A0A087XGS3_POEFO Loading...

Interleukin-2 receptor subunit beta-like

AlphaFold DB , UniProt , Accession A0A087XGS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 542 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
1M48.3Very low55.5Low245 Ų245118.5 Ų118.5100%1.20763%0.634SS**  0146.20-68.21466300108
2S52.2Low55.1Low81 Ų81124.3 Ų124.357%0.56664%0.641SS**  -135.4150.3-85.3-174.30000108.6A4 A5S2-A4 PolarHBondContact O-N 2.96Å; S2-A5 WeakPolarHBondContact O-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.3Å
3L50.3Low55.1Low137 Ų137122.5 Ų122.572%0.71763%0.632SS**Hα-helixtrans-54.4-26.1174.8-78.6144.4000112.7A5 E6 M7L3-A5 PolarHBondContact O-N 3.12Å; L3-E6 PolarHBondContact O-N 3.22Å; L3-M7 WeakPolarHBondContact O-CG 3.48Å; L3-M7 PolarHBondContact O-N 2.98Å
4A58.4Low54.9Low57 Ų57119.6 Ų119.647%0.47163%0.627SS.*Hα-helixtrans-55.7-31.2171.700000113.7S2 L8S2-A4 PolarHBondContact O-N 2.96Å; A4-L8 VanDerWaalsContact O-CB 3.3Å; A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 WeakPolarHBondContact O-CD1 3.29Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.32Å; A4-L8 PolarHBondContact O-N 2.91Å
5A58.9Low54.4Low60 Ų60121.9 Ų121.950%0.49664%0.636SS.*Hα-helixtrans-71.7-44.3179.300000112.1S2 L3 L8 W9S2-A5 WeakPolarHBondContact O-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.3Å; L3-A5 PolarHBondContact O-N 3.12Å; A5-L8 PolarHBondContact O-N 2.96Å; A5-W9 WeakPolarHBondContact O-CB 3.13Å; A5-W9 PolarHBondContact O-N 3.38Å
6E59.3Low54Low131 Ų131120.5 Ų120.561%0.61263%0.634SS**Hα-helixtrans-70-35176.7-64.3-174.8160.100111.9L3 W9 S10L3-E6 PolarHBondContact O-N 3.22Å; E6-W9 PolarHBondContact O-N 3.06Å; E6-S10 WeakPolarHBondContact O-CB 3.32Å; E6-S10 PolarHBondContact O-N 3.18Å; E6-S10 PolarHBondContact O-OG 2.94Å
7M57.6Low53.1Low124 Ų124121.4 Ų121.461%0.61164%0.638SS**Hα-helixtrans-64-43.6171.6-70.7-64.8-66.400111.8L3 S10 L11L3-M7 WeakPolarHBondContact O-CG 3.48Å; L3-M7 PolarHBondContact O-N 2.98Å; M7-S10 PolarHBondContact O-N 3.14Å; M7-L11 WeakPolarHBondContact O-CB 3.29Å; M7-L11 PolarHBondContact O-N 3.18Å
8L58.3Low52.4Low115 Ų115121.7 Ų121.760%0.60264%0.639SS**Hα-helixtrans-63.9-41173.8-82.9165.6000112A4 A5 L11 W12A4-L8 VanDerWaalsContact O-CB 3.3Å; A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 WeakPolarHBondContact O-CD1 3.29Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.32Å; A4-L8 PolarHBondContact O-N 2.91Å; A5-L8 PolarHBondContact O-N 2.96Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-W12 PolarHBondContact O-N 3.16Å
9W57.1Low51.8Low186 Ų186121.2 Ų121.271%0.70564%0.644SS**Hα-helixtrans-66-40.2178.6-153.713.5000111.7A5 E6 W12 I13A5-W9 WeakPolarHBondContact O-CB 3.13Å; A5-W9 PolarHBondContact O-N 3.38Å; E6-W9 PolarHBondContact O-N 3.06Å; W9-W12 WeakPolarHBondContact O-CB 3.04Å; W9-W12 PolarHBondContact O-N 3.23Å; W9-I13 WeakPolarHBondContact O-CG1 3.27Å; W9-I13 PolarHBondContact O-N 3.34Å
10S56.2Low50.9Low64 Ų64119.8 Ų119.845%0.44865%0.65SS.*Hα-helixtrans-64.9-39.3173.8-56.90000112.7E6 M7 I13 S14E6-S10 WeakPolarHBondContact O-CB 3.32Å; E6-S10 PolarHBondContact O-N 3.18Å; E6-S10 PolarHBondContact O-OG 2.94Å; M7-S10 PolarHBondContact O-N 3.14Å; S10-I13 PolarHBondContact O-N 3.25Å; S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.4Å; S10-S14 PolarHBondContact O-OG 3.39Å
11L54.3Low50.1Low104 Ų104121.4 Ų121.455%0.54565%0.653SS.*Hα-helixtrans-64.8-37.5170.9-93.9152.7000112.2M7 L8 S14 M15M7-L11 WeakPolarHBondContact O-CB 3.29Å; M7-L11 PolarHBondContact O-N 3.18Å; L8-L11 PolarHBondContact O-N 2.88Å; L11-S14 WeakPolarHBondContact O-CB 3.49Å; L11-S14 PolarHBondContact O-N 3.36Å; L11-M15 WeakPolarHBondContact O-CG 3.03Å; L11-M15 PolarHBondContact O-N 3.43Å
12W50.6Low49.5Very low187 Ų187115.3 Ų115.371%0.70864%0.635SS**Hα-helixtrans-64.6-47.2174.4-118.862.2000111.8L8 W9 S14 M15 V16L8-W12 PolarHBondContact O-N 3.16Å; W9-W12 WeakPolarHBondContact O-CB 3.04Å; W9-W12 PolarHBondContact O-N 3.23Å; W12-S14 PolarHBondContact O-N 3.15Å; W12-M15 PolarHBondContact O-N 2.91Å; W12-M15 VanDerWaalsContact O-N 3.08Å; W12-V16 WeakPolarHBondContact O-CG2 3.46Å; W12-V16 PolarHBondContact O-N 3.28Å
13I54.7Low48.9Very low102 Ų102119.3 Ų119.352%0.52364%0.644SS.*Hα-helixtrans-59.8-38.1174.9-67.2163.2000110.7W9 S10 M15 V16 L17W9-I13 WeakPolarHBondContact O-CG1 3.27Å; W9-I13 PolarHBondContact O-N 3.34Å; S10-I13 PolarHBondContact O-N 3.25Å; I13-M15 VanDerWaalsContact C-N 3.34Å; I13-M15 PolarHBondContact O-N 3Å; I13-V16 PolarHBondContact O-N 3.08Å; I13-L17 PolarHBondContact O-N 2.69Å
14S52Low48.4Very low81 Ų81122.4 Ų122.457%0.56665%0.652SS**Hα-helixtrans-67-30.3175.8-56.20000113.5S10 L11 W12S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.4Å; S10-S14 PolarHBondContact O-OG 3.39Å; L11-S14 WeakPolarHBondContact O-CB 3.49Å; L11-S14 PolarHBondContact O-N 3.36Å; W12-S14 PolarHBondContact O-N 3.15Å
15M48.6Very low48.1Very low154 Ų154123.3 Ų123.376%0.75966%0.659SS**Hα-helixtrans-82.9-23.9175.4-73-108.7-82.300113.4L11 W12 I13 L17L11-M15 WeakPolarHBondContact O-CG 3.03Å; L11-M15 PolarHBondContact O-N 3.43Å; W12-M15 PolarHBondContact O-N 2.91Å; W12-M15 VanDerWaalsContact O-N 3.08Å; I13-M15 VanDerWaalsContact C-N 3.34Å; I13-M15 PolarHBondContact O-N 3Å; M15-L17 VanDerWaalsContact C-N 3.33Å
16V46.5Very low48.2Very low100 Ų100125.1 Ų125.161%0.60667%0.668SS**Hα-helixtrans-80.2-15.3175.8172.30000112.2W12 I13 I18W12-V16 WeakPolarHBondContact O-CG2 3.46Å; W12-V16 PolarHBondContact O-N 3.28Å; I13-V16 PolarHBondContact O-N 3.08Å; V16-I18 PolarHBondContact O-N 3.26Å
17L40.3Very low48.7Very low135 Ų135122.4 Ų122.471%0.70766%0.661SS**  trans-72.661.5164.2-73.3172.2000111.8I13 M15 P19I13-L17 PolarHBondContact O-N 2.69Å; M15-L17 VanDerWaalsContact C-N 3.33Å; L17-P19 WeakPolarHBondContact O-CD 3.28Å
18I40.4Very low50Low127 Ų127124 Ų12465%0.65166%0.661SS**  trans-52.1127162-60.7172.7000107.1V16 A20V16-I18 PolarHBondContact O-N 3.26Å; I18-A20 PolarHBondContact O-N 3.07Å
19P40Very low51.6Low112 Ų112118.5 Ų118.573%0.72763%0.632SS**  trans-57.5108.9169.9-23.734.4000108.8L17 H21L17-P19 WeakPolarHBondContact O-CD 3.28Å; P19-H21 PolarHBondContact O-N 3.35Å; P19-H21 VanDerWaalsContact O-N 3.13Å
20A34.9Very low53.3Low93 Ų93112.3 Ų112.377%0.76962%0.615SS**  trans-48.7125173.600000107.3I18 S22I18-A20 PolarHBondContact O-N 3.07Å; A20-S22 PolarHBondContact O-N 3.01Å
21H33.9Very low55.1Low155 Ų155109.6 Ų109.672%0.71860%0.596SS**  trans-50.1118.3-158-7611.4000110.6P19 H23P19-H21 PolarHBondContact O-N 3.35Å; P19-H21 VanDerWaalsContact O-N 3.13Å; H21-H23 PolarHBondContact O-CD2 3.14Å; H21-H23 VanDerWaalsContact O-CD2 3.31Å; H21-H23 PolarHBondContact O-N 3.27Å
22S35.8Very low57Low117 Ų117105.7 Ų105.782%0.81858%0.576SS**  trans-66.389165.6-173.80000106.1A20 K24A20-S22 PolarHBondContact O-N 3.01Å; S22-K24 PolarHBondContact O-N 3.43Å
23H38.2Very low59.1Low165 Ų16596.9 Ų96.976%0.76454%0.543SS*.  trans-50.8112.9169.3-78.5-100.7000105.4H21 A25H21-H23 PolarHBondContact O-CD2 3.14Å; H21-H23 VanDerWaalsContact O-CD2 3.31Å; H21-H23 PolarHBondContact O-N 3.27Å; H23-A25 PolarHBondContact O-N 2.87Å
24K41.3Very low61Low202 Ų20292.4 Ų92.488%0.87852%0.52SS*.  trans-59.297.4167.6-79.6-175.6174.5-179.80105.7S22 S26S22-K24 PolarHBondContact O-N 3.43Å; K24-S26 PolarHBondContact O-N 2.83Å; K24-S26 VanDerWaalsContact O-N 3.13Å
25A52.1Low62.9Low76 Ų7688.6 Ų88.663%0.62849%0.493SS*.  trans-56.5122.4177.400000106.7H23H23-A25 PolarHBondContact O-N 2.87Å
26S60.4Low65Low97 Ų9782 Ų8268%0.67846%0.462SS*.  trans-53138173.1-57.40000108.3K24 R28K24-S26 PolarHBondContact O-N 2.83Å; K24-S26 VanDerWaalsContact O-N 3.13Å; S26-R28 PolarHBondContact O-N 2.88Å
27P69.8Low67.1Low74 Ų7479.1 Ų79.148%0.48144%0.443SS..  trans-45.7118.2172.6-30.837.4000110.4W43P27-W43 HydrophobicContact CB-CH2 3.56Å; P27-W43 HydrophobicContact CB-CZ2 3.57Å; P27-W43 HydrophobicContact CB-CZ3 4.46Å
28R85.6Confident69.7Low157 Ų15774.1 Ų74.159%0.59242%0.417SS*.  trans-142.3140.7-174.9-175.3168.9-179.9174.82.5111.5S26 V30 W43 T44 E115S26-R28 PolarHBondContact O-N 2.88Å; R28-V30 HydrophobicContact CG-CG2 4.43Å; R28-W43 VanDerWaalsContact C-CE3 3.49Å; R28-T44 PolarHBondContact N-OG1 2.75Å; R28-T44 PolarHBondContact O-N 2.95Å; R28-T44 VanDerWaalsContact O-N 3.12Å; R28-T44 PolarHBondContact O-OG1 3.13Å; R28-E115 WeakPolarHBondContact CA-OE1 3.21Å
29L90.8Very high72.3Confident1 Ų168 Ų681%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-80.7126.6166.7-176.467.9000109.4C41 W43 I56 I105 L107 E115 I117L29-C41 HydrophobicContact CD1-CB 4.11Å; L29-W43 HydrophobicContact CB-CE3 4.33Å; L29-I56 HydrophobicContact CD1-CD1 3.75Å; L29-I56 HydrophobicContact CD1-CG1 4.31Å; L29-I105 HydrophobicContact CD2-CG2 4.18Å; L29-L107 HydrophobicContact CD2-CB 4.33Å; L29-E115 HydrophobicContact CB-CB 4.4Å; L29-E115 HydrophobicContact CB-CG 3.49Å; L29-E115 VanDerWaalsContact CB-CG 3.49Å; L29-E115 PolarHBondContact N-OE1 3.03Å; L29-I117 HydrophobicContact CB-CD1 4.32Å; L29-I117 HydrophobicContact CD2-CD1 4.03Å; L29-I117 HydrophobicContact CD2-CG1 4.28Å; L29-I117 HydrophobicContact CG-CD1 4.04Å
30V92.4Very high75Confident56 Ų5664.6 Ų64.634%0.33936%0.364SS..EExtended strand (participates in β ladder)trans-121.7113.5178.2-178.40000108.4R28 C41 S42 T44R28-V30 HydrophobicContact CG-CG2 4.43Å; V30-C41 CarbonylContact O-C 3.49Å; V30-C41 WeakPolarHBondContact O-CA 3.35Å; V30-S42 PolarHBondContact N-O 3.13Å; V30-S42 PolarHBondContact O-N 3.33Å; V30-S42 PolarHBondContact O-OG 3.13Å; V30-T44 HydrophobicContact CG2-CG2 4.13Å
31C94.3Very high77.8Confident7 Ų760.4 Ų60.45%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-114.2141.8-179.6-650000111.2V39 S40 C41 I105 I117 Y120C31-V39 HydrophobicContact CB-CG1 4.28Å; C31-S40 WeakPolarHBondContact CA-O 3.35Å; C31-C41 HydrophobicContact CB-CB 4.13Å; C31-C41 WeakPolarHBondContact CB-SG 3.15Å; C31-C41 WeakPolarHBondContact SG-CB 3.48Å; C31-C41 CovalentContact SG-SG 2.04Å; C31-C41 PolarHBondContact SG-SG 3.24Å; C31-I105 HydrophobicContact CB-CD1 3.94Å; C31-I117 HydrophobicContact CB-CD1 4.27Å; C31-Y120 HydrophobicContact CB-CE2 3.94Å
32T95.2Very high80.6Confident21 Ų2154.7 Ų54.713%0.12931%0.307CS..EExtended strand (participates in β ladder)trans-131.9165.4169.761.10000110.2V39 S40 H125 K127 H213T32-V39 CarbonylContact O-C 3.56Å; T32-V39 WeakPolarHBondContact O-CA 3.45Å; T32-S40 PolarHBondContact N-O 3.27Å; T32-S40 PolarHBondContact O-N 3.25Å; T32-H125 CarbonylContact C-O 3.57Å; T32-H125 WeakPolarHBondContact CA-O 3.12Å; T32-H125 WeakPolarHBondContact CB-O 3.27Å; T32-K127 HydrophobicContact CG2-CB 4.24Å; T32-H213 VanDerWaalsContact CG2-CD2 3.5Å; T32-H213 WeakPolarHBondContact CG2-CD2 3.4Å
33N94.5Very high83.1Confident3 Ų350 Ų502%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-141.8158.5179.774.7105.5000112L35 N38 V39 F96 Y120 P122 H125 I126 K127N33-L35 VanDerWaalsContact C-N 3.29Å; N33-L35 PolarHBondContact O-N 3.1Å; N33-L35 VanDerWaalsContact OD1-CA 3.3Å; N33-L35 WeakPolarHBondContact OD1-CA 3.49Å; N33-L35 PolarHBondContact OD1-N 2.04Å; N33-N38 VanDerWaalsContact CA-O 3.23Å; N33-N38 WeakPolarHBondContact CA-O 3.46Å; N33-N38 WeakPolarHBondContact CB-O 3.37Å; N33-V39 HydrophobicContact CB-CG2 4.21Å; N33-F96 HydrophobicContact CB-CE2 4.42Å; N33-Y120 PolarHBondContact ND2-OH 2.92Å; N33-P122 WeakPolarHBondContact ND2-CA 3.19Å; N33-P122 PolarHBondContact ND2-O 2.77Å; N33-P122 WeakPolarHBondContact OD1-CB 3.38Å; N33-H125 PolarHBondContact N-O 3.45Å; N33-H125 PolarHBondContact ND2-O 3.13Å; N33-I126 CarbonylContact O-C 3.58Å; N33-I126 VanDerWaalsContact O-CA 3.31Å; N33-I126 WeakPolarHBondContact O-CA 3.5Å; N33-K127 PolarHBondContact O-N 3.4Å
34D93.1Very high85.3Confident8 Ų845.5 Ų45.54%0.04326%0.256CS..  trans-84.91.9-179.862.1-0.4000114.5V36 N37 N38 H129D34-V36 PolarHBondContact O-N 3.02Å; D34-V36 VanDerWaalsContact O-N 3.15Å; D34-V36 WeakPolarHBondContact OD1-CA 3.48Å; D34-V36 WeakPolarHBondContact OD1-CB 3.39Å; D34-V36 PolarHBondContact OD1-N 3.32Å; D34-N37 PolarHBondContact OD1-N 2.85Å; D34-N38 PolarHBondContact N-O 2.85Å; D34-N38 PolarHBondContact OD1-N 3.31Å; D34-N38 VanDerWaalsContact OD1-N 3.07Å; D34-N38 WeakPolarHBondContact OD2-CB 3.42Å; D34-H129 WeakPolarHBondContact CB-NE2 3.45Å; D34-H129 IonicContact OD2-CD2 2.66Å; D34-H129 IonicContact OD2-CE1 2.66Å; D34-H129 IonicContact OD2-NE2 3.48Å; D34-H129 PolarHBondContact OD2-NE2 2.94Å
35L92.5Very high86.7Confident0 Ų036.5 Ų36.50%022%0.22CC..SBendtrans54.716.8-166.1-152.675.7000113.7N33 F96 P122 I126 S154 F157N33-L35 VanDerWaalsContact C-N 3.29Å; N33-L35 PolarHBondContact O-N 3.1Å; N33-L35 VanDerWaalsContact OD1-CA 3.3Å; N33-L35 WeakPolarHBondContact OD1-CA 3.49Å; N33-L35 PolarHBondContact OD1-N 2.04Å; L35-F96 HydrophobicContact CD1-CB 4.06Å; L35-F96 HydrophobicContact CG-CB 4.42Å; L35-P122 HydrophobicContact CD1-CB 4.18Å; L35-I126 HydrophobicContact CB-CD1 4.4Å; L35-I126 HydrophobicContact CB-CG2 4.4Å; L35-I126 HydrophobicContact CD1-CD1 4.12Å; L35-I126 HydrophobicContact CD1-CG1 4.31Å; L35-I126 HydrophobicContact CD2-CD1 4.01Å; L35-I126 HydrophobicContact CG-CD1 4.41Å; L35-S154 WeakPolarHBondContact O-CB 3.46Å; L35-S154 PolarHBondContact O-OG 3.21Å; L35-F157 HydrophobicContact CB-CE1 4.39Å; L35-F157 HydrophobicContact CB-CE2 4.49Å; L35-F157 HydrophobicContact CB-CZ 3.84Å; L35-F157 HydrophobicContact CD2-CD1 4.36Å; L35-F157 HydrophobicContact CD2-CE1 3.86Å; L35-F157 HydrophobicContact CD2-CZ 4.07Å
36V92.1Very high87.5Confident16 Ų1637.5 Ų37.510%0.09723%0.228CC..SBendtrans-104.1-90.8169.3-174.60000107.1D34 K95 F96 P152D34-V36 PolarHBondContact O-N 3.02Å; D34-V36 VanDerWaalsContact O-N 3.15Å; D34-V36 WeakPolarHBondContact OD1-CA 3.48Å; D34-V36 WeakPolarHBondContact OD1-CB 3.39Å; D34-V36 PolarHBondContact OD1-N 3.32Å; V36-K95 CarbonylContact O-C 3.55Å; V36-K95 WeakPolarHBondContact O-CA 3.47Å; V36-F96 VanDerWaalsContact O-CD2 3.32Å; V36-F96 WeakPolarHBondContact O-CD2 3.47Å; V36-F96 PolarHBondContact O-N 3.33Å; V36-P152 HydrophobicContact CB-CG 4.27Å; V36-P152 HydrophobicContact CG1-CB 4.27Å; V36-P152 HydrophobicContact CG1-CG 4.13Å; V36-P152 HydrophobicContact CG2-CB 4.12Å; V36-P152 HydrophobicContact CG2-CG 4.04Å
37N92.1Very high87.7Confident39 Ų3936.8 Ų36.821%0.20924%0.236CC..SBendtrans-141.1-1.2-176.266.31.6000114.6D34 V90 F91 T94D34-N37 PolarHBondContact OD1-N 2.85Å; N37-V90 HydrophobicContact CB-CG1 4.15Å; N37-V90 VanDerWaalsContact CG-CG1 3.48Å; N37-V90 WeakPolarHBondContact O-CA 3.44Å; N37-F91 PolarHBondContact O-N 2.98Å; N37-T94 WeakPolarHBondContact CB-O 3.3Å
38N94.6Very high87.4Confident30 Ų3034.4 Ų34.416%0.1622%0.219CC..EExtended strand (participates in β ladder)trans-108.6130.1-171.2176.326.6000111.3N33 D34 S88 V90N33-N38 VanDerWaalsContact CA-O 3.23Å; N33-N38 WeakPolarHBondContact CA-O 3.46Å; N33-N38 WeakPolarHBondContact CB-O 3.37Å; D34-N38 PolarHBondContact N-O 2.85Å; D34-N38 PolarHBondContact OD1-N 3.31Å; D34-N38 VanDerWaalsContact OD1-N 3.07Å; D34-N38 WeakPolarHBondContact OD2-CB 3.42Å; N38-S88 WeakPolarHBondContact OD1-CB 3.33Å; N38-V90 HydrophobicContact CB-CG2 4.17Å
39V95.3Very high86.3Confident0 Ų030.6 Ų30.60%023%0.229CC..EExtended strand (participates in β ladder)trans-113.2122.1170.3-172.70000108.7C31 T32 N33 S88 F89 F91 F96 M102 I105C31-V39 HydrophobicContact CB-CG1 4.28Å; T32-V39 CarbonylContact O-C 3.56Å; T32-V39 WeakPolarHBondContact O-CA 3.45Å; N33-V39 HydrophobicContact CB-CG2 4.21Å; V39-S88 CarbonylContact O-C 3.59Å; V39-S88 WeakPolarHBondContact O-CA 3.36Å; V39-F89 HydrophobicContact CB-CD2 4.23Å; V39-F89 HydrophobicContact CB-CE1 4.09Å; V39-F89 HydrophobicContact CB-CE2 3.71Å; V39-F89 HydrophobicContact CB-CZ 3.63Å; V39-F89 HydrophobicContact CG1-CE1 4.1Å; V39-F89 HydrophobicContact CG1-CE2 4.27Å; V39-F89 HydrophobicContact CG1-CZ 3.71Å; V39-F89 HydrophobicContact CG2-CE2 3.94Å; V39-F89 HydrophobicContact CG2-CZ 4.21Å; V39-F89 PolarHBondContact N-O 3.31Å; V39-F89 PolarHBondContact O-N 3.02Å; V39-F91 HydrophobicContact CG2-CE2 4.36Å; V39-F96 HydrophobicContact CG2-CE2 3.78Å; V39-F96 HydrophobicContact CG2-CZ 3.47Å; V39-F96 VanDerWaalsContact CG2-CZ 3.47Å; V39-M102 HydrophobicContact CG2-SD 4.35Å; V39-I105 HydrophobicContact CG1-CD1 3.93Å
40S95.1Very high84.9Confident39 Ų3933.7 Ų33.727%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-111.8121.2-179.6-64.30000110C31 T32 S88C31-S40 WeakPolarHBondContact CA-O 3.35Å; T32-S40 PolarHBondContact N-O 3.27Å; T32-S40 PolarHBondContact O-N 3.25Å; S40-S88 WeakPolarHBondContact CB-OG 3.36Å; S40-S88 PolarHBondContact OG-OG 2.75Å
41C94.6Very high83.5Confident5 Ų531.9 Ų31.93%0.03424%0.242CC..EExtended strand (participates in β ladder)trans-121.5145.1-174.4-650000112L29 V30 C31 I56 G86 C87L29-C41 HydrophobicContact CD1-CB 4.11Å; V30-C41 CarbonylContact O-C 3.49Å; V30-C41 WeakPolarHBondContact O-CA 3.35Å; C31-C41 HydrophobicContact CB-CB 4.13Å; C31-C41 WeakPolarHBondContact CB-SG 3.15Å; C31-C41 WeakPolarHBondContact SG-CB 3.48Å; C31-C41 CovalentContact SG-SG 2.04Å; C31-C41 PolarHBondContact SG-SG 3.24Å; C41-I56 HydrophobicContact CB-CD1 3.65Å; C41-I56 HydrophobicContact CB-CG2 4.14Å; C41-G86 CarbonylContact O-C 3.52Å; C41-G86 WeakPolarHBondContact O-CA 3.42Å; C41-C87 PolarHBondContact N-O 3.44Å; C41-C87 PolarHBondContact O-N 3.11Å
42S92.3Very high82.2Confident36 Ų3638.3 Ų38.325%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-134148.1178.564.30000111.3V30 L85V30-S42 PolarHBondContact N-O 3.13Å; V30-S42 PolarHBondContact O-N 3.33Å; V30-S42 PolarHBondContact O-OG 3.13Å; S42-L85 CarbonylContact C-O 3.55Å; S42-L85 WeakPolarHBondContact CA-O 3.39Å
43W89.1Confident81.7Confident17 Ų1742 Ų426%0.06429%0.29CS..EExtended strand (participates in β ladder)trans-109.1124.3179.4176-109.8000110P27 R28 L29 G45 L48 L85 L107 V114 E115P27-W43 HydrophobicContact CB-CH2 3.56Å; P27-W43 HydrophobicContact CB-CZ2 3.57Å; P27-W43 HydrophobicContact CB-CZ3 4.46Å; R28-W43 VanDerWaalsContact C-CE3 3.49Å; L29-W43 HydrophobicContact CB-CE3 4.33Å; W43-G45 VanDerWaalsContact CD1-O 3.29Å; W43-G45 PolarHBondContact NE1-O 3.06Å; W43-L48 HydrophobicContact CG-CG 4.47Å; W43-L48 HydrophobicContact CZ2-CD1 4.09Å; W43-L85 HydrophobicContact CB-CB 4.31Å; W43-L85 PolarHBondContact N-O 3.5Å; W43-L107 HydrophobicContact CD2-CD2 3.88Å; W43-L107 HydrophobicContact CE3-CD2 3.6Å; W43-L107 HydrophobicContact CG-CD2 4.49Å; W43-L107 HydrophobicContact CH2-CD2 4.33Å; W43-L107 HydrophobicContact CZ3-CD2 3.87Å; W43-V114 HydrophobicContact CH2-CG1 4.21Å; W43-V114 HydrophobicContact CZ2-CG1 4.46Å; W43-E115 HydrophobicContact CH2-CB 4.41Å; W43-E115 HydrophobicContact CZ3-CB 3.86Å; W43-E115 HydrophobicContact CZ3-CG 3.96Å
44T83.4Confident81.5Confident72 Ų7242.1 Ų42.144%0.44229%0.291SS..  trans-96-4.9-178.460.70000113.7R28 V30R28-T44 PolarHBondContact N-OG1 2.75Å; R28-T44 PolarHBondContact O-N 2.95Å; R28-T44 VanDerWaalsContact O-N 3.12Å; R28-T44 PolarHBondContact O-OG1 3.13Å; V30-T44 HydrophobicContact CG2-CG2 4.13Å
45G72.6Confident81.5Confident13 Ų1343.3 Ų43.313%0.13430%0.299CS..  trans-79.9145.9-176.900000114.6W43W43-G45 VanDerWaalsContact CD1-O 3.29Å; W43-G45 PolarHBondContact NE1-O 3.06Å
46A68.1Low81.7Confident97 Ų9743.3 Ų43.380%0.80230%0.299SS*.SBendtrans-74.5153.9168.400000111.8
47G63.6Low81.8Confident81 Ų8143 Ų4384%0.83530%0.298SS*.  trans80.231.8161.700000117.1G49G47-G49 PolarHBondContact O-N 3.2Å
48L64.8Low81.9Confident25 Ų2541.1 Ų41.113%0.13129%0.288CS..  trans-80.237.6-175.5-146.242.8000113.6W43 C54 L77 L85 L107 C109 V114W43-L48 HydrophobicContact CG-CG 4.47Å; W43-L48 HydrophobicContact CZ2-CD1 4.09Å; L48-C54 HydrophobicContact CD2-CB 3.96Å; L48-C54 WeakPolarHBondContact CD2-SG 3.31Å; L48-L77 HydrophobicContact CD2-CD2 3.57Å; L48-L77 HydrophobicContact CG-CD2 4.37Å; L48-L85 HydrophobicContact CB-CD1 3.76Å; L48-L85 HydrophobicContact CG-CD1 4.3Å; L48-L107 HydrophobicContact CD1-CD2 4.45Å; L48-C109 VanDerWaalsContact CD2-SG 3.53Å; L48-V114 HydrophobicContact CD1-CG1 4.42Å
49G62.3Low81.9Confident77 Ų7742.3 Ų42.379%0.79429%0.292SS*.  trans55-145.7175.900000115.3G47G47-G49 PolarHBondContact O-N 3.2Å
50S60.6Low81.6Confident65 Ų6543 Ų4346%0.45530%0.295SS..  trans-78.7119153.6178.30000108.3E52S50-E52 PolarHBondContact O-N 2.99Å; S50-E52 WeakPolarHBondContact OG-CB 3.23Å; S50-E52 VanDerWaalsContact OG-CG 3.29Å; S50-E52 WeakPolarHBondContact OG-CG 3.48Å; S50-E52 PolarHBondContact OG-N 3.22Å; S50-E52 PolarHBondContact OG-OE2 2.84Å
51A63.8Low81.3Confident19 Ų1944 Ų4416%0.15730%0.297CS..G310 helixtrans-67.3-11178.800000113.7N53 C54 L77 L85A51-N53 PolarHBondContact O-N 3.12Å; A51-C54 WeakPolarHBondContact O-CB 3.3Å; A51-C54 PolarHBondContact O-N 2.94Å; A51-L77 HydrophobicContact CB-CD2 4.4Å; A51-L85 HydrophobicContact CB-CD1 4.39Å; A51-L85 HydrophobicContact CB-CD2 3.61Å
52E67.3Low80.7Confident141 Ų14145 Ų4566%0.65930%0.3SS*.G310 helixtrans-61.4-27.2-176.9-62169.213000113.6S50 K76S50-E52 PolarHBondContact O-N 2.99Å; S50-E52 WeakPolarHBondContact OG-CB 3.23Å; S50-E52 VanDerWaalsContact OG-CG 3.29Å; S50-E52 WeakPolarHBondContact OG-CG 3.48Å; S50-E52 PolarHBondContact OG-N 3.22Å; S50-E52 PolarHBondContact OG-OE2 2.84Å; E52-K76 PolarHBondContact O-NZ 3.32Å
53N84.4Confident80Confident100 Ų10052.3 Ų52.354%0.53532%0.323SS..G310 helixtrans-98.913178.2-70.2-3.3000113.4A51 N110A51-N53 PolarHBondContact O-N 3.12Å; N53-N110 WeakPolarHBondContact CB-OD1 3.49Å; N53-N110 PolarHBondContact ND2-OD1 2.73Å; N53-N110 PolarHBondContact O-N 2.98Å; N53-N110 VanDerWaalsContact O-N 3.14Å
54C90.3Very high79.3Confident4 Ų454.4 Ų54.43%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-110.6138.8179-64.30000112L48 A51 L77 I108 C109L48-C54 HydrophobicContact CD2-CB 3.96Å; L48-C54 WeakPolarHBondContact CD2-SG 3.31Å; A51-C54 WeakPolarHBondContact O-CB 3.3Å; A51-C54 PolarHBondContact O-N 2.94Å; C54-L77 HydrophobicContact CB-CB 4Å; C54-L77 HydrophobicContact CB-CD2 4.03Å; C54-L77 PolarHBondContact O-N 2.91Å; C54-I108 CarbonylContact C-O 3.57Å; C54-I108 VanDerWaalsContact CA-O 3.28Å; C54-I108 WeakPolarHBondContact CA-O 3.29Å; C54-C109 HydrophobicContact CB-CB 4.2Å; C54-C109 WeakPolarHBondContact CB-SG 3.21Å; C54-C109 WeakPolarHBondContact SG-CB 3.41Å; C54-C109 CovalentContact SG-SG 2.04Å; C54-C109 PolarHBondContact SG-SG 3.02Å
55S93.6Very high79.1Confident33 Ų3359.4 Ų59.423%0.23136%0.364CS..EExtended strand (participates in β ladder)trans-133.9149175.454.60000111.3C75 I108S55-C75 CarbonylContact C-O 3.28Å; S55-C75 WeakPolarHBondContact CA-O 3.42Å; S55-C75 VanDerWaalsContact CB-O 3.31Å; S55-C75 WeakPolarHBondContact CB-O 3.38Å; S55-I108 PolarHBondContact N-O 2.83Å; S55-I108 PolarHBondContact O-N 2.04Å
56I95Very high79.3Confident0 Ų062.2 Ų62.20%039%0.394CS..EExtended strand (participates in β ladder)trans-106.1128.6167-60.7168.8000106.9L29 C41 S74 C75 L77 F89 I105 Y106 L107L29-I56 HydrophobicContact CD1-CD1 3.75Å; L29-I56 HydrophobicContact CD1-CG1 4.31Å; C41-I56 HydrophobicContact CB-CD1 3.65Å; C41-I56 HydrophobicContact CB-CG2 4.14Å; I56-S74 CarbonylContact O-C 3.45Å; I56-S74 VanDerWaalsContact O-CA 3.23Å; I56-S74 WeakPolarHBondContact O-CA 3.45Å; I56-C75 PolarHBondContact N-O 3.14Å; I56-C75 PolarHBondContact O-N 3.17Å; I56-L77 HydrophobicContact CD1-CD1 3.52Å; I56-L77 HydrophobicContact CG1-CD1 4.09Å; I56-F89 HydrophobicContact CG2-CD1 4.46Å; I56-F89 HydrophobicContact CG2-CE1 3.89Å; I56-I105 HydrophobicContact CG2-CG2 3.61Å; I56-Y106 WeakPolarHBondContact CA-O 3.48Å; I56-L107 HydrophobicContact CG1-CD1 3.74Å
57S95.2Very high80Confident10 Ų1064.2 Ų64.27%0.0739%0.386CS..EExtended strand (participates in β ladder)trans-122132.8179.6-60.40000110.2K73 S74 I105 Y106S57-K73 CarbonylContact C-O 3.55Å; S57-K73 WeakPolarHBondContact CA-O 3.5Å; S57-S74 VanDerWaalsContact OG-CB 3.23Å; S57-S74 WeakPolarHBondContact OG-CB 3.32Å; S57-I105 CarbonylContact O-C 3.49Å; S57-I105 WeakPolarHBondContact O-CA 3.46Å; S57-Y106 PolarHBondContact N-O 3.33Å; S57-Y106 WeakPolarHBondContact O-CD2 3.32Å; S57-Y106 PolarHBondContact O-N 2.79Å
58G94.9Very high81Confident0 Ų064.7 Ų64.70%037%0.367CS..EExtended strand (participates in β ladder)trans-112.5137.2171.900000111.3M72 K73G58-M72 WeakPolarHBondContact O-CA 3.31Å; G58-K73 PolarHBondContact N-O 2.96Å; G58-K73 PolarHBondContact O-N 2.93Å
59K93.2Very high82Confident55 Ų5566.3 Ų66.324%0.23938%0.378CS..EExtended strand (participates in β ladder)trans-101.4136.6169-68.8176.7-168.6164.70109.8L70 M72 M102 G104 Y106K59-L70 HydrophobicContact CB-CD1 4.18Å; K59-L70 HydrophobicContact CD-CD2 4.48Å; K59-M72 HydrophobicContact CG-CE 4.23Å; K59-M72 HydrophobicContact CG-CG 4.14Å; K59-M102 WeakPolarHBondContact O-CB 3.47Å; K59-M102 WeakPolarHBondContact O-CE 3.35Å; K59-G104 PolarHBondContact N-O 2.86Å; K59-Y106 HydrophobicContact CB-CE2 4.43Å; K59-Y106 HydrophobicContact CD-CE2 3.66Å; K59-Y106 HydrophobicContact CG-CE2 3.87Å; K59-Y106 PolarHBondContact NZ-OH 2.82Å; K59-Y106 VanDerWaalsContact NZ-OH 3.14Å
60K90Very high83.3Confident15 Ų1567.6 Ų67.67%0.06537%0.366CS..EExtended strand (participates in β ladder)trans-133.5150.7167.1172.2169.2163.1166.30109.4F62 E71 F91 K95 F96 D100 M102K60-F62 VanDerWaalsContact C-CE2 3.41Å; K60-F62 HydrophobicContact CB-CD2 4.43Å; K60-F62 HydrophobicContact CB-CE2 3.47Å; K60-F62 VanDerWaalsContact CB-CE2 3.47Å; K60-F62 HydrophobicContact CB-CZ 3.55Å; K60-F62 HydrophobicContact CD-CE1 3.77Å; K60-F62 HydrophobicContact CD-CE2 4.26Å; K60-F62 HydrophobicContact CD-CZ 3.56Å; K60-F62 HydrophobicContact CG-CD2 4.23Å; K60-F62 HydrophobicContact CG-CE1 3.91Å; K60-F62 HydrophobicContact CG-CE2 3.55Å; K60-F62 HydrophobicContact CG-CZ 3.39Å; K60-F62 WeakPolarHBondContact O-CD2 3.05Å; K60-F62 WeakPolarHBondContact O-CE2 3.11Å; K60-E71 PolarHBondContact N-O 3.47Å; K60-E71 PolarHBondContact O-N 3.33Å; K60-F91 HydrophobicContact CB-CD1 4.38Å; K60-F91 HydrophobicContact CB-CE1 3.89Å; K60-F91 HydrophobicContact CB-CE2 4.35Å; K60-F91 HydrophobicContact CB-CZ 3.87Å; K60-K95 PolarHBondContact NZ-O 2.95Å; K60-K95 VanDerWaalsContact NZ-O 3.16Å; K60-F96 HydrophobicContact CD-CD1 4.19Å; K60-F96 HydrophobicContact CD-CE1 3.8Å; K60-D100 WeakPolarHBondContact CE-OD2 3.41Å; K60-D100 IonicContact NZ-OD2 2.66Å; K60-D100 PolarHBondContact NZ-OD2 2.86Å; K60-M102 HydrophobicContact CB-CG 4.21Å
61L87.7Confident84.7Confident59 Ų5967.5 Ų67.531%0.30936%0.358SS..EExtended strand (participates in β ladder)trans-97.5142.7174.2-68.4160.4000109.5E68 T69 L70 P103L61-E68 HydrophobicContact CB-CG 4.14Å; L61-E68 WeakPolarHBondContact CB-OE1 3.44Å; L61-E68 HydrophobicContact CD2-CG 3.95Å; L61-T69 CarbonylContact C-O 3.6Å; L61-T69 WeakPolarHBondContact CA-O 3.02Å; L61-L70 HydrophobicContact CD2-CB 4.2Å; L61-L70 HydrophobicContact CD2-CD1 3.58Å; L61-L70 HydrophobicContact CG-CD1 4.05Å; L61-P103 HydrophobicContact CD1-CG 3.67Å; L61-P103 HydrophobicContact CG-CG 3.92Å
62F82.4Confident86.1Confident25 Ų2571.7 Ų71.711%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-136.5115.7-167.9-65.3-86.9000111K60 S64 T69 E71 F91 T94K60-F62 VanDerWaalsContact C-CE2 3.41Å; K60-F62 HydrophobicContact CB-CD2 4.43Å; K60-F62 HydrophobicContact CB-CE2 3.47Å; K60-F62 VanDerWaalsContact CB-CE2 3.47Å; K60-F62 HydrophobicContact CB-CZ 3.55Å; K60-F62 HydrophobicContact CD-CE1 3.77Å; K60-F62 HydrophobicContact CD-CE2 4.26Å; K60-F62 HydrophobicContact CD-CZ 3.56Å; K60-F62 HydrophobicContact CG-CD2 4.23Å; K60-F62 HydrophobicContact CG-CE1 3.91Å; K60-F62 HydrophobicContact CG-CE2 3.55Å; K60-F62 HydrophobicContact CG-CZ 3.39Å; K60-F62 WeakPolarHBondContact O-CD2 3.05Å; K60-F62 WeakPolarHBondContact O-CE2 3.11Å; F62-S64 PolarHBondContact O-N 2.89Å; F62-T69 WeakPolarHBondContact CB-O 3.14Å; F62-T69 WeakPolarHBondContact CB-OG1 3.38Å; F62-T69 PolarHBondContact N-O 2.88Å; F62-T69 PolarHBondContact O-N 3.38Å; F62-T69 PolarHBondContact O-OG1 2.9Å; F62-E71 HydrophobicContact CD2-CB 3.65Å; F62-E71 HydrophobicContact CE2-CB 3.24Å; F62-E71 HydrophobicContact CZ-CB 4.05Å; F62-F91 HydrophobicContact CE2-CD1 4.17Å; F62-F91 HydrophobicContact CE2-CE1 4.36Å; F62-F91 HydrophobicContact CZ-CB 4.23Å; F62-F91 AromaticContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CE1 4.11Å; F62-F91 HydrophobicContact CZ-CG 4.06Å; F62-T94 HydrophobicContact CD1-CG2 3.48Å; F62-T94 VanDerWaalsContact CD1-CG2 3.48Å; F62-T94 HydrophobicContact CE1-CG2 3.38Å
63W77.3Confident87.4Confident190 Ų19067 Ų6772%0.7235%0.354SS*.EExtended strand (participates in β ladder)trans-82.9112.6175-62.491000109.5E67 E68W63-E67 WeakPolarHBondContact CA-O 3.07Å; W63-E68 HydrophobicContact CD2-CB 4.37Å; W63-E68 HydrophobicContact CD2-CG 4.43Å; W63-E68 HydrophobicContact CE3-CB 4.11Å; W63-E68 HydrophobicContact CH2-CB 3.86Å; W63-E68 HydrophobicContact CH2-CG 4.22Å; W63-E68 HydrophobicContact CZ2-CB 4.11Å; W63-E68 VanDerWaalsContact CZ2-CD 3.46Å; W63-E68 HydrophobicContact CZ2-CG 3.95Å; W63-E68 WeakPolarHBondContact CZ2-OE1 3.37Å; W63-E68 HydrophobicContact CZ3-CB 3.86Å
64S75.1Confident87.9Confident62 Ų6266 Ų6643%0.43435%0.354SS..EExtended strand (participates in β ladder)trans-135.7124.1-179.9-173.30000109.4F62 G66 E67F62-S64 PolarHBondContact O-N 2.89Å; S64-G66 PolarHBondContact O-N 3.44Å; S64-E67 PolarHBondContact N-O 2.89Å; S64-E67 PolarHBondContact O-N 2.94Å
65N78.1Confident88.1Confident176 Ų17666.6 Ų66.694%0.94136%0.358SS*.THydrogen-bonded Turntrans53.420.6-179.5-56.4-23.3000115.7
66G76.9Confident88.1Confident73 Ų7371.5 Ų71.575%0.75338%0.375SS*.THydrogen-bonded Turntrans94.1-5.9-17600000115.1S64S64-G66 PolarHBondContact O-N 3.44Å
67E83.4Confident87.8Confident138 Ų13871.8 Ų71.865%0.64538%0.377SS*.EExtended strand (participates in β ladder)trans-97.6144.5174.7-171.1172.9-17400110.9W63 S64 T69W63-E67 WeakPolarHBondContact CA-O 3.07Å; S64-E67 PolarHBondContact N-O 2.89Å; S64-E67 PolarHBondContact O-N 2.94Å; E67-T69 HydrophobicContact CG-CG2 4.38Å
68E83.9Confident87.5Confident91 Ų9178.4 Ų78.443%0.42540%0.404SS..EExtended strand (participates in β ladder)trans-95.4117.5173-169.9176.3-137.100110.1L61 W63L61-E68 HydrophobicContact CB-CG 4.14Å; L61-E68 WeakPolarHBondContact CB-OE1 3.44Å; L61-E68 HydrophobicContact CD2-CG 3.95Å; W63-E68 HydrophobicContact CD2-CB 4.37Å; W63-E68 HydrophobicContact CD2-CG 4.43Å; W63-E68 HydrophobicContact CE3-CB 4.11Å; W63-E68 HydrophobicContact CH2-CB 3.86Å; W63-E68 HydrophobicContact CH2-CG 4.22Å; W63-E68 HydrophobicContact CZ2-CB 4.11Å; W63-E68 VanDerWaalsContact CZ2-CD 3.46Å; W63-E68 HydrophobicContact CZ2-CG 3.95Å; W63-E68 WeakPolarHBondContact CZ2-OE1 3.37Å; W63-E68 HydrophobicContact CZ3-CB 3.86Å
69T86.4Confident86.8Confident60 Ų6084.8 Ų84.837%0.36843%0.434SS..EExtended strand (participates in β ladder)trans-114.4140.7-178.155.50000110.9L61 F62 E67L61-T69 CarbonylContact C-O 3.6Å; L61-T69 WeakPolarHBondContact CA-O 3.02Å; F62-T69 WeakPolarHBondContact CB-O 3.14Å; F62-T69 WeakPolarHBondContact CB-OG1 3.38Å; F62-T69 PolarHBondContact N-O 2.88Å; F62-T69 PolarHBondContact O-N 3.38Å; F62-T69 PolarHBondContact O-OG1 2.9Å; E67-T69 HydrophobicContact CG-CG2 4.38Å
70L89.3Confident85.6Confident104 Ų10489.5 Ų89.555%0.54546%0.456SS..EExtended strand (participates in β ladder)trans-101.9105.5-178.4-17777.1000110.3K59 L61K59-L70 HydrophobicContact CB-CD1 4.18Å; K59-L70 HydrophobicContact CD-CD2 4.48Å; L61-L70 HydrophobicContact CD2-CB 4.2Å; L61-L70 HydrophobicContact CD2-CD1 3.58Å; L61-L70 HydrophobicContact CG-CD1 4.05Å
71E90.7Very high84.6Confident62 Ų6291.3 Ų91.329%0.2948%0.479SS..EExtended strand (participates in β ladder)trans-91.9140.8171-149.7-169.3-161.300110.5K60 F62 K73 F91K60-E71 PolarHBondContact N-O 3.47Å; K60-E71 PolarHBondContact O-N 3.33Å; F62-E71 HydrophobicContact CD2-CB 3.65Å; F62-E71 HydrophobicContact CE2-CB 3.24Å; F62-E71 HydrophobicContact CZ-CB 4.05Å; E71-K73 VanDerWaalsContact CD-CE 3.44Å; E71-K73 WeakPolarHBondContact OE1-CE 3.08Å; E71-K73 IonicContact OE1-NZ 2.68Å; E71-K73 PolarHBondContact OE1-NZ 2.99Å; E71-K73 WeakPolarHBondContact OE2-CE 3.03Å; E71-K73 IonicContact OE2-NZ 3.64Å; E71-F91 WeakPolarHBondContact OE2-CD1 3.45Å
72M92.8Very high83.3Confident108 Ų10897 Ų9753%0.53251%0.51SS..EExtended strand (participates in β ladder)trans-118.1124.2169.5-164.9-173.4-45.500109.6G58 K59G58-M72 WeakPolarHBondContact O-CA 3.31Å; K59-M72 HydrophobicContact CG-CE 4.23Å; K59-M72 HydrophobicContact CG-CG 4.14Å
73K95.2Very high82.6Confident43 Ų4398.8 Ų98.819%0.18753%0.526CS..EExtended strand (participates in β ladder)trans-111.3149.3170.7-62.2-65.3-155.3-162.20108.8S57 G58 E71 F89 V90 F91 E92S57-K73 CarbonylContact C-O 3.55Å; S57-K73 WeakPolarHBondContact CA-O 3.5Å; G58-K73 PolarHBondContact N-O 2.96Å; G58-K73 PolarHBondContact O-N 2.93Å; E71-K73 VanDerWaalsContact CD-CE 3.44Å; E71-K73 WeakPolarHBondContact OE1-CE 3.08Å; E71-K73 IonicContact OE1-NZ 2.68Å; E71-K73 PolarHBondContact OE1-NZ 2.99Å; E71-K73 WeakPolarHBondContact OE2-CE 3.03Å; E71-K73 IonicContact OE2-NZ 3.64Å; K73-F89 HydrophobicContact CB-CB 4.22Å; K73-F89 HydrophobicContact CB-CD2 3.96Å; K73-F89 HydrophobicContact CB-CG 4.47Å; K73-V90 WeakPolarHBondContact CE-O 3.39Å; K73-V90 WeakPolarHBondContact CG-O 3.41Å; K73-F91 HydrophobicContact CB-CD1 4.22Å; K73-F91 HydrophobicContact CB-CE1 3.92Å; K73-F91 HydrophobicContact CB-CZ 4.28Å; K73-F91 HydrophobicContact CG-CD1 3.38Å; K73-F91 HydrophobicContact CG-CE1 3.51Å; K73-F91 HydrophobicContact CG-CG 4.09Å; K73-F91 HydrophobicContact CG-CZ 4.3Å; K73-E92 IonicContact NZ-OE2 3.9Å
74S94.4Very high82.5Confident79 Ų7992.9 Ų92.955%0.55251%0.514SS*.EExtended strand (participates in β ladder)trans-144.5157.6179.968.60000112.6I56 S57I56-S74 CarbonylContact O-C 3.45Å; I56-S74 VanDerWaalsContact O-CA 3.23Å; I56-S74 WeakPolarHBondContact O-CA 3.45Å; S57-S74 VanDerWaalsContact OG-CB 3.23Å; S57-S74 WeakPolarHBondContact OG-CB 3.32Å
75C94.6Very high83.1Confident15 Ų1591.4 Ų91.410%0.10150%0.501CS..EExtended strand (participates in β ladder)trans-135.7145.1173.959.60000110.5S55 I56 C87 S88 F89S55-C75 CarbonylContact C-O 3.28Å; S55-C75 WeakPolarHBondContact CA-O 3.42Å; S55-C75 VanDerWaalsContact CB-O 3.31Å; S55-C75 WeakPolarHBondContact CB-O 3.38Å; I56-C75 PolarHBondContact N-O 3.14Å; I56-C75 PolarHBondContact O-N 3.17Å; C75-C87 HydrophobicContact CB-CB 3.62Å; C75-C87 WeakPolarHBondContact CB-SG 3.43Å; C75-C87 PolarHBondContact O-SG 2.83Å; C75-C87 WeakPolarHBondContact SG-CB 3.23Å; C75-C87 CovalentContact SG-SG 2.04Å; C75-C87 PolarHBondContact SG-SG 2.9Å; C75-S88 VanDerWaalsContact CB-O 3.23Å; C75-S88 WeakPolarHBondContact CB-O 3.23Å; C75-S88 PolarHBondContact SG-N 3.33Å; C75-F89 HydrophobicContact CB-CB 4.31Å
76K92.6Very high83.7Confident137 Ų13783.8 Ų83.860%0.59646%0.464SS*.EExtended strand (participates in β ladder)trans-75.4134169-74.4-160170.2-1530110E52 C87E52-K76 PolarHBondContact O-NZ 3.32Å; K76-C87 VanDerWaalsContact O-CB 3.23Å; K76-C87 WeakPolarHBondContact O-CB 3.35Å
77L90.4Very high84.4Confident5 Ų581.1 Ų81.13%0.02643%0.434CS..  trans-66.5135.1179-161.772.2000110.1L48 A51 C54 I56 L85 L107L48-L77 HydrophobicContact CD2-CD2 3.57Å; L48-L77 HydrophobicContact CG-CD2 4.37Å; A51-L77 HydrophobicContact CB-CD2 4.4Å; C54-L77 HydrophobicContact CB-CB 4Å; C54-L77 HydrophobicContact CB-CD2 4.03Å; C54-L77 PolarHBondContact O-N 2.91Å; I56-L77 HydrophobicContact CD1-CD1 3.52Å; I56-L77 HydrophobicContact CG1-CD1 4.09Å; L77-L85 HydrophobicContact CD1-CB 4.4Å; L77-L85 HydrophobicContact CD2-CB 3.93Å; L77-L85 HydrophobicContact CD2-CD1 4.28Å; L77-L85 HydrophobicContact CD2-CD2 4.37Å; L77-L85 HydrophobicContact CD2-CG 4.44Å; L77-L85 HydrophobicContact CG-CB 4.06Å; L77-L85 HydrophobicContact CG-CD2 4.4Å; L77-L107 HydrophobicContact CD2-CD1 4.38Å
78K87Confident85Confident150 Ų15077.6 Ų77.665%0.65242%0.424SS*.EExtended strand (participates in β ladder)trans-135.2149.7179.6-65.8-179.5-177.3179.30110.4G86K78-G86 PolarHBondContact N-O 3.35Å; K78-G86 PolarHBondContact O-N 2.96Å; K78-G86 VanDerWaalsContact O-O 3.05Å
79Q80.9Confident85.5Confident134 Ų13473.6 Ų73.663%0.62641%0.405SS*.EExtended strand (participates in β ladder)trans-92.5126.4170.1-167.6174.6-7.800109.2G81 L85Q79-G81 WeakPolarHBondContact CG-O 3.34Å; Q79-G81 PolarHBondContact NE2-O 3.47Å; Q79-L85 HydrophobicContact CB-CD2 3.77Å; Q79-L85 HydrophobicContact CG-CD2 4.44Å
80H68.4Low85.9Confident153 Ų15373.3 Ų73.371%0.70840%0.403SS*.  trans-103.179.6179.9-162.773.7000111N82 S83H80-N82 PolarHBondContact O-N 3.08Å; H80-S83 WeakPolarHBondContact O-CB 3.23Å; H80-S83 PolarHBondContact O-N 3.34Å; H80-S83 VanDerWaalsContact O-N 3.12Å; H80-S83 PolarHBondContact O-OG 3.31Å
81G67.8Low86Confident53 Ų5368.3 Ų68.355%0.54638%0.377SS..THydrogen-bonded Turntrans61.3-129-173.600000111.7Q79 S83Q79-G81 WeakPolarHBondContact CG-O 3.34Å; Q79-G81 PolarHBondContact NE2-O 3.47Å; G81-S83 PolarHBondContact O-N 2.97Å
82N62.4Low85.6Confident178 Ų17871.9 Ų71.995%0.95239%0.394SS*.THydrogen-bonded Turntrans-78.15.5177.5-66.57.1000113.8H80H80-N82 PolarHBondContact O-N 3.08Å
83S67.4Low84.7Confident63 Ų6374 Ų7444%0.44141%0.407SS..SBendtrans-77.6164.4179-45.50000112.2H80 G81H80-S83 WeakPolarHBondContact O-CB 3.23Å; H80-S83 PolarHBondContact O-N 3.34Å; H80-S83 VanDerWaalsContact O-N 3.12Å; H80-S83 PolarHBondContact O-OG 3.31Å; G81-S83 PolarHBondContact O-N 2.97Å
84S75.2Confident83.7Confident67 Ų6773.8 Ų73.847%0.46941%0.409SS..PPolyproline II helixtrans-55.7153.2166.942.80000112
85L87.4Confident83.1Confident30 Ų3075.2 Ų75.216%0.15741%0.406CS..EExtended strand (participates in β ladder)trans-61.4134.3169.1-77.4166000109.6S42 W43 L48 A51 L77 Q79S42-L85 CarbonylContact C-O 3.55Å; S42-L85 WeakPolarHBondContact CA-O 3.39Å; W43-L85 HydrophobicContact CB-CB 4.31Å; W43-L85 PolarHBondContact N-O 3.5Å; L48-L85 HydrophobicContact CB-CD1 3.76Å; L48-L85 HydrophobicContact CG-CD1 4.3Å; A51-L85 HydrophobicContact CB-CD1 4.39Å; A51-L85 HydrophobicContact CB-CD2 3.61Å; L77-L85 HydrophobicContact CD1-CB 4.4Å; L77-L85 HydrophobicContact CD2-CB 3.93Å; L77-L85 HydrophobicContact CD2-CD1 4.28Å; L77-L85 HydrophobicContact CD2-CD2 4.37Å; L77-L85 HydrophobicContact CD2-CG 4.44Å; L77-L85 HydrophobicContact CG-CB 4.06Å; L77-L85 HydrophobicContact CG-CD2 4.4Å; Q79-L85 HydrophobicContact CB-CD2 3.77Å; Q79-L85 HydrophobicContact CG-CD2 4.44Å
86G90.3Very high82.8Confident16 Ų1674.5 Ų74.517%0.16540%0.401CS..EExtended strand (participates in β ladder)trans-168.4170.6-178.800000113.8C41 K78C41-G86 CarbonylContact O-C 3.52Å; C41-G86 WeakPolarHBondContact O-CA 3.42Å; K78-G86 PolarHBondContact N-O 3.35Å; K78-G86 PolarHBondContact O-N 2.96Å; K78-G86 VanDerWaalsContact O-O 3.05Å
87C92.6Very high82.5Confident18 Ų1869 Ų6912%0.12238%0.38CS..EExtended strand (participates in β ladder)trans-162.4169.9167.265.20000110.7C41 C75 K76C41-C87 PolarHBondContact N-O 3.44Å; C41-C87 PolarHBondContact O-N 3.11Å; C75-C87 HydrophobicContact CB-CB 3.62Å; C75-C87 WeakPolarHBondContact CB-SG 3.43Å; C75-C87 PolarHBondContact O-SG 2.83Å; C75-C87 WeakPolarHBondContact SG-CB 3.23Å; C75-C87 CovalentContact SG-SG 2.04Å; C75-C87 PolarHBondContact SG-SG 2.9Å; K76-C87 VanDerWaalsContact O-CB 3.23Å; K76-C87 WeakPolarHBondContact O-CB 3.35Å
88S94.8Very high82.1Confident63 Ų6369.6 Ų69.644%0.44139%0.388SS..EExtended strand (participates in β ladder)trans-126.3147179.7-50.50000110.9N38 V39 S40 C75N38-S88 WeakPolarHBondContact OD1-CB 3.33Å; V39-S88 CarbonylContact O-C 3.59Å; V39-S88 WeakPolarHBondContact O-CA 3.36Å; S40-S88 WeakPolarHBondContact CB-OG 3.36Å; S40-S88 PolarHBondContact OG-OG 2.75Å; C75-S88 VanDerWaalsContact CB-O 3.23Å; C75-S88 WeakPolarHBondContact CB-O 3.23Å; C75-S88 PolarHBondContact SG-N 3.33Å
89F94.9Very high82Confident7 Ų772.6 Ų72.63%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-135.2148.9176.858.6-91.8000110.9V39 I56 K73 C75 F91 M102 I105V39-F89 HydrophobicContact CB-CD2 4.23Å; V39-F89 HydrophobicContact CB-CE1 4.09Å; V39-F89 HydrophobicContact CB-CE2 3.71Å; V39-F89 HydrophobicContact CB-CZ 3.63Å; V39-F89 HydrophobicContact CG1-CE1 4.1Å; V39-F89 HydrophobicContact CG1-CE2 4.27Å; V39-F89 HydrophobicContact CG1-CZ 3.71Å; V39-F89 HydrophobicContact CG2-CE2 3.94Å; V39-F89 HydrophobicContact CG2-CZ 4.21Å; V39-F89 PolarHBondContact N-O 3.31Å; V39-F89 PolarHBondContact O-N 3.02Å; I56-F89 HydrophobicContact CG2-CD1 4.46Å; I56-F89 HydrophobicContact CG2-CE1 3.89Å; K73-F89 HydrophobicContact CB-CB 4.22Å; K73-F89 HydrophobicContact CB-CD2 3.96Å; K73-F89 HydrophobicContact CB-CG 4.47Å; C75-F89 HydrophobicContact CB-CB 4.31Å; F89-F91 AromaticContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CZ 4.2Å; F89-F91 AromaticContact CE2-CE2 3.66Å; F89-F91 HydrophobicContact CE2-CE2 3.66Å; F89-F91 AromaticContact CE2-CZ 3.92Å; F89-F91 HydrophobicContact CE2-CZ 3.92Å; F89-M102 HydrophobicContact CE2-CE 4.23Å; F89-I105 HydrophobicContact CE1-CG2 4.2Å; F89-I105 HydrophobicContact CZ-CD1 4.34Å; F89-I105 HydrophobicContact CZ-CG1 4.33Å; F89-I105 HydrophobicContact CZ-CG2 4.08Å
90V94.3Very high82.4Confident54 Ų5467.7 Ų67.733%0.32738%0.375SS..EExtended strand (participates in β ladder)trans-128.3131.1-165.8-176.80000111.2N37 N38 K73 E92N37-V90 HydrophobicContact CB-CG1 4.15Å; N37-V90 VanDerWaalsContact CG-CG1 3.48Å; N37-V90 WeakPolarHBondContact O-CA 3.44Å; N38-V90 HydrophobicContact CB-CG2 4.17Å; K73-V90 WeakPolarHBondContact CE-O 3.39Å; K73-V90 WeakPolarHBondContact CG-O 3.41Å; V90-E92 HydrophobicContact CG1-CG 4.11Å; V90-E92 PolarHBondContact O-N 3.01Å
91F91.7Very high83.5Confident0 Ų064 Ų640%036%0.362CS..  trans-96.770.8173.6-62.4-81.7000110.4N37 V39 K60 F62 E71 K73 F89 N93 T94 F96 M102N37-F91 PolarHBondContact O-N 2.98Å; V39-F91 HydrophobicContact CG2-CE2 4.36Å; K60-F91 HydrophobicContact CB-CD1 4.38Å; K60-F91 HydrophobicContact CB-CE1 3.89Å; K60-F91 HydrophobicContact CB-CE2 4.35Å; K60-F91 HydrophobicContact CB-CZ 3.87Å; F62-F91 HydrophobicContact CE2-CD1 4.17Å; F62-F91 HydrophobicContact CE2-CE1 4.36Å; F62-F91 HydrophobicContact CZ-CB 4.23Å; F62-F91 AromaticContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CE1 4.11Å; F62-F91 HydrophobicContact CZ-CG 4.06Å; E71-F91 WeakPolarHBondContact OE2-CD1 3.45Å; K73-F91 HydrophobicContact CB-CD1 4.22Å; K73-F91 HydrophobicContact CB-CE1 3.92Å; K73-F91 HydrophobicContact CB-CZ 4.28Å; K73-F91 HydrophobicContact CG-CD1 3.38Å; K73-F91 HydrophobicContact CG-CE1 3.51Å; K73-F91 HydrophobicContact CG-CG 4.09Å; K73-F91 HydrophobicContact CG-CZ 4.3Å; F89-F91 AromaticContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CZ 4.2Å; F89-F91 AromaticContact CE2-CE2 3.66Å; F89-F91 HydrophobicContact CE2-CE2 3.66Å; F89-F91 AromaticContact CE2-CZ 3.92Å; F89-F91 HydrophobicContact CE2-CZ 3.92Å; F91-N93 VanDerWaalsContact C-N 3.27Å; F91-N93 PolarHBondContact O-N 3.41Å; F91-T94 PolarHBondContact O-N 3.24Å; F91-T94 PolarHBondContact O-OG1 3.41Å; F91-F96 HydrophobicContact CD2-CE1 4.25Å; F91-F96 HydrophobicContact CD2-CE2 4.5Å; F91-F96 AromaticContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CE2-CE1 4.45Å; F91-F96 AromaticContact CE2-CZ 3.96Å; F91-F96 HydrophobicContact CE2-CZ 3.96Å; F91-M102 HydrophobicContact CE2-CE 3.7Å; F91-M102 HydrophobicContact CE2-SD 4.35Å; F91-M102 HydrophobicContact CZ-CE 3.76Å
92E82.6Confident84.7Confident136 Ų13661.5 Ų61.564%0.63634%0.336SS*.THydrogen-bonded Turntrans-41.2-45.8-165-64.1166.3140.100115.1K73 V90 T94K73-E92 IonicContact NZ-OE2 3.9Å; V90-E92 HydrophobicContact CG1-CG 4.11Å; V90-E92 PolarHBondContact O-N 3.01Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 3.21Å
93N74.1Confident86.2Confident152 Ų15254.8 Ų54.881%0.81330%0.303SS*.THydrogen-bonded Turntrans-81.26.1-173.1-67.3-33.1000115.2F91F91-N93 VanDerWaalsContact C-N 3.27Å; F91-N93 PolarHBondContact O-N 3.41Å
94T72.8Confident87.4Confident39 Ų3951.8 Ų51.824%0.23928%0.282CS..  trans-137.8166.9-175.461.30000115.4N37 F62 F91 E92N37-T94 WeakPolarHBondContact CB-O 3.3Å; F62-T94 HydrophobicContact CD1-CG2 3.48Å; F62-T94 VanDerWaalsContact CD1-CG2 3.48Å; F62-T94 HydrophobicContact CE1-CG2 3.38Å; F91-T94 PolarHBondContact O-N 3.24Å; F91-T94 PolarHBondContact O-OG1 3.41Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 3.21Å
95K82.8Confident88.4Confident109 Ų10948.6 Ų48.647%0.47426%0.26SS..  trans-107.6151.7161.2-62.2-178.3-175.7179.10109.9V36 K60 M155 Y156V36-K95 CarbonylContact O-C 3.55Å; V36-K95 WeakPolarHBondContact O-CA 3.47Å; K60-K95 PolarHBondContact NZ-O 2.95Å; K60-K95 VanDerWaalsContact NZ-O 3.16Å; K95-M155 HydrophobicContact CD-CE 4.28Å; K95-M155 HydrophobicContact CD-SD 4.07Å; K95-Y156 HydrophobicContact CB-CE2 4.35Å
96F89Confident88.8Confident0 Ų048.8 Ų48.80%026%0.258CS..  trans-81.8129165.5-70.1-66.3000109.9N33 L35 V36 V39 K60 F91 D100 M102 P122 Y156N33-F96 HydrophobicContact CB-CE2 4.42Å; L35-F96 HydrophobicContact CD1-CB 4.06Å; L35-F96 HydrophobicContact CG-CB 4.42Å; V36-F96 VanDerWaalsContact O-CD2 3.32Å; V36-F96 WeakPolarHBondContact O-CD2 3.47Å; V36-F96 PolarHBondContact O-N 3.33Å; V39-F96 HydrophobicContact CG2-CE2 3.78Å; V39-F96 HydrophobicContact CG2-CZ 3.47Å; V39-F96 VanDerWaalsContact CG2-CZ 3.47Å; K60-F96 HydrophobicContact CD-CD1 4.19Å; K60-F96 HydrophobicContact CD-CE1 3.8Å; F91-F96 HydrophobicContact CD2-CE1 4.25Å; F91-F96 HydrophobicContact CD2-CE2 4.5Å; F91-F96 AromaticContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CE2-CE1 4.45Å; F91-F96 AromaticContact CE2-CZ 3.96Å; F91-F96 HydrophobicContact CE2-CZ 3.96Å; F96-D100 WeakPolarHBondContact CA-OD2 3.47Å; F96-M102 HydrophobicContact CE1-CG 4.43Å; F96-M102 HydrophobicContact CE1-SD 3.79Å; F96-M102 HydrophobicContact CZ-SD 4.13Å; F96-P122 HydrophobicContact CB-CB 4.01Å; F96-P122 HydrophobicContact CB-CG 4.43Å; F96-P122 HydrophobicContact CD1-CB 3.9Å; F96-P122 HydrophobicContact CD1-CG 3.49Å; F96-P122 VanDerWaalsContact CD1-CG 3.49Å; F96-P122 HydrophobicContact CE1-CG 3.87Å; F96-P122 HydrophobicContact CG-CB 3.96Å; F96-P122 HydrophobicContact CG-CG 4.09Å; F96-Y156 WeakPolarHBondContact O-CD2 3.45Å; F96-Y156 VanDerWaalsContact O-CE2 3.25Å; F96-Y156 WeakPolarHBondContact O-CE2 3.32Å
97S85.1Confident88.9Confident21 Ų2148 Ų4815%0.14725%0.25CS..  trans-87.9164.4165.890.60000111.1Y99 D100S97-Y99 PolarHBondContact O-N 2.94Å; S97-Y99 PolarHBondContact OG-N 3.05Å; S97-Y99 VanDerWaalsContact OG-N 3.09Å; S97-D100 WeakPolarHBondContact CA-OD1 3.37Å; S97-D100 WeakPolarHBondContact CB-OD1 3.26Å; S97-D100 VanDerWaalsContact N-CG 3.27Å; S97-D100 PolarHBondContact N-OD1 3.39Å; S97-D100 PolarHBondContact N-OD2 3.45Å; S97-D100 PolarHBondContact O-N 3.19Å; S97-D100 PolarHBondContact OG-N 2.93Å; S97-D100 PolarHBondContact OG-OD1 3.47Å
98G82Confident88.9Confident19 Ų1949.6 Ų49.620%0.19626%0.257CS..THydrogen-bonded Turntrans-67.7-7.2172.600000114.8
99Y85.9Confident88.6Confident212 Ų21247.1 Ų47.183%0.83124%0.24SC*.THydrogen-bonded Turntrans-111.4-1.7179.8-54.3-67.1000113.2S97S97-Y99 PolarHBondContact O-N 2.94Å; S97-Y99 PolarHBondContact OG-N 3.05Å; S97-Y99 VanDerWaalsContact OG-N 3.09Å
100D89.4Confident88.3Confident32 Ų3252.5 Ų52.517%0.17127%0.269CS..  trans-59.2142.4178.4-74.927.2000111.1K60 F96 S97 P122K60-D100 WeakPolarHBondContact CE-OD2 3.41Å; K60-D100 IonicContact NZ-OD2 2.66Å; K60-D100 PolarHBondContact NZ-OD2 2.86Å; F96-D100 WeakPolarHBondContact CA-OD2 3.47Å; S97-D100 WeakPolarHBondContact CA-OD1 3.37Å; S97-D100 WeakPolarHBondContact CB-OD1 3.26Å; S97-D100 VanDerWaalsContact N-CG 3.27Å; S97-D100 PolarHBondContact N-OD1 3.39Å; S97-D100 PolarHBondContact N-OD2 3.45Å; S97-D100 PolarHBondContact O-N 3.19Å; S97-D100 PolarHBondContact OG-N 2.93Å; S97-D100 PolarHBondContact OG-OD1 3.47Å; D100-P122 HydrophobicContact CB-CG 3.92Å; D100-P122 WeakPolarHBondContact O-CD 3.35Å
101V91.9Very high87.8Confident75 Ų7553.4 Ų53.446%0.45529%0.289SS..  trans-127.1116.6168-172.10000108.3N119 K121V101-N119 HydrophobicContact CG1-CB 4.11Å; V101-K121 HydrophobicContact CG2-CG 4.35Å
102M93.2Very high87.5Confident0 Ų057.9 Ų57.90%032%0.317CS..EExtended strand (participates in β ladder)trans-83125.4172.1-70.8179.862.800109.2V39 K59 K60 F89 F91 F96 G104 I105 N119 Y120 P122V39-M102 HydrophobicContact CG2-SD 4.35Å; K59-M102 WeakPolarHBondContact O-CB 3.47Å; K59-M102 WeakPolarHBondContact O-CE 3.35Å; K60-M102 HydrophobicContact CB-CG 4.21Å; F89-M102 HydrophobicContact CE2-CE 4.23Å; F91-M102 HydrophobicContact CE2-CE 3.7Å; F91-M102 HydrophobicContact CE2-SD 4.35Å; F91-M102 HydrophobicContact CZ-CE 3.76Å; F96-M102 HydrophobicContact CE1-CG 4.43Å; F96-M102 HydrophobicContact CE1-SD 3.79Å; F96-M102 HydrophobicContact CZ-SD 4.13Å; M102-G104 PolarHBondContact O-N 3.17Å; M102-G104 VanDerWaalsContact O-N 3.1Å; M102-I105 HydrophobicContact CE-CD1 4.44Å; M102-I105 HydrophobicContact CE-CG1 4.04Å; M102-N119 CarbonylContact O-C 3.36Å; M102-N119 WeakPolarHBondContact O-CA 3.15Å; M102-N119 PolarHBondContact O-N 3.23Å; M102-Y120 HydrophobicContact CB-CD1 4.21Å; M102-Y120 WeakPolarHBondContact CB-O 3.42Å; M102-Y120 HydrophobicContact CG-CD1 4.27Å; M102-Y120 PolarHBondContact N-O 3.21Å; M102-Y120 PolarHBondContact O-N 3.36Å; M102-Y120 HydrophobicContact SD-CD1 3.69Å; M102-Y120 HydrophobicContact SD-CE1 4.01Å; M102-P122 HydrophobicContact CG-CG 4.45Å; M102-P122 HydrophobicContact SD-CG 4.42Å
103P93.1Very high87.9Confident38 Ų3857 Ų5725%0.24731%0.313CS..EExtended strand (participates in β ladder)trans-52.6-35.7179-30.536.3000113.6L61 N119L61-P103 HydrophobicContact CD1-CG 3.67Å; L61-P103 HydrophobicContact CG-CG 3.92Å; P103-N119 PolarHBondContact O-N 3.05Å; P103-N119 VanDerWaalsContact O-N 3.17Å
104G93.5Very high88.6Confident0 Ų052.8 Ų52.80%029%0.292CS..EExtended strand (participates in β ladder)trans176.8171.3161.500000116K59 M102 Y106 I117K59-G104 PolarHBondContact N-O 2.86Å; M102-G104 PolarHBondContact O-N 3.17Å; M102-G104 VanDerWaalsContact O-N 3.1Å; G104-Y106 WeakPolarHBondContact O-CE2 3.37Å; G104-I117 CarbonylContact C-O 3.57Å; G104-I117 WeakPolarHBondContact CA-O 3.48Å
105I96.3Very high89.5Confident0 Ų053.6 Ų53.60%029%0.293CS..EExtended strand (participates in β ladder)trans-120.9132170.6-52.2172.6000108L29 C31 V39 I56 S57 F89 M102 T116 I117 Y120L29-I105 HydrophobicContact CD2-CG2 4.18Å; C31-I105 HydrophobicContact CB-CD1 3.94Å; V39-I105 HydrophobicContact CG1-CD1 3.93Å; I56-I105 HydrophobicContact CG2-CG2 3.61Å; S57-I105 CarbonylContact O-C 3.49Å; S57-I105 WeakPolarHBondContact O-CA 3.46Å; F89-I105 HydrophobicContact CE1-CG2 4.2Å; F89-I105 HydrophobicContact CZ-CD1 4.34Å; F89-I105 HydrophobicContact CZ-CG1 4.33Å; F89-I105 HydrophobicContact CZ-CG2 4.08Å; M102-I105 HydrophobicContact CE-CD1 4.44Å; M102-I105 HydrophobicContact CE-CG1 4.04Å; I105-T116 WeakPolarHBondContact O-CA 3.47Å; I105-I117 PolarHBondContact N-O 3.35Å; I105-I117 PolarHBondContact O-N 3.04Å; I105-Y120 HydrophobicContact CD1-CD1 3.84Å; I105-Y120 HydrophobicContact CD1-CD2 3.83Å; I105-Y120 HydrophobicContact CD1-CE1 4.06Å; I105-Y120 HydrophobicContact CD1-CE2 4.04Å; I105-Y120 HydrophobicContact CD1-CG 3.71Å; I105-Y120 HydrophobicContact CG1-CG 4.4Å
106Y94.2Very high90Very high33 Ų3350.3 Ų50.313%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-125.8130.2-167.9-49.4-95.7000109.7I56 S57 K59 G104 T116I56-Y106 WeakPolarHBondContact CA-O 3.48Å; S57-Y106 PolarHBondContact N-O 3.33Å; S57-Y106 WeakPolarHBondContact O-CD2 3.32Å; S57-Y106 PolarHBondContact O-N 2.79Å; K59-Y106 HydrophobicContact CB-CE2 4.43Å; K59-Y106 HydrophobicContact CD-CE2 3.66Å; K59-Y106 HydrophobicContact CG-CE2 3.87Å; K59-Y106 PolarHBondContact NZ-OH 2.82Å; K59-Y106 VanDerWaalsContact NZ-OH 3.14Å; G104-Y106 WeakPolarHBondContact O-CE2 3.37Å; Y106-T116 HydrophobicContact CD1-CG2 3.5Å; Y106-T116 WeakPolarHBondContact CD1-OG1 3.11Å; Y106-T116 HydrophobicContact CE1-CG2 3.59Å; Y106-T116 HydrophobicContact CG-CG2 4.37Å
107L93.1Very high90.2Very high0 Ų051.9 Ų51.90%029%0.29CS..EExtended strand (participates in β ladder)trans-94.5122165.8175.164000108.4L29 W43 L48 I56 L77 V114 E115L29-L107 HydrophobicContact CD2-CB 4.33Å; W43-L107 HydrophobicContact CD2-CD2 3.88Å; W43-L107 HydrophobicContact CE3-CD2 3.6Å; W43-L107 HydrophobicContact CG-CD2 4.49Å; W43-L107 HydrophobicContact CH2-CD2 4.33Å; W43-L107 HydrophobicContact CZ3-CD2 3.87Å; L48-L107 HydrophobicContact CD1-CD2 4.45Å; I56-L107 HydrophobicContact CG1-CD1 3.74Å; L77-L107 HydrophobicContact CD2-CD1 4.38Å; L107-V114 HydrophobicContact CD2-CB 4.11Å; L107-V114 HydrophobicContact CD2-CG1 4.11Å; L107-V114 HydrophobicContact CG-CB 4.12Å; L107-V114 PolarHBondContact O-N 3.46Å; L107-E115 HydrophobicContact CB-CB 4.16Å; L107-E115 HydrophobicContact CD2-CB 4.37Å; L107-E115 PolarHBondContact N-O 2.86Å
108I91.7Very high90.7Very high51 Ų5155.5 Ų55.526%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-124.2129.8-177-54.9175.5000108.5C54 S55 T112C54-I108 CarbonylContact C-O 3.57Å; C54-I108 VanDerWaalsContact CA-O 3.28Å; C54-I108 WeakPolarHBondContact CA-O 3.29Å; S55-I108 PolarHBondContact N-O 2.83Å; S55-I108 PolarHBondContact O-N 2.04Å; I108-T112 CarbonylContact C-O 3.32Å; I108-T112 WeakPolarHBondContact CA-O 3.42Å
109C89.3Confident91.2Very high12 Ų1260 Ų608%0.08133%0.331CS..EExtended strand (participates in β ladder)trans-133128.8178.6-72.80000109.9L48 C54 G111 T112 V114L48-C109 VanDerWaalsContact CD2-SG 3.53Å; C54-C109 HydrophobicContact CB-CB 4.2Å; C54-C109 WeakPolarHBondContact CB-SG 3.21Å; C54-C109 WeakPolarHBondContact SG-CB 3.41Å; C54-C109 CovalentContact SG-SG 2.04Å; C54-C109 PolarHBondContact SG-SG 3.02Å; C109-G111 PolarHBondContact O-N 3.25Å; C109-G111 VanDerWaalsContact O-N 3.16Å; C109-T112 PolarHBondContact N-O 2.04Å; C109-T112 WeakPolarHBondContact O-CB 3.42Å; C109-T112 PolarHBondContact O-N 3.12Å; C109-V114 HydrophobicContact CB-CG2 3.75Å
110N87.9Confident91.5Very high119 Ų11950 Ų5064%0.63629%0.292SS*.THydrogen-bonded Turntrans49.339.4-176.1-59.6-42.5000112.7N53 T112N53-N110 WeakPolarHBondContact CB-OD1 3.49Å; N53-N110 PolarHBondContact ND2-OD1 2.73Å; N53-N110 PolarHBondContact O-N 2.98Å; N53-N110 VanDerWaalsContact O-N 3.14Å; N110-T112 PolarHBondContact O-N 3.43Å
111G83.6Confident91.7Very high73 Ų7352.7 Ų52.775%0.75330%0.302SS*.THydrogen-bonded Turntrans74.7-8.9-175.700000116.1C109C109-G111 PolarHBondContact O-N 3.25Å; C109-G111 VanDerWaalsContact O-N 3.16Å
112T87.4Confident91.7Very high95 Ų9549.1 Ų49.158%0.58328%0.281SS*.EExtended strand (participates in β ladder)trans-91.7132.6179.2-54.50000110.7I108 C109 N110 V114I108-T112 CarbonylContact C-O 3.32Å; I108-T112 WeakPolarHBondContact CA-O 3.42Å; C109-T112 PolarHBondContact N-O 2.04Å; C109-T112 WeakPolarHBondContact O-CB 3.42Å; C109-T112 PolarHBondContact O-N 3.12Å; N110-T112 PolarHBondContact O-N 3.43Å; T112-V114 PolarHBondContact O-N 2.88Å
113Q89.1Confident91.6Very high117 Ų11749.4 Ų49.455%0.54728%0.284SS..EExtended strand (participates in β ladder)trans-73.2119.6172.5-172.7-178.8-83.300109.7T116Q113-T116 WeakPolarHBondContact CG-OG1 3.21Å; Q113-T116 PolarHBondContact NE2-OG1 3.27Å
114V89.4Confident91.5Very high64 Ų6451.6 Ų51.639%0.38829%0.29SS..EExtended strand (participates in β ladder)trans-94.7-41.2-176.2179.40000111.8W43 L48 L107 C109 T112W43-V114 HydrophobicContact CH2-CG1 4.21Å; W43-V114 HydrophobicContact CZ2-CG1 4.46Å; L48-V114 HydrophobicContact CD1-CG1 4.42Å; L107-V114 HydrophobicContact CD2-CB 4.11Å; L107-V114 HydrophobicContact CD2-CG1 4.11Å; L107-V114 HydrophobicContact CG-CB 4.12Å; L107-V114 PolarHBondContact O-N 3.46Å; C109-V114 HydrophobicContact CB-CG2 3.75Å; T112-V114 PolarHBondContact O-N 2.88Å
115E91.4Very high91.5Very high56 Ų5654.5 Ų54.526%0.26230%0.304SS..EExtended strand (participates in β ladder)trans-152.6150.6-173.9175.875.615000108.8R28 L29 W43 L107R28-E115 WeakPolarHBondContact CA-OE1 3.21Å; L29-E115 HydrophobicContact CB-CB 4.4Å; L29-E115 HydrophobicContact CB-CG 3.49Å; L29-E115 VanDerWaalsContact CB-CG 3.49Å; L29-E115 PolarHBondContact N-OE1 3.03Å; W43-E115 HydrophobicContact CH2-CB 4.41Å; W43-E115 HydrophobicContact CZ3-CB 3.86Å; W43-E115 HydrophobicContact CZ3-CG 3.96Å; L107-E115 HydrophobicContact CB-CB 4.16Å; L107-E115 HydrophobicContact CD2-CB 4.37Å; L107-E115 PolarHBondContact N-O 2.86Å
116T93.6Very high91.4Very high40 Ų4054.5 Ų54.525%0.24530%0.304CS..EExtended strand (participates in β ladder)trans-148.9135.9179.1-65.20000112.2I105 Y106 Q113 T118I105-T116 WeakPolarHBondContact O-CA 3.47Å; Y106-T116 HydrophobicContact CD1-CG2 3.5Å; Y106-T116 WeakPolarHBondContact CD1-OG1 3.11Å; Y106-T116 HydrophobicContact CE1-CG2 3.59Å; Y106-T116 HydrophobicContact CG-CG2 4.37Å; Q113-T116 WeakPolarHBondContact CG-OG1 3.21Å; Q113-T116 PolarHBondContact NE2-OG1 3.27Å; T116-T118 HydrophobicContact CG2-CG2 4.05Å
117I94.3Very high91.5Very high32 Ų3255.7 Ų55.716%0.16431%0.31CS..EExtended strand (participates in β ladder)trans-107.5106.4170.9-52.1171000106.9L29 C31 G104 I105 Y120L29-I117 HydrophobicContact CB-CD1 4.32Å; L29-I117 HydrophobicContact CD2-CD1 4.03Å; L29-I117 HydrophobicContact CD2-CG1 4.28Å; L29-I117 HydrophobicContact CG-CD1 4.04Å; C31-I117 HydrophobicContact CB-CD1 4.27Å; G104-I117 CarbonylContact C-O 3.57Å; G104-I117 WeakPolarHBondContact CA-O 3.48Å; I105-I117 PolarHBondContact N-O 3.35Å; I105-I117 PolarHBondContact O-N 3.04Å; I117-Y120 HydrophobicContact CG2-CD2 4.2Å
118T94.3Very high91.6Very high97 Ų9756.1 Ų56.160%0.59531%0.312SS*.EExtended strand (participates in β ladder)trans-85153.917450.60000111.2T116 Y120T116-T118 HydrophobicContact CG2-CG2 4.05Å; T118-Y120 PolarHBondContact O-N 2.88Å
119N92.8Very high91.8Very high114 Ų11456 Ų5661%0.6131%0.31SS*.EExtended strand (participates in β ladder)trans51.940.2175.2-57.4-23.8000113.7V101 M102 P103 K121V101-N119 HydrophobicContact CG1-CB 4.11Å; M102-N119 CarbonylContact O-C 3.36Å; M102-N119 WeakPolarHBondContact O-CA 3.15Å; M102-N119 PolarHBondContact O-N 3.23Å; P103-N119 PolarHBondContact O-N 3.05Å; P103-N119 VanDerWaalsContact O-N 3.17Å; N119-K121 PolarHBondContact O-N 3.31Å
120Y93.4Very high92.1Very high3 Ų358 Ų581%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-66.6120.2-178.5171.4-89.1000110.1C31 N33 M102 I105 I117 T118 P122 H125C31-Y120 HydrophobicContact CB-CE2 3.94Å; N33-Y120 PolarHBondContact ND2-OH 2.92Å; M102-Y120 HydrophobicContact CB-CD1 4.21Å; M102-Y120 WeakPolarHBondContact CB-O 3.42Å; M102-Y120 HydrophobicContact CG-CD1 4.27Å; M102-Y120 PolarHBondContact N-O 3.21Å; M102-Y120 PolarHBondContact O-N 3.36Å; M102-Y120 HydrophobicContact SD-CD1 3.69Å; M102-Y120 HydrophobicContact SD-CE1 4.01Å; I105-Y120 HydrophobicContact CD1-CD1 3.84Å; I105-Y120 HydrophobicContact CD1-CD2 3.83Å; I105-Y120 HydrophobicContact CD1-CE1 4.06Å; I105-Y120 HydrophobicContact CD1-CE2 4.04Å; I105-Y120 HydrophobicContact CD1-CG 3.71Å; I105-Y120 HydrophobicContact CG1-CG 4.4Å; I117-Y120 HydrophobicContact CG2-CD2 4.2Å; T118-Y120 PolarHBondContact O-N 2.88Å; Y120-P122 HydrophobicContact CD1-CG 4.34Å; Y120-P122 HydrophobicContact CE1-CB 4.44Å; Y120-P122 HydrophobicContact CE1-CG 4.13Å; Y120-P122 WeakPolarHBondContact O-CD 3.21Å; Y120-H125 AromaticContact CD2-CD2 3.41Å; Y120-H125 VanDerWaalsContact CD2-CD2 3.41Å; Y120-H125 WeakPolarHBondContact CD2-CD2 3.46Å; Y120-H125 HydrophobicContact CE2-CB 3.62Å; Y120-H125 AromaticContact CE2-CD2 3.26Å; Y120-H125 WeakPolarHBondContact CE2-CD2 3.49Å; Y120-H125 AromaticContact CE2-CG 3.64Å; Y120-H125 WeakPolarHBondContact OH-CB 3.48Å
121K92.4Very high92.6Very high88 Ų8852.5 Ų52.538%0.38329%0.294SS..  trans-96.7113.3177.6-65.9167.6176.5174.50110V101 N119 G123 E124 H125V101-K121 HydrophobicContact CG2-CG 4.35Å; N119-K121 PolarHBondContact O-N 3.31Å; K121-G123 PolarHBondContact O-N 3.04Å; K121-E124 HydrophobicContact CB-CB 4.29Å; K121-E124 HydrophobicContact CB-CG 4.3Å; K121-E124 HydrophobicContact CD-CG 4.11Å; K121-E124 WeakPolarHBondContact CD-OE1 3.5Å; K121-E124 WeakPolarHBondContact CD-OE2 3.4Å; K121-E124 WeakPolarHBondContact CE-OE1 3.3Å; K121-E124 IonicContact NZ-OE1 3.55Å; K121-E124 PolarHBondContact NZ-OE1 2.86Å; K121-E124 IonicContact NZ-OE2 3.14Å; K121-E124 PolarHBondContact NZ-OE2 3.4Å; K121-E124 PolarHBondContact O-N 2.91Å; K121-E124 VanDerWaalsContact O-N 3.15Å; K121-H125 PolarHBondContact O-CD2 2.94Å
122P92.3Very high93.2Very high0 Ų050.1 Ų50.10%027%0.269CS..G310 helixtrans-57.6-35.3177.3-25.837.3000112.7N33 L35 F96 D100 M102 Y120 E124 H125 I126N33-P122 WeakPolarHBondContact ND2-CA 3.19Å; N33-P122 PolarHBondContact ND2-O 2.77Å; N33-P122 WeakPolarHBondContact OD1-CB 3.38Å; L35-P122 HydrophobicContact CD1-CB 4.18Å; F96-P122 HydrophobicContact CB-CB 4.01Å; F96-P122 HydrophobicContact CB-CG 4.43Å; F96-P122 HydrophobicContact CD1-CB 3.9Å; F96-P122 HydrophobicContact CD1-CG 3.49Å; F96-P122 VanDerWaalsContact CD1-CG 3.49Å; F96-P122 HydrophobicContact CE1-CG 3.87Å; F96-P122 HydrophobicContact CG-CB 3.96Å; F96-P122 HydrophobicContact CG-CG 4.09Å; D100-P122 HydrophobicContact CB-CG 3.92Å; D100-P122 WeakPolarHBondContact O-CD 3.35Å; M102-P122 HydrophobicContact CG-CG 4.45Å; M102-P122 HydrophobicContact SD-CG 4.42Å; Y120-P122 HydrophobicContact CD1-CG 4.34Å; Y120-P122 HydrophobicContact CE1-CB 4.44Å; Y120-P122 HydrophobicContact CE1-CG 4.13Å; Y120-P122 WeakPolarHBondContact O-CD 3.21Å; P122-E124 PolarHBondContact O-N 2.73Å; P122-H125 PolarHBondContact O-N 3.01Å; P122-I126 VanDerWaalsContact O-CG1 3.24Å; P122-I126 WeakPolarHBondContact O-CG1 3.43Å
123G90.8Very high93.6Very high6 Ų648.1 Ų48.16%0.06226%0.262CS..G310 helixtrans-63.7-17.6178.500000116.3K121K121-G123 PolarHBondContact O-N 3.04Å
124E90.6Very high93.9Very high83 Ų8342.6 Ų42.639%0.38824%0.237SC..G310 helixtrans-105.1-1.2179.3-67.6178.1-166.700112.9K121 P122 G211K121-E124 HydrophobicContact CB-CB 4.29Å; K121-E124 HydrophobicContact CB-CG 4.3Å; K121-E124 HydrophobicContact CD-CG 4.11Å; K121-E124 WeakPolarHBondContact CD-OE1 3.5Å; K121-E124 WeakPolarHBondContact CD-OE2 3.4Å; K121-E124 WeakPolarHBondContact CE-OE1 3.3Å; K121-E124 IonicContact NZ-OE1 3.55Å; K121-E124 PolarHBondContact NZ-OE1 2.86Å; K121-E124 IonicContact NZ-OE2 3.14Å; K121-E124 PolarHBondContact NZ-OE2 3.4Å; K121-E124 PolarHBondContact O-N 2.91Å; K121-E124 VanDerWaalsContact O-N 3.15Å; P122-E124 PolarHBondContact O-N 2.73Å; E124-G211 CarbonylContact O-C 3.58Å; E124-G211 VanDerWaalsContact O-C 3.28Å; E124-G211 VanDerWaalsContact O-CA 3.3Å; E124-G211 WeakPolarHBondContact O-CA 3.31Å
125H93.2Very high94.3Very high62 Ų6241.3 Ų41.329%0.28724%0.236SC..SBendtrans-134.837.8-172-65.4-47.3000112.6T32 N33 Y120 K121 P122T32-H125 CarbonylContact C-O 3.57Å; T32-H125 WeakPolarHBondContact CA-O 3.12Å; T32-H125 WeakPolarHBondContact CB-O 3.27Å; N33-H125 PolarHBondContact N-O 3.45Å; N33-H125 PolarHBondContact ND2-O 3.13Å; Y120-H125 AromaticContact CD2-CD2 3.41Å; Y120-H125 VanDerWaalsContact CD2-CD2 3.41Å; Y120-H125 WeakPolarHBondContact CD2-CD2 3.46Å; Y120-H125 HydrophobicContact CE2-CB 3.62Å; Y120-H125 AromaticContact CE2-CD2 3.26Å; Y120-H125 WeakPolarHBondContact CE2-CD2 3.49Å; Y120-H125 AromaticContact CE2-CG 3.64Å; Y120-H125 WeakPolarHBondContact OH-CB 3.48Å; K121-H125 PolarHBondContact O-CD2 2.94Å; P122-H125 PolarHBondContact O-N 3.01Å
126I94.6Very high94.4Very high0 Ų040.7 Ų40.70%023%0.234CC..BIsolated β-bridgetrans-78.7137.3-173.7-51.1177.1000110.5N33 L35 P122 M128 F157 P206 R209 S212 H213N33-I126 CarbonylContact O-C 3.58Å; N33-I126 VanDerWaalsContact O-CA 3.31Å; N33-I126 WeakPolarHBondContact O-CA 3.5Å; L35-I126 HydrophobicContact CB-CD1 4.4Å; L35-I126 HydrophobicContact CB-CG2 4.4Å; L35-I126 HydrophobicContact CD1-CD1 4.12Å; L35-I126 HydrophobicContact CD1-CG1 4.31Å; L35-I126 HydrophobicContact CD2-CD1 4.01Å; L35-I126 HydrophobicContact CG-CD1 4.41Å; P122-I126 VanDerWaalsContact O-CG1 3.24Å; P122-I126 WeakPolarHBondContact O-CG1 3.43Å; I126-M128 HydrophobicContact CG2-CG 4.41Å; I126-F157 HydrophobicContact CD1-CE1 3.94Å; I126-F157 HydrophobicContact CG2-CE1 4.1Å; I126-F157 HydrophobicContact CG2-CZ 3.87Å; I126-P206 HydrophobicContact CG2-CG 4.22Å; I126-R209 HydrophobicContact CD1-CB 4.01Å; I126-R209 HydrophobicContact CD1-CG 3.88Å; I126-S212 WeakPolarHBondContact O-CA 3.14Å; I126-H213 PolarHBondContact O-N 2.9Å
127K95.8Very high94.3Very high57 Ų5743.4 Ų43.425%0.24825%0.247CC..BIsolated β-bridgetrans-135.3111.1162-170.7-168.5-173.5-167.10108T32 N33 H213 D216T32-K127 HydrophobicContact CG2-CB 4.24Å; N33-K127 PolarHBondContact O-N 3.4Å; K127-H213 HydrophobicContact CB-CB 4.28Å; K127-H213 HydrophobicContact CG-CB 4.28Å; K127-D216 WeakPolarHBondContact CE-OD2 3.43Å; K127-D216 IonicContact NZ-OD1 2.67Å; K127-D216 PolarHBondContact NZ-OD1 3.01Å; K127-D216 IonicContact NZ-OD2 3.62Å; K127-D216 PolarHBondContact NZ-OD2 3.38Å
128M95.2Very high94.1Very high9 Ų946.8 Ų46.84%0.04426%0.264CS..PPolyproline II helixtrans-70156.2-179.1-69.8-17671.200112.4I126 L149 F157 F161 V204 P206 S215I126-M128 HydrophobicContact CG2-CG 4.41Å; M128-L149 HydrophobicContact CE-CD2 4.19Å; M128-F157 HydrophobicContact CE-CD2 4.34Å; M128-F157 HydrophobicContact CE-CE2 4.09Å; M128-F157 HydrophobicContact CG-CE2 4.28Å; M128-F157 HydrophobicContact CG-CZ 4.03Å; M128-F157 HydrophobicContact SD-CE2 4.32Å; M128-F157 HydrophobicContact SD-CZ 4.32Å; M128-F161 HydrophobicContact CE-CD1 3.8Å; M128-F161 HydrophobicContact CE-CE1 3.42Å; M128-F161 VanDerWaalsContact CE-CE1 3.42Å; M128-F161 HydrophobicContact CE-CZ 4.22Å; M128-F161 HydrophobicContact SD-CD1 3.69Å; M128-F161 HydrophobicContact SD-CE1 3.7Å; M128-V204 HydrophobicContact CB-CG1 3.88Å; M128-V204 HydrophobicContact CE-CG1 4.12Å; M128-V204 HydrophobicContact CE-CG2 4.46Å; M128-V204 HydrophobicContact SD-CG1 3.94Å; M128-V204 HydrophobicContact SD-CG2 4.12Å; M128-P206 HydrophobicContact SD-CB 4.18Å; M128-P206 HydrophobicContact SD-CG 4.28Å; M128-S215 WeakPolarHBondContact O-CA 3.49Å; M128-S215 WeakPolarHBondContact O-CB 3.35Å
129H95.8Very high93.8Very high50 Ų5044.8 Ų44.823%0.23125%0.252CS..PPolyproline II helixtrans-58.1144.9167-68.1-68.2000111.1D34 P152D34-H129 WeakPolarHBondContact CB-NE2 3.45Å; D34-H129 IonicContact OD2-CD2 2.66Å; D34-H129 IonicContact OD2-CE1 2.66Å; D34-H129 IonicContact OD2-NE2 3.48Å; D34-H129 PolarHBondContact OD2-NE2 2.94Å; H129-P152 PolarHBondContact CD2-O 3.37Å
130P96.7Very high93.4Very high54 Ų5443.7 Ų43.735%0.35126%0.259SS..PPolyproline II helixtrans-64.2139.5-18027.1-34.6000110.9G150 D216P130-G150 WeakPolarHBondContact O-CA 3.32Å; P130-D216 HydrophobicContact CB-CB 4.4Å; P130-D216 WeakPolarHBondContact CB-O 3.39Å
131P97.6Very high93.1Very high3 Ų349.7 Ų49.72%0.01929%0.291CS..PPolyproline II helixtrans-56.7161.1174.5-28.637.4000113.9S148 V202 V204 S215 S218P131-S148 WeakPolarHBondContact CB-O 3.18Å; P131-V202 HydrophobicContact CB-CG1 3.67Å; P131-V202 HydrophobicContact CG-CG1 4.07Å; P131-V204 HydrophobicContact CG-CB 4.02Å; P131-V204 HydrophobicContact CG-CG1 3.97Å; P131-S215 WeakPolarHBondContact CD-OG 3.49Å; P131-S218 WeakPolarHBondContact O-CA 3.36Å; P131-S218 WeakPolarHBondContact O-CB 3.37Å
132G95.6Very high93Very high23 Ų2349.1 Ų49.124%0.23729%0.289CS..PPolyproline II helixtrans-58.5158.3169.300000112.6S148 S218G132-S148 PolarHBondContact N-O 3.4Å; G132-S218 WeakPolarHBondContact O-CB 3.33Å
133A96.3Very high92.9Very high53 Ų5349.4 Ų49.444%0.43829%0.291SS..PPolyproline II helixtrans-58.4128.9173.600000109.9G135 P219A133-G135 PolarHBondContact O-N 3.37Å; A133-P219 HydrophobicContact CB-CB 4Å; A133-P219 HydrophobicContact CB-CG 4.39Å
134P96.9Very high93.1Very high1 Ų149.5 Ų49.51%0.00629%0.29CS..PPolyproline II helixtrans-59.2125-176.9-26.834.6000112.5I145 S146 V202 T221P134-I145 HydrophobicContact CB-CG2 3.94Å; P134-S146 CarbonylContact C-O 3.57Å; P134-S146 VanDerWaalsContact CA-O 3.29Å; P134-S146 WeakPolarHBondContact CA-O 3.44Å; P134-V202 HydrophobicContact CG-CB 4.45Å; P134-V202 HydrophobicContact CG-CG1 4.02Å; P134-T221 VanDerWaalsContact O-CB 3.23Å; P134-T221 WeakPolarHBondContact O-CB 3.38Å; P134-T221 VanDerWaalsContact O-CG2 3.31Å; P134-T221 WeakPolarHBondContact O-CG2 3.2Å; P134-T221 PolarHBondContact O-OG1 3.41Å
135G95.9Very high93.4Very high36 Ų3645.6 Ų45.637%0.37127%0.272SS..EExtended strand (participates in β ladder)trans-74.2137.3169.500000110.5A133 I145 S146A133-G135 PolarHBondContact O-N 3.37Å; G135-I145 CarbonylContact O-C 3.58Å; G135-I145 WeakPolarHBondContact O-CA 3.3Å; G135-S146 PolarHBondContact N-O 3.28Å; G135-S146 PolarHBondContact O-N 2.83Å
136I94.1Very high93.6Very high44 Ų4445 Ų4523%0.22628%0.275CS..EExtended strand (participates in β ladder)trans-118.2119178.9-47.6-65.9000108.6I138 T143 I145 T221 W223I136-I138 HydrophobicContact CG2-CD1 4.18Å; I136-I138 HydrophobicContact CG2-CG1 3.86Å; I136-T143 HydrophobicContact CG2-CG2 4.14Å; I136-I145 HydrophobicContact CD1-CB 4.2Å; I136-I145 HydrophobicContact CD1-CD1 4.33Å; I136-I145 HydrophobicContact CD1-CG1 3.84Å; I136-I145 HydrophobicContact CD1-CG2 3.81Å; I136-T221 HydrophobicContact CG1-CG2 3.77Å; I136-W223 HydrophobicContact CD1-CD2 4.04Å; I136-W223 HydrophobicContact CD1-CE3 3.63Å; I136-W223 HydrophobicContact CD1-CH2 4.04Å; I136-W223 HydrophobicContact CD1-CZ2 4.4Å; I136-W223 HydrophobicContact CD1-CZ3 3.65Å; I136-W223 HydrophobicContact CG1-CD2 3.97Å; I136-W223 HydrophobicContact CG1-CE3 3.72Å; I136-W223 HydrophobicContact CG1-CG 4.34Å; I136-W223 HydrophobicContact CG1-CZ3 4.25Å; I136-W223 HydrophobicContact CG2-CB 4.4Å; I136-W223 HydrophobicContact CG2-CD2 4.02Å; I136-W223 HydrophobicContact CG2-CG 3.9Å
137N92.3Very high93.7Very high96 Ų9645.6 Ų45.651%0.51328%0.277SS..EExtended strand (participates in β ladder)trans-116.3120.4173.4-174.8-7.6000109.2T143 V144N137-T143 CarbonylContact O-C 3.59Å; N137-T143 WeakPolarHBondContact O-CA 3.39Å; N137-V144 HydrophobicContact CB-CB 4.41Å; N137-V144 PolarHBondContact N-O 3.37Å; N137-V144 PolarHBondContact O-N 2.94Å
138I89.7Confident93.7Very high103 Ų10346.1 Ų46.153%0.52829%0.288SS..EExtended strand (participates in β ladder)trans-114.8111.2-175.2-50179.3000108.7I136 T143I136-I138 HydrophobicContact CG2-CD1 4.18Å; I136-I138 HydrophobicContact CG2-CG1 3.86Å; I138-T143 HydrophobicContact CG1-CG2 4.26Å
139T87.3Confident93.7Very high56 Ų5647.1 Ų47.134%0.34429%0.293SS..  trans-107.5159173.5-60.40000109.1N141 F142T139-N141 PolarHBondContact O-N 2.93Å; T139-F142 CarbonylContact C-O 3.6Å; T139-F142 WeakPolarHBondContact CA-O 3.24Å; T139-F142 HydrophobicContact CG2-CD1 4.45Å; T139-F142 HydrophobicContact CG2-CE1 3.95Å; T139-F142 HydrophobicContact CG2-CE2 4.29Å; T139-F142 HydrophobicContact CG2-CZ 3.85Å; T139-F142 PolarHBondContact N-O 3.47Å; T139-F142 PolarHBondContact O-N 2.95Å; T139-F142 WeakPolarHBondContact OG1-CE2 3.12Å
140A84.2Confident93.6Very high91 Ų9145.2 Ų45.275%0.75229%0.287SS*.SBendtrans-51.9-30.9-179.100000114.4A191A140-A191 WeakPolarHBondContact O-CB 3.49Å
141N87.3Confident93.3Very high129 Ų12949.3 Ų49.369%0.6931%0.306SS*.SBendtrans-102.3-23-176.3-60.9-5.2000113.6T139 A191T139-N141 PolarHBondContact O-N 2.93Å; N141-A191 VanDerWaalsContact C-CB 3.46Å; N141-A191 PolarHBondContact O-N 2.92Å
142F90.4Very high93.1Very high75 Ų7552.1 Ų52.133%0.32932%0.324SS..EExtended strand (participates in β ladder)trans-153152.5-172.658.3-101.3000113.2T139 V144 T189T139-F142 CarbonylContact C-O 3.6Å; T139-F142 WeakPolarHBondContact CA-O 3.24Å; T139-F142 HydrophobicContact CG2-CD1 4.45Å; T139-F142 HydrophobicContact CG2-CE1 3.95Å; T139-F142 HydrophobicContact CG2-CE2 4.29Å; T139-F142 HydrophobicContact CG2-CZ 3.85Å; T139-F142 PolarHBondContact N-O 3.47Å; T139-F142 PolarHBondContact O-N 2.95Å; T139-F142 WeakPolarHBondContact OG1-CE2 3.12Å; F142-V144 HydrophobicContact CD2-CG2 3.72Å; F142-V144 HydrophobicContact CE2-CG2 3.87Å; F142-T189 CarbonylContact C-O 3.49Å; F142-T189 WeakPolarHBondContact CA-O 3.13Å
143T91.6Very high92.9Very high6 Ų653.5 Ų53.54%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-107.6131.4163.4-590000108.9I136 N137 I138 I145 T189 L194I136-T143 HydrophobicContact CG2-CG2 4.14Å; N137-T143 CarbonylContact O-C 3.59Å; N137-T143 WeakPolarHBondContact O-CA 3.39Å; I138-T143 HydrophobicContact CG1-CG2 4.26Å; T143-I145 HydrophobicContact CG2-CG1 4.32Å; T143-T189 PolarHBondContact N-O 2.94Å; T143-T189 PolarHBondContact O-N 3.41Å; T143-L194 HydrophobicContact CG2-CD1 4.38Å
144V94.4Very high92.6Very high9 Ų951.2 Ų51.26%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-106.2131.2167.4-170.70000108.3N137 F142 E186 R188N137-V144 HydrophobicContact CB-CB 4.41Å; N137-V144 PolarHBondContact N-O 3.37Å; N137-V144 PolarHBondContact O-N 2.94Å; F142-V144 HydrophobicContact CD2-CG2 3.72Å; F142-V144 HydrophobicContact CE2-CG2 3.87Å; V144-E186 HydrophobicContact CG1-CB 4.05Å; V144-E186 WeakPolarHBondContact CG1-OE2 3.47Å; V144-R188 HydrophobicContact CG2-CG 4.34Å
145I95.9Very high92.3Very high1 Ų156.7 Ų56.71%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-112.2117.7167.9-54.3-177.6000106.1P134 G135 I136 T143 W147 L165 I167 E186 L187 L194 W223P134-I145 HydrophobicContact CB-CG2 3.94Å; G135-I145 CarbonylContact O-C 3.58Å; G135-I145 WeakPolarHBondContact O-CA 3.3Å; I136-I145 HydrophobicContact CD1-CB 4.2Å; I136-I145 HydrophobicContact CD1-CD1 4.33Å; I136-I145 HydrophobicContact CD1-CG1 3.84Å; I136-I145 HydrophobicContact CD1-CG2 3.81Å; T143-I145 HydrophobicContact CG2-CG1 4.32Å; I145-W147 HydrophobicContact CB-CZ3 4.45Å; I145-W147 HydrophobicContact CG2-CE3 4.17Å; I145-W147 HydrophobicContact CG2-CZ3 4Å; I145-W147 WeakPolarHBondContact O-CZ3 3.23Å; I145-L165 HydrophobicContact CD1-CD2 4.42Å; I145-L165 HydrophobicContact CG2-CD1 4.22Å; I145-L165 HydrophobicContact CG2-CD2 4.25Å; I145-I167 HydrophobicContact CD1-CD1 3.68Å; I145-I167 HydrophobicContact CD1-CG1 4.46Å; I145-E186 CarbonylContact O-C 3.53Å; I145-E186 WeakPolarHBondContact O-CA 3.44Å; I145-L187 PolarHBondContact N-O 3.44Å; I145-L187 PolarHBondContact O-N 3.46Å; I145-L194 HydrophobicContact CD1-CD1 4.07Å; I145-W223 HydrophobicContact CD1-CH2 3.82Å; I145-W223 HydrophobicContact CD1-CZ2 3.96Å
146S97.1Very high92Very high49 Ų4958.9 Ų58.934%0.34333%0.333SS..EExtended strand (participates in β ladder)trans-129.4157.1-177.660.80000112.6P134 G135 Q185P134-S146 CarbonylContact C-O 3.57Å; P134-S146 VanDerWaalsContact CA-O 3.29Å; P134-S146 WeakPolarHBondContact CA-O 3.44Å; G135-S146 PolarHBondContact N-O 3.28Å; G135-S146 PolarHBondContact O-N 2.83Å; S146-Q185 CarbonylContact C-O 3.55Å; S146-Q185 WeakPolarHBondContact CA-O 3.43Å
147W97.3Very high91.8Very high12 Ų1257.9 Ų57.95%0.04533%0.327CS..  trans-150.4143.9-17751.687000113I145 F163 L165 T182 E184 Q185 L187 V202I145-W147 HydrophobicContact CB-CZ3 4.45Å; I145-W147 HydrophobicContact CG2-CE3 4.17Å; I145-W147 HydrophobicContact CG2-CZ3 4Å; I145-W147 WeakPolarHBondContact O-CZ3 3.23Å; W147-F163 AromaticContact CD1-CD1 3.75Å; W147-F163 AromaticContact CD1-CE1 3.69Å; W147-F163 HydrophobicContact CZ2-CB 4.09Å; W147-F163 HydrophobicContact CZ2-CG 4.3Å; W147-F163 AromaticContact NE1-CD1 3.17Å; W147-F163 AromaticContact NE1-CD2 3.76Å; W147-F163 AromaticContact NE1-CE1 3.46Å; W147-F163 AromaticContact NE1-CG 3.33Å; W147-F163 VanDerWaalsContact NE1-CG 3.33Å; W147-F163 AromaticContact NE1-CZ 3.88Å; W147-L165 HydrophobicContact CE3-CD1 4.41Å; W147-L165 HydrophobicContact CH2-CB 4.43Å; W147-L165 HydrophobicContact CH2-CD2 4.21Å; W147-L165 HydrophobicContact CZ3-CD1 4.11Å; W147-L165 HydrophobicContact CZ3-CD2 3.95Å; W147-L165 HydrophobicContact CZ3-CG 4.47Å; W147-T182 HydrophobicContact CH2-CG2 4.01Å; W147-T182 HydrophobicContact CZ2-CG2 3.75Å; W147-E184 WeakPolarHBondContact CZ2-O 3.32Å; W147-Q185 PolarHBondContact N-O 3Å; W147-Q185 PolarHBondContact O-NE2 3.32Å; W147-L187 HydrophobicContact CH2-CB 4.26Å; W147-L187 HydrophobicContact CZ3-CB 4.35Å; W147-V202 HydrophobicContact CB-CG1 3.86Å; W147-V202 HydrophobicContact CD2-CB 4.38Å; W147-V202 HydrophobicContact CD2-CG1 4.15Å; W147-V202 HydrophobicContact CD2-CG2 3.97Å; W147-V202 HydrophobicContact CG-CB 4.47Å; W147-V202 HydrophobicContact CG-CG1 3.76Å; W147-V202 HydrophobicContact CG-CG2 4.22Å; W147-V202 HydrophobicContact CZ2-CG2 4.25Å
148S95.4Very high91.6Very high68 Ų6859.1 Ų59.148%0.47634%0.338SS..PPolyproline II helixtrans-82.5160.1168.368.70000110.9P131 G132P131-S148 WeakPolarHBondContact CB-O 3.18Å; G132-S148 PolarHBondContact N-O 3.4Å
149L96.1Very high91.6Very high31 Ų3157.6 Ų57.616%0.16234%0.337CS..PPolyproline II helixtrans-61.8162.7157.8-67.2169.1000110.2M128 V153 F161 F163 V204M128-L149 HydrophobicContact CE-CD2 4.19Å; L149-V153 HydrophobicContact CB-CG2 3.77Å; L149-V153 HydrophobicContact CD1-CG1 4.21Å; L149-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; L149-F161 HydrophobicContact CD1-CD2 4.05Å; L149-F161 HydrophobicContact CD1-CE2 3.57Å; L149-F161 HydrophobicContact CD1-CZ 3.96Å; L149-F161 HydrophobicContact CD2-CD1 4.41Å; L149-F161 HydrophobicContact CD2-CD2 4.08Å; L149-F161 HydrophobicContact CD2-CE2 4.29Å; L149-F161 HydrophobicContact CD2-CG 4.15Å; L149-F163 HydrophobicContact CD2-CE1 3.85Å; L149-F163 HydrophobicContact CD2-CZ 3.76Å; L149-V204 HydrophobicContact CD2-CG2 4.02Å
150G94Very high91.8Very high10 Ų1056.3 Ų56.310%0.10334%0.335CS..PPolyproline II helixtrans-90.7127.3169.100000110P130 V153P130-G150 WeakPolarHBondContact O-CA 3.32Å; G150-V153 WeakPolarHBondContact O-CG2 3.49Å
151D90.8Very high92.4Very high139 Ų13953.4 Ų53.474%0.74331%0.305SS*.SBendtrans-80.2148.9175.9-74.4-57.1000112.2
152P91.9Very high92.8Very high62 Ų6249.5 Ų49.540%0.40328%0.284SS..SBendcis-79.4143.6-3.631.8-37000113.7V36 H129V36-P152 HydrophobicContact CB-CG 4.27Å; V36-P152 HydrophobicContact CG1-CB 4.27Å; V36-P152 HydrophobicContact CG1-CG 4.13Å; V36-P152 HydrophobicContact CG2-CB 4.12Å; V36-P152 HydrophobicContact CG2-CG 4.04Å; H129-P152 PolarHBondContact CD2-O 3.37Å
153V91.8Very high93.2Very high52 Ų5246 Ų4632%0.31527%0.269SS..PPolyproline II helixtrans-100.1134.5173.1-174.90000110.8L149 G150 F157 F161L149-V153 HydrophobicContact CB-CG2 3.77Å; L149-V153 HydrophobicContact CD1-CG1 4.21Å; L149-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; G150-V153 WeakPolarHBondContact O-CG2 3.49Å; V153-F157 HydrophobicContact CG1-CD2 3.96Å; V153-F161 HydrophobicContact CG1-CZ 4.13Å
154S90.9Very high93.5Very high5 Ų547.1 Ų47.14%0.03527%0.274CS..PPolyproline II helixtrans-76.9135.5176.8-168.20000112.7L35 Y156 F157L35-S154 WeakPolarHBondContact O-CB 3.46Å; L35-S154 PolarHBondContact O-OG 3.21Å; S154-Y156 PolarHBondContact O-N 2.99Å; S154-Y156 VanDerWaalsContact O-N 3.15Å; S154-F157 WeakPolarHBondContact O-CD2 3.4Å; S154-F157 PolarHBondContact O-N 2.9Å
155M89.8Confident93.6Very high117 Ų11746.7 Ų46.758%0.57627%0.271SS*.THydrogen-bonded Turntrans-67.5-10.7177.370-159.5-165.800113.8K95 F157K95-M155 HydrophobicContact CD-CE 4.28Å; K95-M155 HydrophobicContact CD-SD 4.07Å; M155-F157 VanDerWaalsContact C-N 3.3Å; M155-F157 PolarHBondContact O-N 2.87Å
156Y89Confident93.7Very high81 Ų8147.4 Ų47.432%0.31828%0.275SS..THydrogen-bonded Turntrans-86.37.2177.7-57.8-68.2000113.8K95 F96 S154 T158 R209K95-Y156 HydrophobicContact CB-CE2 4.35Å; F96-Y156 WeakPolarHBondContact O-CD2 3.45Å; F96-Y156 VanDerWaalsContact O-CE2 3.25Å; F96-Y156 WeakPolarHBondContact O-CE2 3.32Å; S154-Y156 PolarHBondContact O-N 2.99Å; S154-Y156 VanDerWaalsContact O-N 3.15Å; Y156-T158 PolarHBondContact O-N 3.1Å; Y156-R209 PolarHBondContact O-NH2 3.02Å
157F90.3Very high93.6Very high23 Ų2345.4 Ų45.410%0.10126%0.26CS..  trans-8973.6172.2-64.2-52.1000111.8L35 I126 M128 V153 S154 M155 F161 P206L35-F157 HydrophobicContact CB-CE1 4.39Å; L35-F157 HydrophobicContact CB-CE2 4.49Å; L35-F157 HydrophobicContact CB-CZ 3.84Å; L35-F157 HydrophobicContact CD2-CD1 4.36Å; L35-F157 HydrophobicContact CD2-CE1 3.86Å; L35-F157 HydrophobicContact CD2-CZ 4.07Å; I126-F157 HydrophobicContact CD1-CE1 3.94Å; I126-F157 HydrophobicContact CG2-CE1 4.1Å; I126-F157 HydrophobicContact CG2-CZ 3.87Å; M128-F157 HydrophobicContact CE-CD2 4.34Å; M128-F157 HydrophobicContact CE-CE2 4.09Å; M128-F157 HydrophobicContact CG-CE2 4.28Å; M128-F157 HydrophobicContact CG-CZ 4.03Å; M128-F157 HydrophobicContact SD-CE2 4.32Å; M128-F157 HydrophobicContact SD-CZ 4.32Å; V153-F157 HydrophobicContact CG1-CD2 3.96Å; S154-F157 WeakPolarHBondContact O-CD2 3.4Å; S154-F157 PolarHBondContact O-N 2.9Å; M155-F157 VanDerWaalsContact C-N 3.3Å; M155-F157 PolarHBondContact O-N 2.87Å; F157-F161 HydrophobicContact CB-CE1 3.66Å; F157-F161 HydrophobicContact CB-CZ 3.56Å; F157-F161 HydrophobicContact CD1-CE1 4.37Å; F157-F161 AromaticContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CZ 4.12Å; F157-F161 AromaticContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CZ 4.05Å; F157-P206 HydrophobicContact CD1-CB 3.57Å; F157-P206 HydrophobicContact CD1-CG 4.34Å; F157-P206 HydrophobicContact CE1-CB 3.56Å; F157-P206 HydrophobicContact CE1-CG 3.81Å; F157-P206 HydrophobicContact CZ-CB 4.48Å
158T87.6Confident93.4Very high122 Ų12245.4 Ų45.475%0.74826%0.26SS*.  trans-84.6-22-176.352.60000114.7Y156Y156-T158 PolarHBondContact O-N 3.1Å
159S89.7Confident93.3Very high71 Ų7146.7 Ų46.750%0.49726%0.259SS..SBendtrans-87.41.9-174.9-50.20000114.9V207S159-V207 WeakPolarHBondContact O-CB 3.38Å
160G93.2Very high93.1Very high29 Ų2951.1 Ų51.130%0.29927%0.273SS..  trans80.8-165.7-174.100000114.1V207G160-V207 WeakPolarHBondContact O-CB 3.38Å; G160-V207 PolarHBondContact O-N 2.92Å
161F96.1Very high92.8Very high31 Ų3157.5 Ų57.514%0.13630%0.301CS..EExtended strand (participates in β ladder)trans-135.1139.6-168.7-54.4-76.5000111.8M128 L149 V153 F157 F163 V204 P206M128-F161 HydrophobicContact CE-CD1 3.8Å; M128-F161 HydrophobicContact CE-CE1 3.42Å; M128-F161 VanDerWaalsContact CE-CE1 3.42Å; M128-F161 HydrophobicContact CE-CZ 4.22Å; M128-F161 HydrophobicContact SD-CD1 3.69Å; M128-F161 HydrophobicContact SD-CE1 3.7Å; L149-F161 HydrophobicContact CD1-CD2 4.05Å; L149-F161 HydrophobicContact CD1-CE2 3.57Å; L149-F161 HydrophobicContact CD1-CZ 3.96Å; L149-F161 HydrophobicContact CD2-CD1 4.41Å; L149-F161 HydrophobicContact CD2-CD2 4.08Å; L149-F161 HydrophobicContact CD2-CE2 4.29Å; L149-F161 HydrophobicContact CD2-CG 4.15Å; V153-F161 HydrophobicContact CG1-CZ 4.13Å; F157-F161 HydrophobicContact CB-CE1 3.66Å; F157-F161 HydrophobicContact CB-CZ 3.56Å; F157-F161 HydrophobicContact CD1-CE1 4.37Å; F157-F161 AromaticContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CZ 4.12Å; F157-F161 AromaticContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CZ 4.05Å; F161-F163 HydrophobicContact CB-CE2 3.95Å; F161-F163 HydrophobicContact CB-CZ 3.97Å; F161-V204 HydrophobicContact CB-CG2 3.71Å; F161-V204 HydrophobicContact CD1-CG2 4.05Å; F161-V204 HydrophobicContact CG-CG2 4.12Å; F161-P206 HydrophobicContact CD1-CB 4.43Å
162D96.5Very high92.9Very high46 Ų4654.5 Ų54.525%0.24628%0.282CS..EExtended strand (participates in β ladder)trans-94.2125.9165.4-73.2-47.4000108.4R183 V204 N205 W214D162-R183 WeakPolarHBondContact OD1-CG 3.5Å; D162-R183 IonicContact OD1-CZ 3.8Å; D162-R183 IonicContact OD1-NE 2.7Å; D162-R183 PolarHBondContact OD1-NE 3.04Å; D162-R183 IonicContact OD1-NH2 2.94Å; D162-R183 PolarHBondContact OD1-NH2 2.81Å; D162-R183 VanDerWaalsContact OD1-NH2 3.14Å; D162-R183 IonicContact OD2-NH2 2.76Å; D162-R183 PolarHBondContact OD2-NH2 3.24Å; D162-V204 WeakPolarHBondContact O-CA 3.35Å; D162-N205 PolarHBondContact N-O 3.07Å; D162-N205 PolarHBondContact O-N 3.34Å; D162-W214 HydrophobicContact CB-CH2 4.2Å; D162-W214 VanDerWaalsContact O-CZ3 3.28Å; D162-W214 WeakPolarHBondContact O-CZ3 3.34Å
163F97.6Very high92.9Very high2 Ų257.5 Ų57.51%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-105.8146.2175.2-62.5-80.6000111W147 L149 F161 S181 T182 E184 Q185 V202 R203 V204W147-F163 AromaticContact CD1-CD1 3.75Å; W147-F163 AromaticContact CD1-CE1 3.69Å; W147-F163 HydrophobicContact CZ2-CB 4.09Å; W147-F163 HydrophobicContact CZ2-CG 4.3Å; W147-F163 AromaticContact NE1-CD1 3.17Å; W147-F163 AromaticContact NE1-CD2 3.76Å; W147-F163 AromaticContact NE1-CE1 3.46Å; W147-F163 AromaticContact NE1-CG 3.33Å; W147-F163 VanDerWaalsContact NE1-CG 3.33Å; W147-F163 AromaticContact NE1-CZ 3.88Å; L149-F163 HydrophobicContact CD2-CE1 3.85Å; L149-F163 HydrophobicContact CD2-CZ 3.76Å; F161-F163 HydrophobicContact CB-CE2 3.95Å; F161-F163 HydrophobicContact CB-CZ 3.97Å; F163-S181 WeakPolarHBondContact O-CA 3.33Å; F163-T182 WeakPolarHBondContact CA-O 3.34Å; F163-T182 HydrophobicContact CB-CG2 4.3Å; F163-T182 WeakPolarHBondContact CB-O 3.48Å; F163-T182 PolarHBondContact N-O 3Å; F163-T182 PolarHBondContact O-N 2.66Å; F163-E184 WeakPolarHBondContact CD2-O 3.48Å; F163-Q185 HydrophobicContact CE2-CG 3.64Å; F163-Q185 HydrophobicContact CZ-CG 3.6Å; F163-V202 HydrophobicContact CB-CG2 4.24Å; F163-V202 HydrophobicContact CD1-CG2 4.37Å; F163-R203 WeakPolarHBondContact CA-O 3.26Å; F163-V204 HydrophobicContact CD1-CB 3.82Å; F163-V204 HydrophobicContact CD1-CG2 3.73Å; F163-V204 HydrophobicContact CE1-CB 3.81Å; F163-V204 HydrophobicContact CE1-CG2 3.46Å; F163-V204 VanDerWaalsContact CE1-CG2 3.46Å; F163-V204 HydrophobicContact CZ-CG2 4.07Å
164Q97.8Very high93Very high29 Ų2958 Ų5814%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-124.3111.5168.1-179.7169.579.800109.7I180 V202 R203 W214 W217Q164-I180 WeakPolarHBondContact CA-O 3.37Å; Q164-V202 WeakPolarHBondContact O-CA 3.39Å; Q164-V202 WeakPolarHBondContact O-CG2 3.24Å; Q164-R203 HydrophobicContact CB-CG 4.12Å; Q164-R203 PolarHBondContact N-O 2.97Å; Q164-R203 PolarHBondContact O-N 2.83Å; Q164-W214 HydrophobicContact CB-CE3 4.36Å; Q164-W214 HydrophobicContact CB-CH2 3.78Å; Q164-W214 HydrophobicContact CB-CZ2 4.44Å; Q164-W214 HydrophobicContact CB-CZ3 3.72Å; Q164-W217 HydrophobicContact CG-CH2 4.19Å; Q164-W217 WeakPolarHBondContact O-CZ3 3.46Å
165L97.3Very high93Very high0 Ų066.1 Ų66.10%032%0.322CS..EExtended strand (participates in β ladder)trans-91.9133.8173.6-178.670000109.5I145 W147 I167 N179 I180 L187 A200 V202I145-L165 HydrophobicContact CD1-CD2 4.42Å; I145-L165 HydrophobicContact CG2-CD1 4.22Å; I145-L165 HydrophobicContact CG2-CD2 4.25Å; W147-L165 HydrophobicContact CE3-CD1 4.41Å; W147-L165 HydrophobicContact CH2-CB 4.43Å; W147-L165 HydrophobicContact CH2-CD2 4.21Å; W147-L165 HydrophobicContact CZ3-CD1 4.11Å; W147-L165 HydrophobicContact CZ3-CD2 3.95Å; W147-L165 HydrophobicContact CZ3-CG 4.47Å; L165-I167 HydrophobicContact CD2-CD1 3.94Å; L165-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CG-CG1 4.08Å; L165-N179 CarbonylContact O-C 3.57Å; L165-I180 HydrophobicContact CB-CB 4.46Å; L165-I180 PolarHBondContact N-O 3.48Å; L165-I180 PolarHBondContact O-N 3.29Å; L165-L187 HydrophobicContact CD2-CB 4.23Å; L165-L187 HydrophobicContact CD2-CD2 3.65Å; L165-A200 HydrophobicContact CD1-CB 4.28Å; L165-V202 HydrophobicContact CB-CG2 4.37Å; L165-V202 HydrophobicContact CD1-CB 4Å; L165-V202 HydrophobicContact CD1-CG2 4.44Å
166Q96.9Very high93.1Very high17 Ų1764.7 Ų64.78%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-110.4131.8166.7-76.4-168.2-35.200109.9W174 S177 N179 A200 R201 W217Q166-W174 HydrophobicContact CB-CE3 4.14Å; Q166-W174 HydrophobicContact CB-CZ3 3.94Å; Q166-S177 PolarHBondContact NE2-OG 3.06Å; Q166-N179 VanDerWaalsContact CG-OD1 3.3Å; Q166-N179 WeakPolarHBondContact CG-OD1 3.31Å; Q166-N179 PolarHBondContact NE2-OD1 3.31Å; Q166-A200 WeakPolarHBondContact O-CA 3.42Å; Q166-A200 VanDerWaalsContact O-CB 3.31Å; Q166-A200 WeakPolarHBondContact O-CB 3.47Å; Q166-R201 HydrophobicContact CB-CG 4.15Å; Q166-R201 PolarHBondContact N-O 2.93Å; Q166-R201 PolarHBondContact O-N 2.92Å; Q166-R201 VanDerWaalsContact O-N 3.11Å; Q166-R201 VanDerWaalsContact OE1-CZ 3.29Å; Q166-W217 HydrophobicContact CB-CH2 4.4Å; Q166-W217 HydrophobicContact CB-CZ3 4.22Å; Q166-W217 HydrophobicContact CG-CH2 3.45Å; Q166-W217 VanDerWaalsContact CG-CH2 3.45Å; Q166-W217 HydrophobicContact CG-CZ2 4.23Å; Q166-W217 HydrophobicContact CG-CZ3 3.73Å
167I95.1Very high93.2Very high7 Ų761.5 Ų61.54%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-124.7132171.7-49.6175.3000108.8I145 L165 R178 I180 L187 L194 L198 D199 A200 W223I145-I167 HydrophobicContact CD1-CD1 3.68Å; I145-I167 HydrophobicContact CD1-CG1 4.46Å; L165-I167 HydrophobicContact CD2-CD1 3.94Å; L165-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CG-CG1 4.08Å; I167-R178 PolarHBondContact N-O 2.94Å; I167-R178 PolarHBondContact O-N 3.48Å; I167-I180 HydrophobicContact CD1-CD1 4.12Å; I167-L187 HydrophobicContact CD1-CD2 4.3Å; I167-L194 HydrophobicContact CD1-CD2 4.31Å; I167-L194 HydrophobicContact CG2-CD2 4.41Å; I167-L198 HydrophobicContact CG2-CD2 4.5Å; I167-D199 WeakPolarHBondContact CA-O 3.3Å; I167-A200 HydrophobicContact CG1-CB 4.11Å; I167-W223 HydrophobicContact CG2-CH2 3.99Å; I167-W223 HydrophobicContact CG2-CZ2 4.45Å
168K94.7Very high93.3Very high12 Ų1266.8 Ų66.85%0.05233%0.325CS..EExtended strand (participates in β ladder)trans-138.2163173.266173.2-164.572.50111.6R170 Q172 W174 L198 D199K168-R170 PolarHBondContact NZ-O 3.43Å; K168-Q172 HydrophobicContact CB-CB 4.24Å; K168-Q172 WeakPolarHBondContact CD-O 3.39Å; K168-Q172 WeakPolarHBondContact CE-O 3.49Å; K168-Q172 PolarHBondContact NZ-O 3.39Å; K168-W174 HydrophobicContact CD-CD2 3.66Å; K168-W174 HydrophobicContact CD-CE3 3.63Å; K168-W174 HydrophobicContact CD-CG 4.23Å; K168-W174 HydrophobicContact CD-CH2 4.13Å; K168-W174 HydrophobicContact CD-CZ2 4.19Å; K168-W174 HydrophobicContact CD-CZ3 3.86Å; K168-W174 VanDerWaalsContact CE-CE2 3.42Å; K168-W174 HydrophobicContact CG-CE3 4.02Å; K168-W174 HydrophobicContact CG-CH2 4.08Å; K168-W174 HydrophobicContact CG-CZ3 3.78Å; K168-L198 CarbonylContact O-C 3.45Å; K168-L198 VanDerWaalsContact O-CA 3.27Å; K168-L198 WeakPolarHBondContact O-CA 3.13Å; K168-L198 WeakPolarHBondContact O-CD2 3.36Å; K168-D199 WeakPolarHBondContact CE-OD2 3.19Å; K168-D199 HydrophobicContact CG-CB 4.1Å; K168-D199 PolarHBondContact N-O 2.79Å; K168-D199 IonicContact NZ-OD2 3.16Å; K168-D199 PolarHBondContact NZ-OD2 2.66Å; K168-D199 PolarHBondContact O-N 3.36Å
169Q93.3Very high93.7Very high94 Ų9465.3 Ų65.344%0.43931%0.313SS..EExtended strand (participates in β ladder)trans-69.4151.3160.2-60.2-179.91.200110.1Q171 Q172 R197 L198Q169-Q171 PolarHBondContact O-N 3.29Å; Q169-Q172 HydrophobicContact CB-CB 4.47Å; Q169-Q172 HydrophobicContact CB-CG 4.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.36Å; Q169-Q172 PolarHBondContact O-N 3.49Å; Q169-R197 CarbonylContact C-O 3.59Å; Q169-R197 WeakPolarHBondContact CA-O 3.1Å; Q169-L198 HydrophobicContact CG-CD2 4.01Å
170R89.9Confident93.9Very high124 Ų12463.1 Ų63.147%0.46830%0.295SS..THydrogen-bonded Turntrans-57.8-37.4-175.6-174.9173.4-77.3-179.4-9.9113.1K168 R197 D199 S222K168-R170 PolarHBondContact NZ-O 3.43Å; R170-R197 HydrophobicContact CB-CB 4.26Å; R170-R197 PolarHBondContact N-O 2.83Å; R170-D199 WeakPolarHBondContact CA-OD2 3.45Å; R170-D199 IonicContact NE-OD1 2.74Å; R170-D199 PolarHBondContact NE-OD1 2.68Å; R170-S222 PolarHBondContact NH2-OG 2.72Å
171Q88.5Confident94Very high145 Ų14566 Ų6668%0.67831%0.311SS*.THydrogen-bonded Turntrans-77.8-14.4179.3-61.984-13.500114.2Q169Q169-Q171 PolarHBondContact O-N 3.29Å
172Q92.1Very high94Very high75 Ų7566.1 Ų66.135%0.3531%0.314SS..SBendtrans-80.2156.1178.1-72.9170.6-27.500111.6K168 Q169K168-Q172 HydrophobicContact CB-CB 4.24Å; K168-Q172 WeakPolarHBondContact CD-O 3.39Å; K168-Q172 WeakPolarHBondContact CE-O 3.49Å; K168-Q172 PolarHBondContact NZ-O 3.39Å; Q169-Q172 HydrophobicContact CB-CB 4.47Å; Q169-Q172 HydrophobicContact CB-CG 4.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.36Å; Q169-Q172 PolarHBondContact O-N 3.49Å
173Q92.9Very high93.9Very high126 Ų12671.5 Ų71.559%0.58933%0.331SS*.  trans-84153170.7-66.6-67.7-12.200110.9K175 D176Q173-K175 HydrophobicContact CB-CG 3.86Å; Q173-K175 PolarHBondContact O-N 3.38Å; Q173-D176 PolarHBondContact O-N 3.35Å
174W93.4Very high93.8Very high61 Ų6177.3 Ų77.323%0.23136%0.358CS..G310 helixtrans-63.1-25179.9-71.6112000114.2Q166 K168 D176 S177 D199 R201 T220Q166-W174 HydrophobicContact CB-CE3 4.14Å; Q166-W174 HydrophobicContact CB-CZ3 3.94Å; K168-W174 HydrophobicContact CD-CD2 3.66Å; K168-W174 HydrophobicContact CD-CE3 3.63Å; K168-W174 HydrophobicContact CD-CG 4.23Å; K168-W174 HydrophobicContact CD-CH2 4.13Å; K168-W174 HydrophobicContact CD-CZ2 4.19Å; K168-W174 HydrophobicContact CD-CZ3 3.86Å; K168-W174 VanDerWaalsContact CE-CE2 3.42Å; K168-W174 HydrophobicContact CG-CE3 4.02Å; K168-W174 HydrophobicContact CG-CH2 4.08Å; K168-W174 HydrophobicContact CG-CZ3 3.78Å; W174-D176 PolarHBondContact O-N 2.97Å; W174-S177 WeakPolarHBondContact O-CB 3.33Å; W174-S177 PolarHBondContact O-N 3.31Å; W174-S177 PolarHBondContact O-OG 3.4Å; W174-D199 HydrophobicContact CH2-CB 4Å; W174-D199 HydrophobicContact CZ2-CB 4.35Å; W174-R201 VanDerWaalsContact CD2-CZ 3.46Å; W174-R201 HydrophobicContact CE3-CG 4.33Å; W174-R201 HydrophobicContact CH2-CB 4.36Å; W174-R201 HydrophobicContact CH2-CG 3.7Å; W174-R201 HydrophobicContact CZ2-CG 4.31Å; W174-R201 HydrophobicContact CZ3-CG 3.71Å; W174-T220 HydrophobicContact CH2-CG2 3.96Å; W174-T220 HydrophobicContact CZ2-CG2 3.83Å
175K91.6Very high93.7Very high176 Ų17680.2 Ų80.277%0.76537%0.372SS*.G310 helixtrans-65-26.7174.157.4150.5-166.5156.40113.4Q173Q173-K175 HydrophobicContact CB-CG 3.86Å; Q173-K175 PolarHBondContact O-N 3.38Å
176D91.1Very high93.6Very high88 Ų8883 Ų8347%0.47138%0.384SS..G310 helixtrans-102.514.9-178.2-41.2-58000111.1Q173 W174Q173-D176 PolarHBondContact O-N 3.35Å; W174-D176 PolarHBondContact O-N 2.97Å
177S92.4Very high93.5Very high14 Ų1483.6 Ų83.610%0.09839%0.388CS..SBendtrans-80.8153.6-177.1700000113Q166 W174 N179Q166-S177 PolarHBondContact NE2-OG 3.06Å; W174-S177 WeakPolarHBondContact O-CB 3.33Å; W174-S177 PolarHBondContact O-N 3.31Å; W174-S177 PolarHBondContact O-OG 3.4Å; S177-N179 PolarHBondContact O-N 2.98Å
178R92.3Very high93.4Very high133 Ų13390 Ų9050%0.50241%0.412SS..EExtended strand (participates in β ladder)trans-77.7107.4173.6-176.2179.6175.1-149.1-7.1109.3I167 I180I167-R178 PolarHBondContact N-O 2.94Å; I167-R178 PolarHBondContact O-N 3.48Å; R178-I180 HydrophobicContact CG-CG1 4.22Å
179N94.5Very high93.3Very high91 Ų9190.3 Ų90.349%0.48742%0.415SS..EExtended strand (participates in β ladder)trans-76.4137.7168.9-58.3-34.1000110.1L165 Q166 S177L165-N179 CarbonylContact O-C 3.57Å; Q166-N179 VanDerWaalsContact CG-OD1 3.3Å; Q166-N179 WeakPolarHBondContact CG-OD1 3.31Å; Q166-N179 PolarHBondContact NE2-OD1 3.31Å; S177-N179 PolarHBondContact O-N 2.98Å
180I95.1Very high93Very high26 Ų2691.5 Ų91.513%0.13342%0.42CS..EExtended strand (participates in β ladder)trans-135.7122.2172-56.5175.5000107.2Q164 L165 I167 R178 L187Q164-I180 WeakPolarHBondContact CA-O 3.37Å; L165-I180 HydrophobicContact CB-CB 4.46Å; L165-I180 PolarHBondContact N-O 3.48Å; L165-I180 PolarHBondContact O-N 3.29Å; I167-I180 HydrophobicContact CD1-CD1 4.12Å; R178-I180 HydrophobicContact CG-CG1 4.22Å; I180-L187 HydrophobicContact CD1-CD2 3.49Å; I180-L187 VanDerWaalsContact CD1-CD2 3.49Å
181S95.6Very high92.3Very high89 Ų8987.7 Ų87.762%0.62242%0.415SS*.EExtended strand (participates in β ladder)trans-98.3137.2172.7-57.50000109.7F163F163-S181 WeakPolarHBondContact O-CA 3.33Å
182T95.6Very high91.4Very high33 Ų3382.8 Ų82.820%0.20240%0.404CS..EExtended strand (participates in β ladder)trans-153.8163.4177.9-176.50000110.7W147 F163 E184W147-T182 HydrophobicContact CH2-CG2 4.01Å; W147-T182 HydrophobicContact CZ2-CG2 3.75Å; F163-T182 WeakPolarHBondContact CA-O 3.34Å; F163-T182 HydrophobicContact CB-CG2 4.3Å; F163-T182 WeakPolarHBondContact CB-O 3.48Å; F163-T182 PolarHBondContact N-O 3Å; F163-T182 PolarHBondContact O-N 2.66Å; T182-E184 WeakPolarHBondContact CG2-O 3.47Å; T182-E184 PolarHBondContact OG1-N 3.4Å; T182-E184 VanDerWaalsContact OG1-N 3.11Å
183R95.1Very high91Very high160 Ų16084.6 Ų84.660%0.60441%0.411SS*.SBendtrans-102.1-11.3168-67.7-173.5170.2175.5-4.6113D162D162-R183 WeakPolarHBondContact OD1-CG 3.5Å; D162-R183 IonicContact OD1-CZ 3.8Å; D162-R183 IonicContact OD1-NE 2.7Å; D162-R183 PolarHBondContact OD1-NE 3.04Å; D162-R183 IonicContact OD1-NH2 2.94Å; D162-R183 PolarHBondContact OD1-NH2 2.81Å; D162-R183 VanDerWaalsContact OD1-NH2 3.14Å; D162-R183 IonicContact OD2-NH2 2.76Å; D162-R183 PolarHBondContact OD2-NH2 3.24Å
184E95Very high90.6Very high124 Ų12480 Ų8058%0.57939%0.39SS*.SBendtrans-75.1148.4175.1-65.4169.9-170.200110.1W147 F163 T182 E186W147-E184 WeakPolarHBondContact CZ2-O 3.32Å; F163-E184 WeakPolarHBondContact CD2-O 3.48Å; T182-E184 WeakPolarHBondContact CG2-O 3.47Å; T182-E184 PolarHBondContact OG1-N 3.4Å; T182-E184 VanDerWaalsContact OG1-N 3.11Å; E184-E186 WeakPolarHBondContact CB-O 3.45Å; E184-E186 PolarHBondContact O-N 3.44Å
185Q95.2Very high90Very high90 Ų9084.6 Ų84.642%0.42141%0.411SS..SBendtrans-84.68172.5-78.3-173.9-111.800113.3S146 W147 F163S146-Q185 CarbonylContact C-O 3.55Å; S146-Q185 WeakPolarHBondContact CA-O 3.43Å; W147-Q185 PolarHBondContact N-O 3Å; W147-Q185 PolarHBondContact O-NE2 3.32Å; F163-Q185 HydrophobicContact CE2-CG 3.64Å; F163-Q185 HydrophobicContact CZ-CG 3.6Å
186E95.8Very high89.7Confident57 Ų5778.3 Ų78.327%0.26640%0.397SS..EExtended strand (participates in β ladder)trans-139.4162170.459.3171-149.700111.7V144 I145 E184 R188V144-E186 HydrophobicContact CG1-CB 4.05Å; V144-E186 WeakPolarHBondContact CG1-OE2 3.47Å; I145-E186 CarbonylContact O-C 3.53Å; I145-E186 WeakPolarHBondContact O-CA 3.44Å; E184-E186 WeakPolarHBondContact CB-O 3.45Å; E184-E186 PolarHBondContact O-N 3.44Å; E186-R188 VanDerWaalsContact CD-NH2 3.27Å; E186-R188 IonicContact OE1-CZ 2.69Å; E186-R188 IonicContact OE1-NE 3.48Å; E186-R188 PolarHBondContact OE1-NE 2.96Å; E186-R188 IonicContact OE1-NH2 3.98Å; E186-R188 PolarHBondContact OE1-NH2 2.97Å; E186-R188 IonicContact OE2-CZ 3.94Å; E186-R188 IonicContact OE2-NE 2.78Å; E186-R188 IonicContact OE2-NH2 3.15Å; E186-R188 PolarHBondContact OE2-NH2 3.36Å
187L94.9Very high89.7Confident31 Ų3181 Ų8116%0.16240%0.4CS..EExtended strand (participates in β ladder)trans-126.4115.5166.3173.266000107.7I145 W147 L165 I167 I180I145-L187 PolarHBondContact N-O 3.44Å; I145-L187 PolarHBondContact O-N 3.46Å; W147-L187 HydrophobicContact CH2-CB 4.26Å; W147-L187 HydrophobicContact CZ3-CB 4.35Å; L165-L187 HydrophobicContact CD2-CB 4.23Å; L165-L187 HydrophobicContact CD2-CD2 3.65Å; I167-L187 HydrophobicContact CD1-CD2 4.3Å; I180-L187 HydrophobicContact CD1-CD2 3.49Å; I180-L187 VanDerWaalsContact CD1-CD2 3.49Å
188R93.5Very high89.8Confident140 Ų14080.8 Ų80.853%0.52840%0.398SS..EExtended strand (participates in β ladder)trans-86145.4168-58.6-166.5178.1-105.4-21.6110.1V144 E186V144-R188 HydrophobicContact CG2-CG 4.34Å; E186-R188 VanDerWaalsContact CD-NH2 3.27Å; E186-R188 IonicContact OE1-CZ 2.69Å; E186-R188 IonicContact OE1-NE 3.48Å; E186-R188 PolarHBondContact OE1-NE 2.96Å; E186-R188 IonicContact OE1-NH2 3.98Å; E186-R188 PolarHBondContact OE1-NH2 2.97Å; E186-R188 IonicContact OE2-CZ 3.94Å; E186-R188 IonicContact OE2-NE 2.78Å; E186-R188 IonicContact OE2-NH2 3.15Å; E186-R188 PolarHBondContact OE2-NH2 3.36Å
189T90.9Very high90Very high19 Ų1975 Ų7512%0.11738%0.377CS..EExtended strand (participates in β ladder)trans-154.8139.2-178.9-81.40000110.2F142 T143 K193 L194F142-T189 CarbonylContact C-O 3.49Å; F142-T189 WeakPolarHBondContact CA-O 3.13Å; T143-T189 PolarHBondContact N-O 2.94Å; T143-T189 PolarHBondContact O-N 3.41Å; T189-K193 HydrophobicContact CG2-CB 3.64Å; T189-K193 HydrophobicContact CG2-CD 3.78Å; T189-K193 HydrophobicContact CG2-CG 4.11Å; T189-L194 HydrophobicContact CG2-CD1 3.8Å; T189-L194 HydrophobicContact CG2-CG 3.88Å
190E87.7Confident90.1Very high119 Ų11970.7 Ų70.756%0.55635%0.354SS*.EExtended strand (participates in β ladder)trans-54.1142.2177.2-62.7130.7-149.600112.4G192 K193E190-G192 PolarHBondContact O-N 3.22Å; E190-K193 HydrophobicContact CB-CB 4.45Å; E190-K193 VanDerWaalsContact CD-NZ 3.31Å; E190-K193 WeakPolarHBondContact O-CB 3.13Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-N 3.16Å; E190-K193 IonicContact OE1-NZ 3.45Å; E190-K193 PolarHBondContact OE1-NZ 2.81Å; E190-K193 VanDerWaalsContact OE1-NZ 3.16Å; E190-K193 IonicContact OE2-NZ 2.71Å; E190-K193 PolarHBondContact OE2-NZ 3.22Å
191A75.1Confident90.2Very high44 Ų4471.4 Ų71.436%0.36436%0.355SS..THydrogen-bonded Turntrans-56.5136.6172.100000111A140 N141 K193A140-A191 WeakPolarHBondContact O-CB 3.49Å; N141-A191 VanDerWaalsContact C-CB 3.46Å; N141-A191 PolarHBondContact O-N 2.92Å; A191-K193 VanDerWaalsContact C-N 3.28Å; A191-K193 PolarHBondContact O-N 3.15Å
192G70Confident90.3Very high42 Ų4267.2 Ų67.243%0.43333%0.325SS..THydrogen-bonded Turntrans78.2-2.3-17800000115.8E190 L194 K195E190-G192 PolarHBondContact O-N 3.22Å; G192-L194 VanDerWaalsContact C-N 3.29Å; G192-K195 WeakPolarHBondContact O-CE 3.25Å; G192-K195 VanDerWaalsContact O-CG 3.31Å; G192-K195 WeakPolarHBondContact O-CG 3.4Å
193K83.1Confident90.4Very high114 Ų11468.4 Ų68.450%0.49633%0.326SS..SBendtrans-75.2-23.2167.2-161.3176.1-146.31430112.2T189 E190 A191T189-K193 HydrophobicContact CG2-CB 3.64Å; T189-K193 HydrophobicContact CG2-CD 3.78Å; T189-K193 HydrophobicContact CG2-CG 4.11Å; E190-K193 HydrophobicContact CB-CB 4.45Å; E190-K193 VanDerWaalsContact CD-NZ 3.31Å; E190-K193 WeakPolarHBondContact O-CB 3.13Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-N 3.16Å; E190-K193 IonicContact OE1-NZ 3.45Å; E190-K193 PolarHBondContact OE1-NZ 2.81Å; E190-K193 VanDerWaalsContact OE1-NZ 3.16Å; E190-K193 IonicContact OE2-NZ 2.71Å; E190-K193 PolarHBondContact OE2-NZ 3.22Å; A191-K193 VanDerWaalsContact C-N 3.28Å; A191-K193 PolarHBondContact O-N 3.15Å
194L84.5Confident90.5Very high28 Ų2860.8 Ų60.815%0.14730%0.298CS..SBendtrans-116101.1175.6-66.3172.1000108.5T143 I145 I167 T189 G192 L198 W223T143-L194 HydrophobicContact CG2-CD1 4.38Å; I145-L194 HydrophobicContact CD1-CD1 4.07Å; I167-L194 HydrophobicContact CD1-CD2 4.31Å; I167-L194 HydrophobicContact CG2-CD2 4.41Å; T189-L194 HydrophobicContact CG2-CD1 3.8Å; T189-L194 HydrophobicContact CG2-CG 3.88Å; G192-L194 VanDerWaalsContact C-N 3.29Å; L194-L198 HydrophobicContact CB-CD1 3.69Å; L194-L198 HydrophobicContact CD2-CD1 4.16Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L194-W223 HydrophobicContact CD1-CZ2 4.36Å
195K81.5Confident90.6Very high158 Ų15856.1 Ų56.169%0.68728%0.277SS*.  trans-117.6155.5-177.2-64.6-173.4-179.3-1760112.1G192G192-K195 WeakPolarHBondContact O-CE 3.25Å; G192-K195 VanDerWaalsContact O-CG 3.31Å; G192-K195 WeakPolarHBondContact O-CG 3.4Å
196G85.3Confident90.6Very high44 Ų4452 Ų5245%0.45426%0.258SS..SBendtrans86.7-161.8177.300000113.3G224G196-G224 WeakPolarHBondContact O-CA 3.12Å
197R91.5Very high90.4Very high144 Ų14450.4 Ų50.454%0.54325%0.252SS..EExtended strand (participates in β ladder)trans-90.8114.3174.2-66.5179.8-178.71720.4108.9Q169 R170Q169-R197 CarbonylContact C-O 3.59Å; Q169-R197 WeakPolarHBondContact CA-O 3.1Å; R170-R197 HydrophobicContact CB-CB 4.26Å; R170-R197 PolarHBondContact N-O 2.83Å
198L93.7Very high90Very high10 Ų1051.8 Ų51.85%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-115.8149.9-173.4-62.4173.7000110.8I167 K168 Q169 L194 S222 W223I167-L198 HydrophobicContact CG2-CD2 4.5Å; K168-L198 CarbonylContact O-C 3.45Å; K168-L198 VanDerWaalsContact O-CA 3.27Å; K168-L198 WeakPolarHBondContact O-CA 3.13Å; K168-L198 WeakPolarHBondContact O-CD2 3.36Å; Q169-L198 HydrophobicContact CG-CD2 4.01Å; L194-L198 HydrophobicContact CB-CD1 3.69Å; L194-L198 HydrophobicContact CD2-CD1 4.16Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L198-S222 CarbonylContact O-C 3.58Å; L198-S222 WeakPolarHBondContact O-CA 3.41Å; L198-S222 WeakPolarHBondContact O-CB 3.18Å; L198-W223 HydrophobicContact CB-CD2 4.12Å; L198-W223 HydrophobicContact CB-CE3 4.29Å; L198-W223 HydrophobicContact CB-CH2 3.96Å; L198-W223 HydrophobicContact CB-CZ2 3.76Å; L198-W223 HydrophobicContact CB-CZ3 4.21Å; L198-W223 HydrophobicContact CD1-CH2 4.45Å; L198-W223 HydrophobicContact CD1-CZ2 3.61Å; L198-W223 HydrophobicContact CG-CZ2 4.35Å; L198-W223 PolarHBondContact N-O 3.29Å; L198-W223 PolarHBondContact O-N 3.4Å
199D95.9Very high89.6Confident13 Ų1348 Ų487%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-121.9138.9169.5-55.9-31.6000108.2I167 K168 R170 W174 T220 T221 S222I167-D199 WeakPolarHBondContact CA-O 3.3Å; K168-D199 WeakPolarHBondContact CE-OD2 3.19Å; K168-D199 HydrophobicContact CG-CB 4.1Å; K168-D199 PolarHBondContact N-O 2.79Å; K168-D199 IonicContact NZ-OD2 3.16Å; K168-D199 PolarHBondContact NZ-OD2 2.66Å; K168-D199 PolarHBondContact O-N 3.36Å; R170-D199 WeakPolarHBondContact CA-OD2 3.45Å; R170-D199 IonicContact NE-OD1 2.74Å; R170-D199 PolarHBondContact NE-OD1 2.68Å; W174-D199 HydrophobicContact CH2-CB 4Å; W174-D199 HydrophobicContact CZ2-CB 4.35Å; D199-T220 HydrophobicContact CB-CG2 3.77Å; D199-T221 CarbonylContact C-O 3.41Å; D199-T221 WeakPolarHBondContact CA-O 3.47Å; D199-S222 WeakPolarHBondContact OD1-CB 3.36Å; D199-S222 PolarHBondContact OD1-OG 3.06Å
200A96.4Very high89.2Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-136.4153.1170.300000113.5L165 Q166 I167 T220 T221 W223L165-A200 HydrophobicContact CD1-CB 4.28Å; Q166-A200 WeakPolarHBondContact O-CA 3.42Å; Q166-A200 VanDerWaalsContact O-CB 3.31Å; Q166-A200 WeakPolarHBondContact O-CB 3.47Å; I167-A200 HydrophobicContact CG1-CB 4.11Å; A200-T220 CarbonylContact O-C 3.53Å; A200-T220 WeakPolarHBondContact O-CA 3.32Å; A200-T221 PolarHBondContact N-O 2.74Å; A200-T221 PolarHBondContact O-N 2.78Å; A200-W223 HydrophobicContact CB-CH2 3.71Å; A200-W223 HydrophobicContact CB-CZ3 3.5Å
201R97.9Very high89Confident41 Ų4148.6 Ų48.616%0.15528%0.283CS..EExtended strand (participates in β ladder)trans-150.4152.217662.6-175.1-169.71732.6109.2Q166 W174 W217 S218Q166-R201 HydrophobicContact CB-CG 4.15Å; Q166-R201 PolarHBondContact N-O 2.93Å; Q166-R201 PolarHBondContact O-N 2.92Å; Q166-R201 VanDerWaalsContact O-N 3.11Å; Q166-R201 VanDerWaalsContact OE1-CZ 3.29Å; W174-R201 VanDerWaalsContact CD2-CZ 3.46Å; W174-R201 HydrophobicContact CE3-CG 4.33Å; W174-R201 HydrophobicContact CH2-CB 4.36Å; W174-R201 HydrophobicContact CH2-CG 3.7Å; W174-R201 HydrophobicContact CZ2-CG 4.31Å; W174-R201 HydrophobicContact CZ3-CG 3.71Å; R201-W217 HydrophobicContact CB-CE3 4.37Å; R201-W217 HydrophobicContact CG-CB 4.45Å; R201-W217 HydrophobicContact CG-CD2 4.11Å; R201-W217 HydrophobicContact CG-CE3 3.66Å; R201-W217 HydrophobicContact CG-CG 4.46Å; R201-W217 HydrophobicContact CG-CZ3 4.29Å; R201-S218 WeakPolarHBondContact CA-OG 3.44Å
202V98.1Very high89.8Confident0 Ų047.5 Ų47.50%027%0.272CS..EExtended strand (participates in β ladder)trans-131155-176.967.90000110.5P131 P134 W147 F163 Q164 L165 S218P131-V202 HydrophobicContact CB-CG1 3.67Å; P131-V202 HydrophobicContact CG-CG1 4.07Å; P134-V202 HydrophobicContact CG-CB 4.45Å; P134-V202 HydrophobicContact CG-CG1 4.02Å; W147-V202 HydrophobicContact CB-CG1 3.86Å; W147-V202 HydrophobicContact CD2-CB 4.38Å; W147-V202 HydrophobicContact CD2-CG1 4.15Å; W147-V202 HydrophobicContact CD2-CG2 3.97Å; W147-V202 HydrophobicContact CG-CB 4.47Å; W147-V202 HydrophobicContact CG-CG1 3.76Å; W147-V202 HydrophobicContact CG-CG2 4.22Å; W147-V202 HydrophobicContact CZ2-CG2 4.25Å; F163-V202 HydrophobicContact CB-CG2 4.24Å; F163-V202 HydrophobicContact CD1-CG2 4.37Å; Q164-V202 WeakPolarHBondContact O-CA 3.39Å; Q164-V202 WeakPolarHBondContact O-CG2 3.24Å; L165-V202 HydrophobicContact CB-CG2 4.37Å; L165-V202 HydrophobicContact CD1-CB 4Å; L165-V202 HydrophobicContact CD1-CG2 4.44Å; V202-S218 PolarHBondContact N-OG 3.46Å; V202-S218 WeakPolarHBondContact O-CB 3.49Å; V202-S218 PolarHBondContact O-N 2.97Å; V202-S218 PolarHBondContact O-OG 3.26Å
203R97.9Very high90.9Very high59 Ų5949.4 Ų49.422%0.22327%0.27CS..EExtended strand (participates in β ladder)trans-140.6160171.863.6179.1-175.7156.1-0.7110.5F163 Q164 W214 S215 W217F163-R203 WeakPolarHBondContact CA-O 3.26Å; Q164-R203 HydrophobicContact CB-CG 4.12Å; Q164-R203 PolarHBondContact N-O 2.97Å; Q164-R203 PolarHBondContact O-N 2.83Å; R203-W214 HydrophobicContact CG-CD2 4.43Å; R203-W214 HydrophobicContact CG-CE3 3.73Å; R203-W214 HydrophobicContact CG-CZ3 4.31Å; R203-W214 VanDerWaalsContact NH1-CB 3.34Å; R203-S215 WeakPolarHBondContact CA-OG 3.34Å; R203-S215 WeakPolarHBondContact CB-OG 3.3Å; R203-W217 HydrophobicContact CB-CD2 4.35Å; R203-W217 HydrophobicContact CB-CE3 3.9Å; R203-W217 HydrophobicContact CB-CZ3 4.16Å; R203-W217 HydrophobicContact CG-CD2 4.26Å; R203-W217 HydrophobicContact CG-CE3 3.76Å; R203-W217 HydrophobicContact CG-CH2 3.81Å; R203-W217 HydrophobicContact CG-CZ2 4.3Å; R203-W217 HydrophobicContact CG-CZ3 3.54Å; R203-W217 VanDerWaalsContact NE-CZ2 3.35Å
204V97.5Very high91.6Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-126.1151.1-171.7680000111.9M128 P131 L149 F161 D162 F163 S215M128-V204 HydrophobicContact CB-CG1 3.88Å; M128-V204 HydrophobicContact CE-CG1 4.12Å; M128-V204 HydrophobicContact CE-CG2 4.46Å; M128-V204 HydrophobicContact SD-CG1 3.94Å; M128-V204 HydrophobicContact SD-CG2 4.12Å; P131-V204 HydrophobicContact CG-CB 4.02Å; P131-V204 HydrophobicContact CG-CG1 3.97Å; L149-V204 HydrophobicContact CD2-CG2 4.02Å; F161-V204 HydrophobicContact CB-CG2 3.71Å; F161-V204 HydrophobicContact CD1-CG2 4.05Å; F161-V204 HydrophobicContact CG-CG2 4.12Å; D162-V204 WeakPolarHBondContact O-CA 3.35Å; F163-V204 HydrophobicContact CD1-CB 3.82Å; F163-V204 HydrophobicContact CD1-CG2 3.73Å; F163-V204 HydrophobicContact CE1-CB 3.81Å; F163-V204 HydrophobicContact CE1-CG2 3.46Å; F163-V204 VanDerWaalsContact CE1-CG2 3.46Å; F163-V204 HydrophobicContact CZ-CG2 4.07Å; V204-S215 PolarHBondContact N-OG 2.7Å; V204-S215 PolarHBondContact O-N 3.29Å
205N96Very high92.2Very high26 Ų2646.5 Ų46.514%0.13925%0.254CS..EExtended strand (participates in β ladder)trans-141.7134.4171.8-173.257.3000108.8D162 S212 H213 W214D162-N205 PolarHBondContact N-O 3.07Å; D162-N205 PolarHBondContact O-N 3.34Å; N205-S212 WeakPolarHBondContact OD1-CB 3.44Å; N205-H213 VanDerWaalsContact OD1-C 3.32Å; N205-H213 PolarHBondContact OD1-O 2.97Å; N205-W214 HydrophobicContact CB-CD2 3.75Å; N205-W214 HydrophobicContact CB-CE3 3.6Å; N205-W214 HydrophobicContact CB-CG 4.32Å; N205-W214 HydrophobicContact CB-CH2 4.15Å; N205-W214 HydrophobicContact CB-CZ2 4.27Å; N205-W214 HydrophobicContact CB-CZ3 3.82Å
206P94.6Very high92.9Very high3 Ų343.4 Ų43.42%0.01925%0.245CC..EExtended strand (participates in β ladder)trans-71.6136.5-179.428.6-33.8000111.8I126 M128 F157 F161 R209I126-P206 HydrophobicContact CG2-CG 4.22Å; M128-P206 HydrophobicContact SD-CB 4.18Å; M128-P206 HydrophobicContact SD-CG 4.28Å; F157-P206 HydrophobicContact CD1-CB 3.57Å; F157-P206 HydrophobicContact CD1-CG 4.34Å; F157-P206 HydrophobicContact CE1-CB 3.56Å; F157-P206 HydrophobicContact CE1-CG 3.81Å; F157-P206 HydrophobicContact CZ-CB 4.48Å; F161-P206 HydrophobicContact CD1-CB 4.43Å; P206-R209 HydrophobicContact CB-CB 4.43Å; P206-R209 HydrophobicContact CB-CG 4.17Å; P206-R209 HydrophobicContact CG-CB 4.1Å; P206-R209 HydrophobicContact CG-CG 4.26Å
207V92.7Very high93.4Very high24 Ų2444.4 Ų44.415%0.14524%0.235CC..THydrogen-bonded Turntrans-70.7148.3175.4178.20000109.5S159 G160 R209S159-V207 WeakPolarHBondContact O-CB 3.38Å; G160-V207 WeakPolarHBondContact O-CB 3.38Å; G160-V207 PolarHBondContact O-N 2.92Å; V207-R209 PolarHBondContact O-N 3.19Å; V207-R209 VanDerWaalsContact O-N 3.17Å
208G85.7Confident93.7Very high60 Ų6037.8 Ų37.862%0.61921%0.211SC*.THydrogen-bonded Turntrans72.26.5171.800000115.6P210G208-P210 VanDerWaalsContact O-CD 3.3Å; G208-P210 WeakPolarHBondContact O-CD 3.48Å
209R86.4Confident93.9Very high61 Ų6141.2 Ų41.223%0.2323%0.234CC..  trans-110.586.5179.6-64.5-65.5-175.4-170.6-3.4110.8I126 Y156 P206 V207 S212I126-R209 HydrophobicContact CD1-CB 4.01Å; I126-R209 HydrophobicContact CD1-CG 3.88Å; Y156-R209 PolarHBondContact O-NH2 3.02Å; P206-R209 HydrophobicContact CB-CB 4.43Å; P206-R209 HydrophobicContact CB-CG 4.17Å; P206-R209 HydrophobicContact CG-CB 4.1Å; P206-R209 HydrophobicContact CG-CG 4.26Å; V207-R209 PolarHBondContact O-N 3.19Å; V207-R209 VanDerWaalsContact O-N 3.17Å; R209-S212 WeakPolarHBondContact CB-OG 3.34Å; R209-S212 VanDerWaalsContact O-CB 3.24Å; R209-S212 WeakPolarHBondContact O-CB 3.28Å; R209-S212 PolarHBondContact O-N 3.47Å; R209-S212 PolarHBondContact O-OG 3.16Å
210P82.6Confident94Very high101 Ų10143.8 Ų43.866%0.65625%0.25SS*.THydrogen-bonded Turntrans-59.5147.1178.227-35000111.1G208 S212G208-P210 VanDerWaalsContact O-CD 3.3Å; G208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-S212 PolarHBondContact O-N 2.93Å
211G83.3Confident94Very high49 Ų4945.4 Ų45.451%0.50526%0.26SS..THydrogen-bonded Turntrans79.9-8.6-17400000115.2E124E124-G211 CarbonylContact O-C 3.58Å; E124-G211 VanDerWaalsContact O-C 3.28Å; E124-G211 VanDerWaalsContact O-CA 3.3Å; E124-G211 WeakPolarHBondContact O-CA 3.31Å
212S91.1Very high93.8Very high21 Ų2145.9 Ų45.915%0.14727%0.27CS..  trans-63.2145.2175.1-57.40000113.1I126 N205 R209 P210I126-S212 WeakPolarHBondContact O-CA 3.14Å; N205-S212 WeakPolarHBondContact OD1-CB 3.44Å; R209-S212 WeakPolarHBondContact CB-OG 3.34Å; R209-S212 VanDerWaalsContact O-CB 3.24Å; R209-S212 WeakPolarHBondContact O-CB 3.28Å; R209-S212 PolarHBondContact O-N 3.47Å; R209-S212 PolarHBondContact O-OG 3.16Å; P210-S212 PolarHBondContact O-N 2.93Å
213H94.1Very high93.5Very high82 Ų8247.4 Ų47.438%0.3828%0.275SS..BIsolated β-bridgetrans-105.3139.4175.2-58.8-90000110.3T32 I126 K127 N205 S215T32-H213 VanDerWaalsContact CG2-CD2 3.5Å; T32-H213 WeakPolarHBondContact CG2-CD2 3.4Å; I126-H213 PolarHBondContact O-N 2.9Å; K127-H213 HydrophobicContact CB-CB 4.28Å; K127-H213 HydrophobicContact CG-CB 4.28Å; N205-H213 VanDerWaalsContact OD1-C 3.32Å; N205-H213 PolarHBondContact OD1-O 2.97Å; H213-S215 PolarHBondContact O-N 3.03Å
214W96.4Very high92.9Very high77 Ų7746.1 Ų46.129%0.29228%0.281SS..PPolyproline II helixtrans-49.8138164.7-71.996.6000111.4D162 Q164 R203 N205D162-W214 HydrophobicContact CB-CH2 4.2Å; D162-W214 VanDerWaalsContact O-CZ3 3.28Å; D162-W214 WeakPolarHBondContact O-CZ3 3.34Å; Q164-W214 HydrophobicContact CB-CE3 4.36Å; Q164-W214 HydrophobicContact CB-CH2 3.78Å; Q164-W214 HydrophobicContact CB-CZ2 4.44Å; Q164-W214 HydrophobicContact CB-CZ3 3.72Å; R203-W214 HydrophobicContact CG-CD2 4.43Å; R203-W214 HydrophobicContact CG-CE3 3.73Å; R203-W214 HydrophobicContact CG-CZ3 4.31Å; R203-W214 VanDerWaalsContact NH1-CB 3.34Å; N205-W214 HydrophobicContact CB-CD2 3.75Å; N205-W214 HydrophobicContact CB-CE3 3.6Å; N205-W214 HydrophobicContact CB-CG 4.32Å; N205-W214 HydrophobicContact CB-CH2 4.15Å; N205-W214 HydrophobicContact CB-CZ2 4.27Å; N205-W214 HydrophobicContact CB-CZ3 3.82Å
215S97.1Very high91.3Very high3 Ų351.7 Ų51.72%0.02131%0.31CS..PPolyproline II helixtrans-55.4164.8168.975.50000111.4M128 P131 R203 V204 H213M128-S215 WeakPolarHBondContact O-CA 3.49Å; M128-S215 WeakPolarHBondContact O-CB 3.35Å; P131-S215 WeakPolarHBondContact CD-OG 3.49Å; R203-S215 WeakPolarHBondContact CA-OG 3.34Å; R203-S215 WeakPolarHBondContact CB-OG 3.3Å; V204-S215 PolarHBondContact N-OG 2.7Å; V204-S215 PolarHBondContact O-N 3.29Å; H213-S215 PolarHBondContact O-N 3.03Å
216D96.1Very high89.2Confident93 Ų9358.2 Ų58.250%0.49734%0.344SS..PPolyproline II helixtrans-61.5162.5160.1-62.4-51.9000110.2K127 P130K127-D216 WeakPolarHBondContact CE-OD2 3.43Å; K127-D216 IonicContact NZ-OD1 2.67Å; K127-D216 PolarHBondContact NZ-OD1 3.01Å; K127-D216 IonicContact NZ-OD2 3.62Å; K127-D216 PolarHBondContact NZ-OD2 3.38Å; P130-D216 HydrophobicContact CB-CB 4.4Å; P130-D216 WeakPolarHBondContact CB-O 3.39Å
217W97.6Very high86.9Confident66 Ų6667.5 Ų67.525%0.2538%0.384CS..PPolyproline II helixtrans-69141.8176.6-65.3100.9000110.8Q164 Q166 R201 R203Q164-W217 HydrophobicContact CG-CH2 4.19Å; Q164-W217 WeakPolarHBondContact O-CZ3 3.46Å; Q166-W217 HydrophobicContact CB-CH2 4.4Å; Q166-W217 HydrophobicContact CB-CZ3 4.22Å; Q166-W217 HydrophobicContact CG-CH2 3.45Å; Q166-W217 VanDerWaalsContact CG-CH2 3.45Å; Q166-W217 HydrophobicContact CG-CZ2 4.23Å; Q166-W217 HydrophobicContact CG-CZ3 3.73Å; R201-W217 HydrophobicContact CB-CE3 4.37Å; R201-W217 HydrophobicContact CG-CB 4.45Å; R201-W217 HydrophobicContact CG-CD2 4.11Å; R201-W217 HydrophobicContact CG-CE3 3.66Å; R201-W217 HydrophobicContact CG-CG 4.46Å; R201-W217 HydrophobicContact CG-CZ3 4.29Å; R203-W217 HydrophobicContact CB-CD2 4.35Å; R203-W217 HydrophobicContact CB-CE3 3.9Å; R203-W217 HydrophobicContact CB-CZ3 4.16Å; R203-W217 HydrophobicContact CG-CD2 4.26Å; R203-W217 HydrophobicContact CG-CE3 3.76Å; R203-W217 HydrophobicContact CG-CH2 3.81Å; R203-W217 HydrophobicContact CG-CZ2 4.3Å; R203-W217 HydrophobicContact CG-CZ3 3.54Å; R203-W217 VanDerWaalsContact NE-CZ2 3.35Å
218S97.8Very high84.5Confident5 Ų568.6 Ų68.64%0.03540%0.4CS..PPolyproline II helixtrans-52.6161.1165.9740000111.3P131 G132 R201 V202P131-S218 WeakPolarHBondContact O-CA 3.36Å; P131-S218 WeakPolarHBondContact O-CB 3.37Å; G132-S218 WeakPolarHBondContact O-CB 3.33Å; R201-S218 WeakPolarHBondContact CA-OG 3.44Å; V202-S218 PolarHBondContact N-OG 3.46Å; V202-S218 WeakPolarHBondContact O-CB 3.49Å; V202-S218 PolarHBondContact O-N 2.97Å; V202-S218 PolarHBondContact O-OG 3.26Å
219P97.1Very high82.2Confident82 Ų8273.9 Ų73.953%0.53241%0.409SS..PPolyproline II helixtrans-50.3146.3158.4-2132.3000110.4A133A133-P219 HydrophobicContact CB-CB 4Å; A133-P219 HydrophobicContact CB-CG 4.39Å
220T97.3Very high80.1Confident67 Ų6775.9 Ų75.941%0.41143%0.432SS..PPolyproline II helixtrans-87121.1-177.4-62.60000110.2W174 D199 A200W174-T220 HydrophobicContact CH2-CG2 3.96Å; W174-T220 HydrophobicContact CZ2-CG2 3.83Å; D199-T220 HydrophobicContact CB-CG2 3.77Å; A200-T220 CarbonylContact O-C 3.53Å; A200-T220 WeakPolarHBondContact O-CA 3.32Å
221T96.4Very high78.2Confident33 Ų3378 Ų7820%0.20243%0.433CS..EExtended strand (participates in β ladder)trans-90.3131.2168.9-57.30000109.4P134 I136 D199 A200P134-T221 VanDerWaalsContact O-CB 3.23Å; P134-T221 WeakPolarHBondContact O-CB 3.38Å; P134-T221 VanDerWaalsContact O-CG2 3.31Å; P134-T221 WeakPolarHBondContact O-CG2 3.2Å; P134-T221 PolarHBondContact O-OG1 3.41Å; I136-T221 HydrophobicContact CG1-CG2 3.77Å; D199-T221 CarbonylContact C-O 3.41Å; D199-T221 WeakPolarHBondContact CA-O 3.47Å; A200-T221 PolarHBondContact N-O 2.74Å; A200-T221 PolarHBondContact O-N 2.78Å
222S94.6Very high76.3Confident51 Ų5178.1 Ų78.136%0.35743%0.426SS..EExtended strand (participates in β ladder)trans-108.6146.4168.5-57.80000112R170 L198 D199R170-S222 PolarHBondContact NH2-OG 2.72Å; L198-S222 CarbonylContact O-C 3.58Å; L198-S222 WeakPolarHBondContact O-CA 3.41Å; L198-S222 WeakPolarHBondContact O-CB 3.18Å; D199-S222 WeakPolarHBondContact OD1-CB 3.36Å; D199-S222 PolarHBondContact OD1-OG 3.06Å
223W92Very high74.3Confident33 Ų3382.3 Ų82.313%0.12545%0.453CS..EExtended strand (participates in β ladder)trans-145.2176.3168.971.6104000110.5I136 I145 I167 L194 L198 A200I136-W223 HydrophobicContact CD1-CD2 4.04Å; I136-W223 HydrophobicContact CD1-CE3 3.63Å; I136-W223 HydrophobicContact CD1-CH2 4.04Å; I136-W223 HydrophobicContact CD1-CZ2 4.4Å; I136-W223 HydrophobicContact CD1-CZ3 3.65Å; I136-W223 HydrophobicContact CG1-CD2 3.97Å; I136-W223 HydrophobicContact CG1-CE3 3.72Å; I136-W223 HydrophobicContact CG1-CG 4.34Å; I136-W223 HydrophobicContact CG1-CZ3 4.25Å; I136-W223 HydrophobicContact CG2-CB 4.4Å; I136-W223 HydrophobicContact CG2-CD2 4.02Å; I136-W223 HydrophobicContact CG2-CG 3.9Å; I145-W223 HydrophobicContact CD1-CH2 3.82Å; I145-W223 HydrophobicContact CD1-CZ2 3.96Å; I167-W223 HydrophobicContact CG2-CH2 3.99Å; I167-W223 HydrophobicContact CG2-CZ2 4.45Å; L194-W223 HydrophobicContact CD1-CZ2 4.36Å; L198-W223 HydrophobicContact CB-CD2 4.12Å; L198-W223 HydrophobicContact CB-CE3 4.29Å; L198-W223 HydrophobicContact CB-CH2 3.96Å; L198-W223 HydrophobicContact CB-CZ2 3.76Å; L198-W223 HydrophobicContact CB-CZ3 4.21Å; L198-W223 HydrophobicContact CD1-CH2 4.45Å; L198-W223 HydrophobicContact CD1-CZ2 3.61Å; L198-W223 HydrophobicContact CG-CZ2 4.35Å; L198-W223 PolarHBondContact N-O 3.29Å; L198-W223 PolarHBondContact O-N 3.4Å; A200-W223 HydrophobicContact CB-CH2 3.71Å; A200-W223 HydrophobicContact CB-CZ3 3.5Å
224G84.3Confident72.3Confident32 Ų3281.8 Ų81.833%0.3346%0.459SS..EExtended strand (participates in β ladder)trans163.9156.2172.500000112.6G196 L226G196-G224 WeakPolarHBondContact O-CA 3.12Å; G224-L226 PolarHBondContact O-N 3.36Å
225D65.2Low70.3Confident117 Ų11782 Ų8263%0.62647%0.465SS*.  trans-74.3118.9-174-155.4-27000111.6K227 G228D225-K227 PolarHBondContact O-N 3.23Å; D225-K227 PolarHBondContact OD1-N 2.71Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å; D225-G228 PolarHBondContact O-N 2.93Å
226L50.7Low68.4Low163 Ų16388.8 Ų88.885%0.85350%0.497SS*.THydrogen-bonded Turntrans-70.3-19.6178.4-81.8164.3000112.7G224 G228G224-L226 PolarHBondContact O-N 3.36Å; L226-G228 PolarHBondContact O-N 3.47Å
227K46.9Very low66.7Low197 Ų19787.5 Ų87.586%0.85749%0.49SS*.THydrogen-bonded Turntrans-75.5-8.4176.5-83.5179.1170.8176.30113.9D225 H229D225-K227 PolarHBondContact O-N 3.23Å; D225-K227 PolarHBondContact OD1-N 2.71Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å; K227-H229 PolarHBondContact O-N 2.89Å; K227-H229 VanDerWaalsContact O-N 3.09Å
228G43Very low65.2Low47 Ų4788.6 Ų88.649%0.48550%0.504SS..  trans-82.962.9-175.800000115.8D225 L226 S230D225-G228 PolarHBondContact O-N 2.93Å; L226-G228 PolarHBondContact O-N 3.47Å; G228-S230 PolarHBondContact O-N 3.22Å; G228-S230 VanDerWaalsContact O-N 3.07Å
229H37.3Very low64.1Low172 Ų17292.4 Ų92.480%0.79653%0.527SS*.  trans-78.239.2159.2-102.8100.1000111.9K227 H231K227-H229 PolarHBondContact O-N 2.89Å; K227-H229 VanDerWaalsContact O-N 3.09Å; H229-H231 PolarHBondContact O-N 2.95Å; H229-H231 VanDerWaalsContact O-N 3.09Å
230S41.5Very low63.1Low103 Ų10396.2 Ų96.272%0.7253%0.53SS*.  trans-70.699.8165.354.50000108.3G228 S232G228-S230 PolarHBondContact O-N 3.22Å; G228-S230 VanDerWaalsContact O-N 3.07Å; S230-S232 PolarHBondContact O-N 3.41Å
231H43Very low62.2Low144 Ų144100.2 Ų100.267%0.66754%0.538SS*.  trans-46.6133.1164.6-81.8-88000109.2H229H229-H231 PolarHBondContact O-N 2.95Å; H229-H231 VanDerWaalsContact O-N 3.09Å
232S42.4Very low61.3Low52 Ų52102.3 Ų102.336%0.36455%0.554SS.*  trans-63.6136.8176.6-176.60000108.4S230 S234 D235S230-S232 PolarHBondContact O-N 3.41Å; S232-S234 PolarHBondContact O-N 3.46Å; S232-S234 VanDerWaalsContact O-N 3.07Å; S232-S234 WeakPolarHBondContact OG-CB 3.34Å; S232-S234 PolarHBondContact OG-N 3.01Å; S232-D235 VanDerWaalsContact CB-OD2 3.25Å; S232-D235 WeakPolarHBondContact CB-OD2 3.45Å; S232-D235 PolarHBondContact N-OD2 2.95Å; S232-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 PolarHBondContact O-N 3.49Å
233P50.3Low60.8Low110 Ų110105.2 Ų105.271%0.71457%0.565SS**Hα-helixtrans-59.5-19.4170.824.5-33000111.9N237P233-N237 WeakPolarHBondContact O-CB 3.27Å; P233-N237 PolarHBondContact O-N 3.29Å
234S51.4Low60.6Low71 Ų71110 Ų11050%0.49759%0.587SS.*Hα-helixtrans-62.8-37.9168.7-164.50000113S232 T238S232-S234 PolarHBondContact O-N 3.46Å; S232-S234 VanDerWaalsContact O-N 3.07Å; S232-S234 WeakPolarHBondContact OG-CB 3.34Å; S232-S234 PolarHBondContact OG-N 3.01Å; S234-T238 WeakPolarHBondContact O-CB 3.48Å; S234-T238 PolarHBondContact O-N 3.49Å; S234-T238 PolarHBondContact O-OG1 3.46Å
235D54.7Low60.6Low81 Ų81111.9 Ų111.943%0.43360%0.595SS.*Hα-helixtrans-72.9-46.3-175.1-55.2-31.8000110.4S232 N237 T238 V239S232-D235 VanDerWaalsContact CB-OD2 3.25Å; S232-D235 WeakPolarHBondContact CB-OD2 3.45Å; S232-D235 PolarHBondContact N-OD2 2.95Å; S232-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 PolarHBondContact O-N 3.49Å; D235-N237 VanDerWaalsContact C-N 3.31Å; D235-N237 PolarHBondContact O-N 2.92Å; D235-T238 PolarHBondContact O-N 3.22Å; D235-V239 WeakPolarHBondContact O-CG2 3.46Å; D235-V239 PolarHBondContact O-N 2.85Å
236Q57.9Low61.8Low146 Ų146111 Ų11168%0.68259%0.59SS**Hα-helixtrans-58.6-42.6174.3-81.2-163.1-8.300111.9R240Q236-R240 VanDerWaalsContact O-CB 3.26Å; Q236-R240 WeakPolarHBondContact O-CB 3.32Å; Q236-R240 PolarHBondContact O-N 3.43Å
237N59.9Low63.7Low66 Ų66104.8 Ų104.835%0.35357%0.565SS.*Hα-helixtrans-66.1-42.6179.4-150.626.6000110.8P233 D235 R240 W241P233-N237 WeakPolarHBondContact O-CB 3.27Å; P233-N237 PolarHBondContact O-N 3.29Å; D235-N237 VanDerWaalsContact C-N 3.31Å; D235-N237 PolarHBondContact O-N 2.92Å; N237-R240 PolarHBondContact O-N 2.78Å; N237-R240 PolarHBondContact OD1-NH2 3.42Å; N237-W241 PolarHBondContact O-N 3.19Å; N237-W241 PolarHBondContact OD1-NE1 3.09Å
238T66.5Low65.8Low88 Ų88100.1 Ų100.154%0.5455%0.549SS..Hα-helixtrans-63.3-45.7178.1-55.30000112S234 D235 R240 W241 S242S234-T238 WeakPolarHBondContact O-CB 3.48Å; S234-T238 PolarHBondContact O-N 3.49Å; S234-T238 PolarHBondContact O-OG1 3.46Å; D235-T238 PolarHBondContact O-N 3.22Å; T238-R240 PolarHBondContact O-N 2.72Å; T238-W241 PolarHBondContact O-N 3.26Å; T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.01Å
239V73.4Confident68Low86 Ų86104.2 Ų104.252%0.52155%0.554SS.*Hα-helixtrans-63.1-41.7175.51730000111D235 S242 L243D235-V239 WeakPolarHBondContact O-CG2 3.46Å; D235-V239 PolarHBondContact O-N 2.85Å; V239-S242 WeakPolarHBondContact O-CB 3.32Å; V239-S242 PolarHBondContact O-N 2.67Å; V239-L243 HydrophobicContact CG1-CD1 3.96Å; V239-L243 HydrophobicContact CG1-CG 4.39Å; V239-L243 WeakPolarHBondContact O-CG 3.42Å; V239-L243 PolarHBondContact O-N 3.15Å
240R76.6Confident70.6Confident161 Ų161100.6 Ų100.661%0.60854%0.54SS*.Hα-helixtrans-62.7-44.2177.4-173.4175.265.6-177.71.2112.5Q236 N237 T238 L243 F244Q236-R240 VanDerWaalsContact O-CB 3.26Å; Q236-R240 WeakPolarHBondContact O-CB 3.32Å; Q236-R240 PolarHBondContact O-N 3.43Å; N237-R240 PolarHBondContact O-N 2.78Å; N237-R240 PolarHBondContact OD1-NH2 3.42Å; T238-R240 PolarHBondContact O-N 2.72Å; R240-L243 PolarHBondContact O-N 2.97Å; R240-F244 WeakPolarHBondContact O-CB 3.36Å; R240-F244 PolarHBondContact O-N 2.57Å
241W77.8Confident73Confident151 Ų15199.7 Ų99.757%0.57253%0.53SS*.Hα-helixtrans-66.7-36.3175.3-74.4117000112.6N237 T238 F244 S245N237-W241 PolarHBondContact O-N 3.19Å; N237-W241 PolarHBondContact OD1-NE1 3.09Å; T238-W241 PolarHBondContact O-N 3.26Å; W241-F244 PolarHBondContact O-N 2.8Å; W241-S245 WeakPolarHBondContact O-CB 3.42Å; W241-S245 PolarHBondContact O-N 2.8Å; W241-S245 PolarHBondContact O-OG 3.33Å
242S78.2Confident75.1Confident77 Ų7796.6 Ų96.654%0.53852%0.521SS..Hα-helixtrans-62.4-49.6174-176.10000111.7T238 V239 F244 S245 L246T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.01Å; V239-S242 WeakPolarHBondContact O-CB 3.32Å; V239-S242 PolarHBondContact O-N 2.67Å; S242-F244 VanDerWaalsContact C-N 3.34Å; S242-F244 PolarHBondContact O-N 3.44Å; S242-S245 PolarHBondContact O-N 3.4Å; S242-L246 WeakPolarHBondContact O-CB 3.39Å; S242-L246 PolarHBondContact O-N 2.82Å
243L84.7Confident77.3Confident112 Ų11296.9 Ų96.959%0.58652%0.521SS*.Hα-helixtrans-60.7-40.5176.5-70.8170.6000112.5V239 R240 L246 G247V239-L243 HydrophobicContact CG1-CD1 3.96Å; V239-L243 HydrophobicContact CG1-CG 4.39Å; V239-L243 WeakPolarHBondContact O-CG 3.42Å; V239-L243 PolarHBondContact O-N 3.15Å; R240-L243 PolarHBondContact O-N 2.97Å; L243-L246 PolarHBondContact O-N 3.26Å; L243-G247 PolarHBondContact O-N 2.84Å
244F86.4Confident79.2Confident134 Ų13496.7 Ų96.759%0.58851%0.513SS*.Hα-helixtrans-66.6-39.4176.9-160.3-97.7000112.1R240 W241 S242 G247 L248R240-F244 WeakPolarHBondContact O-CB 3.36Å; R240-F244 PolarHBondContact O-N 2.57Å; W241-F244 PolarHBondContact O-N 2.8Å; S242-F244 VanDerWaalsContact C-N 3.34Å; S242-F244 PolarHBondContact O-N 3.44Å; F244-G247 PolarHBondContact O-N 3.03Å; F244-L248 HydrophobicContact CD1-CD1 3.81Å; F244-L248 HydrophobicContact CD1-CG 4.43Å; F244-L248 HydrophobicContact CE1-CD1 3.79Å; F244-L248 HydrophobicContact CE1-CG 4.34Å; F244-L248 PolarHBondContact O-N 2.86Å
245S84.4Confident80.9Confident72 Ų7297.6 Ų97.650%0.50352%0.515SS..Hα-helixtrans-66.7-41.4176.1-56.10000112.1W241 S242 L248 F249W241-S245 WeakPolarHBondContact O-CB 3.42Å; W241-S245 PolarHBondContact O-N 2.8Å; W241-S245 PolarHBondContact O-OG 3.33Å; S242-S245 PolarHBondContact O-N 3.4Å; S245-L248 PolarHBondContact O-N 2.76Å; S245-F249 WeakPolarHBondContact O-CB 3.45Å; S245-F249 PolarHBondContact O-N 3.17Å
246L90Very high82.3Confident97 Ų9797.4 Ų97.451%0.50852%0.517SS..Hα-helixtrans-65.5-39.5175-178.261.1000111.8S242 L243 F249 L250S242-L246 WeakPolarHBondContact O-CB 3.39Å; S242-L246 PolarHBondContact O-N 2.82Å; L243-L246 PolarHBondContact O-N 3.26Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-L250 HydrophobicContact CG-CD1 4.39Å; L246-L250 PolarHBondContact O-N 2.95Å
247G91.3Very high83.4Confident33 Ų3395.7 Ų95.734%0.3451%0.511SS..Hα-helixtrans-61.7-46.7173.300000112.5L243 F244 F249 L250 V251L243-G247 PolarHBondContact O-N 2.84Å; F244-G247 PolarHBondContact O-N 3.03Å; G247-F249 VanDerWaalsContact C-N 3.34Å; G247-F249 PolarHBondContact O-N 3.31Å; G247-L250 PolarHBondContact O-N 2.89Å; G247-V251 WeakPolarHBondContact O-CG2 3.48Å; G247-V251 PolarHBondContact O-N 2.71Å
248L90.3Very high84.4Confident99 Ų9995.1 Ų95.152%0.51852%0.516SS..Hα-helixtrans-59.1-43.5173.8-80.2167.3000112.1F244 S245 V251 T252F244-L248 HydrophobicContact CD1-CD1 3.81Å; F244-L248 HydrophobicContact CD1-CG 4.43Å; F244-L248 HydrophobicContact CE1-CD1 3.79Å; F244-L248 HydrophobicContact CE1-CG 4.34Å; F244-L248 PolarHBondContact O-N 2.86Å; S245-L248 PolarHBondContact O-N 2.76Å; L248-V251 PolarHBondContact O-N 2.97Å; L248-T252 WeakPolarHBondContact O-CG2 3.49Å; L248-T252 PolarHBondContact O-N 2.86Å
249F90.4Very high84.7Confident134 Ų13495.7 Ų95.759%0.58851%0.512SS*.Hα-helixtrans-62.1-44.5176.7-177.4-101.2000112.4S245 L246 G247 V251 T252 V253S245-F249 WeakPolarHBondContact O-CB 3.45Å; S245-F249 PolarHBondContact O-N 3.17Å; L246-F249 PolarHBondContact O-N 2.95Å; G247-F249 VanDerWaalsContact C-N 3.34Å; G247-F249 PolarHBondContact O-N 3.31Å; F249-V251 VanDerWaalsContact C-N 3.34Å; F249-V251 PolarHBondContact O-N 3.25Å; F249-T252 PolarHBondContact O-N 3.02Å; F249-T252 PolarHBondContact O-OG1 3.11Å; F249-V253 HydrophobicContact CD1-CG2 4.38Å; F249-V253 HydrophobicContact CE1-CG2 4.02Å; F249-V253 HydrophobicContact CE2-CG2 4.46Å; F249-V253 HydrophobicContact CZ-CG2 4.06Å; F249-V253 WeakPolarHBondContact O-CG2 3.47Å; F249-V253 PolarHBondContact O-N 2.83Å
250L92.2Very high84.5Confident96 Ų9699.8 Ų99.850%0.50352%0.519SS..Hα-helixtrans-59.5-43.2174.2-85.9158.9000112.1L246 G247 V253 I254L246-L250 HydrophobicContact CG-CD1 4.39Å; L246-L250 PolarHBondContact O-N 2.95Å; G247-L250 PolarHBondContact O-N 2.89Å; L250-V253 PolarHBondContact O-N 2.89Å; L250-I254 WeakPolarHBondContact O-CD1 3.25Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.21Å; L250-I254 PolarHBondContact O-N 3Å
251V91.3Very high84Confident84 Ų84100.4 Ų100.451%0.50953%0.527SS..Hα-helixtrans-62.9-43.8176.9171.40000111.6G247 L248 F249 V253 I254 V255G247-V251 WeakPolarHBondContact O-CG2 3.48Å; G247-V251 PolarHBondContact O-N 2.71Å; L248-V251 PolarHBondContact O-N 2.97Å; F249-V251 VanDerWaalsContact C-N 3.34Å; F249-V251 PolarHBondContact O-N 3.25Å; V251-V253 PolarHBondContact O-N 2.99Å; V251-I254 PolarHBondContact O-N 3.39Å; V251-V255 HydrophobicContact CG1-CG2 4.44Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 2.87Å
252T86.5Confident83.2Confident78 Ų7897.3 Ų97.348%0.47953%0.525SS..Hα-helixtrans-65.2-39.4178.158.40000112.2L248 F249 V255 V256L248-T252 WeakPolarHBondContact O-CG2 3.49Å; L248-T252 PolarHBondContact O-N 2.86Å; F249-T252 PolarHBondContact O-N 3.02Å; F249-T252 PolarHBondContact O-OG1 3.11Å; T252-V255 PolarHBondContact O-N 2.94Å; T252-V256 WeakPolarHBondContact O-CB 3.49Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.27Å; T252-V256 PolarHBondContact O-N 2.99Å
253V89.6Confident82.2Confident58 Ų58102 Ų10235%0.35253%0.53SS..Hα-helixtrans-61.4-44.1174.3171.90000111.4F249 L250 V251 V256 L257F249-V253 HydrophobicContact CD1-CG2 4.38Å; F249-V253 HydrophobicContact CE1-CG2 4.02Å; F249-V253 HydrophobicContact CE2-CG2 4.46Å; F249-V253 HydrophobicContact CZ-CG2 4.06Å; F249-V253 WeakPolarHBondContact O-CG2 3.47Å; F249-V253 PolarHBondContact O-N 2.83Å; L250-V253 PolarHBondContact O-N 2.89Å; V251-V253 PolarHBondContact O-N 2.99Å; V253-V256 PolarHBondContact O-N 2.83Å; V253-L257 HydrophobicContact CG1-CD1 3.9Å; V253-L257 HydrophobicContact CG1-CG 4.46Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 VanDerWaalsContact O-CG 3.32Å; V253-L257 WeakPolarHBondContact O-CG 3.2Å; V253-L257 PolarHBondContact O-N 3.32Å
254I89.5Confident80.9Confident107 Ų10799.7 Ų99.755%0.54953%0.534SS..Hα-helixtrans-62.7-44.8177.2-69.2163.7000111.3L250 V251 L257 A258L250-I254 WeakPolarHBondContact O-CD1 3.25Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.21Å; L250-I254 PolarHBondContact O-N 3Å; V251-I254 PolarHBondContact O-N 3.39Å; I254-L257 PolarHBondContact O-N 3.19Å; I254-A258 WeakPolarHBondContact O-CB 3.31Å; I254-A258 PolarHBondContact O-N 2.95Å
255V86.9Confident79.3Confident90 Ų90100.7 Ų100.755%0.54554%0.544SS..Hα-helixtrans-62.2-43.5177.3170.20000111.2V251 T252 A258 H259V251-V255 HydrophobicContact CG1-CG2 4.44Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 2.87Å; T252-V255 PolarHBondContact O-N 2.94Å; V255-A258 PolarHBondContact O-N 2.89Å; V255-H259 WeakPolarHBondContact O-CB 3.23Å; V255-H259 PolarHBondContact O-N 2.92Å
256V83.9Confident77.8Confident77 Ų77104.3 Ų104.347%0.46756%0.557SS.*Hα-helixtrans-62.7-46.1176.7168.60000111.2T252 V253 A258 H259 Y260T252-V256 WeakPolarHBondContact O-CB 3.49Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.27Å; T252-V256 PolarHBondContact O-N 2.99Å; V253-V256 PolarHBondContact O-N 2.83Å; V256-A258 PolarHBondContact O-N 2.89Å; V256-H259 PolarHBondContact O-N 2.94Å; V256-H259 VanDerWaalsContact O-N 3.13Å; V256-Y260 HydrophobicContact CG1-CD2 3.73Å; V256-Y260 HydrophobicContact CG1-CE2 3.63Å; V256-Y260 VanDerWaalsContact O-CD2 3.31Å; V256-Y260 WeakPolarHBondContact O-CD2 3.29Å; V256-Y260 PolarHBondContact O-N 3.31Å
257L81.8Confident75.8Confident109 Ų109108.8 Ų108.857%0.57157%0.573SS**Hα-helixtrans-61.6-42.4177-73.4169000112.3V253 I254 H259 Y260 K261V253-L257 HydrophobicContact CG1-CD1 3.9Å; V253-L257 HydrophobicContact CG1-CG 4.46Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 VanDerWaalsContact O-CG 3.32Å; V253-L257 WeakPolarHBondContact O-CG 3.2Å; V253-L257 PolarHBondContact O-N 3.32Å; I254-L257 PolarHBondContact O-N 3.19Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.82Å; L257-Y260 PolarHBondContact O-N 3.49Å; L257-K261 WeakPolarHBondContact O-CB 3.47Å; L257-K261 PolarHBondContact O-N 3.15Å
258A80.4Confident73.9Confident54 Ų54111.1 Ų111.145%0.44660%0.597SS.*Hα-helixtrans-62.5-37.5173.900000112I254 V255 V256 K261 T262I254-A258 WeakPolarHBondContact O-CB 3.31Å; I254-A258 PolarHBondContact O-N 2.95Å; V255-A258 PolarHBondContact O-N 2.89Å; V256-A258 PolarHBondContact O-N 2.89Å; A258-K261 PolarHBondContact O-N 2.72Å; A258-T262 PolarHBondContact O-N 3.45Å; A258-T262 PolarHBondContact O-OG1 2.79Å
259H72.9Confident72.3Confident101 Ų101115.1 Ų115.147%0.46861%0.61SS.*Hα-helixtrans-72.7-32.8179.1-150.6-4.9000113.1V255 V256 L257 T262 R263V255-H259 WeakPolarHBondContact O-CB 3.23Å; V255-H259 PolarHBondContact O-N 2.92Å; V256-H259 PolarHBondContact O-N 2.94Å; V256-H259 VanDerWaalsContact O-N 3.13Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.82Å; H259-T262 WeakPolarHBondContact CA-OG1 3.06Å; H259-T262 PolarHBondContact O-OG1 3.44Å; H259-T262 VanDerWaalsContact O-OG1 3.05Å; H259-R263 WeakPolarHBondContact O-CG 3.46Å; H259-R263 PolarHBondContact O-N 2.61Å
260Y69.2Low70.7Confident171 Ų171114.7 Ų114.767%0.67162%0.62SS**Hα-helixtrans-67.6-44.7168.6-84.4-71000112V256 L257 T262 R263 G264V256-Y260 HydrophobicContact CG1-CD2 3.73Å; V256-Y260 HydrophobicContact CG1-CE2 3.63Å; V256-Y260 VanDerWaalsContact O-CD2 3.31Å; V256-Y260 WeakPolarHBondContact O-CD2 3.29Å; V256-Y260 PolarHBondContact O-N 3.31Å; L257-Y260 PolarHBondContact O-N 3.49Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 2.59Å; Y260-R263 PolarHBondContact O-N 3.36Å; Y260-G264 PolarHBondContact O-N 3.47Å
261K66.3Low68.8Low175 Ų175118 Ų11876%0.76164%0.638SS**Hα-helixtrans-63.4-37.4-179.2-165.9172.4-176.6178.10112.6L257 A258 G264L257-K261 WeakPolarHBondContact O-CB 3.47Å; L257-K261 PolarHBondContact O-N 3.15Å; A258-K261 PolarHBondContact O-N 2.72Å; K261-G264 PolarHBondContact O-N 3.35Å
262T60.5Low66.9Low86 Ų86118.7 Ų118.753%0.52864%0.644SS.*Hα-helixtrans-69.6-40.5173.843.40000112.8A258 H259 Y260 G264 L265A258-T262 PolarHBondContact O-N 3.45Å; A258-T262 PolarHBondContact O-OG1 2.79Å; H259-T262 WeakPolarHBondContact CA-OG1 3.06Å; H259-T262 PolarHBondContact O-OG1 3.44Å; H259-T262 VanDerWaalsContact O-OG1 3.05Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 2.59Å; T262-G264 VanDerWaalsContact C-N 3.28Å; T262-G264 PolarHBondContact O-N 2.98Å; T262-L265 PolarHBondContact O-N 3.26Å
263R57.9Low65.5Low174 Ų174120 Ų12066%0.65765%0.648SS**Hα-helixtrans-66.3-28.5173.8-71.9178.6-173.1-136.61.4113.1H259 Y260 L265H259-R263 WeakPolarHBondContact O-CG 3.46Å; H259-R263 PolarHBondContact O-N 2.61Å; Y260-R263 PolarHBondContact O-N 3.36Å; R263-L265 VanDerWaalsContact C-N 3.29Å; R263-L265 PolarHBondContact O-N 2.84Å
264G56.5Low64Low64 Ų64121.2 Ų121.266%0.6666%0.657SS**Hα-helixtrans-68.3-20.7176.100000115.1Y260 K261 T262Y260-G264 PolarHBondContact O-N 3.47Å; K261-G264 PolarHBondContact O-N 3.35Å; T262-G264 VanDerWaalsContact C-N 3.28Å; T262-G264 PolarHBondContact O-N 2.98Å
265L52.6Low62.6Low155 Ų155119.1 Ų119.181%0.81265%0.652SS**THydrogen-bonded Turntrans-91.72.2-172.5-149.371.2000114.5T262 R263T262-L265 PolarHBondContact O-N 3.26Å; R263-L265 VanDerWaalsContact C-N 3.29Å; R263-L265 PolarHBondContact O-N 2.84Å
266L53.6Low61.4Low148 Ų148121.8 Ų121.878%0.77566%0.658SS**SBendtrans-108.119.9-172.6-80.8168.2000115.2
267K49.1Very low60.3Low191 Ų191126.7 Ų126.783%0.8367%0.67SS**  trans-13474167-75.9-168.1174.6-1780111.8K269K267-K269 PolarHBondContact O-N 2.99Å
268G50.7Low59.5Low82 Ų82125.8 Ų125.885%0.84566%0.661SS**  trans-60.7115.116300000109.9
269K56.5Low58.6Low184 Ų184129.3 Ų129.380%0.867%0.669SS**PPolyproline II helixtrans-86.7141.7165.1-62.8-179.8-178.9-179.80107.7K267K267-K269 PolarHBondContact O-N 2.99Å
270P56.2Low58Low124 Ų124128.5 Ų128.581%0.80567%0.671SS**PPolyproline II helixtrans-60.8140.5172.527.1-33.8000109.8
271L52.4Low57.8Low167 Ų167121 Ų12187%0.87464%0.643SS**PPolyproline II helixtrans-66.9131.1175.9-73163.7000109.3
272P52.8Low57.6Low97 Ų97118.2 Ų118.263%0.6363%0.632SS**PPolyproline II helixtrans-65.7137.1174.828-33.5000110P274P272-P274 WeakPolarHBondContact O-CD 3.36Å
273N55.2Low57.9Low107 Ų107119.3 Ų119.357%0.57264%0.639SS**PPolyproline II helixtrans-69.7120.9-179.8-179.1-2.6000109.8S275N273-S275 VanDerWaalsContact CG-OG 3.23Å; N273-S275 PolarHBondContact ND2-OG 3.12Å; N273-S275 VanDerWaalsContact ND2-OG 3.14Å; N273-S275 PolarHBondContact O-N 2.83Å; N273-S275 VanDerWaalsContact O-N 3.1Å; N273-S275 PolarHBondContact OD1-N 3.23Å; N273-S275 PolarHBondContact OD1-OG 2.71Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å
274P58.4Low58.1Low83 Ų83115.7 Ų115.754%0.53964%0.635SS.*G310 helixtrans-67-11.8-174.726.6-35.5000114.5P272 E276 Y277 F278P272-P274 WeakPolarHBondContact O-CD 3.36Å; P274-E276 PolarHBondContact O-N 3.34Å; P274-Y277 PolarHBondContact O-N 3.14Å; P274-F278 WeakPolarHBondContact O-CD2 3.43Å
275S60.7Low58.5Low62 Ų62115.2 Ų115.243%0.43462%0.616SS.*G310 helixtrans-61.3-26.7-17859.40000114.5N273 Y277 F278N273-S275 VanDerWaalsContact CG-OG 3.23Å; N273-S275 PolarHBondContact ND2-OG 3.12Å; N273-S275 VanDerWaalsContact ND2-OG 3.14Å; N273-S275 PolarHBondContact O-N 2.83Å; N273-S275 VanDerWaalsContact O-N 3.1Å; N273-S275 PolarHBondContact OD1-N 3.23Å; N273-S275 PolarHBondContact OD1-OG 2.71Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å; S275-Y277 VanDerWaalsContact C-N 3.26Å; S275-Y277 PolarHBondContact O-N 2.83Å; S275-F278 PolarHBondContact O-N 3Å
276E62.1Low59.2Low146 Ų146116.5 Ų116.568%0.68262%0.618SS**G310 helixtrans-69.1-22.7-179.9-65.4-167.7164.100113.4P274 F278P274-E276 PolarHBondContact O-N 3.34Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.26Å
277Y61Low59.8Low180 Ų180111 Ų11171%0.70660%0.597SS**G310 helixtrans-79.1-10179.8-63.2-78.7000113.9P274 S275P274-Y277 PolarHBondContact O-N 3.14Å; S275-Y277 VanDerWaalsContact C-N 3.26Å; S275-Y277 PolarHBondContact O-N 2.83Å
278F64.4Low60.9Low90 Ų90105 Ų10540%0.39557%0.574SS.*G310 helixtrans-116.422.4-173.6-64-77000113.9P274 S275 E276 T280 L281 H282P274-F278 WeakPolarHBondContact O-CD2 3.43Å; S275-F278 PolarHBondContact O-N 3Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.26Å; F278-T280 VanDerWaalsContact C-N 3.32Å; F278-T280 PolarHBondContact O-N 3.07Å; F278-L281 HydrophobicContact CB-CB 4.32Å; F278-L281 VanDerWaalsContact O-CB 3.32Å; F278-L281 WeakPolarHBondContact O-CB 3.46Å; F278-L281 PolarHBondContact O-N 3.3Å; F278-H282 PolarHBondContact O-CD2 2.85Å; F278-H282 PolarHBondContact O-N 3.01Å
279Q62.2Low61.7Low129 Ų129105.1 Ų105.160%0.60356%0.555SS**Hα-helixtrans-50.9-47.8-178.6-70.1-175.112.400112.8L281 H282 T283Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.79Å; Q279-H282 PolarHBondContact O-N 3.19Å; Q279-H282 VanDerWaalsContact O-N 3.12Å; Q279-T283 PolarHBondContact O-N 2.84Å; Q279-T283 PolarHBondContact O-OG1 2.84Å
280T60.3Low62.2Low84 Ų84104.7 Ų104.752%0.51555%0.553SS.*Hα-helixtrans-60.7-34.2-179.6-370000113.3F278 V284F278-T280 VanDerWaalsContact C-N 3.32Å; F278-T280 PolarHBondContact O-N 3.07Å; T280-V284 HydrophobicContact CG2-CB 4.42Å; T280-V284 HydrophobicContact CG2-CG2 3.83Å; T280-V284 WeakPolarHBondContact O-CB 3.1Å; T280-V284 PolarHBondContact O-N 2.96Å
281L64.5Low62.6Low14 Ų14104.1 Ų104.17%0.07354%0.54CS..Hα-helixtrans-63.8-44.5176.5-177.475.8000110.7F278 Q279 H285 Q286 G287 L289 W292F278-L281 HydrophobicContact CB-CB 4.32Å; F278-L281 VanDerWaalsContact O-CB 3.32Å; F278-L281 WeakPolarHBondContact O-CB 3.46Å; F278-L281 PolarHBondContact O-N 3.3Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.79Å; L281-H285 CarbonylContact O-C 3.55Å; L281-H285 PolarHBondContact O-N 3.34Å; L281-Q286 PolarHBondContact O-N 2.69Å; L281-Q286 VanDerWaalsContact O-N 3.15Å; L281-G287 PolarHBondContact O-N 3.24Å; L281-L289 HydrophobicContact CD1-CB 4.22Å; L281-L289 HydrophobicContact CD1-CD1 4.06Å; L281-L289 HydrophobicContact CD1-CG 4.46Å; L281-L289 HydrophobicContact CD2-CD1 3.94Å; L281-W292 HydrophobicContact CD1-CB 3.89Å; L281-W292 HydrophobicContact CD1-CD2 4.3Å; L281-W292 HydrophobicContact CD1-CE3 4.27Å; L281-W292 HydrophobicContact CD1-CG 4.16Å
282H61.7Low63.4Low116 Ų116101.6 Ų101.654%0.53752%0.518SS..Hα-helixtrans-79.8-30.7-177.3-69.6-71.2000113.4F278 Q279 Q286F278-H282 PolarHBondContact O-CD2 2.85Å; F278-H282 PolarHBondContact O-N 3.01Å; Q279-H282 PolarHBondContact O-N 3.19Å; Q279-H282 VanDerWaalsContact O-N 3.12Å; H282-Q286 WeakPolarHBondContact O-CA 3.17Å
283T66.6Low64Low109 Ų109102.5 Ų102.567%0.66952%0.517SS*.Hα-helixtrans-88-37.3-179.9540000114.2Q279Q279-T283 PolarHBondContact O-N 2.84Å; Q279-T283 PolarHBondContact O-OG1 2.84Å
284V63Low64.2Low97 Ų97102.2 Ų102.259%0.58852%0.516SS*.Hα-helixtrans-96.7-40.8-175.7-174.80000112.2T280T280-V284 HydrophobicContact CG2-CB 4.42Å; T280-V284 HydrophobicContact CG2-CG2 3.83Å; T280-V284 WeakPolarHBondContact O-CB 3.1Å; T280-V284 PolarHBondContact O-N 2.96Å
285H64.4Low64.1Low54 Ų54102.8 Ų102.825%0.2552%0.52CS..SBendtrans-109.59.4-176.8-63.2-81.5000113.8L281 G287 N288 W292L281-H285 CarbonylContact O-C 3.55Å; L281-H285 PolarHBondContact O-N 3.34Å; H285-G287 PolarHBondContact O-N 2.93Å; H285-N288 VanDerWaalsContact O-CB 3.29Å; H285-N288 WeakPolarHBondContact O-CB 3.33Å; H285-N288 PolarHBondContact O-N 3.09Å; H285-W292 AromaticContact CD2-CD1 3.66Å; H285-W292 AromaticContact NE2-CD1 3.74Å
286Q67.8Low63.4Low183 Ų183109.2 Ų109.286%0.85554%0.54SS*.THydrogen-bonded Turntrans49.828.7-179.1-60.5-172.4-4.200114.8L281 H282L281-Q286 PolarHBondContact O-N 2.69Å; L281-Q286 VanDerWaalsContact O-N 3.15Å; H282-Q286 WeakPolarHBondContact O-CA 3.17Å
287G66.3Low62.8Low33 Ų33107.6 Ų107.634%0.3455%0.545SS..THydrogen-bonded Turntrans93.5-4-176.500000115.6L281 H285 L289L281-G287 PolarHBondContact O-N 3.24Å; H285-G287 PolarHBondContact O-N 2.93Å; G287-L289 PolarHBondContact O-N 3.01Å
288N71.1Confident61.8Low65 Ų65101.9 Ų101.935%0.34854%0.541SS..  trans-7786-179.4-171.31.2000112.5H285 K290 E291 W292H285-N288 VanDerWaalsContact O-CB 3.29Å; H285-N288 WeakPolarHBondContact O-CB 3.33Å; H285-N288 PolarHBondContact O-N 3.09Å; N288-K290 PolarHBondContact O-N 3.48Å; N288-K290 VanDerWaalsContact O-N 3.11Å; N288-K290 PolarHBondContact OD1-N 3.13Å; N288-E291 WeakPolarHBondContact ND2-CG 3.37Å; N288-E291 PolarHBondContact ND2-OE1 3.22Å; N288-E291 PolarHBondContact ND2-OE2 3.45Å; N288-E291 PolarHBondContact O-N 3.27Å; N288-W292 PolarHBondContact O-N 3.1Å
289L67.9Low60.6Low84 Ų84103.9 Ų103.944%0.4456%0.561SS.*Hα-helixtrans-58.5-23.5179.8-160.6108.1000114L281 G287 W292 L293L281-L289 HydrophobicContact CD1-CB 4.22Å; L281-L289 HydrophobicContact CD1-CD1 4.06Å; L281-L289 HydrophobicContact CD1-CG 4.46Å; L281-L289 HydrophobicContact CD2-CD1 3.94Å; G287-L289 PolarHBondContact O-N 3.01Å; L289-W292 HydrophobicContact CD1-CE3 4.42Å; L289-L293 HydrophobicContact CD2-CD1 3.72Å; L289-L293 HydrophobicContact CG-CD1 4.11Å; L289-L293 WeakPolarHBondContact O-CG 3.33Å; L289-L293 PolarHBondContact O-N 3.41Å
290K66.8Low59.3Low174 Ų174106 Ų10676%0.75757%0.57SS**Hα-helixtrans-73.9-29.8-178.3-170.1178.2177.4-175.20112.9N288N288-K290 PolarHBondContact O-N 3.48Å; N288-K290 VanDerWaalsContact O-N 3.11Å; N288-K290 PolarHBondContact OD1-N 3.13Å
291E64.2Low58.3Low113 Ų113106.4 Ų106.453%0.52858%0.577SS.*Hα-helixtrans-83.8-40.8176.5-76169.8-171.200111.6N288 L293 N294N288-E291 WeakPolarHBondContact ND2-CG 3.37Å; N288-E291 PolarHBondContact ND2-OE1 3.22Å; N288-E291 PolarHBondContact ND2-OE2 3.45Å; N288-E291 PolarHBondContact O-N 3.27Å; E291-L293 PolarHBondContact O-N 3.3Å; E291-N294 PolarHBondContact O-N 3.44Å; E291-N294 VanDerWaalsContact O-N 3.08Å
292W69.6Low56.9Low113 Ų113115.3 Ų115.343%0.42862%0.615SS.*Hα-helixtrans-57.9-35.7177.2-179.459.3000112.9L281 H285 N288 L289L281-W292 HydrophobicContact CD1-CB 3.89Å; L281-W292 HydrophobicContact CD1-CD2 4.3Å; L281-W292 HydrophobicContact CD1-CE3 4.27Å; L281-W292 HydrophobicContact CD1-CG 4.16Å; H285-W292 AromaticContact CD2-CD1 3.66Å; H285-W292 AromaticContact NE2-CD1 3.74Å; N288-W292 PolarHBondContact O-N 3.1Å; L289-W292 HydrophobicContact CD1-CE3 4.42Å
293L66.4Low55.9Low116 Ų116117.7 Ų117.761%0.60763%0.631SS**THydrogen-bonded Turntrans-82.9-4.5178.9-69.3175.5000114.8L289 E291L289-L293 HydrophobicContact CD2-CD1 3.72Å; L289-L293 HydrophobicContact CG-CD1 4.11Å; L289-L293 WeakPolarHBondContact O-CG 3.33Å; L289-L293 PolarHBondContact O-N 3.41Å; E291-L293 PolarHBondContact O-N 3.3Å
294N59.3Low54.5Low102 Ų102118 Ų11855%0.54563%0.632SS.*  trans-140.159.4-173.6-162.725.9000114.1E291 F296E291-N294 PolarHBondContact O-N 3.44Å; E291-N294 VanDerWaalsContact O-N 3.08Å; N294-F296 PolarHBondContact O-N 3.4Å
295P56.4Low53.4Low94 Ų94119.8 Ų119.861%0.6164%0.644SS**  trans-66.512417529.2-34.4000111.1
296F46.4Very low52.4Low197 Ų197122.1 Ų122.186%0.86466%0.664SS**  trans66.282176.3-53.7-77000116.8N294 G298N294-F296 PolarHBondContact O-N 3.4Å; F296-G298 PolarHBondContact O-N 2.73Å; F296-G298 VanDerWaalsContact O-N 3.07Å
297S47.8Very low50.8Low113 Ų113118.1 Ų118.179%0.7966%0.656SS**  trans-66.298.4147.8-64.10000109
298G41.7Very low49.2Very low60 Ų60122.8 Ų122.862%0.61968%0.682SS**  trans-153.559.9-164.900000116.5F296F296-G298 PolarHBondContact O-N 2.73Å; F296-G298 VanDerWaalsContact O-N 3.07Å
299T38.3Very low47.5Very low132 Ų132125.5 Ų125.581%0.8170%0.697SS**  trans64.7114.3152.9-47.30000120
300Q34.8Very low46.3Very low172 Ų172130 Ų13080%0.80472%0.715SS**  trans59.4104154.3-71.9-175.4-18.200120.8
301S38.5Very low44.9Very low93 Ų93129.8 Ų129.865%0.6572%0.721SS**  40.1120.512962.10000120.9
302F35.8Very low43.4Very low202 Ų202129.7 Ų129.789%0.88673%0.732SS**  -147117.4118.7-98.7-71.1000110.9V304F302-V304 HydrophobicContact CD1-CG2 4.27Å
303L41Very low41.7Very low166 Ų166132.3 Ų132.387%0.86975%0.749SS**  trans-85.8115.7161.5-89.3168.6000107.7
304V37.4Very low40.3Very low114 Ų114132 Ų13269%0.69175%0.752SS**  trans-140.4103.3167.7-173.10000108.4F302 P306F302-V304 HydrophobicContact CD1-CG2 4.27Å; V304-P306 WeakPolarHBondContact O-CD 3.42Å
305T40.5Very low39.4Very low136 Ų136133.8 Ų133.883%0.83477%0.766SS**  trans-107.7111.9174.5-14.70000110.1
306P43.5Very low38.4Very low102 Ų102134.8 Ų134.866%0.66277%0.77SS**  trans-134.6160.1156.237.2-23000111.4V304V304-P306 WeakPolarHBondContact O-CD 3.42Å
307S32.5Very low37.7Very low100 Ų100131 Ų13170%0.69977%0.767SS**  cis-167.8146.3-26.747.50000105.7
308C34.5Very low37Very low130 Ų130134.4 Ų134.488%0.87877%0.77SS**  trans-14585.5166.6-159.40000110.2
309D34.7Very low36.6Very low123 Ų123137.4 Ų137.466%0.65877%0.772SS**  trans-58.5163.5153.5-55.3-75.8000109.4
310Q42.2Very low36.4Very low177 Ų177142.8 Ų142.883%0.82778%0.778SS**  cis-153.5149.917.6-152.8158.953.500110.6
311I36.9Very low36.1Very low171 Ų171140.5 Ų140.588%0.87777%0.771SS**  trans-118.6129.6172.7-62.4173.3000108.8
312S33.1Very low35.8Very low110 Ų110145.7 Ų145.777%0.76979%0.785SS**  trans-171144.7173.9-178.30000110.1
313H34.9Very low35.5Very low168 Ų168140.3 Ų140.378%0.77878%0.778SS**  cis-156.2157.2-31.3-170.4-86.9000107.2
314V37.3Very low35Very low111 Ų111139.2 Ų139.267%0.67378%0.778SS**  trans-78.7144.1177.7174.30000111.4V316V314-V316 HydrophobicContact CG1-CG2 4.04Å
315V38.6Very low34.5Very low138 Ų138139 Ų13984%0.83678%0.782SS**  trans-135.3136.8162.1-179.90000108.7
316V36.6Very low33.9Very low116 Ų116138.5 Ų138.570%0.70378%0.783SS**  trans-139.7129.3175.4174.90000108.7V314V314-V316 HydrophobicContact CG1-CG2 4.04Å
317C30.5Very low33.1Very low117 Ų117138.5 Ų138.579%0.79179%0.786SS**  trans-167119.3151.9-92.10000104.5
318E33Very low32.8Very low185 Ų185138.9 Ų138.986%0.86479%0.789SS**  82.1141.471.2-72.9-147.8154.600114.1
319D34.8Very low33.2Very low123 Ų123137.8 Ų137.866%0.65878%0.78SS**  trans-90.4134.9-160.5171.843.2000112.7
320W33.3Very low32.8Very low245 Ų245138.1 Ų138.193%0.92879%0.786SS**  trans-144.7134.2159-89.194.3000112.1
321N28.9Very low32.2Very low124 Ų124134.2 Ų134.266%0.66378%0.778SS**  trans-89.3128.9176.8-55.7-96.5000109.4
322E31.4Very low31.8Very low202 Ų202133.9 Ų133.994%0.94478%0.777SS**  trans-164.3167.9133.9-117.3177.5173.800112.6
323A30.6Very low31.6Very low88 Ų88132.7 Ų132.773%0.72777%0.774SS**  trans-91.6155.9-176.300000112.3
324V30Very low31.4Very low143 Ų143130.6 Ų130.687%0.86777%0.773SS**  -172.6146.3117.7141.60000111.4
325S26.3Very low31.1Very low111 Ų111130.2 Ų130.278%0.77678%0.775SS**  trans-57.9146.2176.2-41.90000114.5
326S27.4Very low31Very low124 Ų124129.1 Ų129.187%0.86777%0.771SS**  trans-163.1165.513246.20000112.6
327S27.4Very low30.7Very low103 Ų103131.5 Ų131.572%0.7278%0.779SS**  trans-81.1147.8-168.4500000115.5
328S26.6Very low30.8Very low108 Ų108133.9 Ų133.976%0.75578%0.783SS**  14.2152.7120.6-47.40000119.3
329P42.1Very low30.5Very low107 Ų107133.2 Ų133.270%0.69578%0.779SS**  cis-151.5176.333.939.9-18.2000119.5
330T27.7Very low30.1Very low130 Ų130137.6 Ų137.680%0.79879%0.793SS**  trans67.6150155.626.10000118.2
331S29.5Very low29.9Very low94 Ų94133.5 Ų133.566%0.65778%0.784SS**  cis-149.2143.66.1-86.80000113.5
332I27.1Very low29.7Very low165 Ų165138.6 Ų138.685%0.84679%0.793SS**  trans33.3114.1138.4-50.4166.3000119.6
333A28.6Very low29.7Very low85 Ų85139.4 Ų139.470%0.70279%0.789SS**  176.9133.2118.700000115.7
334T30.8Very low29.8Very low124 Ų124140.7 Ų140.776%0.76179%0.79SS**  trans37.998.5148.154.70000122.7
335S30.8Very low29.8Very low103 Ų103140.6 Ų140.672%0.7279%0.791SS**  50.8157.5113.369.10000123.3
336P36.9Very low29.9Very low114 Ų114140.6 Ų140.674%0.7479%0.79SS**  cis-140131.5-36.535.2-17000113.7
337L30.5Very low29.9Very low166 Ų166139.9 Ų139.987%0.86978%0.784SS**  trans-137.2138.1165.8-88.9177.2000114.3H339L337-H339 PolarHBondContact O-N 3.04Å
338L32.4Very low30Very low167 Ų167140 Ų14087%0.87479%0.785SS**  trans-17.9110.2173.2-61.4167.7000116.8
339H26.3Very low30.1Very low172 Ų172141.4 Ų141.480%0.79678%0.784SS**  trans-132.4120.4154.7-107.8-83.3000110.7L337 H341L337-H339 PolarHBondContact O-N 3.04Å; H339-H341 PolarHBondContact O-N 3.32Å
340F27.4Very low29.4Very low215 Ų215142.1 Ų142.194%0.94378%0.782SS**  trans-67.8117.3154.5-84.4-93000107.3
341H28.9Very low29.5Very low159 Ų159143.7 Ų143.774%0.73679%0.785SS**  trans-119.3122.3166.6-139.2-67.2000112.2H339H339-H341 PolarHBondContact O-N 3.32Å
342R25.8Very low29.5Very low230 Ų230142.9 Ų142.987%0.86879%0.792SS**PPolyproline II helixtrans-66130.3167.4-168.7-176.3-154.3153.22.6108.2
343Y31Very low29.6Very low219 Ų219142.5 Ų142.586%0.85979%0.791SS**PPolyproline II helixtrans-77149.9175.7-88-89.9000111.9
344P32.6Very low29.6Very low115 Ų115144.4 Ų144.475%0.74779%0.788SS**PPolyproline II helixtrans-97.3170.2-171.639.1-36000113.6
345T28.6Very low29.6Very low142 Ų142148.6 Ų148.687%0.87179%0.791SS**PPolyproline II helixtrans-102.5136.7167.746.60000111.5
346S30.1Very low29.5Very low110 Ų110150 Ų15077%0.76979%0.791SS**PPolyproline II helixtrans-73.5143.4178.1177.20000113.7
347C26.1Very low29.2Very low109 Ų109149.8 Ų149.874%0.73679%0.792SS**  trans-15.1151.6136.8-52.30000116
348S29.8Very low29.1Very low106 Ų106147.2 Ų147.274%0.74179%0.788SS**  cis-172.3-166-2.449.90000108.2
349N28.1Very low29Very low137 Ų137145.3 Ų145.373%0.73379%0.789SS**  cis-162.8-177.710.4-151.2-3.1000112.6
350N29.1Very low29.2Very low122 Ų122145.4 Ų145.465%0.65279%0.794SS**  trans75.4123.8157.2-68.5-0.2000121.4
351N29.1Very low29.4Very low163 Ų163141 Ų14187%0.87279%0.79SS**  trans50114.3145.8-623.5000121.1
352G29Very low29.5Very low77 Ų77138.3 Ų138.379%0.79479%0.789SS**  trans160.878.2155.800000119
353L29.8Very low29.9Very low157 Ų157136.9 Ų136.982%0.82279%0.79SS**  trans45.298.4141.4-142.874.9000121.5
354I29Very low29.8Very low125 Ų125131.6 Ų131.664%0.64178%0.784SS**  trans72.9140130.8-66.1178.5000121.5
355Y29.9Very low29.8Very low212 Ų212133.4 Ų133.483%0.83179%0.788SS**  trans57.8106.8175.3-59.7-48000117.5
356N29.8Very low30Very low133 Ų133133.2 Ų133.271%0.71179%0.786SS**  cis81.595.849-171.740.9000115
357S30.8Very low30.2Very low109 Ų109130.7 Ų130.776%0.76278%0.778SS**  -173.7131.2110.4-76.70000111
358S28.2Very low30.5Very low112 Ų112136.7 Ų136.778%0.78379%0.786SS**  trans-97.3155.2176.2-53.60000111.7
359S30.1Very low30.8Very low128 Ų128141.1 Ų141.190%0.89579%0.793SS**  trans-162.7106.2140.4-85.50000111.5
360L31Very low30.8Very low173 Ų173143.2 Ų143.291%0.90680%0.8SS**  trans-87.5146.4152.8-75.9162.8000107.9
361S30Very low31Very low122 Ų122142.8 Ų142.885%0.85381%0.807SS**  trans-149.8148.1152.863.40000110.5
362S31.7Very low31.1Very low103 Ų103141.3 Ų141.372%0.7281%0.809SS**  trans-136.1119.1-179.3-66.10000108.6
363F34.7Very low31.2Very low201 Ų201143.1 Ų143.188%0.88281%0.81SS**  trans34.3126.6160.9-57.3-76.9000120.7
364S27.4Very low31.3Very low107 Ų107141.9 Ų141.975%0.74881%0.814SS**  trans-144.3145.5145.4-173.90000110.1
365N33.7Very low31.3Very low154 Ų154139.6 Ų139.682%0.82482%0.821SS**  trans-121.2112.7176.8-74-42.5000109.4
366V33.6Very low31.4Very low138 Ų138133.5 Ų133.584%0.83682%0.823SS**  trans-140.6146.2165-174.80000107.7
367G32.4Very low31.3Very low57 Ų57131 Ų13159%0.58883%0.828SS**  trans-126.2-153.1-178.500000113.7
368Y34.3Very low31.3Very low235 Ų235131.8 Ų131.892%0.92283%0.834SS**  trans87.8155.5-176.1-63.2-79000117.1
369F34.8Very low31.5Very low198 Ų198130.9 Ų130.987%0.86883%0.833SS**  trans-91.3141.4-164.2-67.1-110.8000112.3
370M28.9Very low31.6Very low182 Ų182135.1 Ų135.190%0.89783%0.83SS**  -170.8159.9115.3-103-61.1169.900111.6
371S33Very low31.7Very low113 Ų113133 Ų13379%0.7983%0.825SS**  trans-90.2147.1-178.8-55.90000112.6
372S30.1Very low31.7Very low132 Ų132132.9 Ų132.992%0.92381%0.814SS**  trans-145.2130.2161.4-78.80000109.5
373S31.8Very low31.6Very low114 Ų114132.5 Ų132.580%0.79781%0.811SS**  trans-114.9130.4-170.256.30000113.5
374S32.9Very low31.3Very low131 Ų131130.6 Ų130.692%0.91681%0.81SS**  trans-166.6132.8160.3-79.60000108.7
375G29.1Very low32.5Very low77 Ų77131 Ų13179%0.79481%0.81SS**  cis-174.7157.6-6.800000111.6
376G30.3Very low32.2Very low84 Ų84128 Ų12887%0.86681%0.807SS**  trans86.4127-172.700000112.5
377G28.7Very low31.9Very low80 Ų80130.4 Ų130.483%0.82580%0.803SS**  cis100.9119.512.400000110
378S31.7Very low31.7Very low126 Ų126136.2 Ų136.288%0.88181%0.812SS**  cis-152.4176.211.1-144.80000108.9
379A32.3Very low31.3Very low93 Ų93128.7 Ų128.777%0.76980%0.799SS**  cis-154-150.417.600000113.8
380R31.6Very low30.9Very low217 Ų217129.7 Ų129.782%0.81980%0.798SS**  trans-77.8167177.9-87.2174.8162.6139.1-3.8113.2
381T33.2Very low30.8Very low130 Ų130129.1 Ų129.180%0.79879%0.793SS**  cis-138138.831.6470000117.6
382D28.9Very low30.6Very low119 Ų119129.6 Ų129.664%0.63679%0.787SS**  trans-19.1161.8134.9-76.3-71.9000119.5
383S29.5Very low30.5Very low94 Ų94128.3 Ų128.366%0.65777%0.77SS**  cis-166.6149.8-7.2-121.90000113.8
384N28.6Very low30.4Very low162 Ų162133.1 Ų133.187%0.86678%0.777SS**  trans55.9165.5146.7-99.5-0.1000124.2
385P52.3Low30.5Very low114 Ų114134.1 Ų134.174%0.7477%0.767SS**  trans-120.3162.9-165.643.5-33.3000117.3
386A28Very low30.4Very low93 Ų93138.2 Ų138.277%0.76977%0.771SS**  trans-177.415817100000108.4
387Y27.4Very low30.5Very low187 Ų187138.5 Ų138.573%0.73377%0.765SS**  cis-167.1158.6-19.3-133.4-84.5000107.7
388F28.6Very low31.3Very low179 Ų179139.7 Ų139.779%0.78576%0.758SS**  trans63.1146.7174.1-50.7-70.2000117.1
389A26.3Very low31.2Very low78 Ų78141.3 Ų141.365%0.64575%0.751SS**  cis108.2110.7500000116.5
390Y25Very low31.2Very low218 Ų218143.2 Ų143.286%0.85575%0.747SS**  trans61.5160.7172.9-72.1-94.6000115.6
391Q28.2Very low31.2Very low171 Ų171141.4 Ų141.480%0.79975%0.747SS**  cis-147.3123.915.7-162.4159.3-36.900108.8
392D28.3Very low30.9Very low123 Ų123138.4 Ų138.466%0.65874%0.742SS**  57.3136.495.6-163.940.2000118.4
393N28.3Very low31Very low104 Ų104139.1 Ų139.156%0.55675%0.746SS**  trans56.1121.7163.8-100.6-57.6000121.7
394F29.1Very low30.9Very low216 Ų216143.1 Ų143.195%0.94775%0.754SS**  -152.8132.4125-98.4-67.9000111.1
395Q34.3Very low31Very low152 Ų152143.4 Ų143.471%0.7175%0.747SS**  trans-99144.9165.3-63.5176-8.400109.1
396N28.4Very low31Very low163 Ų163142.7 Ų142.787%0.87274%0.743SS**  trans158142.6135.5-79.9-26.8000113.6
397A32.5Very low31Very low89 Ų89146.5 Ų146.574%0.73675%0.749SS**  trans-100.2-180155.100000107.8
398P45.6Very low31Very low105 Ų105143.4 Ų143.468%0.68275%0.754SS**  cis-148-167.718.934-7.1000117.5
399H30Very low31.1Very low160 Ų160142.1 Ų142.174%0.74176%0.755SS**  trans74.3102.2155.8-65.7-54.3000124.1
400I30.3Very low32.2Very low133 Ų133143.4 Ų143.468%0.68276%0.757SS**  35.4122.6117.6-48.3167.7000120
401H31.9Very low32.4Very low179 Ų179141.2 Ų141.283%0.82976%0.759SS**  178.2144.8114.3-104.5-70.5000116.9
402G26.7Very low32.4Very low67 Ų67137.3 Ų137.369%0.69176%0.756SS**  trans98.8150.2153.800000118
403L31.7Very low32.3Very low135 Ų135137 Ų13771%0.70776%0.763SS**  cis163117.8-41-99.8167.3000108.5F405L403-F405 HydrophobicContact CD2-CE2 4.28Å
404H27.4Very low32.4Very low178 Ų178142.2 Ų142.282%0.82478%0.777SS**  -179.9122.2125.8-111-94.4000115.7
405F31.4Very low33.1Very low167 Ų167138 Ų13873%0.73277%0.771SS**  trans-20.9178.3150.5-72-73000122.5L403L403-F405 HydrophobicContact CD2-CE2 4.28Å
406P51.8Low32.9Very low100 Ų100138.7 Ų138.765%0.64977%0.774SS**  cis-140.3170.5-17.230.5-9.9000117
407L28.1Very low32.9Very low172 Ų172139.9 Ų139.990%0.90177%0.768SS**  -164.6-179.3121.9-132.271.8000112.2
408C27.8Very low32.8Very low122 Ų122142.7 Ų142.782%0.82477%0.766SS**  trans-122.9160.9-155.3-55.60000117.6
409D29.4Very low32Very low153 Ų153142.2 Ų142.282%0.81877%0.765SS**  trans-66.9-175.4162.7-104-44.9000113.7
410P50Low32Very low105 Ų105141.3 Ų141.368%0.68277%0.765SS**  cis-143.9172.91727.6-1.4000119
411L28.8Very low31.9Very low171 Ų171143.3 Ų143.390%0.89577%0.769SS**  178170.5114.5-117.888.8000115
412A29.4Very low31.9Very low89 Ų89144.8 Ų144.874%0.73677%0.767SS**  trans-99.5164.5-172.300000114.5
413S25.1Very low32Very low117 Ų117148.5 Ų148.582%0.81877%0.766SS**  -179.3173.274.551.10000114.3
414Y30.3Very low32.2Very low214 Ų214148.3 Ų148.384%0.83977%0.773SS**  trans-99.3159.6172.3-107.9-88.9000110.4
415P44.4Very low32.3Very low127 Ų127148.2 Ų148.283%0.82577%0.773SS**  -151.7-168.683.742.5-22.7000116.2
416E30.4Very low32.6Very low166 Ų166145.6 Ų145.678%0.77678%0.775SS**  trans-123169.4-176.8-171.9-178.8164.300110.8
417Y28Very low32.5Very low189 Ų189146.5 Ų146.574%0.74178%0.782SS**  trans105.4145151-134.8-114.5000121.8
418E30.5Very low32.6Very low147 Ų147145.3 Ų145.369%0.68778%0.776SS**  trans65.289.7157.5-100.4173.2-176.300126.7
419S29.2Very low33.1Very low96 Ų96145.2 Ų145.267%0.67178%0.777SS**  76.1156.4111.785.50000126.3
420L29.6Very low33.6Very low141 Ų141141.1 Ų141.174%0.73877%0.77SS**  trans86.7115.9153-69.7170.6000123.4
421K28.3Very low33Very low174 Ų174146.4 Ų146.476%0.75778%0.783SS**  trans70.3152152-66.6170.9179.2169.10116.7
422R30.9Very low33.2Very low211 Ų211142.1 Ų142.180%0.79678%0.78SS**  cis-153.4176.411-143.1-172.6-148.4125.5-5.4111.3
423E30Very low33.7Very low144 Ų144145.7 Ų145.767%0.67379%0.785SS**  trans-32.7156.5165.4-96.669.5-169.100117.6E425E423-E425 HydrophobicContact CB-CG 4.35Å; E423-E425 HydrophobicContact CG-CG 4.04Å
424P34.9Very low34.3Very low132 Ų132146.5 Ų146.586%0.85778%0.777SS**  -111.8152.2100.433.3-36.3000114
425E30.7Very low34.9Very low175 Ų175144.3 Ų144.382%0.81877%0.772SS**  trans-86.3160.6-173-65.1173.7120.200114.6E423E423-E425 HydrophobicContact CB-CG 4.35Å; E423-E425 HydrophobicContact CG-CG 4.04Å
426S36.3Very low35.2Very low112 Ų112145.1 Ų145.178%0.78377%0.765SS**  trans-43.5165.716126.80000115.5
427P50.2Low36Very low120 Ų120142.3 Ų142.378%0.77976%0.755SS**  cis-142.9-168.439.947.5-28.4000114.5
428D30.7Very low36.9Very low146 Ų146139.7 Ų139.778%0.78175%0.75SS**  cis-150.1155.74.3-163.42.4000110.6
429S38.5Very low37.5Very low121 Ų121139.5 Ų139.585%0.84675%0.751SS**  trans145.194.2158.1-72.10000111.2
430G40.2Very low38.3Very low66 Ų66140.5 Ų140.568%0.6874%0.743SS**  trans-95.4137.4177.500000114.2
431F37.1Very low39.2Very low217 Ų217138.3 Ų138.395%0.95273%0.729SS**  trans-137.4129.3145.7-96.2-80.9000108.4
432G33.3Very low39.9Very low80 Ų80133.8 Ų133.883%0.82572%0.716SS**PPolyproline II helixtrans-80.2134.9-168.100000113.7
433I38.6Very low40.5Very low164 Ų164132.6 Ų132.684%0.84171%0.712SS**PPolyproline II helixtrans-85.9117.5166.5-61.7175.9000108.3
434M38.4Very low40.9Very low134 Ų134132.7 Ų132.766%0.6671%0.706SS**PPolyproline II helixtrans-69.6136.9173.1-175.1176.3175.900109.9E438M434-E438 HydrophobicContact CE-CB 4.31Å; M434-E438 WeakPolarHBondContact CE-OE2 3.43Å
435K42.7Very low41.2Very low168 Ų168130.9 Ų130.973%0.7369%0.692SS**PPolyproline II helixtrans-80140.8-177.8-70.4-177.6175.3-179.60112D437K435-D437 PolarHBondContact O-N 2.96Å
436E50Low41.9Very low144 Ų144128.4 Ų128.467%0.67368%0.683SS**THydrogen-bonded Turntrans-52.6-16.7178.4-99.581.1-17500117.2
437D47.8Very low42.1Very low107 Ų107126.8 Ų126.857%0.57267%0.672SS**THydrogen-bonded Turntrans-79.6-25.1-169.1-63.8-46.4000114K435 K440K435-D437 PolarHBondContact O-N 2.96Å; D437-K440 PolarHBondContact O-N 3.16Å; D437-K440 IonicContact OD1-NZ 3.38Å; D437-K440 PolarHBondContact OD1-NZ 3.11Å
438E46.4Very low41.6Very low135 Ų135131.2 Ų131.263%0.63167%0.673SS**Hα-helixtrans-75.6-26.6-176.8-158.4164.3-141.600113M434 K440 T442M434-E438 HydrophobicContact CE-CB 4.31Å; M434-E438 WeakPolarHBondContact CE-OE2 3.43Å; E438-K440 VanDerWaalsContact C-N 3.31Å; E438-K440 PolarHBondContact O-N 3.18Å; E438-T442 PolarHBondContact O-N 2.76Å; E438-T442 PolarHBondContact O-OG1 3.45Å
439M44.2Very low41.9Very low142 Ų142132.9 Ų132.970%0.768%0.676SS**Hα-helixtrans-72.5-22.3177.1-168.4169.469.700113.1T442 W443M439-T442 WeakPolarHBondContact CA-OG1 3.35Å; M439-T442 PolarHBondContact O-OG1 3.49Å; M439-W443 PolarHBondContact O-N 3.09Å
440K46.3Very low42Very low117 Ų117130.4 Ų130.451%0.50967%0.67SS.*Hα-helixtrans-76.9-34177.9-69.1169.8-168.6149.80112D437 E438 R444D437-K440 PolarHBondContact O-N 3.16Å; D437-K440 IonicContact OD1-NZ 3.38Å; D437-K440 PolarHBondContact OD1-NZ 3.11Å; E438-K440 VanDerWaalsContact C-N 3.31Å; E438-K440 PolarHBondContact O-N 3.18Å; K440-R444 PolarHBondContact O-N 2.91Å
441E46.8Very low41.9Very low96 Ų96136.5 Ų136.545%0.44968%0.681SS.*Hα-helixtrans-77.3-38.9-178.4-144.459.7-11900111.6W443 R444 V445E441-W443 VanDerWaalsContact C-N 3.32Å; E441-W443 PolarHBondContact O-N 3.07Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-R444 VanDerWaalsContact O-N 3.16Å; E441-R444 IonicContact OE1-CZ 3.61Å; E441-R444 IonicContact OE1-NH1 3.86Å; E441-R444 PolarHBondContact OE1-NH1 2.91Å; E441-R444 IonicContact OE2-CZ 2.8Å; E441-R444 IonicContact OE2-NH1 2.72Å; E441-R444 PolarHBondContact OE2-NH1 3.09Å; E441-R444 IonicContact OE2-NH2 3.34Å; E441-V445 WeakPolarHBondContact O-CG2 3.04Å; E441-V445 PolarHBondContact O-N 3.38Å
442T43.6Very low41.6Very low79 Ų79135.2 Ų135.249%0.48568%0.678SS.*Hα-helixtrans-59.1-41.4170.929.50000112.2E438 M439 R444 V445 I446E438-T442 PolarHBondContact O-N 2.76Å; E438-T442 PolarHBondContact O-OG1 3.45Å; M439-T442 WeakPolarHBondContact CA-OG1 3.35Å; M439-T442 PolarHBondContact O-OG1 3.49Å; T442-R444 PolarHBondContact O-N 2.92Å; T442-V445 PolarHBondContact O-N 3.37Å; T442-I446 WeakPolarHBondContact O-CG1 3.31Å; T442-I446 PolarHBondContact O-N 3.36Å
443W43.4Very low41.4Very low186 Ų186135.8 Ų135.871%0.70568%0.675SS**Hα-helixtrans-64.3-37.9174.6-172.1-99.5000113M439 E441 S447M439-W443 PolarHBondContact O-N 3.09Å; E441-W443 VanDerWaalsContact C-N 3.32Å; E441-W443 PolarHBondContact O-N 3.07Å; W443-S447 VanDerWaalsContact O-CB 3.32Å; W443-S447 WeakPolarHBondContact O-CB 3.33Å; W443-S447 PolarHBondContact O-N 3.4Å; W443-S447 VanDerWaalsContact O-N 3.12Å; W443-S447 PolarHBondContact O-OG 3.21Å
444R39.1Very low41.1Very low146 Ų146136.5 Ų136.555%0.55168%0.679SS**Hα-helixtrans-65.9-38.7174-72.6-163.4-151.3122.39.5112.9K440 E441 T442 R448K440-R444 PolarHBondContact O-N 2.91Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-R444 VanDerWaalsContact O-N 3.16Å; E441-R444 IonicContact OE1-CZ 3.61Å; E441-R444 IonicContact OE1-NH1 3.86Å; E441-R444 PolarHBondContact OE1-NH1 2.91Å; E441-R444 IonicContact OE2-CZ 2.8Å; E441-R444 IonicContact OE2-NH1 2.72Å; E441-R444 PolarHBondContact OE2-NH1 3.09Å; E441-R444 IonicContact OE2-NH2 3.34Å; T442-R444 PolarHBondContact O-N 2.92Å; R444-R448 PolarHBondContact O-N 2.67Å
445V41.8Very low40.7Very low94 Ų94135.7 Ų135.757%0.5768%0.678SS**Hα-helixtrans-66.7-50.6178.7172.10000110.8E441 T442 S447 R448E441-V445 WeakPolarHBondContact O-CG2 3.04Å; E441-V445 PolarHBondContact O-N 3.38Å; T442-V445 PolarHBondContact O-N 3.37Å; V445-S447 PolarHBondContact O-N 2.77Å; V445-R448 PolarHBondContact O-N 2.66Å
446I45Very low40.1Very low123 Ų123133.7 Ų133.763%0.63168%0.675SS**Hα-helixtrans-60.3-33.4179-65.9166.6000111.4T442 R448T442-I446 WeakPolarHBondContact O-CG1 3.31Å; T442-I446 PolarHBondContact O-N 3.36Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 3.45Å
447S41.1Very low39.3Very low77 Ų77134 Ų13454%0.53868%0.676SS.*THydrogen-bonded Turntrans-77.3-1.6177.3-54.90000114.6W443 V445W443-S447 VanDerWaalsContact O-CB 3.32Å; W443-S447 WeakPolarHBondContact O-CB 3.33Å; W443-S447 PolarHBondContact O-N 3.4Å; W443-S447 VanDerWaalsContact O-N 3.12Å; W443-S447 PolarHBondContact O-OG 3.21Å; V445-S447 PolarHBondContact O-N 2.77Å
448R38.7Very low38.5Very low214 Ų214134.5 Ų134.581%0.80869%0.688SS**THydrogen-bonded Turntrans-115.24.3-172.7-133.2-169.284.2-178.98.1115.6R444 V445 I446R444-R448 PolarHBondContact O-N 2.67Å; V445-R448 PolarHBondContact O-N 2.66Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 3.45Å
449E36.6Very low37.7Very low180 Ų180133.5 Ų133.584%0.84170%0.696SS**SBendtrans-11115.1-177.5-156.2158.2-137.600112.2
450G41Very low38.1Very low70 Ų70132.2 Ų132.272%0.72270%0.698SS**SBendtrans-125.3-0-169.800000117.5
451E37.8Very low37.3Very low194 Ų194135 Ų13591%0.90772%0.717SS**  trans-151.368.9-178.9-136.2170.4158.200115
452E30.6Very low36.7Very low190 Ų190139.5 Ų139.589%0.88874%0.736SS**  trans-131.6135.1155.3-75.6-173.1-15800108
453A29.9Very low36Very low92 Ų92145.4 Ų145.476%0.7676%0.755SS**  cis-159.3153-9.900000110.6
454L32.3Very low35.5Very low178 Ų178144.2 Ų144.293%0.93276%0.762SS**  trans-153.4120.8138.6-141.3145.8000110.3
455N30.6Very low35.8Very low118 Ų118142.5 Ų142.563%0.63177%0.769SS**  trans-111.2132.6-178.716667.9000108.8
456D29.7Very low35.2Very low126 Ų126146 Ų14667%0.67478%0.784SS**  -160.7152.9119.5-125.91.9000117.6
457H33Very low34.5Very low150 Ų150148.2 Ų148.269%0.69479%0.791SS**  trans-25.2132.4175.5-59.2-56000120.4
458S30.1Very low34Very low117 Ų117152.3 Ų152.382%0.81881%0.806SS**  163.1164.594.254.70000113.8
459S31.1Very low34Very low114 Ų114146.9 Ų146.980%0.79780%0.799SS**  trans-149.3174.8-176.2-55.90000110.2
460P51.6Low33.6Very low115 Ų115143.4 Ų143.475%0.74780%0.795SS**  -130.8151.9-5937.1-23.7000111.8
461L29.9Very low33.1Very low175 Ų175151.8 Ų151.892%0.91680%0.804SS**  trans-139.5139.9169-77.3178.6000113.5
462F33.7Very low33.2Very low191 Ų191147.5 Ų147.584%0.83879%0.793SS**  trans-69.1149.3163-73.9-111.9000109.8
463F29.9Very low33.5Very low203 Ų203144.6 Ų144.689%0.8979%0.791SS**  -177.4128.2124.4-90.7-58000112.4
464L32Very low33.5Very low161 Ų161145.7 Ų145.784%0.84379%0.793SS**  trans-127.5156.9150.2-89.9169.9000105.2
465P45.9Very low33.4Very low110 Ų110142.5 Ų142.571%0.71479%0.786SS**  cis-137.5-175.429.443.2-27.2000115.2
466L28.5Very low33.7Very low168 Ų168143 Ų14388%0.8880%0.795SS**  trans-161.8143.9140.4-110.1164.8000111.9
467H30.6Very low33.7Very low169 Ų169142.7 Ų142.778%0.78280%0.803SS**  trans-93.5153170.9-80.2-115.9000110.8
468L30Very low33.5Very low163 Ų163139.2 Ų139.285%0.85380%0.8SS**  -176.2-179.7119.9-118.170.3000110.9
469P38.3Very low33.5Very low101 Ų101142.1 Ų142.166%0.65680%0.801SS**  -137.6175.9-127.943.2-22.4000119.1
470S29.5Very low34.2Very low107 Ų107141.7 Ų141.775%0.74880%0.795SS**  trans79.6127.5139.869.50000123.4
471R31.2Very low33.1Very low245 Ų245141.8 Ų141.893%0.92580%0.798SS**  trans77.1152.2152.7-92.4-158.2156.8171.8-4.6121.2
472P39.2Very low33Very low104 Ų104139 Ų13968%0.67579%0.789SS**  trans-106.3169-166.242.2-36.5000114.4
473P35.8Very low32.7Very low129 Ų129137.6 Ų137.684%0.83879%0.789SS**PPolyproline II helixtrans-77.1153.1165.733-34.7000112.7
474S30.4Very low32.6Very low115 Ų115134 Ų13480%0.80478%0.784SS**PPolyproline II helixtrans-99.1158.617652.20000112.8
475S31.4Very low32.6Very low112 Ų112134.8 Ų134.878%0.78378%0.784SS**PPolyproline II helixtrans-77.3158.3170.451.40000113.4
476P35.6Very low32.3Very low127 Ų127134.6 Ų134.683%0.82578%0.783SS**  trans-114.5174.2144.736.6-28.9000111.6
477S29.3Very low32.3Very low121 Ų121131.4 Ų131.485%0.84677%0.774SS**  trans-150.3166.6-176.8-171.70000112.4
478A30.1Very low32.2Very low76 Ų76131.3 Ų131.363%0.62877%0.774SS**  trans76.8106.916600000120.5
479H30.5Very low32.1Very low179 Ų179128.6 Ų128.683%0.82977%0.768SS**  49.4162.7111.9-61.7-54.1000122.5
480P45.6Very low31.7Very low104 Ų104132.8 Ų132.868%0.67578%0.779SS**  cis-138.3168.7-28.635.2-17.4000115.7
481S27.6Very low31.8Very low117 Ų117135.5 Ų135.582%0.81878%0.78SS**  trans-163.3150.7148.1-76.30000109.3
482T27.6Very low31.6Very low117 Ų117132.9 Ų132.972%0.71878%0.781SS**  cis112.5109.7-1.7-57.10000115.2
483L27.9Very low31.1Very low162 Ų162134.7 Ų134.785%0.84878%0.78SS**  trans62.2149176.6-101.161.7000115.3
484T28.2Very low31Very low128 Ų128134.9 Ų134.979%0.78578%0.779SS**  cis-147.6149.232.8-56.90000112.9
485Q31.7Very low31Very low176 Ų176133.8 Ų133.882%0.82278%0.776SS**  trans-104.3154165.2-128.8-171.1-16.200108.4
486P39.4Very low31.1Very low107 Ų107137 Ų13770%0.69578%0.779SS**  -154.3172.169.442.2-22.8000117.5
487S28.9Very low30.8Very low100 Ų100138.4 Ų138.470%0.69979%0.786SS**  trans49.5165146-53.40000121.4
488E27.1Very low30.8Very low168 Ų168139.5 Ų139.579%0.78578%0.782SS**  cis-156.5148.18.7-151.7158.4-131.700113.3
489S29.3Very low30.8Very low105 Ų105142.1 Ų142.173%0.73479%0.791SS**  trans65.5164.1158.5810000118
490Q30.2Very low30.5Very low190 Ų190136.5 Ų136.589%0.88878%0.781SS**  cis-127.1172.26.1-74.5-174.4-1300113.4
491Q30.4Very low29.7Very low164 Ų164137.6 Ų137.677%0.76679%0.791SS**  trans-116.7145.2-177.8168.3-168.52.800110.4
492M27.8Very low29.8Very low190 Ų190137.2 Ų137.294%0.93679%0.788SS**  trans-152157.2145.8-154.8151.7-171.200112.1
493E28.2Very low30Very low141 Ų141137.8 Ų137.866%0.65980%0.797SS**  trans-146.8-174.8-166.2-168.6-176.2156.800108.3
494V33.1Very low30.1Very low134 Ų134135.1 Ų135.181%0.81280%0.799SS**  trans79.5136.2166.3-175.60000114.2
495A30.5Very low30.2Very low91 Ų91134 Ų13475%0.75280%0.802SS**  cis-147.6175.43.600000113.5
496E34.1Very low30.1Very low180 Ų180134.4 Ų134.484%0.84180%0.804SS**  trans-77.8162.3162.2-52.6172.5121.500112.8
497T29Very low30.3Very low157 Ų157134.3 Ų134.396%0.96380%0.803SS**  trans-164.8171.3133.13.40000112.3
498D30.1Very low30.2Very low144 Ų144136.1 Ų136.177%0.7781%0.81SS**  trans-124.5177.8-158.1-174.323000113.3
499T28.9Very low30.4Very low131 Ų131132.6 Ų132.680%0.80481%0.809SS**  trans73.6151.6174.272.90000117.3
500G25.6Very low30.4Very low61 Ų61131.6 Ų131.663%0.62982%0.816SS**  cis161.8148.3-10.200000113.7
501S28.3Very low30.5Very low127 Ų127127.2 Ų127.289%0.88881%0.812SS**  trans65.5171.7175.685.90000116.1
502S28.9Very low30.6Very low108 Ų108128 Ų12876%0.75582%0.818SS**  cis177.8126.1-39.8176.80000108.2
503S31.7Very low30.7Very low130 Ų130125.1 Ų125.191%0.90982%0.815SS**  trans-169.8152.3158.1-86.80000110.9
504A30Very low30.8Very low106 Ų106129.6 Ų129.688%0.87683%0.826SS**  trans-128.4151.7-165.800000114
505A30.7Very low30.6Very low103 Ų103128.8 Ų128.885%0.85183%0.826SS**  trans-149.6145.616200000110.7
506Q29.7Very low30.5Very low185 Ų185130.1 Ų130.186%0.86483%0.83SS**  trans-146.8168.1-179.7-91.3-171.3-84.300107.9
507P43.3Very low30.5Very low105 Ų105126.8 Ų126.868%0.68283%0.827SS**  cis-131-137.8-27.736.9-17.8000110.1
508V28.3Very low30.6Very low138 Ų138126.9 Ų126.984%0.83682%0.818SS**  trans79.8132172.3-171.90000114.4
509A30.7Very low30.7Very low94 Ų94125.5 Ų125.578%0.77782%0.817SS**  cis-131.4158.4-8.100000110.3
510G28.8Very low30.9Very low85 Ų85125.7 Ų125.788%0.87682%0.818SS**  trans-100147.4-175.900000115.2
511A32.1Very low31.5Very low97 Ų97131.3 Ų131.380%0.80283%0.827SS**  trans-119.8135.5161.200000109.2C513A511-C513 PolarHBondContact O-N 3.45Å
512M32.2Very low31.9Very low182 Ų182130.6 Ų130.690%0.89782%0.82SS**  trans-80.4111.5-169.2-66.3-178.1179.800113
513C29.6Very low32.2Very low129 Ų129135.5 Ų135.587%0.87283%0.828SS**  trans-87.1105.4159.8-69.50000109.6A511 S515A511-C513 PolarHBondContact O-N 3.45Å; C513-S515 PolarHBondContact O-N 3.41Å
514R31.9Very low32.3Very low234 Ų234141.1 Ų141.188%0.88383%0.829SS**  trans-78.2109.9173.1-85.4-177.7167.9167.4-3.9110.5S516R514-S516 PolarHBondContact O-N 3.41Å
515S27.8Very low33.1Very low118 Ų118143.2 Ų143.283%0.82583%0.832SS**  trans-65.8123.1164-59.50000110.2C513C513-S515 PolarHBondContact O-N 3.41Å
516S28.3Very low33.5Very low119 Ų119141.5 Ų141.583%0.83282%0.823SS**  trans-101.185.8171.3-168.20000110.1R514 M518R514-S516 PolarHBondContact O-N 3.41Å; S516-M518 PolarHBondContact O-N 3.46Å
517S34.6Very low34.3Very low110 Ų110144 Ų14477%0.76983%0.827SS**  trans-86.592.9171.755.10000109.7
518M31.8Very low34.8Very low159 Ų159144.8 Ų144.878%0.78383%0.825SS**  trans-84.5121.3176.5-160.5171.582.400110.2S516S516-M518 PolarHBondContact O-N 3.46Å
519P31.6Very low36.3Very low114 Ų114141.8 Ų141.874%0.7481%0.807SS**  trans-70.8133.917729.1-33.5000110.5E521P519-E521 PolarHBondContact O-N 3.16Å
520V33.9Very low37.1Very low136 Ų136143.9 Ų143.982%0.82480%0.804SS**  trans-93.197.9176.7-179.60000109.1
521E37.8Very low38Very low178 Ų178147.2 Ų147.283%0.83279%0.794SS**PPolyproline II helixtrans-79.7146.9163.3-82.5-162.9117.300111.2P519P519-E521 PolarHBondContact O-N 3.16Å
522P36.4Very low39.1Very low113 Ų113146.7 Ų146.773%0.73478%0.775SS**PPolyproline II helixtrans-74143.9-17629.8-35000113R524P522-R524 PolarHBondContact O-N 2.76Å
523F34.5Very low40.2Very low211 Ų211142.5 Ų142.593%0.92576%0.756SS**PPolyproline II helixtrans-47.2121-176.8-70.6-96000114.6
524R34.6Very low41.3Very low247 Ų247142.5 Ų142.593%0.93274%0.744SS**PPolyproline II helixtrans-94.2122.4154.4-85.6-169.5169.2-159.6-1110.2P522 G526P522-R524 PolarHBondContact O-N 2.76Å; R524-G526 PolarHBondContact O-N 3.25Å
525T45.8Very low42.3Very low151 Ų151138.1 Ų138.193%0.92674%0.735SS**  trans-77.5110.2169.749.10000110.5
526G40.3Very low43.5Very low66 Ų66137 Ų13768%0.6872%0.723SS**  trans-160.1145.8172.700000110.4R524R524-G526 PolarHBondContact O-N 3.25Å
527Y45.2Very low44.5Very low237 Ų237139.1 Ų139.193%0.92972%0.718SS**PPolyproline II helixtrans-77.2123.9179.4-69.1-88.9000110.5
528L53.5Low44.8Very low122 Ų122138 Ų13864%0.63971%0.71SS**PPolyproline II helixtrans-64.4138.7170.3-80.7162000110.6E532L528-E532 HydrophobicContact CD2-CB 3.95Å
529T60.2Low45.1Very low76 Ų76137.4 Ų137.447%0.46671%0.71SS.*PPolyproline II helixtrans-78.3153.2172.970.10000110.9K531 E532 L533T529-K531 PolarHBondContact O-N 3.36Å; T529-K531 VanDerWaalsContact O-N 3.09Å; T529-E532 WeakPolarHBondContact CA-OE2 3.42Å; T529-E532 VanDerWaalsContact CB-OE2 3.27Å; T529-E532 WeakPolarHBondContact CB-OE2 3.49Å; T529-E532 WeakPolarHBondContact CG2-OE2 3.16Å; T529-E532 PolarHBondContact N-OE2 2.92Å; T529-E532 PolarHBondContact O-N 3.43Å; T529-E532 WeakPolarHBondContact OG1-CG 3.39Å; T529-E532 PolarHBondContact OG1-OE2 2.84Å; T529-L533 PolarHBondContact O-N 3.03Å
530L48Very low45.6Very low137 Ų137141.4 Ų141.472%0.71772%0.716SS**Hα-helixtrans-57-29.7-179.2-142.3162.7000112.1Q534L530-Q534 PolarHBondContact O-N 3.16Å
531K47.6Very low45.7Very low155 Ų155139.7 Ų139.767%0.67471%0.709SS**Hα-helixtrans-71.3-35.4177.2-167.5176.8-178.7-178.10113.2T529 M535T529-K531 PolarHBondContact O-N 3.36Å; T529-K531 VanDerWaalsContact O-N 3.09Å; K531-M535 HydrophobicContact CG-CE 4.5Å; K531-M535 WeakPolarHBondContact O-CG 3.43Å; K531-M535 PolarHBondContact O-N 2.69Å
532E54.6Low45.8Very low86 Ų86142.8 Ų142.840%0.40273%0.729SS.*Hα-helixtrans-73.5-37.5177.1-68.6159.9122.900111.5L528 T529 Q534 M535 T536L528-E532 HydrophobicContact CD2-CB 3.95Å; T529-E532 WeakPolarHBondContact CA-OE2 3.42Å; T529-E532 VanDerWaalsContact CB-OE2 3.27Å; T529-E532 WeakPolarHBondContact CB-OE2 3.49Å; T529-E532 WeakPolarHBondContact CG2-OE2 3.16Å; T529-E532 PolarHBondContact N-OE2 2.92Å; T529-E532 PolarHBondContact O-N 3.43Å; T529-E532 WeakPolarHBondContact OG1-CG 3.39Å; T529-E532 PolarHBondContact OG1-OE2 2.84Å; E532-Q534 VanDerWaalsContact C-N 3.35Å; E532-Q534 PolarHBondContact O-N 2.78Å; E532-M535 PolarHBondContact O-N 3.16Å; E532-M535 VanDerWaalsContact O-N 3.13Å; E532-T536 PolarHBondContact O-N 2.78Å; E532-T536 VanDerWaalsContact O-N 3.1Å; E532-T536 PolarHBondContact O-OG1 2.94Å
533L55.4Low46.2Very low94 Ų94144.3 Ų144.349%0.49273%0.729SS.*Hα-helixtrans-63.5-40177.4-155.3160.1000111.3T529 M535 T536 F537T529-L533 PolarHBondContact O-N 3.03Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 3.48Å; L533-T536 PolarHBondContact O-N 2.91Å; L533-T536 PolarHBondContact O-OG1 2.99Å; L533-F537 HydrophobicContact CD2-CD2 4.45Å; L533-F537 PolarHBondContact O-N 2.94Å
534Q53.1Low46.9Very low130 Ų130140.7 Ų140.761%0.60772%0.719SS**Hα-helixtrans-64.7-32.8172.7-74.2-174.4-52.900113.4L530 E532 S538L530-Q534 PolarHBondContact O-N 3.16Å; E532-Q534 VanDerWaalsContact C-N 3.35Å; E532-Q534 PolarHBondContact O-N 2.78Å; Q534-S538 WeakPolarHBondContact O-CB 3.48Å; Q534-S538 PolarHBondContact O-N 3.24Å
535M53.8Low47.5Very low142 Ų142134.8 Ų134.870%0.771%0.707SS**Hα-helixtrans-81-19.7179.9-68.3-173-60.200113.9K531 E532 L533K531-M535 HydrophobicContact CG-CE 4.5Å; K531-M535 WeakPolarHBondContact O-CG 3.43Å; K531-M535 PolarHBondContact O-N 2.69Å; E532-M535 PolarHBondContact O-N 3.16Å; E532-M535 VanDerWaalsContact O-N 3.13Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 3.48Å
536T52.6Low47.6Very low95 Ų95133.9 Ų133.958%0.58369%0.694SS**Hα-helixtrans-92.8-25.6179.232.60000114.3E532 L533E532-T536 PolarHBondContact O-N 2.78Å; E532-T536 VanDerWaalsContact O-N 3.1Å; E532-T536 PolarHBondContact O-OG1 2.94Å; L533-T536 PolarHBondContact O-N 2.91Å; L533-T536 PolarHBondContact O-OG1 2.99Å
537F49.1Very low48.1Very low163 Ų163138.1 Ų138.172%0.71570%0.695SS**Hα-helixtrans-123.43.2-172.8-66.1-80.2000115.7L533 N539L533-F537 HydrophobicContact CD2-CD2 4.45Å; L533-F537 PolarHBondContact O-N 2.94Å; F537-N539 PolarHBondContact O-N 3.03Å
538S40.4Very low48.3Very low87 Ų87131.5 Ų131.561%0.60868%0.679SS**  trans-78.762.8176.8178.80000113.3Q534 K540Q534-S538 WeakPolarHBondContact O-CB 3.48Å; Q534-S538 PolarHBondContact O-N 3.24Å; S538-K540 PolarHBondContact O-N 2.83Å
539N38.1Very low47.9Very low146 Ų146132.2 Ų132.278%0.78168%0.682SS**  trans-79.399.5169.2-164.68.4000110.4F537F537-N539 PolarHBondContact O-N 3.03Å
540K42.3Very low47Very low198 Ų198136.5 Ų136.586%0.86170%0.698SS**  trans-103.1102.4171.9-90.3-167.9172.7-172.90110.3S538S538-K540 PolarHBondContact O-N 2.83Å
541S36.2Very low46.9Very low99 Ų99136.5 Ų136.569%0.69270%0.697SS**  trans-131.7130.5158.955.50000108.8
542I39.4Very low46.8Very low243 Ų243134.8 Ų134.8100%1.24670%0.699SS**  trans-86.30159.3-65.9173.6000106.6

Retrieved 542 of 542 residues in 187 ms (Link to these results)