicContact CG1-CG 4.24Å; V593-W753 HydrophobicContact CG1-CZ2 4.32Å; V593-P754 HydrophobicContact CG1-CB 3.76Å; V593-P754 HydrophobicContact CG1-CG 4.11Å
594R97.3Very high95.8Very high50 Ų5063.9 Ų63.919%0.18936%0.362CS..EExtended strand (participates in β ladder)trans-57.6148.1168.860155.9-71.5116.9-14111G599 V601 L606R594-G599 PolarHBondContact NH2-O 2.79Å; R594-V601 PolarHBondContact NH1-O 2.99Å; R594-V601 PolarHBondContact NH2-O 3.3Å; R594-L606 HydrophobicContact CB-CD1 3.73Å
595G95.3Very high95.8Very high1 Ų162.3 Ų62.31%0.0137%0.366CS..  trans-75.4147.9167.100000112.8S608 M744G595-S608 WeakPolarHBondContact CA-O 3.34Å; G595-S608 WeakPolarHBondContact CA-OG 3.28Å; G595-S608 PolarHBondContact N-O 3.04Å; G595-M744 WeakPolarHBondContact CA-SD 3.31Å
596N92.9Very high95.8Very high71 Ų7162.8 Ų62.838%0.3837%0.368SS..  trans-101.412.4167.963.3-0.1000112.2S598 G599 M744N596-S598 PolarHBondContact O-N 3.27Å; N596-S598 VanDerWaalsContact O-N 3.08Å; N596-G599 PolarHBondContact O-N 3.31Å; N596-M744 PolarHBondContact N-SD 3.22Å; N596-M744 VanDerWaalsContact N-SD 3.36Å; N596-M744 PolarHBondContact ND2-O 3.26Å; N596-M744 PolarHBondContact OD1-O 3.16Å; N596-M744 PolarHBondContact OD1-SD 3.5Å
597T95.9Very high95.6Very high74 Ų7458 Ų5845%0.45434%0.341SS..THydrogen-bonded Turntrans-62.9-16.4-176.755.50000114S608 M744 A771T597-S608 VanDerWaalsContact CG2-OG 3.23Å; T597-S608 WeakPolarHBondContact CG2-OG 3.46Å; T597-S608 PolarHBondContact OG1-OG 2.64Å; T597-M744 HydrophobicContact CG2-SD 4.42Å; T597-A771 HydrophobicContact CG2-CB 3.99Å
598S93.3Very high95.7Very high60 Ų6056.9 Ų56.942%0.4234%0.335SS..THydrogen-bonded Turntrans-118.824.217552.40000112.7N596N596-S598 PolarHBondContact O-N 3.27Å; N596-S598 VanDerWaalsContact O-N 3.08Å
599G93.5Very high95.8Very high34 Ų3454.8 Ų54.835%0.35132%0.321SS..  trans76.8-14817900000114R594 N596 V601R594-G599 PolarHBondContact NH2-O 2.79Å; N596-G599 PolarHBondContact O-N 3.31Å; G599-V601 VanDerWaalsContact C-N 3.29Å; G599-V601 PolarHBondContact O-N 3.36Å
600H94.4Very high95.8Very high165 Ų16550.8 Ų50.876%0.76429%0.293SS*.SBendtrans-90.339.5-175.1-60.2-65.4000113.6Y602H600-Y602 HydrophobicContact CB-CE2 4.26Å; H600-Y602 WeakPolarHBondContact O-CD2 3.13Å; H600-Y602 WeakPolarHBondContact O-CE2 3.44Å
601V93.6Very high95.8Very high87 Ų8750 Ų5053%0.52729%0.287SS..  trans-92.9119.4175179.90000109.4R594 G599R594-V601 PolarHBondContact NH1-O 2.99Å; R594-V601 PolarHBondContact NH2-O 3.3Å; G599-V601 VanDerWaalsContact C-N 3.29Å; G599-V601 PolarHBondContact O-N 3.36Å
602Y96.3Very high95.8Very high160 Ų16046.9 Ų46.963%0.62728%0.275SS*.  trans-107.3169.1-179.6-57.9-92.4000111.6H600H600-Y602 HydrophobicContact CB-CE2 4.26Å; H600-Y602 WeakPolarHBondContact O-CD2 3.13Å; H600-Y602 WeakPolarHBondContact O-CE2 3.44Å
603G96.4Very high95.7Very high49 Ų4944.7 Ų44.751%0.50526%0.264SS..SBendtrans83.8-136.2178.300000112.7L606G603-L606 WeakPolarHBondContact O-CD2 3.31Å; G603-L606 WeakPolarHBondContact O-CG 3.27Å
604P96.9Very high95.5Very high23 Ų2345.8 Ų45.815%0.14927%0.27CS..SBendtrans-67.7159.2-170.930.9-37.8000112.7L79 C81 L82 L606L79-P604 WeakPolarHBondContact O-CG 3.39Å; C81-P604 WeakPolarHBondContact O-CG 3.31Å; L82-P604 HydrophobicContact CD2-CG 4.27Å; P604-L606 PolarHBondContact O-N 2.79Å
605G92.9Very high95.3Very high49 Ų4943.8 Ų43.851%0.50526%0.262SS..SBendtrans65.836.5167.900000114.4G607G605-G607 PolarHBondContact O-N 3.45Å
606L95.3Very high95.5Very high20 Ų2044.1 Ų44.111%0.10527%0.265CS..  trans-60.3127.3177.7-58.3-175.3000110.6R594 G603 P604 S608 F609 N823R594-L606 HydrophobicContact CB-CD1 3.73Å; G603-L606 WeakPolarHBondContact O-CD2 3.31Å; G603-L606 WeakPolarHBondContact O-CG 3.27Å; P604-L606 PolarHBondContact O-N 2.79Å; L606-S608 PolarHBondContact O-N 2.77Å; L606-F609 HydrophobicContact CB-CE2 4.34Å; L606-F609 HydrophobicContact CB-CZ 4.2Å; L606-F609 HydrophobicContact CD1-CE1 3.74Å; L606-F609 HydrophobicContact CD1-CZ 3.77Å; L606-F609 HydrophobicContact CG-CZ 4.43Å; L606-N823 VanDerWaalsContact CB-OD1 3.24Å; L606-N823 WeakPolarHBondContact CB-OD1 3.24Å; L606-N823 WeakPolarHBondContact CG-OD1 3.39Å; L606-N823 PolarHBondContact N-ND2 3.3Å; L606-N823 PolarHBondContact N-OD1 3.02Å; L606-N823 PolarHBondContact O-ND2 2.94Å; L606-N823 VanDerWaalsContact O-ND2 3.07Å
607G91.8Very high95.7Very high15 Ų1545.1 Ų45.116%0.15527%0.267CS..SBendtrans-65.7-21.8-176.400000113.7G605 N770 A771G605-G607 PolarHBondContact O-N 3.45Å; G607-N770 PolarHBondContact O-N 3.32Å; G607-A771 PolarHBondContact O-N 2.94Å
608S98.1Very high95.8Very high0 Ų044.8 Ų44.80%026%0.259CS..  trans-160.3167.7173.656.70000112.6G595 T597 L606 S768G595-S608 WeakPolarHBondContact CA-O 3.34Å; G595-S608 WeakPolarHBondContact CA-OG 3.28Å; G595-S608 PolarHBondContact N-O 3.04Å; T597-S608 VanDerWaalsContact CG2-OG 3.23Å; T597-S608 WeakPolarHBondContact CG2-OG 3.46Å; T597-S608 PolarHBondContact OG1-OG 2.64Å; L606-S608 PolarHBondContact O-N 2.77Å; S608-S768 WeakPolarHBondContact CA-O 3.47Å; S608-S768 WeakPolarHBondContact CB-O 3.26Å
609F98.6Very high96.1Very high22 Ų2244.3 Ų44.310%0.09625%0.254CS..EExtended strand (participates in β ladder)trans-128.1153162.4-65-92.7000108.8I592 V593 L606 V767 S768 Q822I592-F609 HydrophobicContact CG2-CD1 4.32Å; V593-F609 WeakPolarHBondContact O-CA 3.36Å; L606-F609 HydrophobicContact CB-CE2 4.34Å; L606-F609 HydrophobicContact CB-CZ 4.2Å; L606-F609 HydrophobicContact CD1-CE1 3.74Å; L606-F609 HydrophobicContact CD1-CZ 3.77Å; L606-F609 HydrophobicContact CG-CZ 4.43Å; F609-V767 CarbonylContact O-C 3.31Å; F609-V767 WeakPolarHBondContact O-CA 3.37Å; F609-S768 PolarHBondContact N-O 3.16Å; F609-S768 PolarHBondContact O-N 3.43Å; F609-S768 PolarHBondContact O-OG 3.48Å; F609-Q822 HydrophobicContact CE2-CB 4.02Å; F609-Q822 HydrophobicContact CZ-CB 4.11Å
610L98.5Very high96.3Very high2 Ų242.8 Ų42.81%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-115.3137.1163.8176141000109.7I592 V593 I612 G742 M744 P754 G766 V767I592-L610 WeakPolarHBondContact CA-O 3.42Å; V593-L610 HydrophobicContact CG2-CB 4.05Å; V593-L610 HydrophobicContact CG2-CD2 4.13Å; V593-L610 PolarHBondContact N-O 2.8Å; V593-L610 PolarHBondContact O-N 2.89Å; L610-I612 HydrophobicContact CD2-CG2 4.49Å; L610-G742 WeakPolarHBondContact CD1-O 3.48Å; L610-M744 HydrophobicContact CB-CB 3.92Å; L610-M744 HydrophobicContact CB-CE 3.64Å; L610-M744 HydrophobicContact CB-CG 4.42Å; L610-M744 HydrophobicContact CD1-CB 4Å; L610-M744 HydrophobicContact CD2-CB 4.49Å; L610-M744 HydrophobicContact CG-CB 4.35Å; L610-P754 HydrophobicContact CD2-CG 4.47Å; L610-G766 WeakPolarHBondContact CA-O 3.33Å; L610-V767 HydrophobicContact CD1-CG2 4Å
611N98.1Very high96.5Very high27 Ų2737.8 Ų37.814%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-127.6148.3175.478.494.4000112.6R591 I592 E613 H675 G765 G766R591-N611 CarbonylContact O-C 3.57Å; R591-N611 WeakPolarHBondContact O-CA 3.37Å; I592-N611 HydrophobicContact CG1-CB 3.88Å; N611-E613 HydrophobicContact CB-CB 4.46Å; N611-E613 PolarHBondContact OD1-N 3.17Å; N611-H675 PolarHBondContact OD1-CE1 2.79Å; N611-H675 PolarHBondContact OD1-NE2 2.84Å; N611-G765 CarbonylContact O-C 3.57Å; N611-G765 WeakPolarHBondContact O-CA 3.47Å; N611-G766 PolarHBondContact N-O 2.94Å; N611-G766 PolarHBondContact ND2-O 3.02Å; N611-G766 PolarHBondContact O-N 3.47Å
612I97.1Very high96.8Very high9 Ų936.8 Ų36.85%0.04621%0.213CC..  trans-118.935.216755170.5000109.7V588 R591 L610 H675 P754 V756 T763V588-I612 HydrophobicContact CG2-CD1 3.95Å; V588-I612 HydrophobicContact CG2-CG1 4.4Å; R591-I612 HydrophobicContact CB-CG1 3.8Å; R591-I612 PolarHBondContact O-N 3.28Å; L610-I612 HydrophobicContact CD2-CG2 4.49Å; I612-H675 VanDerWaalsContact C-CD2 3.46Å; I612-P754 HydrophobicContact CD1-CG 3.88Å; I612-P754 HydrophobicContact CG1-CG 4.19Å; I612-V756 HydrophobicContact CD1-CG2 4.12Å; I612-T763 HydrophobicContact CB-CG2 4.29Å; I612-T763 HydrophobicContact CG2-CG2 3.84Å
613E95.2Very high96.9Very high15 Ų1529.2 Ų29.27%0.0718%0.183CC..  trans-86.9135.5-178.2-176.3175.892.500111.9K576 N587 R591 N611 H675K576-E613 IonicContact NZ-OE1 2.73Å; K576-E613 PolarHBondContact NZ-OE1 3.43Å; N587-E613 WeakPolarHBondContact OD1-CG 3.44Å; R591-E613 IonicContact NE-OE2 3.29Å; R591-E613 PolarHBondContact NE-OE2 3.13Å; N611-E613 HydrophobicContact CB-CB 4.46Å; N611-E613 PolarHBondContact OD1-N 3.17Å; E613-H675 PolarHBondContact N-NE2 3.06Å; E613-H675 PolarHBondContact O-CD2 3.2Å; E613-H675 PolarHBondContact O-NE2 3.41Å
614L93.9Very high97Very high29 Ų2927.8 Ų27.815%0.15217%0.165CC..  trans-79.8-166-179.9-58.1-179000112.4K576 V585 N587 M677K576-L614 VanDerWaalsContact CE-O 3.23Å; K576-L614 WeakPolarHBondContact CE-O 3.12Å; K576-L614 PolarHBondContact NZ-O 3Å; V585-L614 HydrophobicContact CB-CB 4.35Å; V585-L614 HydrophobicContact CB-CD1 3.85Å; V585-L614 HydrophobicContact CG1-CD1 4.25Å; V585-L614 HydrophobicContact CG2-CB 3.96Å; V585-L614 HydrophobicContact CG2-CD1 4.34Å; N587-L614 PolarHBondContact OD1-N 3.13Å; L614-M677 HydrophobicContact CB-CE 3.86Å; L614-M677 HydrophobicContact CD1-CE 4.47Å; L614-M677 HydrophobicContact CD2-CE 4.16Å; L614-M677 HydrophobicContact CG-CE 4.38Å
615I94.5Very high97.1Very high7 Ų732.7 Ų32.74%0.03619%0.186CC..SBendtrans-64.7179.3166.169.1179.9000110.6T577 V585 E617 M644 M677T577-I615 HydrophobicContact CG2-CB 4.24Å; T577-I615 HydrophobicContact CG2-CG2 3.63Å; T577-I615 WeakPolarHBondContact O-CB 3.36Å; V585-I615 HydrophobicContact CG1-CD1 4.36Å; V585-I615 HydrophobicContact CG1-CG1 4.15Å; V585-I615 HydrophobicContact CG2-CG1 3.64Å; I615-E617 PolarHBondContact O-N 3.26Å; I615-M644 HydrophobicContact CD1-CE 3.92Å; I615-M644 HydrophobicContact CG2-CE 3.41Å; I615-M644 VanDerWaalsContact CG2-CE 3.41Å; I615-M644 HydrophobicContact CG2-SD 4.02Å; I615-M677 HydrophobicContact CB-CE 4.2Å; I615-M677 HydrophobicContact CD1-CE 3.97Å; I615-M677 HydrophobicContact CG1-CE 3.64Å; I615-M677 HydrophobicContact CG2-CE 3.95Å
616S97.4Very high97.3Very high9 Ų930.7 Ų30.76%0.06316%0.164CC..  trans-57136.5178.2-163.20000111.9T577 K618 W623T577-S616 WeakPolarHBondContact O-CB 3.47Å; T577-S616 PolarHBondContact O-N 2.64Å; S616-K618 PolarHBondContact OG-N 3Å; S616-W623 WeakPolarHBondContact OG-CZ2 3.47Å; S616-W623 PolarHBondContact OG-NE1 2.7Å
617E98Very high97.5Very high91 Ų9129.7 Ų29.743%0.42516%0.159SC..SBendtrans-79.3-5.8167.8-67.2174.2114.400112V585 T586 N587 I615V585-E617 HydrophobicContact CG2-CG 4.47Å; T586-E617 WeakPolarHBondContact CA-OE1 3.45Å; N587-E617 PolarHBondContact N-OE1 3.02Å; N587-E617 WeakPolarHBondContact ND2-CG 3.13Å; N587-E617 PolarHBondContact ND2-OE2 2.9Å; I615-E617 PolarHBondContact O-N 3.26Å
618K98.4Very high97.8Very high67 Ų6731.2 Ų31.229%0.29117%0.17SC..SBendtrans-91143.7178-55.9-174.8-179.965.20110.6T557 S616 Y622 W623T557-K618 PolarHBondContact O-NZ 3.41Å; S616-K618 PolarHBondContact OG-N 3Å; K618-Y622 HydrophobicContact CB-CD1 3.59Å; K618-Y622 HydrophobicContact CB-CE1 4.13Å; K618-Y622 HydrophobicContact CB-CG 4.07Å; K618-Y622 HydrophobicContact CD-CD1 3.54Å; K618-Y622 HydrophobicContact CD-CD2 4.37Å; K618-Y622 HydrophobicContact CD-CE1 3.19Å; K618-Y622 HydrophobicContact CD-CE2 4.09Å; K618-Y622 HydrophobicContact CD-CG 4.12Å; K618-Y622 VanDerWaalsContact CD-CZ 3.49Å; K618-Y622 HydrophobicContact CG-CD1 4.2Å; K618-Y622 HydrophobicContact CG-CE1 4.29Å; K618-W623 HydrophobicContact CD-CZ2 4.41Å
619T98.6Very high97.9Very high51 Ų5135.1 Ų35.131%0.31319%0.188SC..  trans-67.4160.2-173.9630000113L584 A621 Y622 W623L584-T619 HydrophobicContact CD2-CG2 4.32Å; T619-A621 PolarHBondContact O-N 3.43Å; T619-Y622 WeakPolarHBondContact O-CB 3.38Å; T619-Y622 PolarHBondContact O-N 2.99Å; T619-Y622 PolarHBondContact OG1-N 2.98Å; T619-W623 PolarHBondContact O-N 3.46Å
620A98.4Very high97.9Very high1 Ų134.2 Ų34.21%0.00818%0.184CC..Hα-helixtrans-57.9-37.4171.900000112.1F578 Y622 W623 C624 L655 M658F578-A620 HydrophobicContact CD2-CB 3.77Å; F578-A620 HydrophobicContact CE2-CB 3.97Å; A620-Y622 PolarHBondContact O-N 3.43Å; A620-W623 PolarHBondContact O-N 3.37Å; A620-C624 WeakPolarHBondContact O-CB 3.48Å; A620-C624 PolarHBondContact O-N 2.66Å; A620-C624 PolarHBondContact O-SG 3.32Å; A620-L655 HydrophobicContact CB-CD1 4.12Å; A620-M658 HydrophobicContact CB-CE 3.88Å
621A98.5Very high97.9Very high61 Ų6135.4 Ų35.450%0.50419%0.189SC..Hα-helixtrans-59.9-44.8177.700000112.3T619 W623 C624 Q625T619-A621 PolarHBondContact O-N 3.43Å; A621-W623 VanDerWaalsContact C-N 3.34Å; A621-W623 PolarHBondContact O-N 3.38Å; A621-C624 PolarHBondContact O-N 2.95Å; A621-Q625 WeakPolarHBondContact O-CB 3.27Å; A621-Q625 PolarHBondContact O-N 3.21Å
622Y98.8Very high97.9Very high66 Ų6642.3 Ų42.326%0.25922%0.218SC..Hα-helixtrans-56.4-49.1174.4166.1-92.7000111.3T559 K618 T619 A620 S626T559-Y622 HydrophobicContact CG2-CE1 3.95Å; T559-Y622 PolarHBondContact N-OH 3.28Å; T559-Y622 PolarHBondContact OG1-OH 3.41Å; K618-Y622 HydrophobicContact CB-CD1 3.59Å; K618-Y622 HydrophobicContact CB-CE1 4.13Å; K618-Y622 HydrophobicContact CB-CG 4.07Å; K618-Y622 HydrophobicContact CD-CD1 3.54Å; K618-Y622 HydrophobicContact CD-CD2 4.37Å; K618-Y622 HydrophobicContact CD-CE1 3.19Å; K618-Y622 HydrophobicContact CD-CE2 4.09Å; K618-Y622 HydrophobicContact CD-CG 4.12Å; K618-Y622 VanDerWaalsContact CD-CZ 3.49Å; K618-Y622 HydrophobicContact CG-CD1 4.2Å; K618-Y622 HydrophobicContact CG-CE1 4.29Å; T619-Y622 WeakPolarHBondContact O-CB 3.38Å; T619-Y622 PolarHBondContact O-N 2.99Å; T619-Y622 PolarHBondContact OG1-N 2.98Å; A620-Y622 PolarHBondContact O-N 3.43Å; Y622-S626 WeakPolarHBondContact O-CB 3.23Å; Y622-S626 PolarHBondContact O-N 3.1Å; Y622-S626 PolarHBondContact O-OG 3.08Å
623W98.8Very high98Very high0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-67.4-45.3-177.4-71.9108.1000112.4T556 T559 I562 T575 K576 F578 S616 K618 T619 A620 A621 Q625 S626 V627T556-W623 VanDerWaalsContact O-CH2 3.23Å; T556-W623 WeakPolarHBondContact O-CH2 3.29Å; T559-W623 HydrophobicContact CG2-CE3 3.59Å; T559-W623 HydrophobicContact CG2-CH2 4.28Å; T559-W623 HydrophobicContact CG2-CZ3 3.41Å; T559-W623 VanDerWaalsContact CG2-CZ3 3.41Å; I562-W623 HydrophobicContact CD1-CZ3 4.3Å; T575-W623 HydrophobicContact CG2-CE3 3.65Å; T575-W623 HydrophobicContact CG2-CZ3 4.05Å; K576-W623 HydrophobicContact CB-CH2 3.98Å; K576-W623 HydrophobicContact CB-CZ2 3.79Å; F578-W623 HydrophobicContact CB-CG 4.11Å; F578-W623 HydrophobicContact CD1-CB 3.59Å; F578-W623 AromaticContact CD1-CD1 3.6Å; F578-W623 HydrophobicContact CD1-CD2 4.15Å; F578-W623 AromaticContact CD1-CG 3.48Å; F578-W623 HydrophobicContact CD1-CG 3.48Å; F578-W623 VanDerWaalsContact CD1-CG 3.48Å; F578-W623 HydrophobicContact CD2-CB 4.26Å; F578-W623 HydrophobicContact CE1-CB 3.56Å; F578-W623 AromaticContact CE1-CG 3.96Å; F578-W623 HydrophobicContact CE1-CG 3.96Å; F578-W623 HydrophobicContact CE2-CB 4.21Å; F578-W623 HydrophobicContact CG-CB 3.95Å; F578-W623 AromaticContact CG-CD1 3.47Å; F578-W623 VanDerWaalsContact CG-CD1 3.47Å; F578-W623 AromaticContact CG-CG 3.79Å; F578-W623 HydrophobicContact CG-CG 3.79Å; F578-W623 HydrophobicContact CZ-CB 3.88Å; S616-W623 WeakPolarHBondContact OG-CZ2 3.47Å; S616-W623 PolarHBondContact OG-NE1 2.7Å; K618-W623 HydrophobicContact CD-CZ2 4.41Å; T619-W623 PolarHBondContact O-N 3.46Å; A620-W623 PolarHBondContact O-N 3.37Å; A621-W623 VanDerWaalsContact C-N 3.34Å; A621-W623 PolarHBondContact O-N 3.38Å; W623-Q625 PolarHBondContact O-N 3.33Å; W623-S626 PolarHBondContact O-N 2.72Å; W623-V627 WeakPolarHBondContact O-CB 3.28Å; W623-V627 VanDerWaalsContact O-CG2 3.24Å; W623-V627 WeakPolarHBondContact O-CG2 3.38Å; W623-V627 PolarHBondContact O-N 3.12Å
624C98.8Very high98.1Very high20 Ų2046.4 Ų46.414%0.13524%0.239CC..Hα-helixtrans-61.9-46.4179.4-63.60000110.9A620 A621 S626 V627 A628 S662A620-C624 WeakPolarHBondContact O-CB 3.48Å; A620-C624 PolarHBondContact O-N 2.66Å; A620-C624 PolarHBondContact O-SG 3.32Å; A621-C624 PolarHBondContact O-N 2.95Å; C624-S626 VanDerWaalsContact C-N 3.34Å; C624-S626 PolarHBondContact O-N 3.49Å; C624-V627 PolarHBondContact O-N 3.17Å; C624-A628 PolarHBondContact O-N 2.92Å; C624-S662 VanDerWaalsContact O-CB 3.3Å; C624-S662 WeakPolarHBondContact O-CB 3.44Å
625Q98.8Very high98.3Very high126 Ų12648.7 Ų48.759%0.58926%0.256SS*.Hα-helixtrans-59.4-47176-176.5-175.9-2800111.3A621 W623 V627 A628 E629A621-Q625 WeakPolarHBondContact O-CB 3.27Å; A621-Q625 PolarHBondContact O-N 3.21Å; W623-Q625 PolarHBondContact O-N 3.33Å; Q625-V627 PolarHBondContact O-N 3.05Å; Q625-A628 WeakPolarHBondContact O-CB 3.33Å; Q625-A628 PolarHBondContact O-N 3.47Å; Q625-E629 PolarHBondContact NE2-OE1 2.89Å; Q625-E629 WeakPolarHBondContact O-CG 3.48Å; Q625-E629 PolarHBondContact O-N 3.25Å; Q625-E629 VanDerWaalsContact O-N 3.08Å
626S98.3Very high98.4Very high6 Ų655.6 Ų55.64%0.04229%0.288CS..Hα-helixtrans-69.8-28.4-178.8-70.90000114.4T559 Y622 W623 C624 E629 L630T559-S626 VanDerWaalsContact CB-CB 3.42Å; T559-S626 WeakPolarHBondContact CG2-OG 3.24Å; T559-S626 WeakPolarHBondContact OG1-CB 3.37Å; T559-S626 PolarHBondContact OG1-OG 2.86Å; Y622-S626 WeakPolarHBondContact O-CB 3.23Å; Y622-S626 PolarHBondContact O-N 3.1Å; Y622-S626 PolarHBondContact O-OG 3.08Å; W623-S626 PolarHBondContact O-N 2.72Å; C624-S626 VanDerWaalsContact C-N 3.34Å; C624-S626 PolarHBondContact O-N 3.49Å; S626-E629 PolarHBondContact O-N 3.43Å; S626-L630 WeakPolarHBondContact O-CB 3.32Å; S626-L630 VanDerWaalsContact O-CG 3.26Å; S626-L630 WeakPolarHBondContact O-CG 3.34Å; S626-L630 PolarHBondContact O-N 3.02Å
627V98.8Very high98.5Very high0 Ų056.4 Ų56.40%029%0.291CS..Hα-helixtrans-64.4-44.5172.3167.50000109.8T575 W623 C624 Q625 E629 L630 K631 V639 S662 A664T575-V627 HydrophobicContact CG2-CG2 3.78Å; W623-V627 WeakPolarHBondContact O-CB 3.28Å; W623-V627 VanDerWaalsContact O-CG2 3.24Å; W623-V627 WeakPolarHBondContact O-CG2 3.38Å; W623-V627 PolarHBondContact O-N 3.12Å; C624-V627 PolarHBondContact O-N 3.17Å; Q625-V627 PolarHBondContact O-N 3.05Å; V627-E629 VanDerWaalsContact C-N 3.31Å; V627-E629 PolarHBondContact O-N 3.38Å; V627-L630 PolarHBondContact O-N 3.22Å; V627-K631 HydrophobicContact CG1-CG 4.43Å; V627-K631 WeakPolarHBondContact O-CB 3.18Å; V627-K631 PolarHBondContact O-N 3.39Å; V627-V639 HydrophobicContact CG1-CG1 4.07Å; V627-V639 HydrophobicContact CG2-CG1 3.99Å; V627-S662 WeakPolarHBondContact CG1-OG 3.27Å; V627-A664 HydrophobicContact CG1-CB 3.98Å
628A98.8Very high98.5Very high46 Ų4652.4 Ų52.438%0.3827%0.273SS..Hα-helixtrans-59.2-42.8175.300000111.9C624 Q625 K632 S662C624-A628 PolarHBondContact O-N 2.92Å; Q625-A628 WeakPolarHBondContact O-CB 3.33Å; Q625-A628 PolarHBondContact O-N 3.47Å; A628-K632 VanDerWaalsContact O-CB 3.31Å; A628-K632 WeakPolarHBondContact O-CB 3.41Å; A628-K632 PolarHBondContact O-N 3.49Å; A628-S662 VanDerWaalsContact CA-O 3.26Å; A628-S662 WeakPolarHBondContact CA-O 3.34Å; A628-S662 WeakPolarHBondContact CB-O 3.41Å; A628-S662 PolarHBondContact N-O 3.14Å
629E98.8Very high98.6Very high82 Ų8249.2 Ų49.238%0.38326%0.259SS..Hα-helixtrans-62.3-46.8174.8-69166.9-172.100112.2Q625 S626 V627 K632 D633Q625-E629 PolarHBondContact NE2-OE1 2.89Å; Q625-E629 WeakPolarHBondContact O-CG 3.48Å; Q625-E629 PolarHBondContact O-N 3.25Å; Q625-E629 VanDerWaalsContact O-N 3.08Å; S626-E629 PolarHBondContact O-N 3.43Å; V627-E629 VanDerWaalsContact C-N 3.31Å; V627-E629 PolarHBondContact O-N 3.38Å; E629-K632 PolarHBondContact O-N 2.98Å; E629-D633 PolarHBondContact O-N 2.83Å; E629-D633 VanDerWaalsContact O-N 3.11Å
630L98.8Very high98.6Very high3 Ų346.8 Ų46.82%0.01624%0.244CC..Hα-helixtrans-64.1-42179.7-74.4170.5000111.8T559 I562 R563 F566 S626 V627 D633 F634 V639T559-L630 HydrophobicContact CG2-CD1 4.43Å; I562-L630 HydrophobicContact CB-CD1 4.02Å; I562-L630 HydrophobicContact CD1-CD1 4.38Å; I562-L630 HydrophobicContact CG2-CD1 3.67Å; I562-L630 HydrophobicContact CG2-CD2 4.23Å; R563-L630 HydrophobicContact CB-CD2 3.94Å; F566-L630 HydrophobicContact CD2-CD2 4.36Å; F566-L630 HydrophobicContact CE2-CD2 4.46Å; S626-L630 WeakPolarHBondContact O-CB 3.32Å; S626-L630 VanDerWaalsContact O-CG 3.26Å; S626-L630 WeakPolarHBondContact O-CG 3.34Å; S626-L630 PolarHBondContact O-N 3.02Å; V627-L630 PolarHBondContact O-N 3.22Å; L630-D633 PolarHBondContact O-N 3.31Å; L630-F634 HydrophobicContact CD2-CD2 4.19Å; L630-F634 HydrophobicContact CD2-CE2 4.25Å; L630-F634 WeakPolarHBondContact O-CA 3.31Å; L630-F634 WeakPolarHBondContact O-CB 3.4Å; L630-F634 WeakPolarHBondContact O-CD2 3.21Å; L630-F634 PolarHBondContact O-N 2.96Å; L630-V639 HydrophobicContact CB-CG2 4.19Å
631K98.6Very high98.6Very high28 Ų2846.8 Ų46.812%0.12224%0.244CC..Hα-helixtrans-72.9-30.1-179.8-73.8-58.7-45.7-171.80113.5V627 P635 N637 V639 G663 D665V627-K631 HydrophobicContact CG1-CG 4.43Å; V627-K631 WeakPolarHBondContact O-CB 3.18Å; V627-K631 PolarHBondContact O-N 3.39Å; K631-P635 PolarHBondContact NZ-O 2.76Å; K631-P635 WeakPolarHBondContact O-CA 3.42Å; K631-N637 PolarHBondContact NZ-O 3.44Å; K631-V639 HydrophobicContact CD-CB 3.81Å; K631-V639 HydrophobicContact CD-CG2 3.58Å; K631-V639 HydrophobicContact CG-CB 4.18Å; K631-V639 HydrophobicContact CG-CG2 4.08Å; K631-G663 WeakPolarHBondContact CG-O 3.32Å; K631-D665 VanDerWaalsContact CD-OD2 3.27Å; K631-D665 WeakPolarHBondContact CD-OD2 3.32Å; K631-D665 WeakPolarHBondContact CE-OD1 3.39Å; K631-D665 WeakPolarHBondContact CE-OD2 3.47Å; K631-D665 IonicContact NZ-OD1 3.19Å; K631-D665 PolarHBondContact NZ-OD1 3.17Å; K631-D665 IonicContact NZ-OD2 2.77Å; K631-D665 PolarHBondContact NZ-OD2 3.34Å
632K98.5Very high98.6Very high172 Ų17243.9 Ų43.975%0.74822%0.22SC*.Hα-helixtrans-63.3-44.9170.3-178-177.4176-174.70111.4A628 E629A628-K632 VanDerWaalsContact O-CB 3.31Å; A628-K632 WeakPolarHBondContact O-CB 3.41Å; A628-K632 PolarHBondContact O-N 3.49Å; E629-K632 PolarHBondContact O-N 2.98Å
633D98.6Very high98.6Very high80 Ų8040.7 Ų40.743%0.42821%0.207SC..Hα-helixtrans-85.9-27.4-173.6-69.96.7000113.1R563 E629 L630R563-D633 IonicContact CZ-OD2 3.13Å; R563-D633 IonicContact NH1-OD2 2.8Å; R563-D633 PolarHBondContact NH1-OD2 2.95Å; R563-D633 IonicContact NH2-OD2 2.63Å; R563-D633 PolarHBondContact NH2-OD2 3.42Å; E629-D633 PolarHBondContact O-N 2.83Å; E629-D633 VanDerWaalsContact O-N 3.11Å; L630-D633 PolarHBondContact O-N 3.31Å
634F98.6Very high98.5Very high30 Ų3040.8 Ų40.813%0.13221%0.207CC..  trans-128.866.5-177.5-55.6-82.8000110.8R563 F566 E567 L630 H636 N637R563-F634 HydrophobicContact CB-CE2 4.33Å; R563-F634 HydrophobicContact CG-CE2 3.91Å; R563-F634 HydrophobicContact CG-CZ 3.96Å; F566-F634 HydrophobicContact CB-CD1 3.71Å; F566-F634 HydrophobicContact CB-CD2 4.37Å; F566-F634 HydrophobicContact CB-CE1 3.8Å; F566-F634 HydrophobicContact CB-CE2 4.45Å; F566-F634 HydrophobicContact CB-CG 4.01Å; F566-F634 HydrophobicContact CB-CZ 4.18Å; F566-F634 HydrophobicContact CD2-CB 3.9Å; F566-F634 HydrophobicContact CD2-CD1 4.33Å; F566-F634 AromaticContact CD2-CD2 3.79Å; F566-F634 HydrophobicContact CD2-CD2 3.79Å; F566-F634 HydrophobicContact CD2-CE2 4.39Å; F566-F634 AromaticContact CD2-CG 3.75Å; F566-F634 HydrophobicContact CD2-CG 3.75Å; F566-F634 HydrophobicContact CE2-CB 4.44Å; F566-F634 HydrophobicContact CG-CD1 4.46Å; F566-F634 HydrophobicContact CG-CG 4.31Å; E567-F634 HydrophobicContact CG-CE1 4.25Å; E567-F634 HydrophobicContact CG-CZ 4.02Å; L630-F634 HydrophobicContact CD2-CD2 4.19Å; L630-F634 HydrophobicContact CD2-CE2 4.25Å; L630-F634 WeakPolarHBondContact O-CA 3.31Å; L630-F634 WeakPolarHBondContact O-CB 3.4Å; L630-F634 WeakPolarHBondContact O-CD2 3.21Å; L630-F634 PolarHBondContact O-N 2.96Å; F634-H636 PolarHBondContact O-N 3.26Å; F634-N637 HydrophobicContact CB-CB 3.99Å; F634-N637 PolarHBondContact O-N 3Å
635P97.9Very high98.2Very high77 Ų7739.9 Ų39.950%0.520%0.201SC..THydrogen-bonded Turntrans-62.8-28.6-173.224.8-35000113.2K631K631-P635 PolarHBondContact NZ-O 2.76Å; K631-P635 WeakPolarHBondContact O-CA 3.42Å
636H97.3Very high97.8Very high152 Ų15235.2 Ų35.270%0.70418%0.183SC*.THydrogen-bonded Turntrans-90-12.2-178.3-57.5-52.9000114.4F634F634-H636 PolarHBondContact O-N 3.26Å
637N98.6Very high97.5Very high25 Ų2539.1 Ų39.113%0.13420%0.197CC..SBendtrans-88.9137.6174.4-60.674.2000108.9F566 W570 K631 F634F566-N637 HydrophobicContact CD1-CB 3.86Å; F566-N637 HydrophobicContact CD2-CB 3.97Å; F566-N637 HydrophobicContact CE1-CB 3.79Å; F566-N637 HydrophobicContact CE2-CB 3.9Å; F566-N637 HydrophobicContact CG-CB 3.94Å; F566-N637 HydrophobicContact CZ-CB 3.8Å; W570-N637 PolarHBondContact O-ND2 2.78Å; K631-N637 PolarHBondContact NZ-O 3.44Å; F634-N637 HydrophobicContact CB-CB 3.99Å; F634-N637 PolarHBondContact O-N 3Å
638I98.9Very high97.3Very high8 Ų841.5 Ų41.54%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-84.2126.9-177.4-56-59.7000109.9L542 F544 G571 F572 A573 I640 D665L542-I638 HydrophobicContact CB-CD1 4.25Å; L542-I638 HydrophobicContact CD1-CG2 4.44Å; F544-I638 HydrophobicContact CD1-CB 4.1Å; F544-I638 HydrophobicContact CD1-CG1 3.8Å; F544-I638 HydrophobicContact CD2-CG1 4.43Å; F544-I638 HydrophobicContact CE1-CB 3.79Å; F544-I638 HydrophobicContact CE1-CG1 3.84Å; F544-I638 HydrophobicContact CE1-CG2 3.76Å; F544-I638 HydrophobicContact CE2-CG1 4.43Å; F544-I638 HydrophobicContact CG-CG1 4.11Å; F544-I638 HydrophobicContact CZ-CB 4.3Å; F544-I638 HydrophobicContact CZ-CG1 4.15Å; F544-I638 HydrophobicContact CZ-CG2 3.9Å; G571-I638 PolarHBondContact O-N 3.19Å; G571-I638 VanDerWaalsContact O-N 3.16Å; F572-I638 CarbonylContact C-O 3.56Å; F572-I638 WeakPolarHBondContact CA-O 3.27Å; F572-I638 HydrophobicContact CB-CB 3.63Å; F572-I638 HydrophobicContact CB-CG2 4.25Å; F572-I638 VanDerWaalsContact CB-O 3.26Å; F572-I638 WeakPolarHBondContact CB-O 3.37Å; A573-I638 PolarHBondContact N-O 2.94Å; I638-I640 HydrophobicContact CG2-CD1 4.39Å; I638-I640 HydrophobicContact CG2-CG1 3.91Å; I638-D665 VanDerWaalsContact CA-OD2 3.28Å; I638-D665 WeakPolarHBondContact CA-OD2 3.39Å; I638-D665 HydrophobicContact CD1-CB 4.39Å; I638-D665 HydrophobicContact CG2-CB 3.87Å
639V98.9Very high97.2Very high0 Ų044.4 Ų44.40%021%0.214CC..EExtended strand (participates in β ladder)trans-112.5116.2175.4-178.20000108.9F566 V627 L630 K631 D665F566-V639 HydrophobicContact CE2-CG2 3.68Å; F566-V639 HydrophobicContact CZ-CG2 3.8Å; V627-V639 HydrophobicContact CG1-CG1 4.07Å; V627-V639 HydrophobicContact CG2-CG1 3.99Å; L630-V639 HydrophobicContact CB-CG2 4.19Å; K631-V639 HydrophobicContact CD-CB 3.81Å; K631-V639 HydrophobicContact CD-CG2 3.58Å; K631-V639 HydrophobicContact CG-CB 4.18Å; K631-V639 HydrophobicContact CG-CG2 4.08Å; V639-D665 PolarHBondContact N-OD2 3.41Å; V639-D665 PolarHBondContact O-N 3.21Å
640I98.9Very high97.1Very high0 Ų046.3 Ų46.30%022%0.223CC..EExtended strand (participates in β ladder)trans-107.2119.4179.8-49.9-179.2000109F572 A573 L574 T575 I638 S642 A666 E668 F709 L793F572-I640 HydrophobicContact CD2-CD1 3.99Å; F572-I640 HydrophobicContact CE2-CD1 4.31Å; A573-I640 PolarHBondContact O-N 2.99Å; L574-I640 VanDerWaalsContact CA-O 3.27Å; L574-I640 WeakPolarHBondContact CA-O 3.21Å; L574-I640 HydrophobicContact CD2-CB 3.58Å; L574-I640 HydrophobicContact CD2-CG2 3.49Å; L574-I640 VanDerWaalsContact CD2-CG2 3.49Å; L574-I640 HydrophobicContact CG-CB 3.96Å; L574-I640 HydrophobicContact CG-CG2 4.38Å; T575-I640 PolarHBondContact N-O 3.35Å; I638-I640 HydrophobicContact CG2-CD1 4.39Å; I638-I640 HydrophobicContact CG2-CG1 3.91Å; I640-S642 PolarHBondContact O-N 3.11Å; I640-A666 WeakPolarHBondContact CA-O 3.23Å; I640-A666 HydrophobicContact CG1-CB 4.3Å; I640-A666 HydrophobicContact CG2-CB 4.16Å; I640-E668 HydrophobicContact CG2-CB 3.88Å; I640-F709 HydrophobicContact CD1-CE2 4.29Å; I640-L793 HydrophobicContact CD1-CD2 4Å
641S98.9Very high97.1Very high0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-81.5110.1179.1-75.70000110.2A664 A666 L667 E668S641-A664 WeakPolarHBondContact OG-CB 3.33Å; S641-A666 PolarHBondContact N-O 3.03Å; S641-L667 WeakPolarHBondContact O-CA 3.28Å; S641-E668 PolarHBondContact O-N 2.95Å
642S98.8Very high97Very high0 Ų045.6 Ų45.60%022%0.22CC..EExtended strand (participates in β ladder)trans-82.2122174.1-172.90000110.1S552 T575 T577 F578 I640 E668S552-S642 PolarHBondContact OG-OG 3.2Å; T575-S642 VanDerWaalsContact O-CB 3.27Å; T575-S642 WeakPolarHBondContact O-CB 3.38Å; T575-S642 PolarHBondContact OG1-N 3.46Å; T577-S642 VanDerWaalsContact CA-O 3.26Å; T577-S642 WeakPolarHBondContact CA-O 3.29Å; T577-S642 PolarHBondContact OG1-OG 3.37Å; F578-S642 WeakPolarHBondContact CD1-O 3.32Å; F578-S642 PolarHBondContact N-O 2.93Å; F578-S642 VanDerWaalsContact N-O 3.07Å; I640-S642 PolarHBondContact O-N 3.11Å; S642-E668 CarbonylContact C-O 3.59Å; S642-E668 VanDerWaalsContact CA-O 3.29Å; S642-E668 WeakPolarHBondContact CA-O 3.46Å
643I98.4Very high97Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-130.6153.6-174.257.3164.9000112.2F578 W652 L655 A656 A659 L667 E668 L669 N670F578-I643 HydrophobicContact CD1-CG2 4.46Å; F578-I643 HydrophobicContact CD2-CG2 4.36Å; F578-I643 HydrophobicContact CE1-CG2 3.93Å; F578-I643 HydrophobicContact CE2-CG2 3.85Å; F578-I643 HydrophobicContact CZ-CG2 3.61Å; F578-I643 WeakPolarHBondContact O-CA 3.25Å; I643-W652 HydrophobicContact CD1-CE3 4.3Å; I643-W652 HydrophobicContact CD1-CZ3 4.17Å; I643-W652 HydrophobicContact CG1-CZ3 4.07Å; I643-L655 HydrophobicContact CB-CD2 3.74Å; I643-L655 HydrophobicContact CB-CG 4.03Å; I643-L655 HydrophobicContact CD1-CG 4.37Å; I643-L655 HydrophobicContact CG2-CD2 4.09Å; I643-L655 HydrophobicContact CG2-CG 3.95Å; I643-A656 HydrophobicContact CD1-CB 4.04Å; I643-A659 HydrophobicContact CG2-CB 4.23Å; I643-L667 HydrophobicContact CD1-CD1 4.15Å; I643-E668 PolarHBondContact N-O 3.01Å; I643-L669 HydrophobicContact CD1-CD2 4.05Å; I643-L669 HydrophobicContact CG1-CD2 4.01Å; I643-N670 PolarHBondContact O-N 3.16Å
644M96.6Very high97Very high1 Ų141.2 Ų41.21%0.00520%0.201CC..  trans-149.2137.6177.5-168.8176.179.800111.8T577 F578 G579 I615 N670 M677 M682T577-M644 HydrophobicContact CG2-CB 3.56Å; F578-M644 PolarHBondContact O-N 3.11Å; F578-M644 VanDerWaalsContact O-N 3.09Å; G579-M644 WeakPolarHBondContact CA-O 3.26Å; I615-M644 HydrophobicContact CD1-CE 3.92Å; I615-M644 HydrophobicContact CG2-CE 3.41Å; I615-M644 VanDerWaalsContact CG2-CE 3.41Å; I615-M644 HydrophobicContact CG2-SD 4.02Å; M644-N670 HydrophobicContact CB-CB 4.32Å; M644-N670 WeakPolarHBondContact CG-O 3.41Å; M644-M677 HydrophobicContact CE-CB 4.24Å; M644-M677 HydrophobicContact CE-CE 3.89Å; M644-M677 HydrophobicContact CE-CG 3.64Å; M644-M677 HydrophobicContact CE-SD 3.4Å; M644-M677 WeakPolarHBondContact CE-SD 3.35Å; M644-M677 HydrophobicContact SD-CG 4.44Å; M644-M682 HydrophobicContact CE-CB 4.21Å; M644-M682 HydrophobicContact CE-SD 4.2Å; M644-M682 HydrophobicContact SD-CB 4.43Å
645C92.8Very high97Very high1 Ų139.8 Ų39.81%0.00720%0.195CC..  trans-134.1170.2171.2-61.10000110.7D651 W652 L655C645-D651 HydrophobicContact CB-CB 3.83Å; C645-W652 HydrophobicContact CB-CD2 3.98Å; C645-W652 HydrophobicContact CB-CG 4.03Å; C645-W652 HydrophobicContact CB-CZ2 4.34Å; C645-L655 WeakPolarHBondContact SG-CD2 3.2Å
646S90.1Very high97Very high29 Ų2936.1 Ų36.120%0.20317%0.171CC..  trans-62.2170161.869.10000111.7N648 D651 W652 M682S646-N648 PolarHBondContact O-N 3.44Å; S646-D651 PolarHBondContact OG-OD2 3.2Å; S646-W652 VanDerWaalsContact O-CD1 3.29Å; S646-W652 PolarHBondContact O-NE1 3.02Å; S646-M682 PolarHBondContact N-SD 2.92Å; S646-M682 VanDerWaalsContact N-SD 3.45Å
647Y92.4Very high97.1Very high88 Ų8833.3 Ų33.335%0.34516%0.156SC..SBendtrans-70.968.7173.2-171-111.7000111.3L692 N695 I696 W699Y647-L692 HydrophobicContact CD1-CD2 4.04Å; Y647-L692 HydrophobicContact CD2-CB 4.23Å; Y647-L692 HydrophobicContact CD2-CD2 3.96Å; Y647-L692 HydrophobicContact CE1-CD2 3.6Å; Y647-L692 HydrophobicContact CE2-CB 3.93Å; Y647-L692 HydrophobicContact CE2-CD2 3.52Å; Y647-L692 HydrophobicContact CE2-CG 4.3Å; Y647-L692 HydrophobicContact CG-CD2 4.2Å; Y647-N695 HydrophobicContact CE2-CB 4.19Å; Y647-N695 WeakPolarHBondContact OH-CB 3.48Å; Y647-N695 PolarHBondContact OH-ND2 3.09Å; Y647-I696 HydrophobicContact CD2-CD1 4.03Å; Y647-I696 HydrophobicContact CD2-CG1 3.91Å; Y647-I696 HydrophobicContact CE2-CD1 4.49Å; Y647-I696 HydrophobicContact CE2-CG1 4.07Å; Y647-W699 HydrophobicContact CD1-CH2 4.32Å; Y647-W699 AromaticContact CD2-CH2 3.76Å; Y647-W699 HydrophobicContact CD2-CH2 3.76Å; Y647-W699 AromaticContact CD2-CZ3 3.83Å; Y647-W699 HydrophobicContact CD2-CZ3 3.83Å; Y647-W699 AromaticContact CE1-CH2 3.98Å; Y647-W699 HydrophobicContact CE1-CH2 3.98Å; Y647-W699 AromaticContact CE2-CH2 3.35Å; Y647-W699 HydrophobicContact CE2-CH2 3.35Å; Y647-W699 HydrophobicContact CE2-CZ2 4.2Å; Y647-W699 AromaticContact CE2-CZ3 3.76Å; Y647-W699 HydrophobicContact CE2-CZ3 3.76Å; Y647-W699 HydrophobicContact CG-CH2 4.23Å; Y647-W699 HydrophobicContact CG-CZ3 4.46Å; Y647-W699 AromaticContact CZ-CH2 3.49Å; Y647-W699 VanDerWaalsContact CZ-CH2 3.49Å
648N94.6Very high97.1Very high50 Ų5034.7 Ų34.727%0.26716%0.163SC..  trans-136.6126.7-179.9175-87.4000109.6S646 E650 D651 W652S646-N648 PolarHBondContact O-N 3.44Å; N648-E650 PolarHBondContact ND2-OE2 3.45Å; N648-E650 WeakPolarHBondContact OD1-CB 3.37Å; N648-E650 PolarHBondContact OD1-N 3.16Å; N648-E650 VanDerWaalsContact OD1-N 3.09Å; N648-E650 PolarHBondContact OD1-OE2 3.29Å; N648-D651 HydrophobicContact CB-CB 4.2Å; N648-D651 WeakPolarHBondContact CB-OD2 3.42Å; N648-D651 WeakPolarHBondContact OD1-CB 3.35Å; N648-D651 PolarHBondContact OD1-N 3Å; N648-D651 PolarHBondContact OD1-OD2 3.41Å; N648-W652 VanDerWaalsContact O-CD1 3.28Å; N648-W652 PolarHBondContact O-N 3.47Å
649K95.9Very high97.1Very high106 Ų10634.3 Ų34.346%0.46116%0.161SC..Hα-helixtrans-65.2-43.6-174.4178.1177.1179.9-172.60112.2D651 T653 W699K649-D651 VanDerWaalsContact C-N 3.32Å; K649-D651 PolarHBondContact O-N 2.82Å; K649-T653 VanDerWaalsContact O-CB 3.31Å; K649-T653 WeakPolarHBondContact O-CB 3.42Å; K649-T653 PolarHBondContact O-N 3.26Å; K649-T653 PolarHBondContact O-OG1 3.26Å; K649-W699 HydrophobicContact CB-CD2 3.75Å; K649-W699 HydrophobicContact CB-CE3 4.06Å; K649-W699 HydrophobicContact CB-CG 4.13Å; K649-W699 HydrophobicContact CB-CH2 4.39Å; K649-W699 HydrophobicContact CB-CZ2 4.12Å; K649-W699 HydrophobicContact CB-CZ3 4.37Å; K649-W699 HydrophobicContact CD-CG 4.22Å; K649-W699 HydrophobicContact CG-CB 4.19Å; K649-W699 HydrophobicContact CG-CD2 3.85Å; K649-W699 HydrophobicContact CG-CG 3.66Å
650E97.9Very high97.1Very high122 Ų12236.2 Ų36.257%0.5717%0.17SC*.Hα-helixtrans-64.3-40-176.4-64.167.8-142.900111N648 T653 K654N648-E650 PolarHBondContact ND2-OE2 3.45Å; N648-E650 WeakPolarHBondContact OD1-CB 3.37Å; N648-E650 PolarHBondContact OD1-N 3.16Å; N648-E650 VanDerWaalsContact OD1-N 3.09Å; N648-E650 PolarHBondContact OD1-OE2 3.29Å; E650-T653 PolarHBondContact O-N 3.17Å; E650-K654 VanDerWaalsContact O-CB 3.26Å; E650-K654 WeakPolarHBondContact O-CB 3.41Å; E650-K654 PolarHBondContact O-N 3.28Å
651D97.1Very high97.1Very high15 Ų1543.5 Ų43.58%0.0820%0.204CC..Hα-helixtrans-65.4-51178.5-67.7-25.2000112.2L580 K582 C645 S646 N648 K649 T653 K654 L655L580-D651 HydrophobicContact CD1-CB 3.9Å; K582-D651 WeakPolarHBondContact CE-OD1 3.49Å; K582-D651 VanDerWaalsContact CE-OD2 3.24Å; K582-D651 WeakPolarHBondContact CE-OD2 3.35Å; K582-D651 IonicContact NZ-OD1 2.64Å; K582-D651 PolarHBondContact NZ-OD1 3.43Å; K582-D651 IonicContact NZ-OD2 2.62Å; K582-D651 PolarHBondContact NZ-OD2 2.92Å; C645-D651 HydrophobicContact CB-CB 3.83Å; S646-D651 PolarHBondContact OG-OD2 3.2Å; N648-D651 HydrophobicContact CB-CB 4.2Å; N648-D651 WeakPolarHBondContact CB-OD2 3.42Å; N648-D651 WeakPolarHBondContact OD1-CB 3.35Å; N648-D651 PolarHBondContact OD1-N 3Å; N648-D651 PolarHBondContact OD1-OD2 3.41Å; K649-D651 VanDerWaalsContact C-N 3.32Å; K649-D651 PolarHBondContact O-N 2.82Å; D651-T653 VanDerWaalsContact C-N 3.28Å; D651-T653 PolarHBondContact O-N 2.97Å; D651-K654 PolarHBondContact O-N 3.15Å; D651-L655 WeakPolarHBondContact O-CB 3.37Å; D651-L655 PolarHBondContact O-N 3.32Å
652W97.8Very high97Very high1 Ų144.1 Ų44.10%0.00421%0.208CC..Hα-helixtrans-60-41.7176.6-82.9104.3000111.2I643 C645 S646 N648 A656 L669 L671 I696 V700I643-W652 HydrophobicContact CD1-CE3 4.3Å; I643-W652 HydrophobicContact CD1-CZ3 4.17Å; I643-W652 HydrophobicContact CG1-CZ3 4.07Å; C645-W652 HydrophobicContact CB-CD2 3.98Å; C645-W652 HydrophobicContact CB-CG 4.03Å; C645-W652 HydrophobicContact CB-CZ2 4.34Å; S646-W652 VanDerWaalsContact O-CD1 3.29Å; S646-W652 PolarHBondContact O-NE1 3.02Å; N648-W652 VanDerWaalsContact O-CD1 3.28Å; N648-W652 PolarHBondContact O-N 3.47Å; W652-A656 WeakPolarHBondContact O-CB 3.48Å; W652-A656 PolarHBondContact O-N 3.16Å; W652-L669 HydrophobicContact CE3-CD2 4.3Å; W652-L669 HydrophobicContact CH2-CB 4.14Å; W652-L669 HydrophobicContact CZ3-CB 4.02Å; W652-L669 HydrophobicContact CZ3-CD2 3.76Å; W652-L669 HydrophobicContact CZ3-CG 4.32Å; W652-L671 HydrophobicContact CH2-CD2 3.81Å; W652-L671 HydrophobicContact CZ2-CD2 3.72Å; W652-I696 HydrophobicContact CD2-CG2 3.7Å; W652-I696 HydrophobicContact CE3-CG2 4.08Å; W652-I696 HydrophobicContact CG-CG2 4.14Å; W652-I696 HydrophobicContact CH2-CG2 4.28Å; W652-I696 HydrophobicContact CZ2-CD1 4.39Å; W652-I696 HydrophobicContact CZ2-CG2 3.93Å; W652-I696 HydrophobicContact CZ3-CG2 4.35Å; W652-V700 HydrophobicContact CB-CG2 4.3Å; W652-V700 HydrophobicContact CD2-CG2 4.45Å; W652-V700 HydrophobicContact CE3-CG2 3.87Å
653T98.3Very high97Very high36 Ų3646 Ų4622%0.22123%0.227CC..Hα-helixtrans-61.8-47.9176.6-58.10000111K649 E650 D651 K657 A703K649-T653 VanDerWaalsContact O-CB 3.31Å; K649-T653 WeakPolarHBondContact O-CB 3.42Å; K649-T653 PolarHBondContact O-N 3.26Å; K649-T653 PolarHBondContact O-OG1 3.26Å; E650-T653 PolarHBondContact O-N 3.17Å; D651-T653 VanDerWaalsContact C-N 3.28Å; D651-T653 PolarHBondContact O-N 2.97Å; T653-K657 HydrophobicContact CG2-CD 4.45Å; T653-K657 WeakPolarHBondContact O-CG 3.17Å; T653-K657 PolarHBondContact O-N 3.09Å; T653-K657 VanDerWaalsContact O-N 3.15Å; T653-A703 HydrophobicContact CG2-CB 3.81Å
654K98.4Very high97Very high125 Ų12546.1 Ų46.154%0.54323%0.228SC..Hα-helixtrans-63.8-51.6-178.7-179.5179.1178.2-179.80111.4L580 E650 D651 K657 M658L580-K654 HydrophobicContact CD1-CD 4.44Å; L580-K654 HydrophobicContact CD2-CD 4.06Å; L580-K654 HydrophobicContact CD2-CG 4.26Å; E650-K654 VanDerWaalsContact O-CB 3.26Å; E650-K654 WeakPolarHBondContact O-CB 3.41Å; E650-K654 PolarHBondContact O-N 3.28Å; D651-K654 PolarHBondContact O-N 3.15Å; K654-K657 PolarHBondContact O-N 3.2Å; K654-M658 HydrophobicContact CG-SD 4.04Å; K654-M658 VanDerWaalsContact O-CG 3.3Å; K654-M658 WeakPolarHBondContact O-CG 3.39Å; K654-M658 PolarHBondContact O-N 3.41Å
655L98.5Very high97.1Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-68.2-37.7-176-173.460.4000112F578 L580 A620 I643 C645 D651 M658 A659F578-L655 HydrophobicContact CD2-CD1 4Å; F578-L655 HydrophobicContact CE2-CD1 3.71Å; L580-L655 HydrophobicContact CD2-CB 4.19Å; L580-L655 HydrophobicContact CD2-CD1 4.09Å; L580-L655 HydrophobicContact CG-CB 4.3Å; L580-L655 HydrophobicContact CG-CD1 4.46Å; A620-L655 HydrophobicContact CB-CD1 4.12Å; I643-L655 HydrophobicContact CB-CD2 3.74Å; I643-L655 HydrophobicContact CB-CG 4.03Å; I643-L655 HydrophobicContact CD1-CG 4.37Å; I643-L655 HydrophobicContact CG2-CD2 4.09Å; I643-L655 HydrophobicContact CG2-CG 3.95Å; C645-L655 WeakPolarHBondContact SG-CD2 3.2Å; D651-L655 WeakPolarHBondContact O-CB 3.37Å; D651-L655 PolarHBondContact O-N 3.32Å; L655-M658 PolarHBondContact O-N 3.4Å; L655-A659 WeakPolarHBondContact O-CB 3.42Å; L655-A659 PolarHBondContact O-N 3.31Å
656A98.7Very high97.4Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-62.8-44.2175.500000111.8I643 W652 A659 E660 L667 V700 V704I643-A656 HydrophobicContact CD1-CB 4.04Å; W652-A656 WeakPolarHBondContact O-CB 3.48Å; W652-A656 PolarHBondContact O-N 3.16Å; A656-A659 PolarHBondContact O-N 3.29Å; A656-E660 PolarHBondContact O-N 3.34Å; A656-L667 HydrophobicContact CB-CD1 3.78Å; A656-V700 HydrophobicContact CB-CG1 4.15Å; A656-V700 HydrophobicContact CB-CG2 4.47Å; A656-V704 HydrophobicContact CB-CG1 3.71Å; A656-V704 WeakPolarHBondContact O-CG1 3.43Å
657K98.6Very high97.8Very high92 Ų9246.1 Ų46.140%0.423%0.226SC..Hα-helixtrans-62.5-45.9175.1-75.3-176.8175.5-1680112.5T653 K654 A659 E660 E661 A703T653-K657 HydrophobicContact CG2-CD 4.45Å; T653-K657 WeakPolarHBondContact O-CG 3.17Å; T653-K657 PolarHBondContact O-N 3.09Å; T653-K657 VanDerWaalsContact O-N 3.15Å; K654-K657 PolarHBondContact O-N 3.2Å; K657-A659 PolarHBondContact O-N 2.85Å; K657-E660 PolarHBondContact O-N 3Å; K657-E661 VanDerWaalsContact O-CB 3.32Å; K657-E661 WeakPolarHBondContact O-CB 3.43Å; K657-E661 VanDerWaalsContact O-CG 3.23Å; K657-E661 WeakPolarHBondContact O-CG 3.29Å; K657-E661 PolarHBondContact O-N 2.67Å; K657-A703 VanDerWaalsContact CE-O 3.26Å; K657-A703 WeakPolarHBondContact CE-O 3.45Å; K657-A703 HydrophobicContact CG-CB 4.42Å
658M98.6Very high98.1Very high54 Ų5442 Ų4227%0.26621%0.21SC..Hα-helixtrans-56-41.9175.6-71.51726300111.9L580 A620 K654 L655 S662L580-M658 HydrophobicContact CD2-SD 4Å; A620-M658 HydrophobicContact CB-CE 3.88Å; K654-M658 HydrophobicContact CG-SD 4.04Å; K654-M658 VanDerWaalsContact O-CG 3.3Å; K654-M658 WeakPolarHBondContact O-CG 3.39Å; K654-M658 PolarHBondContact O-N 3.41Å; L655-M658 PolarHBondContact O-N 3.4Å; M658-S662 PolarHBondContact O-N 3.12Å
659A98.6Very high98.3Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-71-39178.500000112.7F578 I643 L655 A656 K657 S662 A664 L667F578-A659 HydrophobicContact CZ-CB 4.36Å; I643-A659 HydrophobicContact CG2-CB 4.23Å; L655-A659 WeakPolarHBondContact O-CB 3.42Å; L655-A659 PolarHBondContact O-N 3.31Å; A656-A659 PolarHBondContact O-N 3.29Å; K657-A659 PolarHBondContact O-N 2.85Å; A659-S662 PolarHBondContact O-N 3.25Å; A659-S662 PolarHBondContact O-OG 2.83Å; A659-A664 WeakPolarHBondContact O-CB 3.39Å; A659-L667 HydrophobicContact CB-CD2 3.5Å
660E98.8Very high98.3Very high41 Ų4135 Ų3519%0.19218%0.178CC..Hα-helixtrans-65.1-46.4173.5179.2175.6-13200111.7A656 K657 S662 G663 V704 S705 I706A656-E660 PolarHBondContact O-N 3.34Å; K657-E660 PolarHBondContact O-N 3Å; E660-S662 PolarHBondContact O-N 2.93Å; E660-S662 VanDerWaalsContact O-N 3.15Å; E660-G663 PolarHBondContact O-N 2.86Å; E660-V704 HydrophobicContact CB-CB 4.38Å; E660-V704 HydrophobicContact CB-CG1 3.97Å; E660-V704 VanDerWaalsContact OE2-CA 3.27Å; E660-V704 WeakPolarHBondContact OE2-CA 3.4Å; E660-V704 VanDerWaalsContact OE2-CB 3.3Å; E660-V704 WeakPolarHBondContact OE2-CB 3.31Å; E660-V704 WeakPolarHBondContact OE2-CG1 3.23Å; E660-S705 WeakPolarHBondContact OE1-CA 3.48Å; E660-S705 PolarHBondContact OE1-N 3.2Å; E660-S705 PolarHBondContact OE1-OG 3.27Å; E660-I706 HydrophobicContact CB-CD1 3.81Å; E660-I706 HydrophobicContact CB-CG1 4.2Å; E660-I706 HydrophobicContact CG-CD1 3.92Å; E660-I706 HydrophobicContact CG-CG1 3.96Å; E660-I706 HydrophobicContact CG-CG2 4.07Å; E660-I706 PolarHBondContact OE1-N 3.4Å
661E98.6Very high97.9Very high153 Ų15329.3 Ų29.372%0.71515%0.151SC*.Hα-helixtrans-60.8-24.7178.5-73.2168-170.200112.7K657 G663K657-E661 VanDerWaalsContact O-CB 3.32Å; K657-E661 WeakPolarHBondContact O-CB 3.43Å; K657-E661 VanDerWaalsContact O-CG 3.23Å; K657-E661 WeakPolarHBondContact O-CG 3.29Å; K657-E661 PolarHBondContact O-N 2.67Å; E661-G663 PolarHBondContact O-N 3.23Å
662S98.4Very high96.6Very high12 Ų1228.6 Ų28.68%0.08415%0.147CC..THydrogen-bonded Turntrans-70.6-11173.178.20000114.5C624 V627 A628 M658 A659 E660C624-S662 VanDerWaalsContact O-CB 3.3Å; C624-S662 WeakPolarHBondContact O-CB 3.44Å; V627-S662 WeakPolarHBondContact CG1-OG 3.27Å; A628-S662 VanDerWaalsContact CA-O 3.26Å; A628-S662 WeakPolarHBondContact CA-O 3.34Å; A628-S662 WeakPolarHBondContact CB-O 3.41Å; A628-S662 PolarHBondContact N-O 3.14Å; M658-S662 PolarHBondContact O-N 3.12Å; A659-S662 PolarHBondContact O-N 3.25Å; A659-S662 PolarHBondContact O-OG 2.83Å; E660-S662 PolarHBondContact O-N 2.93Å; E660-S662 VanDerWaalsContact O-N 3.15Å
663G98.4Very high95.3Very high39 Ų3929 Ų2940%0.40215%0.15SC..THydrogen-bonded Turntrans90.416.2-177.900000114.5K631 E660 E661K631-G663 WeakPolarHBondContact CG-O 3.32Å; E660-G663 PolarHBondContact O-N 2.86Å; E661-G663 PolarHBondContact O-N 3.23Å
664A98.6Very high93.6Very high4 Ų428.3 Ų28.33%0.03315%0.146CC..  trans-56.8139.1173.900000111.2V627 S641 A659 A666 L667 I706V627-A664 HydrophobicContact CG1-CB 3.98Å; S641-A664 WeakPolarHBondContact OG-CB 3.33Å; A659-A664 WeakPolarHBondContact O-CB 3.39Å; A664-A666 VanDerWaalsContact C-N 3.31Å; A664-L667 HydrophobicContact CB-CD2 4.47Å; A664-I706 HydrophobicContact CB-CD1 4.43Å; A664-I706 WeakPolarHBondContact O-CD1 3.33Å
665D98.8Very high91.8Very high31 Ų3122.9 Ų22.917%0.16612%0.123CC..SBendtrans-72.5-29.7178.6-61-71.3000111.8L542 K631 I638 V639L542-D665 HydrophobicContact CD1-CB 4.47Å; L542-D665 HydrophobicContact CD2-CB 4.23Å; K631-D665 VanDerWaalsContact CD-OD2 3.27Å; K631-D665 WeakPolarHBondContact CD-OD2 3.32Å; K631-D665 WeakPolarHBondContact CE-OD1 3.39Å; K631-D665 WeakPolarHBondContact CE-OD2 3.47Å; K631-D665 IonicContact NZ-OD1 3.19Å; K631-D665 PolarHBondContact NZ-OD1 3.17Å; K631-D665 IonicContact NZ-OD2 2.77Å; K631-D665 PolarHBondContact NZ-OD2 3.34Å; I638-D665 VanDerWaalsContact CA-OD2 3.28Å; I638-D665 WeakPolarHBondContact CA-OD2 3.39Å; I638-D665 HydrophobicContact CD1-CB 4.39Å; I638-D665 HydrophobicContact CG2-CB 3.87Å; V639-D665 PolarHBondContact N-OD2 3.41Å; V639-D665 PolarHBondContact O-N 3.21Å
666A98.9Very high89.4Confident0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-157.1170.3176.800000111.6L542 I640 S641 A664 P707 F709L542-A666 HydrophobicContact CD1-CB 3.92Å; I640-A666 WeakPolarHBondContact CA-O 3.23Å; I640-A666 HydrophobicContact CG1-CB 4.3Å; I640-A666 HydrophobicContact CG2-CB 4.16Å; S641-A666 PolarHBondContact N-O 3.03Å; A664-A666 VanDerWaalsContact C-N 3.31Å; A666-P707 CarbonylContact C-O 3.51Å; A666-P707 WeakPolarHBondContact CA-O 3.48Å; A666-P707 HydrophobicContact CB-CB 4.29Å; A666-P707 VanDerWaalsContact CB-O 3.23Å; A666-P707 WeakPolarHBondContact CB-O 3.36Å; A666-F709 HydrophobicContact CB-CD2 4.3Å; A666-F709 HydrophobicContact CB-CE2 3.66Å
667L98.9Very high88Confident0 Ų024.3 Ų24.30%014%0.137CC..EExtended strand (participates in β ladder)trans-111.7148.2171.8-51-178.8000111.9S641 I643 A656 A659 A664 L669 V700 V704 I706 P707 F708 F709S641-L667 WeakPolarHBondContact O-CA 3.28Å; I643-L667 HydrophobicContact CD1-CD1 4.15Å; A656-L667 HydrophobicContact CB-CD1 3.78Å; A659-L667 HydrophobicContact CB-CD2 3.5Å; A664-L667 HydrophobicContact CB-CD2 4.47Å; L667-L669 HydrophobicContact CB-CD2 4.4Å; L667-V700 HydrophobicContact CD1-CG1 4.28Å; L667-V704 HydrophobicContact CD1-CG1 4.15Å; L667-V704 HydrophobicContact CD1-CG2 4.08Å; L667-I706 HydrophobicContact CD2-CD1 3.87Å; L667-I706 HydrophobicContact CG-CD1 3.83Å; L667-I706 HydrophobicContact CG-CG1 4.35Å; L667-P707 PolarHBondContact N-O 3.27Å; L667-F708 HydrophobicContact CB-CB 3.82Å; L667-F708 CarbonylContact O-C 3.1Å; L667-F708 VanDerWaalsContact O-CA 3.26Å; L667-F708 WeakPolarHBondContact O-CA 3.16Å; L667-F709 PolarHBondContact O-N 3.32Å
668E98.9Very high86.2Confident0 Ų021.5 Ų21.50%014%0.135CC..EExtended strand (participates in β ladder)trans-118.6115.3166.4-177177.885.600109.9L574 I640 S641 S642 I643 N670 F709 K711 T735 Q816L574-E668 HydrophobicContact CD2-CB 3.44Å; L574-E668 VanDerWaalsContact CD2-CB 3.44Å; L574-E668 VanDerWaalsContact CD2-CD 3.45Å; L574-E668 HydrophobicContact CD2-CG 4.03Å; L574-E668 WeakPolarHBondContact CD2-OE1 3.27Å; I640-E668 HydrophobicContact CG2-CB 3.88Å; S641-E668 PolarHBondContact O-N 2.95Å; S642-E668 CarbonylContact C-O 3.59Å; S642-E668 VanDerWaalsContact CA-O 3.29Å; S642-E668 WeakPolarHBondContact CA-O 3.46Å; I643-E668 PolarHBondContact N-O 3.01Å; E668-N670 PolarHBondContact O-N 2.81Å; E668-F709 CarbonylContact C-O 3.56Å; E668-F709 WeakPolarHBondContact CA-O 3.33Å; E668-K711 HydrophobicContact CG-CB 3.87Å; E668-K711 HydrophobicContact CG-CD 4.49Å; E668-K711 WeakPolarHBondContact OE1-CD 3.26Å; E668-K711 IonicContact OE1-NZ 3.12Å; E668-K711 PolarHBondContact OE1-NZ 2.86Å; E668-K711 IonicContact OE2-NZ 2.8Å; E668-T735 VanDerWaalsContact OE2-CB 3.23Å; E668-T735 WeakPolarHBondContact OE2-CB 3.49Å; E668-T735 VanDerWaalsContact OE2-CG2 3.32Å; E668-T735 WeakPolarHBondContact OE2-CG2 3.39Å; E668-T735 PolarHBondContact OE2-OG1 2.88Å; E668-Q816 PolarHBondContact OE2-NE2 3.31Å
669L98.4Very high84.6Confident0 Ų027.3 Ų27.30%016%0.161CC..EExtended strand (participates in β ladder)trans-83.2109.1-179.3-44.6-174.4000109I643 W652 L667 L671 I696 V700 F708 F709 K711I643-L669 HydrophobicContact CD1-CD2 4.05Å; I643-L669 HydrophobicContact CG1-CD2 4.01Å; W652-L669 HydrophobicContact CE3-CD2 4.3Å; W652-L669 HydrophobicContact CH2-CB 4.14Å; W652-L669 HydrophobicContact CZ3-CB 4.02Å; W652-L669 HydrophobicContact CZ3-CD2 3.76Å; W652-L669 HydrophobicContact CZ3-CG 4.32Å; L667-L669 HydrophobicContact CB-CD2 4.4Å; L669-L671 HydrophobicContact CB-CD2 4.36Å; L669-L671 HydrophobicContact CB-CG 4.29Å; L669-L671 PolarHBondContact O-N 3.39Å; L669-I696 HydrophobicContact CD1-CG2 4.18Å; L669-V700 HydrophobicContact CD1-CB 4.16Å; L669-V700 HydrophobicContact CD1-CG1 4.35Å; L669-V700 HydrophobicContact CD1-CG2 3.88Å; L669-V700 HydrophobicContact CD2-CG1 4.08Å; L669-V700 HydrophobicContact CD2-CG2 4.01Å; L669-F708 HydrophobicContact CD1-CD2 3.51Å; L669-F708 HydrophobicContact CD1-CE2 3.69Å; L669-F708 HydrophobicContact CD2-CD2 4.42Å; L669-F708 HydrophobicContact CG-CD2 3.9Å; L669-F709 PolarHBondContact N-O 3.48Å; L669-K711 WeakPolarHBondContact O-CB 3.35Å; L669-K711 PolarHBondContact O-N 2.75Å
670N94.7Very high82.7Confident11 Ų1133.9 Ų33.96%0.05919%0.186CC..EExtended strand (participates in β ladder)trans-80.293.4178.6-171.7-15.1000110.4T577 I643 M644 E668 S672 C673T577-N670 HydrophobicContact CG2-CB 3.69Å; T577-N670 PolarHBondContact OG1-ND2 3.25Å; I643-N670 PolarHBondContact O-N 3.16Å; M644-N670 HydrophobicContact CB-CB 4.32Å; M644-N670 WeakPolarHBondContact CG-O 3.41Å; E668-N670 PolarHBondContact O-N 2.81Å; N670-S672 PolarHBondContact OD1-N 3.4Å; N670-S672 VanDerWaalsContact OD1-N 3.12Å; N670-C673 PolarHBondContact OD1-N 3.3Å
671L89.5Confident81.1Confident2 Ų233.7 Ų33.71%0.0119%0.194CC..  trans-98.816.1177.3-51.6-177.6000112W652 L669 G683 G687 V693 I696 A710W652-L671 HydrophobicContact CH2-CD2 3.81Å; W652-L671 HydrophobicContact CZ2-CD2 3.72Å; L669-L671 HydrophobicContact CB-CD2 4.36Å; L669-L671 HydrophobicContact CB-CG 4.29Å; L669-L671 PolarHBondContact O-N 3.39Å; L671-G683 CarbonylContact C-O 3.48Å; L671-G683 VanDerWaalsContact C-O 3.29Å; L671-G683 CarbonylContact O-C 3.51Å; L671-G687 WeakPolarHBondContact O-CA 3.31Å; L671-G687 PolarHBondContact O-N 3.19Å; L671-G687 VanDerWaalsContact O-N 3.12Å; L671-V693 HydrophobicContact CD1-CB 4.31Å; L671-V693 HydrophobicContact CD1-CG1 4Å; L671-V693 HydrophobicContact CD1-CG2 3.92Å; L671-I696 HydrophobicContact CD2-CD1 3.75Å; L671-I696 HydrophobicContact CD2-CG2 4.12Å; L671-A710 HydrophobicContact CD1-CB 4.29Å
672S71.1Confident80Confident0 Ų026.9 Ų26.90%016%0.163CC..  trans-137.3-1.9-154.3-68.90000116.2N670 P674 K711 L712 T713 N738N670-S672 PolarHBondContact OD1-N 3.4Å; N670-S672 VanDerWaalsContact OD1-N 3.12Å; S672-P674 VanDerWaalsContact O-CD 3.29Å; S672-P674 WeakPolarHBondContact O-CD 3.43Å; S672-P674 VanDerWaalsContact O-N 3.14Å; S672-K711 WeakPolarHBondContact CB-O 3.39Å; S672-K711 PolarHBondContact OG-O 3Å; S672-L712 VanDerWaalsContact OG-CA 3.3Å; S672-L712 WeakPolarHBondContact OG-CA 3.45Å; S672-T713 WeakPolarHBondContact OG-CA 3.49Å; S672-T713 PolarHBondContact OG-N 3.24Å; S672-N738 VanDerWaalsContact CB-CB 3.47Å; S672-N738 WeakPolarHBondContact CB-ND2 3.36Å
673C69.5Low79Confident9 Ų926.5 Ų26.56%0.06116%0.16CC..  trans-58.7116.6177.1-167.80000110.5N670 H675 M677 L684N670-C673 PolarHBondContact OD1-N 3.3Å; C673-H675 VanDerWaalsContact C-N 3.35Å; C673-H675 PolarHBondContact O-N 3.42Å; C673-H675 PolarHBondContact SG-O 2.72Å; C673-M677 HydrophobicContact CB-CB 4.34Å; C673-M677 HydrophobicContact CB-CG 4.22Å; C673-L684 VanDerWaalsContact O-CB 3.24Å; C673-L684 WeakPolarHBondContact O-CB 3.25Å; C673-L684 PolarHBondContact O-N 2.96Å
674P61.9Low77.9Confident22 Ų2225.7 Ų25.714%0.14315%0.147CC..  trans-82-11.6-171.230.6-30.6000114S672 L684S672-P674 VanDerWaalsContact O-CD 3.29Å; S672-P674 WeakPolarHBondContact O-CD 3.43Å; S672-P674 VanDerWaalsContact O-N 3.14Å; P674-L684 HydrophobicContact CB-CD2 4.11Å
675H60.6Low76.7Confident10 Ų1027.6 Ų27.65%0.04616%0.163CC..SBendtrans-132.5145-171.451.9-89000112.7N611 I612 E613 C673 M677 Y764N611-H675 PolarHBondContact OD1-CE1 2.79Å; N611-H675 PolarHBondContact OD1-NE2 2.84Å; I612-H675 VanDerWaalsContact C-CD2 3.46Å; E613-H675 PolarHBondContact N-NE2 3.06Å; E613-H675 PolarHBondContact O-CD2 3.2Å; E613-H675 PolarHBondContact O-NE2 3.41Å; C673-H675 VanDerWaalsContact C-N 3.35Å; C673-H675 PolarHBondContact O-N 3.42Å; C673-H675 PolarHBondContact SG-O 2.72Å; H675-M677 PolarHBondContact O-N 3.22Å; H675-Y764 WeakPolarHBondContact CB-O 3.31Å
676G48.8Very low76Confident29 Ų2926.3 Ų26.330%0.29916%0.156SC..SBendtrans64.7-9.2175.100000117
677M69.4Low75.4Confident2 Ų226.3 Ų26.31%0.0116%0.156CC..SBendtrans-108.9-30.3-178.8-66.4-60.5174.600113.4V585 L614 I615 M644 C673 H675 E679 R680 G681 M682V585-M677 HydrophobicContact CB-CE 4.46Å; V585-M677 HydrophobicContact CG1-CE 3.5Å; V585-M677 VanDerWaalsContact CG1-CE 3.5Å; L614-M677 HydrophobicContact CB-CE 3.86Å; L614-M677 HydrophobicContact CD1-CE 4.47Å; L614-M677 HydrophobicContact CD2-CE 4.16Å; L614-M677 HydrophobicContact CG-CE 4.38Å; I615-M677 HydrophobicContact CB-CE 4.2Å; I615-M677 HydrophobicContact CD1-CE 3.97Å; I615-M677 HydrophobicContact CG1-CE 3.64Å; I615-M677 HydrophobicContact CG2-CE 3.95Å; M644-M677 HydrophobicContact CE-CB 4.24Å; M644-M677 HydrophobicContact CE-CE 3.89Å; M644-M677 HydrophobicContact CE-CG 3.64Å; M644-M677 HydrophobicContact CE-SD 3.4Å; M644-M677 WeakPolarHBondContact CE-SD 3.35Å; M644-M677 HydrophobicContact SD-CG 4.44Å; C673-M677 HydrophobicContact CB-CB 4.34Å; C673-M677 HydrophobicContact CB-CG 4.22Å; H675-M677 PolarHBondContact O-N 3.22Å; M677-E679 VanDerWaalsContact C-N 3.29Å; M677-E679 PolarHBondContact O-N 3.08Å; M677-R680 CarbonylContact O-C 3.59Å; M677-R680 WeakPolarHBondContact O-CA 3.25Å; M677-R680 PolarHBondContact O-N 2.76Å; M677-G681 PolarHBondContact O-N 3.03Å; M677-M682 CarbonylContact C-O 3.42Å; M677-M682 VanDerWaalsContact C-O 3.31Å; M677-M682 HydrophobicContact CB-CB 4.28Å; M677-M682 PolarHBondContact O-N 3.37Å
678G61.2Low75Confident33 Ų3330.8 Ų30.834%0.3418%0.177SC..G310 helixtrans-61.7-36.8178.300000112.9R680 G681 M682G678-R680 PolarHBondContact O-N 2.93Å; G678-R680 VanDerWaalsContact O-N 3.13Å; G678-G681 PolarHBondContact O-N 3.38Å; G678-M682 WeakPolarHBondContact CA-O 3.3Å; G678-M682 PolarHBondContact N-O 2.89Å
679E63.9Low74.7Confident175 Ų17533.9 Ų33.982%0.81819%0.194SC*.G310 helixtrans-61.8-19.5174.6-63.9173.8-174.400112.9M677M677-E679 VanDerWaalsContact C-N 3.29Å; M677-E679 PolarHBondContact O-N 3.08Å
680R58.6Low74.6Confident139 Ų13936 Ų3653%0.52521%0.207SC..G310 helixtrans-101.710.4176.3-59.2-175.6178.9-166.6-1.3112.7M677 G678 M682M677-R680 CarbonylContact O-C 3.59Å; M677-R680 WeakPolarHBondContact O-CA 3.25Å; M677-R680 PolarHBondContact O-N 2.76Å; G678-R680 PolarHBondContact O-N 2.93Å; G678-R680 VanDerWaalsContact O-N 3.13Å; R680-M682 VanDerWaalsContact C-N 3.28Å; R680-M682 HydrophobicContact CB-CG 4.19Å; R680-M682 WeakPolarHBondContact O-CG 3.27Å; R680-M682 PolarHBondContact O-N 3.41Å
681G66.1Low74.6Confident36 Ų3639 Ų3937%0.37123%0.226SC..THydrogen-bonded Turntrans69.121.2-176.600000114.3M677 G678 C686M677-G681 PolarHBondContact O-N 3.03Å; G678-G681 PolarHBondContact O-N 3.38Å; G681-C686 PolarHBondContact O-SG 3.2Å
682M75.6Confident74.9Confident11 Ų1140.7 Ų40.75%0.05424%0.235CC..  trans-117.1170.8-178.8-41.7-162.5179.300111.9D583 M644 S646 M677 G678 R680 L684 A685D583-M682 HydrophobicContact CB-CE 4.27Å; D583-M682 WeakPolarHBondContact OD1-CE 3.28Å; M644-M682 HydrophobicContact CE-CB 4.21Å; M644-M682 HydrophobicContact CE-SD 4.2Å; M644-M682 HydrophobicContact SD-CB 4.43Å; S646-M682 PolarHBondContact N-SD 2.92Å; S646-M682 VanDerWaalsContact N-SD 3.45Å; M677-M682 CarbonylContact C-O 3.42Å; M677-M682 VanDerWaalsContact C-O 3.31Å; M677-M682 HydrophobicContact CB-CB 4.28Å; M677-M682 PolarHBondContact O-N 3.37Å; G678-M682 WeakPolarHBondContact CA-O 3.3Å; G678-M682 PolarHBondContact N-O 2.89Å; R680-M682 VanDerWaalsContact C-N 3.28Å; R680-M682 HydrophobicContact CB-CG 4.19Å; R680-M682 WeakPolarHBondContact O-CG 3.27Å; R680-M682 PolarHBondContact O-N 3.41Å; M682-L684 PolarHBondContact O-N 2.92Å; M682-A685 PolarHBondContact O-N 2.97Å
683G76.4Confident76.1Confident3 Ų340.7 Ų40.73%0.03124%0.235CC..THydrogen-bonded Turntrans60.7-126.7175.900000111.4L671 A685 C686 G687L671-G683 CarbonylContact C-O 3.48Å; L671-G683 VanDerWaalsContact C-O 3.29Å; L671-G683 CarbonylContact O-C 3.51Å; G683-A685 PolarHBondContact O-N 3.43Å; G683-C686 WeakPolarHBondContact O-CB 3.44Å; G683-C686 PolarHBondContact O-N 3.16Å; G683-G687 PolarHBondContact O-N 3.06Å; G683-G687 VanDerWaalsContact O-N 3.15Å
684L75.9Confident77.5Confident23 Ų2342.8 Ų42.812%0.1224%0.241CC..Hα-helixtrans-51.6-33.4-176.5-175.671.9000113.9C673 P674 M682 C686 G687 Q688 T713 N715C673-L684 VanDerWaalsContact O-CB 3.24Å; C673-L684 WeakPolarHBondContact O-CB 3.25Å; C673-L684 PolarHBondContact O-N 2.96Å; P674-L684 HydrophobicContact CB-CD2 4.11Å; M682-L684 PolarHBondContact O-N 2.92Å; L684-C686 PolarHBondContact O-N 3.46Å; L684-G687 PolarHBondContact O-N 3.33Å; L684-Q688 HydrophobicContact CD1-CG 3.63Å; L684-Q688 HydrophobicContact CG-CG 3.94Å; L684-Q688 WeakPolarHBondContact O-CG 3.17Å; L684-Q688 PolarHBondContact O-N 3.09Å; L684-T713 HydrophobicContact CD1-CG2 3.54Å; L684-T713 WeakPolarHBondContact CD1-OG1 3.36Å; L684-N715 HydrophobicContact CD1-CB 4.12Å
685A73.5Confident79.2Confident44 Ų4443.5 Ų43.536%0.36424%0.244SC..Hα-helixtrans-59-30.9176.700000112.9M682 G683M682-A685 PolarHBondContact O-N 2.97Å; G683-A685 PolarHBondContact O-N 3.43Å
686C83.9Confident81Confident3 Ų343 Ų432%0.0224%0.242CC..Hα-helixtrans-87.9-44.9173.9-67.60000112G681 G683 L684 Q688 D689 L692 V693 I696G681-C686 PolarHBondContact O-SG 3.2Å; G683-C686 WeakPolarHBondContact O-CB 3.44Å; G683-C686 PolarHBondContact O-N 3.16Å; L684-C686 PolarHBondContact O-N 3.46Å; C686-Q688 PolarHBondContact O-N 3.34Å; C686-Q688 VanDerWaalsContact O-N 3.15Å; C686-D689 PolarHBondContact O-N 2.85Å; C686-D689 VanDerWaalsContact O-N 3.17Å; C686-L692 HydrophobicContact CB-CB 4.48Å; C686-V693 WeakPolarHBondContact O-CG2 3.09Å; C686-I696 HydrophobicContact CB-CD1 3.92Å
687G87Confident83.3Confident1 Ų141.7 Ų41.71%0.0123%0.228CC..Hα-helixtrans-71.4-6.4-171.600000116.5L671 G683 L684L671-G687 WeakPolarHBondContact O-CA 3.31Å; L671-G687 PolarHBondContact O-N 3.19Å; L671-G687 VanDerWaalsContact O-N 3.12Å; G683-G687 PolarHBondContact O-N 3.06Å; G683-G687 VanDerWaalsContact O-N 3.15Å; L684-G687 PolarHBondContact O-N 3.33Å
688Q90.8Very high84.7Confident93 Ų9347.7 Ų47.744%0.43525%0.251SS..THydrogen-bonded Turntrans-91-11.6174.1-66.4-179.9-46.400113.3L684 C686 T713 N715 V716L684-Q688 HydrophobicContact CD1-CG 3.63Å; L684-Q688 HydrophobicContact CG-CG 3.94Å; L684-Q688 WeakPolarHBondContact O-CG 3.17Å; L684-Q688 PolarHBondContact O-N 3.09Å; C686-Q688 PolarHBondContact O-N 3.34Å; C686-Q688 VanDerWaalsContact O-N 3.15Å; Q688-T713 HydrophobicContact CG-CG2 4.16Å; Q688-N715 PolarHBondContact NE2-O 3.2Å; Q688-V716 HydrophobicContact CB-CG1 4.06Å; Q688-V716 HydrophobicContact CG-CG1 3.75Å
689D92.8Very high86.5Confident66 Ų6648.3 Ų48.335%0.35324%0.242SC..  trans-112.4114.4-178.1-171.9-29.7000110.9C686 V691 L692 V693C686-D689 PolarHBondContact O-N 2.85Å; C686-D689 VanDerWaalsContact O-N 3.17Å; D689-V691 PolarHBondContact O-N 3.43Å; D689-V691 VanDerWaalsContact O-N 3.16Å; D689-V691 WeakPolarHBondContact OD1-CB 3.33Å; D689-V691 PolarHBondContact OD1-N 2.96Å; D689-L692 HydrophobicContact CB-CB 4.22Å; D689-L692 HydrophobicContact CB-CD1 3.91Å; D689-L692 HydrophobicContact CB-CG 3.83Å; D689-L692 PolarHBondContact O-N 2.82Å; D689-V693 WeakPolarHBondContact O-CG2 3.31Å; D689-V693 PolarHBondContact O-N 3.36Å; D689-V693 VanDerWaalsContact O-N 3.11Å
690P94.9Very high88.1Confident44 Ų4440 Ų4029%0.28620%0.204SC..Hα-helixtrans-52.4-34.7175.8-22.828.6000114.2R694 D721 I722 A725P690-R694 VanDerWaalsContact O-CB 3.3Å; P690-R694 WeakPolarHBondContact O-CB 3.46Å; P690-R694 PolarHBondContact O-N 3.25Å; P690-R694 PolarHBondContact O-NH1 3.4Å; P690-D721 HydrophobicContact CG-CB 4.46Å; P690-I722 HydrophobicContact CG-CD1 3.86Å; P690-A725 HydrophobicContact CB-CB 3.84Å; P690-A725 WeakPolarHBondContact O-CB 3.43Å
691V95Very high90.1Very high75 Ų7536.4 Ų36.446%0.45519%0.19SC..Hα-helixtrans-67.9-47.6-178.5179.30000110.7D689 R694 N695D689-V691 PolarHBondContact O-N 3.43Å; D689-V691 VanDerWaalsContact O-N 3.16Å; D689-V691 WeakPolarHBondContact OD1-CB 3.33Å; D689-V691 PolarHBondContact OD1-N 2.96Å; V691-R694 PolarHBondContact O-N 3.23Å; V691-N695 VanDerWaalsContact O-CG 3.29Å; V691-N695 PolarHBondContact O-N 2.89Å; V691-N695 PolarHBondContact O-ND2 3.36Å
692L95.3Very high91.6Very high37 Ų3739 Ų3919%0.19421%0.208CC..Hα-helixtrans-64.3-44.6-179.8-56.3-176.8000110.7Y647 C686 D689 R694 N695 I696Y647-L692 HydrophobicContact CD1-CD2 4.04Å; Y647-L692 HydrophobicContact CD2-CB 4.23Å; Y647-L692 HydrophobicContact CD2-CD2 3.96Å; Y647-L692 HydrophobicContact CE1-CD2 3.6Å; Y647-L692 HydrophobicContact CE2-CB 3.93Å; Y647-L692 HydrophobicContact CE2-CD2 3.52Å; Y647-L692 HydrophobicContact CE2-CG 4.3Å; Y647-L692 HydrophobicContact CG-CD2 4.2Å; C686-L692 HydrophobicContact CB-CB 4.48Å; D689-L692 HydrophobicContact CB-CB 4.22Å; D689-L692 HydrophobicContact CB-CD1 3.91Å; D689-L692 HydrophobicContact CB-CG 3.83Å; D689-L692 PolarHBondContact O-N 2.82Å; L692-R694 PolarHBondContact O-N 3.02Å; L692-N695 PolarHBondContact O-N 3.34Å; L692-I696 VanDerWaalsContact O-CG1 3.31Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 3.46Å
693V97.2Very high92.7Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-59.2-47.8177.5172.70000111.5L671 C686 D689 N695 I696 C697 I722 A725 A726L671-V693 HydrophobicContact CD1-CB 4.31Å; L671-V693 HydrophobicContact CD1-CG1 4Å; L671-V693 HydrophobicContact CD1-CG2 3.92Å; C686-V693 WeakPolarHBondContact O-CG2 3.09Å; D689-V693 WeakPolarHBondContact O-CG2 3.31Å; D689-V693 PolarHBondContact O-N 3.36Å; D689-V693 VanDerWaalsContact O-N 3.11Å; V693-N695 VanDerWaalsContact C-N 3.33Å; V693-N695 PolarHBondContact O-N 3.27Å; V693-I696 PolarHBondContact O-N 2.91Å; V693-C697 WeakPolarHBondContact O-CB 3.21Å; V693-C697 PolarHBondContact O-N 3.26Å; V693-C697 PolarHBondContact O-SG 3.23Å; V693-I722 HydrophobicContact CB-CG2 4.37Å; V693-I722 HydrophobicContact CG1-CG2 4.09Å; V693-I722 HydrophobicContact CG2-CG2 3.9Å; V693-A725 HydrophobicContact CB-CB 4.5Å; V693-A725 HydrophobicContact CG1-CB 4.43Å; V693-A726 HydrophobicContact CG1-CB 3.89Å
694R98.1Very high93.7Very high52 Ų5239.3 Ų39.320%0.19621%0.211CC..Hα-helixtrans-58.7-44.9177.4-172.1-173.8-63.7101.2-3.7111.6P690 V691 L692 C697 R698 A725 E728P690-R694 VanDerWaalsContact O-CB 3.3Å; P690-R694 WeakPolarHBondContact O-CB 3.46Å; P690-R694 PolarHBondContact O-N 3.25Å; P690-R694 PolarHBondContact O-NH1 3.4Å; V691-R694 PolarHBondContact O-N 3.23Å; L692-R694 PolarHBondContact O-N 3.02Å; R694-C697 PolarHBondContact O-N 2.87Å; R694-R698 WeakPolarHBondContact O-CG 3.41Å; R694-R698 PolarHBondContact O-N 3.07Å; R694-A725 WeakPolarHBondContact CA-O 3.12Å; R694-A725 HydrophobicContact CB-CB 4.15Å; R694-A725 WeakPolarHBondContact CB-O 3.26Å; R694-E728 HydrophobicContact CG-CB 4.42Å; R694-E728 IonicContact CZ-OE2 3.53Å; R694-E728 IonicContact NE-OE2 2.74Å; R694-E728 PolarHBondContact NE-OE2 2.67Å; R694-E728 IonicContact NH2-OE2 3.2Å; R694-E728 PolarHBondContact NH2-OE2 3Å
695N97.8Very high94.8Very high38 Ų3843.1 Ų43.120%0.20324%0.24CC..Hα-helixtrans-68.2-43.7-177.9-71.3-21.3000112.4Y647 V691 L692 V693 C697 R698 W699Y647-N695 HydrophobicContact CE2-CB 4.19Å; Y647-N695 WeakPolarHBondContact OH-CB 3.48Å; Y647-N695 PolarHBondContact OH-ND2 3.09Å; V691-N695 VanDerWaalsContact O-CG 3.29Å; V691-N695 PolarHBondContact O-N 2.89Å; V691-N695 PolarHBondContact O-ND2 3.36Å; L692-N695 PolarHBondContact O-N 3.34Å; V693-N695 VanDerWaalsContact C-N 3.33Å; V693-N695 PolarHBondContact O-N 3.27Å; N695-C697 VanDerWaalsContact C-N 3.33Å; N695-C697 PolarHBondContact O-N 3.06Å; N695-R698 WeakPolarHBondContact O-CB 3.34Å; N695-R698 PolarHBondContact O-N 3.03Å; N695-W699 HydrophobicContact CB-CZ2 4.07Å; N695-W699 VanDerWaalsContact O-CD1 3.32Å; N695-W699 VanDerWaalsContact O-CD2 3.31Å; N695-W699 PolarHBondContact O-N 3.34Å
696I98Very high96Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-59.1-46.9175.5-67.6166.5000110.3Y647 W652 L669 L671 C686 L692 V693 R698 W699 V700Y647-I696 HydrophobicContact CD2-CD1 4.03Å; Y647-I696 HydrophobicContact CD2-CG1 3.91Å; Y647-I696 HydrophobicContact CE2-CD1 4.49Å; Y647-I696 HydrophobicContact CE2-CG1 4.07Å; W652-I696 HydrophobicContact CD2-CG2 3.7Å; W652-I696 HydrophobicContact CE3-CG2 4.08Å; W652-I696 HydrophobicContact CG-CG2 4.14Å; W652-I696 HydrophobicContact CH2-CG2 4.28Å; W652-I696 HydrophobicContact CZ2-CD1 4.39Å; W652-I696 HydrophobicContact CZ2-CG2 3.93Å; W652-I696 HydrophobicContact CZ3-CG2 4.35Å; L669-I696 HydrophobicContact CD1-CG2 4.18Å; L671-I696 HydrophobicContact CD2-CD1 3.75Å; L671-I696 HydrophobicContact CD2-CG2 4.12Å; C686-I696 HydrophobicContact CB-CD1 3.92Å; L692-I696 VanDerWaalsContact O-CG1 3.31Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 3.46Å; V693-I696 PolarHBondContact O-N 2.91Å; I696-R698 VanDerWaalsContact C-N 3.31Å; I696-R698 PolarHBondContact O-N 3.46Å; I696-W699 HydrophobicContact CG1-CE3 4.16Å; I696-W699 HydrophobicContact CG1-CZ3 4.01Å; I696-W699 PolarHBondContact O-N 2.75Å; I696-W699 VanDerWaalsContact O-N 3.16Å; I696-V700 HydrophobicContact CG2-CG2 4.47Å; I696-V700 WeakPolarHBondContact O-CG2 3.47Å; I696-V700 PolarHBondContact O-N 3.21Å
697C98.5Very high96.7Very high0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-60.2-41.1177.4-650000111.5V693 R694 N695 W699 V700 R701 F708 G729V693-C697 WeakPolarHBondContact O-CB 3.21Å; V693-C697 PolarHBondContact O-N 3.26Å; V693-C697 PolarHBondContact O-SG 3.23Å; R694-C697 PolarHBondContact O-N 2.87Å; N695-C697 VanDerWaalsContact C-N 3.33Å; N695-C697 PolarHBondContact O-N 3.06Å; C697-W699 VanDerWaalsContact C-N 3.34Å; C697-W699 PolarHBondContact O-N 3.03Å; C697-V700 PolarHBondContact O-N 2.76Å; C697-R701 WeakPolarHBondContact O-CB 3.29Å; C697-R701 PolarHBondContact O-N 3.49Å; C697-F708 HydrophobicContact CB-CE2 3.91Å; C697-F708 HydrophobicContact CB-CZ 4.13Å; C697-F708 VanDerWaalsContact O-CZ 3.31Å; C697-F708 WeakPolarHBondContact O-CZ 3.35Å; C697-G729 CarbonylContact C-O 3.53Å
698R98.7Very high97.2Very high129 Ų12943.2 Ų43.249%0.48724%0.235SC..Hα-helixtrans-61.7-40.8175.5-75.3174.5176.7173.3-5.4112.6R694 N695 I696 A702 G729R694-R698 WeakPolarHBondContact O-CG 3.41Å; R694-R698 PolarHBondContact O-N 3.07Å; N695-R698 WeakPolarHBondContact O-CB 3.34Å; N695-R698 PolarHBondContact O-N 3.03Å; I696-R698 VanDerWaalsContact C-N 3.31Å; I696-R698 PolarHBondContact O-N 3.46Å; R698-A702 WeakPolarHBondContact O-CB 3.13Å; R698-A702 PolarHBondContact O-N 3.23Å; R698-A702 VanDerWaalsContact O-N 3.12Å; R698-G729 VanDerWaalsContact CA-O 3.27Å; R698-G729 WeakPolarHBondContact CA-O 3.32Å; R698-G729 PolarHBondContact N-O 3.18Å; R698-G729 VanDerWaalsContact N-O 3.07Å
699W98.5Very high97.6Very high45 Ų4538.9 Ų38.917%0.1721%0.214CC..Hα-helixtrans-65.7-46.3178.6-58.3-22.9000111.4Y647 K649 N695 I696 C697 A702 A703Y647-W699 HydrophobicContact CD1-CH2 4.32Å; Y647-W699 AromaticContact CD2-CH2 3.76Å; Y647-W699 HydrophobicContact CD2-CH2 3.76Å; Y647-W699 AromaticContact CD2-CZ3 3.83Å; Y647-W699 HydrophobicContact CD2-CZ3 3.83Å; Y647-W699 AromaticContact CE1-CH2 3.98Å; Y647-W699 HydrophobicContact CE1-CH2 3.98Å; Y647-W699 AromaticContact CE2-CH2 3.35Å; Y647-W699 HydrophobicContact CE2-CH2 3.35Å; Y647-W699 HydrophobicContact CE2-CZ2 4.2Å; Y647-W699 AromaticContact CE2-CZ3 3.76Å; Y647-W699 HydrophobicContact CE2-CZ3 3.76Å; Y647-W699 HydrophobicContact CG-CH2 4.23Å; Y647-W699 HydrophobicContact CG-CZ3 4.46Å; Y647-W699 AromaticContact CZ-CH2 3.49Å; Y647-W699 VanDerWaalsContact CZ-CH2 3.49Å; K649-W699 HydrophobicContact CB-CD2 3.75Å; K649-W699 HydrophobicContact CB-CE3 4.06Å; K649-W699 HydrophobicContact CB-CG 4.13Å; K649-W699 HydrophobicContact CB-CH2 4.39Å; K649-W699 HydrophobicContact CB-CZ2 4.12Å; K649-W699 HydrophobicContact CB-CZ3 4.37Å; K649-W699 HydrophobicContact CD-CG 4.22Å; K649-W699 HydrophobicContact CG-CB 4.19Å; K649-W699 HydrophobicContact CG-CD2 3.85Å; K649-W699 HydrophobicContact CG-CG 3.66Å; N695-W699 HydrophobicContact CB-CZ2 4.07Å; N695-W699 VanDerWaalsContact O-CD1 3.32Å; N695-W699 VanDerWaalsContact O-CD2 3.31Å; N695-W699 PolarHBondContact O-N 3.34Å; I696-W699 HydrophobicContact CG1-CE3 4.16Å; I696-W699 HydrophobicContact CG1-CZ3 4.01Å; I696-W699 PolarHBondContact O-N 2.75Å; I696-W699 VanDerWaalsContact O-N 3.16Å; C697-W699 VanDerWaalsContact C-N 3.34Å; C697-W699 PolarHBondContact O-N 3.03Å; W699-A702 PolarHBondContact O-N 2.97Å; W699-A703 WeakPolarHBondContact O-CB 3.18Å; W699-A703 PolarHBondContact O-N 3.3Å; W699-A703 VanDerWaalsContact O-N 3.16Å
700V98.6Very high97.9Very high0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-65.8-45.3178.11750000110.9W652 A656 L667 L669 I696 C697 A702 A703 V704 F708W652-V700 HydrophobicContact CB-CG2 4.3Å; W652-V700 HydrophobicContact CD2-CG2 4.45Å; W652-V700 HydrophobicContact CE3-CG2 3.87Å; A656-V700 HydrophobicContact CB-CG1 4.15Å; A656-V700 HydrophobicContact CB-CG2 4.47Å; L667-V700 HydrophobicContact CD1-CG1 4.28Å; L669-V700 HydrophobicContact CD1-CB 4.16Å; L669-V700 HydrophobicContact CD1-CG1 4.35Å; L669-V700 HydrophobicContact CD1-CG2 3.88Å; L669-V700 HydrophobicContact CD2-CG1 4.08Å; L669-V700 HydrophobicContact CD2-CG2 4.01Å; I696-V700 HydrophobicContact CG2-CG2 4.47Å; I696-V700 WeakPolarHBondContact O-CG2 3.47Å; I696-V700 PolarHBondContact O-N 3.21Å; C697-V700 PolarHBondContact O-N 2.76Å; V700-A702 PolarHBondContact O-N 3.46Å; V700-A703 WeakPolarHBondContact O-CA 3.25Å; V700-A703 WeakPolarHBondContact O-CB 3.13Å; V700-A703 PolarHBondContact O-N 3.01Å; V700-V704 HydrophobicContact CG1-CG2 3.99Å; V700-V704 WeakPolarHBondContact O-CG2 3.27Å; V700-V704 PolarHBondContact O-N 3.47Å; V700-F708 HydrophobicContact CB-CE2 4.4Å; V700-F708 HydrophobicContact CB-CZ 4.39Å; V700-F708 HydrophobicContact CG1-CB 4.38Å; V700-F708 HydrophobicContact CG1-CD1 3.91Å; V700-F708 HydrophobicContact CG1-CD2 4.1Å; V700-F708 HydrophobicContact CG1-CE1 4.18Å; V700-F708 HydrophobicContact CG1-CE2 4.34Å; V700-F708 HydrophobicContact CG1-CG 3.85Å; V700-F708 HydrophobicContact CG1-CZ 4.38Å
701R98.6Very high98.1Very high64 Ų6434 Ų3424%0.24219%0.186CC..Hα-helixtrans-58-38.5178.1-177.467.2-69156.82.5112.5C697 A703 V704 S705 I706 F708 G730 D732C697-R701 WeakPolarHBondContact O-CB 3.29Å; C697-R701 PolarHBondContact O-N 3.49Å; R701-A703 VanDerWaalsContact C-N 3.26Å; R701-A703 PolarHBondContact O-N 3.1Å; R701-V704 PolarHBondContact NH2-O 2.9Å; R701-V704 VanDerWaalsContact O-O 3.07Å; R701-S705 VanDerWaalsContact NH2-C 3.29Å; R701-S705 PolarHBondContact NH2-O 3.11Å; R701-I706 PolarHBondContact NH2-O 2.98Å; R701-F708 HydrophobicContact CB-CE1 3.62Å; R701-F708 HydrophobicContact CB-CZ 3.86Å; R701-F708 HydrophobicContact CG-CE1 4.31Å; R701-G730 WeakPolarHBondContact CD-O 3.18Å; R701-D732 IonicContact NH1-OD1 3.32Å; R701-D732 PolarHBondContact NH1-OD1 2.72Å; R701-D732 IonicContact NH1-OD2 3.5Å; R701-D732 PolarHBondContact NH1-OD2 3.13Å
702A98.4Very high98.2Very high90 Ų9030.6 Ų30.674%0.74416%0.164SC*.Hα-helixtrans-73.1-18.3176.100000113.3R698 W699 V700R698-A702 WeakPolarHBondContact O-CB 3.13Å; R698-A702 PolarHBondContact O-N 3.23Å; R698-A702 VanDerWaalsContact O-N 3.12Å; W699-A702 PolarHBondContact O-N 2.97Å; V700-A702 PolarHBondContact O-N 3.46Å
703A98.4Very high98.2Very high12 Ų1228.9 Ų28.910%0.09916%0.155CC..Hα-helixtrans-91.5-34.5-176.400000113.6T653 K657 W699 V700 R701T653-A703 HydrophobicContact CG2-CB 3.81Å; K657-A703 VanDerWaalsContact CE-O 3.26Å; K657-A703 WeakPolarHBondContact CE-O 3.45Å; K657-A703 HydrophobicContact CG-CB 4.42Å; W699-A703 WeakPolarHBondContact O-CB 3.18Å; W699-A703 PolarHBondContact O-N 3.3Å; W699-A703 VanDerWaalsContact O-N 3.16Å; V700-A703 WeakPolarHBondContact O-CA 3.25Å; V700-A703 WeakPolarHBondContact O-CB 3.13Å; V700-A703 PolarHBondContact O-N 3.01Å; R701-A703 VanDerWaalsContact C-N 3.26Å; R701-A703 PolarHBondContact O-N 3.1Å
704V98.6Very high98.2Very high10 Ų1030 Ų306%0.06116%0.163CC..  trans-127.6161.3-172.8-56.50000112.5A656 E660 L667 V700 R701 I706A656-V704 HydrophobicContact CB-CG1 3.71Å; A656-V704 WeakPolarHBondContact O-CG1 3.43Å; E660-V704 HydrophobicContact CB-CB 4.38Å; E660-V704 HydrophobicContact CB-CG1 3.97Å; E660-V704 VanDerWaalsContact OE2-CA 3.27Å; E660-V704 WeakPolarHBondContact OE2-CA 3.4Å; E660-V704 VanDerWaalsContact OE2-CB 3.3Å; E660-V704 WeakPolarHBondContact OE2-CB 3.31Å; E660-V704 WeakPolarHBondContact OE2-CG1 3.23Å; L667-V704 HydrophobicContact CD1-CG1 4.15Å; L667-V704 HydrophobicContact CD1-CG2 4.08Å; V700-V704 HydrophobicContact CG1-CG2 3.99Å; V700-V704 WeakPolarHBondContact O-CG2 3.27Å; V700-V704 PolarHBondContact O-N 3.47Å; R701-V704 PolarHBondContact NH2-O 2.9Å; R701-V704 VanDerWaalsContact O-O 3.07Å; V704-I706 HydrophobicContact CB-CG1 4.32Å; V704-I706 HydrophobicContact CG2-CG1 4.31Å
705S97.8Very high98.1Very high102 Ų10229.1 Ų29.171%0.71316%0.162SC*.SBendtrans-104.8-29.2176.366.60000113.5E660 R701E660-S705 WeakPolarHBondContact OE1-CA 3.48Å; E660-S705 PolarHBondContact OE1-N 3.2Å; E660-S705 PolarHBondContact OE1-OG 3.27Å; R701-S705 VanDerWaalsContact NH2-C 3.29Å; R701-S705 PolarHBondContact NH2-O 3.11Å
706I98.6Very high97.9Very high30 Ų3028.8 Ų28.815%0.15416%0.161CC..SBendtrans-62.7156.7175.460.1173.5000112.3E660 A664 L667 R701 V704E660-I706 HydrophobicContact CB-CD1 3.81Å; E660-I706 HydrophobicContact CB-CG1 4.2Å; E660-I706 HydrophobicContact CG-CD1 3.92Å; E660-I706 HydrophobicContact CG-CG1 3.96Å; E660-I706 HydrophobicContact CG-CG2 4.07Å; E660-I706 PolarHBondContact OE1-N 3.4Å; A664-I706 HydrophobicContact CB-CD1 4.43Å; A664-I706 WeakPolarHBondContact O-CD1 3.33Å; L667-I706 HydrophobicContact CD2-CD1 3.87Å; L667-I706 HydrophobicContact CG-CD1 3.83Å; L667-I706 HydrophobicContact CG-CG1 4.35Å; R701-I706 PolarHBondContact NH2-O 2.98Å; V704-I706 HydrophobicContact CB-CG1 4.32Å; V704-I706 HydrophobicContact CG2-CG1 4.31Å
707P98.8Very high97.7Very high21 Ų2136.1 Ų36.114%0.13621%0.206CC..  trans-60147.2175-24.934.8000112.8C540 L542 A666 L667 F709 D732C540-P707 HydrophobicContact CB-CB 4.09Å; C540-P707 HydrophobicContact CB-CG 4.11Å; L542-P707 HydrophobicContact CD1-CG 4.28Å; L542-P707 HydrophobicContact CG-CG 4.33Å; A666-P707 CarbonylContact C-O 3.51Å; A666-P707 WeakPolarHBondContact CA-O 3.48Å; A666-P707 HydrophobicContact CB-CB 4.29Å; A666-P707 VanDerWaalsContact CB-O 3.23Å; A666-P707 WeakPolarHBondContact CB-O 3.36Å; L667-P707 PolarHBondContact N-O 3.27Å; P707-F709 HydrophobicContact CB-CZ 4.32Å; P707-D732 WeakPolarHBondContact CA-OD2 3.24Å; P707-D732 HydrophobicContact CB-CB 4.15Å
708F98.9Very high97.6Very high0 Ų039.3 Ų39.30%022%0.223CC..EExtended strand (participates in β ladder)trans-139.6149.7169.273.7-87.2000113.9L667 L669 C697 V700 R701 G730 A731 D732L667-F708 HydrophobicContact CB-CB 3.82Å; L667-F708 CarbonylContact O-C 3.1Å; L667-F708 VanDerWaalsContact O-CA 3.26Å; L667-F708 WeakPolarHBondContact O-CA 3.16Å; L669-F708 HydrophobicContact CD1-CD2 3.51Å; L669-F708 HydrophobicContact CD1-CE2 3.69Å; L669-F708 HydrophobicContact CD2-CD2 4.42Å; L669-F708 HydrophobicContact CG-CD2 3.9Å; C697-F708 HydrophobicContact CB-CE2 3.91Å; C697-F708 HydrophobicContact CB-CZ 4.13Å; C697-F708 VanDerWaalsContact O-CZ 3.31Å; C697-F708 WeakPolarHBondContact O-CZ 3.35Å; V700-F708 HydrophobicContact CB-CE2 4.4Å; V700-F708 HydrophobicContact CB-CZ 4.39Å; V700-F708 HydrophobicContact CG1-CB 4.38Å; V700-F708 HydrophobicContact CG1-CD1 3.91Å; V700-F708 HydrophobicContact CG1-CD2 4.1Å; V700-F708 HydrophobicContact CG1-CE1 4.18Å; V700-F708 HydrophobicContact CG1-CE2 4.34Å; V700-F708 HydrophobicContact CG1-CG 3.85Å; V700-F708 HydrophobicContact CG1-CZ 4.38Å; R701-F708 HydrophobicContact CB-CE1 3.62Å; R701-F708 HydrophobicContact CB-CZ 3.86Å; R701-F708 HydrophobicContact CG-CE1 4.31Å; F708-G730 WeakPolarHBondContact CE1-O 3.48Å; F708-G730 WeakPolarHBondContact CZ-O 3.39Å; F708-A731 HydrophobicContact CD2-CB 4.18Å; F708-A731 VanDerWaalsContact CE2-CA 3.49Å; F708-A731 HydrophobicContact CE2-CB 3.62Å; F708-A731 VanDerWaalsContact CZ-CA 3.47Å; F708-A731 HydrophobicContact CZ-CB 4.12Å; F708-D732 PolarHBondContact N-OD2 3.35Å; F708-D732 PolarHBondContact O-N 3.34Å
709F98.8Very high97.6Very high1 Ų134 Ų340%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-121.9129-174.9-48.8-70.1000110.8I640 A666 L667 E668 L669 P707 D732 G733 L793I640-F709 HydrophobicContact CD1-CE2 4.29Å; A666-F709 HydrophobicContact CB-CD2 4.3Å; A666-F709 HydrophobicContact CB-CE2 3.66Å; L667-F709 PolarHBondContact O-N 3.32Å; E668-F709 CarbonylContact C-O 3.56Å; E668-F709 WeakPolarHBondContact CA-O 3.33Å; L669-F709 PolarHBondContact N-O 3.48Å; P707-F709 HydrophobicContact CB-CZ 4.32Å; F709-D732 HydrophobicContact CE1-CB 4.44Å; F709-G733 WeakPolarHBondContact CA-O 3.38Å; F709-L793 HydrophobicContact CB-CD1 4.17Å; F709-L793 HydrophobicContact CD1-CD1 3.43Å; F709-L793 VanDerWaalsContact CD1-CD1 3.43Å; F709-L793 HydrophobicContact CD2-CD1 4.02Å; F709-L793 HydrophobicContact CD2-CD2 4.09Å; F709-L793 HydrophobicContact CE1-CD1 3.72Å; F709-L793 HydrophobicContact CE2-CD1 4.27Å; F709-L793 HydrophobicContact CE2-CD2 4.29Å; F709-L793 HydrophobicContact CG-CD1 3.58Å; F709-L793 HydrophobicContact CG-CD2 4.41Å; F709-L793 HydrophobicContact CZ-CD1 4.13Å
710A98.5Very high97.6Very high0 Ų032.6 Ų32.60%020%0.201CC..EExtended strand (participates in β ladder)trans-82.4119.3172.300000110L671 L712 A726 G733 V734 T735L671-A710 HydrophobicContact CD1-CB 4.29Å; A710-L712 HydrophobicContact CB-CD2 4.12Å; A710-L712 PolarHBondContact O-N 3.15Å; A710-A726 HydrophobicContact CB-CB 3.76Å; A710-G733 PolarHBondContact N-O 3.42Å; A710-V734 HydrophobicContact CB-CG1 4.35Å; A710-V734 WeakPolarHBondContact O-CA 3.14Å; A710-V734 WeakPolarHBondContact O-CB 3.39Å; A710-T735 PolarHBondContact O-N 3.09Å
711K98.6Very high97.5Very high9 Ų936.1 Ų36.14%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-81.7118.5175-172.3174.3-141.1138.90109.8E668 L669 S672 T735 Q816E668-K711 HydrophobicContact CG-CB 3.87Å; E668-K711 HydrophobicContact CG-CD 4.49Å; E668-K711 WeakPolarHBondContact OE1-CD 3.26Å; E668-K711 IonicContact OE1-NZ 3.12Å; E668-K711 PolarHBondContact OE1-NZ 2.86Å; E668-K711 IonicContact OE2-NZ 2.8Å; L669-K711 WeakPolarHBondContact O-CB 3.35Å; L669-K711 PolarHBondContact O-N 2.75Å; S672-K711 WeakPolarHBondContact CB-O 3.39Å; S672-K711 PolarHBondContact OG-O 3Å; K711-T735 HydrophobicContact CD-CG2 4.33Å; K711-T735 HydrophobicContact CG-CG2 3.91Å; K711-Q816 VanDerWaalsContact NZ-OE1 3.16Å
712L97.7Very high97.5Very high2 Ų233.3 Ų33.31%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-96.5147.9-170.8-50.5-171.1000112.7S672 A710 I719 I722 A723 V734 T735 T737 N738 I783S672-L712 VanDerWaalsContact OG-CA 3.3Å; S672-L712 WeakPolarHBondContact OG-CA 3.45Å; A710-L712 HydrophobicContact CB-CD2 4.12Å; A710-L712 PolarHBondContact O-N 3.15Å; L712-I719 HydrophobicContact CB-CD1 3.97Å; L712-I719 HydrophobicContact CB-CG1 4.19Å; L712-I719 HydrophobicContact CD1-CD1 4.33Å; L712-I719 HydrophobicContact CD1-CG1 3.99Å; L712-I722 HydrophobicContact CD2-CG2 3.78Å; L712-A723 HydrophobicContact CD1-CB 3.82Å; L712-V734 HydrophobicContact CD1-CB 3.99Å; L712-V734 HydrophobicContact CD1-CG1 3.99Å; L712-V734 HydrophobicContact CD1-CG2 4.27Å; L712-V734 HydrophobicContact CD2-CG1 4.14Å; L712-V734 HydrophobicContact CG-CB 4.08Å; L712-V734 HydrophobicContact CG-CG1 4.16Å; L712-T735 PolarHBondContact N-O 3.43Å; L712-T737 CarbonylContact O-C 3.58Å; L712-T737 WeakPolarHBondContact O-CA 3.28Å; L712-N738 PolarHBondContact O-N 2.75Å; L712-I783 HydrophobicContact CD1-CD1 3.9Å
713T95.7Very high97.5Very high1 Ų129 Ų291%0.00617%0.174CC..PPolyproline II helixtrans-90.6136.4177.1174.80000108.8S672 L684 Q688 N715 V716S672-T713 WeakPolarHBondContact OG-CA 3.49Å; S672-T713 PolarHBondContact OG-N 3.24Å; L684-T713 HydrophobicContact CD1-CG2 3.54Å; L684-T713 WeakPolarHBondContact CD1-OG1 3.36Å; Q688-T713 HydrophobicContact CG-CG2 4.16Å; T713-N715 PolarHBondContact O-N 3.48Å; T713-N715 WeakPolarHBondContact OG1-CB 3.29Å; T713-N715 PolarHBondContact OG1-N 3.45Å; T713-N715 VanDerWaalsContact OG1-N 3.12Å; T713-N715 PolarHBondContact OG1-ND2 2.91Å; T713-V716 HydrophobicContact CG2-CG1 3.8Å; T713-V716 WeakPolarHBondContact O-CG2 3.48Å
714P96.4Very high97.5Very high23 Ų2332.6 Ų32.615%0.14919%0.187CC..SBendtrans-76-7171.233.3-34.5000112.1V716 T737 N738 T739 V740 I775P714-V716 PolarHBondContact O-N 3.38Å; P714-T737 HydrophobicContact CB-CG2 4.29Å; P714-N738 VanDerWaalsContact CD-O 3.24Å; P714-N738 WeakPolarHBondContact CD-O 3.22Å; P714-N738 VanDerWaalsContact CG-O 3.31Å; P714-N738 WeakPolarHBondContact CG-O 3.49Å; P714-T739 WeakPolarHBondContact CG-O 3.26Å; P714-V740 HydrophobicContact CB-CG2 4.33Å; P714-V740 HydrophobicContact CG-CG2 3.78Å; P714-I775 HydrophobicContact CB-CG2 3.84Å
715N95.5Very high97.5Very high35 Ų3532.2 Ų32.219%0.18719%0.185CC..  trans-85.949.6-175.3-49.3-69.3000111.3L684 Q688 T713 T739 S741L684-N715 HydrophobicContact CD1-CB 4.12Å; Q688-N715 PolarHBondContact NE2-O 3.2Å; T713-N715 PolarHBondContact O-N 3.48Å; T713-N715 WeakPolarHBondContact OG1-CB 3.29Å; T713-N715 PolarHBondContact OG1-N 3.45Å; T713-N715 VanDerWaalsContact OG1-N 3.12Å; T713-N715 PolarHBondContact OG1-ND2 2.91Å; N715-T739 PolarHBondContact ND2-O 3.36Å; N715-S741 PolarHBondContact OD1-N 3.35Å
716V94.1Very high97.6Very high30 Ų3027.3 Ų27.318%0.18215%0.151CC..SBendtrans-136.1152.8179.4-69.70000109.7Q688 T713 P714 I719 I722Q688-V716 HydrophobicContact CB-CG1 4.06Å; Q688-V716 HydrophobicContact CG-CG1 3.75Å; T713-V716 HydrophobicContact CG2-CG1 3.8Å; T713-V716 WeakPolarHBondContact O-CG2 3.48Å; P714-V716 PolarHBondContact O-N 3.38Å; V716-I719 HydrophobicContact CG2-CB 3.81Å; V716-I719 HydrophobicContact CG2-CG1 4.09Å; V716-I722 HydrophobicContact CG1-CG1 4.26Å; V716-I722 HydrophobicContact CG2-CG1 4.36Å
717T94.3Very high97.6Very high154 Ų15430.1 Ų30.195%0.94516%0.163SC*.SBendtrans-62.2-46.8176.8-52.30000111.6
718N96.5Very high97.5Very high67 Ų6734.1 Ų34.136%0.35818%0.18SC..  trans-135.2102.4179.7-174.610.6000111.2V720 D721N718-V720 PolarHBondContact O-N 2.99Å; N718-V720 WeakPolarHBondContact OD1-CB 3.44Å; N718-V720 PolarHBondContact OD1-N 3.18Å; N718-V720 VanDerWaalsContact OD1-N 3.14Å; N718-D721 WeakPolarHBondContact CB-OD2 3.23Å; N718-D721 PolarHBondContact ND2-OD1 3.1Å; N718-D721 VanDerWaalsContact ND2-OD1 3.08Å; N718-D721 PolarHBondContact ND2-OD2 2.71Å; N718-D721 PolarHBondContact O-N 3.5Å
719I97.9Very high97.5Very high18 Ų1834.3 Ų34.39%0.09218%0.182CC..Hα-helixtrans-68-22.4-179.7-159171.5000113L712 V716 D721 I722 A723 T737 A779 I783L712-I719 HydrophobicContact CB-CD1 3.97Å; L712-I719 HydrophobicContact CB-CG1 4.19Å; L712-I719 HydrophobicContact CD1-CD1 4.33Å; L712-I719 HydrophobicContact CD1-CG1 3.99Å; V716-I719 HydrophobicContact CG2-CB 3.81Å; V716-I719 HydrophobicContact CG2-CG1 4.09Å; I719-D721 VanDerWaalsContact C-N 3.31Å; I719-D721 PolarHBondContact O-N 3.44Å; I719-I722 PolarHBondContact O-N 2.97Å; I719-A723 PolarHBondContact O-N 2.85Å; I719-T737 HydrophobicContact CD1-CG2 3.43Å; I719-T737 VanDerWaalsContact CD1-CG2 3.43Å; I719-A779 HydrophobicContact CD1-CB 3.93Å; I719-A779 HydrophobicContact CG2-CB 4.16Å; I719-I783 HydrophobicContact CD1-CD1 4.44Å; I719-I783 HydrophobicContact CG1-CD1 4.42Å; I719-I783 HydrophobicContact CG2-CD1 4.33Å; I719-I783 HydrophobicContact CG2-CG1 4.32Å
720V98.4Very high97.5Very high16 Ų1635.6 Ų35.610%0.09720%0.196CC..Hα-helixtrans-64.8-37.1178.4174.60000111N718 I722 A723 K724 A782 A786N718-V720 PolarHBondContact O-N 2.99Å; N718-V720 WeakPolarHBondContact OD1-CB 3.44Å; N718-V720 PolarHBondContact OD1-N 3.18Å; N718-V720 VanDerWaalsContact OD1-N 3.14Å; V720-I722 VanDerWaalsContact C-N 3.3Å; V720-I722 PolarHBondContact O-N 3.06Å; V720-A723 PolarHBondContact O-N 3.37Å; V720-K724 HydrophobicContact CG1-CD 4.22Å; V720-K724 HydrophobicContact CG1-CG 4.35Å; V720-K724 WeakPolarHBondContact O-CB 3.35Å; V720-K724 WeakPolarHBondContact O-CG 3.49Å; V720-K724 PolarHBondContact O-N 2.79Å; V720-A782 HydrophobicContact CG2-CB 3.92Å; V720-A786 HydrophobicContact CB-CB 4.45Å; V720-A786 HydrophobicContact CG1-CB 3.34Å; V720-A786 HydrophobicContact CG2-CB 4.24Å
721D98.1Very high97.5Very high73 Ų7335.9 Ų35.939%0.3920%0.197SC..Hα-helixtrans-66.4-36.6179.3-62-25.9000111.2P690 N718 I719 A725P690-D721 HydrophobicContact CG-CB 4.46Å; N718-D721 WeakPolarHBondContact CB-OD2 3.23Å; N718-D721 PolarHBondContact ND2-OD1 3.1Å; N718-D721 VanDerWaalsContact ND2-OD1 3.08Å; N718-D721 PolarHBondContact ND2-OD2 2.71Å; N718-D721 PolarHBondContact O-N 3.5Å; I719-D721 VanDerWaalsContact C-N 3.31Å; I719-D721 PolarHBondContact O-N 3.44Å; D721-A725 WeakPolarHBondContact O-CB 3.34Å; D721-A725 PolarHBondContact O-N 3.35Å
722I98.2Very high97.5Very high5 Ų537.8 Ų37.83%0.02621%0.208CC..Hα-helixtrans-67.2-44.6173.7-50.8-53.5000111P690 V693 L712 V716 I719 V720 K724 A725 A726P690-I722 HydrophobicContact CG-CD1 3.86Å; V693-I722 HydrophobicContact CB-CG2 4.37Å; V693-I722 HydrophobicContact CG1-CG2 4.09Å; V693-I722 HydrophobicContact CG2-CG2 3.9Å; L712-I722 HydrophobicContact CD2-CG2 3.78Å; V716-I722 HydrophobicContact CG1-CG1 4.26Å; V716-I722 HydrophobicContact CG2-CG1 4.36Å; I719-I722 PolarHBondContact O-N 2.97Å; V720-I722 VanDerWaalsContact C-N 3.3Å; V720-I722 PolarHBondContact O-N 3.06Å; I722-K724 PolarHBondContact O-N 2.87Å; I722-A725 WeakPolarHBondContact O-CB 3.24Å; I722-A725 PolarHBondContact O-N 2.93Å; I722-A726 PolarHBondContact O-N 3.37Å
723A98.4Very high97.6Very high0 Ų037.7 Ų37.70%021%0.208CC..Hα-helixtrans-62.6-41.6177.900000112L712 I719 V720 A726 H727 I783 I787L712-A723 HydrophobicContact CD1-CB 3.82Å; I719-A723 PolarHBondContact O-N 2.85Å; V720-A723 PolarHBondContact O-N 3.37Å; A723-A726 PolarHBondContact O-N 3.39Å; A723-H727 WeakPolarHBondContact O-CB 3.43Å; A723-H727 PolarHBondContact O-N 3.39Å; A723-I783 HydrophobicContact CB-CD1 4.1Å; A723-I783 HydrophobicContact CB-CG1 3.87Å; A723-I783 HydrophobicContact CB-CG2 4.01Å; A723-I787 HydrophobicContact CB-CD1 4.17Å
724K98.6Very high97.7Very high88 Ų8837.7 Ų37.738%0.38321%0.208SC..Hα-helixtrans-61.5-44.5173.7-75.5178.4177.1178.60111.5V720 I722 A726 H727 E728 I787V720-K724 HydrophobicContact CG1-CD 4.22Å; V720-K724 HydrophobicContact CG1-CG 4.35Å; V720-K724 WeakPolarHBondContact O-CB 3.35Å; V720-K724 WeakPolarHBondContact O-CG 3.49Å; V720-K724 PolarHBondContact O-N 2.79Å; I722-K724 PolarHBondContact O-N 2.87Å; K724-A726 VanDerWaalsContact C-N 3.34Å; K724-A726 PolarHBondContact O-N 3.03Å; K724-H727 PolarHBondContact O-N 3.25Å; K724-E728 WeakPolarHBondContact O-CB 3.34Å; K724-E728 VanDerWaalsContact O-CG 3.26Å; K724-E728 WeakPolarHBondContact O-CG 3.5Å; K724-E728 PolarHBondContact O-N 3.3Å; K724-I787 HydrophobicContact CB-CD1 4.38Å; K724-I787 HydrophobicContact CG-CD1 3.73Å; K724-I787 HydrophobicContact CG-CG1 4.1Å
725A98.3Very high97.8Very high1 Ų136.6 Ų36.61%0.00820%0.2CC..Hα-helixtrans-61-40.8175.700000113P690 V693 R694 D721 I722 G729P690-A725 HydrophobicContact CB-CB 3.84Å; P690-A725 WeakPolarHBondContact O-CB 3.43Å; V693-A725 HydrophobicContact CB-CB 4.5Å; V693-A725 HydrophobicContact CG1-CB 4.43Å; R694-A725 WeakPolarHBondContact CA-O 3.12Å; R694-A725 HydrophobicContact CB-CB 4.15Å; R694-A725 WeakPolarHBondContact CB-O 3.26Å; D721-A725 WeakPolarHBondContact O-CB 3.34Å; D721-A725 PolarHBondContact O-N 3.35Å; I722-A725 WeakPolarHBondContact O-CB 3.24Å; I722-A725 PolarHBondContact O-N 2.93Å; A725-G729 PolarHBondContact O-N 2.9Å
726A98.6Very high98Very high0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-62.7-46174.200000111.4V693 A710 I722 A723 K724 G729 G730 A731 V734V693-A726 HydrophobicContact CG1-CB 3.89Å; A710-A726 HydrophobicContact CB-CB 3.76Å; I722-A726 PolarHBondContact O-N 3.37Å; A723-A726 PolarHBondContact O-N 3.39Å; K724-A726 VanDerWaalsContact C-N 3.34Å; K724-A726 PolarHBondContact O-N 3.03Å; A726-G729 CarbonylContact O-C 3.29Å; A726-G729 WeakPolarHBondContact O-CA 3.43Å; A726-G729 PolarHBondContact O-N 3.37Å; A726-G729 VanDerWaalsContact O-N 3.12Å; A726-G730 PolarHBondContact O-N 2.9Å; A726-A731 HydrophobicContact CB-CB 4.16Å; A726-A731 VanDerWaalsContact O-CB 3.28Å; A726-A731 WeakPolarHBondContact O-CB 3.34Å; A726-A731 PolarHBondContact O-N 2.82Å; A726-V734 HydrophobicContact CB-CG1 4Å
727H98.5Very high98.1Very high89 Ų8933.6 Ų33.641%0.41218%0.184SC..Hα-helixtrans-60.4-49.7177-174.461.2000112.3A723 K724 G729 G730 I787 F790A723-H727 WeakPolarHBondContact O-CB 3.43Å; A723-H727 PolarHBondContact O-N 3.39Å; K724-H727 PolarHBondContact O-N 3.25Å; H727-G729 PolarHBondContact O-N 2.87Å; H727-G730 PolarHBondContact O-N 2.65Å; H727-I787 HydrophobicContact CB-CD1 4.37Å; H727-F790 HydrophobicContact CB-CE1 4.01Å; H727-F790 HydrophobicContact CB-CE2 4.03Å; H727-F790 HydrophobicContact CB-CZ 3.74Å; H727-F790 AromaticContact CE1-CD2 3.94Å; H727-F790 AromaticContact CG-CE2 3.95Å; H727-F790 AromaticContact ND1-CD2 3.29Å; H727-F790 VanDerWaalsContact ND1-CD2 3.29Å; H727-F790 WeakPolarHBondContact ND1-CD2 3.45Å; H727-F790 AromaticContact ND1-CE2 3.21Å; H727-F790 WeakPolarHBondContact ND1-CE2 3.33Å; H727-F790 AromaticContact ND1-CZ 3.87Å
728E98.5Very high98.2Very high105 Ų10527.5 Ų27.549%0.49115%0.145SC..Hα-helixtrans-61.7-23.6174.1-71.4168-167.800113.3R694 K724 G730R694-E728 HydrophobicContact CG-CB 4.42Å; R694-E728 IonicContact CZ-OE2 3.53Å; R694-E728 IonicContact NE-OE2 2.74Å; R694-E728 PolarHBondContact NE-OE2 2.67Å; R694-E728 IonicContact NH2-OE2 3.2Å; R694-E728 PolarHBondContact NH2-OE2 3Å; K724-E728 WeakPolarHBondContact O-CB 3.34Å; K724-E728 VanDerWaalsContact O-CG 3.26Å; K724-E728 WeakPolarHBondContact O-CG 3.5Å; K724-E728 PolarHBondContact O-N 3.3Å; E728-G730 VanDerWaalsContact C-N 3.27Å
729G98.2Very high98.3Very high4 Ų425.1 Ų25.14%0.04113%0.133CC..THydrogen-bonded Turntrans-80.9-7174.500000113.8C697 R698 A725 A726 H727C697-G729 CarbonylContact C-O 3.53Å; R698-G729 VanDerWaalsContact CA-O 3.27Å; R698-G729 WeakPolarHBondContact CA-O 3.32Å; R698-G729 PolarHBondContact N-O 3.18Å; R698-G729 VanDerWaalsContact N-O 3.07Å; A725-G729 PolarHBondContact O-N 2.9Å; A726-G729 CarbonylContact O-C 3.29Å; A726-G729 WeakPolarHBondContact O-CA 3.43Å; A726-G729 PolarHBondContact O-N 3.37Å; A726-G729 VanDerWaalsContact O-N 3.12Å; H727-G729 PolarHBondContact O-N 2.87Å
730G98.4Very high98.3Very high28 Ų2825.7 Ų25.729%0.28914%0.137SC..THydrogen-bonded Turntrans92.516.2179.600000114.6R701 F708 A726 H727 E728R701-G730 WeakPolarHBondContact CD-O 3.18Å; F708-G730 WeakPolarHBondContact CE1-O 3.48Å; F708-G730 WeakPolarHBondContact CZ-O 3.39Å; A726-G730 PolarHBondContact O-N 2.9Å; H727-G730 PolarHBondContact O-N 2.65Å; E728-G730 VanDerWaalsContact C-N 3.27Å
731A98.6Very high98.2Very high5 Ų527.3 Ų27.34%0.04115%0.15CC..  trans-64.9140.916900000110.5F708 A726 G733 F790F708-A731 HydrophobicContact CD2-CB 4.18Å; F708-A731 VanDerWaalsContact CE2-CA 3.49Å; F708-A731 HydrophobicContact CE2-CB 3.62Å; F708-A731 VanDerWaalsContact CZ-CA 3.47Å; F708-A731 HydrophobicContact CZ-CB 4.12Å; A726-A731 HydrophobicContact CB-CB 4.16Å; A726-A731 VanDerWaalsContact O-CB 3.28Å; A726-A731 WeakPolarHBondContact O-CB 3.34Å; A726-A731 PolarHBondContact O-N 2.82Å; A731-G733 VanDerWaalsContact C-N 3.26Å; A731-G733 PolarHBondContact O-N 3.26Å; A731-F790 WeakPolarHBondContact O-CE2 3.43Å
732D98.8Very high98.1Very high50 Ų5024.7 Ų24.727%0.26714%0.14SC..SBendtrans-80.2-13.2179.4-57-81.6000112.2C540 R701 P707 F708 F709 P791C540-D732 HydrophobicContact CB-CB 4.48Å; C540-D732 PolarHBondContact SG-O 2.96Å; R701-D732 IonicContact NH1-OD1 3.32Å; R701-D732 PolarHBondContact NH1-OD1 2.72Å; R701-D732 IonicContact NH1-OD2 3.5Å; R701-D732 PolarHBondContact NH1-OD2 3.13Å; P707-D732 WeakPolarHBondContact CA-OD2 3.24Å; P707-D732 HydrophobicContact CB-CB 4.15Å; F708-D732 PolarHBondContact N-OD2 3.35Å; F708-D732 PolarHBondContact O-N 3.34Å; F709-D732 HydrophobicContact CE1-CB 4.44Å; D732-P791 VanDerWaalsContact O-CD 3.22Å; D732-P791 WeakPolarHBondContact O-CD 3.08Å; D732-P791 WeakPolarHBondContact O-CG 3.44Å
733G98.7Very high98Very high0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-179.3-171.9176.800000111.3F709 A710 A731 F790 P791F709-G733 WeakPolarHBondContact CA-O 3.38Å; A710-G733 PolarHBondContact N-O 3.42Å; A731-G733 VanDerWaalsContact C-N 3.26Å; A731-G733 PolarHBondContact O-N 3.26Å; G733-F790 VanDerWaalsContact CA-CZ 3.46Å; G733-P791 CarbonylContact C-O 3.57Å; G733-P791 WeakPolarHBondContact CA-O 3.39Å
734V98.8Very high98Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans-134.6150.1176.5-71.40000111.9A710 L712 A726 I783 F790 P791 V792 L793A710-V734 HydrophobicContact CB-CG1 4.35Å; A710-V734 WeakPolarHBondContact O-CA 3.14Å; A710-V734 WeakPolarHBondContact O-CB 3.39Å; L712-V734 HydrophobicContact CD1-CB 3.99Å; L712-V734 HydrophobicContact CD1-CG1 3.99Å; L712-V734 HydrophobicContact CD1-CG2 4.27Å; L712-V734 HydrophobicContact CD2-CG1 4.14Å; L712-V734 HydrophobicContact CG-CB 4.08Å; L712-V734 HydrophobicContact CG-CG1 4.16Å; A726-V734 HydrophobicContact CB-CG1 4Å; V734-I783 HydrophobicContact CG2-CD1 4.35Å; V734-I783 HydrophobicContact CG2-CG2 4.03Å; V734-F790 HydrophobicContact CB-CE1 4.25Å; V734-F790 HydrophobicContact CG1-CE1 3.58Å; V734-F790 HydrophobicContact CG1-CZ 3.91Å; V734-F790 HydrophobicContact CG2-CD1 4.27Å; V734-F790 HydrophobicContact CG2-CE1 3.87Å; V734-P791 PolarHBondContact N-O 3Å; V734-V792 HydrophobicContact CG2-CG2 4.12Å; V734-V792 CarbonylContact O-C 3.54Å; V734-V792 WeakPolarHBondContact O-CA 3.45Å; V734-L793 PolarHBondContact O-N 3.15Å
735T98.9Very high97.8Very high0 Ų026.7 Ų26.70%016%0.157CC..EExtended strand (participates in β ladder)trans-97.3120.4166-60.80000109.5E668 A710 K711 L712 L793 T795 Q816E668-T735 VanDerWaalsContact OE2-CB 3.23Å; E668-T735 WeakPolarHBondContact OE2-CB 3.49Å; E668-T735 VanDerWaalsContact OE2-CG2 3.32Å; E668-T735 WeakPolarHBondContact OE2-CG2 3.39Å; E668-T735 PolarHBondContact OE2-OG1 2.88Å; A710-T735 PolarHBondContact O-N 3.09Å; K711-T735 HydrophobicContact CD-CG2 4.33Å; K711-T735 HydrophobicContact CG-CG2 3.91Å; L712-T735 PolarHBondContact N-O 3.43Å; T735-L793 CarbonylContact C-O 3.57Å; T735-L793 VanDerWaalsContact CA-O 3.25Å; T735-L793 WeakPolarHBondContact CA-O 3.01Å; T735-L793 HydrophobicContact CG2-CB 4.35Å; T735-L793 WeakPolarHBondContact CG2-O 3.11Å; T735-T795 HydrophobicContact CG2-CG2 3.77Å; T735-Q816 PolarHBondContact OG1-NE2 3.02Å
736A98.5Very high97.8Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-123.3108.9-17700000110.7V780 I783 V792 L793 A794 T795A736-V780 HydrophobicContact CB-CG2 3.93Å; A736-I783 HydrophobicContact CB-CD1 3.93Å; A736-V792 HydrophobicContact CB-CG1 3.93Å; A736-L793 PolarHBondContact N-O 3.26Å; A736-A794 CarbonylContact O-C 3.58Å; A736-A794 WeakPolarHBondContact O-CA 3.35Å; A736-T795 CarbonylContact C-O 3.6Å; A736-T795 PolarHBondContact O-N 3.22Å
737T97.9Very high97.7Very high3 Ų336.5 Ų36.52%0.01820%0.204CC..  cis-140.8166.83.766.30000112.2L712 P714 I719 A779 T795L712-T737 CarbonylContact O-C 3.58Å; L712-T737 WeakPolarHBondContact O-CA 3.28Å; P714-T737 HydrophobicContact CB-CG2 4.29Å; I719-T737 HydrophobicContact CD1-CG2 3.43Å; I719-T737 VanDerWaalsContact CD1-CG2 3.43Å; T737-A779 HydrophobicContact CG2-CB 3.47Å; T737-A779 VanDerWaalsContact CG2-CB 3.47Å; T737-T795 PolarHBondContact N-O 3.17Å; T737-T795 WeakPolarHBondContact O-CG2 3.4Å
738N96.4Very high97.7Very high26 Ų2637.9 Ų37.914%0.13923%0.231CC..  trans-65.8-176.5165.8-149-37.1000111.5S672 L712 P714S672-N738 VanDerWaalsContact CB-CB 3.47Å; S672-N738 WeakPolarHBondContact CB-ND2 3.36Å; L712-N738 PolarHBondContact O-N 2.75Å; P714-N738 VanDerWaalsContact CD-O 3.24Å; P714-N738 WeakPolarHBondContact CD-O 3.22Å; P714-N738 VanDerWaalsContact CG-O 3.31Å; P714-N738 WeakPolarHBondContact CG-O 3.49Å
739T97.1Very high97.6Very high17 Ų1738 Ų3810%0.10423%0.234CC..PPolyproline II helixtrans-66.1152.9-178.453.90000113.9P714 N715 G766 V767P714-T739 WeakPolarHBondContact CG-O 3.26Å; N715-T739 PolarHBondContact ND2-O 3.36Å; T739-G766 VanDerWaalsContact CB-CA 3.46Å; T739-G766 VanDerWaalsContact OG1-CA 3.28Å; T739-G766 WeakPolarHBondContact OG1-CA 3.49Å; T739-V767 WeakPolarHBondContact CA-O 3.47Å; T739-V767 VanDerWaalsContact CB-O 3.25Å; T739-V767 WeakPolarHBondContact CB-O 3.32Å
740V97.6Very high97.6Very high29 Ų2940 Ų4018%0.17626%0.256CS..EExtended strand (participates in β ladder)trans-84.5130.2173.6179.60000109.4P714 V767 I772 I775P714-V740 HydrophobicContact CB-CG2 4.33Å; P714-V740 HydrophobicContact CG-CG2 3.78Å; V740-V767 HydrophobicContact CB-CB 4.48Å; V740-V767 PolarHBondContact N-O 2.9Å; V740-V767 VanDerWaalsContact N-O 3.08Å; V740-V767 WeakPolarHBondContact O-CB 3.49Å; V740-V767 PolarHBondContact O-N 3.16Å; V740-I772 HydrophobicContact CB-CG2 3.93Å; V740-I772 HydrophobicContact CG2-CB 3.91Å; V740-I772 HydrophobicContact CG2-CD1 4.48Å; V740-I772 HydrophobicContact CG2-CG2 3.58Å; V740-I775 HydrophobicContact CG1-CD1 4.34Å; V740-I775 HydrophobicContact CG2-CD1 3.75Å; V740-I775 HydrophobicContact CG2-CG2 4.26Å
741S96.3Very high97.5Very high51 Ų5139.3 Ų39.336%0.35725%0.246SC..EExtended strand (participates in β ladder)trans-67.4136.1179.4-173.50000111.2N715 G765N715-S741 PolarHBondContact OD1-N 3.35Å; S741-G765 CarbonylContact C-O 3.55Å; S741-G765 WeakPolarHBondContact CA-O 3.13Å
742G96.3Very high97.5Very high18 Ų1839.8 Ų39.819%0.18625%0.249CC..EExtended strand (participates in β ladder)trans-169.3-178.4179.700000115.5L610 Y764 G765L610-G742 WeakPolarHBondContact CD1-O 3.48Å; G742-Y764 WeakPolarHBondContact O-CA 2.94Å; G742-G765 PolarHBondContact N-O 3.4Å; G742-G765 PolarHBondContact O-N 3Å
743L97.6Very high97.5Very high78 Ų7842.5 Ų42.541%0.40826%0.256SS..  trans-130118.1173.4-179.167.7000107.9L746 T762 Y764L743-L746 HydrophobicContact CD2-CD2 4.11Å; L743-L746 HydrophobicContact CD2-CG 4.42Å; L743-T762 HydrophobicContact CD1-CG2 3.79Å; L743-Y764 HydrophobicContact CB-CD1 4.18Å; L743-Y764 HydrophobicContact CB-CE1 4.33Å
744M97.3Very high97.4Very high16 Ų1642.5 Ų42.58%0.07926%0.256CS..  trans-77.1-52-166.2-171.555.768.700112.9V593 G595 N596 T597 L610 V767V593-M744 HydrophobicContact CG2-CB 4.33Å; V593-M744 HydrophobicContact CG2-CG 4.46Å; G595-M744 WeakPolarHBondContact CA-SD 3.31Å; N596-M744 PolarHBondContact N-SD 3.22Å; N596-M744 VanDerWaalsContact N-SD 3.36Å; N596-M744 PolarHBondContact ND2-O 3.26Å; N596-M744 PolarHBondContact OD1-O 3.16Å; N596-M744 PolarHBondContact OD1-SD 3.5Å; T597-M744 HydrophobicContact CG2-SD 4.42Å; L610-M744 HydrophobicContact CB-CB 3.92Å; L610-M744 HydrophobicContact CB-CE 3.64Å; L610-M744 HydrophobicContact CB-CG 4.42Å; L610-M744 HydrophobicContact CD1-CB 4Å; L610-M744 HydrophobicContact CD2-CB 4.49Å; L610-M744 HydrophobicContact CG-CB 4.35Å; M744-V767 HydrophobicContact CE-CG1 4.15Å; M744-V767 HydrophobicContact CE-CG2 4.16Å
745S95.3Very high97.3Very high41 Ų4143.8 Ų43.829%0.28727%0.265SS..EExtended strand (participates in β ladder)trans-152.5146.2-177.2-161.80000112W753S745-W753 PolarHBondContact O-N 2.9Å
746L97.5Very high97.3Very high97 Ų9745.6 Ų45.651%0.50828%0.275SS..EExtended strand (participates in β ladder)trans-108.4148.5158.3-58.3179.7000108.3L743 S751 P752L743-L746 HydrophobicContact CD2-CD2 4.11Å; L743-L746 HydrophobicContact CD2-CG 4.42Å; L746-S751 CarbonylContact C-O 3.51Å; L746-S751 WeakPolarHBondContact CA-O 3.49Å; L746-P752 HydrophobicContact CD2-CB 3.91Å
747K96.7Very high97.2Very high110 Ų11048.4 Ų48.448%0.47830%0.304SS..  trans-80.9169.8170-65.7-175.1-174.6177.50109.8D749 G750 S751K747-D749 VanDerWaalsContact CB-OD1 3.31Å; K747-D749 WeakPolarHBondContact CB-OD1 3.39Å; K747-D749 PolarHBondContact O-N 3.08Å; K747-G750 PolarHBondContact O-N 2.93Å; K747-S751 PolarHBondContact N-O 3.44Å
748A97.8Very high97.1Very high118 Ų11855.4 Ų55.498%0.97535%0.347SS*.THydrogen-bonded Turntrans-60.5-25.4178.300000113.5G750A748-G750 VanDerWaalsContact C-N 3.25Å; A748-G750 PolarHBondContact O-N 2.88Å
749D97.2Very high97.1Very high106 Ų10659 Ų5957%0.56737%0.374SS*.THydrogen-bonded Turntrans-82.62.4174.671.8-11.6000113.5K747 S751K747-D749 VanDerWaalsContact CB-OD1 3.31Å; K747-D749 WeakPolarHBondContact CB-OD1 3.39Å; K747-D749 PolarHBondContact O-N 3.08Å; D749-S751 VanDerWaalsContact C-N 3.3Å; D749-S751 VanDerWaalsContact CG-OG 3.31Å; D749-S751 PolarHBondContact O-N 3.08Å; D749-S751 VanDerWaalsContact OD1-CB 3.26Å; D749-S751 WeakPolarHBondContact OD1-CB 3.21Å; D749-S751 PolarHBondContact OD1-N 3.3Å; D749-S751 PolarHBondContact OD1-OG 3.18Å; D749-S751 PolarHBondContact OD2-OG 2.94Å
750G97.4Very high97.1Very high48 Ų4863.1 Ų63.150%0.49539%0.39SS..SBendtrans83.1-5.7-176.500000114.9K747 A748K747-G750 PolarHBondContact O-N 2.93Å; A748-G750 VanDerWaalsContact C-N 3.25Å; A748-G750 PolarHBondContact O-N 2.88Å
751S97.9Very high97.1Very high13 Ų1370.4 Ų70.49%0.09142%0.415CS..  trans-72.9143.5178.467.50000112.1L746 K747 D749L746-S751 CarbonylContact C-O 3.51Å; L746-S751 WeakPolarHBondContact CA-O 3.49Å; K747-S751 PolarHBondContact N-O 3.44Å; D749-S751 VanDerWaalsContact C-N 3.3Å; D749-S751 VanDerWaalsContact CG-OG 3.31Å; D749-S751 PolarHBondContact O-N 3.08Å; D749-S751 VanDerWaalsContact OD1-CB 3.26Å; D749-S751 WeakPolarHBondContact OD1-CB 3.21Å; D749-S751 PolarHBondContact OD1-N 3.3Å; D749-S751 PolarHBondContact OD1-OG 3.18Å; D749-S751 PolarHBondContact OD2-OG 2.94Å
752P98Very high97.1Very high15 Ų1570.2 Ų70.210%0.09741%0.411CS..EExtended strand (participates in β ladder)trans-79.7166.2-175.932.3-36000113.5L746 C755 K760 T762L746-P752 HydrophobicContact CD2-CB 3.91Å; P752-C755 HydrophobicContact CG-CB 4.39Å; P752-C755 WeakPolarHBondContact O-CB 3.47Å; P752-K760 VanDerWaalsContact CD-O 3.28Å; P752-K760 WeakPolarHBondContact CD-O 3.35Å; P752-K760 VanDerWaalsContact CG-O 3.26Å; P752-K760 WeakPolarHBondContact CG-O 3.16Å; P752-T762 HydrophobicContact CB-CG2 3.38Å; P752-T762 HydrophobicContact CG-CG2 3.64Å
753W97.4Very high97.1Very high106 Ų10672.6 Ų72.640%0.40242%0.422SS..EExtended strand (participates in β ladder)trans-135.4116.4162.6-171.5-115.9000110.2P590 V593 S745P590-W753 HydrophobicContact CB-CH2 4.4Å; P590-W753 HydrophobicContact CG-CH2 4.14Å; P590-W753 HydrophobicContact CG-CZ3 4.05Å; V593-W753 HydrophobicContact CG1-CD2 4.27Å; V593-W753 HydrophobicContact CG1-CG 4.24Å; V593-W753 HydrophobicContact CG1-CZ2 4.32Å; S745-W753 PolarHBondContact O-N 2.9Å
754P97.7Very high97Very high1 Ų176.4 Ų76.41%0.00643%0.432CS..SBendcis-70.8150.17.929.2-34000113.8P590 V593 L610 I612 T762P590-P754 HydrophobicContact CB-CB 4.33Å; P590-P754 HydrophobicContact CG-CB 3.99Å; V593-P754 HydrophobicContact CG1-CB 3.76Å; V593-P754 HydrophobicContact CG1-CG 4.11Å; L610-P754 HydrophobicContact CD2-CG 4.47Å; I612-P754 HydrophobicContact CD1-CG 3.88Å; I612-P754 HydrophobicContact CG1-CG 4.19Å; P754-T762 VanDerWaalsContact O-CB 3.24Å; P754-T762 WeakPolarHBondContact O-CB 3.29Å; P754-T762 PolarHBondContact O-OG1 3.37Å
755C97.1Very high97Very high27 Ų2775.6 Ų75.618%0.18243%0.428CS..  trans-118.7122.6172.759.40000110.9P590 P752 K760 R761P590-C755 WeakPolarHBondContact CD-O 3.34Å; P590-C755 WeakPolarHBondContact CG-O 3.34Å; P752-C755 HydrophobicContact CG-CB 4.39Å; P752-C755 WeakPolarHBondContact O-CB 3.47Å; C755-K760 HydrophobicContact CB-CB 4.07Å; C755-R761 CarbonylContact C-O 3.36Å
756V97.9Very high97.1Very high37 Ų3773.7 Ų73.722%0.22442%0.415CS..BIsolated β-bridgetrans-108.4132.5-174.6-178.20000110.7V588 I612 R761V588-V756 HydrophobicContact CB-CG1 4.11Å; V588-V756 HydrophobicContact CB-CG2 4.47Å; V588-V756 HydrophobicContact CG1-CG1 4.48Å; V588-V756 HydrophobicContact CG2-CG2 4.19Å; I612-V756 HydrophobicContact CD1-CG2 4.12Å; V756-R761 PolarHBondContact N-O 3.42Å; V756-R761 PolarHBondContact O-N 2.93Å
757G97.1Very high97.1Very high59 Ų5970 Ų7061%0.60840%0.396SS*.THydrogen-bonded Turntrans68.9178.4176.300000114.7S759 K760G757-S759 PolarHBondContact O-N 3.13Å; G757-K760 PolarHBondContact O-N 2.6Å
758V95.9Very high97.2Very high151 Ų15165.2 Ų65.292%0.91538%0.377SS*.THydrogen-bonded Turntrans-60.4-35.7-178.9-179.50000111.6K760V758-K760 PolarHBondContact O-N 3.21Å
759S95.6Very high97.2Very high100 Ų10059.7 Ų59.770%0.69933%0.332SS*.THydrogen-bonded Turntrans-74.62.4177.3-50.20000114G757 R761G757-S759 PolarHBondContact O-N 3.13Å; S759-R761 VanDerWaalsContact C-N 3.26Å; S759-R761 PolarHBondContact O-N 3.29Å
760K97.1Very high97.2Very high105 Ų10557.2 Ų57.246%0.45732%0.318SS..THydrogen-bonded Turntrans5041.2177.8-59.6-179.5179.8177.50113.6P752 C755 G757 V758P752-K760 VanDerWaalsContact CD-O 3.28Å; P752-K760 WeakPolarHBondContact CD-O 3.35Å; P752-K760 VanDerWaalsContact CG-O 3.26Å; P752-K760 WeakPolarHBondContact CG-O 3.16Å; C755-K760 HydrophobicContact CB-CB 4.07Å; G757-K760 PolarHBondContact O-N 2.6Å; V758-K760 PolarHBondContact O-N 3.21Å
761R97.6Very high97.2Very high182 Ų18257.1 Ų57.169%0.68731%0.312SS*.BIsolated β-bridgetrans-79.1160.4-175.3-64.3-174.667.882.51.1111.7C755 V756 S759C755-R761 CarbonylContact C-O 3.36Å; V756-R761 PolarHBondContact N-O 3.42Å; V756-R761 PolarHBondContact O-N 2.93Å; S759-R761 VanDerWaalsContact C-N 3.26Å; S759-R761 PolarHBondContact O-N 3.29Å
762T97.8Very high97.2Very high46 Ų4656.9 Ų56.928%0.28231%0.31SS..  trans-144.3173168.9-153.40000110L743 P752 P754L743-T762 HydrophobicContact CD1-CG2 3.79Å; P752-T762 HydrophobicContact CB-CG2 3.38Å; P752-T762 HydrophobicContact CG-CG2 3.64Å; P754-T762 VanDerWaalsContact O-CB 3.24Å; P754-T762 WeakPolarHBondContact O-CB 3.29Å; P754-T762 PolarHBondContact O-OG1 3.37Å
763T96Very high97.3Very high68 Ų6858.3 Ų58.342%0.41731%0.314SS..  trans-134168.8167.5-170.20000108.8I612 G765I612-T763 HydrophobicContact CB-CG2 4.29Å; I612-T763 HydrophobicContact CG2-CG2 3.84Å; T763-G765 PolarHBondContact O-N 3.48Å
764Y95.7Very high97.4Very high158 Ų15857.5 Ų57.562%0.6232%0.322SS*.  trans-62.1136.5172.2-61.2-58.5000110H675 G742 L743H675-Y764 WeakPolarHBondContact CB-O 3.31Å; G742-Y764 WeakPolarHBondContact O-CA 2.94Å; L743-Y764 HydrophobicContact CB-CD1 4.18Å; L743-Y764 HydrophobicContact CB-CE1 4.33Å
765G96.1Very high97.4Very high0 Ų061 Ų610%034%0.34CS..EExtended strand (participates in β ladder)trans-118171.8-179.200000112.5N611 S741 G742 T763N611-G765 CarbonylContact O-C 3.57Å; N611-G765 WeakPolarHBondContact O-CA 3.47Å; S741-G765 CarbonylContact C-O 3.55Å; S741-G765 WeakPolarHBondContact CA-O 3.13Å; G742-G765 PolarHBondContact N-O 3.4Å; G742-G765 PolarHBondContact O-N 3Å; T763-G765 PolarHBondContact O-N 3.48Å
766G97.3Very high97.5Very high0 Ų059.7 Ų59.70%033%0.331CS..EExtended strand (participates in β ladder)trans-86.9115.717400000112.6L610 N611 T739L610-G766 WeakPolarHBondContact CA-O 3.33Å; N611-G766 PolarHBondContact N-O 2.94Å; N611-G766 PolarHBondContact ND2-O 3.02Å; N611-G766 PolarHBondContact O-N 3.47Å; T739-G766 VanDerWaalsContact CB-CA 3.46Å; T739-G766 VanDerWaalsContact OG1-CA 3.28Å; T739-G766 WeakPolarHBondContact OG1-CA 3.49Å
767V98.6Very high97.5Very high19 Ų1959.8 Ų59.812%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-77132.6168.5-172.40000109.8F609 L610 T739 V740 M744 I772F609-V767 CarbonylContact O-C 3.31Å; F609-V767 WeakPolarHBondContact O-CA 3.37Å; L610-V767 HydrophobicContact CD1-CG2 4Å; T739-V767 WeakPolarHBondContact CA-O 3.47Å; T739-V767 VanDerWaalsContact CB-O 3.25Å; T739-V767 WeakPolarHBondContact CB-O 3.32Å; V740-V767 HydrophobicContact CB-CB 4.48Å; V740-V767 PolarHBondContact N-O 2.9Å; V740-V767 VanDerWaalsContact N-O 3.08Å; V740-V767 WeakPolarHBondContact O-CB 3.49Å; V740-V767 PolarHBondContact O-N 3.16Å; M744-V767 HydrophobicContact CE-CG1 4.15Å; M744-V767 HydrophobicContact CE-CG2 4.16Å; V767-I772 HydrophobicContact CB-CG2 4.18Å; V767-I772 HydrophobicContact CG1-CG2 3.85Å
768S98.4Very high97.6Very high11 Ų1164.1 Ų64.18%0.07733%0.333CS..EExtended strand (participates in β ladder)trans-132.6174.9179.465.90000111.1S608 F609 S819S608-S768 WeakPolarHBondContact CA-O 3.47Å; S608-S768 WeakPolarHBondContact CB-O 3.26Å; F609-S768 PolarHBondContact N-O 3.16Å; F609-S768 PolarHBondContact O-N 3.43Å; F609-S768 PolarHBondContact O-OG 3.48Å; S768-S819 WeakPolarHBondContact CB-OG 3.14Å; S768-S819 PolarHBondContact OG-OG 2.98Å; S768-S819 VanDerWaalsContact OG-OG 3.09Å
769G98Very high97.7Very high2 Ų257.2 Ų57.22%0.02129%0.291CS..SBendtrans89.6-166.8177.800000114.1A771 I772 G797 S819G769-A771 PolarHBondContact O-N 2.65Å; G769-I772 WeakPolarHBondContact O-CG1 3.31Å; G769-I772 PolarHBondContact O-N 3.03Å; G769-I772 VanDerWaalsContact O-N 3.09Å; G769-G797 VanDerWaalsContact C-CA 3.46Å; G769-G797 WeakPolarHBondContact O-CA 3.33Å; G769-S819 WeakPolarHBondContact CA-OG 3.25Å; G769-S819 PolarHBondContact N-OG 2.84Å; G769-S819 VanDerWaalsContact N-OG 3.08Å
770N96.4Very high97.9Very high54 Ų5452.4 Ų52.429%0.28926%0.258SS..G310 helixtrans-60.1-29.6-171.5-71-10.3000113.8G607 I772 R773 G797 D799G607-N770 PolarHBondContact O-N 3.32Å; N770-I772 PolarHBondContact O-N 3.25Å; N770-I772 VanDerWaalsContact O-N 3.12Å; N770-R773 PolarHBondContact ND2-NH2 3.45Å; N770-R773 WeakPolarHBondContact O-CB 3.38Å; N770-R773 PolarHBondContact O-N 3.16Å; N770-R773 PolarHBondContact OD1-NH2 3.13Å; N770-G797 PolarHBondContact OD1-O 3.29Å; N770-D799 PolarHBondContact ND2-OD2 3.18Å; N770-D799 PolarHBondContact OD1-OD2 3.31Å
771A98.1Very high98Very high45 Ų4548 Ų4837%0.37224%0.24SC..G310 helixtrans-58.1-26177.100000113.4T597 G607 G769T597-A771 HydrophobicContact CG2-CB 3.99Å; G607-A771 PolarHBondContact O-N 2.94Å; G769-A771 PolarHBondContact O-N 2.65Å
772I98.6Very high98Very high9 Ų940.9 Ų40.95%0.04622%0.22CC..G310 helixtrans-100.8-2.1178.969155.6000113.5V740 V767 G769 N770 P774 I775 A776V740-I772 HydrophobicContact CB-CG2 3.93Å; V740-I772 HydrophobicContact CG2-CB 3.91Å; V740-I772 HydrophobicContact CG2-CD1 4.48Å; V740-I772 HydrophobicContact CG2-CG2 3.58Å; V767-I772 HydrophobicContact CB-CG2 4.18Å; V767-I772 HydrophobicContact CG1-CG2 3.85Å; G769-I772 WeakPolarHBondContact O-CG1 3.31Å; G769-I772 PolarHBondContact O-N 3.03Å; G769-I772 VanDerWaalsContact O-N 3.09Å; N770-I772 PolarHBondContact O-N 3.25Å; N770-I772 VanDerWaalsContact O-N 3.12Å; I772-P774 VanDerWaalsContact C-CD 3.48Å; I772-I775 WeakPolarHBondContact O-CB 3.48Å; I772-I775 PolarHBondContact O-N 3.18Å; I772-A776 PolarHBondContact O-N 3.19Å
773R98.8Very high98.1Very high44 Ų4438.7 Ų38.717%0.16621%0.206CC..Hα-helixtrans-53.9-44.2179.9-172.1-168-58.6174.51.4112.9N770 I775 A776 L777 G796 G797 D799 F807N770-R773 PolarHBondContact ND2-NH2 3.45Å; N770-R773 WeakPolarHBondContact O-CB 3.38Å; N770-R773 PolarHBondContact O-N 3.16Å; N770-R773 PolarHBondContact OD1-NH2 3.13Å; R773-I775 VanDerWaalsContact C-N 3.26Å; R773-I775 PolarHBondContact O-N 3Å; R773-A776 PolarHBondContact O-N 3.29Å; R773-L777 HydrophobicContact CG-CD1 4.02Å; R773-L777 HydrophobicContact CG-CG 4.3Å; R773-L777 PolarHBondContact O-N 2.75Å; R773-G796 WeakPolarHBondContact CA-O 3.37Å; R773-G797 PolarHBondContact NE-O 3.02Å; R773-G797 PolarHBondContact NH2-O 2.82Å; R773-D799 IonicContact CZ-OD1 2.57Å; R773-D799 IonicContact NH2-OD1 2.68Å; R773-D799 PolarHBondContact NH2-OD1 2.87Å; R773-D799 IonicContact NH2-OD2 2.99Å; R773-D799 PolarHBondContact NH2-OD2 3.07Å; R773-F807 HydrophobicContact CG-CE2 3.91Å; R773-F807 HydrophobicContact CG-CZ 4.06Å
774P98.8Very high98.2Very high90 Ų9036 Ų3658%0.58419%0.191SC*.Hα-helixtrans-60.9-34.9178.5-24.636.1000113.3I772 K778I772-P774 VanDerWaalsContact C-CD 3.48Å; P774-K778 WeakPolarHBondContact O-CB 3.34Å; P774-K778 PolarHBondContact O-N 3Å; P774-K778 VanDerWaalsContact O-N 3.13Å
775I98.8Very high98.3Very high73 Ų7334 Ų3437%0.37418%0.182SC..Hα-helixtrans-69.2-44177.6-62.9167000109.9P714 V740 I772 R773 K778 A779P714-I775 HydrophobicContact CB-CG2 3.84Å; V740-I775 HydrophobicContact CG1-CD1 4.34Å; V740-I775 HydrophobicContact CG2-CD1 3.75Å; V740-I775 HydrophobicContact CG2-CG2 4.26Å; I772-I775 WeakPolarHBondContact O-CB 3.48Å; I772-I775 PolarHBondContact O-N 3.18Å; R773-I775 VanDerWaalsContact C-N 3.26Å; R773-I775 PolarHBondContact O-N 3Å; I775-K778 PolarHBondContact O-N 2.82Å; I775-A779 PolarHBondContact O-N 3.04Å
776A98.8Very high98.4Very high0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-66-43.4177.700000112.5I772 R773 K778 A779 V780 F807I772-A776 PolarHBondContact O-N 3.19Å; R773-A776 PolarHBondContact O-N 3.29Å; A776-K778 VanDerWaalsContact C-N 3.34Å; A776-K778 PolarHBondContact O-N 3.05Å; A776-A779 WeakPolarHBondContact O-CB 3.2Å; A776-A779 PolarHBondContact O-N 2.9Å; A776-A779 VanDerWaalsContact O-N 3.16Å; A776-V780 WeakPolarHBondContact O-CG2 3.46Å; A776-V780 PolarHBondContact O-N 2.71Å; A776-F807 HydrophobicContact CB-CE1 3.83Å; A776-F807 HydrophobicContact CB-CZ 3.79Å
777L98.8Very high98.4Very high40 Ų4037 Ų3721%0.20920%0.204CC..Hα-helixtrans-60.7-41.8175.7-79.2170.8000112R773 S781 Q806 F807 A810R773-L777 HydrophobicContact CG-CD1 4.02Å; R773-L777 HydrophobicContact CG-CG 4.3Å; R773-L777 PolarHBondContact O-N 2.75Å; L777-S781 WeakPolarHBondContact O-CB 3.39Å; L777-S781 PolarHBondContact O-N 3.49Å; L777-S781 PolarHBondContact O-OG 3.26Å; L777-Q806 HydrophobicContact CD2-CB 4.24Å; L777-F807 HydrophobicContact CD2-CD1 3.75Å; L777-F807 HydrophobicContact CD2-CD2 4.06Å; L777-F807 HydrophobicContact CD2-CE1 3.79Å; L777-F807 HydrophobicContact CD2-CE2 4.08Å; L777-F807 HydrophobicContact CD2-CG 3.91Å; L777-F807 HydrophobicContact CD2-CZ 3.96Å; L777-F807 HydrophobicContact CG-CD1 4.42Å; L777-F807 HydrophobicContact CG-CE1 3.95Å; L777-F807 HydrophobicContact CG-CE2 4.19Å; L777-F807 HydrophobicContact CG-CZ 3.82Å; L777-A810 HydrophobicContact CD2-CB 4.13Å
778K98.6Very high98.3Very high150 Ų15041.2 Ų41.265%0.65223%0.232SC*.Hα-helixtrans-59.6-47.8172.9-179.3-160.6171.6-171.60110.9P774 I775 A776 S781 A782P774-K778 WeakPolarHBondContact O-CB 3.34Å; P774-K778 PolarHBondContact O-N 3Å; P774-K778 VanDerWaalsContact O-N 3.13Å; I775-K778 PolarHBondContact O-N 2.82Å; A776-K778 VanDerWaalsContact C-N 3.34Å; A776-K778 PolarHBondContact O-N 3.05Å; K778-S781 PolarHBondContact O-OG 2.71Å; K778-A782 WeakPolarHBondContact O-CB 3.47Å; K778-A782 PolarHBondContact O-N 3.03Å
779A98.8Very high98.1Very high5 Ų544.6 Ų44.64%0.04127%0.269CS..Hα-helixtrans-61-50.4-179.200000112.1I719 T737 I775 A776 A782 I783I719-A779 HydrophobicContact CD1-CB 3.93Å; I719-A779 HydrophobicContact CG2-CB 4.16Å; T737-A779 HydrophobicContact CG2-CB 3.47Å; T737-A779 VanDerWaalsContact CG2-CB 3.47Å; I775-A779 PolarHBondContact O-N 3.04Å; A776-A779 WeakPolarHBondContact O-CB 3.2Å; A776-A779 PolarHBondContact O-N 2.9Å; A776-A779 VanDerWaalsContact O-N 3.16Å; A779-A782 PolarHBondContact O-N 3.32Å; A779-I783 WeakPolarHBondContact O-CB 3.45Å; A779-I783 WeakPolarHBondContact O-CD1 2.98Å; A779-I783 VanDerWaalsContact O-CG1 3.23Å; A779-I783 WeakPolarHBondContact O-CG1 3.46Å; A779-I783 PolarHBondContact O-N 3.04Å
780V98.9Very high98.1Very high0 Ų045.1 Ų45.10%027%0.27CS..Hα-helixtrans-59-50.8179.61700000110.9A736 A776 A782 I783 A784 V792 A794 F807 A810 A812A736-V780 HydrophobicContact CB-CG2 3.93Å; A776-V780 WeakPolarHBondContact O-CG2 3.46Å; A776-V780 PolarHBondContact O-N 2.71Å; V780-A782 PolarHBondContact O-N 3.42Å; V780-I783 PolarHBondContact O-N 3.42Å; V780-A784 WeakPolarHBondContact O-CB 2.97Å; V780-A784 PolarHBondContact O-N 3.26Å; V780-V792 HydrophobicContact CB-CG1 4.47Å; V780-V792 HydrophobicContact CG1-CG1 4.16Å; V780-V792 HydrophobicContact CG2-CG1 3.98Å; V780-A794 HydrophobicContact CG2-CB 4.08Å; V780-F807 HydrophobicContact CB-CD1 4.33Å; V780-F807 HydrophobicContact CG1-CD1 4.47Å; V780-F807 HydrophobicContact CG2-CD1 3.91Å; V780-F807 HydrophobicContact CG2-CE1 4.04Å; V780-A810 HydrophobicContact CG1-CB 3.99Å; V780-A812 HydrophobicContact CG1-CB 3.98Å
781S98.7Very high98.2Very high13 Ų1343.7 Ų43.79%0.09126%0.264CS..Hα-helixtrans-65.7-38.7-179.456.50000113.3L777 K778 R785 A810L777-S781 WeakPolarHBondContact O-CB 3.39Å; L777-S781 PolarHBondContact O-N 3.49Å; L777-S781 PolarHBondContact O-OG 3.26Å; K778-S781 PolarHBondContact O-OG 2.71Å; S781-R785 WeakPolarHBondContact O-CB 3.37Å; S781-R785 VanDerWaalsContact O-CG 3.29Å; S781-R785 WeakPolarHBondContact O-CG 3.01Å; S781-R785 PolarHBondContact O-N 3.35Å; S781-A810 WeakPolarHBondContact CA-O 3.35Å
782A98.6Very high98.3Very high31 Ų3141.6 Ų41.626%0.25625%0.246SC..Hα-helixtrans-64.9-42.6176.600000112V720 K778 A779 V780 A786V720-A782 HydrophobicContact CG2-CB 3.92Å; K778-A782 WeakPolarHBondContact O-CB 3.47Å; K778-A782 PolarHBondContact O-N 3.03Å; A779-A782 PolarHBondContact O-N 3.32Å; V780-A782 PolarHBondContact O-N 3.42Å; A782-A786 VanDerWaalsContact O-CB 3.29Å; A782-A786 WeakPolarHBondContact O-CB 3.4Å; A782-A786 PolarHBondContact O-N 2.94Å
783I98.8Very high98.3Very high0 Ų041.2 Ų41.20%024%0.244CC..Hα-helixtrans-64.6-49.8176.8-67.8165.1000110.2L712 I719 A723 V734 A736 A779 V780 R785 A786 I787 F790 V792L712-I783 HydrophobicContact CD1-CD1 3.9Å; I719-I783 HydrophobicContact CD1-CD1 4.44Å; I719-I783 HydrophobicContact CG1-CD1 4.42Å; I719-I783 HydrophobicContact CG2-CD1 4.33Å; I719-I783 HydrophobicContact CG2-CG1 4.32Å; A723-I783 HydrophobicContact CB-CD1 4.1Å; A723-I783 HydrophobicContact CB-CG1 3.87Å; A723-I783 HydrophobicContact CB-CG2 4.01Å; V734-I783 HydrophobicContact CG2-CD1 4.35Å; V734-I783 HydrophobicContact CG2-CG2 4.03Å; A736-I783 HydrophobicContact CB-CD1 3.93Å; A779-I783 WeakPolarHBondContact O-CB 3.45Å; A779-I783 WeakPolarHBondContact O-CD1 2.98Å; A779-I783 VanDerWaalsContact O-CG1 3.23Å; A779-I783 WeakPolarHBondContact O-CG1 3.46Å; A779-I783 PolarHBondContact O-N 3.04Å; V780-I783 PolarHBondContact O-N 3.42Å; I783-R785 VanDerWaalsContact C-N 3.28Å; I783-R785 PolarHBondContact O-N 3.29Å; I783-A786 PolarHBondContact O-N 3.12Å; I783-A786 VanDerWaalsContact O-N 3.08Å; I783-I787 PolarHBondContact O-N 3.12Å; I783-F790 HydrophobicContact CG2-CD1 4.47Å; I783-V792 HydrophobicContact CG2-CG2 3.84Å
784A98.5Very high98.3Very high11 Ų1139.1 Ų39.19%0.09124%0.237CC..Hα-helixtrans-62.8-32.8-178.200000112.9V780 L932V780-A784 WeakPolarHBondContact O-CB 2.97Å; V780-A784 PolarHBondContact O-N 3.26Å; A784-L932 HydrophobicContact CB-CD1 3.84Å
785R98.1Very high98.3Very high117 Ų11735.5 Ų35.544%0.44221%0.213SC..Hα-helixtrans-70.9-40.3172-74.3179.969.4-160.13.9112.7S781 I783 L932 I935S781-R785 WeakPolarHBondContact O-CB 3.37Å; S781-R785 VanDerWaalsContact O-CG 3.29Å; S781-R785 WeakPolarHBondContact O-CG 3.01Å; S781-R785 PolarHBondContact O-N 3.35Å; I783-R785 VanDerWaalsContact C-N 3.28Å; I783-R785 PolarHBondContact O-N 3.29Å; R785-L932 HydrophobicContact CG-CB 4.2Å; R785-L932 HydrophobicContact CG-CD1 3.94Å; R785-L932 HydrophobicContact CG-CD2 3.86Å; R785-L932 HydrophobicContact CG-CG 4.22Å; R785-I935 PolarHBondContact NE-O 3.23Å; R785-I935 PolarHBondContact NH1-O 2.9Å; R785-I935 VanDerWaalsContact NH1-O 3.16Å; R785-I935 PolarHBondContact NH2-O 3Å
786A98.2Very high98.2Very high44 Ų4432.3 Ų32.336%0.36420%0.198SC..Hα-helixtrans-79.7-27.3-173.900000113.6V720 A782 I783V720-A786 HydrophobicContact CB-CB 4.45Å; V720-A786 HydrophobicContact CG1-CB 3.34Å; V720-A786 HydrophobicContact CG2-CB 4.24Å; A782-A786 VanDerWaalsContact O-CB 3.29Å; A782-A786 WeakPolarHBondContact O-CB 3.4Å; A782-A786 PolarHBondContact O-N 2.94Å; I783-A786 PolarHBondContact O-N 3.12Å; I783-A786 VanDerWaalsContact O-N 3.08Å
787I97.9Very high98.2Very high19 Ų1932.7 Ų32.710%0.09720%0.202CC..SBendtrans-133.774.7179.1-38.4175.9000108.7A723 K724 H727 I783 G789 F790A723-I787 HydrophobicContact CB-CD1 4.17Å; K724-I787 HydrophobicContact CB-CD1 4.38Å; K724-I787 HydrophobicContact CG-CD1 3.73Å; K724-I787 HydrophobicContact CG-CG1 4.1Å; H727-I787 HydrophobicContact CB-CD1 4.37Å; I783-I787 PolarHBondContact O-N 3.12Å; I787-G789 PolarHBondContact O-N 3.45Å; I787-F790 HydrophobicContact CB-CB 3.83Å; I787-F790 HydrophobicContact CB-CD1 4.32Å; I787-F790 HydrophobicContact CB-CG 4.41Å; I787-F790 HydrophobicContact CD1-CD1 3.95Å; I787-F790 HydrophobicContact CD1-CE1 4.35Å; I787-F790 HydrophobicContact CG2-CB 3.54Å; I787-F790 HydrophobicContact CG2-CD1 4.28Å; I787-F790 HydrophobicContact CG2-CG 4.03Å; I787-F790 VanDerWaalsContact O-CB 3.23Å; I787-F790 WeakPolarHBondContact O-CB 3.16Å; I787-F790 PolarHBondContact O-N 2.95Å; I787-F790 VanDerWaalsContact O-N 3.09Å
788P96.8Very high98.2Very high108 Ų10831 Ų3170%0.70119%0.193SC*.THydrogen-bonded Turntrans-57133.4-176-25.735.6000112.5F790P788-F790 PolarHBondContact O-N 2.77Å
789G93.7Very high98.2Very high82 Ų8225.4 Ų25.485%0.84517%0.17SC*.THydrogen-bonded Turntrans80.1-5.4-17900000114.9I787 P791I787-G789 PolarHBondContact O-N 3.45Å; G789-P791 VanDerWaalsContact O-CD 3.27Å; G789-P791 WeakPolarHBondContact O-CD 3.24Å
790F98.3Very high98.2Very high13 Ų1325.4 Ų25.46%0.05717%0.17CC..  trans-72.8119.4173.6-172.4-134.1000110.5H727 A731 G733 V734 I783 I787 P788 V792H727-F790 HydrophobicContact CB-CE1 4.01Å; H727-F790 HydrophobicContact CB-CE2 4.03Å; H727-F790 HydrophobicContact CB-CZ 3.74Å; H727-F790 AromaticContact CE1-CD2 3.94Å; H727-F790 AromaticContact CG-CE2 3.95Å; H727-F790 AromaticContact ND1-CD2 3.29Å; H727-F790 VanDerWaalsContact ND1-CD2 3.29Å; H727-F790 WeakPolarHBondContact ND1-CD2 3.45Å; H727-F790 AromaticContact ND1-CE2 3.21Å; H727-F790 WeakPolarHBondContact ND1-CE2 3.33Å; H727-F790 AromaticContact ND1-CZ 3.87Å; A731-F790 WeakPolarHBondContact O-CE2 3.43Å; G733-F790 VanDerWaalsContact CA-CZ 3.46Å; V734-F790 HydrophobicContact CB-CE1 4.25Å; V734-F790 HydrophobicContact CG1-CE1 3.58Å; V734-F790 HydrophobicContact CG1-CZ 3.91Å; V734-F790 HydrophobicContact CG2-CD1 4.27Å; V734-F790 HydrophobicContact CG2-CE1 3.87Å; I783-F790 HydrophobicContact CG2-CD1 4.47Å; I787-F790 HydrophobicContact CB-CB 3.83Å; I787-F790 HydrophobicContact CB-CD1 4.32Å; I787-F790 HydrophobicContact CB-CG 4.41Å; I787-F790 HydrophobicContact CD1-CD1 3.95Å; I787-F790 HydrophobicContact CD1-CE1 4.35Å; I787-F790 HydrophobicContact CG2-CB 3.54Å; I787-F790 HydrophobicContact CG2-CD1 4.28Å; I787-F790 HydrophobicContact CG2-CG 4.03Å; I787-F790 VanDerWaalsContact O-CB 3.23Å; I787-F790 WeakPolarHBondContact O-CB 3.16Å; I787-F790 PolarHBondContact O-N 2.95Å; I787-F790 VanDerWaalsContact O-N 3.09Å; P788-F790 PolarHBondContact O-N 2.77Å; F790-V792 PolarHBondContact O-N 2.68Å
791P98.5Very high98.2Very high24 Ų2425.5 Ų25.516%0.15617%0.171CC..  trans-58.5132.4-175.6-30.339.3000113.8V539 C540 D732 G733 V734 G789V539-P791 HydrophobicContact CG1-CB 3.72Å; V539-P791 HydrophobicContact CG1-CG 4.2Å; C540-P791 VanDerWaalsContact SG-CG 3.58Å; D732-P791 VanDerWaalsContact O-CD 3.22Å; D732-P791 WeakPolarHBondContact O-CD 3.08Å; D732-P791 WeakPolarHBondContact O-CG 3.44Å; G733-P791 CarbonylContact C-O 3.57Å; G733-P791 WeakPolarHBondContact CA-O 3.39Å; V734-P791 PolarHBondContact N-O 3Å; G789-P791 VanDerWaalsContact O-CD 3.27Å; G789-P791 WeakPolarHBondContact O-CD 3.24Å
792V98.9Very high98.2Very high0 Ų027.1 Ų27.10%018%0.177CC..EExtended strand (participates in β ladder)trans-122.1122.8175.9-177.30000110.2V734 A736 V780 I783 F790 A812 S813V734-V792 HydrophobicContact CG2-CG2 4.12Å; V734-V792 CarbonylContact O-C 3.54Å; V734-V792 WeakPolarHBondContact O-CA 3.45Å; A736-V792 HydrophobicContact CB-CG1 3.93Å; V780-V792 HydrophobicContact CB-CG1 4.47Å; V780-V792 HydrophobicContact CG1-CG1 4.16Å; V780-V792 HydrophobicContact CG2-CG1 3.98Å; I783-V792 HydrophobicContact CG2-CG2 3.84Å; F790-V792 PolarHBondContact O-N 2.68Å; V792-A812 CarbonylContact O-C 3.5Å; V792-A812 WeakPolarHBondContact O-CA 3.41Å; V792-S813 PolarHBondContact O-N 2.78Å
793L98.9Very high98.2Very high1 Ų125.7 Ų25.71%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-92.3108.7167.9-63.379.3000107.5I640 F709 V734 T735 A736 V814I640-L793 HydrophobicContact CD1-CD2 4Å; F709-L793 HydrophobicContact CB-CD1 4.17Å; F709-L793 HydrophobicContact CD1-CD1 3.43Å; F709-L793 VanDerWaalsContact CD1-CD1 3.43Å; F709-L793 HydrophobicContact CD2-CD1 4.02Å; F709-L793 HydrophobicContact CD2-CD2 4.09Å; F709-L793 HydrophobicContact CE1-CD1 3.72Å; F709-L793 HydrophobicContact CE2-CD1 4.27Å; F709-L793 HydrophobicContact CE2-CD2 4.29Å; F709-L793 HydrophobicContact CG-CD1 3.58Å; F709-L793 HydrophobicContact CG-CD2 4.41Å; F709-L793 HydrophobicContact CZ-CD1 4.13Å; V734-L793 PolarHBondContact O-N 3.15Å; T735-L793 CarbonylContact C-O 3.57Å; T735-L793 VanDerWaalsContact CA-O 3.25Å; T735-L793 WeakPolarHBondContact CA-O 3.01Å; T735-L793 HydrophobicContact CG2-CB 4.35Å; T735-L793 WeakPolarHBondContact CG2-O 3.11Å; A736-L793 PolarHBondContact N-O 3.26Å; L793-V814 HydrophobicContact CB-CG2 4Å; L793-V814 HydrophobicContact CD2-CG2 3.81Å; L793-V814 HydrophobicContact CG-CG2 3.46Å; L793-V814 VanDerWaalsContact CG-CG2 3.46Å
794A98.8Very high98.2Very high0 Ų025.7 Ų25.70%017%0.165CC..EExtended strand (participates in β ladder)trans-78.3141.9-17700000111.9A736 V780 I798 F807 A812 V814 L815 Q816A736-A794 CarbonylContact O-C 3.58Å; A736-A794 WeakPolarHBondContact O-CA 3.35Å; V780-A794 HydrophobicContact CG2-CB 4.08Å; A794-I798 HydrophobicContact CB-CD1 4.09Å; A794-F807 HydrophobicContact CB-CB 3.85Å; A794-F807 HydrophobicContact CB-CD1 3.43Å; A794-F807 VanDerWaalsContact CB-CD1 3.43Å; A794-F807 HydrophobicContact CB-CE1 4.11Å; A794-F807 HydrophobicContact CB-CG 3.77Å; A794-A812 HydrophobicContact CB-CB 3.53Å; A794-V814 PolarHBondContact N-O 2.96Å; A794-L815 HydrophobicContact CB-CD2 4.17Å; A794-Q816 PolarHBondContact O-N 2.81Å
795T98.8Very high98.3Very high14 Ų1425.7 Ų25.79%0.08616%0.163CC..EExtended strand (participates in β ladder)trans-153.5140.3165.9-166.60000111.5T735 A736 T737 Q816T735-T795 HydrophobicContact CG2-CG2 3.77Å; A736-T795 CarbonylContact C-O 3.6Å; A736-T795 PolarHBondContact O-N 3.22Å; T737-T795 PolarHBondContact N-O 3.17Å; T737-T795 WeakPolarHBondContact O-CG2 3.4Å; T795-Q816 PolarHBondContact OG1-O 2.99Å
796G97.9Very high98.3Very high6 Ų623.5 Ų23.56%0.06216%0.158CC..SBendtrans136.989.5-17600000112.5R773 I798 F807R773-G796 WeakPolarHBondContact CA-O 3.37Å; G796-I798 PolarHBondContact O-N 3.2Å; G796-F807 WeakPolarHBondContact O-CZ 3.43Å
797G98.3Very high98.3Very high8 Ų821.4 Ų21.48%0.08214%0.141CC..SBendtrans70.427.817500000115.1G769 N770 R773G769-G797 VanDerWaalsContact C-CA 3.46Å; G769-G797 WeakPolarHBondContact O-CA 3.33Å; N770-G797 PolarHBondContact OD1-O 3.29Å; R773-G797 PolarHBondContact NE-O 3.02Å; R773-G797 PolarHBondContact NH2-O 2.82Å
798I98.9Very high98.4Very high5 Ų520.5 Ų20.53%0.02614%0.136CC..  trans-77.9122.6167.6-58.5170.1000107.5A794 G796 F807 L815 V817A794-I798 HydrophobicContact CB-CD1 4.09Å; G796-I798 PolarHBondContact O-N 3.2Å; I798-F807 HydrophobicContact CD1-CD2 3.8Å; I798-F807 HydrophobicContact CD1-CE2 4.1Å; I798-F807 HydrophobicContact CD1-CG 4.17Å; I798-F807 HydrophobicContact CG1-CD2 3.45Å; I798-F807 VanDerWaalsContact CG1-CD2 3.45Å; I798-F807 HydrophobicContact CG1-CE2 3.43Å; I798-F807 VanDerWaalsContact CG1-CE2 3.43Å; I798-F807 HydrophobicContact CG1-CG 4.31Å; I798-F807 HydrophobicContact CG1-CZ 4.27Å; I798-L815 HydrophobicContact CD1-CB 3.93Å; I798-L815 HydrophobicContact CD1-CD2 4.01Å; I798-V817 HydrophobicContact CB-CG2 4.34Å; I798-V817 HydrophobicContact CG2-CG2 4.07Å
799D98.6Very high98.5Very high33 Ų3317.3 Ų17.318%0.17611%0.112CC..  trans-142.1-1.1-172.768.4-16.5000114.6N108 N770 R773 S803 A820 Y832N108-D799 PolarHBondContact ND2-O 3.18Å; N770-D799 PolarHBondContact ND2-OD2 3.18Å; N770-D799 PolarHBondContact OD1-OD2 3.31Å; R773-D799 IonicContact CZ-OD1 2.57Å; R773-D799 IonicContact NH2-OD1 2.68Å; R773-D799 PolarHBondContact NH2-OD1 2.87Å; R773-D799 IonicContact NH2-OD2 2.99Å; R773-D799 PolarHBondContact NH2-OD2 3.07Å; D799-S803 PolarHBondContact N-OG 2.9Å; D799-S803 PolarHBondContact OD1-OG 3.28Å; D799-A820 HydrophobicContact CB-CB 3.9Å; D799-Y832 WeakPolarHBondContact CA-OH 3.49Å; D799-Y832 WeakPolarHBondContact O-CE1 3.41Å; D799-Y832 PolarHBondContact O-OH 3.21Å
800S98.9Very high98.7Very high5 Ų513.7 Ų13.74%0.0357%0.074CC..SBendtrans-155.2169.1178.870.20000111.1N108 E802 S803 G804N108-S800 WeakPolarHBondContact O-CB 3.43Å; S800-E802 VanDerWaalsContact C-N 3.27Å; S800-E802 PolarHBondContact O-N 3.16Å; S800-E802 PolarHBondContact OG-N 3.44Å; S800-S803 PolarHBondContact N-OG 3.07Å; S800-S803 PolarHBondContact O-OG 2.92Å; S800-S803 PolarHBondContact OG-N 3.47Å; S800-S803 PolarHBondContact OG-OG 3.16Å; S800-G804 PolarHBondContact O-N 3.27Å
801A98.9Very high98.7Very high2 Ų213.4 Ų13.42%0.0178%0.075CC..Hα-helixtrans-60.5-37.1168.500000112.7G804 L805 Y832 L836 L839A801-G804 PolarHBondContact O-N 3.42Å; A801-L805 WeakPolarHBondContact O-CB 3.27Å; A801-L805 PolarHBondContact O-N 3.37Å; A801-Y832 WeakPolarHBondContact CB-O 3.37Å; A801-L836 HydrophobicContact CB-CB 4.23Å; A801-L836 VanDerWaalsContact CB-N 3.25Å; A801-L839 HydrophobicContact CB-CD1 4.1Å
802E98.8Very high98.7Very high47 Ų4712.2 Ų12.222%0.227%0.067CC..Hα-helixtrans-64.9-49.8178.5-175.3-169.2-113.100111K109 S800 G804 L805 Q806 L839K109-E802 VanDerWaalsContact CD-OE1 3.23Å; K109-E802 WeakPolarHBondContact CD-OE1 3.41Å; K109-E802 IonicContact NZ-OE1 2.97Å; S800-E802 VanDerWaalsContact C-N 3.27Å; S800-E802 PolarHBondContact O-N 3.16Å; S800-E802 PolarHBondContact OG-N 3.44Å; E802-G804 VanDerWaalsContact C-N 3.31Å; E802-G804 PolarHBondContact O-N 3.04Å; E802-L805 PolarHBondContact O-N 3.11Å; E802-Q806 WeakPolarHBondContact O-CG 3.47Å; E802-Q806 PolarHBondContact O-N 3.49Å; E802-Q806 VanDerWaalsContact O-N 3.09Å; E802-L839 HydrophobicContact CB-CD1 4.38Å
803S98.8Very high98.7Very high0 Ų013.1 Ų13.10%07%0.073CC..Hα-helixtrans-66.7-34.9176.862.20000111.5D799 S800 Q806 F807D799-S803 PolarHBondContact N-OG 2.9Å; D799-S803 PolarHBondContact OD1-OG 3.28Å; S800-S803 PolarHBondContact N-OG 3.07Å; S800-S803 PolarHBondContact O-OG 2.92Å; S800-S803 PolarHBondContact OG-N 3.47Å; S800-S803 PolarHBondContact OG-OG 3.16Å; S803-Q806 WeakPolarHBondContact O-CB 3.28Å; S803-Q806 PolarHBondContact O-N 2.95Å; S803-F807 WeakPolarHBondContact O-CD2 3.35Å; S803-F807 PolarHBondContact O-N 3.26Å
804G98.9Very high98.7Very high0 Ų013.1 Ų13.10%07%0.073CC..Hα-helixtrans-58.4-47.217000000113.4S800 A801 E802 Q806 F807 L808S800-G804 PolarHBondContact O-N 3.27Å; A801-G804 PolarHBondContact O-N 3.42Å; E802-G804 VanDerWaalsContact C-N 3.31Å; E802-G804 PolarHBondContact O-N 3.04Å; G804-Q806 VanDerWaalsContact C-N 3.27Å; G804-Q806 PolarHBondContact O-N 3.15Å; G804-F807 PolarHBondContact O-N 2.93Å; G804-F807 VanDerWaalsContact O-N 3.09Å; G804-L808 PolarHBondContact O-N 2.89Å
805L98.9Very high98.7Very high11 Ų1113.1 Ų13.16%0.0587%0.073CC..Hα-helixtrans-62.6-32.9177.1-178.262.1000112.3A801 E802 F807 L808 H809 L836 L839 V927A801-L805 WeakPolarHBondContact O-CB 3.27Å; A801-L805 PolarHBondContact O-N 3.37Å; E802-L805 PolarHBondContact O-N 3.11Å; L805-F807 VanDerWaalsContact C-N 3.32Å; L805-F807 PolarHBondContact O-N 2.92Å; L805-L808 HydrophobicContact CD1-CB 4.48Å; L805-L808 HydrophobicContact CD1-CD1 4.31Å; L805-L808 PolarHBondContact O-N 3.08Å; L805-H809 WeakPolarHBondContact O-CB 3.33Å; L805-H809 PolarHBondContact O-N 3.48Å; L805-H809 PolarHBondContact O-ND1 3.31Å; L805-L836 HydrophobicContact CB-CD1 4.42Å; L805-L836 HydrophobicContact CD1-CD1 4.31Å; L805-L839 HydrophobicContact CB-CD1 4.36Å; L805-L839 HydrophobicContact CD2-CB 3.98Å; L805-L839 HydrophobicContact CD2-CD1 4Å; L805-L839 HydrophobicContact CD2-CG 4.42Å; L805-V927 HydrophobicContact CD1-CB 4.33Å; L805-V927 HydrophobicContact CD1-CG2 3.89Å
806Q98.9Very high98.7Very high72 Ų7212.5 Ų12.534%0.3367%0.069SC..Hα-helixtrans-60-42.8172.8-66.4171.121.400111.5L777 E802 S803 G804 H809 A810L777-Q806 HydrophobicContact CD2-CB 4.24Å; E802-Q806 WeakPolarHBondContact O-CG 3.47Å; E802-Q806 PolarHBondContact O-N 3.49Å; E802-Q806 VanDerWaalsContact O-N 3.09Å; S803-Q806 WeakPolarHBondContact O-CB 3.28Å; S803-Q806 PolarHBondContact O-N 2.95Å; G804-Q806 VanDerWaalsContact C-N 3.27Å; G804-Q806 PolarHBondContact O-N 3.15Å; Q806-H809 PolarHBondContact O-N 2.86Å; Q806-A810 WeakPolarHBondContact O-CB 3.42Å; Q806-A810 PolarHBondContact O-N 2.88Å
807F98.9Very high98.8Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-68.7-38177-81.5-80.2000112.8R773 A776 L777 V780 A794 G796 I798 S803 G804 L805 A810 G811 A812 L815R773-F807 HydrophobicContact CG-CE2 3.91Å; R773-F807 HydrophobicContact CG-CZ 4.06Å; A776-F807 HydrophobicContact CB-CE1 3.83Å; A776-F807 HydrophobicContact CB-CZ 3.79Å; L777-F807 HydrophobicContact CD2-CD1 3.75Å; L777-F807 HydrophobicContact CD2-CD2 4.06Å; L777-F807 HydrophobicContact CD2-CE1 3.79Å; L777-F807 HydrophobicContact CD2-CE2 4.08Å; L777-F807 HydrophobicContact CD2-CG 3.91Å; L777-F807 HydrophobicContact CD2-CZ 3.96Å; L777-F807 HydrophobicContact CG-CD1 4.42Å; L777-F807 HydrophobicContact CG-CE1 3.95Å; L777-F807 HydrophobicContact CG-CE2 4.19Å; L777-F807 HydrophobicContact CG-CZ 3.82Å; V780-F807 HydrophobicContact CB-CD1 4.33Å; V780-F807 HydrophobicContact CG1-CD1 4.47Å; V780-F807 HydrophobicContact CG2-CD1 3.91Å; V780-F807 HydrophobicContact CG2-CE1 4.04Å; A794-F807 HydrophobicContact CB-CB 3.85Å; A794-F807 HydrophobicContact CB-CD1 3.43Å; A794-F807 VanDerWaalsContact CB-CD1 3.43Å; A794-F807 HydrophobicContact CB-CE1 4.11Å; A794-F807 HydrophobicContact CB-CG 3.77Å; G796-F807 WeakPolarHBondContact O-CZ 3.43Å; I798-F807 HydrophobicContact CD1-CD2 3.8Å; I798-F807 HydrophobicContact CD1-CE2 4.1Å; I798-F807 HydrophobicContact CD1-CG 4.17Å; I798-F807 HydrophobicContact CG1-CD2 3.45Å; I798-F807 VanDerWaalsContact CG1-CD2 3.45Å; I798-F807 HydrophobicContact CG1-CE2 3.43Å; I798-F807 VanDerWaalsContact CG1-CE2 3.43Å; I798-F807 HydrophobicContact CG1-CG 4.31Å; I798-F807 HydrophobicContact CG1-CZ 4.27Å; S803-F807 WeakPolarHBondContact O-CD2 3.35Å; S803-F807 PolarHBondContact O-N 3.26Å; G804-F807 PolarHBondContact O-N 2.93Å; G804-F807 VanDerWaalsContact O-N 3.09Å; L805-F807 VanDerWaalsContact C-N 3.32Å; L805-F807 PolarHBondContact O-N 2.92Å; F807-A810 PolarHBondContact O-N 3Å; F807-G811 PolarHBondContact O-N 2.85Å; F807-G811 VanDerWaalsContact O-N 3.16Å; F807-A812 HydrophobicContact CB-CB 4.29Å; F807-A812 WeakPolarHBondContact O-CB 3.48Å; F807-A812 PolarHBondContact O-N 3.23Å; F807-L815 HydrophobicContact CB-CD2 3.6Å
808L98.9Very high98.8Very high0 Ų012.9 Ų12.90%07%0.07CC..Hα-helixtrans-59.1-51.9171.7-63.8175.1000110.4G804 L805 A810 G811 A812 L815 L836 V924 V927 I928 A929G804-L808 PolarHBondContact O-N 2.89Å; L805-L808 HydrophobicContact CD1-CB 4.48Å; L805-L808 HydrophobicContact CD1-CD1 4.31Å; L805-L808 PolarHBondContact O-N 3.08Å; L808-A810 PolarHBondContact O-N 2.89Å; L808-G811 PolarHBondContact O-N 2.93Å; L808-A812 WeakPolarHBondContact CA-O 3.35Å; L808-A812 WeakPolarHBondContact CD2-O 3.31Å; L808-L815 HydrophobicContact CD2-CD2 4.21Å; L808-L815 HydrophobicContact CD2-CG 4.37Å; L808-L815 HydrophobicContact CG-CD1 4.31Å; L808-L815 HydrophobicContact CG-CD2 4.33Å; L808-L836 HydrophobicContact CD1-CD1 4.33Å; L808-V924 HydrophobicContact CD1-CG1 4.04Å; L808-V924 HydrophobicContact CD2-CG1 4.09Å; L808-V927 HydrophobicContact CB-CG2 4.43Å; L808-V927 HydrophobicContact CD1-CG2 4.46Å; L808-I928 CarbonylContact O-C 3.55Å; L808-I928 VanDerWaalsContact O-CA 3.28Å; L808-I928 WeakPolarHBondContact O-CA 3.39Å; L808-A929 PolarHBondContact O-N 3.27Å
809H98.8Very high98.8Very high40 Ų4013.2 Ų13.219%0.1857%0.072CC..Hα-helixtrans-58.8-31.5175.5-71.3153.2000113.1L805 Q806 G811 V927 A929 R930 A931L805-H809 WeakPolarHBondContact O-CB 3.33Å; L805-H809 PolarHBondContact O-N 3.48Å; L805-H809 PolarHBondContact O-ND1 3.31Å; Q806-H809 PolarHBondContact O-N 2.86Å; H809-G811 VanDerWaalsContact C-N 3.25Å; H809-G811 PolarHBondContact O-N 2.83Å; H809-V927 PolarHBondContact CD2-O 3.17Å; H809-V927 VanDerWaalsContact CD2-O 3.25Å; H809-A929 CarbonylContact O-C 3Å; H809-A929 WeakPolarHBondContact O-CA 3.45Å; H809-A929 PolarHBondContact O-N 3.12Å; H809-R930 PolarHBondContact O-N 3.12Å; H809-A931 HydrophobicContact CB-CB 3.89Å; H809-A931 WeakPolarHBondContact O-CB 3.26Å; H809-A931 PolarHBondContact O-N 3.02Å
810A98.8Very high98.8Very high6 Ų612.1 Ų12.15%0.057%0.068CC..Hα-helixtrans-75.2-10.4175.800000113.7L777 V780 S781 Q806 F807 L808 L932L777-A810 HydrophobicContact CD2-CB 4.13Å; V780-A810 HydrophobicContact CG1-CB 3.99Å; S781-A810 WeakPolarHBondContact CA-O 3.35Å; Q806-A810 WeakPolarHBondContact O-CB 3.42Å; Q806-A810 PolarHBondContact O-N 2.88Å; F807-A810 PolarHBondContact O-N 3Å; L808-A810 PolarHBondContact O-N 2.89Å; A810-L932 WeakPolarHBondContact O-CD2 3.4Å
811G98.4Very high98.8Very high7 Ų712.5 Ų12.57%0.0727%0.069CC..THydrogen-bonded Turntrans1164.717400000115.6F807 L808 H809F807-G811 PolarHBondContact O-N 2.85Å; F807-G811 VanDerWaalsContact O-N 3.16Å; L808-G811 PolarHBondContact O-N 2.93Å; H809-G811 VanDerWaalsContact C-N 3.25Å; H809-G811 PolarHBondContact O-N 2.83Å
812A98.8Very high98.8Very high0 Ų015 Ų150%08%0.081CC..  trans-75.7153.5171.400000112.1V780 V792 A794 F807 L808V780-A812 HydrophobicContact CG1-CB 3.98Å; V792-A812 CarbonylContact O-C 3.5Å; V792-A812 WeakPolarHBondContact O-CA 3.41Å; A794-A812 HydrophobicContact CB-CB 3.53Å; F807-A812 HydrophobicContact CB-CB 4.29Å; F807-A812 WeakPolarHBondContact O-CB 3.48Å; F807-A812 PolarHBondContact O-N 3.23Å; L808-A812 WeakPolarHBondContact CA-O 3.35Å; L808-A812 WeakPolarHBondContact CD2-O 3.31Å
813S98.6Very high98.8Very high18 Ų1814.5 Ų14.513%0.1268%0.08CC..SBendtrans-102.6-35.3176.1-49.80000112.6V539 V792V539-S813 VanDerWaalsContact CG2-CB 3.48Å; V792-S813 PolarHBondContact O-N 2.78Å
814V98.9Very high98.7Very high1 Ų116.6 Ų16.61%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-139.1164.5176.6-62.40000111V537 V539 F544 P547 F572 L793 A794V537-V814 HydrophobicContact CG1-CG1 3.83Å; V539-V814 HydrophobicContact CG2-CG1 4.06Å; F544-V814 HydrophobicContact CD1-CG1 3.95Å; F544-V814 HydrophobicContact CD2-CG1 4.1Å; F544-V814 HydrophobicContact CE1-CG1 4.13Å; F544-V814 HydrophobicContact CE2-CG1 4.3Å; F544-V814 HydrophobicContact CG-CG1 3.94Å; F544-V814 HydrophobicContact CZ-CG1 4.31Å; P547-V814 CarbonylContact O-C 3.59Å; P547-V814 WeakPolarHBondContact O-CA 3.2Å; F572-V814 HydrophobicContact CE1-CB 3.78Å; F572-V814 HydrophobicContact CE1-CG1 4.45Å; F572-V814 HydrophobicContact CE1-CG2 4.15Å; F572-V814 HydrophobicContact CZ-CB 4.03Å; F572-V814 HydrophobicContact CZ-CG2 3.93Å; L793-V814 HydrophobicContact CB-CG2 4Å; L793-V814 HydrophobicContact CD2-CG2 3.81Å; L793-V814 HydrophobicContact CG-CG2 3.46Å; L793-V814 VanDerWaalsContact CG-CG2 3.46Å; A794-V814 PolarHBondContact N-O 2.96Å
815L98.9Very high98.7Very high0 Ų018.8 Ų18.80%010%0.101CC..EExtended strand (participates in β ladder)trans-132.3107.6-158.6-54.2175.1000109.9P547 F548 G549 A794 I798 F807 L808P547-L815 HydrophobicContact CB-CD1 4.47Å; P547-L815 HydrophobicContact CB-CG 4.5Å; P547-L815 HydrophobicContact CG-CD1 4.37Å; P547-L815 WeakPolarHBondContact O-CB 3.32Å; P547-L815 PolarHBondContact O-N 3.23Å; F548-L815 HydrophobicContact CD1-CB 4.11Å; F548-L815 HydrophobicContact CD1-CD1 3.77Å; F548-L815 HydrophobicContact CE1-CD1 3.43Å; F548-L815 VanDerWaalsContact CE1-CD1 3.43Å; F548-L815 HydrophobicContact CZ-CD1 4.1Å; G549-L815 PolarHBondContact N-O 3.21Å; A794-L815 HydrophobicContact CB-CD2 4.17Å; I798-L815 HydrophobicContact CD1-CB 3.93Å; I798-L815 HydrophobicContact CD1-CD2 4.01Å; F807-L815 HydrophobicContact CB-CD2 3.6Å; L808-L815 HydrophobicContact CD2-CD2 4.21Å; L808-L815 HydrophobicContact CD2-CG 4.37Å; L808-L815 HydrophobicContact CG-CD1 4.31Å; L808-L815 HydrophobicContact CG-CD2 4.33Å
816Q98.9Very high98.7Very high1 Ų119.2 Ų19.21%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-92.2133.2177.2-38.2179.2-0.300112.1G549 A551 F572 L574 E668 K711 T735 A794 T795G549-Q816 CarbonylContact O-C 3.12Å; G549-Q816 VanDerWaalsContact O-CA 3.31Å; G549-Q816 WeakPolarHBondContact O-CA 3.26Å; A551-Q816 HydrophobicContact CB-CB 3.73Å; F572-Q816 HydrophobicContact CE2-CG 3.99Å; F572-Q816 HydrophobicContact CZ-CG 3.94Å; L574-Q816 HydrophobicContact CD1-CG 4.05Å; E668-Q816 PolarHBondContact OE2-NE2 3.31Å; K711-Q816 VanDerWaalsContact NZ-OE1 3.16Å; T735-Q816 PolarHBondContact OG1-NE2 3.02Å; A794-Q816 PolarHBondContact O-N 2.81Å; T795-Q816 PolarHBondContact OG1-O 2.99Å
817V98.9Very high98.7Very high2 Ų218.1 Ų18.11%0.01210%0.101CC..EExtended strand (participates in β ladder)trans-118.1139.8-174.8-175.70000111.1G549 A551 W570 I798 A820 I821 Y832G549-V817 PolarHBondContact O-N 3.15Å; A551-V817 PolarHBondContact N-O 2.65Å; W570-V817 HydrophobicContact CH2-CB 3.8Å; W570-V817 HydrophobicContact CH2-CG1 4.07Å; W570-V817 HydrophobicContact CH2-CG2 4.04Å; W570-V817 HydrophobicContact CZ3-CB 3.92Å; W570-V817 HydrophobicContact CZ3-CG2 3.95Å; I798-V817 HydrophobicContact CB-CG2 4.34Å; I798-V817 HydrophobicContact CG2-CG2 4.07Å; V817-A820 HydrophobicContact CG1-CB 3.8Å; V817-I821 HydrophobicContact CB-CD1 4.35Å; V817-I821 HydrophobicContact CG1-CD1 4.07Å; V817-I821 HydrophobicContact CG1-CG1 4.07Å; V817-Y832 HydrophobicContact CG1-CE2 4.29Å; V817-Y832 HydrophobicContact CG2-CE2 4.12Å
818C98.8Very high98.7Very high21 Ų2118.5 Ų18.514%0.14210%0.103CC..SBendtrans-137.2-69.6173.3173.70000111.4A551 A553 A820 I821 Q822A551-C818 HydrophobicContact CB-CB 4.19Å; A553-C818 HydrophobicContact CB-CB 3.91Å; A553-C818 WeakPolarHBondContact CB-SG 3.23Å; C818-A820 VanDerWaalsContact C-N 3.27Å; C818-A820 PolarHBondContact O-N 3.45Å; C818-I821 WeakPolarHBondContact O-CB 3.46Å; C818-I821 PolarHBondContact O-N 3.44Å; C818-Q822 PolarHBondContact O-N 2.97Å; C818-Q822 VanDerWaalsContact O-N 3.09Å; C818-Q822 PolarHBondContact SG-OE1 3.08Å
819S98.7Very high98.7Very high11 Ų1118.6 Ų18.68%0.07710%0.104CC..Hα-helixtrans-63.6-29.4-168.8-490000113.8S768 G769 I821 Q822 N823S768-S819 WeakPolarHBondContact CB-OG 3.14Å; S768-S819 PolarHBondContact OG-OG 2.98Å; S768-S819 VanDerWaalsContact OG-OG 3.09Å; G769-S819 WeakPolarHBondContact CA-OG 3.25Å; G769-S819 PolarHBondContact N-OG 2.84Å; G769-S819 VanDerWaalsContact N-OG 3.08Å; S819-I821 VanDerWaalsContact C-N 3.33Å; S819-Q822 PolarHBondContact O-N 3.14Å; S819-N823 PolarHBondContact O-N 3.25Å; S819-N823 PolarHBondContact O-ND2 2.86Å
820A98.7Very high98.7Very high11 Ų1121 Ų219%0.09112%0.115CC..Hα-helixtrans-64.5-39.3174.900000111.8D799 V817 C818 N823 Q824 L828 Y832D799-A820 HydrophobicContact CB-CB 3.9Å; V817-A820 HydrophobicContact CG1-CB 3.8Å; C818-A820 VanDerWaalsContact C-N 3.27Å; C818-A820 PolarHBondContact O-N 3.45Å; A820-N823 WeakPolarHBondContact O-CB 3.37Å; A820-N823 PolarHBondContact O-N 3.35Å; A820-Q824 WeakPolarHBondContact O-CB 3.41Å; A820-Q824 PolarHBondContact O-N 3.2Å; A820-Q824 VanDerWaalsContact O-N 3.16Å; A820-L828 HydrophobicContact CB-CD1 4.08Å; A820-L828 WeakPolarHBondContact O-CD1 3.36Å; A820-Y832 VanDerWaalsContact CB-OH 3.24Å; A820-Y832 WeakPolarHBondContact CB-OH 3.32Å
821I98.7Very high98.7Very high12 Ų1221.2 Ų21.26%0.06212%0.115CC..Hα-helixtrans-70.3-36.5174.4-58.3160.2000110.5L550 P555 W570 V817 C818 S819 N823 Q824 D825 F826L550-I821 HydrophobicContact CD2-CD1 3.21Å; P555-I821 HydrophobicContact CB-CB 4.43Å; P555-I821 HydrophobicContact CB-CD1 4.19Å; P555-I821 HydrophobicContact CB-CG2 4.07Å; P555-I821 HydrophobicContact CG-CB 4.07Å; P555-I821 HydrophobicContact CG-CD1 4.37Å; P555-I821 HydrophobicContact CG-CG2 4.08Å; W570-I821 HydrophobicContact CH2-CD1 3.72Å; W570-I821 HydrophobicContact CH2-CG1 4.12Å; W570-I821 HydrophobicContact CZ2-CD1 3.65Å; W570-I821 HydrophobicContact CZ2-CG1 3.89Å; V817-I821 HydrophobicContact CB-CD1 4.35Å; V817-I821 HydrophobicContact CG1-CD1 4.07Å; V817-I821 HydrophobicContact CG1-CG1 4.07Å; C818-I821 WeakPolarHBondContact O-CB 3.46Å; C818-I821 PolarHBondContact O-N 3.44Å; S819-I821 VanDerWaalsContact C-N 3.33Å; I821-N823 PolarHBondContact O-N 3.3Å; I821-Q824 CarbonylContact O-C 3.52Å; I821-Q824 PolarHBondContact O-N 3.4Å; I821-D825 PolarHBondContact O-N 2.98Å; I821-F826 HydrophobicContact CD1-CD1 4.4Å; I821-F826 HydrophobicContact CD1-CE1 4.49Å; I821-F826 HydrophobicContact CG2-CD1 3.81Å; I821-F826 HydrophobicContact CG2-CE1 3.82Å
822Q98.6Very high98.8Very high54 Ų5420.9 Ų20.925%0.25211%0.112SC..Hα-helixtrans-64.8-30.6174.1-64-179.4-80.600112.7P555 F609 C818 S819 Q824P555-Q822 HydrophobicContact CG-CG 4.28Å; F609-Q822 HydrophobicContact CE2-CB 4.02Å; F609-Q822 HydrophobicContact CZ-CB 4.11Å; C818-Q822 PolarHBondContact O-N 2.97Å; C818-Q822 VanDerWaalsContact O-N 3.09Å; C818-Q822 PolarHBondContact SG-OE1 3.08Å; S819-Q822 PolarHBondContact O-N 3.14Å; Q822-Q824 VanDerWaalsContact C-N 3.27Å
823N98.3Very high98.8Very high38 Ų3821.7 Ų21.720%0.20312%0.117CC..THydrogen-bonded Turntrans-75-15.8171-87.4-45.6000112.9L606 S819 A820 I821L606-N823 VanDerWaalsContact CB-OD1 3.24Å; L606-N823 WeakPolarHBondContact CB-OD1 3.24Å; L606-N823 WeakPolarHBondContact CG-OD1 3.39Å; L606-N823 PolarHBondContact N-ND2 3.3Å; L606-N823 PolarHBondContact N-OD1 3.02Å; L606-N823 PolarHBondContact O-ND2 2.94Å; L606-N823 VanDerWaalsContact O-ND2 3.07Å; S819-N823 PolarHBondContact O-N 3.25Å; S819-N823 PolarHBondContact O-ND2 2.86Å; A820-N823 WeakPolarHBondContact O-CB 3.37Å; A820-N823 PolarHBondContact O-N 3.35Å; I821-N823 PolarHBondContact O-N 3.3Å
824Q98.6Very high98.8Very high44 Ų4421.1 Ų21.121%0.20611%0.113CC..SBendtrans-148.2-118.9-169.6-164.357.963.800110.8K83 K100 A820 I821 Q822 L828K83-Q824 PolarHBondContact O-NE2 3.16Å; K100-Q824 VanDerWaalsContact CE-NE2 3.3Å; A820-Q824 WeakPolarHBondContact O-CB 3.41Å; A820-Q824 PolarHBondContact O-N 3.2Å; A820-Q824 VanDerWaalsContact O-N 3.16Å; I821-Q824 CarbonylContact O-C 3.52Å; I821-Q824 PolarHBondContact O-N 3.4Å; Q822-Q824 VanDerWaalsContact C-N 3.27Å; Q824-L828 HydrophobicContact CB-CD1 3.79Å; Q824-L828 HydrophobicContact CB-CD2 4.5Å; Q824-L828 HydrophobicContact CB-CG 4.15Å; Q824-L828 HydrophobicContact CG-CD1 4.24Å; Q824-L828 HydrophobicContact CG-CD2 4.17Å; Q824-L828 HydrophobicContact CG-CG 4.03Å
825D98.8Very high98.8Very high46 Ų4621.1 Ų21.125%0.24611%0.113CC..  trans-163.9-177.9-17556.370.3000111K100 I821 T827K100-D825 WeakPolarHBondContact CE-OD2 3.45Å; K100-D825 VanDerWaalsContact NZ-CG 3.31Å; K100-D825 IonicContact NZ-OD1 2.87Å; K100-D825 PolarHBondContact NZ-OD1 3.29Å; K100-D825 VanDerWaalsContact NZ-OD1 3.15Å; K100-D825 IonicContact NZ-OD2 2.73Å; K100-D825 PolarHBondContact NZ-OD2 2.73Å; I821-D825 PolarHBondContact O-N 2.98Å; D825-T827 VanDerWaalsContact C-N 3.27Å; D825-T827 PolarHBondContact O-N 3.34Å; D825-T827 WeakPolarHBondContact OD1-CB 3.38Å; D825-T827 WeakPolarHBondContact OD1-CG2 3.28Å; D825-T827 PolarHBondContact OD1-N 3.18Å; D825-T827 PolarHBondContact OD1-OG1 3.06Å
826F98.9Very high98.8Very high19 Ų1921.1 Ų21.18%0.08311%0.113CC..THydrogen-bonded Turntrans-70.3-15.2-174-64.8-46.4000114.6L550 P555 M561 A565 Q568 W570 I821 L828 I829L550-F826 HydrophobicContact CD1-CE1 3.89Å; L550-F826 HydrophobicContact CD1-CZ 4.49Å; L550-F826 HydrophobicContact CD2-CD1 4.34Å; L550-F826 HydrophobicContact CD2-CE1 4.23Å; P555-F826 HydrophobicContact CB-CE1 4.06Å; P555-F826 WeakPolarHBondContact O-CZ 3.26Å; M561-F826 HydrophobicContact CB-CE2 4.24Å; M561-F826 HydrophobicContact CB-CZ 4.05Å; M561-F826 HydrophobicContact CE-CZ 4.28Å; A565-F826 HydrophobicContact CB-CD1 4.09Å; A565-F826 HydrophobicContact CB-CD2 4.47Å; A565-F826 HydrophobicContact CB-CE1 4.27Å; A565-F826 HydrophobicContact CB-CG 4.22Å; Q568-F826 HydrophobicContact CG-CB 4.07Å; W570-F826 PolarHBondContact NE1-O 3.31Å; I821-F826 HydrophobicContact CD1-CD1 4.4Å; I821-F826 HydrophobicContact CD1-CE1 4.49Å; I821-F826 HydrophobicContact CG2-CD1 3.81Å; I821-F826 HydrophobicContact CG2-CE1 3.82Å; F826-L828 PolarHBondContact O-N 2.97Å; F826-I829 WeakPolarHBondContact O-CG2 3.48Å; F826-I829 PolarHBondContact O-N 3.18Å
827T98.8Very high98.8Very high49 Ų4923.3 Ų23.330%0.30112%0.122SC..THydrogen-bonded Turntrans-72.2-9.4-177.679.40000112.8K100 D825 I829 E830K100-T827 PolarHBondContact NZ-OG1 2.8Å; K100-T827 VanDerWaalsContact NZ-OG1 3.13Å; D825-T827 VanDerWaalsContact C-N 3.27Å; D825-T827 PolarHBondContact O-N 3.34Å; D825-T827 WeakPolarHBondContact OD1-CB 3.38Å; D825-T827 WeakPolarHBondContact OD1-CG2 3.28Å; D825-T827 PolarHBondContact OD1-N 3.18Å; D825-T827 PolarHBondContact OD1-OG1 3.06Å; T827-I829 PolarHBondContact O-N 3.09Å; T827-I829 VanDerWaalsContact O-N 3.08Å; T827-E830 PolarHBondContact O-N 3.07Å; T827-E830 VanDerWaalsContact O-N 3.16Å
828L98.8Very high98.8Very high8 Ų823.2 Ų23.24%0.04212%0.122CC..Hα-helixtrans-53.8-25172.3-77.3174.9000113.7T104 A820 Q824 F826 E830 D831 Y832T104-L828 HydrophobicContact CG2-CD2 3.54Å; A820-L828 HydrophobicContact CB-CD1 4.08Å; A820-L828 WeakPolarHBondContact O-CD1 3.36Å; Q824-L828 HydrophobicContact CB-CD1 3.79Å; Q824-L828 HydrophobicContact CB-CD2 4.5Å; Q824-L828 HydrophobicContact CB-CG 4.15Å; Q824-L828 HydrophobicContact CG-CD1 4.24Å; Q824-L828 HydrophobicContact CG-CD2 4.17Å; Q824-L828 HydrophobicContact CG-CG 4.03Å; F826-L828 PolarHBondContact O-N 2.97Å; L828-E830 VanDerWaalsContact C-N 3.27Å; L828-E830 PolarHBondContact O-N 3.48Å; L828-D831 WeakPolarHBondContact O-CB 3.27Å; L828-D831 PolarHBondContact O-N 3.01Å; L828-Y832 HydrophobicContact CB-CE1 4.19Å; L828-Y832 HydrophobicContact CB-CE2 4.19Å; L828-Y832 HydrophobicContact CD2-CE1 4.27Å; L828-Y832 VanDerWaalsContact O-CD1 3.26Å; L828-Y832 WeakPolarHBondContact O-CD1 3.16Å; L828-Y832 VanDerWaalsContact O-CG 3.25Å; L828-Y832 PolarHBondContact O-N 2.88Å
829I98.8Very high98.8Very high3 Ų322.8 Ų22.82%0.01512%0.118CC..Hα-helixtrans-61.3-36178.8-173.660.4000113.1F548 Q568 W570 F826 T827 D831 Y832 C833F548-I829 HydrophobicContact CB-CD1 3.59Å; F548-I829 HydrophobicContact CD2-CD1 4.24Å; F548-I829 HydrophobicContact CG-CD1 4.23Å; Q568-I829 HydrophobicContact CB-CG2 3.97Å; Q568-I829 WeakPolarHBondContact O-CG2 3.42Å; W570-I829 HydrophobicContact CD2-CB 3.97Å; W570-I829 HydrophobicContact CD2-CD1 4.01Å; W570-I829 HydrophobicContact CD2-CG1 4.16Å; W570-I829 HydrophobicContact CE3-CD1 3.99Å; W570-I829 HydrophobicContact CG-CB 4.05Å; W570-I829 HydrophobicContact CG-CD1 4.31Å; W570-I829 HydrophobicContact CG-CG1 4.07Å; W570-I829 HydrophobicContact CG-CG2 4.41Å; W570-I829 HydrophobicContact CZ2-CB 4.17Å; W570-I829 HydrophobicContact CZ3-CD1 4.44Å; F826-I829 WeakPolarHBondContact O-CG2 3.48Å; F826-I829 PolarHBondContact O-N 3.18Å; T827-I829 PolarHBondContact O-N 3.09Å; T827-I829 VanDerWaalsContact O-N 3.08Å; I829-D831 VanDerWaalsContact C-N 3.33Å; I829-D831 PolarHBondContact O-N 3.08Å; I829-Y832 PolarHBondContact O-N 3.39Å; I829-C833 WeakPolarHBondContact O-CB 3.23Å; I829-C833 PolarHBondContact O-N 3.42Å; I829-C833 PolarHBondContact O-SG 2.83Å; I829-C833 VanDerWaalsContact O-SG 3.41Å
830E98.6Very high98.7Very high91 Ų9122.2 Ų22.243%0.42511%0.114SC..Hα-helixtrans-62.4-45.9177.3-179.465.3-175.700109.9R116 T827 L828 Y832 V834R116-E830 IonicContact CZ-OE1 2.76Å; R116-E830 IonicContact NH1-OE1 3.79Å; R116-E830 PolarHBondContact NH1-OE1 3Å; R116-E830 IonicContact NH2-OE1 3.96Å; T827-E830 PolarHBondContact O-N 3.07Å; T827-E830 VanDerWaalsContact O-N 3.16Å; L828-E830 VanDerWaalsContact C-N 3.27Å; L828-E830 PolarHBondContact O-N 3.48Å; E830-Y832 VanDerWaalsContact C-N 3.35Å; E830-Y832 PolarHBondContact O-N 2.95Å; E830-V834 HydrophobicContact CG-CG2 4.48Å; E830-V834 VanDerWaalsContact O-CB 3.26Å; E830-V834 WeakPolarHBondContact O-CB 3.35Å; E830-V834 VanDerWaalsContact O-CG2 3.23Å; E830-V834 WeakPolarHBondContact O-CG2 3.48Å; E830-V834 PolarHBondContact O-N 2.66Å
831D98.9Very high98.7Very high9 Ų922.1 Ų22.15%0.04811%0.111CC..Hα-helixtrans-58.4-44.9173.8173.861.2000111.8S105 N108 N110 L828 I829 G835S105-D831 VanDerWaalsContact CA-OD1 3.23Å; S105-D831 WeakPolarHBondContact CA-OD1 3.2Å; S105-D831 VanDerWaalsContact CB-OD1 3.28Å; S105-D831 WeakPolarHBondContact CB-OD1 3.48Å; S105-D831 PolarHBondContact OG-OD1 3.4Å; N108-D831 WeakPolarHBondContact CB-OD2 3.48Å; N108-D831 PolarHBondContact ND2-OD2 3.35Å; N110-D831 WeakPolarHBondContact CB-OD1 3.42Å; N110-D831 PolarHBondContact ND2-O 3.41Å; N110-D831 PolarHBondContact ND2-OD1 3.36Å; L828-D831 WeakPolarHBondContact O-CB 3.27Å; L828-D831 PolarHBondContact O-N 3.01Å; I829-D831 VanDerWaalsContact C-N 3.33Å; I829-D831 PolarHBondContact O-N 3.08Å; D831-G835 WeakPolarHBondContact O-CA 3.48Å; D831-G835 PolarHBondContact O-N 2.97Å
832Y98.9Very high98.6Very high1 Ų122.1 Ų22.10%0.00411%0.111CC..Hα-helixtrans-67.7-44.2-177.1-64.5-4.6000112.4F548 W570 D799 A801 V817 A820 L828 I829 E830 L836F548-Y832 AromaticContact CD1-CD2 4Å; F548-Y832 HydrophobicContact CD1-CD2 4Å; F548-Y832 HydrophobicContact CD1-CG 4.39Å; F548-Y832 HydrophobicContact CE1-CD2 4.36Å; F548-Y832 HydrophobicContact CE1-CG 4.36Å; F548-Y832 WeakPolarHBondContact CE2-O 3.45Å; F548-Y832 HydrophobicContact CG-CD2 4.36Å; W570-Y832 HydrophobicContact CH2-CD2 4.2Å; W570-Y832 AromaticContact CH2-CE2 4Å; W570-Y832 HydrophobicContact CH2-CE2 4Å; D799-Y832 WeakPolarHBondContact CA-OH 3.49Å; D799-Y832 WeakPolarHBondContact O-CE1 3.41Å; D799-Y832 PolarHBondContact O-OH 3.21Å; A801-Y832 WeakPolarHBondContact CB-O 3.37Å; V817-Y832 HydrophobicContact CG1-CE2 4.29Å; V817-Y832 HydrophobicContact CG2-CE2 4.12Å; A820-Y832 VanDerWaalsContact CB-OH 3.24Å; A820-Y832 WeakPolarHBondContact CB-OH 3.32Å; L828-Y832 HydrophobicContact CB-CE1 4.19Å; L828-Y832 HydrophobicContact CB-CE2 4.19Å; L828-Y832 HydrophobicContact CD2-CE1 4.27Å; L828-Y832 VanDerWaalsContact O-CD1 3.26Å; L828-Y832 WeakPolarHBondContact O-CD1 3.16Å; L828-Y832 VanDerWaalsContact O-CG 3.25Å; L828-Y832 PolarHBondContact O-N 2.88Å; I829-Y832 PolarHBondContact O-N 3.39Å; E830-Y832 VanDerWaalsContact C-N 3.35Å; E830-Y832 PolarHBondContact O-N 2.95Å; Y832-L836 VanDerWaalsContact O-CB 3.31Å; Y832-L836 WeakPolarHBondContact O-CB 3.48Å; Y832-L836 PolarHBondContact O-N 3.11Å
833C98.9Very high98.4Very high16 Ų1622.6 Ų22.611%0.10811%0.113CC..Hα-helixtrans-64.6-51.7177.8-74.90000110.9I535 I829 G835 L836 K837I535-C833 HydrophobicContact CD1-CB 3.74Å; I829-C833 WeakPolarHBondContact O-CB 3.23Å; I829-C833 PolarHBondContact O-N 3.42Å; I829-C833 PolarHBondContact O-SG 2.83Å; I829-C833 VanDerWaalsContact O-SG 3.41Å; C833-G835 VanDerWaalsContact C-N 3.34Å; C833-G835 PolarHBondContact O-N 3.1Å; C833-L836 PolarHBondContact O-N 3.08Å; C833-K837 VanDerWaalsContact O-CG 3.31Å; C833-K837 WeakPolarHBondContact O-CG 3.3Å; C833-K837 PolarHBondContact O-N 2.74Å
834V98.8Very high98.3Very high7 Ų720.8 Ų20.84%0.04210%0.103CC..Hα-helixtrans-63.8-41.2-179.4172.70000111.3Y112 G113 E830 L836 K837 A838Y112-V834 HydrophobicContact CD1-CG1 3.4Å; Y112-V834 HydrophobicContact CE1-CG1 3.49Å; Y112-V834 VanDerWaalsContact CE1-CG1 3.49Å; G113-V834 VanDerWaalsContact CA-CG1 3.5Å; E830-V834 HydrophobicContact CG-CG2 4.48Å; E830-V834 VanDerWaalsContact O-CB 3.26Å; E830-V834 WeakPolarHBondContact O-CB 3.35Å; E830-V834 VanDerWaalsContact O-CG2 3.23Å; E830-V834 WeakPolarHBondContact O-CG2 3.48Å; E830-V834 PolarHBondContact O-N 2.66Å; V834-L836 PolarHBondContact O-N 3.36Å; V834-K837 PolarHBondContact O-N 2.85Å; V834-A838 PolarHBondContact O-N 3.01Å
835G98.9Very high98Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-64.7-38.7176.800000113N110 D831 C833 A838 L839N110-G835 VanDerWaalsContact CG-CA 3.41Å; N110-G835 PolarHBondContact ND2-N 3.26Å; N110-G835 VanDerWaalsContact OD1-CA 3.26Å; N110-G835 WeakPolarHBondContact OD1-CA 3.47Å; D831-G835 WeakPolarHBondContact O-CA 3.48Å; D831-G835 PolarHBondContact O-N 2.97Å; C833-G835 VanDerWaalsContact C-N 3.34Å; C833-G835 PolarHBondContact O-N 3.1Å; G835-A838 PolarHBondContact O-N 2.76Å; G835-L839 VanDerWaalsContact O-CG 3.27Å; G835-L839 WeakPolarHBondContact O-CG 3.48Å; G835-L839 PolarHBondContact O-N 2.76Å
836L98.9Very high97.1Very high0 Ų021.8 Ų21.80%011%0.106CC..Hα-helixtrans-69.8-42.9178.1-178.960.6000110.8I535 P547 F548 A801 L805 L808 Y832 C833 V834 A838 L839 L840 V924I535-L836 HydrophobicContact CB-CD2 4.17Å; I535-L836 HydrophobicContact CG2-CB 4.47Å; I535-L836 HydrophobicContact CG2-CD2 4.09Å; I535-L836 HydrophobicContact CG2-CG 4.03Å; P547-L836 HydrophobicContact CG-CD2 3.56Å; F548-L836 HydrophobicContact CE2-CB 4.1Å; F548-L836 HydrophobicContact CE2-CD2 3.76Å; F548-L836 HydrophobicContact CZ-CB 4.14Å; F548-L836 HydrophobicContact CZ-CD2 3.95Å; A801-L836 HydrophobicContact CB-CB 4.23Å; A801-L836 VanDerWaalsContact CB-N 3.25Å; L805-L836 HydrophobicContact CB-CD1 4.42Å; L805-L836 HydrophobicContact CD1-CD1 4.31Å; L808-L836 HydrophobicContact CD1-CD1 4.33Å; Y832-L836 VanDerWaalsContact O-CB 3.31Å; Y832-L836 WeakPolarHBondContact O-CB 3.48Å; Y832-L836 PolarHBondContact O-N 3.11Å; C833-L836 PolarHBondContact O-N 3.08Å; V834-L836 PolarHBondContact O-N 3.36Å; L836-A838 VanDerWaalsContact C-N 3.3Å; L836-A838 PolarHBondContact O-N 2.87Å; L836-L839 PolarHBondContact O-N 2.97Å; L836-L840 HydrophobicContact CD1-CD1 4.36Å; L836-L840 HydrophobicContact CD1-CG 4.29Å; L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CG 3.24Å; L836-L840 PolarHBondContact O-N 3.2Å; L836-V924 HydrophobicContact CD2-CG2 4.26Å
837K98.9Very high96.6Very high48 Ų4823 Ų2321%0.20911%0.113CC..Hα-helixtrans-54.1-48.3172.6-73.6-178.9-179.2-1720111.1I530 D531 V533 I535 C833 V834 L840 Y841I530-K837 HydrophobicContact CG2-CB 3.7Å; I530-K837 WeakPolarHBondContact O-CB 3.07Å; D531-K837 PolarHBondContact O-NZ 2.87Å; V533-K837 HydrophobicContact CB-CB 3.97Å; V533-K837 HydrophobicContact CB-CG 3.94Å; V533-K837 HydrophobicContact CG1-CB 4.37Å; V533-K837 HydrophobicContact CG1-CG 4.3Å; V533-K837 WeakPolarHBondContact O-CE 3.38Å; I535-K837 HydrophobicContact CD1-CG 4.31Å; I535-K837 HydrophobicContact CG1-CG 4.48Å; I535-K837 HydrophobicContact CG2-CB 4.48Å; I535-K837 HydrophobicContact CG2-CG 3.58Å; C833-K837 VanDerWaalsContact O-CG 3.31Å; C833-K837 WeakPolarHBondContact O-CG 3.3Å; C833-K837 PolarHBondContact O-N 2.74Å; V834-K837 PolarHBondContact O-N 2.85Å; K837-L840 PolarHBondContact O-N 3.48Å; K837-Y841 VanDerWaalsContact O-CB 3.31Å; K837-Y841 WeakPolarHBondContact O-CB 3.31Å; K837-Y841 PolarHBondContact O-N 2.97Å
838A98.8Very high96Very high0 Ų028.4 Ų28.40%013%0.132CC..Hα-helixtrans-61.9-47.417800000112.1Y112 I530 V834 G835 L836 L840 Y841 L842 Q853Y112-A838 HydrophobicContact CD1-CB 3.85Å; Y112-A838 HydrophobicContact CG-CB 4.06Å; I530-A838 HydrophobicContact CD1-CB 4.23Å; I530-A838 HydrophobicContact CG2-CB 3.99Å; V834-A838 PolarHBondContact O-N 3.01Å; G835-A838 PolarHBondContact O-N 2.76Å; L836-A838 VanDerWaalsContact C-N 3.3Å; L836-A838 PolarHBondContact O-N 2.87Å; A838-L840 VanDerWaalsContact C-N 3.28Å; A838-L840 PolarHBondContact O-N 2.79Å; A838-Y841 PolarHBondContact O-N 2.96Å; A838-L842 WeakPolarHBondContact O-CB 3.25Å; A838-L842 VanDerWaalsContact O-CG 3.26Å; A838-L842 WeakPolarHBondContact O-CG 3.39Å; A838-L842 PolarHBondContact O-N 2.94Å; A838-Q853 HydrophobicContact CB-CG 4.48Å
839L98.8Very high95.6Very high11 Ų1133.5 Ų33.56%0.05816%0.16CC..Hα-helixtrans-60.2-36179-73.3167.5000113A801 E802 L805 G835 L836 K843 Q853A801-L839 HydrophobicContact CB-CD1 4.1Å; E802-L839 HydrophobicContact CB-CD1 4.38Å; L805-L839 HydrophobicContact CB-CD1 4.36Å; L805-L839 HydrophobicContact CD2-CB 3.98Å; L805-L839 HydrophobicContact CD2-CD1 4Å; L805-L839 HydrophobicContact CD2-CG 4.42Å; G835-L839 VanDerWaalsContact O-CG 3.27Å; G835-L839 WeakPolarHBondContact O-CG 3.48Å; G835-L839 PolarHBondContact O-N 2.76Å; L836-L839 PolarHBondContact O-N 2.97Å; L839-K843 WeakPolarHBondContact O-CG 3.46Å; L839-Q853 HydrophobicContact CD2-CG 4.07Å; L839-Q853 HydrophobicContact CG-CG 4.45Å
840L98.4Very high95.5Very high0 Ų035.8 Ų35.80%017%0.168CC..Hα-helixtrans-74.2-44.6174.7-64.7175.7000111.2V533 I535 L836 K837 A838 L842 K843 V921 P922 V924 V927V533-L840 HydrophobicContact CG1-CB 4.2Å; V533-L840 HydrophobicContact CG1-CD1 4.35Å; I535-L840 HydrophobicContact CG2-CD1 4.03Å; L836-L840 HydrophobicContact CD1-CD1 4.36Å; L836-L840 HydrophobicContact CD1-CG 4.29Å; L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CG 3.24Å; L836-L840 PolarHBondContact O-N 3.2Å; K837-L840 PolarHBondContact O-N 3.48Å; A838-L840 VanDerWaalsContact C-N 3.28Å; A838-L840 PolarHBondContact O-N 2.79Å; L840-L842 PolarHBondContact O-N 2.84Å; L840-K843 WeakPolarHBondContact O-CB 3.47Å; L840-K843 PolarHBondContact O-N 2.97Å; L840-V921 HydrophobicContact CB-CG1 4.09Å; L840-P922 HydrophobicContact CD2-CB 4.44Å; L840-P922 WeakPolarHBondContact O-CD 3.48Å; L840-V924 HydrophobicContact CD1-CG2 4.35Å; L840-V927 HydrophobicContact CD2-CG1 3.87Å; L840-V927 HydrophobicContact CD2-CG2 4.22Å
841Y97.8Very high95.4Very high8 Ų836.7 Ų36.73%0.03118%0.176CC..Hα-helixtrans-59.9-47.2178.9-170.5-97.8000112.2I170 A529 I530 V533 K837 A838 K843 S844 L845 P917 V921I170-Y841 HydrophobicContact CD1-CD1 3.85Å; I170-Y841 HydrophobicContact CD1-CE1 3.67Å; I170-Y841 HydrophobicContact CG1-CE1 4.08Å; A529-Y841 HydrophobicContact CB-CE2 3.82Å; I530-Y841 HydrophobicContact CB-CG 4.49Å; I530-Y841 HydrophobicContact CD1-CD1 4.15Å; I530-Y841 HydrophobicContact CG1-CD1 3.48Å; I530-Y841 VanDerWaalsContact CG1-CD1 3.48Å; I530-Y841 HydrophobicContact CG1-CD2 4.25Å; I530-Y841 HydrophobicContact CG1-CE1 4.1Å; I530-Y841 HydrophobicContact CG1-CG 3.57Å; V533-Y841 HydrophobicContact CG2-CD2 3.85Å; V533-Y841 HydrophobicContact CG2-CG 4.42Å; K837-Y841 VanDerWaalsContact O-CB 3.31Å; K837-Y841 WeakPolarHBondContact O-CB 3.31Å; K837-Y841 PolarHBondContact O-N 2.97Å; A838-Y841 PolarHBondContact O-N 2.96Å; Y841-K843 PolarHBondContact O-N 2.96Å; Y841-S844 WeakPolarHBondContact O-CA 3.37Å; Y841-S844 WeakPolarHBondContact O-CB 3.23Å; Y841-S844 PolarHBondContact O-N 3.41Å; Y841-S844 PolarHBondContact O-OG 3.3Å; Y841-L845 HydrophobicContact CD1-CD1 4.18Å; Y841-L845 HydrophobicContact CD1-CD2 4.36Å; Y841-L845 HydrophobicContact CD1-CG 4.27Å; Y841-L845 HydrophobicContact CE1-CD1 3.87Å; Y841-L845 HydrophobicContact CE1-CD2 3.74Å; Y841-L845 HydrophobicContact CE1-CG 4.04Å; Y841-P917 HydrophobicContact CE2-CG 3.96Å; Y841-V921 HydrophobicContact CD2-CG2 3.91Å; Y841-V921 HydrophobicContact CE2-CG2 4.4Å
842L96.2Very high95.3Very high12 Ų1237.6 Ų37.66%0.06319%0.187CC..Hα-helixtrans-63.4-28.1-177.3-66.6177.9000112.7M168 I170 A838 L840 S844 L845 L847 G852 Q853M168-L842 HydrophobicContact CB-CD2 4.42Å; M168-L842 HydrophobicContact CE-CD1 3.94Å; M168-L842 HydrophobicContact CG-CD2 4.17Å; M168-L842 HydrophobicContact SD-CD1 4.26Å; M168-L842 HydrophobicContact SD-CD2 4.04Å; I170-L842 HydrophobicContact CD1-CD2 4.13Å; A838-L842 WeakPolarHBondContact O-CB 3.25Å; A838-L842 VanDerWaalsContact O-CG 3.26Å; A838-L842 WeakPolarHBondContact O-CG 3.39Å; A838-L842 PolarHBondContact O-N 2.94Å; L840-L842 PolarHBondContact O-N 2.84Å; L842-S844 PolarHBondContact O-N 3.32Å; L842-L845 HydrophobicContact CD2-CD1 3.89Å; L842-L845 PolarHBondContact O-N 3.32Å; L842-L845 VanDerWaalsContact O-N 3.12Å; L842-L847 HydrophobicContact CD2-CD1 3.84Å; L842-G852 WeakPolarHBondContact CD1-O 3.36Å; L842-Q853 HydrophobicContact CD1-CB 4.39Å; L842-Q853 HydrophobicContact CD1-CG 3.95Å
843K95.1Very high95.3Very high65 Ų6537.7 Ų37.728%0.28319%0.188SC..Hα-helixtrans-59.9-28.2171.1-68.9174-169.4-59.70111.4L839 L840 Y841 R919 P922L839-K843 WeakPolarHBondContact O-CG 3.46Å; L840-K843 WeakPolarHBondContact O-CB 3.47Å; L840-K843 PolarHBondContact O-N 2.97Å; Y841-K843 PolarHBondContact O-N 2.96Å; K843-R919 PolarHBondContact O-NE 3.02Å; K843-R919 PolarHBondContact O-NH2 2.92Å; K843-P922 HydrophobicContact CB-CG 4.27Å; K843-P922 HydrophobicContact CD-CG 4.43Å
844S95.1Very high95.2Very high0 Ų037.3 Ų37.30%019%0.185CC..THydrogen-bonded Turntrans-78.1-16.6179.280.90000114.7Y841 L842 P917 K918 R919Y841-S844 WeakPolarHBondContact O-CA 3.37Å; Y841-S844 WeakPolarHBondContact O-CB 3.23Å; Y841-S844 PolarHBondContact O-N 3.41Å; Y841-S844 PolarHBondContact O-OG 3.3Å; L842-S844 PolarHBondContact O-N 3.32Å; S844-P917 WeakPolarHBondContact OG-CB 3.28Å; S844-K918 PolarHBondContact O-N 2.91Å; S844-R919 WeakPolarHBondContact CB-O 3.44Å; S844-R919 PolarHBondContact O-N 3.33Å
845L91.9Very high95.1Very high2 Ų238 Ų381%0.0119%0.19CC..THydrogen-bonded Turntrans-90.6-17.8-176.3-54.2-169.6000113.6I170 Y841 L842 L847 V914 K918I170-L845 HydrophobicContact CD1-CD1 4.26Å; I170-L845 HydrophobicContact CG1-CD1 4.2Å; Y841-L845 HydrophobicContact CD1-CD1 4.18Å; Y841-L845 HydrophobicContact CD1-CD2 4.36Å; Y841-L845 HydrophobicContact CD1-CG 4.27Å; Y841-L845 HydrophobicContact CE1-CD1 3.87Å; Y841-L845 HydrophobicContact CE1-CD2 3.74Å; Y841-L845 HydrophobicContact CE1-CG 4.04Å; L842-L845 HydrophobicContact CD2-CD1 3.89Å; L842-L845 PolarHBondContact O-N 3.32Å; L842-L845 VanDerWaalsContact O-N 3.12Å; L845-L847 VanDerWaalsContact C-N 3.34Å; L845-L847 HydrophobicContact CB-CD2 4.27Å; L845-L847 HydrophobicContact CB-CG 4.06Å; L845-L847 PolarHBondContact O-N 3.09Å; L845-V914 HydrophobicContact CD2-CG1 3.82Å; L845-K918 PolarHBondContact O-NZ 2.74Å
846E81.7Confident94.9Very high109 Ų10940.7 Ų40.751%0.50921%0.207SC..THydrogen-bonded Turntrans56.344.7-173.9-52.2-179.5150.500112.7K848 K918E846-K848 PolarHBondContact O-N 2.89Å; E846-K918 HydrophobicContact CB-CD 4.19Å; E846-K918 HydrophobicContact CG-CD 4.12Å; E846-K918 VanDerWaalsContact OE2-CD 3.24Å; E846-K918 WeakPolarHBondContact OE2-CD 3.17Å; E846-K918 IonicContact OE2-NZ 2.75Å
847L87.6Confident94.7Very high43 Ų4342.8 Ų42.823%0.22522%0.22CC..  trans-62.4120.7172.2-61.1-177.7000109.1L842 L845 W850L842-L847 HydrophobicContact CD2-CD1 3.84Å; L845-L847 VanDerWaalsContact C-N 3.34Å; L845-L847 HydrophobicContact CB-CD2 4.27Å; L845-L847 HydrophobicContact CB-CG 4.06Å; L845-L847 PolarHBondContact O-N 3.09Å; L847-W850 HydrophobicContact CB-CB 4.18Å; L847-W850 HydrophobicContact CB-CD2 4.18Å; L847-W850 HydrophobicContact CB-CG 3.74Å; L847-W850 HydrophobicContact CD1-CD2 3.75Å; L847-W850 HydrophobicContact CD1-CE3 3.98Å; L847-W850 HydrophobicContact CD1-CG 4.22Å; L847-W850 HydrophobicContact CD1-CH2 4.34Å; L847-W850 HydrophobicContact CD1-CZ2 4.12Å; L847-W850 HydrophobicContact CD1-CZ3 4.28Å
848K86.8Confident94.3Very high163 Ų16345.1 Ų45.171%0.70923%0.232SC*.THydrogen-bonded Turntrans-74.2130.7-174.3-165.7-163.2172.1-169.40110.4E846 W850E846-K848 PolarHBondContact O-N 2.89Å; K848-W850 PolarHBondContact O-N 3.2Å
849D90.6Very high94.1Very high116 Ų11648.5 Ų48.562%0.6225%0.246SC*.THydrogen-bonded Turntrans62.517173.8-48.5-39.5000115.1P856D849-P856 HydrophobicContact CB-CB 4.18Å
850W95.1Very high93.9Very high50 Ų5049 Ų4919%0.18925%0.248CC..  trans-81.3138.7168.6-75.752.7000110.4V164 K167 M168 L847 K848 Q853 S854 P855V164-W850 HydrophobicContact CG1-CH2 4.25Å; V164-W850 HydrophobicContact CG1-CZ3 4.14Å; K167-W850 HydrophobicContact CB-CH2 4.07Å; K167-W850 HydrophobicContact CB-CZ2 3.96Å; M168-W850 HydrophobicContact CB-CH2 4.49Å; M168-W850 HydrophobicContact CE-CZ3 4.16Å; M168-W850 HydrophobicContact CG-CH2 3.68Å; M168-W850 HydrophobicContact CG-CZ3 3.77Å; L847-W850 HydrophobicContact CB-CB 4.18Å; L847-W850 HydrophobicContact CB-CD2 4.18Å; L847-W850 HydrophobicContact CB-CG 3.74Å; L847-W850 HydrophobicContact CD1-CD2 3.75Å; L847-W850 HydrophobicContact CD1-CE3 3.98Å; L847-W850 HydrophobicContact CD1-CG 4.22Å; L847-W850 HydrophobicContact CD1-CH2 4.34Å; L847-W850 HydrophobicContact CD1-CZ2 4.12Å; L847-W850 HydrophobicContact CD1-CZ3 4.28Å; K848-W850 PolarHBondContact O-N 3.2Å; W850-Q853 VanDerWaalsContact CZ3-O 3.3Å; W850-Q853 WeakPolarHBondContact CZ3-O 3.35Å; W850-S854 WeakPolarHBondContact CA-O 3.37Å; W850-P855 HydrophobicContact CD2-CB 4.19Å; W850-P855 HydrophobicContact CE3-CB 4.42Å; W850-P855 HydrophobicContact CH2-CB 4.03Å; W850-P855 HydrophobicContact CZ2-CB 3.77Å; W850-P855 HydrophobicContact CZ3-CB 4.34Å
851D96.8Very high93.8Very high111 Ų11150.6 Ų50.659%0.59426%0.256SS*.BIsolated β-bridgetrans-103.498168.9-175.821.6000109.9Q853 S854D851-Q853 PolarHBondContact O-N 3.12Å; D851-S854 PolarHBondContact N-O 2.96Å; D851-S854 WeakPolarHBondContact O-CB 3.31Å; D851-S854 PolarHBondContact O-N 2.93Å
852G97Very high93.7Very high27 Ų2758.8 Ų58.828%0.27829%0.292SS..THydrogen-bonded Turntrans62.9-111.6-173.600000111.2L842L842-G852 WeakPolarHBondContact CD1-O 3.36Å
853Q98.4Very high93.6Very high4 Ų459 Ų592%0.01930%0.297CS..THydrogen-bonded Turntrans-96.8-6.8175.8-57.7-166.137.900113.2N110 Y111 M168 A838 L839 L842 W850 D851 P855N110-Q853 PolarHBondContact OD1-NE2 2.82Å; Y111-Q853 HydrophobicContact CD2-CB 3.94Å; Y111-Q853 WeakPolarHBondContact CD2-O 3.36Å; M168-Q853 HydrophobicContact CE-CB 4.05Å; M168-Q853 HydrophobicContact CE-CG 4.28Å; A838-Q853 HydrophobicContact CB-CG 4.48Å; L839-Q853 HydrophobicContact CD2-CG 4.07Å; L839-Q853 HydrophobicContact CG-CG 4.45Å; L842-Q853 HydrophobicContact CD1-CB 4.39Å; L842-Q853 HydrophobicContact CD1-CG 3.95Å; W850-Q853 VanDerWaalsContact CZ3-O 3.3Å; W850-Q853 WeakPolarHBondContact CZ3-O 3.35Å; D851-Q853 PolarHBondContact O-N 3.12Å; Q853-P855 WeakPolarHBondContact O-CD 3.47Å
854S98.4Very high93.7Very high7 Ų758.4 Ų58.45%0.04929%0.294CS..BIsolated β-bridgetrans-78.4118.7179-64.10000110E71 K109 W850 D851E71-S854 WeakPolarHBondContact OE1-CB 3.33Å; E71-S854 PolarHBondContact OE1-OG 3.03Å; K109-S854 PolarHBondContact NZ-OG 3.28Å; W850-S854 WeakPolarHBondContact CA-O 3.37Å; D851-S854 PolarHBondContact N-O 2.96Å; D851-S854 WeakPolarHBondContact O-CB 3.31Å; D851-S854 PolarHBondContact O-N 2.93Å
855P95.9Very high93.5Very high21 Ų2162.9 Ų62.914%0.13632%0.323CS..PPolyproline II helixtrans-65.9160171.229.3-34.3000110.8V164 W850 Q853 T857V164-P855 HydrophobicContact CG2-CG 4.32Å; W850-P855 HydrophobicContact CD2-CB 4.19Å; W850-P855 HydrophobicContact CE3-CB 4.42Å; W850-P855 HydrophobicContact CH2-CB 4.03Å; W850-P855 HydrophobicContact CZ2-CB 3.77Å; W850-P855 HydrophobicContact CZ3-CB 4.34Å; Q853-P855 WeakPolarHBondContact O-CD 3.47Å; P855-T857 PolarHBondContact O-N 2.95Å
856P94.3Very high93.4Very high57 Ų5763.9 Ų63.937%0.3733%0.33SS..PPolyproline II helixtrans-56.4131.5174.523.7-34.2000110.2D849 E858D849-P856 HydrophobicContact CB-CB 4.18Å; P856-E858 PolarHBondContact O-N 3.24Å
857T94.7Very high93.4Very high44 Ų4461.2 Ų61.227%0.2732%0.318SS..  trans-67.3109-178.1-55.70000110.4P855 M955 D1003P855-T857 PolarHBondContact O-N 2.95Å; T857-M955 HydrophobicContact CG2-CE 3.74Å; T857-D1003 VanDerWaalsContact CB-OD2 3.23Å; T857-D1003 WeakPolarHBondContact CB-OD2 3.26Å; T857-D1003 HydrophobicContact CG2-CB 4.22Å; T857-D1003 PolarHBondContact OG1-OD2 2.82Å
858E92.1Very high92.8Very high98 Ų9867.8 Ų67.846%0.45835%0.345SS..  trans-73.3148.5172.9-65.9173.3-14900110.9K167 P856 H860K167-E858 IonicContact NZ-OE1 2.64Å; K167-E858 PolarHBondContact NZ-OE1 2.85Å; P856-E858 PolarHBondContact O-N 3.24Å; E858-H860 PolarHBondContact O-CD2 2.81Å; E858-H860 PolarHBondContact O-N 3Å; E858-H860 VanDerWaalsContact O-N 3.07Å
859K93.4Very high92.3Very high70 Ų7060.4 Ų60.430%0.30431%0.314SS..  trans-56.7116.2171.9-73.9173.1173.6-100.20109.8V866 D952 D954 M955K859-V866 HydrophobicContact CB-CB 4.44Å; K859-V866 PolarHBondContact O-N 2.93Å; K859-D952 WeakPolarHBondContact CE-OD2 3.47Å; K859-D952 WeakPolarHBondContact CG-OD2 3.41Å; K859-D952 IonicContact NZ-OD1 3.57Å; K859-D952 PolarHBondContact NZ-OD1 2.97Å; K859-D952 IonicContact NZ-OD2 3.92Å; K859-D952 PolarHBondContact NZ-OD2 2.73Å; K859-D954 HydrophobicContact CD-CB 4.47Å; K859-D954 IonicContact NZ-OD2 3.23Å; K859-D954 PolarHBondContact NZ-OD2 2.77Å; K859-D954 VanDerWaalsContact NZ-OD2 3.13Å; K859-M955 HydrophobicContact CB-CG 4.31Å; K859-M955 HydrophobicContact CG-CG 4.28Å; K859-M955 HydrophobicContact CG-SD 4.39Å
860H95Very high91.1Very high21 Ų2157.9 Ų57.910%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-138.3154-174.873.660.5000113.2E858 G863 K864E858-H860 PolarHBondContact O-CD2 2.81Å; E858-H860 PolarHBondContact O-N 3Å; E858-H860 VanDerWaalsContact O-N 3.07Å; H860-G863 PolarHBondContact ND1-N 3.27Å; H860-K864 CarbonylContact C-O 3.57Å; H860-K864 WeakPolarHBondContact CA-O 3.44Å; H860-K864 WeakPolarHBondContact CB-O 3.49Å
861Q95.4Very high89.6Confident35 Ų3559.6 Ų59.616%0.16433%0.328CS..EExtended strand (participates in β ladder)trans-122.2125.6161.6-78.6-68.4-30.600108.6G863 K864 V866 D954 C956Q861-G863 PolarHBondContact O-N 2.94Å; Q861-G863 VanDerWaalsContact O-N 3.15Å; Q861-K864 PolarHBondContact N-O 2.88Å; Q861-K864 PolarHBondContact O-N 3.49Å; Q861-V866 HydrophobicContact CB-CG2 4.37Å; Q861-V866 HydrophobicContact CG-CG2 4.04Å; Q861-D954 PolarHBondContact NE2-O 2.98Å; Q861-C956 PolarHBondContact NE2-O 3.44Å; Q861-C956 VanDerWaalsContact NE2-O 3.15Å
862K96.4Very high88.2Confident179 Ų17955.8 Ų55.878%0.77831%0.307SS*.THydrogen-bonded Turntrans53.728.8-172.6-55.3-179.7177-179.20114.1K864K862-K864 VanDerWaalsContact C-N 3.28Å; K862-K864 PolarHBondContact O-N 2.62Å
863G94.5Very high86.5Confident16 Ų1659.9 Ų59.917%0.16533%0.326CS..THydrogen-bonded Turntrans80.21.6-17700000115.7H860 Q861H860-G863 PolarHBondContact ND1-N 3.27Å; Q861-G863 PolarHBondContact O-N 2.94Å; Q861-G863 VanDerWaalsContact O-N 3.15Å
864K95.6Very high84.6Confident53 Ų5363.6 Ų63.623%0.2337%0.366CS..EExtended strand (participates in β ladder)trans-96.2135.8173.5-60-178.1179.9-173.90109.8D63 I64 K65 T68 H860 Q861 K862D63-K864 HydrophobicContact CB-CD 4.49Å; D63-K864 WeakPolarHBondContact O-CD 3.22Å; D63-K864 WeakPolarHBondContact O-CE 3.46Å; D63-K864 PolarHBondContact O-NZ 2.76Å; D63-K864 VanDerWaalsContact OD2-CE 3.3Å; D63-K864 WeakPolarHBondContact OD2-CE 3.38Å; D63-K864 IonicContact OD2-NZ 3.42Å; I64-K864 VanDerWaalsContact C-NZ 3.32Å; K65-K864 VanDerWaalsContact O-CE 3.24Å; K65-K864 WeakPolarHBondContact O-CE 3.3Å; K65-K864 PolarHBondContact O-NZ 2.57Å; T68-K864 HydrophobicContact CG2-CG 4.27Å; H860-K864 CarbonylContact C-O 3.57Å; H860-K864 WeakPolarHBondContact CA-O 3.44Å; H860-K864 WeakPolarHBondContact CB-O 3.49Å; Q861-K864 PolarHBondContact N-O 2.88Å; Q861-K864 PolarHBondContact O-N 3.49Å; K862-K864 VanDerWaalsContact C-N 3.28Å; K862-K864 PolarHBondContact O-N 2.62Å
865P91.8Very high83.3Confident94 Ų9469.9 Ų69.961%0.6139%0.393SS*.EExtended strand (participates in β ladder)trans-55.5139.8179.4-26.134.5000112.6
866V88.9Confident82Confident24 Ų2471.2 Ų71.215%0.14540%0.4CS..PPolyproline II helixtrans-85121.9174.41780000109.7K859 Q861 K868 R887 D954K859-V866 HydrophobicContact CB-CB 4.44Å; K859-V866 PolarHBondContact O-N 2.93Å; Q861-V866 HydrophobicContact CB-CG2 4.37Å; Q861-V866 HydrophobicContact CG-CG2 4.04Å; V866-K868 PolarHBondContact O-N 2.91Å; V866-R887 VanDerWaalsContact CG1-NH2 3.34Å; V866-D954 HydrophobicContact CG1-CB 4.26Å; V866-D954 HydrophobicContact CG2-CB 4.49Å
867L83.1Confident81.7Confident52 Ų5269.2 Ų69.227%0.27239%0.387SS..PPolyproline II helixtrans-64.1129.8174.5-67.4174.5000111.3L869 I891L867-L869 HydrophobicContact CB-CD2 4.22Å; L867-L869 HydrophobicContact CB-CG 4.29Å; L867-L869 PolarHBondContact O-N 2.74Å; L867-I891 HydrophobicContact CD1-CG1 4.3Å; L867-I891 HydrophobicContact CD1-CG2 4.15Å
868K75.1Confident81.6Confident181 Ų18167.4 Ų67.479%0.78738%0.375SS*.  trans-84.497.1171.4-67.8-177.2-179177.40109.5V866V866-K868 PolarHBondContact O-N 2.91Å
869L74.7Confident81.7Confident9 Ų963.9 Ų63.95%0.04736%0.362CS..  trans-97.4126.5-179.9-60.6-177.4000111.3L867 D871 L872 V873 A890 I891 Y894L867-L869 HydrophobicContact CB-CD2 4.22Å; L867-L869 HydrophobicContact CB-CG 4.29Å; L867-L869 PolarHBondContact O-N 2.74Å; L869-D871 VanDerWaalsContact C-N 3.28Å; L869-D871 PolarHBondContact O-N 3.16Å; L869-L872 HydrophobicContact CB-CB 4.16Å; L869-L872 HydrophobicContact CB-CD1 4.2Å; L869-L872 HydrophobicContact CB-CG 4.1Å; L869-L872 HydrophobicContact CD1-CD1 3.82Å; L869-L872 HydrophobicContact CD1-CG 4.38Å; L869-L872 HydrophobicContact CG-CD1 4.45Å; L869-L872 CarbonylContact O-C 3.6Å; L869-L872 WeakPolarHBondContact O-CA 3.27Å; L869-L872 PolarHBondContact O-N 2.93Å; L869-V873 WeakPolarHBondContact O-CG2 3.36Å; L869-V873 PolarHBondContact O-N 2.81Å; L869-A890 HydrophobicContact CD1-CB 4.01Å; L869-I891 HydrophobicContact CD1-CB 4.41Å; L869-I891 HydrophobicContact CD1-CG1 3.65Å; L869-Y894 HydrophobicContact CD2-CD1 3.37Å; L869-Y894 HydrophobicContact CD2-CD2 4.08Å; L869-Y894 HydrophobicContact CD2-CE1 3.85Å; L869-Y894 HydrophobicContact CD2-CG 3.49Å; L869-Y894 VanDerWaalsContact CD2-CG 3.49Å
870G66.8Low81.8Confident63 Ų6360.7 Ų60.765%0.64935%0.348SS*.G310 helixtrans-51.1-44.3177.300000113.6L872 V873G870-L872 PolarHBondContact O-N 2.82Å; G870-L872 VanDerWaalsContact O-N 3.16Å; G870-V873 PolarHBondContact O-N 3.21Å; G870-V873 VanDerWaalsContact O-N 3.12Å
871D63.9Low81.8Confident86 Ų8660 Ų6046%0.4635%0.347SS..G310 helixtrans-64.2-17.5177.9-74.7-4.8000114L869 K893L869-D871 VanDerWaalsContact C-N 3.28Å; L869-D871 PolarHBondContact O-N 3.16Å; D871-K893 IonicContact OD2-NZ 3.64Å; D871-K893 PolarHBondContact OD2-NZ 3.19Å
872L66.4Low81.8Confident30 Ų3060.5 Ų60.516%0.15735%0.353CS..G310 helixtrans-109.4-3.2177.7-59.3-175.9000113.1L869 G870 G874 K875 L877 R887 A890L869-L872 HydrophobicContact CB-CB 4.16Å; L869-L872 HydrophobicContact CB-CD1 4.2Å; L869-L872 HydrophobicContact CB-CG 4.1Å; L869-L872 HydrophobicContact CD1-CD1 3.82Å; L869-L872 HydrophobicContact CD1-CG 4.38Å; L869-L872 HydrophobicContact CG-CD1 4.45Å; L869-L872 CarbonylContact O-C 3.6Å; L869-L872 WeakPolarHBondContact O-CA 3.27Å; L869-L872 PolarHBondContact O-N 2.93Å; G870-L872 PolarHBondContact O-N 2.82Å; G870-L872 VanDerWaalsContact O-N 3.16Å; L872-G874 PolarHBondContact O-N 3.09Å; L872-G874 VanDerWaalsContact O-N 3.14Å; L872-K875 PolarHBondContact O-N 3.28Å; L872-L877 HydrophobicContact CD2-CD1 3.59Å; L872-L877 HydrophobicContact CD2-CG 4.49Å; L872-R887 HydrophobicContact CD1-CG 4.32Å; L872-A890 HydrophobicContact CD1-CB 4.05Å; L872-A890 HydrophobicContact CD2-CB 4.14Å; L872-A890 HydrophobicContact CG-CB 4.08Å
873V61.2Low81.7Confident113 Ų11353.7 Ų53.769%0.68532%0.322SS*.THydrogen-bonded Turntrans-62.5119.8175.9175.10000108.7L869 G870 K875L869-V873 WeakPolarHBondContact O-CG2 3.36Å; L869-V873 PolarHBondContact O-N 2.81Å; G870-V873 PolarHBondContact O-N 3.21Å; G870-V873 VanDerWaalsContact O-N 3.12Å; V873-K875 VanDerWaalsContact C-N 3.31Å
874G60Low81.6Confident83 Ų8355.7 Ų55.786%0.85633%0.329SS*.THydrogen-bonded Turntrans81.61.1-175.600000115.1L872L872-G874 PolarHBondContact O-N 3.09Å; L872-G874 VanDerWaalsContact O-N 3.14Å
875K70.9Confident81.4Confident139 Ų13958.4 Ų58.460%0.60434%0.343SS*.  trans-114100.3170.7-67.9179.6-175166.60109.5L872 V873 L877L872-K875 PolarHBondContact O-N 3.28Å; V873-K875 VanDerWaalsContact C-N 3.31Å; K875-L877 PolarHBondContact O-N 3.39Å
876T68.4Low81.4Confident48 Ų4858.6 Ų58.629%0.29434%0.335SS..  trans-83.6111.9176.4-47.20000110.7E953 L982T876-E953 WeakPolarHBondContact CB-OE2 3.26Å; T876-E953 HydrophobicContact CG2-CB 3.33Å; T876-E953 HydrophobicContact CG2-CG 4.26Å; T876-E953 WeakPolarHBondContact CG2-OE2 3.35Å; T876-E953 PolarHBondContact OG1-OE2 3.27Å; T876-L982 HydrophobicContact CG2-CD1 3.53Å; T876-L982 HydrophobicContact CG2-CD2 4.36Å
877L87.6Confident81.5Confident16 Ų1658.9 Ų58.98%0.08433%0.334CS..  trans-107.1119.9177.4-63.2179.4000109.1L872 K875 Y883 Q886 R887L872-L877 HydrophobicContact CD2-CD1 3.59Å; L872-L877 HydrophobicContact CD2-CG 4.49Å; K875-L877 PolarHBondContact O-N 3.39Å; L877-Y883 HydrophobicContact CD2-CD1 4.02Å; L877-Q886 HydrophobicContact CD1-CB 3.81Å; L877-R887 HydrophobicContact CB-CG 3.61Å; L877-R887 HydrophobicContact CD1-CG 3.81Å; L877-R887 HydrophobicContact CG-CG 4.38Å; L877-R887 WeakPolarHBondContact O-CD 3.4Å; L877-R887 PolarHBondContact O-NH1 3.19Å
878P93.1Very high81.8Confident5 Ų558.4 Ų58.43%0.03233%0.333CS..  trans-68.9159175.231-38.1000111.5F880 Y883 T980P878-F880 HydrophobicContact CB-CD1 3.71Å; P878-F880 HydrophobicContact CB-CE1 3.42Å; P878-F880 VanDerWaalsContact CB-CE1 3.42Å; P878-F880 HydrophobicContact CB-CZ 4.14Å; P878-F880 HydrophobicContact CG-CD1 4.09Å; P878-F880 HydrophobicContact CG-CE1 3.62Å; P878-F880 HydrophobicContact CG-CE2 4.42Å; P878-F880 HydrophobicContact CG-CZ 3.81Å; P878-F880 PolarHBondContact O-N 3.39Å; P878-Y883 HydrophobicContact CG-CD2 3.51Å; P878-Y883 HydrophobicContact CG-CE2 4.15Å; P878-Y883 HydrophobicContact CG-CG 3.73Å; P878-Y883 WeakPolarHBondContact O-CB 3.43Å; P878-T980 HydrophobicContact CG-CG2 4.49Å
879S93.6Very high82.6Confident25 Ų2556.1 Ų56.118%0.17533%0.325CS..SBendtrans-84.753.8-178.3-49.30000112.9R45R45-S879 WeakPolarHBondContact CD-O 3.38Å; R45-S879 PolarHBondContact NH1-O 3.02Å
880F96.1Very high83.4Confident3 Ų356.3 Ų56.31%0.01333%0.328CS..SBendtrans-153.7162.6172.264.6-98.9000112.9H42 W43 K44 R45 P878 Y883 L884 N958 T980H42-F880 WeakPolarHBondContact O-CD2 3.32Å; W43-F880 HydrophobicContact CE3-CD2 4.21Å; W43-F880 AromaticContact CE3-CE2 3.54Å; W43-F880 HydrophobicContact CE3-CE2 3.54Å; W43-F880 AromaticContact CE3-CZ 3.91Å; W43-F880 HydrophobicContact CE3-CZ 3.91Å; W43-F880 AromaticContact CZ3-CE2 3.72Å; W43-F880 HydrophobicContact CZ3-CE2 3.72Å; W43-F880 AromaticContact CZ3-CZ 3.73Å; W43-F880 HydrophobicContact CZ3-CZ 3.73Å; K44-F880 CarbonylContact O-C 3.26Å; K44-F880 WeakPolarHBondContact O-CA 3.26Å; R45-F880 HydrophobicContact CG-CB 4.07Å; P878-F880 HydrophobicContact CB-CD1 3.71Å; P878-F880 HydrophobicContact CB-CE1 3.42Å; P878-F880 VanDerWaalsContact CB-CE1 3.42Å; P878-F880 HydrophobicContact CB-CZ 4.14Å; P878-F880 HydrophobicContact CG-CD1 4.09Å; P878-F880 HydrophobicContact CG-CE1 3.62Å; P878-F880 HydrophobicContact CG-CE2 4.42Å; P878-F880 HydrophobicContact CG-CZ 3.81Å; P878-F880 PolarHBondContact O-N 3.39Å; F880-Y883 HydrophobicContact CD2-CD2 4.21Å; F880-Y883 AromaticContact CE2-CD2 3.92Å; F880-Y883 HydrophobicContact CE2-CD2 3.92Å; F880-Y883 AromaticContact CE2-CE2 3.89Å; F880-Y883 HydrophobicContact CE2-CE2 3.89Å; F880-Y883 HydrophobicContact CZ-CD2 4.4Å; F880-Y883 HydrophobicContact CZ-CE2 4.37Å; F880-Y883 WeakPolarHBondContact O-CB 3.26Å; F880-Y883 PolarHBondContact O-N 3.12Å; F880-L884 PolarHBondContact O-N 3.06Å; F880-N958 HydrophobicContact CE1-CB 4.31Å; F880-T980 VanDerWaalsContact CE1-O 3.31Å; F880-T980 WeakPolarHBondContact CE1-O 3.39Å; F880-T980 VanDerWaalsContact CZ-O 3.29Å; F880-T980 WeakPolarHBondContact CZ-O 3.31Å
881G95.3Very high84.6Confident7 Ų755.2 Ų55.27%0.07231%0.307CS..Hα-helixtrans58.2-141.9167.900000114.4H42 K44 Y883 L884 Q885H42-G881 VanDerWaalsContact O-CA 3.25Å; H42-G881 WeakPolarHBondContact O-CA 3.49Å; K44-G881 PolarHBondContact O-N 3.08Å; G881-Y883 PolarHBondContact O-N 3.09Å; G881-L884 PolarHBondContact O-N 2.86Å; G881-Q885 PolarHBondContact O-N 2.83Å
882P93.9Very high85.9Confident45 Ų4551.7 Ų51.729%0.29229%0.29SS..Hα-helixtrans-64.5-26.7178.526.8-34000112.6Q885 Q886P882-Q885 WeakPolarHBondContact O-CB 3.47Å; P882-Q885 PolarHBondContact O-N 2.73Å; P882-Q886 WeakPolarHBondContact O-CG 3.27Å; P882-Q886 PolarHBondContact O-N 2.82Å
883Y94.1Very high87.1Confident35 Ų3555 Ų5514%0.13730%0.303CS..Hα-helixtrans-68.5-39.3178.6-46.2-71.9000111.8H42 L877 P878 F880 G881 Q885 Q886 R887 T980H42-Y883 AromaticContact CE1-CE2 3.73Å; H42-Y883 AromaticContact CE1-CZ 3.87Å; H42-Y883 PolarHBondContact CE1-OH 3.32Å; H42-Y883 VanDerWaalsContact CE1-OH 3.3Å; H42-Y883 AromaticContact NE2-CE2 3.88Å; L877-Y883 HydrophobicContact CD2-CD1 4.02Å; P878-Y883 HydrophobicContact CG-CD2 3.51Å; P878-Y883 HydrophobicContact CG-CE2 4.15Å; P878-Y883 HydrophobicContact CG-CG 3.73Å; P878-Y883 WeakPolarHBondContact O-CB 3.43Å; F880-Y883 HydrophobicContact CD2-CD2 4.21Å; F880-Y883 AromaticContact CE2-CD2 3.92Å; F880-Y883 HydrophobicContact CE2-CD2 3.92Å; F880-Y883 AromaticContact CE2-CE2 3.89Å; F880-Y883 HydrophobicContact CE2-CE2 3.89Å; F880-Y883 HydrophobicContact CZ-CD2 4.4Å; F880-Y883 HydrophobicContact CZ-CE2 4.37Å; F880-Y883 WeakPolarHBondContact O-CB 3.26Å; F880-Y883 PolarHBondContact O-N 3.12Å; G881-Y883 PolarHBondContact O-N 3.09Å; Y883-Q885 VanDerWaalsContact C-N 3.32Å; Y883-Q885 PolarHBondContact O-N 3.19Å; Y883-Q886 PolarHBondContact O-N 2.79Å; Y883-R887 WeakPolarHBondContact O-CG 3.32Å; Y883-R887 PolarHBondContact O-N 3.15Å; Y883-T980 HydrophobicContact CE1-CG2 4.11Å; Y883-T980 HydrophobicContact CE2-CG2 4.46Å
884L92.8Very high88.5Confident58 Ų5852.9 Ų52.930%0.30428%0.283SS..Hα-helixtrans-64-37.6173.9179.960.7000111.9F880 G881 R887 T888F880-L884 PolarHBondContact O-N 3.06Å; G881-L884 PolarHBondContact O-N 2.86Å; L884-R887 PolarHBondContact O-N 3.36Å; L884-T888 WeakPolarHBondContact O-CB 3.24Å; L884-T888 PolarHBondContact O-N 2.82Å; L884-T888 PolarHBondContact O-OG1 3.44Å
885Q91.3Very high90Very high111 Ų11149.2 Ų49.252%0.51924%0.243SC..Hα-helixtrans-62.2-49.1174.9-66.6176-10.500110.5G881 P882 Y883 R887 T888 E889G881-Q885 PolarHBondContact O-N 2.83Å; P882-Q885 WeakPolarHBondContact O-CB 3.47Å; P882-Q885 PolarHBondContact O-N 2.73Å; Y883-Q885 VanDerWaalsContact C-N 3.32Å; Y883-Q885 PolarHBondContact O-N 3.19Å; Q885-R887 VanDerWaalsContact C-N 3.34Å; Q885-R887 PolarHBondContact O-N 2.93Å; Q885-T888 WeakPolarHBondContact O-CB 3.33Å; Q885-T888 PolarHBondContact O-N 2.71Å; Q885-T888 VanDerWaalsContact O-N 3.09Å; Q885-E889 WeakPolarHBondContact O-CG 3.48Å; Q885-E889 PolarHBondContact O-N 3.41Å
886Q91.9Very high90.9Very high97 Ų9744 Ų4445%0.45323%0.225SC..Hα-helixtrans-58.1-42.8175.8-70.3175.723.800112.6L877 P882 Y883 T888 E889 A890L877-Q886 HydrophobicContact CD1-CB 3.81Å; P882-Q886 WeakPolarHBondContact O-CG 3.27Å; P882-Q886 PolarHBondContact O-N 2.82Å; Y883-Q886 PolarHBondContact O-N 2.79Å; Q886-T888 VanDerWaalsContact C-N 3.34Å; Q886-T888 PolarHBondContact O-N 3.02Å; Q886-E889 PolarHBondContact O-N 3.12Å; Q886-A890 WeakPolarHBondContact O-CB 3.29Å; Q886-A890 PolarHBondContact O-N 3.25Å
887R90.6Very high91.9Very high31 Ų3146 Ų4612%0.11723%0.231CC..Hα-helixtrans-60.5-45174.3-72.1-177.876.9111.26.2111.5V866 L872 L877 Y883 L884 Q885 A890 I891 D954V866-R887 VanDerWaalsContact CG1-NH2 3.34Å; L872-R887 HydrophobicContact CD1-CG 4.32Å; L877-R887 HydrophobicContact CB-CG 3.61Å; L877-R887 HydrophobicContact CD1-CG 3.81Å; L877-R887 HydrophobicContact CG-CG 4.38Å; L877-R887 WeakPolarHBondContact O-CD 3.4Å; L877-R887 PolarHBondContact O-NH1 3.19Å; Y883-R887 WeakPolarHBondContact O-CG 3.32Å; Y883-R887 PolarHBondContact O-N 3.15Å; L884-R887 PolarHBondContact O-N 3.36Å; Q885-R887 VanDerWaalsContact C-N 3.34Å; Q885-R887 PolarHBondContact O-N 2.93Å; R887-A890 PolarHBondContact O-N 3.49Å; R887-I891 VanDerWaalsContact O-CG1 3.27Å; R887-I891 WeakPolarHBondContact O-CG1 3.27Å; R887-I891 PolarHBondContact O-N 3.05Å; R887-D954 IonicContact NH1-OD1 3.24Å; R887-D954 IonicContact NH2-OD1 2.71Å
888T90.9Very high91.9Very high41 Ų4146 Ų4625%0.25223%0.231SC..Hα-helixtrans-64.2-42.2-178.8-540000111.2L55 L884 Q885 Q886 I891 A892L55-T888 HydrophobicContact CD1-CG2 3.95Å; L55-T888 HydrophobicContact CD2-CG2 3.8Å; L55-T888 HydrophobicContact CG-CG2 4.32Å; L884-T888 WeakPolarHBondContact O-CB 3.24Å; L884-T888 PolarHBondContact O-N 2.82Å; L884-T888 PolarHBondContact O-OG1 3.44Å; Q885-T888 WeakPolarHBondContact O-CB 3.33Å; Q885-T888 PolarHBondContact O-N 2.71Å; Q885-T888 VanDerWaalsContact O-N 3.09Å; Q886-T888 VanDerWaalsContact C-N 3.34Å; Q886-T888 PolarHBondContact O-N 3.02Å; T888-I891 PolarHBondContact O-N 2.89Å; T888-A892 WeakPolarHBondContact O-CB 3.22Å; T888-A892 PolarHBondContact O-N 2.6Å
889E91.6Very high91.6Very high133 Ų13348.2 Ų48.262%0.62124%0.238SC*.Hα-helixtrans-64.5-42.3175.2-71.9173.117900112.2Q885 Q886 A892 K893Q885-E889 WeakPolarHBondContact O-CG 3.48Å; Q885-E889 PolarHBondContact O-N 3.41Å; Q886-E889 PolarHBondContact O-N 3.12Å; E889-A892 PolarHBondContact O-N 3.44Å; E889-K893 WeakPolarHBondContact O-CB 3.13Å; E889-K893 PolarHBondContact O-N 3.32Å
890A91.2Very high91.2Very high13 Ų1355.1 Ų55.111%0.10727%0.265CS..Hα-helixtrans-63.1-43.4176.300000111.9L869 L872 Q886 R887 K893 Y894L869-A890 HydrophobicContact CD1-CB 4.01Å; L872-A890 HydrophobicContact CD1-CB 4.05Å; L872-A890 HydrophobicContact CD2-CB 4.14Å; L872-A890 HydrophobicContact CG-CB 4.08Å; Q886-A890 WeakPolarHBondContact O-CB 3.29Å; Q886-A890 PolarHBondContact O-N 3.25Å; R887-A890 PolarHBondContact O-N 3.49Å; A890-K893 PolarHBondContact O-N 2.74Å; A890-Y894 WeakPolarHBondContact O-CB 3.29Å; A890-Y894 PolarHBondContact O-N 3.27Å
891I90.9Very high90.4Very high40 Ų4057.6 Ų57.621%0.20529%0.286CS..Hα-helixtrans-60.8-49.9174.4-67.3164.5000110L867 L869 R887 T888 K893 Y894 K895L867-I891 HydrophobicContact CD1-CG1 4.3Å; L867-I891 HydrophobicContact CD1-CG2 4.15Å; L869-I891 HydrophobicContact CD1-CB 4.41Å; L869-I891 HydrophobicContact CD1-CG1 3.65Å; R887-I891 VanDerWaalsContact O-CG1 3.27Å; R887-I891 WeakPolarHBondContact O-CG1 3.27Å; R887-I891 PolarHBondContact O-N 3.05Å; T888-I891 PolarHBondContact O-N 2.89Å; I891-K893 VanDerWaalsContact C-N 3.31Å; I891-K893 PolarHBondContact O-N 3.15Å; I891-Y894 PolarHBondContact O-N 2.89Å; I891-K895 HydrophobicContact CG2-CG 4.21Å; I891-K895 WeakPolarHBondContact O-CG 3.23Å; I891-K895 PolarHBondContact O-N 3.4Å
892A92.1Very high89.4Confident13 Ų1362.3 Ų62.311%0.10731%0.31CS..Hα-helixtrans-59.7-41.3179.900000112.6K56 T888 E889 S896K56-A892 HydrophobicContact CB-CB 3.81Å; K56-A892 WeakPolarHBondContact O-CB 3.37Å; T888-A892 WeakPolarHBondContact O-CB 3.22Å; T888-A892 PolarHBondContact O-N 2.6Å; E889-A892 PolarHBondContact O-N 3.44Å; A892-S896 WeakPolarHBondContact O-CB 3.3Å; A892-S896 PolarHBondContact O-N 2.63Å
893K91.9Very high88.3Confident99 Ų9966.6 Ų66.643%0.4332%0.324SS..Hα-helixtrans-61.2-48.7174.9-177.6-172.4166.8-154.70110.9D871 E889 A890 I891 K895 S896 E897D871-K893 IonicContact OD2-NZ 3.64Å; D871-K893 PolarHBondContact OD2-NZ 3.19Å; E889-K893 WeakPolarHBondContact O-CB 3.13Å; E889-K893 PolarHBondContact O-N 3.32Å; A890-K893 PolarHBondContact O-N 2.74Å; I891-K893 VanDerWaalsContact C-N 3.31Å; I891-K893 PolarHBondContact O-N 3.15Å; K893-K895 PolarHBondContact O-N 2.9Å; K893-S896 WeakPolarHBondContact O-CB 3.4Å; K893-S896 PolarHBondContact O-N 2.8Å; K893-E897 WeakPolarHBondContact CE-OE1 3.43Å; K893-E897 IonicContact NZ-OE1 2.73Å; K893-E897 WeakPolarHBondContact O-CG 3.46Å; K893-E897 PolarHBondContact O-N 2.82Å
894Y90.8Very high86.8Confident69 Ų6968.2 Ų68.227%0.27134%0.338SS..Hα-helixtrans-59.8-46.6178.7171.5-111.8000112.5L869 A890 I891 S896 E897 L898 D905L869-Y894 HydrophobicContact CD2-CD1 3.37Å; L869-Y894 HydrophobicContact CD2-CD2 4.08Å; L869-Y894 HydrophobicContact CD2-CE1 3.85Å; L869-Y894 HydrophobicContact CD2-CG 3.49Å; L869-Y894 VanDerWaalsContact CD2-CG 3.49Å; A890-Y894 WeakPolarHBondContact O-CB 3.29Å; A890-Y894 PolarHBondContact O-N 3.27Å; I891-Y894 PolarHBondContact O-N 2.89Å; Y894-S896 VanDerWaalsContact C-N 3.3Å; Y894-S896 PolarHBondContact O-N 3.07Å; Y894-E897 PolarHBondContact O-N 3.37Å; Y894-L898 HydrophobicContact CD1-CD1 4.14Å; Y894-L898 HydrophobicContact CD2-CG 4.44Å; Y894-L898 HydrophobicContact CE1-CD1 3.58Å; Y894-L898 HydrophobicContact CE1-CG 4.35Å; Y894-L898 HydrophobicContact CE2-CD1 4.11Å; Y894-L898 HydrophobicContact CE2-CD2 4.25Å; Y894-L898 HydrophobicContact CE2-CG 4.04Å; Y894-L898 WeakPolarHBondContact O-CG 3.38Å; Y894-L898 PolarHBondContact O-N 3.44Å; Y894-D905 HydrophobicContact CE1-CB 4.5Å; Y894-D905 VanDerWaalsContact CE1-CG 3.46Å; Y894-D905 VanDerWaalsContact CE1-OD1 3.25Å; Y894-D905 WeakPolarHBondContact CE1-OD1 3.29Å; Y894-D905 VanDerWaalsContact CE1-OD2 3.31Å; Y894-D905 WeakPolarHBondContact CE1-OD2 3.07Å; Y894-D905 PolarHBondContact OH-OD1 3.23Å
895K91.4Very high85.4Confident5 Ų567.4 Ų67.42%0.02233%0.333CS..Hα-helixtrans-62-37.3176.5-62.4-64.9-170.8176.10112.3N59 N60 D62 I891 K893 L898 R899 D905N59-K895 PolarHBondContact ND2-O 3.43Å; N60-K895 HydrophobicContact CB-CG 4.14Å; D62-K895 WeakPolarHBondContact OD1-CE 3.39Å; D62-K895 IonicContact OD1-NZ 2.67Å; D62-K895 PolarHBondContact OD1-NZ 3.08Å; D62-K895 WeakPolarHBondContact OD2-CE 3.32Å; D62-K895 IonicContact OD2-NZ 3.5Å; I891-K895 HydrophobicContact CG2-CG 4.21Å; I891-K895 WeakPolarHBondContact O-CG 3.23Å; I891-K895 PolarHBondContact O-N 3.4Å; K893-K895 PolarHBondContact O-N 2.9Å; K895-L898 PolarHBondContact O-N 3.12Å; K895-R899 PolarHBondContact O-N 3.05Å; K895-D905 HydrophobicContact CD-CB 4.4Å; K895-D905 WeakPolarHBondContact CE-OD2 3.38Å; K895-D905 IonicContact NZ-OD2 3.81Å; K895-D905 PolarHBondContact NZ-OD2 3.49Å
896S89.1Confident83.8Confident30 Ų3064 Ų6421%0.2132%0.321CS..Hα-helixtrans-66.7-41174.6-174.30000112.4A892 K893 Y894 R899 K900A892-S896 WeakPolarHBondContact O-CB 3.3Å; A892-S896 PolarHBondContact O-N 2.63Å; K893-S896 WeakPolarHBondContact O-CB 3.4Å; K893-S896 PolarHBondContact O-N 2.8Å; Y894-S896 VanDerWaalsContact C-N 3.3Å; Y894-S896 PolarHBondContact O-N 3.07Å; S896-R899 WeakPolarHBondContact O-CB 3.41Å; S896-R899 PolarHBondContact O-N 3.26Å; S896-K900 WeakPolarHBondContact O-CG 3.09Å; S896-K900 PolarHBondContact O-N 3.38Å
897E90.1Very high81.9Confident90 Ų9064.7 Ų64.742%0.42133%0.331SS..Hα-helixtrans-65.3-40.4175.3-73.8175.3173.700111.9K893 Y894 R899 K900 A901K893-E897 WeakPolarHBondContact CE-OE1 3.43Å; K893-E897 IonicContact NZ-OE1 2.73Å; K893-E897 WeakPolarHBondContact O-CG 3.46Å; K893-E897 PolarHBondContact O-N 2.82Å; Y894-E897 PolarHBondContact O-N 3.37Å; E897-R899 PolarHBondContact O-N 3.43Å; E897-K900 PolarHBondContact O-N 3.18Å; E897-A901 WeakPolarHBondContact O-CB 3.36Å; E897-A901 PolarHBondContact O-N 3.45Å
898L86.9Confident79.9Confident17 Ų1768.2 Ų68.29%0.08935%0.353CS..Hα-helixtrans-58.8-45.6171.9-75.5179.4000111.9Y894 K895 K900 A901 D902 K903 D905Y894-L898 HydrophobicContact CD1-CD1 4.14Å; Y894-L898 HydrophobicContact CD2-CG 4.44Å; Y894-L898 HydrophobicContact CE1-CD1 3.58Å; Y894-L898 HydrophobicContact CE1-CG 4.35Å; Y894-L898 HydrophobicContact CE2-CD1 4.11Å; Y894-L898 HydrophobicContact CE2-CD2 4.25Å; Y894-L898 HydrophobicContact CE2-CG 4.04Å; Y894-L898 WeakPolarHBondContact O-CG 3.38Å; Y894-L898 PolarHBondContact O-N 3.44Å; K895-L898 PolarHBondContact O-N 3.12Å; L898-K900 VanDerWaalsContact C-N 3.34Å; L898-K900 PolarHBondContact O-N 3.17Å; L898-A901 PolarHBondContact O-N 3.02Å; L898-A901 VanDerWaalsContact O-N 3.16Å; L898-D902 PolarHBondContact O-N 2.97Å; L898-K903 CarbonylContact C-O 3.37Å; L898-K903 HydrophobicContact CD2-CB 3.82Å; L898-K903 PolarHBondContact O-N 3.33Å; L898-K903 VanDerWaalsContact O-O 3.05Å; L898-D905 HydrophobicContact CD1-CB 3.41Å; L898-D905 VanDerWaalsContact CD1-CB 3.41Å
899R86.1Confident78.1Confident50 Ų5069.5 Ų69.519%0.18936%0.36CS..Hα-helixtrans-56.6-47.8175.4-169.2-174.6-179.816112.8111.1E58 N59 L330 P331 C356 K895 S896 E897 A901 D902E58-R899 VanDerWaalsContact CD-NH1 3.33Å; E58-R899 VanDerWaalsContact CG-NH1 3.29Å; E58-R899 VanDerWaalsContact OE1-CD 3.23Å; E58-R899 WeakPolarHBondContact OE1-CD 3.32Å; E58-R899 IonicContact OE1-CZ 3.88Å; E58-R899 IonicContact OE1-NE 2.76Å; E58-R899 IonicContact OE1-NH1 3.79Å; E58-R899 PolarHBondContact OE1-NH1 3.41Å; N59-R899 HydrophobicContact CB-CB 4Å; N59-R899 HydrophobicContact CB-CG 4.38Å; N59-R899 PolarHBondContact ND2-N 3.29Å; L330-R899 PolarHBondContact O-NH2 3.42Å; P331-R899 PolarHBondContact O-NH2 3.47Å; C356-R899 PolarHBondContact O-NH1 2.98Å; K895-R899 PolarHBondContact O-N 3.05Å; S896-R899 WeakPolarHBondContact O-CB 3.41Å; S896-R899 PolarHBondContact O-N 3.26Å; E897-R899 PolarHBondContact O-N 3.43Å; R899-A901 VanDerWaalsContact C-N 3.27Å; R899-A901 PolarHBondContact O-N 3.35Å; R899-D902 PolarHBondContact O-N 2.91Å; R899-D902 VanDerWaalsContact O-N 3.16Å
900K85.1Confident76.1Confident171 Ų17168.7 Ų68.774%0.74336%0.36SS*.Hα-helixtrans-64.3-31.1179.6-71.1172.8-175.2172.90113.1S896 E897 L898 D902S896-K900 WeakPolarHBondContact O-CG 3.09Å; S896-K900 PolarHBondContact O-N 3.38Å; E897-K900 PolarHBondContact O-N 3.18Å; L898-K900 VanDerWaalsContact C-N 3.34Å; L898-K900 PolarHBondContact O-N 3.17Å; K900-D902 VanDerWaalsContact C-N 3.27Å
901A81Confident74.6Confident55 Ų5571 Ų7146%0.45537%0.373SS..THydrogen-bonded Turntrans-83.91.3178.400000113.6E897 L898 R899 K903E897-A901 WeakPolarHBondContact O-CB 3.36Å; E897-A901 PolarHBondContact O-N 3.45Å; L898-A901 PolarHBondContact O-N 3.02Å; L898-A901 VanDerWaalsContact O-N 3.16Å; R899-A901 VanDerWaalsContact C-N 3.27Å; R899-A901 PolarHBondContact O-N 3.35Å; A901-K903 HydrophobicContact CB-CB 4.37Å; A901-K903 HydrophobicContact CB-CD 4.14Å; A901-K903 HydrophobicContact CB-CG 4.09Å; A901-K903 PolarHBondContact O-N 2.89Å
902D73.3Confident73.4Confident106 Ų10675.7 Ų75.757%0.56740%0.398SS*.THydrogen-bonded Turntrans51.340-169.9-165.644.7000112R327 L898 R899 K900R327-D902 IonicContact NH1-OD2 3.48Å; R327-D902 PolarHBondContact NH1-OD2 3.22Å; L898-D902 PolarHBondContact O-N 2.97Å; R899-D902 PolarHBondContact O-N 2.91Å; R899-D902 VanDerWaalsContact O-N 3.16Å; K900-D902 VanDerWaalsContact C-N 3.27Å
903K70.3Confident72.6Confident135 Ų13579.3 Ų79.359%0.58741%0.409SS*.  trans-115.6148.6177.5-69.4-178.5-177.4-179.70109.7L898 A901L898-K903 CarbonylContact C-O 3.37Å; L898-K903 HydrophobicContact CD2-CB 3.82Å; L898-K903 PolarHBondContact O-N 3.33Å; L898-K903 VanDerWaalsContact O-O 3.05Å; A901-K903 HydrophobicContact CB-CB 4.37Å; A901-K903 HydrophobicContact CB-CD 4.14Å; A901-K903 HydrophobicContact CB-CG 4.09Å; A901-K903 PolarHBondContact O-N 2.89Å
904T64.2Low71.6Confident69 Ų6976.1 Ų76.142%0.42340%0.398SS..  trans-110.1147174.556.30000110V906T904-V906 PolarHBondContact O-N 3.03Å; T904-V906 VanDerWaalsContact O-N 3.16Å
905D63.5Low70.3Confident40 Ų4078.3 Ų78.321%0.21441%0.414CS..  trans-80.817.7-179-157.323.8000113.5Y894 K895 L898 T907Y894-D905 HydrophobicContact CE1-CB 4.5Å; Y894-D905 VanDerWaalsContact CE1-CG 3.46Å; Y894-D905 VanDerWaalsContact CE1-OD1 3.25Å; Y894-D905 WeakPolarHBondContact CE1-OD1 3.29Å; Y894-D905 VanDerWaalsContact CE1-OD2 3.31Å; Y894-D905 WeakPolarHBondContact CE1-OD2 3.07Å; Y894-D905 PolarHBondContact OH-OD1 3.23Å; K895-D905 HydrophobicContact CD-CB 4.4Å; K895-D905 WeakPolarHBondContact CE-OD2 3.38Å; K895-D905 IonicContact NZ-OD2 3.81Å; K895-D905 PolarHBondContact NZ-OD2 3.49Å; L898-D905 HydrophobicContact CD1-CB 3.41Å; L898-D905 VanDerWaalsContact CD1-CB 3.41Å; D905-T907 PolarHBondContact O-N 3.38Å; D905-T907 VanDerWaalsContact O-N 3.11Å
906V56.7Low69.6Low41 Ų4185.5 Ų85.525%0.24845%0.448CS..  trans-78.9107-172.8-172.90000107.8K321 T904 D908K321-V906 HydrophobicContact CB-CB 4.42Å; K321-V906 HydrophobicContact CB-CG1 4.31Å; K321-V906 HydrophobicContact CB-CG2 4.4Å; K321-V906 HydrophobicContact CD-CB 4.41Å; K321-V906 HydrophobicContact CD-CG1 4.47Å; T904-V906 PolarHBondContact O-N 3.03Å; T904-V906 VanDerWaalsContact O-N 3.16Å; V906-D908 PolarHBondContact O-N 2.96Å
907T52.3Low69.4Low110 Ų11086.6 Ų86.668%0.67545%0.454SS*.  trans-49.8126.6163.532.80000108.8D905 T909D905-T907 PolarHBondContact O-N 3.38Å; D905-T907 VanDerWaalsContact O-N 3.11Å; T907-T909 VanDerWaalsContact C-N 3.28Å; T907-T909 PolarHBondContact O-N 3.05Å
908D49.1Very low69.4Low106 Ų10688.8 Ų88.857%0.56746%0.462SS*.  trans-66.390.5176.4-138.924.1000108.1K321 V906 N910K321-D908 IonicContact NZ-OD1 3.86Å; K321-D908 PolarHBondContact NZ-OD1 3.12Å; V906-D908 PolarHBondContact O-N 2.96Å; D908-N910 PolarHBondContact O-N 3.21Å; D908-N910 PolarHBondContact OD2-ND2 3.42Å
909T52.1Low69.7Low68 Ų6893.7 Ų93.742%0.41748%0.48SS..  trans-79.751.6175.947.90000109.4T907 V911T907-T909 VanDerWaalsContact C-N 3.28Å; T907-T909 PolarHBondContact O-N 3.05Å; T909-V911 PolarHBondContact O-N 3.44Å
910N50.6Low70.1Confident116 Ų11697 Ų9762%0.6251%0.507SS*.  trans-65.283.2167.7-88.6-32000107.9D908 N912D908-N910 PolarHBondContact O-N 3.21Å; D908-N910 PolarHBondContact OD2-ND2 3.42Å; N910-N912 VanDerWaalsContact C-N 3.33Å; N910-N912 PolarHBondContact O-N 3.48Å
911V59.5Low70.7Confident62 Ų6291 Ų9138%0.37649%0.486SS..  trans-68.499.8166.1-178.80000105.3S166 T909 R913S166-V911 VanDerWaalsContact O-CG1 3.3Å; S166-V911 WeakPolarHBondContact O-CG1 3.33Å; T909-V911 PolarHBondContact O-N 3.44Å; V911-R913 PolarHBondContact O-N 3.32Å
912N64.4Low71.5Confident137 Ų13789 Ų8973%0.73347%0.468SS*.  trans-62.5108174.2-72.5-32.6000108.1N910 V914N910-N912 VanDerWaalsContact C-N 3.33Å; N910-N912 PolarHBondContact O-N 3.48Å; N912-V914 PolarHBondContact O-N 3.11Å
913R75.6Confident72.7Confident90 Ų9085.4 Ų85.434%0.3445%0.452SS..  trans-60.6126.7173.7-59.6-168.168.4-169.3-2.4108.9P171 D252 V911 N915P171-R913 VanDerWaalsContact CB-NH2 3.32Å; D252-R913 IonicContact OD1-CZ 3.54Å; D252-R913 IonicContact OD1-NH1 3.81Å; D252-R913 PolarHBondContact OD1-NH1 3.19Å; D252-R913 IonicContact OD1-NH2 3.54Å; D252-R913 PolarHBondContact OD1-NH2 3.4Å; D252-R913 IonicContact OD2-CZ 2.68Å; D252-R913 IonicContact OD2-NH1 2.81Å; D252-R913 IonicContact OD2-NH2 2.78Å; D252-R913 PolarHBondContact OD2-NH2 3.03Å; V911-R913 PolarHBondContact O-N 3.32Å; R913-N915 PolarHBondContact O-N 3.42Å
914V70.9Confident74Confident31 Ų3179 Ų7919%0.18842%0.424CS..  trans-98.191.6-179.7-170.30000107.8G169 L845 N912 Q916G169-V914 PolarHBondContact O-N 3.47Å; L845-V914 HydrophobicContact CD2-CG1 3.82Å; N912-V914 PolarHBondContact O-N 3.11Å; V914-Q916 VanDerWaalsContact C-N 3.3Å; V914-Q916 PolarHBondContact O-N 3.06Å
915N64.6Low75.6Confident115 Ų11582.9 Ų82.962%0.61544%0.436SS*.  trans-73-22.2-173.2-67-18.7000113.3R913R913-N915 PolarHBondContact O-N 3.42Å
916Q75.8Confident77.3Confident156 Ų15684.5 Ų84.573%0.72944%0.444SS*.SBendtrans-147146.6178.4-66.2-172.6-0.500112V914V914-Q916 VanDerWaalsContact C-N 3.3Å; V914-Q916 PolarHBondContact O-N 3.06Å
917P86.4Confident79.2Confident53 Ų5382.5 Ų82.534%0.34443%0.432SS..  trans-52.2139.4167.5-29.638000113.1Y841 S844 R919Y841-P917 HydrophobicContact CE2-CG 3.96Å; S844-P917 WeakPolarHBondContact OG-CB 3.28Å; P917-R919 VanDerWaalsContact C-N 3.32Å; P917-R919 WeakPolarHBondContact CB-O 3.39Å
918K89.6Confident81.4Confident136 Ų13679.4 Ų79.459%0.59141%0.411SS*.SBendtrans-78.6-19.2174.6-66.2179.7-178.4166.10113.1S844 L845 E846S844-K918 PolarHBondContact O-N 2.91Å; L845-K918 PolarHBondContact O-NZ 2.74Å; E846-K918 HydrophobicContact CB-CD 4.19Å; E846-K918 HydrophobicContact CG-CD 4.12Å; E846-K918 VanDerWaalsContact OE2-CD 3.24Å; E846-K918 WeakPolarHBondContact OE2-CD 3.17Å; E846-K918 IonicContact OE2-NZ 2.75Å
919R92.5Very high83.8Confident121 Ų12176 Ų7646%0.45740%0.398SS..SBendtrans-146.9165.9178.261.5179.3176.9176.2-6.9110.3K843 S844 P917 V921K843-R919 PolarHBondContact O-NE 3.02Å; K843-R919 PolarHBondContact O-NH2 2.92Å; S844-R919 WeakPolarHBondContact CB-O 3.44Å; S844-R919 PolarHBondContact O-N 3.33Å; P917-R919 VanDerWaalsContact C-N 3.32Å; P917-R919 WeakPolarHBondContact CB-O 3.39Å; R919-V921 PolarHBondContact O-N 3.16Å
920P95.4Very high85.9Confident118 Ų11877.9 Ų77.977%0.76640%0.397SS*.PPolyproline II helixtrans-56139.8173.9-25.735.4000112
921V96.9Very high88.2Confident47 Ų4773.9 Ų73.929%0.28538%0.38SS..PPolyproline II helixtrans-66.8126.3172.9-1790000108.4V533 L840 Y841 R919V533-V921 HydrophobicContact CG1-CG1 3.82Å; V533-V921 HydrophobicContact CG2-CG1 3.98Å; L840-V921 HydrophobicContact CB-CG1 4.09Å; Y841-V921 HydrophobicContact CD2-CG2 3.91Å; Y841-V921 HydrophobicContact CE2-CG2 4.4Å; R919-V921 PolarHBondContact O-N 3.16Å
922P97.8Very high90Very high13 Ų1372.2 Ų72.28%0.08437%0.369CS..PPolyproline II helixtrans-64136178.1-18.731.2000111.2L840 K843 D926 V927L840-P922 HydrophobicContact CD2-CB 4.44Å; L840-P922 WeakPolarHBondContact O-CD 3.48Å; K843-P922 HydrophobicContact CB-CG 4.27Å; K843-P922 HydrophobicContact CD-CG 4.43Å; P922-D926 HydrophobicContact CB-CB 4.18Å; P922-V927 HydrophobicContact CB-CG1 4.15Å
923A98.3Very high91.6Very high29 Ų2974.7 Ų74.724%0.2437%0.368CS..PPolyproline II helixtrans-76.9166.8167.100000110.6K925 D926A923-K925 VanDerWaalsContact C-N 3.28Å; A923-K925 HydrophobicContact CB-CG 4.11Å; A923-K925 PolarHBondContact O-N 3.11Å; A923-D926 PolarHBondContact N-OD2 2.67Å; A923-D926 WeakPolarHBondContact O-CB 3.23Å; A923-D926 PolarHBondContact O-N 3.09Å
924V98.3Very high92.6Very high0 Ų078.3 Ų78.30%038%0.383CS..Hα-helixtrans-55.1-44.7176.9171.50000111.4I535 V537 L808 L836 L840 D926 V927 I928I535-V924 HydrophobicContact CB-CG2 4.33Å; I535-V924 WeakPolarHBondContact O-CG2 3.31Å; V537-V924 HydrophobicContact CB-CB 4.21Å; V537-V924 HydrophobicContact CB-CG1 3.9Å; V537-V924 HydrophobicContact CG1-CG1 4.48Å; V537-V924 HydrophobicContact CG2-CB 4.49Å; V537-V924 HydrophobicContact CG2-CG1 3.93Å; L808-V924 HydrophobicContact CD1-CG1 4.04Å; L808-V924 HydrophobicContact CD2-CG1 4.09Å; L836-V924 HydrophobicContact CD2-CG2 4.26Å; L840-V924 HydrophobicContact CD1-CG2 4.35Å; V924-D926 PolarHBondContact O-N 3.04Å; V924-D926 VanDerWaalsContact O-N 3.13Å; V924-V927 WeakPolarHBondContact O-CG2 3.32Å; V924-V927 PolarHBondContact O-N 2.77Å; V924-V927 VanDerWaalsContact O-N 3.13Å; V924-I928 WeakPolarHBondContact O-CG1 3.41Å; V924-I928 PolarHBondContact O-N 3.15Å
925K97.7Very high93.9Very high152 Ų15279.9 Ų79.966%0.66139%0.39SS*.Hα-helixtrans-56.3-31.2177.569.6-178.7-178.8-178.10113.5A923 V927A923-K925 VanDerWaalsContact C-N 3.28Å; A923-K925 HydrophobicContact CB-CG 4.11Å; A923-K925 PolarHBondContact O-N 3.11Å; K925-V927 VanDerWaalsContact C-N 3.29Å; K925-V927 PolarHBondContact O-N 3.16Å
926D98Very high95.3Very high73 Ų7375.9 Ų75.939%0.3938%0.375SS..Hα-helixtrans-76-21.9-174.8-58.2-37.6000111.7P922 A923 V924 R930P922-D926 HydrophobicContact CB-CB 4.18Å; A923-D926 PolarHBondContact N-OD2 2.67Å; A923-D926 WeakPolarHBondContact O-CB 3.23Å; A923-D926 PolarHBondContact O-N 3.09Å; V924-D926 PolarHBondContact O-N 3.04Å; V924-D926 VanDerWaalsContact O-N 3.13Å; D926-R930 PolarHBondContact O-NE 2.93Å; D926-R930 PolarHBondContact O-NH2 3.03Å
927V98.1Very high96.3Very high0 Ų071.1 Ų71.10%036%0.363CS..Hα-helixtrans-98.2-12.3-179.1-61.70000113.3L805 L808 H809 L840 P922 V924 K925 A929 R930L805-V927 HydrophobicContact CD1-CB 4.33Å; L805-V927 HydrophobicContact CD1-CG2 3.89Å; L808-V927 HydrophobicContact CB-CG2 4.43Å; L808-V927 HydrophobicContact CD1-CG2 4.46Å; H809-V927 PolarHBondContact CD2-O 3.17Å; H809-V927 VanDerWaalsContact CD2-O 3.25Å; L840-V927 HydrophobicContact CD2-CG1 3.87Å; L840-V927 HydrophobicContact CD2-CG2 4.22Å; P922-V927 HydrophobicContact CB-CG1 4.15Å; V924-V927 WeakPolarHBondContact O-CG2 3.32Å; V924-V927 PolarHBondContact O-N 2.77Å; V924-V927 VanDerWaalsContact O-N 3.13Å; K925-V927 VanDerWaalsContact C-N 3.29Å; K925-V927 PolarHBondContact O-N 3.16Å; V927-A929 PolarHBondContact O-N 3.15Å; V927-R930 PolarHBondContact O-N 2.81Å
928I98.6Very high96.8Very high44 Ų4478 Ų7823%0.22638%0.384CS..THydrogen-bonded Turntrans-57.8136178.2-65174.2000110.3V537 L808 V924 R930V537-I928 HydrophobicContact CG2-CD1 4.44Å; L808-I928 CarbonylContact O-C 3.55Å; L808-I928 VanDerWaalsContact O-CA 3.28Å; L808-I928 WeakPolarHBondContact O-CA 3.39Å; V924-I928 WeakPolarHBondContact O-CG1 3.41Å; V924-I928 PolarHBondContact O-N 3.15Å; I928-R930 PolarHBondContact O-N 2.94Å
929A97.9Very high97.1Very high36 Ų3675.2 Ų75.230%0.29839%0.393SS..THydrogen-bonded Turntrans62.29.4175.300000116.5L808 H809 V927 A931 L932L808-A929 PolarHBondContact O-N 3.27Å; H809-A929 CarbonylContact O-C 3Å; H809-A929 WeakPolarHBondContact O-CA 3.45Å; H809-A929 PolarHBondContact O-N 3.12Å; V927-A929 PolarHBondContact O-N 3.15Å; A929-A931 PolarHBondContact O-N 3.3Å; A929-A931 VanDerWaalsContact O-N 3.17Å; A929-L932 HydrophobicContact CB-CD1 3.73Å; A929-L932 HydrophobicContact CB-CG 4.04Å; A929-L932 WeakPolarHBondContact O-CB 3.45Å; A929-L932 WeakPolarHBondContact O-CG 3.37Å; A929-L932 PolarHBondContact O-N 3.28Å; A929-L932 VanDerWaalsContact O-N 3.12Å
930R97.4Very high97.3Very high107 Ų10775.8 Ų75.840%0.40440%0.401SS..THydrogen-bonded Turntrans-61.1-25.7-179.9-76.2-166.3178.8-170.75.8114.6H809 D926 V927 I928 L932H809-R930 PolarHBondContact O-N 3.12Å; D926-R930 PolarHBondContact O-NE 2.93Å; D926-R930 PolarHBondContact O-NH2 3.03Å; V927-R930 PolarHBondContact O-N 2.81Å; I928-R930 PolarHBondContact O-N 2.94Å; R930-L932 VanDerWaalsContact C-N 3.34Å
931A98Very high97.4Very high31 Ų3175.2 Ų75.226%0.25639%0.39SS..THydrogen-bonded Turntrans-78.8-18179.500000113.1H809 A929 R933 Y934H809-A931 HydrophobicContact CB-CB 3.89Å; H809-A931 WeakPolarHBondContact O-CB 3.26Å; H809-A931 PolarHBondContact O-N 3.02Å; A929-A931 PolarHBondContact O-N 3.3Å; A929-A931 VanDerWaalsContact O-N 3.17Å; A931-R933 PolarHBondContact O-N 3.49Å; A931-R933 VanDerWaalsContact O-N 3.16Å; A931-Y934 PolarHBondContact O-N 3.39Å
932L97.8Very high97.2Very high28 Ų2876.9 Ų76.915%0.14740%0.398CS..G310 helixtrans-61.4-30.5-172.5-62.6-170.3000113.4A784 R785 A810 A929 R930 Y934 I935A784-L932 HydrophobicContact CB-CD1 3.84Å; R785-L932 HydrophobicContact CG-CB 4.2Å; R785-L932 HydrophobicContact CG-CD1 3.94Å; R785-L932 HydrophobicContact CG-CD2 3.86Å; R785-L932 HydrophobicContact CG-CG 4.22Å; A810-L932 WeakPolarHBondContact O-CD2 3.4Å; A929-L932 HydrophobicContact CB-CD1 3.73Å; A929-L932 HydrophobicContact CB-CG 4.04Å; A929-L932 WeakPolarHBondContact O-CB 3.45Å; A929-L932 WeakPolarHBondContact O-CG 3.37Å; A929-L932 PolarHBondContact O-N 3.28Å; A929-L932 VanDerWaalsContact O-N 3.12Å; R930-L932 VanDerWaalsContact C-N 3.34Å; L932-Y934 PolarHBondContact O-N 2.86Å; L932-Y934 VanDerWaalsContact O-N 3.14Å; L932-I935 HydrophobicContact CD2-CD1 4.27Å; L932-I935 PolarHBondContact O-N 3.35Å; L932-I935 VanDerWaalsContact O-N 3.11Å
933R97.1Very high97.1Very high189 Ų18981.5 Ų81.571%0.71342%0.422SS*.G310 helixtrans-63-15.9176.870-175.1177.4179.80.5114.4A931A931-R933 PolarHBondContact O-N 3.49Å; A931-R933 VanDerWaalsContact O-N 3.16Å
934Y97.8Very high96.8Very high165 Ų16587.6 Ų87.665%0.64745%0.447SS*.G310 helixtrans-101.40.3179.4-54.3-69.1000112.9A931 L932A931-Y934 PolarHBondContact O-N 3.39Å; L932-Y934 PolarHBondContact O-N 2.86Å; L932-Y934 VanDerWaalsContact O-N 3.14Å
935I97.2Very high96.7Very high65 Ų6594.4 Ų94.433%0.33348%0.479SS..  trans-111.2112.9-174.9-56.1173.9000108.4R785 L932R785-I935 PolarHBondContact NE-O 3.23Å; R785-I935 PolarHBondContact NH1-O 2.9Å; R785-I935 VanDerWaalsContact NH1-O 3.16Å; R785-I935 PolarHBondContact NH2-O 3Å; L932-I935 HydrophobicContact CD2-CD1 4.27Å; L932-I935 PolarHBondContact O-N 3.35Å; L932-I935 VanDerWaalsContact O-N 3.11Å
936G94.9Very high96.7Very high30 Ų3089.7 Ų89.731%0.30946%0.459SS..  trans-139.7-178.6-174.300000113.3E940G936-E940 VanDerWaalsContact CA-OE2 3.27Å; G936-E940 WeakPolarHBondContact CA-OE2 3.3Å
937A96.3Very high96.7Very high57 Ų5788.3 Ų88.347%0.47145%0.454SS..  trans-68.9157.6167.400000110.8G939 E940A937-G939 PolarHBondContact O-N 3.32Å; A937-E940 HydrophobicContact CB-CG 4.42Å; A937-E940 WeakPolarHBondContact CB-OE1 3.36Å; A937-E940 VanDerWaalsContact N-CD 3.35Å; A937-E940 PolarHBondContact N-OE1 2.83Å; A937-E940 WeakPolarHBondContact O-CB 3.41Å; A937-E940 PolarHBondContact O-N 3.16Å
938Y96.6Very high96.6Very high198 Ų19890 Ų9078%0.77646%0.462SS*.G310 helixtrans-56.7-36.2178.2-179.1-93.2000112.9E940 L941Y938-E940 PolarHBondContact O-N 2.88Å; Y938-L941 HydrophobicContact CD2-CD1 4.03Å; Y938-L941 HydrophobicContact CE2-CD1 4.5Å; Y938-L941 WeakPolarHBondContact O-CB 3.44Å; Y938-L941 WeakPolarHBondContact O-CG 3.45Å; Y938-L941 PolarHBondContact O-N 3.19Å
939G96.6Very high96.6Very high76 Ų7688.1 Ų88.178%0.78445%0.452SS*.G310 helixtrans-67-12.8178.500000114.9A937A937-G939 PolarHBondContact O-N 3.32Å
940E96.8Very high96.6Very high134 Ų13491.1 Ų91.163%0.62646%0.463SS*.G310 helixtrans-85.4-11174.2-61.5164.8-136.500112G936 A937 Y938G936-E940 VanDerWaalsContact CA-OE2 3.27Å; G936-E940 WeakPolarHBondContact CA-OE2 3.3Å; A937-E940 HydrophobicContact CB-CG 4.42Å; A937-E940 WeakPolarHBondContact CB-OE1 3.36Å; A937-E940 VanDerWaalsContact N-CD 3.35Å; A937-E940 PolarHBondContact N-OE1 2.83Å; A937-E940 WeakPolarHBondContact O-CB 3.41Å; A937-E940 PolarHBondContact O-N 3.16Å; Y938-E940 PolarHBondContact O-N 2.88Å
941L96.6Very high96.6Very high105 Ų10586.9 Ų86.955%0.5545%0.448SS..SBendtrans-81.8131.7179.8-54.6179.3000110.4Y938 N943Y938-L941 HydrophobicContact CD2-CD1 4.03Å; Y938-L941 HydrophobicContact CE2-CD1 4.5Å; Y938-L941 WeakPolarHBondContact O-CB 3.44Å; Y938-L941 WeakPolarHBondContact O-CG 3.45Å; Y938-L941 PolarHBondContact O-N 3.19Å; L941-N943 PolarHBondContact O-N 2.91Å; L941-N943 VanDerWaalsContact O-N 3.14Å
942N94.6Very high96.5Very high82 Ų8287 Ų8744%0.43944%0.444SS..  trans-72.8107.5-179.3-169.2-16.4000111.1M944 E945N942-M944 VanDerWaalsContact C-N 3.27Å; N942-M944 PolarHBondContact O-N 3.29Å; N942-M944 WeakPolarHBondContact OD1-CA 3.09Å; N942-M944 VanDerWaalsContact OD1-CB 3.28Å; N942-M944 WeakPolarHBondContact OD1-CB 3.45Å; N942-M944 PolarHBondContact OD1-N 3.28Å; N942-E945 HydrophobicContact CB-CB 4.31Å; N942-E945 HydrophobicContact CB-CG 4.48Å; N942-E945 WeakPolarHBondContact CB-OE2 3.44Å; N942-E945 VanDerWaalsContact ND2-CG 3.26Å; N942-E945 WeakPolarHBondContact ND2-CG 3.48Å; N942-E945 PolarHBondContact ND2-OE2 3.43Å; N942-E945 PolarHBondContact OD1-N 3.01Å
943N94.1Very high96.3Very high111 Ų11188.5 Ų88.559%0.59445%0.451SS*.SBendtrans-82.2-1.5177.566.412.1000113.9L941 Q946L941-N943 PolarHBondContact O-N 2.91Å; L941-N943 VanDerWaalsContact O-N 3.14Å; N943-Q946 PolarHBondContact O-NE2 3.15Å
944M93.4Very high96Very high156 Ų15681.5 Ų81.577%0.76843%0.427SS*.SBendtrans-93.1-27.7175.5-56.7-61.5-68.400112.3N942 Q946N942-M944 VanDerWaalsContact C-N 3.27Å; N942-M944 PolarHBondContact O-N 3.29Å; N942-M944 WeakPolarHBondContact OD1-CA 3.09Å; N942-M944 VanDerWaalsContact OD1-CB 3.28Å; N942-M944 WeakPolarHBondContact OD1-CB 3.45Å; N942-M944 PolarHBondContact OD1-N 3.28Å; M944-Q946 PolarHBondContact O-N 3.02Å
945E95Very high95.9Very high144 Ų14473.9 Ų73.967%0.67340%0.398SS*.SBendtrans-84.562.7177.5-73.8173.115500111.5N942N942-E945 HydrophobicContact CB-CB 4.31Å; N942-E945 HydrophobicContact CB-CG 4.48Å; N942-E945 WeakPolarHBondContact CB-OE2 3.44Å; N942-E945 VanDerWaalsContact ND2-CG 3.26Å; N942-E945 WeakPolarHBondContact ND2-CG 3.48Å; N942-E945 PolarHBondContact ND2-OE2 3.43Å; N942-E945 PolarHBondContact OD1-N 3.01Å
946Q97.3Very high95.9Very high52 Ų5271.4 Ų71.424%0.24339%0.386CS..  trans-75.3155.8-180-63.9-66.3-31.900112N943 M944 R1010 H1014N943-Q946 PolarHBondContact O-NE2 3.15Å; M944-Q946 PolarHBondContact O-N 3.02Å; Q946-R1010 HydrophobicContact CB-CB 4.4Å; Q946-R1010 VanDerWaalsContact O-CB 3.3Å; Q946-R1010 WeakPolarHBondContact O-CB 3.25Å; Q946-R1010 PolarHBondContact O-N 3.39Å; Q946-H1014 HydrophobicContact CB-CB 4.04Å; Q946-H1014 HydrophobicContact CG-CB 3.73Å
947V97.8Very high96Very high45 Ų4573.1 Ų73.127%0.27339%0.388SS..EExtended strand (participates in β ladder)trans-118.5166177.8-65.20000111.4G991 M1007 V1008V947-G991 WeakPolarHBondContact O-CA 3.48Å; V947-G991 PolarHBondContact O-N 3.22Å; V947-M1007 HydrophobicContact CB-CB 4.27Å; V947-M1007 HydrophobicContact CB-CE 4.34Å; V947-M1007 HydrophobicContact CG2-CB 4.2Å; V947-M1007 HydrophobicContact CG2-CE 3.64Å; V947-V1008 CarbonylContact C-O 3.51Å; V947-V1008 WeakPolarHBondContact CA-O 3.35Å; V947-V1008 VanDerWaalsContact CB-O 3.32Å; V947-V1008 WeakPolarHBondContact CB-O 3.43Å
948Q97.5Very high96.1Very high35 Ų3571 Ų7116%0.16437%0.368CS..EExtended strand (participates in β ladder)trans-134.7152.6169.664.8-172.713.700110C989 V1008Q948-C989 HydrophobicContact CB-CB 4.31Å; Q948-V1008 HydrophobicContact CG-CG2 3.76Å; Q948-V1008 PolarHBondContact N-O 2.6Å; Q948-V1008 PolarHBondContact O-N 3.26Å
949A98.3Very high96.2Very high4 Ų464.2 Ų64.23%0.03335%0.349CS..EExtended strand (participates in β ladder)trans-75.3140.2176.300000110.4V985 C995 I1005 N1006 M1007A949-V985 HydrophobicContact CB-CG1 4.38Å; A949-V985 HydrophobicContact CB-CG2 4.16Å; A949-V985 WeakPolarHBondContact O-CG1 3.37Å; A949-C995 VanDerWaalsContact CB-SG 3.55Å; A949-I1005 HydrophobicContact CB-CG2 3.97Å; A949-N1006 CarbonylContact C-O 3.6Å; A949-N1006 WeakPolarHBondContact CA-O 3.24Å; A949-M1007 HydrophobicContact CB-CE 4.34Å; A949-M1007 HydrophobicContact CB-SD 4.14Å
950L97.9Very high96.2Very high99 Ų9960.9 Ų60.952%0.51831%0.314SS..EExtended strand (participates in β ladder)trans-127.2125.7172.5179.465.7000108.5I1005 N1006 V1008L950-I1005 CarbonylContact O-C 2.86Å; L950-I1005 WeakPolarHBondContact O-CA 3.38Å; L950-N1006 PolarHBondContact N-O 3.33Å; L950-N1006 PolarHBondContact O-N 2.83Å; L950-V1008 HydrophobicContact CB-CG1 4.11Å; L950-V1008 HydrophobicContact CB-CG2 4.06Å; L950-V1008 HydrophobicContact CD2-CG1 4.01Å
951I97.1Very high96.3Very high18 Ų1858.8 Ų58.89%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-100.2129.3-179.1-53.6-178.5000109.1E953 P983 V985 C1004 I1005I951-E953 PolarHBondContact O-N 3.44Å; I951-P983 HydrophobicContact CD1-CB 3.73Å; I951-P983 HydrophobicContact CD1-CG 3.56Å; I951-P983 HydrophobicContact CG2-CG 4.16Å; I951-V985 HydrophobicContact CD1-CG2 3.84Å; I951-V985 HydrophobicContact CG1-CG2 3.84Å; I951-C1004 CarbonylContact C-O 3.48Å; I951-C1004 WeakPolarHBondContact CA-O 3.48Å; I951-I1005 HydrophobicContact CD1-CD1 4.1Å; I951-I1005 HydrophobicContact CG1-CD1 4.01Å; I951-I1005 HydrophobicContact CG1-CG1 3.94Å; I951-I1005 HydrophobicContact CG1-CG2 4.31Å; I951-I1005 HydrophobicContact CG2-CG1 4.37Å
952D95.1Very high96.4Very high33 Ų3354.3 Ų54.318%0.17628%0.281CS..  trans-83.7105.9167.5-163.3-42.8000109.7K859 D954 M955 C956 C1004K859-D952 WeakPolarHBondContact CE-OD2 3.47Å; K859-D952 WeakPolarHBondContact CG-OD2 3.41Å; K859-D952 IonicContact NZ-OD1 3.57Å; K859-D952 PolarHBondContact NZ-OD1 2.97Å; K859-D952 IonicContact NZ-OD2 3.92Å; K859-D952 PolarHBondContact NZ-OD2 2.73Å; D952-D954 VanDerWaalsContact C-N 3.27Å; D952-D954 PolarHBondContact O-N 3.5Å; D952-D954 WeakPolarHBondContact OD1-CB 3.4Å; D952-D954 PolarHBondContact OD1-N 3.01Å; D952-D954 VanDerWaalsContact OD1-N 3.09Å; D952-M955 HydrophobicContact CB-CB 4.29Å; D952-M955 HydrophobicContact CB-CG 4.17Å; D952-M955 HydrophobicContact CB-SD 4.29Å; D952-M955 PolarHBondContact O-N 3.41Å; D952-M955 VanDerWaalsContact O-N 3.15Å; D952-C956 PolarHBondContact O-N 2.91Å; D952-C1004 PolarHBondContact N-O 3Å
953E93.8Very high96.6Very high61 Ų6150.6 Ų50.629%0.28526%0.261SS..THydrogen-bonded Turntrans-69-24.6-174.1-54.7-178.9167.200113.2T876 I951 M955 C956 L982T876-E953 WeakPolarHBondContact CB-OE2 3.26Å; T876-E953 HydrophobicContact CG2-CB 3.33Å; T876-E953 HydrophobicContact CG2-CG 4.26Å; T876-E953 WeakPolarHBondContact CG2-OE2 3.35Å; T876-E953 PolarHBondContact OG1-OE2 3.27Å; I951-E953 PolarHBondContact O-N 3.44Å; E953-M955 VanDerWaalsContact C-N 3.26Å; E953-M955 PolarHBondContact O-N 2.96Å; E953-C956 WeakPolarHBondContact O-CB 3.32Å; E953-C956 PolarHBondContact O-N 3.16Å; E953-L982 HydrophobicContact CB-CD2 4.12Å
954D91.7Very high96.8Very high41 Ų4148.3 Ų48.322%0.21925%0.247CC..THydrogen-bonded Turntrans-71.2-24.1174.8-75.5-50.5000112.3K859 Q861 V866 R887 D952K859-D954 HydrophobicContact CD-CB 4.47Å; K859-D954 IonicContact NZ-OD2 3.23Å; K859-D954 PolarHBondContact NZ-OD2 2.77Å; K859-D954 VanDerWaalsContact NZ-OD2 3.13Å; Q861-D954 PolarHBondContact NE2-O 2.98Å; V866-D954 HydrophobicContact CG1-CB 4.26Å; V866-D954 HydrophobicContact CG2-CB 4.49Å; R887-D954 IonicContact NH1-OD1 3.24Å; R887-D954 IonicContact NH2-OD1 2.71Å; D952-D954 VanDerWaalsContact C-N 3.27Å; D952-D954 PolarHBondContact O-N 3.5Å; D952-D954 WeakPolarHBondContact OD1-CB 3.4Å; D952-D954 PolarHBondContact OD1-N 3.01Å; D952-D954 VanDerWaalsContact OD1-N 3.09Å
955M95Very high97.1Very high6 Ų642.1 Ų42.13%0.0322%0.218CC..THydrogen-bonded Turntrans-93.1-16.8177-61.6-171.862.100112.7T857 K859 D952 E953 I1001 I1002 C1004T857-M955 HydrophobicContact CG2-CE 3.74Å; K859-M955 HydrophobicContact CB-CG 4.31Å; K859-M955 HydrophobicContact CG-CG 4.28Å; K859-M955 HydrophobicContact CG-SD 4.39Å; D952-M955 HydrophobicContact CB-CB 4.29Å; D952-M955 HydrophobicContact CB-CG 4.17Å; D952-M955 HydrophobicContact CB-SD 4.29Å; D952-M955 PolarHBondContact O-N 3.41Å; D952-M955 VanDerWaalsContact O-N 3.15Å; E953-M955 VanDerWaalsContact C-N 3.26Å; E953-M955 PolarHBondContact O-N 2.96Å; M955-I1001 HydrophobicContact CB-CG2 4.4Å; M955-I1001 HydrophobicContact CE-CG2 3.94Å; M955-I1002 WeakPolarHBondContact CE-O 3.26Å; M955-C1004 HydrophobicContact CB-CB 3.82Å
956C96.8Very high97.3Very high13 Ų1336 Ų369%0.08819%0.191CC..  trans-61.9138.2-177.8-174.50000111.4Q861 D952 E953 N958 L982 P983Q861-C956 PolarHBondContact NE2-O 3.44Å; Q861-C956 VanDerWaalsContact NE2-O 3.15Å; D952-C956 PolarHBondContact O-N 2.91Å; E953-C956 WeakPolarHBondContact O-CB 3.32Å; E953-C956 PolarHBondContact O-N 3.16Å; C956-N958 PolarHBondContact SG-N 2.99Å; C956-L982 HydrophobicContact CB-CD2 4.22Å; C956-P983 VanDerWaalsContact SG-CD 3.56Å
957I97.5Very high97.3Very high66 Ų6633.9 Ų33.934%0.33818%0.182SC..  trans-108.115.4172.764.2160.6000112.9R45 C959 P1000 I1001R45-I957 PolarHBondContact NH2-O 3.14Å; I957-C959 VanDerWaalsContact C-N 3.3Å; I957-C959 PolarHBondContact O-N 3.5Å; I957-P1000 HydrophobicContact CD1-CB 4.49Å; I957-P1000 HydrophobicContact CD1-CG 3.8Å; I957-P1000 HydrophobicContact CG1-CG 4.17Å; I957-I1001 HydrophobicContact CD1-CD1 4.09Å; I957-I1001 HydrophobicContact CD1-CG1 4.31Å; I957-I1001 HydrophobicContact CG1-CD1 4.24Å; I957-I1001 HydrophobicContact CG1-CG1 4.01Å; I957-I1001 HydrophobicContact CG2-CD1 3.83Å; I957-I1001 HydrophobicContact CG2-CG1 3.98Å
958N98.3Very high97.4Very high11 Ų1136.9 Ų36.96%0.05920%0.196CC..  trans63.627.1168.5-43.7100.7000115.1R45 F880 C956 G960 T980 H981 L982R45-N958 PolarHBondContact NH2-OD1 2.87Å; F880-N958 HydrophobicContact CE1-CB 4.31Å; C956-N958 PolarHBondContact SG-N 2.99Å; N958-G960 PolarHBondContact O-N 2.9Å; N958-T980 PolarHBondContact ND2-O 3.47Å; N958-H981 WeakPolarHBondContact CA-O 3.26Å; N958-H981 HydrophobicContact CB-CB 3.73Å; N958-H981 VanDerWaalsContact CB-O 3.29Å; N958-H981 WeakPolarHBondContact CB-O 3.42Å; N958-H981 PolarHBondContact ND2-O 2.92Å; N958-L982 WeakPolarHBondContact ND2-CD2 3.5Å
959C98.3Very high97.4Very high57 Ų5739.1 Ų39.139%0.38522%0.215SC..  trans-78.5-15.4-174.9710000114.7I957 K961I957-C959 VanDerWaalsContact C-N 3.3Å; I957-C959 PolarHBondContact O-N 3.5Å; C959-K961 HydrophobicContact CB-CG 4.42Å; C959-K961 PolarHBondContact O-N 2.91Å; C959-K961 PolarHBondContact SG-N 3.2Å
960G98.4Very high97.3Very high5 Ų540 Ų405%0.05223%0.225CC..  trans67.28.8-177.900000115.3N958 C962 Y963 M964N958-G960 PolarHBondContact O-N 2.9Å; G960-C962 PolarHBondContact O-N 2.93Å; G960-Y963 WeakPolarHBondContact O-CB 3.39Å; G960-Y963 PolarHBondContact O-N 3.44Å; G960-M964 WeakPolarHBondContact O-CG 3.31Å; G960-M964 PolarHBondContact O-N 2.88Å
961K98.7Very high97.3Very high90 Ų9040 Ų4039%0.39122%0.219SC..Hα-helixtrans-62.6-41-179.7-73-173.867.266.40113.1C959 Y963 M964 T965 V998C959-K961 HydrophobicContact CB-CG 4.42Å; C959-K961 PolarHBondContact O-N 2.91Å; C959-K961 PolarHBondContact SG-N 3.2Å; K961-Y963 VanDerWaalsContact C-N 3.31Å; K961-Y963 PolarHBondContact O-N 2.96Å; K961-M964 HydrophobicContact CB-CE 4.33Å; K961-M964 HydrophobicContact CG-CE 3.83Å; K961-M964 PolarHBondContact O-N 3.23Å; K961-T965 WeakPolarHBondContact O-CB 3.23Å; K961-T965 PolarHBondContact O-N 3.22Å; K961-T965 PolarHBondContact O-OG1 2.78Å; K961-V998 HydrophobicContact CB-CG2 4.3Å; K961-V998 WeakPolarHBondContact CE-O 3.28Å
962C98.6Very high97.4Very high11 Ų1141.4 Ų41.47%0.07423%0.225CC..Hα-helixtrans-57.4-46.2173.849.70000111.4G960 C966 I974 C995 I1005G960-C962 PolarHBondContact O-N 2.93Å; C962-C966 WeakPolarHBondContact O-CB 3.42Å; C962-C966 PolarHBondContact O-N 3.43Å; C962-I974 HydrophobicContact CB-CD1 3.94Å; C962-C995 HydrophobicContact CB-CB 3.69Å; C962-I1005 HydrophobicContact CB-CD1 3.86Å
963Y98.8Very high97.6Very high4 Ų439.9 Ų39.92%0.01622%0.217CC..Hα-helixtrans-59.1-55.6175.5167.6-106.2000111.8I17 L18 L20 N21 G960 K961 T965 C966 N967 I974 F976I17-Y963 HydrophobicContact CG2-CE2 4.34Å; I17-Y963 WeakPolarHBondContact O-CE2 3.37Å; I17-Y963 PolarHBondContact O-OH 3.25Å; L18-Y963 WeakPolarHBondContact CA-OH 3.15Å; L20-Y963 HydrophobicContact CB-CE1 4.18Å; L20-Y963 PolarHBondContact N-OH 3.02Å; N21-Y963 HydrophobicContact CB-CE1 4.33Å; N21-Y963 PolarHBondContact N-OH 3Å; G960-Y963 WeakPolarHBondContact O-CB 3.39Å; G960-Y963 PolarHBondContact O-N 3.44Å; K961-Y963 VanDerWaalsContact C-N 3.31Å; K961-Y963 PolarHBondContact O-N 2.96Å; Y963-T965 VanDerWaalsContact C-N 3.34Å; Y963-T965 PolarHBondContact O-N 3.09Å; Y963-C966 PolarHBondContact O-N 2.87Å; Y963-N967 WeakPolarHBondContact CD2-ND2 3.46Å; Y963-N967 VanDerWaalsContact CE1-ND2 3.31Å; Y963-N967 WeakPolarHBondContact CE1-ND2 3.5Å; Y963-N967 WeakPolarHBondContact CE2-ND2 3.24Å; Y963-N967 PolarHBondContact O-N 3.3Å; Y963-N967 PolarHBondContact O-ND2 2.97Å; Y963-N967 PolarHBondContact O-OD1 3.07Å; Y963-N967 PolarHBondContact OH-ND2 3.42Å; Y963-I974 HydrophobicContact CD2-CG2 4.39Å; Y963-I974 VanDerWaalsContact CD2-O 3.22Å; Y963-I974 WeakPolarHBondContact CD2-O 3.38Å; Y963-F976 HydrophobicContact CD1-CB 3.96Å; Y963-F976 HydrophobicContact CD1-CD1 4.26Å; Y963-F976 HydrophobicContact CD1-CG 4.21Å; Y963-F976 HydrophobicContact CD2-CB 3.61Å; Y963-F976 HydrophobicContact CE1-CB 4.26Å; Y963-F976 HydrophobicContact CE2-CB 3.93Å; Y963-F976 HydrophobicContact CG-CB 3.62Å; Y963-F976 HydrophobicContact CG-CG 4.14Å
964M98.8Very high97.8Very high64 Ų6437 Ų3732%0.31520%0.204SC..Hα-helixtrans-56.4-45.4179.2-68.2-175.6-68.500112.5P22 G960 K961 N967 D968P22-M964 HydrophobicContact CG-CG 3.99Å; P22-M964 HydrophobicContact CG-SD 3.57Å; P22-M964 VanDerWaalsContact CG-SD 3.57Å; G960-M964 WeakPolarHBondContact O-CG 3.31Å; G960-M964 PolarHBondContact O-N 2.88Å; K961-M964 HydrophobicContact CB-CE 4.33Å; K961-M964 HydrophobicContact CG-CE 3.83Å; K961-M964 PolarHBondContact O-N 3.23Å; M964-N967 PolarHBondContact O-N 3.02Å; M964-D968 PolarHBondContact O-N 2.77Å
965T98.8Very high98.1Very high26 Ų2639.7 Ų39.716%0.1622%0.215CC..Hα-helixtrans-68.3-37.4-180-65.30000112.2K961 Y963 N967 S969 G970 L994 V998K961-T965 WeakPolarHBondContact O-CB 3.23Å; K961-T965 PolarHBondContact O-N 3.22Å; K961-T965 PolarHBondContact O-OG1 2.78Å; Y963-T965 VanDerWaalsContact C-N 3.34Å; Y963-T965 PolarHBondContact O-N 3.09Å; T965-N967 VanDerWaalsContact C-N 3.27Å; T965-N967 PolarHBondContact O-N 3.06Å; T965-S969 CarbonylContact O-C 3.54Å; T965-S969 WeakPolarHBondContact O-CA 3.37Å; T965-S969 VanDerWaalsContact O-CB 3.29Å; T965-S969 WeakPolarHBondContact O-CB 3.11Å; T965-S969 PolarHBondContact O-N 3.05Å; T965-G970 PolarHBondContact O-N 2.87Å; T965-L994 HydrophobicContact CG2-CB 3.76Å; T965-L994 HydrophobicContact CG2-CD1 4.44Å; T965-V998 HydrophobicContact CG2-CG1 4.21Å; T965-V998 HydrophobicContact CG2-CG2 4.28Å
966C98.7Very high98.3Very high15 Ų1540.7 Ų40.710%0.10122%0.219CC..Hα-helixtrans-68.5-30175.1-162.10000112C962 Y963 G970 Y971 Q972 A973 I974C962-C966 WeakPolarHBondContact O-CB 3.42Å; C962-C966 PolarHBondContact O-N 3.43Å; Y963-C966 PolarHBondContact O-N 2.87Å; C966-G970 CarbonylContact O-C 3.51Å; C966-G970 WeakPolarHBondContact O-CA 3.5Å; C966-G970 PolarHBondContact O-N 3.22Å; C966-Y971 PolarHBondContact O-N 2.67Å; C966-Q972 PolarHBondContact O-N 3.47Å; C966-A973 PolarHBondContact SG-N 3.5Å; C966-A973 VanDerWaalsContact SG-N 3.38Å; C966-I974 HydrophobicContact CB-CB 4.43Å; C966-I974 HydrophobicContact CB-CD1 3.83Å; C966-I974 HydrophobicContact CB-CG1 4.02Å
967N98.4Very high98.3Very high8 Ų843.2 Ų43.24%0.04323%0.231CC..Hα-helixtrans-75.8-53.1-179.7-65.7-16.6000112.5L18 N21 Y963 M964 T965 Q972L18-N967 HydrophobicContact CD2-CB 3.56Å; N21-N967 PolarHBondContact OD1-ND2 3.43Å; Y963-N967 WeakPolarHBondContact CD2-ND2 3.46Å; Y963-N967 VanDerWaalsContact CE1-ND2 3.31Å; Y963-N967 WeakPolarHBondContact CE1-ND2 3.5Å; Y963-N967 WeakPolarHBondContact CE2-ND2 3.24Å; Y963-N967 PolarHBondContact O-N 3.3Å; Y963-N967 PolarHBondContact O-ND2 2.97Å; Y963-N967 PolarHBondContact O-OD1 3.07Å; Y963-N967 PolarHBondContact OH-ND2 3.42Å; M964-N967 PolarHBondContact O-N 3.02Å; T965-N967 VanDerWaalsContact C-N 3.27Å; T965-N967 PolarHBondContact O-N 3.06Å; N967-Q972 PolarHBondContact O-NE2 3.29Å
968D98.3Very high98.3Very high108 Ų10843.3 Ų43.358%0.57824%0.237SC*.Hα-helixtrans-98.40.4-170.3-62-7.5000112.2N21 M964N21-D968 PolarHBondContact ND2-OD1 3.48Å; M964-D968 PolarHBondContact O-N 2.77Å
969S98.3Very high98.2Very high81 Ų8147.7 Ų47.757%0.56626%0.257SS*.Hα-helixtrans-14617.4178.6-51.60000112.9T965 L994T965-S969 CarbonylContact O-C 3.54Å; T965-S969 WeakPolarHBondContact O-CA 3.37Å; T965-S969 VanDerWaalsContact O-CB 3.29Å; T965-S969 WeakPolarHBondContact O-CB 3.11Å; T965-S969 PolarHBondContact O-N 3.05Å; S969-L994 WeakPolarHBondContact O-CD1 3.47Å
970G97.2Very high98.1Very high23 Ų2346.1 Ų46.124%0.23725%0.245CC..SBendtrans-149.8-132.9-17500000113.5T965 C966 Q972T965-G970 PolarHBondContact O-N 2.87Å; C966-G970 CarbonylContact O-C 3.51Å; C966-G970 WeakPolarHBondContact O-CA 3.5Å; C966-G970 PolarHBondContact O-N 3.22Å; G970-Q972 PolarHBondContact O-NE2 2.73Å
971Y98Very high98.1Very high100 Ų10048.5 Ų48.539%0.39226%0.255SS..  trans-125.616.8-164.3-62.2-92.6000113.5C966 A973 T990 C992C966-Y971 PolarHBondContact O-N 2.67Å; Y971-A973 PolarHBondContact O-N 3.24Å; Y971-T990 HydrophobicContact CD1-CG2 3.61Å; Y971-T990 HydrophobicContact CD2-CG2 3.87Å; Y971-T990 WeakPolarHBondContact CD2-OG1 3.4Å; Y971-T990 HydrophobicContact CE1-CG2 3.68Å; Y971-T990 HydrophobicContact CE2-CG2 3.96Å; Y971-T990 WeakPolarHBondContact CE2-OG1 3.41Å; Y971-T990 HydrophobicContact CG-CG2 3.7Å; Y971-C992 HydrophobicContact CE2-CB 4.33Å
972Q98.3Very high98Very high46 Ų4645 Ų4522%0.21524%0.24CC..SBendtrans50.437.5179.7-5472.250.900112.3I14 L18 C966 N967 G970I14-Q972 HydrophobicContact CG2-CB 3.99Å; I14-Q972 HydrophobicContact CG2-CG 3.94Å; L18-Q972 HydrophobicContact CD1-CG 4.37Å; L18-Q972 HydrophobicContact CD2-CG 4Å; L18-Q972 HydrophobicContact CG-CG 4.4Å; C966-Q972 PolarHBondContact O-N 3.47Å; N967-Q972 PolarHBondContact O-NE2 3.29Å; G970-Q972 PolarHBondContact O-NE2 2.73Å
973A98.4Very high98Very high1 Ų144.6 Ų44.61%0.00824%0.238CC..  trans-101.118.3-169.900000113.4C966 Y971 T986 C989C966-A973 PolarHBondContact SG-N 3.5Å; C966-A973 VanDerWaalsContact SG-N 3.38Å; Y971-A973 PolarHBondContact O-N 3.24Å; A973-T986 PolarHBondContact O-N 3.48Å; A973-T986 PolarHBondContact O-OG1 2.86Å; A973-C989 HydrophobicContact CB-CB 4.4Å
974I98.7Very high97.9Very high2 Ų249.9 Ų49.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-127.2122.4178.8-62.3-178.2000107.8I17 C962 Y963 C966 P983 F984 V985 C995I17-I974 WeakPolarHBondContact CG2-O 3.24Å; C962-I974 HydrophobicContact CB-CD1 3.94Å; Y963-I974 HydrophobicContact CD2-CG2 4.39Å; Y963-I974 VanDerWaalsContact CD2-O 3.22Å; Y963-I974 WeakPolarHBondContact CD2-O 3.38Å; C966-I974 HydrophobicContact CB-CB 4.43Å; C966-I974 HydrophobicContact CB-CD1 3.83Å; C966-I974 HydrophobicContact CB-CG1 4.02Å; I974-P983 HydrophobicContact CG2-CB 3.83Å; I974-F984 CarbonylContact C-O 3.52Å; I974-F984 VanDerWaalsContact CA-O 3.3Å; I974-F984 WeakPolarHBondContact CA-O 3.44Å; I974-V985 HydrophobicContact CD1-CG2 4.44Å; I974-V985 HydrophobicContact CG1-CG2 4.23Å; I974-C995 HydrophobicContact CD1-CB 3.96Å
975Q98.4Very high97.9Very high96 Ų9648 Ų4845%0.44925%0.253SS..EExtended strand (participates in β ladder)trans-83.2141.7166.8-69.9175.3-13.200108.8I17 P983 F984 T986I17-Q975 HydrophobicContact CG1-CG 4.22Å; Q975-P983 CarbonylContact O-C 3.58Å; Q975-P983 VanDerWaalsContact O-CA 3.27Å; Q975-P983 WeakPolarHBondContact O-CA 3.46Å; Q975-F984 HydrophobicContact CB-CB 4.41Å; Q975-F984 PolarHBondContact N-O 2.98Å; Q975-F984 PolarHBondContact O-N 3.09Å; Q975-T986 HydrophobicContact CG-CG2 3.9Å
976F98.3Very high97.8Very high27 Ų2747.8 Ų47.812%0.11825%0.252CS..EExtended strand (participates in β ladder)trans-125.6113.9176.2-169.3-121000109.1L20 Y963 H981 P983L20-F976 HydrophobicContact CB-CD1 4.41Å; L20-F976 HydrophobicContact CD1-CD1 3.73Å; L20-F976 HydrophobicContact CD1-CE1 4.48Å; L20-F976 VanDerWaalsContact CD1-O 3.31Å; L20-F976 WeakPolarHBondContact CD1-O 3.45Å; Y963-F976 HydrophobicContact CD1-CB 3.96Å; Y963-F976 HydrophobicContact CD1-CD1 4.26Å; Y963-F976 HydrophobicContact CD1-CG 4.21Å; Y963-F976 HydrophobicContact CD2-CB 3.61Å; Y963-F976 HydrophobicContact CE1-CB 4.26Å; Y963-F976 HydrophobicContact CE2-CB 3.93Å; Y963-F976 HydrophobicContact CG-CB 3.62Å; Y963-F976 HydrophobicContact CG-CG 4.14Å; F976-H981 HydrophobicContact CE1-CB 4.12Å; F976-H981 AromaticContact CE1-CD2 3.88Å; F976-H981 AromaticContact CE1-CG 3.85Å; F976-H981 VanDerWaalsContact CE2-C 3.41Å; F976-H981 HydrophobicContact CE2-CB 4.03Å; F976-H981 WeakPolarHBondContact CE2-O 3.47Å; F976-H981 HydrophobicContact CZ-CB 3.49Å; F976-H981 VanDerWaalsContact CZ-CB 3.49Å; F976-H981 AromaticContact CZ-CG 3.69Å; F976-P983 HydrophobicContact CD2-CB 4.13Å
977D97.6Very high97.6Very high66 Ų6652.3 Ų52.335%0.35328%0.275SS..  trans-70.9128.8-172.3-179.6-95.3000111.4E979 T980 H981 L982D977-E979 VanDerWaalsContact C-N 3.27Å; D977-E979 PolarHBondContact O-N 2.86Å; D977-E979 PolarHBondContact OD1-N 2.8Å; D977-T980 VanDerWaalsContact CB-OG1 3.3Å; D977-T980 WeakPolarHBondContact CB-OG1 3.24Å; D977-T980 VanDerWaalsContact CG-OG1 3.24Å; D977-T980 WeakPolarHBondContact OD1-CB 3.31Å; D977-T980 PolarHBondContact OD1-N 3.47Å; D977-T980 PolarHBondContact OD1-OG1 2.92Å; D977-H981 WeakPolarHBondContact O-CA 3.43Å; D977-H981 PolarHBondContact O-CD2 2.84Å; D977-H981 PolarHBondContact O-N 2.86Å; D977-L982 PolarHBondContact N-O 2.71Å
978P97.1Very high97.5Very high69 Ų6954.6 Ų54.645%0.44829%0.292SS..THydrogen-bonded Turntrans-71.2-15.6-174.227.5-35.1000114.8L20 W43L20-P978 HydrophobicContact CD1-CB 3.94Å; L20-P978 HydrophobicContact CD2-CB 4.36Å; W43-P978 WeakPolarHBondContact CH2-O 3.47Å
979E96.1Very high97.5Very high103 Ų10350.1 Ų50.148%0.48127%0.269SS..THydrogen-bonded Turntrans-103.8-46.3-175.8-64.8-62.8136.400111.3H42 W43 D977H42-E979 IonicContact CE1-OE2 2.93Å; H42-E979 PolarHBondContact CE1-OE2 2.77Å; H42-E979 PolarHBondContact NE2-O 2.95Å; H42-E979 IonicContact NE2-OE2 3.88Å; W43-E979 WeakPolarHBondContact CZ3-O 3.3Å; D977-E979 VanDerWaalsContact C-N 3.27Å; D977-E979 PolarHBondContact O-N 2.86Å; D977-E979 PolarHBondContact OD1-N 2.8Å
980T96.3Very high97.5Very high24 Ų2447.4 Ų47.415%0.14725%0.249CC..THydrogen-bonded Turntrans-92.6-17.2-177.464.70000112.9P878 F880 Y883 N958 D977 L982P878-T980 HydrophobicContact CG-CG2 4.49Å; F880-T980 VanDerWaalsContact CE1-O 3.31Å; F880-T980 WeakPolarHBondContact CE1-O 3.39Å; F880-T980 VanDerWaalsContact CZ-O 3.29Å; F880-T980 WeakPolarHBondContact CZ-O 3.31Å; Y883-T980 HydrophobicContact CE1-CG2 4.11Å; Y883-T980 HydrophobicContact CE2-CG2 4.46Å; N958-T980 PolarHBondContact ND2-O 3.47Å; D977-T980 VanDerWaalsContact CB-OG1 3.3Å; D977-T980 WeakPolarHBondContact CB-OG1 3.24Å; D977-T980 VanDerWaalsContact CG-OG1 3.24Å; D977-T980 WeakPolarHBondContact OD1-CB 3.31Å; D977-T980 PolarHBondContact OD1-N 3.47Å; D977-T980 PolarHBondContact OD1-OG1 2.92Å; T980-L982 PolarHBondContact O-N 2.9Å; T980-L982 PolarHBondContact OG1-N 3.19Å
981H97.9Very high97.5Very high55 Ų5546.8 Ų46.826%0.25524%0.242SC..  trans51.635.7-171.2-76.1-168000112.2W43 N958 F976 D977W43-H981 AromaticContact CH2-CD2 3.59Å; W43-H981 AromaticContact CH2-CE1 3.74Å; W43-H981 AromaticContact CH2-NE2 3.3Å; W43-H981 VanDerWaalsContact CH2-NE2 3.3Å; W43-H981 WeakPolarHBondContact CH2-NE2 3.48Å; W43-H981 AromaticContact CZ3-CD2 3.67Å; W43-H981 AromaticContact CZ3-CE1 3.6Å; W43-H981 AromaticContact CZ3-CG 3.78Å; W43-H981 AromaticContact CZ3-ND1 3.74Å; W43-H981 AromaticContact CZ3-NE2 3.59Å; N958-H981 WeakPolarHBondContact CA-O 3.26Å; N958-H981 HydrophobicContact CB-CB 3.73Å; N958-H981 VanDerWaalsContact CB-O 3.29Å; N958-H981 WeakPolarHBondContact CB-O 3.42Å; N958-H981 PolarHBondContact ND2-O 2.92Å; F976-H981 HydrophobicContact CE1-CB 4.12Å; F976-H981 AromaticContact CE1-CD2 3.88Å; F976-H981 AromaticContact CE1-CG 3.85Å; F976-H981 VanDerWaalsContact CE2-C 3.41Å; F976-H981 HydrophobicContact CE2-CB 4.03Å; F976-H981 WeakPolarHBondContact CE2-O 3.47Å; F976-H981 HydrophobicContact CZ-CB 3.49Å; F976-H981 VanDerWaalsContact CZ-CB 3.49Å; F976-H981 AromaticContact CZ-CG 3.69Å; D977-H981 WeakPolarHBondContact O-CA 3.43Å; D977-H981 PolarHBondContact O-CD2 2.84Å; D977-H981 PolarHBondContact O-N 2.86Å
982L97.5Very high97.5Very high15 Ų1544.8 Ų44.88%0.07924%0.242CC..  trans-92.6131.5172.1-73.3169.9000109.8T876 E953 C956 N958 D977 T980T876-L982 HydrophobicContact CG2-CD1 3.53Å; T876-L982 HydrophobicContact CG2-CD2 4.36Å; E953-L982 HydrophobicContact CB-CD2 4.12Å; C956-L982 HydrophobicContact CB-CD2 4.22Å; N958-L982 WeakPolarHBondContact ND2-CD2 3.5Å; D977-L982 PolarHBondContact N-O 2.71Å; T980-L982 PolarHBondContact O-N 2.9Å; T980-L982 PolarHBondContact OG1-N 3.19Å
983P97.8Very high97.5Very high3 Ų344.9 Ų44.92%0.01925%0.246CC..EExtended strand (participates in β ladder)trans-87.2138.117533.9-33000111.6I951 C956 I974 Q975 F976I951-P983 HydrophobicContact CD1-CB 3.73Å; I951-P983 HydrophobicContact CD1-CG 3.56Å; I951-P983 HydrophobicContact CG2-CG 4.16Å; C956-P983 VanDerWaalsContact SG-CD 3.56Å; I974-P983 HydrophobicContact CG2-CB 3.83Å; Q975-P983 CarbonylContact O-C 3.58Å; Q975-P983 VanDerWaalsContact O-CA 3.27Å; Q975-P983 WeakPolarHBondContact O-CA 3.46Å; F976-P983 HydrophobicContact CD2-CB 4.13Å
984F97.4Very high97.5Very high116 Ų11648 Ų4851%0.50926%0.262SS..EExtended strand (participates in β ladder)trans-124126.2175178.6-99.1000110.6I974 Q975 T986I974-F984 CarbonylContact C-O 3.52Å; I974-F984 VanDerWaalsContact CA-O 3.3Å; I974-F984 WeakPolarHBondContact CA-O 3.44Å; Q975-F984 HydrophobicContact CB-CB 4.41Å; Q975-F984 PolarHBondContact N-O 2.98Å; Q975-F984 PolarHBondContact O-N 3.09Å; F984-T986 HydrophobicContact CD1-CG2 4.39Å
985V98.1Very high97.5Very high24 Ų2448.4 Ų48.415%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-84.5127179.7-1780000109.5A949 I951 I974 C989A949-V985 HydrophobicContact CB-CG1 4.38Å; A949-V985 HydrophobicContact CB-CG2 4.16Å; A949-V985 WeakPolarHBondContact O-CG1 3.37Å; I951-V985 HydrophobicContact CD1-CG2 3.84Å; I951-V985 HydrophobicContact CG1-CG2 3.84Å; I974-V985 HydrophobicContact CD1-CG2 4.44Å; I974-V985 HydrophobicContact CG1-CG2 4.23Å; V985-C989 HydrophobicContact CG1-CB 3.57Å
986T97.2Very high97.5Very high22 Ų2246.7 Ų46.714%0.13526%0.259CS..  trans-92.3168179.9740000112.1A973 Q975 F984 S988 C989A973-T986 PolarHBondContact O-N 3.48Å; A973-T986 PolarHBondContact O-OG1 2.86Å; Q975-T986 HydrophobicContact CG-CG2 3.9Å; F984-T986 HydrophobicContact CD1-CG2 4.39Å; T986-S988 PolarHBondContact O-N 3.46Å; T986-S988 VanDerWaalsContact O-N 3.08Å; T986-S988 PolarHBondContact OG1-N 2.88Å; T986-C989 VanDerWaalsContact O-CB 3.27Å; T986-C989 WeakPolarHBondContact O-CB 3.15Å; T986-C989 PolarHBondContact O-N 3.25Å
987D95.6Very high97.5Very high110 Ų11049.5 Ų49.559%0.58828%0.282SS*.THydrogen-bonded Turntrans-62.5-16.2178.1-72-22000114.1C989 R1010D987-C989 PolarHBondContact O-N 3.4Å; D987-R1010 PolarHBondContact O-NH1 3.22Å; D987-R1010 VanDerWaalsContact O-NH1 3.07Å; D987-R1010 PolarHBondContact O-NH2 3.35Å
988S95.8Very high97.6Very high56 Ų5648.5 Ų48.539%0.39228%0.278SS..THydrogen-bonded Turntrans-68.8-7172.4-59.10000113.1T986 T990T986-S988 PolarHBondContact O-N 3.46Å; T986-S988 VanDerWaalsContact O-N 3.08Å; T986-S988 PolarHBondContact OG1-N 2.88Å; S988-T990 PolarHBondContact O-N 2.84Å
989C98.1Very high97.6Very high14 Ų1446.7 Ų46.710%0.09527%0.267CS..  trans-58.1131.3176-173.30000111.2Q948 A973 V985 T986 D987 G991 R1010Q948-C989 HydrophobicContact CB-CB 4.31Å; A973-C989 HydrophobicContact CB-CB 4.4Å; V985-C989 HydrophobicContact CG1-CB 3.57Å; T986-C989 VanDerWaalsContact O-CB 3.27Å; T986-C989 WeakPolarHBondContact O-CB 3.15Å; T986-C989 PolarHBondContact O-N 3.25Å; D987-C989 PolarHBondContact O-N 3.4Å; C989-G991 PolarHBondContact SG-N 3.45Å; C989-R1010 PolarHBondContact O-NH1 2.94Å
990T97.8Very high97.7Very high24 Ų2444.2 Ų44.215%0.14726%0.259CS..  trans-100.61.1179.258.10000113.5Y971 S988 C992Y971-T990 HydrophobicContact CD1-CG2 3.61Å; Y971-T990 HydrophobicContact CD2-CG2 3.87Å; Y971-T990 WeakPolarHBondContact CD2-OG1 3.4Å; Y971-T990 HydrophobicContact CE1-CG2 3.68Å; Y971-T990 HydrophobicContact CE2-CG2 3.96Å; Y971-T990 WeakPolarHBondContact CE2-OG1 3.41Å; Y971-T990 HydrophobicContact CG-CG2 3.7Å; S988-T990 PolarHBondContact O-N 2.84Å; T990-C992 VanDerWaalsContact C-N 3.32Å; T990-C992 PolarHBondContact O-N 3.22Å
991G97.7Very high97.8Very high10 Ų1043.6 Ų43.610%0.10326%0.255CS..  trans7220.5-178.400000114.8V947 C989 T993V947-G991 WeakPolarHBondContact O-CA 3.48Å; V947-G991 PolarHBondContact O-N 3.22Å; C989-G991 PolarHBondContact SG-N 3.45Å; G991-T993 PolarHBondContact O-N 3.47Å; G991-T993 VanDerWaalsContact O-N 3.07Å; G991-T993 PolarHBondContact O-OG1 2.74Å
992C97.9Very high97.8Very high58 Ų5843.8 Ų43.839%0.39226%0.257SS..  trans-67.2-7.1-17774.70000115.5Y971 T990 L994Y971-C992 HydrophobicContact CE2-CB 4.33Å; T990-C992 VanDerWaalsContact C-N 3.32Å; T990-C992 PolarHBondContact O-N 3.22Å; C992-L994 PolarHBondContact O-N 3.29Å
993T98.5Very high97.8Very high47 Ų4746.6 Ų46.629%0.28827%0.272SS..  trans67.3-6.6175.1-49.70000116.4G991 C995 L996 S997 M1007G991-T993 PolarHBondContact O-N 3.47Å; G991-T993 VanDerWaalsContact O-N 3.07Å; G991-T993 PolarHBondContact O-OG1 2.74Å; T993-C995 VanDerWaalsContact C-N 3.27Å; T993-C995 PolarHBondContact O-N 3.25Å; T993-C995 VanDerWaalsContact O-N 3.14Å; T993-L996 HydrophobicContact CG2-CB 4.06Å; T993-L996 HydrophobicContact CG2-CD1 4.37Å; T993-L996 HydrophobicContact CG2-CD2 4.29Å; T993-L996 HydrophobicContact CG2-CG 4.49Å; T993-L996 WeakPolarHBondContact O-CB 3.4Å; T993-L996 PolarHBondContact O-N 3.27Å; T993-S997 PolarHBondContact O-N 3.33Å; T993-S997 PolarHBondContact O-OG 3.27Å; T993-M1007 HydrophobicContact CG2-CG 4.13Å; T993-M1007 HydrophobicContact CG2-SD 4.1Å
994L98.5Very high97.8Very high68 Ų6846.6 Ų46.636%0.35627%0.272SS..Hα-helixtrans-55.6-37.5-178.7-75.4177.4000114.1T965 S969 C992 S997 V998T965-L994 HydrophobicContact CG2-CB 3.76Å; T965-L994 HydrophobicContact CG2-CD1 4.44Å; S969-L994 WeakPolarHBondContact O-CD1 3.47Å; C992-L994 PolarHBondContact O-N 3.29Å; L994-S997 PolarHBondContact O-N 3.04Å; L994-V998 WeakPolarHBondContact O-CG2 3.48Å; L994-V998 PolarHBondContact O-N 2.95Å
995C98.5Very high97.8Very high10 Ų1041.2 Ų41.27%0.06825%0.249CC..Hα-helixtrans-62.9-41.3178.153.30000112.6A949 C962 I974 T993 V998 C999 I1005A949-C995 VanDerWaalsContact CB-SG 3.55Å; C962-C995 HydrophobicContact CB-CB 3.69Å; I974-C995 HydrophobicContact CD1-CB 3.96Å; T993-C995 VanDerWaalsContact C-N 3.27Å; T993-C995 PolarHBondContact O-N 3.25Å; T993-C995 VanDerWaalsContact O-N 3.14Å; C995-V998 WeakPolarHBondContact O-CG2 3.17Å; C995-C999 PolarHBondContact O-N 3.45Å; C995-I1005 HydrophobicContact CB-CD1 4.26Å
996L98.6Very high97.8Very high60 Ų6043.5 Ų43.531%0.31426%0.26SS..Hα-helixtrans-63.4-48.2174.1-178161.5000110T993 V998 C999 I1005 M1007T993-L996 HydrophobicContact CG2-CB 4.06Å; T993-L996 HydrophobicContact CG2-CD1 4.37Å; T993-L996 HydrophobicContact CG2-CD2 4.29Å; T993-L996 HydrophobicContact CG2-CG 4.49Å; T993-L996 WeakPolarHBondContact O-CB 3.4Å; T993-L996 PolarHBondContact O-N 3.27Å; L996-V998 PolarHBondContact O-N 3.49Å; L996-V998 VanDerWaalsContact O-N 3.14Å; L996-C999 VanDerWaalsContact O-CB 3.3Å; L996-C999 WeakPolarHBondContact O-CB 3.36Å; L996-C999 PolarHBondContact O-N 3.41Å; L996-I1005 HydrophobicContact CB-CB 4.09Å; L996-I1005 HydrophobicContact CB-CG2 3.95Å; L996-I1005 WeakPolarHBondContact CD1-O 3.41Å; L996-I1005 HydrophobicContact CG-CB 4.3Å; L996-I1005 HydrophobicContact CG-CG2 4.49Å; L996-I1005 WeakPolarHBondContact CG-O 3.47Å; L996-M1007 HydrophobicContact CB-SD 4.4Å; L996-M1007 HydrophobicContact CD1-CG 3.78Å; L996-M1007 HydrophobicContact CD1-SD 3.99Å
997S98.3Very high97.8Very high86 Ų8645 Ų4560%0.60127%0.266SS*.Hα-helixtrans-61.1-25.2-176.7-54.70000114.6T993 L994T993-S997 PolarHBondContact O-N 3.33Å; T993-S997 PolarHBondContact O-OG 3.27Å; L994-S997 PolarHBondContact O-N 3.04Å
998V98.4Very high97.9Very high45 Ų4542.1 Ų42.127%0.27325%0.252SS..THydrogen-bonded Turntrans-101.6-3.5178-56.90000113.6K961 T965 L994 C995 L996K961-V998 HydrophobicContact CB-CG2 4.3Å; K961-V998 WeakPolarHBondContact CE-O 3.28Å; T965-V998 HydrophobicContact CG2-CG1 4.21Å; T965-V998 HydrophobicContact CG2-CG2 4.28Å; L994-V998 WeakPolarHBondContact O-CG2 3.48Å; L994-V998 PolarHBondContact O-N 2.95Å; C995-V998 WeakPolarHBondContact O-CG2 3.17Å; L996-V998 PolarHBondContact O-N 3.49Å; L996-V998 VanDerWaalsContact O-N 3.14Å
999C98.5Very high97.9Very high31 Ų3144.6 Ų44.621%0.20927%0.266CS..  trans-65.7129.1-179.4-173.60000109.6C995 L996 I1001 I1005C995-C999 PolarHBondContact O-N 3.45Å; L996-C999 VanDerWaalsContact O-CB 3.3Å; L996-C999 WeakPolarHBondContact O-CB 3.36Å; L996-C999 PolarHBondContact O-N 3.41Å; C999-I1001 PolarHBondContact O-N 3.45Å; C999-I1001 PolarHBondContact SG-O 2.99Å; C999-I1001 VanDerWaalsContact SG-O 3.34Å; C999-I1005 HydrophobicContact CB-CD1 4.06Å; C999-I1005 HydrophobicContact CB-CG1 4.2Å
1000P98Very high97.8Very high50 Ų5045.9 Ų45.933%0.32527%0.269SS..SBendtrans-76.8-7.9179.631.1-35.2000113.5R72 I957R72-P1000 WeakPolarHBondContact CD-O 3.35Å; I957-P1000 HydrophobicContact CD1-CB 4.49Å; I957-P1000 HydrophobicContact CD1-CG 3.8Å; I957-P1000 HydrophobicContact CG1-CG 4.17Å
1001I98.2Very high97.7Very high12 Ų1250.7 Ų50.76%0.06230%0.298CS..SBendtrans-113.6119.1-178.1-53.2-59.7000108.4M955 I957 C999 D1003 C1004M955-I1001 HydrophobicContact CB-CG2 4.4Å; M955-I1001 HydrophobicContact CE-CG2 3.94Å; I957-I1001 HydrophobicContact CD1-CD1 4.09Å; I957-I1001 HydrophobicContact CD1-CG1 4.31Å; I957-I1001 HydrophobicContact CG1-CD1 4.24Å; I957-I1001 HydrophobicContact CG1-CG1 4.01Å; I957-I1001 HydrophobicContact CG2-CD1 3.83Å; I957-I1001 HydrophobicContact CG2-CG1 3.98Å; C999-I1001 PolarHBondContact O-N 3.45Å; C999-I1001 PolarHBondContact SG-O 2.99Å; C999-I1001 VanDerWaalsContact SG-O 3.34Å; I1001-D1003 PolarHBondContact O-N 3.37Å; I1001-C1004 HydrophobicContact CB-CB 3.65Å; I1001-C1004 HydrophobicContact CG2-CB 3.69Å; I1001-C1004 PolarHBondContact O-N 3.13Å
1002I97.4Very high97.4Very high58 Ų5852.5 Ų52.530%0.29731%0.307SS..THydrogen-bonded Turntrans-55.3132176.6-62.1175.2000108.5R72 M955 C1004R72-I1002 HydrophobicContact CB-CD1 3.81Å; R72-I1002 HydrophobicContact CB-CG1 4.11Å; R72-I1002 HydrophobicContact CG-CD1 4.24Å; R72-I1002 HydrophobicContact CG-CG1 4.21Å; M955-I1002 WeakPolarHBondContact CE-O 3.26Å; I1002-C1004 PolarHBondContact O-N 2.89Å
1003D97.3Very high97Very high74 Ų7455.1 Ų55.140%0.39632%0.323SS..THydrogen-bonded Turntrans56.19.8177.8-52.1-26.5000117.3T857 I1001 I1005 N1006T857-D1003 VanDerWaalsContact CB-OD2 3.23Å; T857-D1003 WeakPolarHBondContact CB-OD2 3.26Å; T857-D1003 HydrophobicContact CG2-CB 4.22Å; T857-D1003 PolarHBondContact OG1-OD2 2.82Å; I1001-D1003 PolarHBondContact O-N 3.37Å; D1003-I1005 PolarHBondContact O-N 2.93Å; D1003-N1006 PolarHBondContact O-ND2 2.77Å
1004C97.6Very high96.7Very high3 Ų355.9 Ų55.92%0.0232%0.324CS..SBendtrans-64-26.2169.8170.20000111.6I951 D952 M955 I1001 I1002I951-C1004 CarbonylContact C-O 3.48Å; I951-C1004 WeakPolarHBondContact CA-O 3.48Å; D952-C1004 PolarHBondContact N-O 3Å; M955-C1004 HydrophobicContact CB-CB 3.82Å; I1001-C1004 HydrophobicContact CB-CB 3.65Å; I1001-C1004 HydrophobicContact CG2-CB 3.69Å; I1001-C1004 PolarHBondContact O-N 3.13Å; I1002-C1004 PolarHBondContact O-N 2.89Å
1005I98.2Very high96.5Very high4 Ų458.1 Ų58.12%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-118.8128.3171.5-50.8-170.8000107.9A949 L950 I951 C962 C995 L996 C999 D1003A949-I1005 HydrophobicContact CB-CG2 3.97Å; L950-I1005 CarbonylContact O-C 2.86Å; L950-I1005 WeakPolarHBondContact O-CA 3.38Å; I951-I1005 HydrophobicContact CD1-CD1 4.1Å; I951-I1005 HydrophobicContact CG1-CD1 4.01Å; I951-I1005 HydrophobicContact CG1-CG1 3.94Å; I951-I1005 HydrophobicContact CG1-CG2 4.31Å; I951-I1005 HydrophobicContact CG2-CG1 4.37Å; C962-I1005 HydrophobicContact CB-CD1 3.86Å; C995-I1005 HydrophobicContact CB-CD1 4.26Å; L996-I1005 HydrophobicContact CB-CB 4.09Å; L996-I1005 HydrophobicContact CB-CG2 3.95Å; L996-I1005 WeakPolarHBondContact CD1-O 3.41Å; L996-I1005 HydrophobicContact CG-CB 4.3Å; L996-I1005 HydrophobicContact CG-CG2 4.49Å; L996-I1005 WeakPolarHBondContact CG-O 3.47Å; C999-I1005 HydrophobicContact CB-CD1 4.06Å; C999-I1005 HydrophobicContact CB-CG1 4.2Å; D1003-I1005 PolarHBondContact O-N 2.93Å
1006N97.3Very high96.3Very high72 Ų7260.3 Ų60.339%0.38535%0.354SS..EExtended strand (participates in β ladder)trans-116.4152.3175.8-70.5-66.4000110.6A949 L950 D1003A949-N1006 CarbonylContact C-O 3.6Å; A949-N1006 WeakPolarHBondContact CA-O 3.24Å; L950-N1006 PolarHBondContact N-O 3.33Å; L950-N1006 PolarHBondContact O-N 2.83Å; D1003-N1006 PolarHBondContact O-ND2 2.77Å
1007M98Very high96.1Very high53 Ų5363.8 Ų63.826%0.26137%0.369SS..EExtended strand (participates in β ladder)trans-95.9117.4170.5-55.9-50.5-62.500108.8V947 A949 T993 L996V947-M1007 HydrophobicContact CB-CB 4.27Å; V947-M1007 HydrophobicContact CB-CE 4.34Å; V947-M1007 HydrophobicContact CG2-CB 4.2Å; V947-M1007 HydrophobicContact CG2-CE 3.64Å; A949-M1007 HydrophobicContact CB-CE 4.34Å; A949-M1007 HydrophobicContact CB-SD 4.14Å; T993-M1007 HydrophobicContact CG2-CG 4.13Å; T993-M1007 HydrophobicContact CG2-SD 4.1Å; L996-M1007 HydrophobicContact CB-SD 4.4Å; L996-M1007 HydrophobicContact CD1-CG 3.78Å; L996-M1007 HydrophobicContact CD1-SD 3.99Å
1008V97.4Very high95.9Very high49 Ų4967.5 Ų67.530%0.29737%0.369SS..EExtended strand (participates in β ladder)trans-113.7151-179.3-60.30000110.3V947 Q948 L950 R1010V947-V1008 CarbonylContact C-O 3.51Å; V947-V1008 WeakPolarHBondContact CA-O 3.35Å; V947-V1008 VanDerWaalsContact CB-O 3.32Å; V947-V1008 WeakPolarHBondContact CB-O 3.43Å; Q948-V1008 HydrophobicContact CG-CG2 3.76Å; Q948-V1008 PolarHBondContact N-O 2.6Å; Q948-V1008 PolarHBondContact O-N 3.26Å; L950-V1008 HydrophobicContact CB-CG1 4.11Å; L950-V1008 HydrophobicContact CB-CG2 4.06Å; L950-V1008 HydrophobicContact CD2-CG1 4.01Å; V1008-R1010 PolarHBondContact O-N 3.46Å
1009T97.1Very high95.6Very high109 Ų10968.8 Ų68.867%0.66939%0.392SS*.EExtended strand (participates in β ladder)trans-54.4131.2176.1-54.70000110.5T1011T1009-T1011 PolarHBondContact O-N 2.62Å
1010R95.5Very high95.2Very high41 Ų4171.6 Ų71.616%0.15540%0.404CS..  trans-69.3127.7177.9-167.8-174.4171.881.50.3109.3Q946 D987 C989 V1008 T1012Q946-R1010 HydrophobicContact CB-CB 4.4Å; Q946-R1010 VanDerWaalsContact O-CB 3.3Å; Q946-R1010 WeakPolarHBondContact O-CB 3.25Å; Q946-R1010 PolarHBondContact O-N 3.39Å; D987-R1010 PolarHBondContact O-NH1 3.22Å; D987-R1010 VanDerWaalsContact O-NH1 3.07Å; D987-R1010 PolarHBondContact O-NH2 3.35Å; C989-R1010 PolarHBondContact O-NH1 2.94Å; V1008-R1010 PolarHBondContact O-N 3.46Å; R1010-T1012 WeakPolarHBondContact CD-O 3.44Å; R1010-T1012 VanDerWaalsContact CG-O 3.26Å; R1010-T1012 WeakPolarHBondContact CG-O 3.5Å; R1010-T1012 PolarHBondContact NE-O 3.48Å; R1010-T1012 PolarHBondContact NE-OG1 2.64Å; R1010-T1012 VanDerWaalsContact NE-OG1 3.11Å; R1010-T1012 PolarHBondContact NH2-OG1 3.1Å
1011T94.3Very high94.7Very high125 Ų12574 Ų7477%0.76742%0.419SS*.  trans-91.3-15.7179.653.10000113.1T1009T1009-T1011 PolarHBondContact O-N 2.62Å
1012T92.4Very high94.2Very high47 Ų4779.1 Ų79.129%0.28845%0.445SS..SBendtrans-102.8149.9176.757.50000111R1010 H1014R1010-T1012 WeakPolarHBondContact CD-O 3.44Å; R1010-T1012 VanDerWaalsContact CG-O 3.26Å; R1010-T1012 WeakPolarHBondContact CG-O 3.5Å; R1010-T1012 PolarHBondContact NE-O 3.48Å; R1010-T1012 PolarHBondContact NE-OG1 2.64Å; R1010-T1012 VanDerWaalsContact NE-OG1 3.11Å; R1010-T1012 PolarHBondContact NH2-OG1 3.1Å; T1012-H1014 PolarHBondContact O-N 3.4Å
1013P89.2Confident93.3Very high114 Ų11480.9 Ų80.974%0.7446%0.463SS*.PPolyproline II helixtrans-54.6131.6175.9-26.134.9000111.6
1014H93.2Very high91.9Very high63 Ų6383.2 Ų83.229%0.29248%0.482SS..PPolyproline II helixtrans-82.4120.5172.4-179.271.6000109.7Q946 T1012Q946-H1014 HydrophobicContact CB-CB 4.04Å; Q946-H1014 HydrophobicContact CG-CB 3.73Å; T1012-H1014 PolarHBondContact O-N 3.4Å
1015V92.9Very high89.8Confident114 Ų11489.4 Ų89.469%0.69152%0.52SS*.  trans-117.7110.8173.8-177.60000107.9Q1017V1015-Q1017 PolarHBondContact O-N 2.84Å
1016P95.4Very high86.9Confident57 Ų5798.5 Ų98.537%0.3758%0.582SS.*  trans-59.1129.7178.1-25.534.1000111.3R1018P1016-R1018 PolarHBondContact O-N 3.31Å
1017Q93.1Very high86.4Confident133 Ų13399.9 Ų99.962%0.62159%0.591SS**  trans-72.7113.8177.7-64.2-174.85.700110V1015V1015-Q1017 PolarHBondContact O-N 2.84Å
1018R95.1Very high85.8Confident164 Ų164102.3 Ų102.362%0.61961%0.609SS**  trans-94.8-4.6-176.7-57.9-59.8-174.5-179.70114.1P1016 I1020 I1022P1016-R1018 PolarHBondContact O-N 3.31Å; R1018-I1020 WeakPolarHBondContact CB-O 3.49Å; R1018-I1020 PolarHBondContact O-N 3.19Å; R1018-I1022 HydrophobicContact CB-CG1 4.34Å; R1018-I1022 HydrophobicContact CG-CD1 3.81Å; R1018-I1022 HydrophobicContact CG-CG1 4.16Å
1019G92.1Very high85.2Confident72 Ų72105.3 Ų105.374%0.74263%0.626SS**SBendtrans72.3-49.1-17600000113.7
1020I89.9Confident84.5Confident89 Ų89105.1 Ų105.146%0.45662%0.624SS.*SBendtrans-123.1153.1173.558.1174.4000110.7M1 L7 R1018 I1022M1-I1020 HydrophobicContact CE-CB 4.22Å; M1-I1020 HydrophobicContact CE-CG2 4.34Å; L7-I1020 HydrophobicContact CD1-CG2 3.64Å; L7-I1020 HydrophobicContact CD2-CG2 4.22Å; R1018-I1020 WeakPolarHBondContact CB-O 3.49Å; R1018-I1020 PolarHBondContact O-N 3.19Å; I1020-I1022 PolarHBondContact O-N 2.98Å
1021P87.2Confident83.8Confident100 Ų100109.1 Ų109.165%0.64965%0.653SS**  trans-56.9133.9171.2-23.334.2000110.9M1 S1023M1-P1021 HydrophobicContact CE-CG 4.45Å; P1021-S1023 PolarHBondContact O-N 3Å
1022I87.6Confident83.1Confident120 Ų120108 Ų10862%0.61565%0.645SS**  trans-74.2115.9170.7-58.7174.8000106.4R1018 I1020R1018-I1022 HydrophobicContact CB-CG1 4.34Å; R1018-I1022 HydrophobicContact CG-CD1 3.81Å; R1018-I1022 HydrophobicContact CG-CG1 4.16Å; I1020-I1022 PolarHBondContact O-N 2.98Å
1023S79.7Confident82.4Confident96 Ų96112.4 Ų112.467%0.67167%0.671SS**PPolyproline II helixtrans-58.6135.3168.8-70.20000108.5P1021 V1025P1021-S1023 PolarHBondContact O-N 3Å; S1023-V1025 PolarHBondContact O-N 3.3Å
1024P66.4Low81.9Confident122 Ų122112.2 Ų112.279%0.79267%0.665SS**PPolyproline II helixtrans-55.4117.3171.123.2-30000107.2C1026P1024-C1026 PolarHBondContact O-N 3.19Å
1025V54.2Low80.9Confident134 Ų134116.3 Ų116.381%0.81270%0.697SS**PPolyproline II helixtrans-65.4121.4172.7-175.20000105.5S1023S1023-V1025 PolarHBondContact O-N 3.3Å
1026C37.7Very low79.8Confident195 Ų195116.5 Ų116.5100%1.31870%0.697SS**  trans-58.80167-82.20000110.8P1024P1024-C1026 PolarHBondContact O-N 3.19Å

Retrieved 1,026 of 1,026 residues in 979.6 ms (Link to these results)

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