A0A096MML5_PAPAN Loading...

Growth hormone receptor

AlphaFold DB , UniProt , Accession A0A096MML5, Species PAPAN (Papio anubis, Olive baboon), Gene GHR, Length 645 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
1M35.1Very low40.5Very low235 Ų235166.8 Ų166.8100%1.15884%0.838SS**  0156.90-84.460.517000109.3
2N34.8Very low40.9Very low156 Ų156164.6 Ų164.683%0.83482%0.822SS**  trans-76.3144.7178.6-63.1-15.9000111.8
3W29.7Very low41.4Very low247 Ų247159.8 Ų159.894%0.93680%0.801SS**  trans-141116.7143-90.591.7000108.8
4R33.3Very low41.6Very low228 Ų228156.1 Ų156.186%0.8678%0.783SS**PPolyproline II helixtrans-99.4133.4153-84.4-171.4176.9-171.1-0106.2
5P39.5Very low41.6Very low122 Ų122153.3 Ų153.379%0.79277%0.771SS**PPolyproline II helixtrans-70.8136.9164.430.1-32.2000109.8
6T39.9Very low41.6Very low135 Ų135149.6 Ų149.683%0.82876%0.759SS**PPolyproline II helixtrans-85.3127.4168.640.80000109.8M8T6-M8 PolarHBondContact O-N 2.67Å
7G48.6Very low41.5Very low84 Ų84149.1 Ų149.187%0.86676%0.758SS**SBendtrans-75.6103-178.300000113.1
8M44.6Very low41.4Very low171 Ų171145.2 Ų145.284%0.84275%0.752SS**  trans-140.1-12.8165.1-97.6175.164.500114.1T6T6-M8 PolarHBondContact O-N 2.67Å
9D49.9Very low41.1Very low115 Ų115145.1 Ų145.162%0.61575%0.752SS**SBendtrans-91.4-13.2-162.4-146.77.9000115W11D9-W11 VanDerWaalsContact C-N 3.33Å; D9-W11 PolarHBondContact O-N 2.65Å
10L47.4Very low40.8Very low130 Ų130142.5 Ų142.568%0.68175%0.753SS**Hα-helixtrans-71.9-24.4-172.3-152.574.3000113.7L14L10-L14 PolarHBondContact O-N 2.99Å
11W42.5Very low40.6Very low212 Ų212139.1 Ų139.180%0.80375%0.752SS**Hα-helixtrans-79.2-31.1-179.5-82.583.4000113.2D9 L14 L15D9-W11 VanDerWaalsContact C-N 3.33Å; D9-W11 PolarHBondContact O-N 2.65Å; W11-L14 PolarHBondContact O-N 3.44Å; W11-L15 PolarHBondContact O-N 3.14Å; W11-L15 VanDerWaalsContact O-N 3.1Å
12Q46Very low40.2Very low140 Ų140132.9 Ų132.965%0.65473%0.731SS**Hα-helixtrans-73.9-29.5176.2-74.8177.5-91.500112.3T16Q12-T16 WeakPolarHBondContact O-CG2 3.44Å; Q12-T16 PolarHBondContact O-N 2.92Å; Q12-T16 PolarHBondContact O-OG1 3.23Å
13L47.5Very low39.8Very low103 Ų103129.8 Ų129.854%0.53972%0.722SS.*Hα-helixtrans-67.3-35170-87.4161.8000113.5T16L13-T16 PolarHBondContact O-OG1 3.21Å
14L44.3Very low39.8Very low107 Ų107125.9 Ų125.956%0.5672%0.72SS**Hα-helixtrans-74.6-38.5175.8-74.7167.3000112.4L10 W11 T16 L17 A18L10-L14 PolarHBondContact O-N 2.99Å; W11-L14 PolarHBondContact O-N 3.44Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 2.82Å; L14-L17 PolarHBondContact O-N 3.09Å; L14-A18 PolarHBondContact O-N 2.96Å
15L40.9Very low39.5Very low115 Ų115120 Ų12060%0.60272%0.72SS**Hα-helixtrans-69.7-29.9-179.9-14977.1000112.9W11W11-L15 PolarHBondContact O-N 3.14Å; W11-L15 VanDerWaalsContact O-N 3.1Å
16T42.3Very low38.9Very low93 Ų93124.2 Ų124.257%0.57173%0.726SS**Hα-helixtrans-75.8-32.2178.241.10000113.2Q12 L13 L14 A18Q12-T16 WeakPolarHBondContact O-CG2 3.44Å; Q12-T16 PolarHBondContact O-N 2.92Å; Q12-T16 PolarHBondContact O-OG1 3.23Å; L13-T16 PolarHBondContact O-OG1 3.21Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-T16 PolarHBondContact O-N 2.82Å; T16-A18 VanDerWaalsContact C-N 3.35Å
17L38.9Very low38.1Very low142 Ų142122.9 Ų122.974%0.74372%0.723SS**Hα-helixtrans-70.6-27.9172.8-84.7162.5000113.3L14L14-L17 PolarHBondContact O-N 3.09Å
18A40.1Very low36.9Very low79 Ų79122.3 Ų122.365%0.65372%0.717SS**Hα-helixtrans-77.9-20.4179.600000114.4L14 T16L14-A18 PolarHBondContact O-N 2.96Å; T16-A18 VanDerWaalsContact C-N 3.35Å
19L35.3Very low36Very low143 Ų143120.1 Ų120.175%0.74972%0.718SS**SBendtrans-105-2-173.1-75.5167.9000114.7
20A36.3Very low34.9Very low93 Ų93122.9 Ų122.977%0.76973%0.727SS**SBendtrans-94.113.4177.700000113.9
21G34.7Very low34.1Very low72 Ų72122.8 Ų122.874%0.74274%0.735SS**SBendtrans-115.627.5-166.700000116.4
22S27.1Very low33.3Very low103 Ų103119 Ų11972%0.7274%0.735SS**  trans-151.1123.9-179.2-1660000113.2
23S27.5Very low32.4Very low92 Ų92116.6 Ų116.664%0.64374%0.739SS**  trans48.7136.7156.756.50000120.4
24D29.6Very low31.4Very low164 Ų164116.8 Ų116.888%0.87776%0.755SS**  cis-164153.6-5.4-98-34.3000109.5
25A25.6Very low30.6Very low105 Ų105119.3 Ų119.387%0.86877%0.768SS**  trans-157.4148.1161.800000111.1
26F26.7Very low29.9Very low210 Ų210122.1 Ų122.192%0.92178%0.783SS**  trans-126.8162.5-164.9-151.6-99.2000113.4
27S24.8Very low29.2Very low108 Ų108123 Ų12376%0.75579%0.792SS**  trans80.492.9160.3-165.80000121.1
28G23.4Very low28.6Very low72 Ų72127.8 Ų127.874%0.74280%0.8SS**  92.4118.9106.500000121.3
29S24.9Very low28.1Very low125 Ų125128.7 Ų128.787%0.87481%0.808SS**  trans-176172.6130.537.40000111.3
30E27.2Very low27.6Very low173 Ų173127 Ų12781%0.80881%0.809SS**  trans-76.2163.2-166-60.2158.595.600115.6
31P29.6Very low27.2Very low128 Ų128134.6 Ų134.683%0.83182%0.817SS**  trans-117.6123.9138.434.3-27.2000111.9
32T27.2Very low26.8Very low132 Ų132136.4 Ų136.481%0.8182%0.819SS**PPolyproline II helixtrans-74.9129.3177.3-41.50000111.4
33A26.2Very low26.8Very low90 Ų90139.9 Ų139.974%0.74483%0.828SS**PPolyproline II helixtrans-84132.4176.500000112.3
34A26.2Very low26.7Very low106 Ų106143.8 Ų143.888%0.87684%0.836SS**PPolyproline II helixtrans-79.7143.4171.900000111.5
35I27.9Very low26.6Very low161 Ų161141.5 Ų141.583%0.82683%0.833SS**PPolyproline II helixtrans-88.7128.1-170.6-61.1167.7000111.2
36L26.2Very low26.6Very low174 Ų174142.6 Ų142.691%0.91183%0.829SS**  trans-130.9121.5154.2-106.1171.9000109.5
37S27.3Very low26.6Very low111 Ų111139.4 Ų139.478%0.77682%0.821SS**  trans-90.6121.4-169.344.10000112.8
38R26.2Very low26.9Very low242 Ų242140.6 Ų140.691%0.91383%0.826SS**  trans-141.4111.6158.7-172.4168.5-69.7-156.5-0.8108.7
39A29.1Very low27Very low98 Ų98140 Ų14081%0.8182%0.821SS**  trans-77.8129.2-173.900000111.8
40S25.4Very low27.8Very low109 Ų109141.7 Ų141.776%0.76282%0.819SS**  trans-125139.6155.258.40000108.1S42S40-S42 PolarHBondContact O-N 3.32Å
41W28.5Very low27.8Very low252 Ų252142.3 Ų142.396%0.95582%0.819SS**  trans-82.8109.6179.5-70-2.8000109.7
42S25.3Very low28Very low110 Ų110141.6 Ų141.677%0.76981%0.812SS**  trans-80.3122.1170.343.90000110.4S40 Q44S40-S42 PolarHBondContact O-N 3.32Å; S42-Q44 PolarHBondContact O-N 3.38Å
43L28.2Very low28.4Very low175 Ų175142.5 Ų142.592%0.91681%0.812SS**  trans-68.7114166.6-116.979.9000108.5S45L43-S45 PolarHBondContact O-N 3.17Å
44Q25.5Very low29.2Very low174 Ų174141.9 Ų141.981%0.81380%0.803SS**  trans-79.7116.6-178.8-160.8168.12400109.8S42 V46S42-Q44 PolarHBondContact O-N 3.38Å; Q44-V46 PolarHBondContact O-N 3.26Å
45S26.5Very low30.3Very low117 Ų117139.6 Ų139.682%0.81878%0.78SS**  trans-7196.8177.145.30000110.8L43 N47L43-S45 PolarHBondContact O-N 3.17Å; S45-N47 PolarHBondContact O-N 2.89Å
46V26.8Very low32.2Very low127 Ų127140.3 Ų140.377%0.7778%0.777SS**  trans-73.8122.1174.6-179.90000108.9Q44Q44-V46 PolarHBondContact O-N 3.26Å
47N25.9Very low34.6Very low143 Ų143137.2 Ų137.277%0.76576%0.758SS**  trans-52.2138.8170-75.3-49.2000110S45 G49S45-N47 PolarHBondContact O-N 2.89Å; N47-G49 PolarHBondContact O-N 2.91Å
48P31.2Very low37.3Very low133 Ų133132 Ų13286%0.86472%0.721SS**  trans-74.162.3179.232.1-36.4000111.9L50P48-L50 PolarHBondContact O-N 3.35Å
49G25.6Very low40.4Very low61 Ų61124.5 Ų124.563%0.62970%0.695SS**  trans-65.5120.5170.200000109.6N47 K51N47-G49 PolarHBondContact O-N 2.91Å; G49-K51 PolarHBondContact O-N 3.15Å
50L41Very low43.4Very low159 Ų159121.4 Ų121.483%0.83266%0.664SS**  trans-60.488.9-170.7-17270.8000112.7P48 T52P48-L50 PolarHBondContact O-N 3.35Å; L50-T52 HydrophobicContact CD1-CG2 3.74Å; L50-T52 HydrophobicContact CG-CG2 4.16Å
51K28.8Very low46.6Very low187 Ų187120.3 Ų120.381%0.81365%0.653SS**  trans-112.183167.8-96.6-175.2173.1177.50109.8G49 N53G49-K51 PolarHBondContact O-N 3.15Å; K51-N53 PolarHBondContact O-N 3.19Å
52T33.8Very low49.7Very low112 Ų112111.8 Ų111.869%0.68762%0.622SS**  trans-72.762175.351.20000112L50 S54L50-T52 HydrophobicContact CD1-CG2 3.74Å; L50-T52 HydrophobicContact CG-CG2 4.16Å; T52-S54 PolarHBondContact O-N 3.13Å
53N34.9Very low53Low151 Ų151107.2 Ų107.281%0.80759%0.59SS**  trans-72.780.3161.5-80.26.4000107.9K51 S55K51-N53 PolarHBondContact O-N 3.19Å; N53-S55 PolarHBondContact O-N 3.3Å
54S42.6Very low56.2Low78 Ų78100.5 Ų100.555%0.54555%0.552SS.*  trans-58.9105.9179.6175.70000110.6T52 K56T52-S54 PolarHBondContact O-N 3.13Å; S54-K56 PolarHBondContact O-N 3.36Å
55S50.4Low59.5Low57 Ų5792.2 Ų92.240%0.39951%0.514SS..  trans-64.4117.1157.9-177.70000106.8N53 E57 K59N53-S55 PolarHBondContact O-N 3.3Å; S55-E57 PolarHBondContact O-N 2.8Å; S55-K59 WeakPolarHBondContact OG-CE 3.28Å; S55-K59 PolarHBondContact OG-NZ 2.81Å
56K68.1Low62.8Low176 Ų17687.6 Ų87.677%0.76548%0.481SS*.SBendtrans-77.818.6-171.9-61.7-176.7177.7-179.30114.1S54S54-K56 PolarHBondContact O-N 3.36Å
57E74.9Confident66Low110 Ų11082.4 Ų82.451%0.51445%0.448SS..SBendtrans-141.1138-163.2-75.8170.2179.200108.9S55 V143S55-E57 PolarHBondContact O-N 2.8Å; E57-V143 HydrophobicContact CB-CG1 3.77Å; E57-V143 HydrophobicContact CG-CG1 4.45Å
58P84.7Confident69.2Low0 Ų076.7 Ų76.70%042%0.416CS..  trans-66.1131.7-174.427.6-36.4000112T76 I89 V143P58-T76 WeakPolarHBondContact CA-O 3.29Å; P58-T76 VanDerWaalsContact CB-O 3.23Å; P58-T76 WeakPolarHBondContact CB-O 3.29Å; P58-I89 HydrophobicContact CB-CD1 3.63Å; P58-I89 HydrophobicContact CB-CG1 4.42Å; P58-I89 HydrophobicContact CG-CD1 3.78Å; P58-I89 HydrophobicContact CG-CG1 4.11Å; P58-V143 HydrophobicContact CG-CG1 4.21Å; P58-V143 VanDerWaalsContact O-CG1 3.29Å; P58-V143 WeakPolarHBondContact O-CG1 3.17Å
59K90.4Very high72.1Confident85 Ų8574.4 Ų74.437%0.3739%0.394SS..  trans-134.7151.1-178.4-75.2176.8174.5165.40111.7S55 T61 W75 T76 D144S55-K59 WeakPolarHBondContact OG-CE 3.28Å; S55-K59 PolarHBondContact OG-NZ 2.81Å; K59-T61 PolarHBondContact O-N 2.98Å; K59-W75 CarbonylContact O-C 3.57Å; K59-W75 WeakPolarHBondContact O-CA 3.39Å; K59-W75 VanDerWaalsContact O-CB 3.27Å; K59-W75 WeakPolarHBondContact O-CB 3.31Å; K59-T76 PolarHBondContact N-OG1 2.91Å; K59-T76 VanDerWaalsContact N-OG1 3.14Å; K59-T76 PolarHBondContact O-N 3.36Å; K59-D144 WeakPolarHBondContact CA-OD2 3.38Å; K59-D144 HydrophobicContact CG-CB 4.23Å
60F93.3Very high75.5Confident33 Ų3372.4 Ų72.415%0.14537%0.37CS..EExtended strand (participates in β ladder)trans-61.2123.9176-76.5-66.6000111.1C73 H74 W75 L91 I134 L136 D144 K146F60-C73 HydrophobicContact CD1-CB 4.43Å; F60-C73 HydrophobicContact CE1-CB 4.16Å; F60-H74 WeakPolarHBondContact CA-O 3.37Å; F60-W75 HydrophobicContact CE1-CE3 4.42Å; F60-L91 HydrophobicContact CE1-CD1 3.55Å; F60-L91 HydrophobicContact CZ-CD1 3.76Å; F60-L91 HydrophobicContact CZ-CG 4.37Å; F60-I134 HydrophobicContact CD1-CD1 4.1Å; F60-I134 HydrophobicContact CE1-CD1 3.41Å; F60-I134 VanDerWaalsContact CE1-CD1 3.41Å; F60-I134 HydrophobicContact CE1-CG1 4.17Å; F60-I134 HydrophobicContact CE2-CD1 3.93Å; F60-I134 HydrophobicContact CE2-CG1 3.82Å; F60-I134 HydrophobicContact CZ-CB 4.11Å; F60-I134 HydrophobicContact CZ-CD1 3.29Å; F60-I134 HydrophobicContact CZ-CG1 3.51Å; F60-L136 HydrophobicContact CD1-CD1 3.98Å; F60-L136 HydrophobicContact CD1-CG 4.4Å; F60-L136 HydrophobicContact CD2-CD1 3.91Å; F60-L136 HydrophobicContact CD2-CG 4.24Å; F60-L136 HydrophobicContact CE1-CD1 3.97Å; F60-L136 HydrophobicContact CE1-CD2 4.14Å; F60-L136 HydrophobicContact CE1-CG 3.88Å; F60-L136 HydrophobicContact CE2-CD1 3.91Å; F60-L136 HydrophobicContact CE2-CG 3.71Å; F60-L136 HydrophobicContact CG-CD1 3.96Å; F60-L136 HydrophobicContact CZ-CD1 3.94Å; F60-L136 HydrophobicContact CZ-CD2 4.08Å; F60-L136 HydrophobicContact CZ-CG 3.51Å; F60-D144 HydrophobicContact CD2-CB 4.28Å; F60-D144 WeakPolarHBondContact CD2-OD2 2.8Å; F60-D144 PolarHBondContact N-OD2 3.4Å; F60-K146 HydrophobicContact CD2-CB 4.49Å
61T92.6Very high78.1Confident86 Ų8664.9 Ų64.953%0.52833%0.33SS..EExtended strand (participates in β ladder)trans-89.2-48.5176.5530000111K59 H74 T76K59-T61 PolarHBondContact O-N 2.98Å; T61-H74 PolarHBondContact N-O 3.26Å; T61-H74 VanDerWaalsContact OG1-C 3.26Å; T61-H74 WeakPolarHBondContact OG1-CB 3.39Å; T61-H74 PolarHBondContact OG1-O 3.28Å; T61-H74 VanDerWaalsContact OG1-O 3.11Å; T61-T76 HydrophobicContact CG2-CG2 3.44Å; T61-T76 VanDerWaalsContact CG2-CG2 3.44Å
62K92.7Very high81.4Confident74 Ų7456.7 Ų56.732%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-155.8138.5-172.9-166.3177.4-177.2-1750109.7C73 H74 E249K62-C73 WeakPolarHBondContact O-CA 3.44Å; K62-H74 PolarHBondContact O-N 3.46Å; K62-E249 IonicContact NZ-OE1 2.97Å; K62-E249 PolarHBondContact NZ-OE1 2.81Å
63C95.1Very high84.3Confident13 Ų1351.4 Ų51.49%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-119.1135.4158.8-69.20000107.4S72 C73 F148 I153C63-S72 CarbonylContact C-O 3.59Å; C63-S72 VanDerWaalsContact CA-O 3.24Å; C63-S72 WeakPolarHBondContact CA-O 3.24Å; C63-C73 HydrophobicContact CB-CB 4.19Å; C63-C73 WeakPolarHBondContact CB-SG 3.4Å; C63-C73 WeakPolarHBondContact SG-CB 3.19Å; C63-C73 CovalentContact SG-SG 2.05Å; C63-C73 PolarHBondContact SG-SG 2.91Å; C63-F148 HydrophobicContact CB-CE1 4.19Å; C63-F148 HydrophobicContact CB-CZ 4.18Å; C63-I153 HydrophobicContact CB-CD1 4.08Å
64R95.2Very high87.2Confident34 Ų3447.2 Ų47.213%0.12824%0.239CC..EExtended strand (participates in β ladder)trans-143.7128.4-170.8171.4169.6-166.9-125.52.3110.5F71 S72 Q155 P156 D157R64-F71 CarbonylContact O-C 3.51Å; R64-F71 VanDerWaalsContact O-CA 3.28Å; R64-F71 WeakPolarHBondContact O-CA 3.12Å; R64-F71 WeakPolarHBondContact O-CB 3.47Å; R64-S72 PolarHBondContact N-O 2.93Å; R64-S72 PolarHBondContact O-N 2.91Å; R64-Q155 HydrophobicContact CG-CB 4.18Å; R64-Q155 PolarHBondContact NE-O 2.87Å; R64-Q155 PolarHBondContact NH2-O 3.43Å; R64-Q155 VanDerWaalsContact NH2-O 3.09Å; R64-P156 PolarHBondContact NH2-O 2.81Å; R64-D157 IonicContact CZ-OD1 2.68Å; R64-D157 VanDerWaalsContact CZ-OD1 3.23Å; R64-D157 IonicContact NH1-OD1 2.86Å; R64-D157 PolarHBondContact NH1-OD1 2.84Å; R64-D157 VanDerWaalsContact NH2-CA 3.32Å; R64-D157 IonicContact NH2-OD1 3.33Å; R64-D157 PolarHBondContact NH2-OD1 3.2Å
65S95.9Very high89.7Confident0 Ų044.3 Ų44.30%022%0.216CC..BIsolated β-bridgetrans-106.1122160.8-177.10000108.6R68 T70 I153 V154 Q155S65-R68 WeakPolarHBondContact OG-CA 3.47Å; S65-R68 PolarHBondContact OG-N 3.42Å; S65-T70 WeakPolarHBondContact CA-O 3.29Å; S65-T70 VanDerWaalsContact CB-O 3.25Å; S65-T70 WeakPolarHBondContact CB-O 3.48Å; S65-T70 PolarHBondContact OG-O 3.2Å; S65-I153 PolarHBondContact N-O 3Å; S65-V154 CarbonylContact O-C 3.51Å; S65-V154 VanDerWaalsContact O-CA 3.31Å; S65-V154 WeakPolarHBondContact O-CA 3.31Å; S65-Q155 PolarHBondContact O-N 3.31Å
66P94.9Very high91.6Very high20 Ų2044.4 Ų44.413%0.1322%0.215CC..SBendtrans-79.4-58.5178.5-3.620.1000110.9P156 D157 M195P66-P156 WeakPolarHBondContact O-CA 3.4Å; P66-D157 WeakPolarHBondContact CB-OD2 3.48Å; P66-M195 WeakPolarHBondContact O-CE 3.31Å
67E93.6Very high92.1Very high18 Ų1841 Ų418%0.08421%0.205CC..SBendtrans-100.48.2-173.870.3-57.3119.700115.5E69 T70 N187 W194 M195E67-E69 HydrophobicContact CG-CB 3.97Å; E67-E69 HydrophobicContact CG-CG 4.16Å; E67-E69 PolarHBondContact O-N 3.2Å; E67-E69 PolarHBondContact OE1-N 3.29Å; E67-T70 WeakPolarHBondContact OE1-CA 3.31Å; E67-T70 WeakPolarHBondContact OE1-CB 3.36Å; E67-T70 PolarHBondContact OE1-N 2.92Å; E67-T70 PolarHBondContact OE1-OG1 3.1Å; E67-N187 HydrophobicContact CB-CB 4.12Å; E67-N187 VanDerWaalsContact CB-O 3.22Å; E67-N187 WeakPolarHBondContact CB-O 3.48Å; E67-N187 HydrophobicContact CG-CB 4.36Å; E67-N187 PolarHBondContact OE2-ND2 2.89Å; E67-W194 PolarHBondContact O-NE1 3.18Å; E67-W194 VanDerWaalsContact O-NE1 3.09Å; E67-M195 VanDerWaalsContact C-SD 3.54Å; E67-M195 WeakPolarHBondContact CA-SD 3.44Å; E67-M195 HydrophobicContact CB-SD 4.11Å; E67-M195 VanDerWaalsContact O-SD 3.35Å
68R93.1Very high91.6Very high23 Ų2336.3 Ų36.39%0.08719%0.185CC..SBendtrans62.512.3-174.4-154.5-174.370.5-158.8-9.4114.4S65 V128 V154 W194 R241S65-R68 WeakPolarHBondContact OG-CA 3.47Å; S65-R68 PolarHBondContact OG-N 3.42Å; R68-V128 HydrophobicContact CG-CG1 3.89Å; R68-V128 HydrophobicContact CG-CG2 3.96Å; R68-V128 WeakPolarHBondContact O-CG2 3.21Å; R68-V154 HydrophobicContact CB-CG2 3.86Å; R68-V154 HydrophobicContact CG-CG2 3.58Å; R68-W194 VanDerWaalsContact CZ-O 3.27Å; R68-W194 PolarHBondContact NH1-O 3.21Å; R68-W194 VanDerWaalsContact NH2-CE2 3.29Å; R68-W194 VanDerWaalsContact NH2-CZ3 3.28Å; R68-W194 PolarHBondContact NH2-O 3.32Å; R68-R241 VanDerWaalsContact CD-NH1 3.3Å
69E92.9Very high90.1Very high86 Ų8640.8 Ų40.840%0.40221%0.212SC..SBendtrans-106.5-31173.6-58.9-168.2172.500112.6E67 S123 T126 W194E67-E69 HydrophobicContact CG-CB 3.97Å; E67-E69 HydrophobicContact CG-CG 4.16Å; E67-E69 PolarHBondContact O-N 3.2Å; E67-E69 PolarHBondContact OE1-N 3.29Å; E69-S123 WeakPolarHBondContact O-CA 3.43Å; E69-T126 WeakPolarHBondContact O-CB 3.43Å; E69-T126 VanDerWaalsContact O-CG2 3.23Å; E69-T126 WeakPolarHBondContact O-CG2 3.28Å; E69-T126 PolarHBondContact O-OG1 2.73Å; E69-W194 HydrophobicContact CG-CZ2 4.3Å
70T95.7Very high88.2Confident19 Ų1942.7 Ų42.712%0.11722%0.222CC..  trans-129.2162.6178.974.70000110S65 E67 Y120 F121S65-T70 WeakPolarHBondContact CA-O 3.29Å; S65-T70 VanDerWaalsContact CB-O 3.25Å; S65-T70 WeakPolarHBondContact CB-O 3.48Å; S65-T70 PolarHBondContact OG-O 3.2Å; E67-T70 WeakPolarHBondContact OE1-CA 3.31Å; E67-T70 WeakPolarHBondContact OE1-CB 3.36Å; E67-T70 PolarHBondContact OE1-N 2.92Å; E67-T70 PolarHBondContact OE1-OG1 3.1Å; T70-Y120 WeakPolarHBondContact CG2-OH 3.5Å; T70-F121 VanDerWaalsContact CA-O 3.32Å; T70-F121 WeakPolarHBondContact CA-O 3.48Å; T70-F121 WeakPolarHBondContact CB-O 3.14Å
71F96.6Very high85.7Confident1 Ų149.6 Ų49.60%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-148155.1169.170.7-83.5000112.7R64 F121 T126 Y132 F148 V150 I153R64-F71 CarbonylContact O-C 3.51Å; R64-F71 VanDerWaalsContact O-CA 3.28Å; R64-F71 WeakPolarHBondContact O-CA 3.12Å; R64-F71 WeakPolarHBondContact O-CB 3.47Å; F71-F121 HydrophobicContact CD1-CB 3.68Å; F71-F121 HydrophobicContact CD1-CD2 4.48Å; F71-F121 HydrophobicContact CD1-CG 4.24Å; F71-F121 HydrophobicContact CD2-CB 4.37Å; F71-F121 AromaticContact CD2-CD2 3.73Å; F71-F121 HydrophobicContact CD2-CD2 3.73Å; F71-F121 HydrophobicContact CD2-CE2 4.4Å; F71-F121 HydrophobicContact CD2-CG 4.29Å; F71-F121 HydrophobicContact CE1-CB 3.48Å; F71-F121 VanDerWaalsContact CE1-CB 3.48Å; F71-F121 HydrophobicContact CE1-CD1 4.24Å; F71-F121 HydrophobicContact CE1-CD2 4.08Å; F71-F121 AromaticContact CE1-CG 3.68Å; F71-F121 HydrophobicContact CE1-CG 3.68Å; F71-F121 HydrophobicContact CE2-CB 4.21Å; F71-F121 HydrophobicContact CE2-CD1 4.48Å; F71-F121 AromaticContact CE2-CD2 3.23Å; F71-F121 HydrophobicContact CE2-CD2 3.23Å; F71-F121 AromaticContact CE2-CE2 3.62Å; F71-F121 HydrophobicContact CE2-CE2 3.62Å; F71-F121 AromaticContact CE2-CG 3.73Å; F71-F121 HydrophobicContact CE2-CG 3.73Å; F71-F121 HydrophobicContact CE2-CZ 4.4Å; F71-F121 HydrophobicContact CG-CB 4.13Å; F71-F121 HydrophobicContact CG-CD2 4.33Å; F71-F121 HydrophobicContact CZ-CB 3.77Å; F71-F121 AromaticContact CZ-CD1 3.87Å; F71-F121 HydrophobicContact CZ-CD1 3.87Å; F71-F121 AromaticContact CZ-CD2 3.44Å; F71-F121 HydrophobicContact CZ-CD2 3.44Å; F71-F121 VanDerWaalsContact CZ-CD2 3.44Å; F71-F121 HydrophobicContact CZ-CE1 4.32Å; F71-F121 AromaticContact CZ-CE2 3.94Å; F71-F121 HydrophobicContact CZ-CE2 3.94Å; F71-F121 AromaticContact CZ-CG 3.4Å; F71-F121 HydrophobicContact CZ-CG 3.4Å; F71-F121 HydrophobicContact CZ-CZ 4.35Å; F71-F121 PolarHBondContact N-O 2.78Å; F71-F121 PolarHBondContact O-N 3.22Å; F71-T126 HydrophobicContact CD1-CG2 3.85Å; F71-T126 WeakPolarHBondContact CD1-OG1 3.36Å; F71-T126 HydrophobicContact CE1-CG2 4.22Å; F71-Y132 HydrophobicContact CE1-CD1 4.37Å; F71-Y132 HydrophobicContact CE1-CE1 4.11Å; F71-Y132 AromaticContact CZ-CD1 3.84Å; F71-Y132 HydrophobicContact CZ-CD1 3.84Å; F71-Y132 AromaticContact CZ-CE1 3.97Å; F71-Y132 HydrophobicContact CZ-CE1 3.97Å; F71-Y132 HydrophobicContact CZ-CG 4.25Å; F71-F148 HydrophobicContact CD2-CE2 4.25Å; F71-F148 HydrophobicContact CD2-CZ 4.37Å; F71-F148 AromaticContact CE2-CE2 3.91Å; F71-F148 HydrophobicContact CE2-CE2 3.91Å; F71-F148 AromaticContact CE2-CZ 3.9Å; F71-F148 HydrophobicContact CE2-CZ 3.9Å; F71-F148 HydrophobicContact CZ-CE2 4.43Å; F71-V150 HydrophobicContact CD1-CG1 4.49Å; F71-V150 HydrophobicContact CD1-CG2 4.05Å; F71-V150 HydrophobicContact CE1-CG2 4Å; F71-I153 HydrophobicContact CB-CD1 3.89Å; F71-I153 HydrophobicContact CD2-CD1 3.9Å; F71-I153 HydrophobicContact CG-CD1 4.05Å
72S97.1Very high83.4Confident15 Ų1548.4 Ų48.411%0.10526%0.259CS..EExtended strand (participates in β ladder)trans-122.3153.5169.659.70000111.4C63 R64 H74 C119C63-S72 CarbonylContact C-O 3.59Å; C63-S72 VanDerWaalsContact CA-O 3.24Å; C63-S72 WeakPolarHBondContact CA-O 3.24Å; R64-S72 PolarHBondContact N-O 2.93Å; R64-S72 PolarHBondContact O-N 2.91Å; S72-H74 WeakPolarHBondContact CB-NE2 3.23Å; S72-H74 PolarHBondContact OG-NE2 2.88Å; S72-C119 CarbonylContact C-O 3.52Å; S72-C119 VanDerWaalsContact CA-O 3.24Å; S72-C119 WeakPolarHBondContact CA-O 3.3Å
73C96.6Very high81.1Confident0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-129136.5170.6-73.70000109.7F60 K62 C63 L91 S118 C119 I134F60-C73 HydrophobicContact CD1-CB 4.43Å; F60-C73 HydrophobicContact CE1-CB 4.16Å; K62-C73 WeakPolarHBondContact O-CA 3.44Å; C63-C73 HydrophobicContact CB-CB 4.19Å; C63-C73 WeakPolarHBondContact CB-SG 3.4Å; C63-C73 WeakPolarHBondContact SG-CB 3.19Å; C63-C73 CovalentContact SG-SG 2.05Å; C63-C73 PolarHBondContact SG-SG 2.91Å; C73-L91 HydrophobicContact CB-CD1 4.43Å; C73-S118 CarbonylContact O-C 3.53Å; C73-S118 VanDerWaalsContact O-CA 3.29Å; C73-S118 WeakPolarHBondContact O-CA 3.33Å; C73-C119 PolarHBondContact N-O 3.35Å; C73-C119 PolarHBondContact O-N 3.4Å; C73-I134 HydrophobicContact CB-CD1 4.06Å; C73-I134 WeakPolarHBondContact SG-CD1 3.49Å
74H95.5Very high78.7Confident63 Ų6359.1 Ų59.129%0.29232%0.321SS..EExtended strand (participates in β ladder)trans-124.4153.5-172.5-61.1-103.5000110.2F60 T61 K62 S72 A114 N117F60-H74 WeakPolarHBondContact CA-O 3.37Å; T61-H74 PolarHBondContact N-O 3.26Å; T61-H74 VanDerWaalsContact OG1-C 3.26Å; T61-H74 WeakPolarHBondContact OG1-CB 3.39Å; T61-H74 PolarHBondContact OG1-O 3.28Å; T61-H74 VanDerWaalsContact OG1-O 3.11Å; K62-H74 PolarHBondContact O-N 3.46Å; S72-H74 WeakPolarHBondContact CB-NE2 3.23Å; S72-H74 PolarHBondContact OG-NE2 2.88Å; H74-A114 VanDerWaalsContact CE1-C 3.46Å; H74-A114 PolarHBondContact CE1-O 2.73Å; H74-N117 WeakPolarHBondContact CA-O 3.35Å
75W93.8Very high76.2Confident17 Ų1762.2 Ų62.26%0.06435%0.348CS..EExtended strand (participates in β ladder)trans-141.1167.317956.884.9000113.3K59 F60 L91 Y111 N117 S118 C119 L136K59-W75 CarbonylContact O-C 3.57Å; K59-W75 WeakPolarHBondContact O-CA 3.39Å; K59-W75 VanDerWaalsContact O-CB 3.27Å; K59-W75 WeakPolarHBondContact O-CB 3.31Å; F60-W75 HydrophobicContact CE1-CE3 4.42Å; W75-L91 HydrophobicContact CE3-CD1 4.19Å; W75-L91 HydrophobicContact CH2-CB 4.3Å; W75-L91 HydrophobicContact CH2-CD1 4.5Å; W75-L91 HydrophobicContact CZ3-CB 4.23Å; W75-L91 HydrophobicContact CZ3-CD1 3.66Å; W75-Y111 AromaticContact CH2-CD1 3.98Å; W75-Y111 HydrophobicContact CH2-CD1 3.98Å; W75-Y111 HydrophobicContact CH2-CE1 4.01Å; W75-Y111 HydrophobicContact CZ2-CD1 4.45Å; W75-Y111 HydrophobicContact CZ2-CE1 4.47Å; W75-N117 HydrophobicContact CD2-CB 4.43Å; W75-N117 HydrophobicContact CG-CB 4.33Å; W75-N117 PolarHBondContact N-O 2.87Å; W75-N117 PolarHBondContact NE1-OD1 3.1Å; W75-S118 WeakPolarHBondContact CH2-O 3.46Å; W75-S118 VanDerWaalsContact CZ3-C 3.42Å; W75-C119 HydrophobicContact CH2-CB 4.26Å; W75-C119 HydrophobicContact CZ3-CB 3.96Å; W75-L136 HydrophobicContact CB-CD1 3.61Å; W75-L136 HydrophobicContact CB-CD2 4.46Å; W75-L136 HydrophobicContact CD2-CD1 4.42Å; W75-L136 HydrophobicContact CD2-CD2 3.64Å; W75-L136 HydrophobicContact CE3-CD2 3.67Å; W75-L136 HydrophobicContact CG-CD1 4Å; W75-L136 HydrophobicContact CG-CD2 4.02Å; W75-L136 HydrophobicContact CZ3-CD2 4.16Å
76T90.1Very high74.2Confident60 Ų6065.1 Ų65.137%0.36836%0.363SS..PPolyproline II helixtrans-82.3139.7174.559.40000111.7P58 K59 T61P58-T76 WeakPolarHBondContact CA-O 3.29Å; P58-T76 VanDerWaalsContact CB-O 3.23Å; P58-T76 WeakPolarHBondContact CB-O 3.29Å; K59-T76 PolarHBondContact N-OG1 2.91Å; K59-T76 VanDerWaalsContact N-OG1 3.14Å; K59-T76 PolarHBondContact O-N 3.36Å; T61-T76 HydrophobicContact CG2-CG2 3.44Å; T61-T76 VanDerWaalsContact CG2-CG2 3.44Å
77D78.9Confident72.6Confident104 Ų10465.1 Ų65.156%0.55637%0.366SS*.PPolyproline II helixtrans-55.9151.3163.6-81.8-63.1000113.2N117D77-N117 PolarHBondContact OD1-ND2 3.27Å; D77-N117 PolarHBondContact OD2-ND2 2.9Å
78A64.3Low71.7Confident11 Ų1169.4 Ų69.49%0.09140%0.396CS..PPolyproline II helixtrans-76.7119.5163.700000110.2H80 L86A78-H80 PolarHBondContact O-N 3.49Å; A78-H80 VanDerWaalsContact O-N 3.09Å; A78-H80 PolarHBondContact O-ND1 2.88Å; A78-L86 HydrophobicContact CB-CD2 3.79Å
79V53.6Low71.4Confident95 Ų9569.7 Ų69.758%0.57640%0.399SS*.  trans-72.1105.1179.5-178.70000110.5H81V79-H81 PolarHBondContact O-N 3.46Å
80H50.8Low71.3Confident124 Ų12468.8 Ų68.857%0.57439%0.394SS*.  trans-76.278.5-171.9-80.876.9000113.9A78 G82A78-H80 PolarHBondContact O-N 3.49Å; A78-H80 VanDerWaalsContact O-N 3.09Å; A78-H80 PolarHBondContact O-ND1 2.88Å; H80-G82 VanDerWaalsContact C-N 3.33Å; H80-G82 PolarHBondContact O-N 3.24Å; H80-G82 VanDerWaalsContact O-N 3.16Å
81H41.8Very low71.2Confident179 Ų17967.9 Ų67.983%0.82939%0.389SS*.  trans-84.769.5166.8-74.4-57.4000112.9V79V79-H81 PolarHBondContact O-N 3.46Å
82G42.7Very low71.1Confident60 Ų6070 Ų7062%0.61940%0.398SS*.SBendtrans86.2123.515800000118H80 K84H80-G82 VanDerWaalsContact C-N 3.33Å; H80-G82 PolarHBondContact O-N 3.24Å; H80-G82 VanDerWaalsContact O-N 3.16Å; G82-K84 VanDerWaalsContact C-N 3.35Å; G82-K84 PolarHBondContact O-N 2.95Å; G82-K84 VanDerWaalsContact O-N 3.11Å
83S45Very low71Confident135 Ų13570.3 Ų70.394%0.94440%0.397SS*.SBendtrans65.412.2152.8-52.80000119.8
84K44.9Very low70.8Confident178 Ų17870.7 Ų70.777%0.77440%0.4SS*.  trans-138125.3152.3-69.2-171.1179.9-177.50109.5G82G82-K84 VanDerWaalsContact C-N 3.35Å; G82-K84 PolarHBondContact O-N 2.95Å; G82-K84 VanDerWaalsContact O-N 3.11Å
85S42.3Very low70.4Confident98 Ų9873.7 Ų73.769%0.68541%0.408SS*.PPolyproline II helixtrans-68.9125.416050.60000108.2
86L54.3Low69.7Low62 Ų6279.3 Ų79.333%0.32543%0.429SS..PPolyproline II helixtrans-62.8138.6148.9-96.263.7000106.6A78 S138A78-L86 HydrophobicContact CB-CD2 3.79Å; L86-S138 WeakPolarHBondContact CD2-OG 3.45Å; L86-S138 WeakPolarHBondContact CG-OG 3.48Å
87G61.1Low68.5Low19 Ų1979.4 Ų79.420%0.19643%0.428CS..PPolyproline II helixtrans-62.7171.2169.800000111.1I89 N139G87-I89 PolarHBondContact O-N 2.72Å; G87-N139 VanDerWaalsContact CA-OD1 3.29Å; G87-N139 WeakPolarHBondContact CA-OD1 3.26Å; G87-N139 PolarHBondContact N-OD1 3.46Å
88P75.8Confident67.5Low109 Ų10982.1 Ų82.171%0.70844%0.441SS*.PPolyproline II helixtrans-52.7130.3178.823.6-34000110.5Q90P88-Q90 PolarHBondContact O-N 3.45Å
89I86.3Confident67.2Low29 Ų2989.3 Ų89.315%0.14947%0.473CS..PPolyproline II helixtrans-72.9118.3174.9-61.6164.8000106.8P58 G87 L136 T137P58-I89 HydrophobicContact CB-CD1 3.63Å; P58-I89 HydrophobicContact CB-CG1 4.42Å; P58-I89 HydrophobicContact CG-CD1 3.78Å; P58-I89 HydrophobicContact CG-CG1 4.11Å; G87-I89 PolarHBondContact O-N 2.72Å; I89-L136 HydrophobicContact CG2-CD2 3.84Å; I89-T137 WeakPolarHBondContact CA-O 3.27Å
90Q90.9Very high67.6Low66 Ų6689.4 Ų89.431%0.30847%0.467SS..EExtended strand (participates in β ladder)trans-110.1134.1178.9-65.5-178.7-83.400110.2P88 F92 E107 Y111 T137P88-Q90 PolarHBondContact O-N 3.45Å; Q90-F92 HydrophobicContact CB-CD2 4.4Å; Q90-F92 HydrophobicContact CB-CE2 3.78Å; Q90-E107 PolarHBondContact NE2-OE1 3.28Å; Q90-E107 PolarHBondContact NE2-OE2 2.78Å; Q90-E107 VanDerWaalsContact NE2-OE2 3.15Å; Q90-Y111 WeakPolarHBondContact CA-OH 3.31Å; Q90-T137 PolarHBondContact N-O 2.9Å; Q90-T137 PolarHBondContact O-N 2.86Å; Q90-T137 PolarHBondContact O-OG1 3.46Å
91L94.1Very high67.6Low0 Ų095.7 Ų95.70%049%0.485CS..EExtended strand (participates in β ladder)trans-97.6127.1173.1-174.8152.5000109.5F60 C73 W75 C108 Y111 C119 F121 I134 K135 L136F60-L91 HydrophobicContact CE1-CD1 3.55Å; F60-L91 HydrophobicContact CZ-CD1 3.76Å; F60-L91 HydrophobicContact CZ-CG 4.37Å; C73-L91 HydrophobicContact CB-CD1 4.43Å; W75-L91 HydrophobicContact CE3-CD1 4.19Å; W75-L91 HydrophobicContact CH2-CB 4.3Å; W75-L91 HydrophobicContact CH2-CD1 4.5Å; W75-L91 HydrophobicContact CZ3-CB 4.23Å; W75-L91 HydrophobicContact CZ3-CD1 3.66Å; L91-C108 HydrophobicContact CB-CB 4.26Å; L91-C108 HydrophobicContact CD2-CB 4.28Å; L91-C108 PolarHBondContact O-N 2.95Å; L91-Y111 HydrophobicContact CB-CE1 4.28Å; L91-Y111 PolarHBondContact N-OH 2.95Å; L91-C119 HydrophobicContact CB-CB 4.49Å; L91-C119 HydrophobicContact CD1-CB 3.8Å; L91-C119 HydrophobicContact CD2-CB 4.3Å; L91-C119 HydrophobicContact CG-CB 4.44Å; L91-F121 HydrophobicContact CD2-CZ 4.06Å; L91-I134 HydrophobicContact CD2-CB 4.44Å; L91-I134 HydrophobicContact CD2-CG2 4.44Å; L91-K135 WeakPolarHBondContact CA-O 3.43Å; L91-L136 HydrophobicContact CB-CD2 4.13Å; L91-L136 HydrophobicContact CD1-CD2 4.26Å; L91-L136 HydrophobicContact CG-CD2 4.45Å
92F94.2Very high68.3Low45 Ų4592.1 Ų92.120%0.19748%0.477CS..EExtended strand (participates in β ladder)trans-112.9140.2170.6-70.2-91.8000110.2Q90 W105 K106 E107 I134 K135 T137Q90-F92 HydrophobicContact CB-CD2 4.4Å; Q90-F92 HydrophobicContact CB-CE2 3.78Å; F92-W105 HydrophobicContact CB-CB 4.43Å; F92-W105 HydrophobicContact CB-CE3 4Å; F92-K106 CarbonylContact C-O 3.57Å; F92-K106 VanDerWaalsContact CA-O 3.27Å; F92-K106 WeakPolarHBondContact CA-O 2.97Å; F92-E107 HydrophobicContact CD1-CB 4.17Å; F92-E107 HydrophobicContact CE1-CB 3.88Å; F92-E107 HydrophobicContact CE1-CG 4.48Å; F92-E107 HydrophobicContact CZ-CB 4.45Å; F92-I134 CarbonylContact O-C 3.59Å; F92-I134 VanDerWaalsContact O-CA 3.31Å; F92-I134 WeakPolarHBondContact O-CA 3.38Å; F92-K135 HydrophobicContact CB-CD 4.36Å; F92-K135 HydrophobicContact CB-CG 3.85Å; F92-K135 PolarHBondContact N-O 3.37Å; F92-K135 PolarHBondContact O-N 3.08Å; F92-T137 HydrophobicContact CD2-CG2 4.05Å; F92-T137 WeakPolarHBondContact CD2-OG1 3.18Å; F92-T137 HydrophobicContact CE2-CG2 4.45Å; F92-T137 WeakPolarHBondContact CE2-OG1 3.39Å
93Y94Very high69.5Low22 Ų2293.7 Ų93.79%0.08647%0.468CS..EExtended strand (participates in β ladder)trans-123.8159.317680.5-76.9000111.6W105 K106 E107 F121 F125 Y132 C133Y93-W105 WeakPolarHBondContact O-CA 3.37Å; Y93-K106 HydrophobicContact CD1-CB 4.2Å; Y93-K106 VanDerWaalsContact CD1-O 3.25Å; Y93-K106 WeakPolarHBondContact CD1-O 3.48Å; Y93-K106 HydrophobicContact CE1-CB 3.73Å; Y93-K106 PolarHBondContact N-O 3.24Å; Y93-K106 PolarHBondContact O-N 3.42Å; Y93-E107 VanDerWaalsContact CE1-O 3.31Å; Y93-E107 WeakPolarHBondContact CE1-O 3.49Å; Y93-F121 AromaticContact CD1-CE1 3.66Å; Y93-F121 HydrophobicContact CD1-CE1 3.66Å; Y93-F121 HydrophobicContact CD1-CZ 4.1Å; Y93-F121 AromaticContact CD2-CE1 3.81Å; Y93-F121 HydrophobicContact CD2-CE1 3.81Å; Y93-F121 AromaticContact CE1-CE1 3.94Å; Y93-F121 HydrophobicContact CE1-CE1 3.94Å; Y93-F121 HydrophobicContact CE2-CE1 4.07Å; Y93-F121 AromaticContact CG-CE1 3.6Å; Y93-F121 HydrophobicContact CG-CE1 3.6Å; Y93-F121 AromaticContact CG-CZ 3.98Å; Y93-F121 HydrophobicContact CG-CZ 3.98Å; Y93-F125 WeakPolarHBondContact OH-CD1 3.24Å; Y93-Y132 HydrophobicContact CD2-CD1 4.12Å; Y93-Y132 HydrophobicContact CD2-CE1 4.2Å; Y93-Y132 HydrophobicContact CE2-CE1 4.39Å; Y93-C133 CarbonylContact C-O 3.52Å; Y93-C133 WeakPolarHBondContact CA-O 3.29Å
94T92Very high71.4Confident8 Ų892.7 Ų92.75%0.04945%0.448CS..EExtended strand (participates in β ladder)trans-146.9136.5168.5-179.40000108.8Q103 E104 W105 C133T94-Q103 HydrophobicContact CG2-CG 3.72Å; T94-Q103 WeakPolarHBondContact OG1-CG 3.42Å; T94-E104 WeakPolarHBondContact CB-O 3.19Å; T94-E104 PolarHBondContact OG1-O 2.88Å; T94-W105 HydrophobicContact CG2-CD2 3.99Å; T94-W105 HydrophobicContact CG2-CE3 3.83Å; T94-W105 HydrophobicContact CG2-CH2 3.8Å; T94-W105 HydrophobicContact CG2-CZ2 3.92Å; T94-W105 HydrophobicContact CG2-CZ3 3.74Å; T94-C133 HydrophobicContact CG2-CB 3.94Å; T94-C133 PolarHBondContact N-O 2.9Å; T94-C133 PolarHBondContact O-N 3.44Å
95R88.9Confident73.5Confident127 Ų12788.6 Ų88.648%0.47943%0.428SS..EExtended strand (participates in β ladder)trans-88.3127.2170.670.1-172.5-173.6-1741.9107.9N97 E100 I130R95-N97 PolarHBondContact O-N 3.45Å; R95-E100 IonicContact NH2-OE2 3.73Å; R95-I130 HydrophobicContact CB-CG2 4.01Å
96R77.8Confident75.9Confident134 Ų13488.5 Ų88.551%0.50642%0.415SS..  trans-89.286.9173.6-177.2-175.1-69.11460.1109.1P131R96-P131 HydrophobicContact CB-CG 4.29Å; R96-P131 PolarHBondContact N-O 2.82Å
97N65.3Low77.8Confident62 Ų6289.2 Ų89.233%0.33242%0.417SS..  trans-72.6134.5164.6-173.61.1000109R95 Q99 E100R95-N97 PolarHBondContact O-N 3.45Å; N97-Q99 PolarHBondContact O-N 2.91Å; N97-Q99 PolarHBondContact OD1-N 2.89Å; N97-E100 HydrophobicContact CB-CB 4.43Å; N97-E100 HydrophobicContact CB-CG 4.48Å; N97-E100 WeakPolarHBondContact CB-OE2 3.4Å; N97-E100 PolarHBondContact ND2-OE2 2.81Å; N97-E100 PolarHBondContact O-N 3.42Å
98I58.1Low79.4Confident162 Ų16288.9 Ų88.983%0.83141%0.411SS*.THydrogen-bonded Turntrans-64.4-23-177.9-60.3171.4000111.1
99Q58.3Low80.4Confident162 Ų16286 Ų8676%0.75739%0.393SS*.THydrogen-bonded Turntrans-81.5-22.5-178.3-146.776.28.900114.6N97N97-Q99 PolarHBondContact O-N 2.91Å; N97-Q99 PolarHBondContact OD1-N 2.89Å
100E61.3Low80.8Confident97 Ų9786.8 Ų86.845%0.45340%0.397SS..  trans-110.1106-166-69.6174115.600111.7R95 N97 T102R95-E100 IonicContact NH2-OE2 3.73Å; N97-E100 HydrophobicContact CB-CB 4.43Å; N97-E100 HydrophobicContact CB-CG 4.48Å; N97-E100 WeakPolarHBondContact CB-OE2 3.4Å; N97-E100 PolarHBondContact ND2-OE2 2.81Å; N97-E100 PolarHBondContact O-N 3.42Å; E100-T102 VanDerWaalsContact C-N 3.28Å; E100-T102 PolarHBondContact O-N 3.47Å
101W50.4Low81Confident255 Ų25587.2 Ų87.297%0.96640%0.396SS*.  trans-75.4-11.5-179.9-79.479.2000114.5
102T56.3Low80.9Confident105 Ų10593 Ų9364%0.64443%0.431SS*.SBendtrans-96.1102.1176.943.10000110.5E100 E104E100-T102 VanDerWaalsContact C-N 3.28Å; E100-T102 PolarHBondContact O-N 3.47Å; T102-E104 VanDerWaalsContact C-N 3.28Å; T102-E104 PolarHBondContact O-N 3.43Å
103Q68.9Low80.9Confident93 Ų9394.7 Ų94.744%0.43545%0.449SS..  trans-75.776.3-180-168.9171.3-38.100111.5T94 W105T94-Q103 HydrophobicContact CG2-CG 3.72Å; T94-Q103 WeakPolarHBondContact OG1-CG 3.42Å; Q103-W105 PolarHBondContact O-N 3.28Å
104E84.6Confident80.8Confident113 Ų11394.7 Ų94.753%0.52845%0.453SS..  trans-64.7112.8175.2-67.9-168.9156.200111.5T94 T102 K106T94-E104 WeakPolarHBondContact CB-O 3.19Å; T94-E104 PolarHBondContact OG1-O 2.88Å; T102-E104 VanDerWaalsContact C-N 3.28Å; T102-E104 PolarHBondContact O-N 3.43Å; E104-K106 WeakPolarHBondContact OE2-CE 3.47Å; E104-K106 IonicContact OE2-NZ 2.94Å; E104-K106 PolarHBondContact OE2-NZ 2.8Å
105W89.8Confident80.8Confident93 Ų9396 Ų9635%0.35247%0.469SS..  trans-81.5124.2168.8-68.692.2000110.1F92 Y93 T94 Q103 C133 K135F92-W105 HydrophobicContact CB-CB 4.43Å; F92-W105 HydrophobicContact CB-CE3 4Å; Y93-W105 WeakPolarHBondContact O-CA 3.37Å; T94-W105 HydrophobicContact CG2-CD2 3.99Å; T94-W105 HydrophobicContact CG2-CE3 3.83Å; T94-W105 HydrophobicContact CG2-CH2 3.8Å; T94-W105 HydrophobicContact CG2-CZ2 3.92Å; T94-W105 HydrophobicContact CG2-CZ3 3.74Å; Q103-W105 PolarHBondContact O-N 3.28Å; W105-C133 HydrophobicContact CH2-CB 4.15Å; W105-C133 WeakPolarHBondContact CZ3-O 3.48Å; W105-K135 HydrophobicContact CD2-CD 4.03Å; W105-K135 HydrophobicContact CE3-CD 3.8Å; W105-K135 HydrophobicContact CE3-CG 3.92Å; W105-K135 HydrophobicContact CH2-CB 4.31Å; W105-K135 HydrophobicContact CH2-CD 3.91Å; W105-K135 HydrophobicContact CH2-CG 4.12Å; W105-K135 HydrophobicContact CZ2-CD 4.14Å; W105-K135 HydrophobicContact CZ3-CB 4.12Å; W105-K135 HydrophobicContact CZ3-CD 3.74Å; W105-K135 HydrophobicContact CZ3-CG 3.64Å
106K92.4Very high80.9Confident95 Ų9598.5 Ų98.541%0.41349%0.486SS..EExtended strand (participates in β ladder)trans-114.2143.9179.1-49.2-163.8-176.3-151.30108.5F92 Y93 E104F92-K106 CarbonylContact C-O 3.57Å; F92-K106 VanDerWaalsContact CA-O 3.27Å; F92-K106 WeakPolarHBondContact CA-O 2.97Å; Y93-K106 HydrophobicContact CD1-CB 4.2Å; Y93-K106 VanDerWaalsContact CD1-O 3.25Å; Y93-K106 WeakPolarHBondContact CD1-O 3.48Å; Y93-K106 HydrophobicContact CE1-CB 3.73Å; Y93-K106 PolarHBondContact N-O 3.24Å; Y93-K106 PolarHBondContact O-N 3.42Å; E104-K106 WeakPolarHBondContact OE2-CE 3.47Å; E104-K106 IonicContact OE2-NZ 2.94Å; E104-K106 PolarHBondContact OE2-NZ 2.8Å
107E93.9Very high81.5Confident78 Ų7894.1 Ų94.136%0.36447%0.472SS..EExtended strand (participates in β ladder)trans-70.7155.3177.1-174.3159.8-168.900110.7Q90 F92 Y93 Y111Q90-E107 PolarHBondContact NE2-OE1 3.28Å; Q90-E107 PolarHBondContact NE2-OE2 2.78Å; Q90-E107 VanDerWaalsContact NE2-OE2 3.15Å; F92-E107 HydrophobicContact CD1-CB 4.17Å; F92-E107 HydrophobicContact CE1-CB 3.88Å; F92-E107 HydrophobicContact CE1-CG 4.48Å; F92-E107 HydrophobicContact CZ-CB 4.45Å; Y93-E107 VanDerWaalsContact CE1-O 3.31Å; Y93-E107 WeakPolarHBondContact CE1-O 3.49Å; E107-Y111 HydrophobicContact CG-CE2 4.12Å; E107-Y111 WeakPolarHBondContact CG-OH 3.08Å; E107-Y111 WeakPolarHBondContact OE1-CE2 3.46Å; E107-Y111 PolarHBondContact OE1-OH 2.83Å
108C95.1Very high82.9Confident11 Ų1191.2 Ų91.27%0.07446%0.457CS..  trans-44.8131.7172.4179.40000112.3L91 D110 Y111 C119L91-C108 HydrophobicContact CB-CB 4.26Å; L91-C108 HydrophobicContact CD2-CB 4.28Å; L91-C108 PolarHBondContact O-N 2.95Å; C108-D110 VanDerWaalsContact SG-C 3.51Å; C108-D110 PolarHBondContact SG-O 3.29Å; C108-Y111 HydrophobicContact CB-CD1 4.13Å; C108-Y111 HydrophobicContact CB-CD2 4.21Å; C108-Y111 HydrophobicContact CB-CE1 3.67Å; C108-Y111 HydrophobicContact CB-CE2 3.77Å; C108-Y111 HydrophobicContact CB-CG 4.39Å; C108-Y111 VanDerWaalsContact CB-CZ 3.5Å; C108-C119 HydrophobicContact CB-CB 4.05Å; C108-C119 WeakPolarHBondContact CB-SG 3.42Å; C108-C119 VanDerWaalsContact SG-CA 3.51Å; C108-C119 WeakPolarHBondContact SG-CB 3.43Å; C108-C119 CovalentContact SG-SG 2.02Å; C108-C119 PolarHBondContact SG-SG 3.48Å
109P95.1Very high84.7Confident50 Ų5083.5 Ų83.533%0.32542%0.417SS..SBendtrans-76.1-22.7-179.729.4-33.5000113.9Y120 F121 F125P109-Y120 WeakPolarHBondContact CG-O 3.34Å; P109-F121 HydrophobicContact CG-CD1 3.94Å; P109-F121 HydrophobicContact CG-CE1 4.13Å; P109-F125 HydrophobicContact CB-CD2 3.6Å; P109-F125 HydrophobicContact CB-CE1 4.34Å; P109-F125 HydrophobicContact CB-CE2 3.4Å; P109-F125 HydrophobicContact CB-CG 4.17Å; P109-F125 HydrophobicContact CB-CZ 3.8Å; P109-F125 HydrophobicContact CG-CB 4.46Å; P109-F125 HydrophobicContact CG-CD2 3.72Å; P109-F125 HydrophobicContact CG-CE2 4.07Å; P109-F125 HydrophobicContact CG-CG 4.03Å
110D95.7Very high86.6Confident45 Ų4578.8 Ų78.824%0.24139%0.393CS..  trans-156.1114.1-177-174.4-17.5000111.4C108 V112 S113 C119 Y120C108-D110 VanDerWaalsContact SG-C 3.51Å; C108-D110 PolarHBondContact SG-O 3.29Å; D110-V112 WeakPolarHBondContact OD1-CA 3.1Å; D110-V112 PolarHBondContact OD1-N 3.32Å; D110-S113 PolarHBondContact OD1-N 2.76Å; D110-S113 WeakPolarHBondContact OD2-CB 3.48Å; D110-S113 PolarHBondContact OD2-OG 2.82Å; D110-C119 CarbonylContact O-C 3.56Å; D110-C119 WeakPolarHBondContact O-CA 3.44Å; D110-Y120 PolarHBondContact O-N 2.67Å
111Y93.9Very high88.3Confident75 Ų7574.2 Ų74.229%0.29437%0.371SS..SBendtrans-95.86.3177.7-70.6-78.6000113.8W75 Q90 L91 E107 C108W75-Y111 AromaticContact CH2-CD1 3.98Å; W75-Y111 HydrophobicContact CH2-CD1 3.98Å; W75-Y111 HydrophobicContact CH2-CE1 4.01Å; W75-Y111 HydrophobicContact CZ2-CD1 4.45Å; W75-Y111 HydrophobicContact CZ2-CE1 4.47Å; Q90-Y111 WeakPolarHBondContact CA-OH 3.31Å; L91-Y111 HydrophobicContact CB-CE1 4.28Å; L91-Y111 PolarHBondContact N-OH 2.95Å; E107-Y111 HydrophobicContact CG-CE2 4.12Å; E107-Y111 WeakPolarHBondContact CG-OH 3.08Å; E107-Y111 WeakPolarHBondContact OE1-CE2 3.46Å; E107-Y111 PolarHBondContact OE1-OH 2.83Å; C108-Y111 HydrophobicContact CB-CD1 4.13Å; C108-Y111 HydrophobicContact CB-CD2 4.21Å; C108-Y111 HydrophobicContact CB-CE1 3.67Å; C108-Y111 HydrophobicContact CB-CE2 3.77Å; C108-Y111 HydrophobicContact CB-CG 4.39Å; C108-Y111 VanDerWaalsContact CB-CZ 3.5Å
112V93Very high90.4Very high120 Ų12064.8 Ų64.873%0.72734%0.34SS*.SBendtrans-119.3-43.9-168.3-177.10000112.3D110 A114 G115D110-V112 WeakPolarHBondContact OD1-CA 3.1Å; D110-V112 PolarHBondContact OD1-N 3.32Å; V112-A114 PolarHBondContact O-N 2.79Å; V112-A114 VanDerWaalsContact O-N 3.09Å; V112-G115 PolarHBondContact O-N 3.04Å
113S94.1Very high92.2Very high82 Ų8263.3 Ų63.357%0.57333%0.334SS*.THydrogen-bonded Turntrans-65.2-18.3-169.9-66.60000115.3D110D110-S113 PolarHBondContact OD1-N 2.76Å; D110-S113 WeakPolarHBondContact OD2-CB 3.48Å; D110-S113 PolarHBondContact OD2-OG 2.82Å
114A92.4Very high93.4Very high21 Ų2163.8 Ų63.817%0.17435%0.347CS..THydrogen-bonded Turntrans-105.58.5174.100000113.9H74 V112 S118 Y120H74-A114 VanDerWaalsContact CE1-C 3.46Å; H74-A114 PolarHBondContact CE1-O 2.73Å; V112-A114 PolarHBondContact O-N 2.79Å; V112-A114 VanDerWaalsContact O-N 3.09Å; A114-S118 WeakPolarHBondContact CA-OG 3.48Å; A114-S118 VanDerWaalsContact CB-OG 3.29Å; A114-S118 WeakPolarHBondContact CB-OG 3.47Å; A114-S118 PolarHBondContact O-OG 3.38Å; A114-Y120 HydrophobicContact CB-CD2 4.38Å; A114-Y120 HydrophobicContact CB-CG 4.49Å
115G92Very high93.7Very high36 Ų3662.4 Ų62.437%0.37134%0.34SS..  trans93.8-171.6177.900000114.8V112 S118V112-G115 PolarHBondContact O-N 3.04Å; G115-S118 PolarHBondContact N-OG 2.68Å; G115-S118 WeakPolarHBondContact O-CB 3.35Å; G115-S118 PolarHBondContact O-OG 2.87Å
116E90.6Very high94Very high180 Ų18058.6 Ų58.684%0.84133%0.327SS*.THydrogen-bonded Turntrans-64146.1-179.1-62.6-178.1166.900112.3S118E116-S118 PolarHBondContact O-N 3.16Å
117N91.1Very high94Very high41 Ų4156.2 Ų56.222%0.21932%0.322CS..THydrogen-bonded Turntrans49.839.6-178.3-72.6-63.5000114H74 W75 D77H74-N117 WeakPolarHBondContact CA-O 3.35Å; W75-N117 HydrophobicContact CD2-CB 4.43Å; W75-N117 HydrophobicContact CG-CB 4.33Å; W75-N117 PolarHBondContact N-O 2.87Å; W75-N117 PolarHBondContact NE1-OD1 3.1Å; D77-N117 PolarHBondContact OD1-ND2 3.27Å; D77-N117 PolarHBondContact OD2-ND2 2.9Å
118S94.8Very high93.8Very high1 Ų153.2 Ų53.21%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-127.1160.9179.5840000112.5C73 W75 A114 G115 E116C73-S118 CarbonylContact O-C 3.53Å; C73-S118 VanDerWaalsContact O-CA 3.29Å; C73-S118 WeakPolarHBondContact O-CA 3.33Å; W75-S118 WeakPolarHBondContact CH2-O 3.46Å; W75-S118 VanDerWaalsContact CZ3-C 3.42Å; A114-S118 WeakPolarHBondContact CA-OG 3.48Å; A114-S118 VanDerWaalsContact CB-OG 3.29Å; A114-S118 WeakPolarHBondContact CB-OG 3.47Å; A114-S118 PolarHBondContact O-OG 3.38Å; G115-S118 PolarHBondContact N-OG 2.68Å; G115-S118 WeakPolarHBondContact O-CB 3.35Å; G115-S118 PolarHBondContact O-OG 2.87Å; E116-S118 PolarHBondContact O-N 3.16Å
119C95.9Very high93.5Very high0 Ų061.9 Ų61.90%034%0.34CS..EExtended strand (participates in β ladder)trans-130.1131.5163.4179.80000108.8S72 C73 W75 L91 C108 D110 F121S72-C119 CarbonylContact C-O 3.52Å; S72-C119 VanDerWaalsContact CA-O 3.24Å; S72-C119 WeakPolarHBondContact CA-O 3.3Å; C73-C119 PolarHBondContact N-O 3.35Å; C73-C119 PolarHBondContact O-N 3.4Å; W75-C119 HydrophobicContact CH2-CB 4.26Å; W75-C119 HydrophobicContact CZ3-CB 3.96Å; L91-C119 HydrophobicContact CB-CB 4.49Å; L91-C119 HydrophobicContact CD1-CB 3.8Å; L91-C119 HydrophobicContact CD2-CB 4.3Å; L91-C119 HydrophobicContact CG-CB 4.44Å; C108-C119 HydrophobicContact CB-CB 4.05Å; C108-C119 WeakPolarHBondContact CB-SG 3.42Å; C108-C119 VanDerWaalsContact SG-CA 3.51Å; C108-C119 WeakPolarHBondContact SG-CB 3.43Å; C108-C119 CovalentContact SG-SG 2.02Å; C108-C119 PolarHBondContact SG-SG 3.48Å; D110-C119 CarbonylContact O-C 3.56Å; D110-C119 WeakPolarHBondContact O-CA 3.44Å; C119-F121 HydrophobicContact CB-CE2 4.23Å; C119-F121 WeakPolarHBondContact SG-CE2 3.25Å; C119-F121 VanDerWaalsContact SG-CZ 3.58Å
120Y97.3Very high93.2Very high64 Ų6461.8 Ų61.825%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-109.5131.8-179.4-179.9-116.6000111.7T70 P109 D110 A114 N122T70-Y120 WeakPolarHBondContact CG2-OH 3.5Å; P109-Y120 WeakPolarHBondContact CG-O 3.34Å; D110-Y120 PolarHBondContact O-N 2.67Å; A114-Y120 HydrophobicContact CB-CD2 4.38Å; A114-Y120 HydrophobicContact CB-CG 4.49Å; Y120-N122 HydrophobicContact CE1-CB 3.97Å
121F96.7Very high93.1Very high0 Ų061.9 Ų61.90%034%0.34CS..EExtended strand (participates in β ladder)trans-114.3105.2176.1-64.9-93.4000108.7T70 F71 L91 Y93 P109 C119 F125 T126T70-F121 VanDerWaalsContact CA-O 3.32Å; T70-F121 WeakPolarHBondContact CA-O 3.48Å; T70-F121 WeakPolarHBondContact CB-O 3.14Å; F71-F121 HydrophobicContact CD1-CB 3.68Å; F71-F121 HydrophobicContact CD1-CD2 4.48Å; F71-F121 HydrophobicContact CD1-CG 4.24Å; F71-F121 HydrophobicContact CD2-CB 4.37Å; F71-F121 AromaticContact CD2-CD2 3.73Å; F71-F121 HydrophobicContact CD2-CD2 3.73Å; F71-F121 HydrophobicContact CD2-CE2 4.4Å; F71-F121 HydrophobicContact CD2-CG 4.29Å; F71-F121 HydrophobicContact CE1-CB 3.48Å; F71-F121 VanDerWaalsContact CE1-CB 3.48Å; F71-F121 HydrophobicContact CE1-CD1 4.24Å; F71-F121 HydrophobicContact CE1-CD2 4.08Å; F71-F121 AromaticContact CE1-CG 3.68Å; F71-F121 HydrophobicContact CE1-CG 3.68Å; F71-F121 HydrophobicContact CE2-CB 4.21Å; F71-F121 HydrophobicContact CE2-CD1 4.48Å; F71-F121 AromaticContact CE2-CD2 3.23Å; F71-F121 HydrophobicContact CE2-CD2 3.23Å; F71-F121 AromaticContact CE2-CE2 3.62Å; F71-F121 HydrophobicContact CE2-CE2 3.62Å; F71-F121 AromaticContact CE2-CG 3.73Å; F71-F121 HydrophobicContact CE2-CG 3.73Å; F71-F121 HydrophobicContact CE2-CZ 4.4Å; F71-F121 HydrophobicContact CG-CB 4.13Å; F71-F121 HydrophobicContact CG-CD2 4.33Å; F71-F121 HydrophobicContact CZ-CB 3.77Å; F71-F121 AromaticContact CZ-CD1 3.87Å; F71-F121 HydrophobicContact CZ-CD1 3.87Å; F71-F121 AromaticContact CZ-CD2 3.44Å; F71-F121 HydrophobicContact CZ-CD2 3.44Å; F71-F121 VanDerWaalsContact CZ-CD2 3.44Å; F71-F121 HydrophobicContact CZ-CE1 4.32Å; F71-F121 AromaticContact CZ-CE2 3.94Å; F71-F121 HydrophobicContact CZ-CE2 3.94Å; F71-F121 AromaticContact CZ-CG 3.4Å; F71-F121 HydrophobicContact CZ-CG 3.4Å; F71-F121 HydrophobicContact CZ-CZ 4.35Å; F71-F121 PolarHBondContact N-O 2.78Å; F71-F121 PolarHBondContact O-N 3.22Å; L91-F121 HydrophobicContact CD2-CZ 4.06Å; Y93-F121 AromaticContact CD1-CE1 3.66Å; Y93-F121 HydrophobicContact CD1-CE1 3.66Å; Y93-F121 HydrophobicContact CD1-CZ 4.1Å; Y93-F121 AromaticContact CD2-CE1 3.81Å; Y93-F121 HydrophobicContact CD2-CE1 3.81Å; Y93-F121 AromaticContact CE1-CE1 3.94Å; Y93-F121 HydrophobicContact CE1-CE1 3.94Å; Y93-F121 HydrophobicContact CE2-CE1 4.07Å; Y93-F121 AromaticContact CG-CE1 3.6Å; Y93-F121 HydrophobicContact CG-CE1 3.6Å; Y93-F121 AromaticContact CG-CZ 3.98Å; Y93-F121 HydrophobicContact CG-CZ 3.98Å; P109-F121 HydrophobicContact CG-CD1 3.94Å; P109-F121 HydrophobicContact CG-CE1 4.13Å; C119-F121 HydrophobicContact CB-CE2 4.23Å; C119-F121 WeakPolarHBondContact SG-CE2 3.25Å; C119-F121 VanDerWaalsContact SG-CZ 3.58Å; F121-F125 HydrophobicContact CB-CB 4.5Å; F121-F125 HydrophobicContact CD1-CB 4.14Å; F121-T126 PolarHBondContact O-OG1 3.18Å
122N95.5Very high93Very high58 Ų5858.5 Ų58.531%0.3133%0.326SS..  trans-67.7177.3174.273.225.9000111.9Y120 S124 F125 T126Y120-N122 HydrophobicContact CE1-CB 3.97Å; N122-S124 PolarHBondContact O-N 2.97Å; N122-S124 WeakPolarHBondContact OD1-CA 2.99Å; N122-S124 WeakPolarHBondContact OD1-CB 3.2Å; N122-S124 PolarHBondContact OD1-N 2.68Å; N122-F125 PolarHBondContact O-N 3.36Å; N122-F125 VanDerWaalsContact O-N 3.1Å; N122-F125 VanDerWaalsContact OD1-CD2 3.28Å; N122-F125 WeakPolarHBondContact OD1-CD2 3.17Å; N122-F125 PolarHBondContact OD1-N 3.14Å; N122-T126 WeakPolarHBondContact O-CB 3.36Å; N122-T126 PolarHBondContact O-N 2.85Å; N122-T126 VanDerWaalsContact O-N 3.09Å; N122-T126 PolarHBondContact O-OG1 2.91Å
123S93.4Very high93Very high73 Ų7353.1 Ų53.151%0.5129%0.294SS..THydrogen-bonded Turntrans-63.2-22.1-178.754.60000114.9E69E69-S123 WeakPolarHBondContact O-CA 3.43Å
124S93.8Very high93Very high103 Ų10349.3 Ų49.372%0.7227%0.267SS*.THydrogen-bonded Turntrans-79.6-23.2175.4-56.70000113.2N122N122-S124 PolarHBondContact O-N 2.97Å; N122-S124 WeakPolarHBondContact OD1-CA 2.99Å; N122-S124 WeakPolarHBondContact OD1-CB 3.2Å; N122-S124 PolarHBondContact OD1-N 2.68Å
125F92.1Very high93.1Very high85 Ų8550.2 Ų50.237%0.37327%0.268SS..THydrogen-bonded Turntrans-99.8-8176-65.9-66.6000113.8Y93 P109 F121 N122 Y132Y93-F125 WeakPolarHBondContact OH-CD1 3.24Å; P109-F125 HydrophobicContact CB-CD2 3.6Å; P109-F125 HydrophobicContact CB-CE1 4.34Å; P109-F125 HydrophobicContact CB-CE2 3.4Å; P109-F125 HydrophobicContact CB-CG 4.17Å; P109-F125 HydrophobicContact CB-CZ 3.8Å; P109-F125 HydrophobicContact CG-CB 4.46Å; P109-F125 HydrophobicContact CG-CD2 3.72Å; P109-F125 HydrophobicContact CG-CE2 4.07Å; P109-F125 HydrophobicContact CG-CG 4.03Å; F121-F125 HydrophobicContact CB-CB 4.5Å; F121-F125 HydrophobicContact CD1-CB 4.14Å; N122-F125 PolarHBondContact O-N 3.36Å; N122-F125 VanDerWaalsContact O-N 3.1Å; N122-F125 VanDerWaalsContact OD1-CD2 3.28Å; N122-F125 WeakPolarHBondContact OD1-CD2 3.17Å; N122-F125 PolarHBondContact OD1-N 3.14Å; F125-Y132 PolarHBondContact O-OH 2.79Å
126T94.2Very high93.2Very high13 Ų1348.5 Ų48.58%0.0825%0.25CC..  trans-97.2146.5-176.7-60.70000111.6E69 F71 F121 N122 Y132 V150E69-T126 WeakPolarHBondContact O-CB 3.43Å; E69-T126 VanDerWaalsContact O-CG2 3.23Å; E69-T126 WeakPolarHBondContact O-CG2 3.28Å; E69-T126 PolarHBondContact O-OG1 2.73Å; F71-T126 HydrophobicContact CD1-CG2 3.85Å; F71-T126 WeakPolarHBondContact CD1-OG1 3.36Å; F71-T126 HydrophobicContact CE1-CG2 4.22Å; F121-T126 PolarHBondContact O-OG1 3.18Å; N122-T126 WeakPolarHBondContact O-CB 3.36Å; N122-T126 PolarHBondContact O-N 2.85Å; N122-T126 VanDerWaalsContact O-N 3.09Å; N122-T126 PolarHBondContact O-OG1 2.91Å; T126-Y132 VanDerWaalsContact C-OH 3.29Å; T126-Y132 WeakPolarHBondContact CA-OH 3.35Å; T126-V150 HydrophobicContact CG2-CG1 3.92Å; T126-V150 HydrophobicContact CG2-CG2 4.09Å
127S92.8Very high93.2Very high45 Ų4540.3 Ų40.332%0.31521%0.212SC..  trans-154.7106179.9-71.60000110W129 I130 Y132S127-W129 VanDerWaalsContact C-N 3.28Å; S127-W129 PolarHBondContact O-N 2.68Å; S127-W129 VanDerWaalsContact O-N 3.12Å; S127-I130 PolarHBondContact O-N 3.39Å; S127-Y132 PolarHBondContact N-OH 3.46Å
128V90.8Very high93Very high14 Ų1438.7 Ų38.79%0.08520%0.204CC..THydrogen-bonded Turntrans-50.3-45.3-166.4-175.90000114R68 D151 W194R68-V128 HydrophobicContact CG-CG1 3.89Å; R68-V128 HydrophobicContact CG-CG2 3.96Å; R68-V128 WeakPolarHBondContact O-CG2 3.21Å; V128-D151 HydrophobicContact CG1-CB 4.18Å; V128-D151 WeakPolarHBondContact CG1-OD1 3.39Å; V128-W194 HydrophobicContact CG2-CH2 3.67Å; V128-W194 HydrophobicContact CG2-CZ2 3.71Å
129W88.2Confident92.4Very high193 Ų19344.1 Ų44.173%0.73123%0.233SC*.THydrogen-bonded Turntrans-97.20.3-169.9-51112.1000114.6S127S127-W129 VanDerWaalsContact C-N 3.28Å; S127-W129 PolarHBondContact O-N 2.68Å; S127-W129 VanDerWaalsContact O-N 3.12Å
130I89.8Confident91.5Very high49 Ų4947 Ų4725%0.25126%0.263SS..SBendtrans-98.6127178.7-56.4-178.5000108.1R95 S127 Y132R95-I130 HydrophobicContact CB-CG2 4.01Å; S127-I130 PolarHBondContact O-N 3.39Å; I130-Y132 WeakPolarHBondContact O-CD2 3.22Å; I130-Y132 WeakPolarHBondContact O-CE2 3.32Å; I130-Y132 PolarHBondContact O-N 3.49Å
131P91.8Very high90.9Very high47 Ų4749.9 Ų49.931%0.30528%0.282SS..EExtended strand (participates in β ladder)trans-71.8128.9175.625.9-30.4000110.8R96R96-P131 HydrophobicContact CB-CG 4.29Å; R96-P131 PolarHBondContact N-O 2.82Å
132Y93.3Very high90.5Very high3 Ų353.9 Ų53.91%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-94.5145.1173.9-72.9-109.6000109.1F71 Y93 F125 T126 S127 I130 C147 F148 V150F71-Y132 HydrophobicContact CE1-CD1 4.37Å; F71-Y132 HydrophobicContact CE1-CE1 4.11Å; F71-Y132 AromaticContact CZ-CD1 3.84Å; F71-Y132 HydrophobicContact CZ-CD1 3.84Å; F71-Y132 AromaticContact CZ-CE1 3.97Å; F71-Y132 HydrophobicContact CZ-CE1 3.97Å; F71-Y132 HydrophobicContact CZ-CG 4.25Å; Y93-Y132 HydrophobicContact CD2-CD1 4.12Å; Y93-Y132 HydrophobicContact CD2-CE1 4.2Å; Y93-Y132 HydrophobicContact CE2-CE1 4.39Å; F125-Y132 PolarHBondContact O-OH 2.79Å; T126-Y132 VanDerWaalsContact C-OH 3.29Å; T126-Y132 WeakPolarHBondContact CA-OH 3.35Å; S127-Y132 PolarHBondContact N-OH 3.46Å; I130-Y132 WeakPolarHBondContact O-CD2 3.22Å; I130-Y132 WeakPolarHBondContact O-CE2 3.32Å; I130-Y132 PolarHBondContact O-N 3.49Å; Y132-C147 CarbonylContact O-C 3.54Å; Y132-C147 WeakPolarHBondContact O-CA 3.24Å; Y132-C147 WeakPolarHBondContact O-CB 3.46Å; Y132-F148 PolarHBondContact N-O 2.92Å; Y132-F148 PolarHBondContact O-N 3.34Å; Y132-V150 HydrophobicContact CD2-CG2 3.88Å; Y132-V150 HydrophobicContact CE2-CG2 3.72Å
133C93.4Very high90.2Very high7 Ų753 Ų535%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-121.4130.3160.4-69.40000108.3Y93 T94 W105 K146 C147Y93-C133 CarbonylContact C-O 3.52Å; Y93-C133 WeakPolarHBondContact CA-O 3.29Å; T94-C133 HydrophobicContact CG2-CB 3.94Å; T94-C133 PolarHBondContact N-O 2.9Å; T94-C133 PolarHBondContact O-N 3.44Å; W105-C133 HydrophobicContact CH2-CB 4.15Å; W105-C133 WeakPolarHBondContact CZ3-O 3.48Å; C133-K146 CarbonylContact C-O 3.49Å; C133-K146 WeakPolarHBondContact CA-O 3.12Å; C133-C147 HydrophobicContact CB-CB 4.11Å; C133-C147 WeakPolarHBondContact CB-SG 3.35Å; C133-C147 WeakPolarHBondContact SG-CB 3.47Å; C133-C147 CovalentContact SG-SG 2.05Å; C133-C147 PolarHBondContact SG-SG 2.94Å
134I94.1Very high90.1Very high2 Ų251.6 Ų51.61%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-120.7151.7177.564176.5000110.1F60 C73 L91 F92 G145 K146 F148F60-I134 HydrophobicContact CD1-CD1 4.1Å; F60-I134 HydrophobicContact CE1-CD1 3.41Å; F60-I134 VanDerWaalsContact CE1-CD1 3.41Å; F60-I134 HydrophobicContact CE1-CG1 4.17Å; F60-I134 HydrophobicContact CE2-CD1 3.93Å; F60-I134 HydrophobicContact CE2-CG1 3.82Å; F60-I134 HydrophobicContact CZ-CB 4.11Å; F60-I134 HydrophobicContact CZ-CD1 3.29Å; F60-I134 HydrophobicContact CZ-CG1 3.51Å; C73-I134 HydrophobicContact CB-CD1 4.06Å; C73-I134 WeakPolarHBondContact SG-CD1 3.49Å; L91-I134 HydrophobicContact CD2-CB 4.44Å; L91-I134 HydrophobicContact CD2-CG2 4.44Å; F92-I134 CarbonylContact O-C 3.59Å; F92-I134 VanDerWaalsContact O-CA 3.31Å; F92-I134 WeakPolarHBondContact O-CA 3.38Å; I134-G145 CarbonylContact O-C 3.52Å; I134-G145 VanDerWaalsContact O-CA 3.25Å; I134-G145 WeakPolarHBondContact O-CA 3.47Å; I134-K146 HydrophobicContact CG1-CB 4.26Å; I134-K146 WeakPolarHBondContact CG1-O 3.4Å; I134-K146 PolarHBondContact N-O 2.86Å; I134-K146 PolarHBondContact O-N 3.16Å; I134-F148 HydrophobicContact CD1-CE1 3.65Å; I134-F148 HydrophobicContact CD1-CZ 4.03Å; I134-F148 HydrophobicContact CG1-CE1 4.01Å
135K93.8Very high90Very high41 Ų4149 Ų4918%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-141.2141.7175.567.7-177.9-177.9179.80110.8L91 F92 W105 T137 T142 D144L91-K135 WeakPolarHBondContact CA-O 3.43Å; F92-K135 HydrophobicContact CB-CD 4.36Å; F92-K135 HydrophobicContact CB-CG 3.85Å; F92-K135 PolarHBondContact N-O 3.37Å; F92-K135 PolarHBondContact O-N 3.08Å; W105-K135 HydrophobicContact CD2-CD 4.03Å; W105-K135 HydrophobicContact CE3-CD 3.8Å; W105-K135 HydrophobicContact CE3-CG 3.92Å; W105-K135 HydrophobicContact CH2-CB 4.31Å; W105-K135 HydrophobicContact CH2-CD 3.91Å; W105-K135 HydrophobicContact CH2-CG 4.12Å; W105-K135 HydrophobicContact CZ2-CD 4.14Å; W105-K135 HydrophobicContact CZ3-CB 4.12Å; W105-K135 HydrophobicContact CZ3-CD 3.74Å; W105-K135 HydrophobicContact CZ3-CG 3.64Å; K135-T137 HydrophobicContact CD-CG2 4.38Å; K135-T137 HydrophobicContact CG-CG2 4.37Å; K135-T142 HydrophobicContact CB-CG2 3.92Å; K135-T142 HydrophobicContact CD-CG2 4.28Å; K135-D144 CarbonylContact C-O 3.56Å; K135-D144 VanDerWaalsContact CA-O 3.28Å; K135-D144 WeakPolarHBondContact CA-O 3.18Å
136L93.3Very high90.1Very high0 Ų049.5 Ų49.50%028%0.282CS..EExtended strand (participates in β ladder)trans-93.1134.8167.5-69.9165.8000108.8F60 W75 I89 L91 T142 V143 D144F60-L136 HydrophobicContact CD1-CD1 3.98Å; F60-L136 HydrophobicContact CD1-CG 4.4Å; F60-L136 HydrophobicContact CD2-CD1 3.91Å; F60-L136 HydrophobicContact CD2-CG 4.24Å; F60-L136 HydrophobicContact CE1-CD1 3.97Å; F60-L136 HydrophobicContact CE1-CD2 4.14Å; F60-L136 HydrophobicContact CE1-CG 3.88Å; F60-L136 HydrophobicContact CE2-CD1 3.91Å; F60-L136 HydrophobicContact CE2-CG 3.71Å; F60-L136 HydrophobicContact CG-CD1 3.96Å; F60-L136 HydrophobicContact CZ-CD1 3.94Å; F60-L136 HydrophobicContact CZ-CD2 4.08Å; F60-L136 HydrophobicContact CZ-CG 3.51Å; W75-L136 HydrophobicContact CB-CD1 3.61Å; W75-L136 HydrophobicContact CB-CD2 4.46Å; W75-L136 HydrophobicContact CD2-CD1 4.42Å; W75-L136 HydrophobicContact CD2-CD2 3.64Å; W75-L136 HydrophobicContact CE3-CD2 3.67Å; W75-L136 HydrophobicContact CG-CD1 4Å; W75-L136 HydrophobicContact CG-CD2 4.02Å; W75-L136 HydrophobicContact CZ3-CD2 4.16Å; I89-L136 HydrophobicContact CG2-CD2 3.84Å; L91-L136 HydrophobicContact CB-CD2 4.13Å; L91-L136 HydrophobicContact CD1-CD2 4.26Å; L91-L136 HydrophobicContact CG-CD2 4.45Å; L136-T142 WeakPolarHBondContact O-CA 3.37Å; L136-V143 PolarHBondContact O-N 3.25Å; L136-D144 HydrophobicContact CB-CB 4.46Å; L136-D144 HydrophobicContact CD1-CB 4.34Å; L136-D144 PolarHBondContact N-O 3.3Å
137T90.4Very high90Very high7 Ų752.6 Ų52.64%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-123.6142.3176.6560000110.6I89 Q90 F92 K135 D141I89-T137 WeakPolarHBondContact CA-O 3.27Å; Q90-T137 PolarHBondContact N-O 2.9Å; Q90-T137 PolarHBondContact O-N 2.86Å; Q90-T137 PolarHBondContact O-OG1 3.46Å; F92-T137 HydrophobicContact CD2-CG2 4.05Å; F92-T137 WeakPolarHBondContact CD2-OG1 3.18Å; F92-T137 HydrophobicContact CE2-CG2 4.45Å; F92-T137 WeakPolarHBondContact CE2-OG1 3.39Å; K135-T137 HydrophobicContact CD-CG2 4.38Å; K135-T137 HydrophobicContact CG-CG2 4.37Å; T137-D141 CarbonylContact C-O 3.6Å; T137-D141 WeakPolarHBondContact CA-O 3.38Å
138S87.4Confident90.1Very high8 Ų850.8 Ų50.86%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-136.1126.2175.4171.20000108L86 G140 D141L86-S138 WeakPolarHBondContact CD2-OG 3.45Å; L86-S138 WeakPolarHBondContact CG-OG 3.48Å; S138-G140 PolarHBondContact O-N 3.12Å; S138-G140 VanDerWaalsContact O-N 3.09Å; S138-D141 PolarHBondContact N-O 3.09Å; S138-D141 PolarHBondContact O-N 2.98Å; S138-D141 VanDerWaalsContact O-N 3.1Å
139N81.6Confident90.1Very high114 Ų11451.3 Ų51.361%0.6129%0.294SS*.THydrogen-bonded Turntrans55.219-172-57.3-36.5000114.8G87G87-N139 VanDerWaalsContact CA-OD1 3.29Å; G87-N139 WeakPolarHBondContact CA-OD1 3.26Å; G87-N139 PolarHBondContact N-OD1 3.46Å
140G78.4Confident90.4Very high61 Ų6142.1 Ų42.163%0.62926%0.259SS*.THydrogen-bonded Turntrans94.9-21.4-175.600000114.9S138S138-G140 PolarHBondContact O-N 3.12Å; S138-G140 VanDerWaalsContact O-N 3.09Å
141D84.4Confident90.4Very high124 Ų12441.8 Ų41.866%0.66326%0.258SS*.EExtended strand (participates in β ladder)trans-75.3141.8174.5-71.3-46.3000110.8T137 S138T137-D141 CarbonylContact C-O 3.6Å; T137-D141 WeakPolarHBondContact CA-O 3.38Å; S138-D141 PolarHBondContact N-O 3.09Å; S138-D141 PolarHBondContact O-N 2.98Å; S138-D141 VanDerWaalsContact O-N 3.1Å
142T87.3Confident90.4Very high85 Ų8544.7 Ų44.752%0.52127%0.268SS..EExtended strand (participates in β ladder)trans-84.7118.8176.7-60.30000110.2K135 L136K135-T142 HydrophobicContact CB-CG2 3.92Å; K135-T142 HydrophobicContact CD-CG2 4.28Å; L136-T142 WeakPolarHBondContact O-CA 3.37Å
143V90Very high90.4Very high40 Ų4045.1 Ų45.124%0.24227%0.27CS..EExtended strand (participates in β ladder)trans-95.5-40.5-173.6-176.60000112E57 P58 L136E57-V143 HydrophobicContact CB-CG1 3.77Å; E57-V143 HydrophobicContact CG-CG1 4.45Å; P58-V143 HydrophobicContact CG-CG1 4.21Å; P58-V143 VanDerWaalsContact O-CG1 3.29Å; P58-V143 WeakPolarHBondContact O-CG1 3.17Å; L136-V143 PolarHBondContact O-N 3.25Å
144D91.6Very high90.5Very high43 Ų4344.8 Ų44.823%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-148.6157.1-177.5-166.911.4000110.1K59 F60 K135 L136K59-D144 WeakPolarHBondContact CA-OD2 3.38Å; K59-D144 HydrophobicContact CG-CB 4.23Å; F60-D144 HydrophobicContact CD2-CB 4.28Å; F60-D144 WeakPolarHBondContact CD2-OD2 2.8Å; F60-D144 PolarHBondContact N-OD2 3.4Å; K135-D144 CarbonylContact C-O 3.56Å; K135-D144 VanDerWaalsContact CA-O 3.28Å; K135-D144 WeakPolarHBondContact CA-O 3.18Å; L136-D144 HydrophobicContact CB-CB 4.46Å; L136-D144 HydrophobicContact CD1-CB 4.34Å; L136-D144 PolarHBondContact N-O 3.3Å
145G92.3Very high90.6Very high49 Ų4946.5 Ų46.551%0.50528%0.276SS..EExtended strand (participates in β ladder)trans-164.2138.2-176.700000113.4I134I134-G145 CarbonylContact O-C 3.52Å; I134-G145 VanDerWaalsContact O-CA 3.25Å; I134-G145 WeakPolarHBondContact O-CA 3.47Å
146K93.1Very high90.6Very high94 Ų9444.6 Ų44.641%0.40927%0.268SS..EExtended strand (participates in β ladder)trans-139.9143.2-176-166.6-177.1178.2-177.30110.2F60 C133 I134 F148F60-K146 HydrophobicContact CD2-CB 4.49Å; C133-K146 CarbonylContact C-O 3.49Å; C133-K146 WeakPolarHBondContact CA-O 3.12Å; I134-K146 HydrophobicContact CG1-CB 4.26Å; I134-K146 WeakPolarHBondContact CG1-O 3.4Å; I134-K146 PolarHBondContact N-O 2.86Å; I134-K146 PolarHBondContact O-N 3.16Å; K146-F148 HydrophobicContact CD-CD1 3.98Å; K146-F148 HydrophobicContact CD-CE1 4.37Å; K146-F148 HydrophobicContact CG-CD1 4.07Å
147C93.2Very high90.8Very high78 Ų7846.5 Ų46.553%0.52728%0.278SS..EExtended strand (participates in β ladder)trans-116.8148.3165.1-530000110.1Y132 C133Y132-C147 CarbonylContact O-C 3.54Å; Y132-C147 WeakPolarHBondContact O-CA 3.24Å; Y132-C147 WeakPolarHBondContact O-CB 3.46Å; C133-C147 HydrophobicContact CB-CB 4.11Å; C133-C147 WeakPolarHBondContact CB-SG 3.35Å; C133-C147 WeakPolarHBondContact SG-CB 3.47Å; C133-C147 CovalentContact SG-SG 2.05Å; C133-C147 PolarHBondContact SG-SG 2.94Å
148F93.2Very high91.1Very high8 Ų848 Ų484%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-163.9157.6177.950.7-95.4000110.4C63 F71 Y132 I134 K146 E152 I153C63-F148 HydrophobicContact CB-CE1 4.19Å; C63-F148 HydrophobicContact CB-CZ 4.18Å; F71-F148 HydrophobicContact CD2-CE2 4.25Å; F71-F148 HydrophobicContact CD2-CZ 4.37Å; F71-F148 AromaticContact CE2-CE2 3.91Å; F71-F148 HydrophobicContact CE2-CE2 3.91Å; F71-F148 AromaticContact CE2-CZ 3.9Å; F71-F148 HydrophobicContact CE2-CZ 3.9Å; F71-F148 HydrophobicContact CZ-CE2 4.43Å; Y132-F148 PolarHBondContact N-O 2.92Å; Y132-F148 PolarHBondContact O-N 3.34Å; I134-F148 HydrophobicContact CD1-CE1 3.65Å; I134-F148 HydrophobicContact CD1-CZ 4.03Å; I134-F148 HydrophobicContact CG1-CE1 4.01Å; K146-F148 HydrophobicContact CD-CD1 3.98Å; K146-F148 HydrophobicContact CD-CE1 4.37Å; K146-F148 HydrophobicContact CG-CD1 4.07Å; F148-E152 WeakPolarHBondContact CA-OE2 3.23Å; F148-I153 HydrophobicContact CB-CG2 3.99Å; F148-I153 HydrophobicContact CD1-CG2 4.47Å; F148-I153 HydrophobicContact CD2-CD1 3.8Å; F148-I153 HydrophobicContact CD2-CG1 3.98Å; F148-I153 HydrophobicContact CD2-CG2 3.84Å; F148-I153 HydrophobicContact CE2-CD1 3.46Å; F148-I153 VanDerWaalsContact CE2-CD1 3.46Å; F148-I153 HydrophobicContact CE2-CG1 4.17Å; F148-I153 HydrophobicContact CE2-CG2 4.49Å; F148-I153 HydrophobicContact CG-CG2 3.85Å; F148-I153 HydrophobicContact CZ-CD1 4.15Å
149S92.6Very high91.5Very high25 Ų2547.8 Ų47.818%0.17529%0.286CS..EExtended strand (participates in β ladder)trans-85.5147.4160.6-460000109.4D151 E152S149-D151 PolarHBondContact O-N 3.01Å; S149-E152 VanDerWaalsContact CB-CD 3.47Å; S149-E152 WeakPolarHBondContact CB-OE1 3.23Å; S149-E152 VanDerWaalsContact N-CD 3.29Å; S149-E152 PolarHBondContact N-OE1 2.98Å; S149-E152 PolarHBondContact N-OE2 3.41Å; S149-E152 WeakPolarHBondContact O-CB 3.07Å; S149-E152 PolarHBondContact O-N 2.88Å; S149-E152 PolarHBondContact OG-OE1 3.33Å
150V93.1Very high92.2Very high0 Ų045.7 Ų45.70%027%0.274CS..G310 helixtrans-60-34.3176.9178.30000110.5F71 T126 Y132 E152 I153 V154F71-V150 HydrophobicContact CD1-CG1 4.49Å; F71-V150 HydrophobicContact CD1-CG2 4.05Å; F71-V150 HydrophobicContact CE1-CG2 4Å; T126-V150 HydrophobicContact CG2-CG1 3.92Å; T126-V150 HydrophobicContact CG2-CG2 4.09Å; Y132-V150 HydrophobicContact CD2-CG2 3.88Å; Y132-V150 HydrophobicContact CE2-CG2 3.72Å; V150-E152 PolarHBondContact O-N 2.81Å; V150-I153 WeakPolarHBondContact O-CG1 3.47Å; V150-I153 PolarHBondContact O-N 2.96Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 3.26Å
151D90.8Very high93.1Very high41 Ų4145 Ų4522%0.21926%0.262CS..G310 helixtrans-53.4-37.3174.4-147.471000113.7V128 S149 R241V128-D151 HydrophobicContact CG1-CB 4.18Å; V128-D151 WeakPolarHBondContact CG1-OD1 3.39Å; S149-D151 PolarHBondContact O-N 3.01Å; D151-R241 VanDerWaalsContact CG-NH2 3.27Å; D151-R241 PolarHBondContact O-NH1 3.11Å; D151-R241 IonicContact OD1-CZ 2.64Å; D151-R241 IonicContact OD1-NH1 2.88Å; D151-R241 PolarHBondContact OD1-NH1 3.34Å; D151-R241 IonicContact OD1-NH2 3.83Å; D151-R241 PolarHBondContact OD1-NH2 3.32Å; D151-R241 IonicContact OD2-CZ 2.61Å; D151-R241 IonicContact OD2-NH1 2.69Å; D151-R241 PolarHBondContact OD2-NH1 2.88Å; D151-R241 VanDerWaalsContact OD2-NH1 3.11Å; D151-R241 IonicContact OD2-NH2 3.72Å; D151-R241 PolarHBondContact OD2-NH2 2.79Å
152E91.1Very high93.7Very high109 Ų10940.4 Ų40.451%0.50924%0.237SC..G310 helixtrans-80.1-20.1-176.7-62.3155.2-159.500113.3F148 S149 V150 N246F148-E152 WeakPolarHBondContact CA-OE2 3.23Å; S149-E152 VanDerWaalsContact CB-CD 3.47Å; S149-E152 WeakPolarHBondContact CB-OE1 3.23Å; S149-E152 VanDerWaalsContact N-CD 3.29Å; S149-E152 PolarHBondContact N-OE1 2.98Å; S149-E152 PolarHBondContact N-OE2 3.41Å; S149-E152 WeakPolarHBondContact O-CB 3.07Å; S149-E152 PolarHBondContact O-N 2.88Å; S149-E152 PolarHBondContact OG-OE1 3.33Å; V150-E152 PolarHBondContact O-N 2.81Å; E152-N246 PolarHBondContact O-ND2 3.42Å
153I94Very high94.2Very high12 Ų1241 Ų416%0.06224%0.237CC..G310 helixtrans-105.412.3179.464.2156.1000112.9C63 S65 F71 F148 V150 Q155C63-I153 HydrophobicContact CB-CD1 4.08Å; S65-I153 PolarHBondContact N-O 3Å; F71-I153 HydrophobicContact CB-CD1 3.89Å; F71-I153 HydrophobicContact CD2-CD1 3.9Å; F71-I153 HydrophobicContact CG-CD1 4.05Å; F148-I153 HydrophobicContact CB-CG2 3.99Å; F148-I153 HydrophobicContact CD1-CG2 4.47Å; F148-I153 HydrophobicContact CD2-CD1 3.8Å; F148-I153 HydrophobicContact CD2-CG1 3.98Å; F148-I153 HydrophobicContact CD2-CG2 3.84Å; F148-I153 HydrophobicContact CE2-CD1 3.46Å; F148-I153 VanDerWaalsContact CE2-CD1 3.46Å; F148-I153 HydrophobicContact CE2-CG1 4.17Å; F148-I153 HydrophobicContact CE2-CG2 4.49Å; F148-I153 HydrophobicContact CG-CG2 3.85Å; F148-I153 HydrophobicContact CZ-CD1 4.15Å; V150-I153 WeakPolarHBondContact O-CG1 3.47Å; V150-I153 PolarHBondContact O-N 2.96Å; I153-Q155 PolarHBondContact O-N 2.9Å
154V94.5Very high94.5Very high0 Ų042.5 Ų42.50%024%0.239CC..BIsolated β-bridgetrans-65117.3171.4-178.80000109.2S65 R68 V150 P156 M195 R241 N246S65-V154 CarbonylContact O-C 3.51Å; S65-V154 VanDerWaalsContact O-CA 3.31Å; S65-V154 WeakPolarHBondContact O-CA 3.31Å; R68-V154 HydrophobicContact CB-CG2 3.86Å; R68-V154 HydrophobicContact CG-CG2 3.58Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 3.26Å; V154-P156 HydrophobicContact CG1-CG 4.1Å; V154-M195 HydrophobicContact CG1-CE 4.18Å; V154-R241 HydrophobicContact CG1-CB 4.1Å; V154-N246 VanDerWaalsContact O-CB 3.25Å; V154-N246 WeakPolarHBondContact O-CB 3.46Å; V154-N246 PolarHBondContact O-ND2 3.05Å
155Q95.7Very high94.8Very high38 Ų3843.7 Ų43.718%0.17825%0.248CC..  trans-138.890.6175.5178.6-178.727.100106.7R64 S65 I153 N246 Y247R64-Q155 HydrophobicContact CG-CB 4.18Å; R64-Q155 PolarHBondContact NE-O 2.87Å; R64-Q155 PolarHBondContact NH2-O 3.43Å; R64-Q155 VanDerWaalsContact NH2-O 3.09Å; S65-Q155 PolarHBondContact O-N 3.31Å; I153-Q155 PolarHBondContact O-N 2.9Å; Q155-N246 HydrophobicContact CB-CB 4.43Å; Q155-Y247 VanDerWaalsContact CG-O 3.29Å; Q155-Y247 WeakPolarHBondContact CG-O 3.38Å; Q155-Y247 PolarHBondContact NE2-O 2.8Å
156P95.7Very high94.9Very high1 Ų145 Ų451%0.00624%0.243CC..PPolyproline II helixtrans-63.5165-169.3-2133.3000113.7R64 P66 V154 M195 L197 G248R64-P156 PolarHBondContact NH2-O 2.81Å; P66-P156 WeakPolarHBondContact O-CA 3.4Å; V154-P156 HydrophobicContact CG1-CG 4.1Å; P156-M195 HydrophobicContact CB-CE 4.09Å; P156-M195 HydrophobicContact CG-CE 3.78Å; P156-L197 HydrophobicContact CB-CD2 3.94Å; P156-L197 HydrophobicContact CG-CD2 3.58Å; P156-G248 WeakPolarHBondContact O-CA 3.41Å
157D96.1Very high95Very high40 Ų4044.9 Ų44.921%0.21425%0.246CC..PPolyproline II helixtrans-71.5157.4173.3-76.7-49.5000112.1R64 P66 P185 N187 S239R64-D157 IonicContact CZ-OD1 2.68Å; R64-D157 VanDerWaalsContact CZ-OD1 3.23Å; R64-D157 IonicContact NH1-OD1 2.86Å; R64-D157 PolarHBondContact NH1-OD1 2.84Å; R64-D157 VanDerWaalsContact NH2-CA 3.32Å; R64-D157 IonicContact NH2-OD1 3.33Å; R64-D157 PolarHBondContact NH2-OD1 3.2Å; P66-D157 WeakPolarHBondContact CB-OD2 3.48Å; D157-P185 HydrophobicContact CB-CB 4Å; D157-P185 HydrophobicContact CB-CG 4.47Å; D157-P185 WeakPolarHBondContact O-CG 3.2Å; D157-N187 PolarHBondContact OD2-ND2 2.84Å; D157-S239 PolarHBondContact O-OG 2.79Å
158P96.9Very high94.9Very high38 Ų3845.5 Ų45.525%0.24724%0.244CC..PPolyproline II helixtrans-61.5148.5177.923.7-34.3000112.1
159P96.8Very high94.8Very high3 Ų347.4 Ų47.42%0.01926%0.256CS..PPolyproline II helixtrans-59.7148.9167.8-20.733.9000111.7L162 W182 Y199 V237 S251P159-L162 HydrophobicContact CB-CD1 4.39Å; P159-W182 HydrophobicContact CB-CB 4.24Å; P159-W182 HydrophobicContact CB-CG 4.08Å; P159-Y199 HydrophobicContact CB-CE1 4.48Å; P159-Y199 HydrophobicContact CG-CD1 3.69Å; P159-Y199 HydrophobicContact CG-CE1 3.91Å; P159-V237 HydrophobicContact CG-CB 4.23Å; P159-V237 HydrophobicContact CG-CG1 3.97Å; P159-S251 WeakPolarHBondContact O-CB 3.35Å
160I96.4Very high94.7Very high71 Ų7147.9 Ų47.936%0.36426%0.26SS..EExtended strand (participates in β ladder)trans-117.2175.1-177.261.2164.1000111.2L162 E183 P186I160-L162 VanDerWaalsContact C-N 3.28Å; I160-L162 PolarHBondContact O-N 2.84Å; I160-E183 HydrophobicContact CG1-CB 4.12Å; I160-E183 PolarHBondContact N-O 3.39Å; I160-E183 PolarHBondContact O-N 3.37Å; I160-P186 HydrophobicContact CD1-CG 4.27Å
161A96.2Very high94.3Very high46 Ų4657 Ų5738%0.3831%0.308SS..EExtended strand (participates in β ladder)trans51.941.7176.600000114.1N163 E183A161-N163 PolarHBondContact O-N 3.36Å; A161-N163 PolarHBondContact O-ND2 2.9Å; A161-E183 HydrophobicContact CB-CB 4.22Å; A161-E183 HydrophobicContact CB-CG 4.08Å
162L97.4Very high94Very high27 Ų2759.9 Ų59.914%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-60.4127.1175-88.473000110.4P159 I160 R181 W182 V237 S251 L254P159-L162 HydrophobicContact CB-CD1 4.39Å; I160-L162 VanDerWaalsContact C-N 3.28Å; I160-L162 PolarHBondContact O-N 2.84Å; L162-R181 WeakPolarHBondContact CA-O 3.42Å; L162-W182 HydrophobicContact CD1-CB 3.95Å; L162-W182 HydrophobicContact CG-CB 4.18Å; L162-V237 HydrophobicContact CD2-CG2 4.05Å; L162-S251 WeakPolarHBondContact CD2-OG 3.25Å; L162-L254 HydrophobicContact CB-CB 4.08Å; L162-L254 HydrophobicContact CB-CD2 4.22Å; L162-L254 HydrophobicContact CD2-CB 4.04Å
163N97.4Very high93.7Very high98 Ų9856.1 Ų56.152%0.52432%0.317SS..EExtended strand (participates in β ladder)trans-141.6161.2-179.6-79.3-83.9000109.6A161 R181A161-N163 PolarHBondContact O-N 3.36Å; A161-N163 PolarHBondContact O-ND2 2.9Å; N163-R181 PolarHBondContact N-O 2.8Å; N163-R181 PolarHBondContact O-N 2.83Å; N163-R181 VanDerWaalsContact O-O 3.13Å
164W97.3Very high93.5Very high71 Ų7160 Ų6027%0.26934%0.337SS..EExtended strand (participates in β ladder)trans-134.8154170.867.3-86.9000111.6L166 I178 Q179 L254 V256 T257 L258W164-L166 HydrophobicContact CZ3-CB 4.46Å; W164-I178 HydrophobicContact CB-CD1 4.25Å; W164-I178 HydrophobicContact CE3-CB 4.35Å; W164-I178 HydrophobicContact CE3-CG2 3.85Å; W164-I178 HydrophobicContact CZ3-CG2 4.18Å; W164-Q179 CarbonylContact C-O 3.53Å; W164-Q179 VanDerWaalsContact CA-O 3.28Å; W164-Q179 WeakPolarHBondContact CA-O 3.33Å; W164-L254 HydrophobicContact CB-CD2 4.2Å; W164-V256 HydrophobicContact CB-CG2 4.5Å; W164-V256 HydrophobicContact CD2-CG1 3.95Å; W164-V256 HydrophobicContact CD2-CG2 4.48Å; W164-V256 HydrophobicContact CE3-CG1 4.28Å; W164-V256 HydrophobicContact CG-CG1 4.34Å; W164-V256 HydrophobicContact CG-CG2 4.02Å; W164-V256 HydrophobicContact CZ2-CG1 4.19Å; W164-T257 WeakPolarHBondContact CZ2-O 3.31Å; W164-L258 HydrophobicContact CZ3-CD2 4.21Å
165T96.5Very high93.4Very high68 Ų6863 Ų6342%0.41735%0.351SS..EExtended strand (participates in β ladder)trans-135.7138.2171.854.70000109.7L167 I178 Q179T165-L167 PolarHBondContact O-N 2.96Å; T165-I178 CarbonylContact O-C 3.45Å; T165-I178 WeakPolarHBondContact O-CA 3.36Å; T165-Q179 PolarHBondContact N-O 3.09Å; T165-Q179 PolarHBondContact O-N 2.85Å
166L95.7Very high93.4Very high76 Ų7661.3 Ų61.340%0.39834%0.343SS..EExtended strand (participates in β ladder)trans-61.2129.5172.2-172.566.2000110.1W164 V169 A176 L258 P259W164-L166 HydrophobicContact CZ3-CB 4.46Å; L166-V169 HydrophobicContact CD1-CG2 4.1Å; L166-V169 HydrophobicContact CD2-CG2 3.93Å; L166-V169 HydrophobicContact CG-CG2 4.36Å; L166-A176 HydrophobicContact CD1-CB 3.89Å; L166-L258 HydrophobicContact CD1-CD2 4.06Å; L166-P259 HydrophobicContact CD2-CG 4.49Å
167L93.6Very high93.4Very high92 Ų9262.7 Ų62.748%0.48235%0.351SS..EExtended strand (participates in β ladder)trans-97-48.9173.4-75172.4000111.3T165 D177 Q179 P223T165-L167 PolarHBondContact O-N 2.96Å; L167-D177 HydrophobicContact CB-CB 4.3Å; L167-D177 WeakPolarHBondContact CB-O 3.27Å; L167-D177 PolarHBondContact N-O 2.95Å; L167-Q179 HydrophobicContact CD1-CB 3.99Å; L167-Q179 HydrophobicContact CD2-CB 4.03Å; L167-Q179 HydrophobicContact CG-CB 3.92Å; L167-P223 HydrophobicContact CD1-CB 3.86Å
168N91.7Very high93.4Very high92 Ų9260.8 Ų60.849%0.49234%0.34SS..EExtended strand (participates in β ladder)trans-156.1158.3-170.7-169.329.5000110.8A176 D177N168-A176 WeakPolarHBondContact O-CA 3.4Å; N168-A176 WeakPolarHBondContact O-CB 3.42Å; N168-D177 HydrophobicContact CB-CB 4.24Å; N168-D177 PolarHBondContact N-O 3.42Å; N168-D177 PolarHBondContact O-N 2.82Å
169V91.3Very high93.5Very high47 Ų4760.8 Ų60.829%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-127.6137172.7-175.20000107.7L166 A176L166-V169 HydrophobicContact CD1-CG2 4.1Å; L166-V169 HydrophobicContact CD2-CG2 3.93Å; L166-V169 HydrophobicContact CG-CG2 4.36Å; V169-A176 HydrophobicContact CG2-CB 4.37Å
170S90.3Very high93.5Very high36 Ų3660.7 Ų60.725%0.25234%0.336SS..  trans-60.7149.7175.360.40000111.2T172 G173 I174 H175S170-T172 PolarHBondContact O-N 2.79Å; S170-T172 PolarHBondContact OG-OG1 3.21Å; S170-G173 PolarHBondContact O-N 3.47Å; S170-I174 PolarHBondContact OG-N 2.82Å; S170-H175 WeakPolarHBondContact CB-O 3.23Å; S170-H175 PolarHBondContact N-O 2.68Å; S170-H175 PolarHBondContact OG-N 2.93Å; S170-H175 PolarHBondContact OG-O 3.01Å
171L85.8Confident93.6Very high191 Ų19164.1 Ų64.1100%135%0.345SS*.THydrogen-bonded Turntrans-56.9-18.4178.5-63.6174.2000113.8
172T83.7Confident93.7Very high102 Ų10262.3 Ų62.363%0.62633%0.328SS*.THydrogen-bonded Turntrans-93.6-6.5177.356.10000114S170 I174S170-T172 PolarHBondContact O-N 2.79Å; S170-T172 PolarHBondContact OG-OG1 3.21Å; T172-I174 PolarHBondContact O-N 2.96Å; T172-I174 VanDerWaalsContact O-N 3.14Å
173G84.9Confident93.6Very high29 Ų2966.6 Ų66.630%0.29935%0.347SS..SBendtrans70.3-3.9-173.600000115.5S170 V229S170-G173 PolarHBondContact O-N 3.47Å; G173-V229 WeakPolarHBondContact O-CG2 3.46Å
174I89.4Confident93.5Very high93 Ų9363.4 Ų63.448%0.47734%0.335SS..SBendtrans-77.4-36.7-173.1-58.4170.4000111.8S170 T172 K228 V229S170-I174 PolarHBondContact OG-N 2.82Å; T172-I174 PolarHBondContact O-N 2.96Å; T172-I174 VanDerWaalsContact O-N 3.14Å; I174-K228 WeakPolarHBondContact O-CA 3.33Å; I174-V229 PolarHBondContact O-N 3.19Å
175H93.5Very high93.5Very high64 Ų6460.1 Ų60.130%0.29632%0.322SS..EExtended strand (participates in β ladder)trans-121.7154-179.1-56.290.7000111.8S170 L227S170-H175 WeakPolarHBondContact CB-O 3.23Å; S170-H175 PolarHBondContact N-O 2.68Å; S170-H175 PolarHBondContact OG-N 2.93Å; S170-H175 PolarHBondContact OG-O 3.01Å; H175-L227 CarbonylContact C-O 3.52Å; H175-L227 WeakPolarHBondContact CA-O 3.29Å
176A94.5Very high93.3Very high2 Ų262.3 Ų62.32%0.01734%0.338CS..EExtended strand (participates in β ladder)trans-140.2156.917400000111.5L166 N168 V169 S226 L227 V229 L258L166-A176 HydrophobicContact CD1-CB 3.89Å; N168-A176 WeakPolarHBondContact O-CA 3.4Å; N168-A176 WeakPolarHBondContact O-CB 3.42Å; V169-A176 HydrophobicContact CG2-CB 4.37Å; A176-S226 PolarHBondContact O-N 2.69Å; A176-L227 PolarHBondContact N-O 3.18Å; A176-L227 PolarHBondContact O-N 3.09Å; A176-V229 HydrophobicContact CB-CG2 3.93Å; A176-L258 HydrophobicContact CB-CD1 4.01Å; A176-L258 HydrophobicContact CB-CD2 3.92Å
177D96.1Very high93.1Very high31 Ų3161.3 Ų61.317%0.16633%0.333CS..EExtended strand (participates in β ladder)trans-112.2138.1175-53.5-46.4000108.8L167 N168 Y225 S226L167-D177 HydrophobicContact CB-CB 4.3Å; L167-D177 WeakPolarHBondContact CB-O 3.27Å; L167-D177 PolarHBondContact N-O 2.95Å; N168-D177 HydrophobicContact CB-CB 4.24Å; N168-D177 PolarHBondContact N-O 3.42Å; N168-D177 PolarHBondContact O-N 2.82Å; D177-Y225 HydrophobicContact CB-CD1 4.05Å; D177-Y225 VanDerWaalsContact OD1-CA 3.22Å; D177-Y225 WeakPolarHBondContact OD1-CA 3.31Å; D177-S226 PolarHBondContact OD1-N 3Å
178I96.9Very high92.9Very high0 Ų057.4 Ų57.40%031%0.314CS..EExtended strand (participates in β ladder)trans-123153.3177.767.1174.5000110.9W164 T165 V180 P223 V224 L227 V256 L258W164-I178 HydrophobicContact CB-CD1 4.25Å; W164-I178 HydrophobicContact CE3-CB 4.35Å; W164-I178 HydrophobicContact CE3-CG2 3.85Å; W164-I178 HydrophobicContact CZ3-CG2 4.18Å; T165-I178 CarbonylContact O-C 3.45Å; T165-I178 WeakPolarHBondContact O-CA 3.36Å; I178-V180 HydrophobicContact CD1-CG2 3.67Å; I178-V180 HydrophobicContact CG1-CG2 4.1Å; I178-P223 CarbonylContact O-C 3.57Å; I178-P223 VanDerWaalsContact O-CA 3.24Å; I178-P223 WeakPolarHBondContact O-CA 3.19Å; I178-V224 HydrophobicContact CD1-CB 4.39Å; I178-V224 HydrophobicContact CG1-CB 3.92Å; I178-V224 PolarHBondContact N-O 2.83Å; I178-V224 PolarHBondContact O-N 3.45Å; I178-L227 HydrophobicContact CD1-CD1 3.49Å; I178-L227 VanDerWaalsContact CD1-CD1 3.49Å; I178-L227 HydrophobicContact CG1-CD1 3.73Å; I178-L227 HydrophobicContact CG2-CD1 4.34Å; I178-V256 HydrophobicContact CD1-CG1 3.97Å; I178-V256 HydrophobicContact CD1-CG2 4.06Å; I178-L258 HydrophobicContact CG2-CD2 3.78Å
179Q97.4Very high92.9Very high38 Ų3854.6 Ų54.618%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-97.4118.3160.8-170.475.25.200107.7W164 T165 L167 R181 S221W164-Q179 CarbonylContact C-O 3.53Å; W164-Q179 VanDerWaalsContact CA-O 3.28Å; W164-Q179 WeakPolarHBondContact CA-O 3.33Å; T165-Q179 PolarHBondContact N-O 3.09Å; T165-Q179 PolarHBondContact O-N 2.85Å; L167-Q179 HydrophobicContact CD1-CB 3.99Å; L167-Q179 HydrophobicContact CD2-CB 4.03Å; L167-Q179 HydrophobicContact CG-CB 3.92Å; Q179-R181 HydrophobicContact CG-CG 3.98Å; Q179-S221 PolarHBondContact NE2-OG 2.98Å
180V97.9Very high92.7Very high0 Ų055.2 Ų55.20%030%0.3CS..EExtended strand (participates in β ladder)trans-87.7136.5166.9-174.60000108.1I178 W182 L201 S221 V222 V224 V235 L254I178-V180 HydrophobicContact CD1-CG2 3.67Å; I178-V180 HydrophobicContact CG1-CG2 4.1Å; V180-W182 HydrophobicContact CB-CZ3 4.27Å; V180-W182 HydrophobicContact CG1-CE3 4.04Å; V180-W182 HydrophobicContact CG1-CZ3 4.01Å; V180-L201 HydrophobicContact CB-CD1 3.82Å; V180-L201 HydrophobicContact CG1-CD1 3.78Å; V180-L201 HydrophobicContact CG2-CD1 4.07Å; V180-S221 CarbonylContact O-C 3.55Å; V180-S221 WeakPolarHBondContact O-CA 3.37Å; V180-S221 WeakPolarHBondContact O-CB 3.29Å; V180-V222 PolarHBondContact N-O 3.44Å; V180-V222 PolarHBondContact O-N 2.81Å; V180-V224 HydrophobicContact CG2-CG2 3.77Å; V180-V235 HydrophobicContact CG1-CG1 4.07Å; V180-V235 HydrophobicContact CG2-CG1 4.29Å; V180-L254 HydrophobicContact CG1-CD2 4.14Å
181R98Very high92.5Very high144 Ų14463 Ų6354%0.54333%0.332SS..EExtended strand (participates in β ladder)trans-131.6149.2-177.6-58.6-177.661.5179.2-4.7109.6L162 N163 Q179L162-R181 WeakPolarHBondContact CA-O 3.42Å; N163-R181 PolarHBondContact N-O 2.8Å; N163-R181 PolarHBondContact O-N 2.83Å; N163-R181 VanDerWaalsContact O-O 3.13Å; Q179-R181 HydrophobicContact CG-CG 3.98Å
182W97.6Very high92.7Very high7 Ų762.2 Ų62.23%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-149.4174.5174.553.693.4000110.3P159 L162 V180 Y199 L201 I217 S219 T220 V222 V237P159-W182 HydrophobicContact CB-CB 4.24Å; P159-W182 HydrophobicContact CB-CG 4.08Å; L162-W182 HydrophobicContact CD1-CB 3.95Å; L162-W182 HydrophobicContact CG-CB 4.18Å; V180-W182 HydrophobicContact CB-CZ3 4.27Å; V180-W182 HydrophobicContact CG1-CE3 4.04Å; V180-W182 HydrophobicContact CG1-CZ3 4.01Å; W182-Y199 AromaticContact CE2-CG 3.98Å; W182-Y199 HydrophobicContact CZ2-CD2 4.31Å; W182-Y199 HydrophobicContact CZ2-CG 4.03Å; W182-Y199 AromaticContact NE1-CD1 3.41Å; W182-Y199 AromaticContact NE1-CD2 3.66Å; W182-Y199 AromaticContact NE1-CE1 3.73Å; W182-Y199 AromaticContact NE1-CE2 3.97Å; W182-Y199 AromaticContact NE1-CG 3.36Å; W182-L201 HydrophobicContact CH2-CD1 4.44Å; W182-L201 HydrophobicContact CZ3-CD1 3.96Å; W182-I217 HydrophobicContact CH2-CD1 3.91Å; W182-I217 HydrophobicContact CZ2-CD1 3.96Å; W182-I217 HydrophobicContact CZ2-CG1 4.46Å; W182-S219 WeakPolarHBondContact CZ2-O 3.43Å; W182-T220 PolarHBondContact N-O 2.99Å; W182-T220 VanDerWaalsContact O-CB 3.23Å; W182-T220 WeakPolarHBondContact O-CB 3.45Å; W182-T220 PolarHBondContact O-OG1 2.97Å; W182-V222 HydrophobicContact CH2-CB 4.17Å; W182-V222 HydrophobicContact CH2-CG1 3.92Å; W182-V222 HydrophobicContact CZ3-CG1 4.07Å; W182-V237 HydrophobicContact CD2-CG1 4.24Å; W182-V237 HydrophobicContact CD2-CG2 4.19Å; W182-V237 HydrophobicContact CE3-CG2 3.87Å; W182-V237 HydrophobicContact CH2-CG1 4.4Å; W182-V237 HydrophobicContact CH2-CG2 4.44Å; W182-V237 HydrophobicContact CZ2-CG1 4.04Å; W182-V237 HydrophobicContact CZ3-CG2 4.01Å
183E96.4Very high92.8Very high117 Ų11759.7 Ų59.755%0.54732%0.316SS..EExtended strand (participates in β ladder)trans-111.8156.2169.6-68.6178.2-168.800110.3I160 A161I160-E183 HydrophobicContact CG1-CB 4.12Å; I160-E183 PolarHBondContact N-O 3.39Å; I160-E183 PolarHBondContact O-N 3.37Å; A161-E183 HydrophobicContact CB-CB 4.22Å; A161-E183 HydrophobicContact CB-CG 4.08Å
184A95.8Very high93Very high31 Ų3162.3 Ų62.326%0.25632%0.316SS..  trans-69.5156.4175.900000111I190 Y199A184-I190 HydrophobicContact CB-CD1 3.61Å; A184-Y199 WeakPolarHBondContact CB-OH 3.42Å
185P95.6Very high93.1Very high2 Ų258 Ų581%0.01329%0.294CS..  trans-57.8131.4171.9-19.932000110.3D157 N187 A188 L197D157-P185 HydrophobicContact CB-CB 4Å; D157-P185 HydrophobicContact CB-CG 4.47Å; D157-P185 WeakPolarHBondContact O-CG 3.2Å; P185-N187 WeakPolarHBondContact CB-OD1 3.14Å; P185-N187 PolarHBondContact O-N 2.84Å; P185-A188 HydrophobicContact CB-CB 4.25Å; P185-A188 WeakPolarHBondContact O-CB 3.42Å; P185-A188 PolarHBondContact O-N 3.16Å; P185-L197 HydrophobicContact CG-CD1 4.09Å
186P92.4Very high93.1Very high114 Ų11457.7 Ų57.774%0.7430%0.297SS*.THydrogen-bonded Turntrans-71-16.7-167.627.3-35.2000114I160I160-P186 HydrophobicContact CD1-CG 4.27Å
187N91.7Very high93.1Very high55 Ų5557.9 Ų57.929%0.29430%0.297SS..THydrogen-bonded Turntrans-82.1-19.3170.756.3-25.1000113.5E67 D157 P185 D189E67-N187 HydrophobicContact CB-CB 4.12Å; E67-N187 VanDerWaalsContact CB-O 3.22Å; E67-N187 WeakPolarHBondContact CB-O 3.48Å; E67-N187 HydrophobicContact CG-CB 4.36Å; E67-N187 PolarHBondContact OE2-ND2 2.89Å; D157-N187 PolarHBondContact OD2-ND2 2.84Å; P185-N187 WeakPolarHBondContact CB-OD1 3.14Å; P185-N187 PolarHBondContact O-N 2.84Å; N187-D189 PolarHBondContact O-N 3.27Å
188A90.3Very high93.1Very high10 Ų1057.9 Ų57.98%0.08330%0.296CS..SBendtrans-82.4103.3-178.800000111P185 I190 M195 L197P185-A188 HydrophobicContact CB-CB 4.25Å; P185-A188 WeakPolarHBondContact O-CB 3.42Å; P185-A188 PolarHBondContact O-N 3.16Å; A188-I190 VanDerWaalsContact C-N 3.29Å; A188-I190 HydrophobicContact CB-CG1 4.37Å; A188-I190 PolarHBondContact O-N 2.93Å; A188-M195 HydrophobicContact CB-CE 4.3Å; A188-M195 HydrophobicContact CB-SD 3.67Å; A188-L197 HydrophobicContact CB-CD1 4.3Å
189D90.6Very high93Very high34 Ų3458 Ų5818%0.18230%0.297CS..  trans-73.182.7176.1-171.10.2000112.2N187 Q191 K192 W194 M195N187-D189 PolarHBondContact O-N 3.27Å; D189-Q191 PolarHBondContact OD1-N 2.93Å; D189-K192 PolarHBondContact OD1-N 2.95Å; D189-K192 IonicContact OD1-NZ 3.23Å; D189-K192 WeakPolarHBondContact OD2-CB 3.44Å; D189-K192 VanDerWaalsContact OD2-CD 3.26Å; D189-K192 WeakPolarHBondContact OD2-CD 3.24Å; D189-K192 WeakPolarHBondContact OD2-CE 3.43Å; D189-K192 VanDerWaalsContact OD2-CG 3.29Å; D189-K192 WeakPolarHBondContact OD2-CG 3.47Å; D189-K192 IonicContact OD2-NZ 2.81Å; D189-K192 PolarHBondContact OD2-NZ 2.8Å; D189-W194 HydrophobicContact CB-CB 4.13Å; D189-W194 WeakPolarHBondContact O-CB 3.49Å; D189-W194 PolarHBondContact O-N 2.72Å; D189-W194 VanDerWaalsContact O-N 3.12Å; D189-M195 PolarHBondContact O-N 2.78Å
190I88.4Confident93Very high60 Ų6056.9 Ų56.931%0.30829%0.291SS..THydrogen-bonded Turntrans-81.5-29.1172.9-56.9175.5000110.6A184 A188 K192 G193 M195 L197A184-I190 HydrophobicContact CB-CD1 3.61Å; A188-I190 VanDerWaalsContact C-N 3.29Å; A188-I190 HydrophobicContact CB-CG1 4.37Å; A188-I190 PolarHBondContact O-N 2.93Å; I190-K192 PolarHBondContact O-N 2.83Å; I190-G193 PolarHBondContact O-N 3.34Å; I190-M195 WeakPolarHBondContact CA-O 3.19Å; I190-M195 HydrophobicContact CG1-CB 4.48Å; I190-L197 HydrophobicContact CD1-CB 4.23Å; I190-L197 HydrophobicContact CD1-CD1 3.81Å; I190-L197 HydrophobicContact CD1-CG 3.87Å; I190-L197 HydrophobicContact CG1-CG 4.46Å
191Q86.2Confident93Very high199 Ų19957 Ų5793%0.9329%0.292SS*.THydrogen-bonded Turntrans-67.5-38.4-174.4-66.3-172.75.100112.7D189 G193D189-Q191 PolarHBondContact OD1-N 2.93Å; Q191-G193 VanDerWaalsContact C-N 3.28Å
192K88.5Confident93Very high174 Ų17450.7 Ų50.776%0.75727%0.269SS*.THydrogen-bonded Turntrans-87.45.2172.6-52-172.8-153.769.70113D189 I190 W194D189-K192 PolarHBondContact OD1-N 2.95Å; D189-K192 IonicContact OD1-NZ 3.23Å; D189-K192 WeakPolarHBondContact OD2-CB 3.44Å; D189-K192 VanDerWaalsContact OD2-CD 3.26Å; D189-K192 WeakPolarHBondContact OD2-CD 3.24Å; D189-K192 WeakPolarHBondContact OD2-CE 3.43Å; D189-K192 VanDerWaalsContact OD2-CG 3.29Å; D189-K192 WeakPolarHBondContact OD2-CG 3.47Å; D189-K192 IonicContact OD2-NZ 2.81Å; D189-K192 PolarHBondContact OD2-NZ 2.8Å; I190-K192 PolarHBondContact O-N 2.83Å; K192-W194 VanDerWaalsContact C-N 3.26Å; K192-W194 PolarHBondContact O-N 2.85Å
193G86.9Confident93Very high50 Ų5052.5 Ų52.552%0.51528%0.276SS..THydrogen-bonded Turntrans70.614.5-179.700000115.1I190 Q191 M195I190-G193 PolarHBondContact O-N 3.34Å; Q191-G193 VanDerWaalsContact C-N 3.28Å; G193-M195 VanDerWaalsContact C-N 3.33Å
194W89.6Confident93Very high84 Ų8447.6 Ų47.632%0.31825%0.253SS..SBendtrans-62.1-44.9176176.1-114.1000110.5E67 R68 E69 V128 D189 K192E67-W194 PolarHBondContact O-NE1 3.18Å; E67-W194 VanDerWaalsContact O-NE1 3.09Å; R68-W194 VanDerWaalsContact CZ-O 3.27Å; R68-W194 PolarHBondContact NH1-O 3.21Å; R68-W194 VanDerWaalsContact NH2-CE2 3.29Å; R68-W194 VanDerWaalsContact NH2-CZ3 3.28Å; R68-W194 PolarHBondContact NH2-O 3.32Å; E69-W194 HydrophobicContact CG-CZ2 4.3Å; V128-W194 HydrophobicContact CG2-CH2 3.67Å; V128-W194 HydrophobicContact CG2-CZ2 3.71Å; D189-W194 HydrophobicContact CB-CB 4.13Å; D189-W194 WeakPolarHBondContact O-CB 3.49Å; D189-W194 PolarHBondContact O-N 2.72Å; D189-W194 VanDerWaalsContact O-N 3.12Å; K192-W194 VanDerWaalsContact C-N 3.26Å; K192-W194 PolarHBondContact O-N 2.85Å
195M90.7Very high93Very high2 Ų247 Ų471%0.0125%0.245CC..  trans-114.5147.7172.5-69.8-178.478.100112.3P66 E67 V154 P156 A188 D189 I190 G193 L197P66-M195 WeakPolarHBondContact O-CE 3.31Å; E67-M195 VanDerWaalsContact C-SD 3.54Å; E67-M195 WeakPolarHBondContact CA-SD 3.44Å; E67-M195 HydrophobicContact CB-SD 4.11Å; E67-M195 VanDerWaalsContact O-SD 3.35Å; V154-M195 HydrophobicContact CG1-CE 4.18Å; P156-M195 HydrophobicContact CB-CE 4.09Å; P156-M195 HydrophobicContact CG-CE 3.78Å; A188-M195 HydrophobicContact CB-CE 4.3Å; A188-M195 HydrophobicContact CB-SD 3.67Å; D189-M195 PolarHBondContact O-N 2.78Å; I190-M195 WeakPolarHBondContact CA-O 3.19Å; I190-M195 HydrophobicContact CG1-CB 4.48Å; G193-M195 VanDerWaalsContact C-N 3.33Å; M195-L197 HydrophobicContact CE-CD2 3.82Å
196V93.3Very high93Very high57 Ų5749.4 Ų49.435%0.34526%0.259SS..  trans-126.5116.7167.3-176.10000107.4R242V196-R242 HydrophobicContact CB-CB 4.29Å; V196-R242 HydrophobicContact CG1-CB 4.14Å; V196-R242 PolarHBondContact O-N 2.94Å
197L94.6Very high93Very high6 Ų650.3 Ų50.33%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-98.1148.7-179-64.2-172.5000111.7P156 P185 A188 I190 M195 Y199 L218 K240P156-L197 HydrophobicContact CB-CD2 3.94Å; P156-L197 HydrophobicContact CG-CD2 3.58Å; P185-L197 HydrophobicContact CG-CD1 4.09Å; A188-L197 HydrophobicContact CB-CD1 4.3Å; I190-L197 HydrophobicContact CD1-CB 4.23Å; I190-L197 HydrophobicContact CD1-CD1 3.81Å; I190-L197 HydrophobicContact CD1-CG 3.87Å; I190-L197 HydrophobicContact CG1-CG 4.46Å; M195-L197 HydrophobicContact CE-CD2 3.82Å; L197-Y199 HydrophobicContact CB-CE1 4.18Å; L197-Y199 HydrophobicContact CB-CE2 4.22Å; L197-Y199 HydrophobicContact CD1-CE1 4Å; L197-L218 WeakPolarHBondContact O-CD2 3.29Å; L197-K240 CarbonylContact C-O 3.55Å; L197-K240 VanDerWaalsContact CA-O 3.3Å; L197-K240 WeakPolarHBondContact CA-O 3.25Å; L197-K240 WeakPolarHBondContact CD2-O 3.29Å
198E95.6Very high93.1Very high32 Ų3250.8 Ų50.815%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-113.6141.6160.2-74.8158.9-153.600107.9P216 I217 L218 S239 K240 R242E198-P216 HydrophobicContact CB-CB 4.33Å; E198-I217 CarbonylContact C-O 3.5Å; E198-I217 WeakPolarHBondContact CA-O 2.78Å; E198-L218 HydrophobicContact CG-CD2 3.49Å; E198-L218 VanDerWaalsContact CG-CD2 3.49Å; E198-L218 HydrophobicContact CG-CG 4.46Å; E198-S239 CarbonylContact O-C 3.54Å; E198-K240 HydrophobicContact CB-CD 4.37Å; E198-K240 HydrophobicContact CB-CG 3.95Å; E198-K240 PolarHBondContact N-O 2.9Å; E198-K240 PolarHBondContact O-N 2.92Å; E198-K240 WeakPolarHBondContact OE2-CE 3.35Å; E198-K240 IonicContact OE2-NZ 3.19Å; E198-K240 PolarHBondContact OE2-NZ 2.84Å; E198-R242 WeakPolarHBondContact OE1-CA 3.47Å; E198-R242 WeakPolarHBondContact OE1-CB 3.18Å; E198-R242 VanDerWaalsContact OE1-CG 3.29Å; E198-R242 WeakPolarHBondContact OE1-CG 3.48Å; E198-R242 IonicContact OE1-NE 2.77Å
199Y96.6Very high93.3Very high3 Ų356.6 Ų56.61%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-115.8129.9-177.5-56.3-77.5000109.8P159 W182 A184 L197 P216 I217 S219 T220 V237 R238P159-Y199 HydrophobicContact CB-CE1 4.48Å; P159-Y199 HydrophobicContact CG-CD1 3.69Å; P159-Y199 HydrophobicContact CG-CE1 3.91Å; W182-Y199 AromaticContact CE2-CG 3.98Å; W182-Y199 HydrophobicContact CZ2-CD2 4.31Å; W182-Y199 HydrophobicContact CZ2-CG 4.03Å; W182-Y199 AromaticContact NE1-CD1 3.41Å; W182-Y199 AromaticContact NE1-CD2 3.66Å; W182-Y199 AromaticContact NE1-CE1 3.73Å; W182-Y199 AromaticContact NE1-CE2 3.97Å; W182-Y199 AromaticContact NE1-CG 3.36Å; A184-Y199 WeakPolarHBondContact CB-OH 3.42Å; L197-Y199 HydrophobicContact CB-CE1 4.18Å; L197-Y199 HydrophobicContact CB-CE2 4.22Å; L197-Y199 HydrophobicContact CD1-CE1 4Å; Y199-P216 CarbonylContact O-C 3.48Å; Y199-P216 WeakPolarHBondContact O-CA 3.19Å; Y199-I217 PolarHBondContact N-O 2.87Å; Y199-I217 PolarHBondContact O-N 2.91Å; Y199-S219 WeakPolarHBondContact CD2-O 3.29Å; Y199-T220 HydrophobicContact CE2-CG2 3.82Å; Y199-V237 HydrophobicContact CD1-CG1 4.49Å; Y199-R238 WeakPolarHBondContact CA-O 3.32Å
200E97.1Very high93.5Very high13 Ų1363.2 Ų63.26%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-109115.6172-176.2-164.1101.200108.6Q202 V237 R238 Y247E200-Q202 PolarHBondContact OE1-NE2 2.99Å; E200-V237 WeakPolarHBondContact O-CA 3.39Å; E200-R238 HydrophobicContact CB-CG 4.2Å; E200-R238 PolarHBondContact N-O 2.61Å; E200-R238 PolarHBondContact O-N 3.01Å; E200-R238 IonicContact OE1-CZ 3.11Å; E200-R238 IonicContact OE1-NE 2.76Å; E200-R238 PolarHBondContact OE1-NE 2.85Å; E200-R238 IonicContact OE1-NH2 3.18Å; E200-R238 PolarHBondContact OE1-NH2 3.32Å; E200-R238 IonicContact OE2-CZ 3.09Å; E200-R238 IonicContact OE2-NE 2.69Å; E200-R238 IonicContact OE2-NH2 2.68Å; E200-R238 PolarHBondContact OE2-NH2 2.78Å; E200-Y247 HydrophobicContact CB-CE1 3.7Å; E200-Y247 HydrophobicContact CG-CE1 4.44Å; E200-Y247 VanDerWaalsContact OE2-CE1 3.29Å; E200-Y247 WeakPolarHBondContact OE2-CE1 3.45Å; E200-Y247 PolarHBondContact OE2-OH 2.56Å
201L97.8Very high93.9Very high3 Ų363.1 Ų63.12%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-86.8136.1171.8-175.2147.8000109.7V180 W182 Y203 M214 V222 V224 V235 V237V180-L201 HydrophobicContact CB-CD1 3.82Å; V180-L201 HydrophobicContact CG1-CD1 3.78Å; V180-L201 HydrophobicContact CG2-CD1 4.07Å; W182-L201 HydrophobicContact CH2-CD1 4.44Å; W182-L201 HydrophobicContact CZ3-CD1 3.96Å; L201-Y203 HydrophobicContact CD2-CD1 3.89Å; L201-Y203 HydrophobicContact CD2-CG 4.48Å; L201-M214 HydrophobicContact CD2-CG 4.27Å; L201-M214 HydrophobicContact CD2-SD 3.85Å; L201-M214 PolarHBondContact O-N 2.77Å; L201-V222 HydrophobicContact CB-CG1 4.32Å; L201-V222 HydrophobicContact CD1-CG1 3.62Å; L201-V222 HydrophobicContact CG-CG1 4.46Å; L201-V224 HydrophobicContact CD1-CG2 4.32Å; L201-V224 HydrophobicContact CD2-CG2 4.09Å; L201-V235 HydrophobicContact CD1-CG1 3.72Å; L201-V235 HydrophobicContact CD2-CG1 4.17Å; L201-V235 HydrophobicContact CG-CG1 3.97Å; L201-V237 HydrophobicContact CB-CG2 4.17Å; L201-V237 HydrophobicContact CD1-CG2 3.94Å; L201-V237 HydrophobicContact CG-CG2 4.04Å
202Q97.5Very high94.4Very high11 Ų1157.4 Ų57.45%0.05129%0.288CS..EExtended strand (participates in β ladder)trans-122.8137.2168.2-57.3-167.3-6.800109.4E200 W211 K212 M213 R236 F250E200-Q202 PolarHBondContact OE1-NE2 2.99Å; Q202-W211 HydrophobicContact CB-CB 4.34Å; Q202-W211 HydrophobicContact CB-CD2 4.39Å; Q202-W211 HydrophobicContact CB-CE3 3.73Å; Q202-W211 HydrophobicContact CB-CZ3 4.48Å; Q202-K212 VanDerWaalsContact CA-O 3.32Å; Q202-K212 WeakPolarHBondContact CA-O 3.24Å; Q202-M213 HydrophobicContact CG-CB 4.45Å; Q202-M213 HydrophobicContact CG-CG 4Å; Q202-R236 HydrophobicContact CB-CG 4.1Å; Q202-R236 PolarHBondContact N-O 2.82Å; Q202-R236 PolarHBondContact O-N 2.94Å; Q202-R236 VanDerWaalsContact O-O 3.09Å; Q202-F250 HydrophobicContact CB-CE1 4.45Å; Q202-F250 VanDerWaalsContact CD-CZ 3.48Å; Q202-F250 HydrophobicContact CG-CE1 3.92Å; Q202-F250 HydrophobicContact CG-CZ 4.33Å
203Y97.3Very high94.8Very high45 Ų4555.4 Ų55.418%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-135.3158.6173.673.1-79.6000111.6L201 K212 M214 V224 L227 Y233 E234L201-Y203 HydrophobicContact CD2-CD1 3.89Å; L201-Y203 HydrophobicContact CD2-CG 4.48Å; Y203-K212 HydrophobicContact CD1-CB 4.1Å; Y203-K212 HydrophobicContact CD2-CD 4.31Å; Y203-K212 HydrophobicContact CE1-CB 3.78Å; Y203-K212 HydrophobicContact CE2-CB 4.24Å; Y203-K212 HydrophobicContact CE2-CD 3.68Å; Y203-K212 HydrophobicContact CG-CB 4.46Å; Y203-K212 PolarHBondContact N-O 3.09Å; Y203-K212 WeakPolarHBondContact O-CA 3.36Å; Y203-K212 WeakPolarHBondContact O-CB 3.42Å; Y203-K212 PolarHBondContact O-N 2.85Å; Y203-M214 HydrophobicContact CE1-CG 4.26Å; Y203-M214 HydrophobicContact CE1-SD 4.46Å; Y203-V224 HydrophobicContact CD1-CG1 4.04Å; Y203-V224 HydrophobicContact CD2-CG1 4.19Å; Y203-V224 HydrophobicContact CE1-CG1 3.92Å; Y203-V224 HydrophobicContact CE2-CG1 4.08Å; Y203-V224 HydrophobicContact CG-CG1 4.18Å; Y203-L227 HydrophobicContact CD2-CD2 3.92Å; Y203-L227 HydrophobicContact CE2-CD2 3.74Å; Y203-Y233 HydrophobicContact CD2-CD1 4.31Å; Y203-E234 CarbonylContact C-O 3.53Å; Y203-E234 WeakPolarHBondContact CA-O 3.02Å
204K97Very high95.2Very high14 Ų1455.6 Ų55.66%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-156.6162.8170.362.2170.7-16369.80110.1V206 E208 K210 W211 Y233 E234K204-V206 PolarHBondContact NZ-O 2.87Å; K204-E208 HydrophobicContact CB-CB 4.19Å; K204-E208 VanDerWaalsContact CD-O 3.25Å; K204-E208 WeakPolarHBondContact CD-O 3.45Å; K204-E208 VanDerWaalsContact CE-O 3.3Å; K204-E208 WeakPolarHBondContact CE-O 3.07Å; K204-E208 PolarHBondContact NZ-O 2.85Å; K204-K210 WeakPolarHBondContact CB-O 3.39Å; K204-W211 HydrophobicContact CB-CD2 4.5Å; K204-W211 HydrophobicContact CB-CE3 4.34Å; K204-W211 HydrophobicContact CD-CD2 3.91Å; K204-W211 HydrophobicContact CD-CE3 4.34Å; K204-W211 HydrophobicContact CD-CG 4.33Å; K204-W211 HydrophobicContact CD-CH2 4.33Å; K204-W211 HydrophobicContact CD-CZ2 3.89Å; K204-W211 HydrophobicContact CG-CD2 3.99Å; K204-W211 HydrophobicContact CG-CE3 3.9Å; K204-W211 HydrophobicContact CG-CH2 4.06Å; K204-W211 HydrophobicContact CG-CZ2 4.13Å; K204-W211 HydrophobicContact CG-CZ3 3.94Å; K204-Y233 CarbonylContact O-C 3.56Å; K204-Y233 VanDerWaalsContact O-CA 3.24Å; K204-Y233 WeakPolarHBondContact O-CA 3.41Å; K204-Y233 WeakPolarHBondContact O-CD1 2.98Å; K204-E234 WeakPolarHBondContact CE-OE2 3.5Å; K204-E234 HydrophobicContact CG-CB 4.22Å; K204-E234 PolarHBondContact N-O 2.65Å; K204-E234 IonicContact NZ-OE1 2.58Å; K204-E234 PolarHBondContact NZ-OE1 3.24Å; K204-E234 IonicContact NZ-OE2 3.75Å; K204-E234 PolarHBondContact NZ-OE2 3.02Å; K204-E234 VanDerWaalsContact NZ-OE2 3.09Å; K204-E234 PolarHBondContact O-N 2.85Å
205E96.3Very high95.5Very high19 Ų1958.4 Ų58.49%0.08929%0.292CS..EExtended strand (participates in β ladder)trans-63.5149162.3-167.1-178.4145.100109.4N207 E208 K231 E232 Y233E205-N207 HydrophobicContact CG-CB 4.32Å; E205-N207 PolarHBondContact O-N 2.94Å; E205-N207 WeakPolarHBondContact OE1-CB 3.29Å; E205-N207 PolarHBondContact OE1-ND2 2.97Å; E205-E208 HydrophobicContact CB-CB 4.11Å; E205-E208 HydrophobicContact CB-CG 3.82Å; E205-E208 PolarHBondContact N-OE2 3.11Å; E205-E208 PolarHBondContact O-N 2.82Å; E205-K231 HydrophobicContact CG-CB 4.26Å; E205-K231 HydrophobicContact CG-CG 4.28Å; E205-K231 IonicContact OE1-NZ 3.77Å; E205-K231 PolarHBondContact OE1-NZ 2.38Å; E205-K231 WeakPolarHBondContact OE2-CD 3.45Å; E205-K231 IonicContact OE2-NZ 2.65Å; E205-K231 PolarHBondContact OE2-NZ 2.88Å; E205-E232 WeakPolarHBondContact CA-O 3.46Å; E205-Y233 HydrophobicContact CB-CD1 4.38Å; E205-Y233 HydrophobicContact CB-CE1 4.19Å
206V95Very high95.7Very high52 Ų5260.8 Ų60.832%0.31531%0.308SS..THydrogen-bonded Turntrans-52.4-43.4172.9173.20000110.6K204 E208 E232 E234 Y255K204-V206 PolarHBondContact NZ-O 2.87Å; V206-E208 VanDerWaalsContact C-N 3.29Å; V206-E208 PolarHBondContact O-N 3Å; V206-E232 HydrophobicContact CG2-CB 3.77Å; V206-E232 PolarHBondContact N-O 2.69Å; V206-E234 HydrophobicContact CG2-CG 4.08Å; V206-Y255 HydrophobicContact CG2-CD1 4.45Å; V206-Y255 HydrophobicContact CG2-CE1 4.48Å
207N91.3Very high95.8Very high133 Ų13360 Ų6071%0.71130%0.302SS*.THydrogen-bonded Turntrans-72.5-12.1179.2-56.1-57.6000114.9E205E205-N207 HydrophobicContact CG-CB 4.32Å; E205-N207 PolarHBondContact O-N 2.94Å; E205-N207 WeakPolarHBondContact OE1-CB 3.29Å; E205-N207 PolarHBondContact OE1-ND2 2.97Å
208E94.2Very high95.8Very high65 Ų6564.3 Ų64.330%0.30432%0.324SS..  trans-85.4148177.5-79.3174.415000111.4K204 E205 V206 K212K204-E208 HydrophobicContact CB-CB 4.19Å; K204-E208 VanDerWaalsContact CD-O 3.25Å; K204-E208 WeakPolarHBondContact CD-O 3.45Å; K204-E208 VanDerWaalsContact CE-O 3.3Å; K204-E208 WeakPolarHBondContact CE-O 3.07Å; K204-E208 PolarHBondContact NZ-O 2.85Å; E205-E208 HydrophobicContact CB-CB 4.11Å; E205-E208 HydrophobicContact CB-CG 3.82Å; E205-E208 PolarHBondContact N-OE2 3.11Å; E205-E208 PolarHBondContact O-N 2.82Å; V206-E208 VanDerWaalsContact C-N 3.29Å; V206-E208 PolarHBondContact O-N 3Å; E208-K212 IonicContact OE1-NZ 2.73Å; E208-K212 PolarHBondContact OE1-NZ 2.74Å; E208-K212 IonicContact OE2-NZ 2.7Å; E208-K212 PolarHBondContact OE2-NZ 2.82Å
209T94.3Very high95.8Very high133 Ų13365.8 Ų65.882%0.81634%0.338SS*.SBendtrans-99.1-15.9173.654.20000113.4
210K96.1Very high95.7Very high172 Ų17268.5 Ų68.575%0.74836%0.355SS*.SBendtrans-102.9132-178.7-67.3-177.5179.6178.40110.3K204K204-K210 WeakPolarHBondContact CB-O 3.39Å
211W97.1Very high95.7Very high59 Ų5969.5 Ų69.522%0.22336%0.363CS..PPolyproline II helixtrans-83.5130.3175-68.984.3000110.8Q202 K204 E234 R236Q202-W211 HydrophobicContact CB-CB 4.34Å; Q202-W211 HydrophobicContact CB-CD2 4.39Å; Q202-W211 HydrophobicContact CB-CE3 3.73Å; Q202-W211 HydrophobicContact CB-CZ3 4.48Å; K204-W211 HydrophobicContact CB-CD2 4.5Å; K204-W211 HydrophobicContact CB-CE3 4.34Å; K204-W211 HydrophobicContact CD-CD2 3.91Å; K204-W211 HydrophobicContact CD-CE3 4.34Å; K204-W211 HydrophobicContact CD-CG 4.33Å; K204-W211 HydrophobicContact CD-CH2 4.33Å; K204-W211 HydrophobicContact CD-CZ2 3.89Å; K204-W211 HydrophobicContact CG-CD2 3.99Å; K204-W211 HydrophobicContact CG-CE3 3.9Å; K204-W211 HydrophobicContact CG-CH2 4.06Å; K204-W211 HydrophobicContact CG-CZ2 4.13Å; K204-W211 HydrophobicContact CG-CZ3 3.94Å; W211-E234 HydrophobicContact CH2-CB 3.75Å; W211-E234 HydrophobicContact CZ3-CB 4.21Å; W211-R236 HydrophobicContact CE3-CG 4.14Å; W211-R236 HydrophobicContact CH2-CG 3.94Å; W211-R236 HydrophobicContact CZ3-CG 3.64Å
212K96.3Very high95.7Very high78 Ų7870 Ų7034%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-82.4119.2166.9-66.3156.5-178146.90106.9Q202 Y203 E208Q202-K212 VanDerWaalsContact CA-O 3.32Å; Q202-K212 WeakPolarHBondContact CA-O 3.24Å; Y203-K212 HydrophobicContact CD1-CB 4.1Å; Y203-K212 HydrophobicContact CD2-CD 4.31Å; Y203-K212 HydrophobicContact CE1-CB 3.78Å; Y203-K212 HydrophobicContact CE2-CB 4.24Å; Y203-K212 HydrophobicContact CE2-CD 3.68Å; Y203-K212 HydrophobicContact CG-CB 4.46Å; Y203-K212 PolarHBondContact N-O 3.09Å; Y203-K212 WeakPolarHBondContact O-CA 3.36Å; Y203-K212 WeakPolarHBondContact O-CB 3.42Å; Y203-K212 PolarHBondContact O-N 2.85Å; E208-K212 IonicContact OE1-NZ 2.73Å; E208-K212 PolarHBondContact OE1-NZ 2.74Å; E208-K212 IonicContact OE2-NZ 2.7Å; E208-K212 PolarHBondContact OE2-NZ 2.82Å
213M96.3Very high95.7Very high133 Ų13370.8 Ų70.866%0.65537%0.373SS*.EExtended strand (participates in β ladder)trans-100135.3-177.3-55.3-178.3-6900108.8Q202Q202-M213 HydrophobicContact CG-CB 4.45Å; Q202-M213 HydrophobicContact CG-CG 4Å
214M96.1Very high95.7Very high53 Ų5368.7 Ų68.726%0.26137%0.365SS..PPolyproline II helixtrans-97155.3170.2-64-171.969.200110.5L201 Y203 V222 V224L201-M214 HydrophobicContact CD2-CG 4.27Å; L201-M214 HydrophobicContact CD2-SD 3.85Å; L201-M214 PolarHBondContact O-N 2.77Å; Y203-M214 HydrophobicContact CE1-CG 4.26Å; Y203-M214 HydrophobicContact CE1-SD 4.46Å; M214-V222 HydrophobicContact CE-CG2 3.73Å; M214-V222 HydrophobicContact SD-CG1 4.23Å; M214-V222 HydrophobicContact SD-CG2 4.46Å; M214-V224 HydrophobicContact SD-CG2 4.01Å
215D94.6Very high95.6Very high143 Ų14374.6 Ų74.677%0.76539%0.387SS*.PPolyproline II helixtrans-59.7144.4175.5-67.8-58.7000111.5I217D215-I217 PolarHBondContact O-N 2.81Å
216P95.3Very high95.5Very high52 Ų5277.7 Ų77.734%0.33841%0.411SS..PPolyproline II helixtrans-64.2129.5-179.4-23.434.6000112.9E198 Y199E198-P216 HydrophobicContact CB-CB 4.33Å; Y199-P216 CarbonylContact O-C 3.48Å; Y199-P216 WeakPolarHBondContact O-CA 3.19Å
217I95.8Very high95.5Very high41 Ų4175.3 Ų75.321%0.2140%0.397CS..BIsolated β-bridgetrans-117.2165.7-178.258.3151.4000112.9W182 E198 Y199 D215 S219 S221 V222W182-I217 HydrophobicContact CH2-CD1 3.91Å; W182-I217 HydrophobicContact CZ2-CD1 3.96Å; W182-I217 HydrophobicContact CZ2-CG1 4.46Å; E198-I217 CarbonylContact C-O 3.5Å; E198-I217 WeakPolarHBondContact CA-O 2.78Å; Y199-I217 PolarHBondContact N-O 2.87Å; Y199-I217 PolarHBondContact O-N 2.91Å; D215-I217 PolarHBondContact O-N 2.81Å; I217-S219 VanDerWaalsContact CD1-O 3.31Å; I217-S219 WeakPolarHBondContact CD1-O 3.3Å; I217-S219 WeakPolarHBondContact CD1-OG 3.32Å; I217-S221 WeakPolarHBondContact CD1-O 3.45Å; I217-V222 HydrophobicContact CD1-CB 3.7Å; I217-V222 HydrophobicContact CD1-CG2 4.06Å
218L94.1Very high95.6Very high96 Ų9673.1 Ų73.150%0.50338%0.381SS..SBendtrans-102.4-20.1-178.1-64.4167.9000113.8L197 E198L197-L218 WeakPolarHBondContact O-CD2 3.29Å; E198-L218 HydrophobicContact CG-CD2 3.49Å; E198-L218 VanDerWaalsContact CG-CD2 3.49Å; E198-L218 HydrophobicContact CG-CG 4.46Å
219S94.9Very high95.5Very high64 Ų6471 Ų7145%0.44837%0.372SS..SBendtrans-79.1153.817545.80000111.5W182 Y199 I217 S221W182-S219 WeakPolarHBondContact CZ2-O 3.43Å; Y199-S219 WeakPolarHBondContact CD2-O 3.29Å; I217-S219 VanDerWaalsContact CD1-O 3.31Å; I217-S219 WeakPolarHBondContact CD1-O 3.3Å; I217-S219 WeakPolarHBondContact CD1-OG 3.32Å; S219-S221 PolarHBondContact O-N 3Å; S219-S221 PolarHBondContact OG-O 3.35Å
220T96.2Very high95.3Very high60 Ų6069.9 Ų69.937%0.36836%0.361SS..SBendtrans-86.627.317366.30000113W182 Y199W182-T220 PolarHBondContact N-O 2.99Å; W182-T220 VanDerWaalsContact O-CB 3.23Å; W182-T220 WeakPolarHBondContact O-CB 3.45Å; W182-T220 PolarHBondContact O-OG1 2.97Å; Y199-T220 HydrophobicContact CE2-CG2 3.82Å
221S96.6Very high95.1Very high33 Ų3364.2 Ų64.223%0.23134%0.337CS..EExtended strand (participates in β ladder)trans-158.5152.5171.269.50000111.2Q179 V180 I217 S219Q179-S221 PolarHBondContact NE2-OG 2.98Å; V180-S221 CarbonylContact O-C 3.55Å; V180-S221 WeakPolarHBondContact O-CA 3.37Å; V180-S221 WeakPolarHBondContact O-CB 3.29Å; I217-S221 WeakPolarHBondContact CD1-O 3.45Å; S219-S221 PolarHBondContact O-N 3Å; S219-S221 PolarHBondContact OG-O 3.35Å
222V97.4Very high95.1Very high14 Ų1465.9 Ų65.99%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-148.3142.7177.575.50000110.4V180 W182 L201 M214 I217 V224V180-V222 PolarHBondContact N-O 3.44Å; V180-V222 PolarHBondContact O-N 2.81Å; W182-V222 HydrophobicContact CH2-CB 4.17Å; W182-V222 HydrophobicContact CH2-CG1 3.92Å; W182-V222 HydrophobicContact CZ3-CG1 4.07Å; L201-V222 HydrophobicContact CB-CG1 4.32Å; L201-V222 HydrophobicContact CD1-CG1 3.62Å; L201-V222 HydrophobicContact CG-CG1 4.46Å; M214-V222 HydrophobicContact CE-CG2 3.73Å; M214-V222 HydrophobicContact SD-CG1 4.23Å; M214-V222 HydrophobicContact SD-CG2 4.46Å; I217-V222 HydrophobicContact CD1-CB 3.7Å; I217-V222 HydrophobicContact CD1-CG2 4.06Å; V222-V224 HydrophobicContact CG1-CG2 4.39Å
223P97.1Very high95.1Very high28 Ų2862.7 Ų62.718%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-74.4138.6167.529.4-33.6000111L167 I178 Y225L167-P223 HydrophobicContact CD1-CB 3.86Å; I178-P223 CarbonylContact O-C 3.57Å; I178-P223 VanDerWaalsContact O-CA 3.24Å; I178-P223 WeakPolarHBondContact O-CA 3.19Å; P223-Y225 HydrophobicContact CB-CD2 4.49Å; P223-Y225 HydrophobicContact CB-CE1 4.01Å; P223-Y225 HydrophobicContact CB-CE2 3.82Å; P223-Y225 HydrophobicContact CG-CE1 4.47Å; P223-Y225 HydrophobicContact CG-CE2 3.65Å; P223-Y225 VanDerWaalsContact CG-OH 3.23Å; P223-Y225 WeakPolarHBondContact CG-OH 3.15Å
224V97.3Very high95.1Very high1 Ų157.7 Ų57.71%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-115.9115.9169-174.30000107.5I178 V180 L201 Y203 M214 V222 L227I178-V224 HydrophobicContact CD1-CB 4.39Å; I178-V224 HydrophobicContact CG1-CB 3.92Å; I178-V224 PolarHBondContact N-O 2.83Å; I178-V224 PolarHBondContact O-N 3.45Å; V180-V224 HydrophobicContact CG2-CG2 3.77Å; L201-V224 HydrophobicContact CD1-CG2 4.32Å; L201-V224 HydrophobicContact CD2-CG2 4.09Å; Y203-V224 HydrophobicContact CD1-CG1 4.04Å; Y203-V224 HydrophobicContact CD2-CG1 4.19Å; Y203-V224 HydrophobicContact CE1-CG1 3.92Å; Y203-V224 HydrophobicContact CE2-CG1 4.08Å; Y203-V224 HydrophobicContact CG-CG1 4.18Å; M214-V224 HydrophobicContact SD-CG2 4.01Å; V222-V224 HydrophobicContact CG1-CG2 4.39Å; V224-L227 HydrophobicContact CB-CD1 4.42Å; V224-L227 HydrophobicContact CG1-CD1 4.09Å; V224-L227 HydrophobicContact CG1-CD2 3.85Å; V224-L227 HydrophobicContact CG1-CG 4.03Å
225Y95.6Very high95.2Very high137 Ų13755.2 Ų55.254%0.53730%0.296SS..EExtended strand (participates in β ladder)trans-98157.2-169.1-60.2-78.8000113.1D177 P223 L227D177-Y225 HydrophobicContact CB-CD1 4.05Å; D177-Y225 VanDerWaalsContact OD1-CA 3.22Å; D177-Y225 WeakPolarHBondContact OD1-CA 3.31Å; P223-Y225 HydrophobicContact CB-CD2 4.49Å; P223-Y225 HydrophobicContact CB-CE1 4.01Å; P223-Y225 HydrophobicContact CB-CE2 3.82Å; P223-Y225 HydrophobicContact CG-CE1 4.47Å; P223-Y225 HydrophobicContact CG-CE2 3.65Å; P223-Y225 VanDerWaalsContact CG-OH 3.23Å; P223-Y225 WeakPolarHBondContact CG-OH 3.15Å; Y225-L227 PolarHBondContact O-N 2.97Å
226S94.1Very high95.4Very high84 Ų8450.9 Ų50.959%0.58727%0.269SS*.EExtended strand (participates in β ladder)trans54.833.8171.3-54.20000114.9A176 D177A176-S226 PolarHBondContact O-N 2.69Å; D177-S226 PolarHBondContact OD1-N 3Å
227L95.4Very high95.5Very high3 Ų348.4 Ų48.42%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-69.2143.8167.8-62.5179.1000108.9H175 A176 I178 Y203 V224 Y225 Y233 L258H175-L227 CarbonylContact C-O 3.52Å; H175-L227 WeakPolarHBondContact CA-O 3.29Å; A176-L227 PolarHBondContact N-O 3.18Å; A176-L227 PolarHBondContact O-N 3.09Å; I178-L227 HydrophobicContact CD1-CD1 3.49Å; I178-L227 VanDerWaalsContact CD1-CD1 3.49Å; I178-L227 HydrophobicContact CG1-CD1 3.73Å; I178-L227 HydrophobicContact CG2-CD1 4.34Å; Y203-L227 HydrophobicContact CD2-CD2 3.92Å; Y203-L227 HydrophobicContact CE2-CD2 3.74Å; V224-L227 HydrophobicContact CB-CD1 4.42Å; V224-L227 HydrophobicContact CG1-CD1 4.09Å; V224-L227 HydrophobicContact CG1-CD2 3.85Å; V224-L227 HydrophobicContact CG1-CG 4.03Å; Y225-L227 PolarHBondContact O-N 2.97Å; L227-Y233 HydrophobicContact CB-CD2 4.36Å; L227-Y233 HydrophobicContact CB-CE2 3.95Å; L227-Y233 HydrophobicContact CD2-CD1 3.82Å; L227-Y233 HydrophobicContact CD2-CD2 4.22Å; L227-Y233 HydrophobicContact CD2-CE1 3.77Å; L227-Y233 HydrophobicContact CD2-CE2 4.16Å; L227-Y233 HydrophobicContact CD2-CG 4.06Å; L227-L258 HydrophobicContact CB-CD1 3.95Å
228K93.2Very high95.5Very high86 Ų8648.9 Ų48.937%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-88.7136.9-179.2-62.1-174.7162.5-164.80111.6I174 D230 K231 Y233 L258I174-K228 WeakPolarHBondContact O-CA 3.33Å; K228-D230 VanDerWaalsContact C-N 3.26Å; K228-D230 WeakPolarHBondContact CB-OD1 3.39Å; K228-D230 PolarHBondContact O-N 3.32Å; K228-K231 HydrophobicContact CB-CB 4.45Å; K228-K231 HydrophobicContact CB-CD 4.03Å; K228-K231 HydrophobicContact CD-CD 3.82Å; K228-K231 HydrophobicContact CG-CD 4.47Å; K228-K231 PolarHBondContact O-N 3.4Å; K228-Y233 PolarHBondContact N-OH 3.26Å; K228-L258 WeakPolarHBondContact O-CD1 3.37Å
229V92.2Very high95.6Very high20 Ų2044.3 Ų44.312%0.12123%0.228CC..THydrogen-bonded Turntrans-73.3-18.3-176.2-178.40000112.4G173 I174 A176 K231 L258G173-V229 WeakPolarHBondContact O-CG2 3.46Å; I174-V229 PolarHBondContact O-N 3.19Å; A176-V229 HydrophobicContact CB-CG2 3.93Å; V229-K231 VanDerWaalsContact C-N 3.26Å; V229-K231 PolarHBondContact O-N 2.65Å; V229-L258 HydrophobicContact CG1-CB 4.42Å; V229-L258 HydrophobicContact CG2-CD1 4.23Å
230D89.4Confident95.6Very high111 Ų11142.5 Ų42.559%0.59421%0.212SC*.THydrogen-bonded Turntrans-80.31.8175.872.3-40.9000114.3K228K228-D230 VanDerWaalsContact C-N 3.26Å; K228-D230 WeakPolarHBondContact CB-OD1 3.39Å; K228-D230 PolarHBondContact O-N 3.32Å
231K93.1Very high95.4Very high53 Ų5341.1 Ų41.123%0.2320%0.2CC..SBendtrans-137.2145.9-165-80.2155.6179.4-730113.6E205 K228 V229 Y233E205-K231 HydrophobicContact CG-CB 4.26Å; E205-K231 HydrophobicContact CG-CG 4.28Å; E205-K231 IonicContact OE1-NZ 3.77Å; E205-K231 PolarHBondContact OE1-NZ 2.38Å; E205-K231 WeakPolarHBondContact OE2-CD 3.45Å; E205-K231 IonicContact OE2-NZ 2.65Å; E205-K231 PolarHBondContact OE2-NZ 2.88Å; K228-K231 HydrophobicContact CB-CB 4.45Å; K228-K231 HydrophobicContact CB-CD 4.03Å; K228-K231 HydrophobicContact CD-CD 3.82Å; K228-K231 HydrophobicContact CG-CD 4.47Å; K228-K231 PolarHBondContact O-N 3.4Å; V229-K231 VanDerWaalsContact C-N 3.26Å; V229-K231 PolarHBondContact O-N 2.65Å; K231-Y233 HydrophobicContact CB-CE2 3.82Å; K231-Y233 WeakPolarHBondContact O-CD2 3.34Å; K231-Y233 WeakPolarHBondContact O-CE2 3.22Å
232E95.5Very high95.1Very high93 Ų9344.4 Ų44.444%0.43521%0.207SC..EExtended strand (participates in β ladder)trans-94.2140.1172.6-58.2-165.8132.200110.9E205 V206 T257E205-E232 WeakPolarHBondContact CA-O 3.46Å; V206-E232 HydrophobicContact CG2-CB 3.77Å; V206-E232 PolarHBondContact N-O 2.69Å; E232-T257 HydrophobicContact CG-CG2 4.12Å; E232-T257 VanDerWaalsContact OE1-CG2 3.31Å; E232-T257 WeakPolarHBondContact OE1-CG2 3.44Å; E232-T257 PolarHBondContact OE1-OG1 3.09Å
233Y97Very high94.5Very high11 Ų1151.2 Ų51.24%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-121.3139.7-178-66-92.5000111.8Y203 K204 E205 L227 K228 K231 V256Y203-Y233 HydrophobicContact CD2-CD1 4.31Å; K204-Y233 CarbonylContact O-C 3.56Å; K204-Y233 VanDerWaalsContact O-CA 3.24Å; K204-Y233 WeakPolarHBondContact O-CA 3.41Å; K204-Y233 WeakPolarHBondContact O-CD1 2.98Å; E205-Y233 HydrophobicContact CB-CD1 4.38Å; E205-Y233 HydrophobicContact CB-CE1 4.19Å; L227-Y233 HydrophobicContact CB-CD2 4.36Å; L227-Y233 HydrophobicContact CB-CE2 3.95Å; L227-Y233 HydrophobicContact CD2-CD1 3.82Å; L227-Y233 HydrophobicContact CD2-CD2 4.22Å; L227-Y233 HydrophobicContact CD2-CE1 3.77Å; L227-Y233 HydrophobicContact CD2-CE2 4.16Å; L227-Y233 HydrophobicContact CD2-CG 4.06Å; K228-Y233 PolarHBondContact N-OH 3.26Å; K231-Y233 HydrophobicContact CB-CE2 3.82Å; K231-Y233 WeakPolarHBondContact O-CD2 3.34Å; K231-Y233 WeakPolarHBondContact O-CE2 3.22Å; Y233-V256 PolarHBondContact N-O 2.1Å; Y233-V256 PolarHBondContact O-N 3.18Å
234E97.2Very high93.9Very high29 Ų2950.9 Ų50.914%0.13624%0.242CC..EExtended strand (participates in β ladder)trans-94.2130.4166.6-71169.6-141.600108.8Y203 K204 V206 W211 V253 Y255Y203-E234 CarbonylContact C-O 3.53Å; Y203-E234 WeakPolarHBondContact CA-O 3.02Å; K204-E234 WeakPolarHBondContact CE-OE2 3.5Å; K204-E234 HydrophobicContact CG-CB 4.22Å; K204-E234 PolarHBondContact N-O 2.65Å; K204-E234 IonicContact NZ-OE1 2.58Å; K204-E234 PolarHBondContact NZ-OE1 3.24Å; K204-E234 IonicContact NZ-OE2 3.75Å; K204-E234 PolarHBondContact NZ-OE2 3.02Å; K204-E234 VanDerWaalsContact NZ-OE2 3.09Å; K204-E234 PolarHBondContact O-N 2.85Å; V206-E234 HydrophobicContact CG2-CG 4.08Å; W211-E234 HydrophobicContact CH2-CB 3.75Å; W211-E234 HydrophobicContact CZ3-CB 4.21Å; E234-V253 HydrophobicContact CB-CG1 3.68Å; E234-V253 HydrophobicContact CG-CG1 3.82Å; E234-Y255 HydrophobicContact CG-CD1 4.13Å; E234-Y255 HydrophobicContact CG-CE1 3.7Å
235V97.9Very high93.1Very high1 Ų154 Ų541%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-125135.5177-179.20000109.2V180 L201 L254 V256V180-V235 HydrophobicContact CG1-CG1 4.07Å; V180-V235 HydrophobicContact CG2-CG1 4.29Å; L201-V235 HydrophobicContact CD1-CG1 3.72Å; L201-V235 HydrophobicContact CD2-CG1 4.17Å; L201-V235 HydrophobicContact CG-CG1 3.97Å; V235-L254 HydrophobicContact CB-CB 4.25Å; V235-L254 PolarHBondContact N-O 2.82Å; V235-L254 PolarHBondContact O-N 2.83Å; V235-V256 HydrophobicContact CG2-CG2 3.79Å
236R97.8Very high92.8Very high52 Ų5250.4 Ų50.420%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-142.6146.9174.465-175.3-172.5-174.71.5110.3Q202 W211 F250Q202-R236 HydrophobicContact CB-CG 4.1Å; Q202-R236 PolarHBondContact N-O 2.82Å; Q202-R236 PolarHBondContact O-N 2.94Å; Q202-R236 VanDerWaalsContact O-O 3.09Å; W211-R236 HydrophobicContact CE3-CG 4.14Å; W211-R236 HydrophobicContact CH2-CG 3.94Å; W211-R236 HydrophobicContact CZ3-CG 3.64Å; R236-F250 HydrophobicContact CB-CB 4.44Å; R236-F250 HydrophobicContact CB-CD1 4.12Å; R236-F250 HydrophobicContact CG-CD1 3.54Å; R236-F250 HydrophobicContact CG-CE1 3.93Å; R236-F250 HydrophobicContact CG-CG 4.16Å
237V98Very high92.8Very high0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-124.1141.2179.6-1700000108.8P159 L162 W182 Y199 E200 L201 S251P159-V237 HydrophobicContact CG-CB 4.23Å; P159-V237 HydrophobicContact CG-CG1 3.97Å; L162-V237 HydrophobicContact CD2-CG2 4.05Å; W182-V237 HydrophobicContact CD2-CG1 4.24Å; W182-V237 HydrophobicContact CD2-CG2 4.19Å; W182-V237 HydrophobicContact CE3-CG2 3.87Å; W182-V237 HydrophobicContact CH2-CG1 4.4Å; W182-V237 HydrophobicContact CH2-CG2 4.44Å; W182-V237 HydrophobicContact CZ2-CG1 4.04Å; W182-V237 HydrophobicContact CZ3-CG2 4.01Å; Y199-V237 HydrophobicContact CD1-CG1 4.49Å; E200-V237 WeakPolarHBondContact O-CA 3.39Å; L201-V237 HydrophobicContact CB-CG2 4.17Å; L201-V237 HydrophobicContact CD1-CG2 3.94Å; L201-V237 HydrophobicContact CG-CG2 4.04Å; V237-S251 PolarHBondContact N-OG 3.19Å; V237-S251 WeakPolarHBondContact O-CB 3.48Å; V237-S251 PolarHBondContact O-N 3.19Å; V237-S251 PolarHBondContact O-OG 2.96Å
238R96.7Very high92.8Very high50 Ų5048.9 Ų48.919%0.18925%0.247CC..EExtended strand (participates in β ladder)trans-124.6146.4170.457.1177.1179.6155.59.3110.9Y199 E200 Y247 F250Y199-R238 WeakPolarHBondContact CA-O 3.32Å; E200-R238 HydrophobicContact CB-CG 4.2Å; E200-R238 PolarHBondContact N-O 2.61Å; E200-R238 PolarHBondContact O-N 3.01Å; E200-R238 IonicContact OE1-CZ 3.11Å; E200-R238 IonicContact OE1-NE 2.76Å; E200-R238 PolarHBondContact OE1-NE 2.85Å; E200-R238 IonicContact OE1-NH2 3.18Å; E200-R238 PolarHBondContact OE1-NH2 3.32Å; E200-R238 IonicContact OE2-CZ 3.09Å; E200-R238 IonicContact OE2-NE 2.69Å; E200-R238 IonicContact OE2-NH2 2.68Å; E200-R238 PolarHBondContact OE2-NH2 2.78Å; R238-Y247 HydrophobicContact CG-CD1 3.81Å; R238-Y247 HydrophobicContact CG-CE1 4.33Å; R238-F250 HydrophobicContact CB-CD1 3.71Å; R238-F250 HydrophobicContact CB-CE1 3.98Å; R238-F250 HydrophobicContact CB-CG 4.24Å; R238-F250 VanDerWaalsContact CD-CE1 3.4Å; R238-F250 VanDerWaalsContact CD-CZ 3.44Å; R238-F250 HydrophobicContact CG-CD1 3.83Å; R238-F250 HydrophobicContact CG-CE1 3.54Å; R238-F250 HydrophobicContact CG-CZ 4.13Å
239S95.4Very high92.9Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-88.9156175.557.20000110.9D157 E198 Y247 G248D157-S239 PolarHBondContact O-OG 2.79Å; E198-S239 CarbonylContact O-C 3.54Å; S239-Y247 WeakPolarHBondContact O-CA 3.28Å; S239-G248 PolarHBondContact O-N 2.93Å
240K94.4Very high93.2Very high27 Ų2751.5 Ų51.512%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-144.1161.3155.752.8161165.4152.20108.1L197 E198 N246 Y247L197-K240 CarbonylContact C-O 3.55Å; L197-K240 VanDerWaalsContact CA-O 3.3Å; L197-K240 WeakPolarHBondContact CA-O 3.25Å; L197-K240 WeakPolarHBondContact CD2-O 3.29Å; E198-K240 HydrophobicContact CB-CD 4.37Å; E198-K240 HydrophobicContact CB-CG 3.95Å; E198-K240 PolarHBondContact N-O 2.9Å; E198-K240 PolarHBondContact O-N 2.92Å; E198-K240 WeakPolarHBondContact OE2-CE 3.35Å; E198-K240 IonicContact OE2-NZ 3.19Å; E198-K240 PolarHBondContact OE2-NZ 2.84Å; K240-N246 VanDerWaalsContact CB-O 3.31Å; K240-N246 WeakPolarHBondContact CB-O 3.34Å; K240-Y247 HydrophobicContact CB-CD1 3.84Å; K240-Y247 HydrophobicContact CB-CE1 4.19Å; K240-Y247 HydrophobicContact CB-CG 4.13Å; K240-Y247 HydrophobicContact CD-CD1 4.25Å; K240-Y247 HydrophobicContact CD-CD2 4.48Å; K240-Y247 HydrophobicContact CD-CE1 3.77Å; K240-Y247 HydrophobicContact CD-CE2 4Å; K240-Y247 WeakPolarHBondContact CE-OH 3.05Å; K240-Y247 HydrophobicContact CG-CD1 3.92Å; K240-Y247 HydrophobicContact CG-CE1 3.73Å
241R92.3Very high93.5Very high31 Ų3146.7 Ų46.712%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-76.8139.5168.6178-175.3161.4-178.91.9109.8R68 D151 V154 N243 S244R68-R241 VanDerWaalsContact CD-NH1 3.3Å; D151-R241 VanDerWaalsContact CG-NH2 3.27Å; D151-R241 PolarHBondContact O-NH1 3.11Å; D151-R241 IonicContact OD1-CZ 2.64Å; D151-R241 IonicContact OD1-NH1 2.88Å; D151-R241 PolarHBondContact OD1-NH1 3.34Å; D151-R241 IonicContact OD1-NH2 3.83Å; D151-R241 PolarHBondContact OD1-NH2 3.32Å; D151-R241 IonicContact OD2-CZ 2.61Å; D151-R241 IonicContact OD2-NH1 2.69Å; D151-R241 PolarHBondContact OD2-NH1 2.88Å; D151-R241 VanDerWaalsContact OD2-NH1 3.11Å; D151-R241 IonicContact OD2-NH2 3.72Å; D151-R241 PolarHBondContact OD2-NH2 2.79Å; V154-R241 HydrophobicContact CG1-CB 4.1Å; R241-N243 PolarHBondContact O-N 2.95Å; R241-S244 WeakPolarHBondContact O-CB 3.43Å; R241-S244 PolarHBondContact O-N 2.67Å
242R89.6Confident93.7Very high101 Ų10152.7 Ų52.738%0.38126%0.262SS..THydrogen-bonded Turntrans-50.3136.9170.3172.8178.4-64.2172.45.1110.9V196 E198 S244V196-R242 HydrophobicContact CB-CB 4.29Å; V196-R242 HydrophobicContact CG1-CB 4.14Å; V196-R242 PolarHBondContact O-N 2.94Å; E198-R242 WeakPolarHBondContact OE1-CA 3.47Å; E198-R242 WeakPolarHBondContact OE1-CB 3.18Å; E198-R242 VanDerWaalsContact OE1-CG 3.29Å; E198-R242 WeakPolarHBondContact OE1-CG 3.48Å; E198-R242 IonicContact OE1-NE 2.77Å; R242-S244 PolarHBondContact O-N 3.14Å
243N84.6Confident93.8Very high157 Ų15750.9 Ų50.984%0.8426%0.257SS*.THydrogen-bonded Turntrans62.57.5-175.4-55.2-10.5000115.7R241R241-N243 PolarHBondContact O-N 2.95Å
244S84.5Confident93.8Very high22 Ų2251.6 Ų51.615%0.15426%0.262CS..  trans-99.7144.1169.5-175.60000111.1R241 R242 N246R241-S244 WeakPolarHBondContact O-CB 3.43Å; R241-S244 PolarHBondContact O-N 2.67Å; R242-S244 PolarHBondContact O-N 3.14Å; S244-N246 VanDerWaalsContact C-N 3.3Å; S244-N246 PolarHBondContact OG-N 2.86Å; S244-N246 VanDerWaalsContact OG-N 3.13Å
245G81.8Confident93.7Very high66 Ų6656.8 Ų56.868%0.6828%0.281SS*.  trans-80-11.1168.900000113.8Y247G245-Y247 PolarHBondContact O-N 3.21Å
246N89.8Confident93.7Very high62 Ų6256.8 Ų56.833%0.33228%0.281SS..  trans-85.5109.7-173.6-59.4-22.6000111.2E152 V154 Q155 K240 S244E152-N246 PolarHBondContact O-ND2 3.42Å; V154-N246 VanDerWaalsContact O-CB 3.25Å; V154-N246 WeakPolarHBondContact O-CB 3.46Å; V154-N246 PolarHBondContact O-ND2 3.05Å; Q155-N246 HydrophobicContact CB-CB 4.43Å; K240-N246 VanDerWaalsContact CB-O 3.31Å; K240-N246 WeakPolarHBondContact CB-O 3.34Å; S244-N246 VanDerWaalsContact C-N 3.3Å; S244-N246 PolarHBondContact OG-N 2.86Å; S244-N246 VanDerWaalsContact OG-N 3.13Å
247Y94.3Very high93.5Very high50 Ų5057.7 Ų57.720%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-83.5136.6168.5-76.9-90.3000112Q155 E200 R238 S239 K240 G245Q155-Y247 VanDerWaalsContact CG-O 3.29Å; Q155-Y247 WeakPolarHBondContact CG-O 3.38Å; Q155-Y247 PolarHBondContact NE2-O 2.8Å; E200-Y247 HydrophobicContact CB-CE1 3.7Å; E200-Y247 HydrophobicContact CG-CE1 4.44Å; E200-Y247 VanDerWaalsContact OE2-CE1 3.29Å; E200-Y247 WeakPolarHBondContact OE2-CE1 3.45Å; E200-Y247 PolarHBondContact OE2-OH 2.56Å; R238-Y247 HydrophobicContact CG-CD1 3.81Å; R238-Y247 HydrophobicContact CG-CE1 4.33Å; S239-Y247 WeakPolarHBondContact O-CA 3.28Å; K240-Y247 HydrophobicContact CB-CD1 3.84Å; K240-Y247 HydrophobicContact CB-CE1 4.19Å; K240-Y247 HydrophobicContact CB-CG 4.13Å; K240-Y247 HydrophobicContact CD-CD1 4.25Å; K240-Y247 HydrophobicContact CD-CD2 4.48Å; K240-Y247 HydrophobicContact CD-CE1 3.77Å; K240-Y247 HydrophobicContact CD-CE2 4Å; K240-Y247 WeakPolarHBondContact CE-OH 3.05Å; K240-Y247 HydrophobicContact CG-CD1 3.92Å; K240-Y247 HydrophobicContact CG-CE1 3.73Å; G245-Y247 PolarHBondContact O-N 3.21Å
248G94.1Very high93.2Very high5 Ų558 Ų585%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-58175.3162.500000112.9P156 S239P156-G248 WeakPolarHBondContact O-CA 3.41Å; S239-G248 PolarHBondContact O-N 2.93Å
249E95.9Very high92.5Very high98 Ų9859.4 Ų59.446%0.45831%0.31SS..EExtended strand (participates in β ladder)trans-71.2163.3169.5-76.8153.8-138.600110.2K62K62-E249 IonicContact NZ-OE1 2.97Å; K62-E249 PolarHBondContact NZ-OE1 2.81Å
250F97.2Very high91.2Very high63 Ų6366.5 Ų66.528%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-76149.8177-73.4-79.5000110.6Q202 R236 R238Q202-F250 HydrophobicContact CB-CE1 4.45Å; Q202-F250 VanDerWaalsContact CD-CZ 3.48Å; Q202-F250 HydrophobicContact CG-CE1 3.92Å; Q202-F250 HydrophobicContact CG-CZ 4.33Å; R236-F250 HydrophobicContact CB-CB 4.44Å; R236-F250 HydrophobicContact CB-CD1 4.12Å; R236-F250 HydrophobicContact CG-CD1 3.54Å; R236-F250 HydrophobicContact CG-CE1 3.93Å; R236-F250 HydrophobicContact CG-CG 4.16Å; R238-F250 HydrophobicContact CB-CD1 3.71Å; R238-F250 HydrophobicContact CB-CE1 3.98Å; R238-F250 HydrophobicContact CB-CG 4.24Å; R238-F250 VanDerWaalsContact CD-CE1 3.4Å; R238-F250 VanDerWaalsContact CD-CZ 3.44Å; R238-F250 HydrophobicContact CG-CD1 3.83Å; R238-F250 HydrophobicContact CG-CE1 3.54Å; R238-F250 HydrophobicContact CG-CZ 4.13Å
251S97.4Very high89.5Confident9 Ų972.2 Ų72.26%0.06337%0.372CS..PPolyproline II helixtrans-54.8165.8162.968.10000111.9P159 L162 V237P159-S251 WeakPolarHBondContact O-CB 3.35Å; L162-S251 WeakPolarHBondContact CD2-OG 3.25Å; V237-S251 PolarHBondContact N-OG 3.19Å; V237-S251 WeakPolarHBondContact O-CB 3.48Å; V237-S251 PolarHBondContact O-N 3.19Å; V237-S251 PolarHBondContact O-OG 2.96Å
252E96.3Very high87.4Confident180 Ų18076.6 Ų76.684%0.84140%0.398SS*.PPolyproline II helixtrans-51.9151.1157.2-60.8-175.1161.400110.5L254E252-L254 PolarHBondContact O-N 2.94Å
253V97Very high85.3Confident54 Ų5479.8 Ų79.833%0.32742%0.417SS..PPolyproline II helixtrans-82.3116.9-176.5178.70000109.4E234 Y255E234-V253 HydrophobicContact CB-CG1 3.68Å; E234-V253 HydrophobicContact CG-CG1 3.82Å; V253-Y255 HydrophobicContact CB-CE2 4.33Å; V253-Y255 HydrophobicContact CG1-CD2 4.45Å; V253-Y255 HydrophobicContact CG1-CE2 4.08Å
254L97.3Very high83.3Confident26 Ų2681 Ų8114%0.13642%0.415CS..EExtended strand (participates in β ladder)trans-79.1118.3169.6177.467.5000109L162 W164 V180 V235 E252 V256L162-L254 HydrophobicContact CB-CB 4.08Å; L162-L254 HydrophobicContact CB-CD2 4.22Å; L162-L254 HydrophobicContact CD2-CB 4.04Å; W164-L254 HydrophobicContact CB-CD2 4.2Å; V180-L254 HydrophobicContact CG1-CD2 4.14Å; V235-L254 HydrophobicContact CB-CB 4.25Å; V235-L254 PolarHBondContact N-O 2.82Å; V235-L254 PolarHBondContact O-N 2.83Å; E252-L254 PolarHBondContact O-N 2.94Å; L254-V256 HydrophobicContact CD2-CG2 4.47Å; L254-V256 HydrophobicContact CG-CG2 4.39Å
255Y96.4Very high81.1Confident139 Ų13982.8 Ų82.855%0.54543%0.425SS..EExtended strand (participates in β ladder)trans-84.7131.4170.5-68.2-90.6000110.1V206 E234 V253V206-Y255 HydrophobicContact CG2-CD1 4.45Å; V206-Y255 HydrophobicContact CG2-CE1 4.48Å; E234-Y255 HydrophobicContact CG-CD1 4.13Å; E234-Y255 HydrophobicContact CG-CE1 3.7Å; V253-Y255 HydrophobicContact CB-CE2 4.33Å; V253-Y255 HydrophobicContact CG1-CD2 4.45Å; V253-Y255 HydrophobicContact CG1-CE2 4.08Å
256V96.4Very high79.3Confident0 Ų085.2 Ų85.20%043%0.43CS..EExtended strand (participates in β ladder)trans-116.3101.1176.2-177.40000108.3W164 I178 Y233 V235 L254 L258W164-V256 HydrophobicContact CB-CG2 4.5Å; W164-V256 HydrophobicContact CD2-CG1 3.95Å; W164-V256 HydrophobicContact CD2-CG2 4.48Å; W164-V256 HydrophobicContact CE3-CG1 4.28Å; W164-V256 HydrophobicContact CG-CG1 4.34Å; W164-V256 HydrophobicContact CG-CG2 4.02Å; W164-V256 HydrophobicContact CZ2-CG1 4.19Å; I178-V256 HydrophobicContact CD1-CG1 3.97Å; I178-V256 HydrophobicContact CD1-CG2 4.06Å; Y233-V256 PolarHBondContact N-O 2.1Å; Y233-V256 PolarHBondContact O-N 3.18Å; V235-V256 HydrophobicContact CG2-CG2 3.79Å; L254-V256 HydrophobicContact CD2-CG2 4.47Å; L254-V256 HydrophobicContact CG-CG2 4.39Å; V256-L258 HydrophobicContact CG1-CG 4.43Å
257T93.9Very high77.2Confident72 Ų7288 Ų8844%0.44244%0.441SS..EExtended strand (participates in β ladder)trans-99.5107.5164.6-49.20000106.7W164 E232W164-T257 WeakPolarHBondContact CZ2-O 3.31Å; E232-T257 HydrophobicContact CG-CG2 4.12Å; E232-T257 VanDerWaalsContact OE1-CG2 3.31Å; E232-T257 WeakPolarHBondContact OE1-CG2 3.44Å; E232-T257 PolarHBondContact OE1-OG1 3.09Å
258L91.3Very high75Confident7 Ų792.7 Ų92.74%0.03747%0.465CS..  trans-64.2143.9175.7-75.1163000109.4W164 L166 A176 I178 L227 K228 V229 V256 Q260W164-L258 HydrophobicContact CZ3-CD2 4.21Å; L166-L258 HydrophobicContact CD1-CD2 4.06Å; A176-L258 HydrophobicContact CB-CD1 4.01Å; A176-L258 HydrophobicContact CB-CD2 3.92Å; I178-L258 HydrophobicContact CG2-CD2 3.78Å; L227-L258 HydrophobicContact CB-CD1 3.95Å; K228-L258 WeakPolarHBondContact O-CD1 3.37Å; V229-L258 HydrophobicContact CG1-CB 4.42Å; V229-L258 HydrophobicContact CG2-CD1 4.23Å; V256-L258 HydrophobicContact CG1-CG 4.43Å; L258-Q260 PolarHBondContact O-N 3.34Å
259P83.4Confident72.8Confident79 Ų7996.1 Ų96.151%0.51348%0.482SS..  trans-64111.5173.927.7-33.1000107.6L166 M261L166-P259 HydrophobicContact CD2-CG 4.49Å; P259-M261 VanDerWaalsContact C-N 3.34Å; P259-M261 PolarHBondContact O-N 2.97Å
260Q67.3Low70.7Confident149 Ų149100 Ų10070%0.69650%0.498SS*.  trans-59.7104.5169.2-171.5174.230.700106.5L258 N262L258-Q260 PolarHBondContact O-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.25Å
261M58.2Low68.9Low147 Ų147105.2 Ų105.272%0.72452%0.517SS*.  trans-59109167.8-118.9-178.3172.900104.9P259 Q263P259-M261 VanDerWaalsContact C-N 3.34Å; P259-M261 PolarHBondContact O-N 2.97Å; M261-Q263 PolarHBondContact O-N 2.85Å; M261-Q263 VanDerWaalsContact O-N 3.16Å
262N49.2Very low67Low123 Ų123112.2 Ų112.266%0.65855%0.547SS*.  trans-48.3129.9177.9-1093.6000107.1Q260 F264Q260-N262 PolarHBondContact O-N 3.25Å; N262-F264 HydrophobicContact CB-CD2 4.3Å; N262-F264 HydrophobicContact CB-CE2 4.34Å; N262-F264 PolarHBondContact O-N 2.83Å
263Q44.6Very low65.7Low167 Ų167106.7 Ų106.778%0.7853%0.526SS*.  trans-7270.8178.8-162.5-178.5-38.100108.4M261 T265M261-Q263 PolarHBondContact O-N 2.85Å; M261-Q263 VanDerWaalsContact O-N 3.16Å; Q263-T265 HydrophobicContact CG-CG2 3.73Å; Q263-T265 PolarHBondContact O-N 2.87Å
264F42.7Very low64.3Low182 Ų182112.9 Ų112.980%0.79854%0.544SS*.  trans-57.592.8148.9-76.5-71.9000105.2N262 C266N262-F264 HydrophobicContact CB-CD2 4.3Å; N262-F264 HydrophobicContact CB-CE2 4.34Å; N262-F264 PolarHBondContact O-N 2.83Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 2.84Å
265T38.6Very low63Low60 Ų60117.6 Ų117.637%0.36857%0.569SS.*  trans-65.294.817148.90000107.7Q263 E267Q263-T265 HydrophobicContact CG-CG2 3.73Å; Q263-T265 PolarHBondContact O-N 2.87Å; T265-E267 WeakPolarHBondContact CB-OE2 3.4Å; T265-E267 HydrophobicContact CG2-CG 4.13Å; T265-E267 WeakPolarHBondContact O-CB 3.33Å; T265-E267 PolarHBondContact OG1-OE2 3.19Å
266C43.3Very low62.1Low118 Ų118115.6 Ų115.680%0.79757%0.567SS**  trans-81.484.6136.9-59.20000105.4F264F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 2.84Å
267E45.5Very low61.4Low119 Ų119120.9 Ų120.956%0.55659%0.594SS**  cis2134.931.5-54.6168.7-176.100115.6T265 D269T265-E267 WeakPolarHBondContact CB-OE2 3.4Å; T265-E267 HydrophobicContact CG2-CG 4.13Å; T265-E267 WeakPolarHBondContact O-CB 3.33Å; T265-E267 PolarHBondContact OG1-OE2 3.19Å; E267-D269 PolarHBondContact O-N 2.83Å
268E48.3Very low60.8Low150 Ų150121.8 Ų121.870%0.70160%0.595SS**  -63.387.4116.8-76-157.5170.400104.9F270E268-F270 VanDerWaalsContact C-N 3.28Å; E268-F270 PolarHBondContact O-N 2.85Å
269D48Very low60.5Low76 Ų76126.3 Ų126.341%0.40662%0.618SS.*  trans-60.5100.6173.7-93-36.2000106.5E267 Y271E267-D269 PolarHBondContact O-N 2.83Å; D269-Y271 HydrophobicContact CB-CD2 3.39Å; D269-Y271 HydrophobicContact CB-CE2 3.28Å; D269-Y271 HydrophobicContact CB-CG 4.06Å; D269-Y271 VanDerWaalsContact CG-CZ 3.47Å; D269-Y271 PolarHBondContact O-N 2.8Å; D269-Y271 WeakPolarHBondContact OD2-CE2 3.5Å; D269-Y271 PolarHBondContact OD2-OH 3.39Å
270F51.8Low60.6Low179 Ų179129.7 Ų129.779%0.78563%0.625SS**  trans-68.560.4155.6-86.5-100.6000108.3E268 F272E268-F270 VanDerWaalsContact C-N 3.28Å; E268-F270 PolarHBondContact O-N 2.85Å; F270-F272 PolarHBondContact O-N 3.09Å
271Y59.4Low61.7Low173 Ų173124.6 Ų124.668%0.67861%0.613SS**  trans-54.686.3147-69-55.4000106.3D269 P273D269-Y271 HydrophobicContact CB-CD2 3.39Å; D269-Y271 HydrophobicContact CB-CE2 3.28Å; D269-Y271 HydrophobicContact CB-CG 4.06Å; D269-Y271 VanDerWaalsContact CG-CZ 3.47Å; D269-Y271 PolarHBondContact O-N 2.8Å; D269-Y271 WeakPolarHBondContact OD2-CE2 3.5Å; D269-Y271 PolarHBondContact OD2-OH 3.39Å; Y271-P273 WeakPolarHBondContact O-CA 3.16Å; Y271-P273 VanDerWaalsContact O-N 3.11Å
272F58.3Low63.4Low157 Ų157122.6 Ų122.669%0.68960%0.604SS**  trans-40.8123161.8-146.1-86.7000105.7F270 W274F270-F272 PolarHBondContact O-N 3.09Å; F272-W274 PolarHBondContact O-N 2.92Å
273P68.8Low65.4Low63 Ų63123.3 Ų123.341%0.40960%0.601SS.*SBendtrans-8257.8-14830.1-38000113.7Y271 L275 L276 I277Y271-P273 WeakPolarHBondContact O-CA 3.16Å; Y271-P273 VanDerWaalsContact O-N 3.11Å; P273-L275 PolarHBondContact O-N 2.65Å; P273-L276 HydrophobicContact CB-CB 4.09Å; P273-L276 HydrophobicContact CB-CD1 3.89Å; P273-L276 HydrophobicContact CB-CG 3.97Å; P273-L276 WeakPolarHBondContact O-CA 3.29Å; P273-L276 WeakPolarHBondContact O-CB 3.49Å; P273-L276 PolarHBondContact O-N 2.7Å; P273-I277 WeakPolarHBondContact O-CG1 3.28Å; P273-I277 PolarHBondContact O-N 3.1Å
274W67.5Low67.6Low184 Ų184117 Ų11770%0.69758%0.58SS**Hα-helixtrans-56.9-35.8174.9-73.849.8000110.7F272 L276 I277 I278F272-W274 PolarHBondContact O-N 2.92Å; W274-L276 PolarHBondContact O-N 3.28Å; W274-I277 PolarHBondContact O-N 3.39Å; W274-I278 WeakPolarHBondContact O-CB 3.41Å; W274-I278 WeakPolarHBondContact O-CD1 3.44Å; W274-I278 WeakPolarHBondContact O-CG1 3.28Å; W274-I278 PolarHBondContact O-N 3.13Å
275L70.9Confident70Confident126 Ų126113.5 Ų113.566%0.6657%0.57SS**Hα-helixtrans-59.4-43.4171.1-73.9172.1000112.3P273 I278 I279P273-L275 PolarHBondContact O-N 2.65Å; L275-I278 PolarHBondContact O-N 2.8Å; L275-I279 WeakPolarHBondContact O-CB 3.48Å; L275-I279 WeakPolarHBondContact O-CD1 3.35Å; L275-I279 WeakPolarHBondContact O-CG1 3.34Å; L275-I279 PolarHBondContact O-N 3.38Å
276L76.9Confident72.4Confident96 Ų96113.3 Ų113.350%0.50357%0.568SS.*Hα-helixtrans-67.8-40.3174.8-59.2-176.2000111.3P273 W274 I278 I279 F280P273-L276 HydrophobicContact CB-CB 4.09Å; P273-L276 HydrophobicContact CB-CD1 3.89Å; P273-L276 HydrophobicContact CB-CG 3.97Å; P273-L276 WeakPolarHBondContact O-CA 3.29Å; P273-L276 WeakPolarHBondContact O-CB 3.49Å; P273-L276 PolarHBondContact O-N 2.7Å; W274-L276 PolarHBondContact O-N 3.28Å; L276-I278 VanDerWaalsContact C-N 3.31Å; L276-I278 PolarHBondContact O-N 2.83Å; L276-I279 PolarHBondContact O-N 3.31Å; L276-F280 HydrophobicContact CB-CD2 4.41Å; L276-F280 WeakPolarHBondContact O-CB 3.26Å; L276-F280 VanDerWaalsContact O-CD2 3.29Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 2.02Å
277I81.1Confident74.7Confident111 Ų111110.8 Ų110.857%0.56955%0.549SS*.Hα-helixtrans-61.1-40.7176.2-64169000110.8P273 W274 G281P273-I277 WeakPolarHBondContact O-CG1 3.28Å; P273-I277 PolarHBondContact O-N 3.1Å; W274-I277 PolarHBondContact O-N 3.39Å; I277-G281 WeakPolarHBondContact O-CA 3.33Å; I277-G281 PolarHBondContact O-N 2.85Å
278I82.4Confident76.6Confident92 Ų92111.5 Ų111.547%0.47255%0.554SS.*Hα-helixtrans-67-45.9175.4-70.1162.3000110.7W274 L275 L276 G281 I282W274-I278 WeakPolarHBondContact O-CB 3.41Å; W274-I278 WeakPolarHBondContact O-CD1 3.44Å; W274-I278 WeakPolarHBondContact O-CG1 3.28Å; W274-I278 PolarHBondContact O-N 3.13Å; L275-I278 PolarHBondContact O-N 2.8Å; L276-I278 VanDerWaalsContact C-N 3.31Å; L276-I278 PolarHBondContact O-N 2.83Å; I278-G281 PolarHBondContact O-N 3.03Å; I278-I282 HydrophobicContact CG2-CD1 3.74Å; I278-I282 HydrophobicContact CG2-CG1 4.48Å; I278-I282 WeakPolarHBondContact O-CB 3.39Å; I278-I282 VanDerWaalsContact O-CG1 3.29Å; I278-I282 WeakPolarHBondContact O-CG1 3.39Å; I278-I282 PolarHBondContact O-N 3.19Å
279I85.2Confident78.4Confident101 Ų101108.9 Ų108.952%0.51854%0.544SS..Hα-helixtrans-62.5-48.9178.3-71162.8000111.1L275 L276 G281 I282 F283L275-I279 WeakPolarHBondContact O-CB 3.48Å; L275-I279 WeakPolarHBondContact O-CD1 3.35Å; L275-I279 WeakPolarHBondContact O-CG1 3.34Å; L275-I279 PolarHBondContact O-N 3.38Å; L276-I279 PolarHBondContact O-N 3.31Å; I279-G281 VanDerWaalsContact C-N 3.32Å; I279-G281 PolarHBondContact O-N 3.15Å; I279-I282 PolarHBondContact O-N 2.7Å; I279-F283 VanDerWaalsContact O-CB 3.31Å; I279-F283 WeakPolarHBondContact O-CB 3.31Å; I279-F283 PolarHBondContact O-N 2.78Å
280F85.7Confident80Confident151 Ų151111.2 Ų111.266%0.66255%0.551SS**Hα-helixtrans-66.3-33.1175.7-83-72000112.4L276 G284L276-F280 HydrophobicContact CB-CD2 4.41Å; L276-F280 WeakPolarHBondContact O-CB 3.26Å; L276-F280 VanDerWaalsContact O-CD2 3.29Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 2.02Å; F280-G284 PolarHBondContact O-N 2.79Å
281G90.2Very high81.5Confident42 Ų42106.8 Ų106.843%0.43354%0.538SS..Hα-helixtrans-64.4-48.5173.700000112.5I277 I278 I279 G284 L285I277-G281 WeakPolarHBondContact O-CA 3.33Å; I277-G281 PolarHBondContact O-N 2.85Å; I278-G281 PolarHBondContact O-N 3.03Å; I279-G281 VanDerWaalsContact C-N 3.32Å; I279-G281 PolarHBondContact O-N 3.15Å; G281-G284 PolarHBondContact O-N 2.9Å; G281-L285 VanDerWaalsContact O-CB 3.26Å; G281-L285 WeakPolarHBondContact O-CB 3.43Å; G281-L285 PolarHBondContact O-N 2.62Å
282I92.3Very high82.5Confident105 Ų105104.1 Ų104.154%0.53853%0.531SS..Hα-helixtrans-63.6-43175.2-67.6166.5000110.6I278 I279 L285 T286I278-I282 HydrophobicContact CG2-CD1 3.74Å; I278-I282 HydrophobicContact CG2-CG1 4.48Å; I278-I282 WeakPolarHBondContact O-CB 3.39Å; I278-I282 VanDerWaalsContact O-CG1 3.29Å; I278-I282 WeakPolarHBondContact O-CG1 3.39Å; I278-I282 PolarHBondContact O-N 3.19Å; I279-I282 PolarHBondContact O-N 2.7Å; I282-L285 PolarHBondContact O-N 2.78Å; I282-T286 HydrophobicContact CG2-CG2 4.49Å; I282-T286 WeakPolarHBondContact O-CB 3.48Å; I282-T286 WeakPolarHBondContact O-CG2 3.36Å; I282-T286 PolarHBondContact O-N 3.19Å; I282-T286 PolarHBondContact O-OG1 2.83Å
283F92.2Very high83.4Confident138 Ų138101.4 Ų101.461%0.60552%0.523SS*.Hα-helixtrans-64.6-44.9177.9-165.3-97.5000111.7I279 L285 T286 V287I279-F283 VanDerWaalsContact O-CB 3.31Å; I279-F283 WeakPolarHBondContact O-CB 3.31Å; I279-F283 PolarHBondContact O-N 2.78Å; F283-L285 PolarHBondContact O-N 3.42Å; F283-T286 WeakPolarHBondContact CA-OG1 3.47Å; F283-T286 PolarHBondContact O-N 3.01Å; F283-T286 PolarHBondContact O-OG1 2.93Å; F283-V287 HydrophobicContact CD1-CG2 4.17Å; F283-V287 HydrophobicContact CE1-CG2 3.93Å; F283-V287 HydrophobicContact CZ-CG2 4.35Å; F283-V287 WeakPolarHBondContact O-CB 3.44Å; F283-V287 VanDerWaalsContact O-CG2 3.29Å; F283-V287 WeakPolarHBondContact O-CG2 3.27Å; F283-V287 PolarHBondContact O-N 2.05Å
284G91.1Very high83.4Confident33 Ų33104.3 Ų104.334%0.3453%0.529SS..Hα-helixtrans-61.4-41.8174.200000112.9F280 G281 V287 M288F280-G284 PolarHBondContact O-N 2.79Å; G281-G284 PolarHBondContact O-N 2.9Å; G284-V287 PolarHBondContact O-N 2.93Å; G284-M288 WeakPolarHBondContact O-CB 3.15Å; G284-M288 VanDerWaalsContact O-CG 3.27Å; G284-M288 WeakPolarHBondContact O-CG 3.34Å; G284-M288 PolarHBondContact O-N 3.4Å
285L91.7Very high83.5Confident110 Ų11098.7 Ų98.758%0.57652%0.518SS*.Hα-helixtrans-69.3-40.5179.8-166150.7000111.9G281 I282 F283 M288 L289G281-L285 VanDerWaalsContact O-CB 3.26Å; G281-L285 WeakPolarHBondContact O-CB 3.43Å; G281-L285 PolarHBondContact O-N 2.62Å; I282-L285 PolarHBondContact O-N 2.78Å; F283-L285 PolarHBondContact O-N 3.42Å; L285-M288 PolarHBondContact O-N 3.17Å; L285-L289 HydrophobicContact CD2-CD1 3.69Å; L285-L289 HydrophobicContact CD2-CG 4.19Å; L285-L289 WeakPolarHBondContact O-CG 3.23Å; L285-L289 PolarHBondContact O-N 3.09Å
286T90.1Very high83Confident55 Ų5597.8 Ų97.834%0.33751%0.509SS..Hα-helixtrans-65.4-42.4173.350.40000112.1I282 F283 M288 L289 F290I282-T286 HydrophobicContact CG2-CG2 4.49Å; I282-T286 WeakPolarHBondContact O-CB 3.48Å; I282-T286 WeakPolarHBondContact O-CG2 3.36Å; I282-T286 PolarHBondContact O-N 3.19Å; I282-T286 PolarHBondContact O-OG1 2.83Å; F283-T286 WeakPolarHBondContact CA-OG1 3.47Å; F283-T286 PolarHBondContact O-N 3.01Å; F283-T286 PolarHBondContact O-OG1 2.93Å; T286-M288 VanDerWaalsContact C-N 3.35Å; T286-M288 PolarHBondContact O-N 2.9Å; T286-L289 PolarHBondContact O-N 2.89Å; T286-F290 WeakPolarHBondContact O-CD2 3.32Å; T286-F290 PolarHBondContact O-N 2.98Å
287V90.6Very high82Confident65 Ų6598.8 Ų98.839%0.39451%0.511SS..Hα-helixtrans-60.3-43.2173169.50000111.4F283 G284 L289 F290 V291F283-V287 HydrophobicContact CD1-CG2 4.17Å; F283-V287 HydrophobicContact CE1-CG2 3.93Å; F283-V287 HydrophobicContact CZ-CG2 4.35Å; F283-V287 WeakPolarHBondContact O-CB 3.44Å; F283-V287 VanDerWaalsContact O-CG2 3.29Å; F283-V287 WeakPolarHBondContact O-CG2 3.27Å; F283-V287 PolarHBondContact O-N 2.05Å; G284-V287 PolarHBondContact O-N 2.93Å; V287-L289 PolarHBondContact O-N 2.85Å; V287-F290 PolarHBondContact O-N 3.2Å; V287-V291 HydrophobicContact CG1-CG2 4.48Å; V287-V291 WeakPolarHBondContact O-CG2 3.25Å; V287-V291 PolarHBondContact O-N 3.3Å
288M85.8Confident80.8Confident135 Ų135100.5 Ų100.567%0.66552%0.517SS*.Hα-helixtrans-64.1-38.4175.9-74.8-68.5-75.400112.5G284 L285 T286 V291 F292G284-M288 WeakPolarHBondContact O-CB 3.15Å; G284-M288 VanDerWaalsContact O-CG 3.27Å; G284-M288 WeakPolarHBondContact O-CG 3.34Å; G284-M288 PolarHBondContact O-N 3.4Å; L285-M288 PolarHBondContact O-N 3.17Å; T286-M288 VanDerWaalsContact C-N 3.35Å; T286-M288 PolarHBondContact O-N 2.9Å; M288-V291 PolarHBondContact O-N 3.18Å; M288-F292 WeakPolarHBondContact O-CB 3.36Å; M288-F292 PolarHBondContact O-N 2.91Å
289L85.4Confident79.7Confident94 Ų94106 Ų10649%0.49253%0.531SS..Hα-helixtrans-63.6-44.1172.2-75.2172.7000111.8L285 T286 V287 F292 L293L285-L289 HydrophobicContact CD2-CD1 3.69Å; L285-L289 HydrophobicContact CD2-CG 4.19Å; L285-L289 WeakPolarHBondContact O-CG 3.23Å; L285-L289 PolarHBondContact O-N 3.09Å; T286-L289 PolarHBondContact O-N 2.89Å; V287-L289 PolarHBondContact O-N 2.85Å; L289-F292 PolarHBondContact O-N 2.82Å; L289-L293 WeakPolarHBondContact O-CB 3.15Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 2.78Å
290F83.6Confident78.4Confident125 Ų125104.7 Ų104.755%0.54853%0.525SS..Hα-helixtrans-61.8-44.7174.7-80.9-64.8000111.9T286 V287 F292 L293 F294T286-F290 WeakPolarHBondContact O-CD2 3.32Å; T286-F290 PolarHBondContact O-N 2.98Å; V287-F290 PolarHBondContact O-N 3.2Å; F290-F292 VanDerWaalsContact C-N 3.32Å; F290-F292 PolarHBondContact O-N 3.45Å; F290-L293 PolarHBondContact O-N 2.58Å; F290-F294 HydrophobicContact CB-CD2 4.32Å; F290-F294 HydrophobicContact CB-CE2 4.31Å; F290-F294 HydrophobicContact CD1-CE2 4.04Å; F290-F294 WeakPolarHBondContact O-CD2 3.45Å; F290-F294 PolarHBondContact O-N 3.12Å
291V82.7Confident76.8Confident86 Ų86104.5 Ų104.552%0.52152%0.524SS..Hα-helixtrans-62.1-39175.91710000111.4V287 M288 S295V287-V291 HydrophobicContact CG1-CG2 4.48Å; V287-V291 WeakPolarHBondContact O-CG2 3.25Å; V287-V291 PolarHBondContact O-N 3.3Å; M288-V291 PolarHBondContact O-N 3.18Å; V291-S295 VanDerWaalsContact O-CB 3.23Å; V291-S295 WeakPolarHBondContact O-CB 3.45Å; V291-S295 PolarHBondContact O-N 2.89Å; V291-S295 PolarHBondContact O-OG 3.1Å
292F80.2Confident75.2Confident118 Ų118110.3 Ų110.352%0.51854%0.541SS..Hα-helixtrans-63.4-45.4173-177.6-100.5000111.9M288 L289 F290 S295 K296M288-F292 WeakPolarHBondContact O-CB 3.36Å; M288-F292 PolarHBondContact O-N 2.91Å; L289-F292 PolarHBondContact O-N 2.82Å; F290-F292 VanDerWaalsContact C-N 3.32Å; F290-F292 PolarHBondContact O-N 3.45Å; F292-S295 PolarHBondContact O-OG 2.89Å; F292-S295 VanDerWaalsContact O-OG 3.1Å; F292-K296 HydrophobicContact CD1-CG 4.31Å; F292-K296 HydrophobicContact CE1-CG 4.16Å; F292-K296 HydrophobicContact CE2-CG 4.46Å; F292-K296 HydrophobicContact CZ-CD 4.44Å; F292-K296 HydrophobicContact CZ-CG 4.26Å; F292-K296 VanDerWaalsContact O-CB 3.24Å; F292-K296 WeakPolarHBondContact O-CB 3.25Å; F292-K296 WeakPolarHBondContact O-CG 3.07Å; F292-K296 PolarHBondContact O-N 3.21Å
293L76.2Confident73.5Confident99 Ų99112.2 Ų112.252%0.51855%0.552SS.*Hα-helixtrans-64-45.6177.7-70.6169000112.2L289 F290 K296 Q297L289-L293 WeakPolarHBondContact O-CB 3.15Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 2.78Å; F290-L293 PolarHBondContact O-N 2.58Å; L293-K296 PolarHBondContact O-N 2.83Å; L293-Q297 WeakPolarHBondContact O-CG 3.36Å; L293-Q297 PolarHBondContact O-N 3.09Å
294F69.4Low71.8Confident124 Ų124111.7 Ų111.754%0.54455%0.554SS.*Hα-helixtrans-70.7-38179.2-74.1-61.8000113.2F290 Q297 Q298F290-F294 HydrophobicContact CB-CD2 4.32Å; F290-F294 HydrophobicContact CB-CE2 4.31Å; F290-F294 HydrophobicContact CD1-CE2 4.04Å; F290-F294 WeakPolarHBondContact O-CD2 3.45Å; F290-F294 PolarHBondContact O-N 3.12Å; F294-Q297 PolarHBondContact O-N 3.35Å; F294-Q298 PolarHBondContact O-N 2.65Å
295S68.9Low70.1Confident67 Ų67115.3 Ų115.347%0.46957%0.565SS.*Hα-helixtrans-68.9-34.5173.860.50000112.3V291 F292V291-S295 VanDerWaalsContact O-CB 3.23Å; V291-S295 WeakPolarHBondContact O-CB 3.45Å; V291-S295 PolarHBondContact O-N 2.89Å; V291-S295 PolarHBondContact O-OG 3.1Å; F292-S295 PolarHBondContact O-OG 2.89Å; F292-S295 VanDerWaalsContact O-OG 3.1Å
296K60.4Low67.9Low106 Ų106114.6 Ų114.646%0.46157%0.567SS.*Hα-helixtrans-64.6-41.8166.8-73.2-81.9-175.6165.30111.4F292 L293 Q298 R299 I300F292-K296 HydrophobicContact CD1-CG 4.31Å; F292-K296 HydrophobicContact CE1-CG 4.16Å; F292-K296 HydrophobicContact CE2-CG 4.46Å; F292-K296 HydrophobicContact CZ-CD 4.44Å; F292-K296 HydrophobicContact CZ-CG 4.26Å; F292-K296 VanDerWaalsContact O-CB 3.24Å; F292-K296 WeakPolarHBondContact O-CB 3.25Å; F292-K296 WeakPolarHBondContact O-CG 3.07Å; F292-K296 PolarHBondContact O-N 3.21Å; L293-K296 PolarHBondContact O-N 2.83Å; K296-Q298 VanDerWaalsContact C-N 3.29Å; K296-Q298 PolarHBondContact O-N 2.74Å; K296-R299 CarbonylContact O-C 3.57Å; K296-R299 PolarHBondContact O-N 3.01Å; K296-I300 HydrophobicContact CB-CD1 4.02Å; K296-I300 VanDerWaalsContact O-CG1 3.31Å; K296-I300 WeakPolarHBondContact O-CG1 3.15Å; K296-I300 PolarHBondContact O-N 3.31Å
297Q57.3Low66Low118 Ų118118 Ų11855%0.55159%0.59SS**Hα-helixtrans-59-35.2178.3-83.4-163.53.100113.2L293 F294 R299 I300 K301L293-Q297 WeakPolarHBondContact O-CG 3.36Å; L293-Q297 PolarHBondContact O-N 3.09Å; F294-Q297 PolarHBondContact O-N 3.35Å; Q297-R299 VanDerWaalsContact C-N 3.28Å; Q297-R299 PolarHBondContact O-N 3.04Å; Q297-I300 PolarHBondContact O-N 3.48Å; Q297-K301 WeakPolarHBondContact O-CB 3.41Å; Q297-K301 PolarHBondContact O-N 3.49Å
298Q56.5Low64.2Low147 Ų147120.3 Ų120.369%0.68760%0.604SS**Hα-helixtrans-61-35.6173.3-70.3-68-8.500112.7F294 K296F294-Q298 PolarHBondContact O-N 2.65Å; K296-Q298 VanDerWaalsContact C-N 3.29Å; K296-Q298 PolarHBondContact O-N 2.74Å
299R58.5Low62.3Low207 Ų207119.4 Ų119.478%0.78161%0.608SS**Hα-helixtrans-81.8-33.7174.2-65.4-165.7179.5-153.51.3113.2K296 Q297 M302 L303K296-R299 CarbonylContact O-C 3.57Å; K296-R299 PolarHBondContact O-N 3.01Å; Q297-R299 VanDerWaalsContact C-N 3.28Å; Q297-R299 PolarHBondContact O-N 3.04Å; R299-M302 WeakPolarHBondContact O-CB 3.1Å; R299-M302 PolarHBondContact O-N 3.25Å; R299-L303 PolarHBondContact O-N 2.7Å
300I57.5Low60.4Low73 Ų73120.6 Ų120.637%0.37462%0.619SS.*Hα-helixtrans-70.6-35.6177.5-67.2164.6000111.1K296 Q297 M302 L303 I304K296-I300 HydrophobicContact CB-CD1 4.02Å; K296-I300 VanDerWaalsContact O-CG1 3.31Å; K296-I300 WeakPolarHBondContact O-CG1 3.15Å; K296-I300 PolarHBondContact O-N 3.31Å; Q297-I300 PolarHBondContact O-N 3.48Å; I300-M302 PolarHBondContact O-N 2.8Å; I300-L303 WeakPolarHBondContact O-CA 3.13Å; I300-L303 WeakPolarHBondContact O-CB 3.41Å; I300-L303 PolarHBondContact O-N 3.24Å; I300-I304 HydrophobicContact CG2-CD1 3.44Å; I300-I304 VanDerWaalsContact CG2-CD1 3.44Å; I300-I304 HydrophobicContact CG2-CG1 3.93Å; I300-I304 PolarHBondContact O-N 3.19Å
301K52.5Low58.5Low148 Ų148119.3 Ų119.364%0.64362%0.624SS**Hα-helixtrans-61.8-27.4172.8-169.7171.6-176.2176.30112.2Q297Q297-K301 WeakPolarHBondContact O-CB 3.41Å; Q297-K301 PolarHBondContact O-N 3.49Å
302M55.8Low56.9Low163 Ų163124.7 Ų124.780%0.80364%0.64SS**Hα-helixtrans-81.2-12.6172.7-146.1-179.9-159.100113.6R299 I300R299-M302 WeakPolarHBondContact O-CB 3.1Å; R299-M302 PolarHBondContact O-N 3.25Å; I300-M302 PolarHBondContact O-N 2.8Å
303L57.1Low55.6Low146 Ų146125.7 Ų125.776%0.76465%0.649SS**Hα-helixtrans-103.8-34-177.1-165.172.5000112.7R299 I300R299-L303 PolarHBondContact O-N 2.7Å; I300-L303 WeakPolarHBondContact O-CA 3.13Å; I300-L303 WeakPolarHBondContact O-CB 3.41Å; I300-L303 PolarHBondContact O-N 3.24Å
304I57.2Low54.2Low126 Ų126131 Ų13165%0.64667%0.668SS**Hα-helixtrans-88.6-27-178.9-64.8-177.7000112.1I300I300-I304 HydrophobicContact CG2-CD1 3.44Å; I300-I304 VanDerWaalsContact CG2-CD1 3.44Å; I300-I304 HydrophobicContact CG2-CG1 3.93Å; I300-I304 PolarHBondContact O-N 3.19Å
305L54.2Low53.3Low110 Ų110128.7 Ų128.758%0.57668%0.679SS**  trans-123.598.2177.6-74.4166.9000110.2
306P46.6Very low52.7Low94 Ų94131.7 Ų131.761%0.6169%0.689SS**  trans-60.1152.3162.128.1-34.5000109.5V308P306-V308 PolarHBondContact O-N 3.11Å
307P49.8Very low52.4Low128 Ų128131.2 Ų131.283%0.83169%0.691SS**  trans-63.8104.6-179.726.1-33.9000110.3
308V51.7Low52.3Low113 Ų113130 Ų13069%0.68569%0.694SS**PPolyproline II helixtrans-60.3125.9179.4179.30000108.9P306 V310P306-V308 PolarHBondContact O-N 3.11Å; V308-V310 PolarHBondContact O-N 3.39Å
309P46.1Very low52.3Low115 Ų115128.1 Ų128.175%0.74769%0.688SS**PPolyproline II helixtrans-64.6121.9-178.625.4-33.6000110.3P311P309-P311 WeakPolarHBondContact O-CD 3.04Å
310V46.5Very low52Low120 Ų120124.9 Ų124.973%0.72769%0.686SS**PPolyproline II helixtrans-60.2120.1-175.7178.10000110.6V308 K312V308-V310 PolarHBondContact O-N 3.39Å; V310-K312 PolarHBondContact O-N 2.76Å; V310-K312 VanDerWaalsContact O-N 3.09Å
311P43.6Very low51.9Low98 Ų98128.3 Ų128.364%0.63670%0.704SS**  trans-67.8109.716828.3-32000108.3P309 I313P309-P311 WeakPolarHBondContact O-CD 3.04Å; P311-I313 HydrophobicContact CB-CG1 4.42Å; P311-I313 PolarHBondContact O-N 2.97Å
312K48.5Very low52Low198 Ų198129.3 Ų129.386%0.86171%0.708SS**  trans-73.571.6177-72.1-173.2176.3-178.90111V310 K314V310-K312 PolarHBondContact O-N 2.76Å; V310-K312 VanDerWaalsContact O-N 3.09Å; K312-K314 PolarHBondContact O-N 2.81Å
313I53.8Low51.7Low140 Ų140129.4 Ų129.472%0.71871%0.707SS**  trans-69.197.4169.5-52.5179.3000107.5P311 G315P311-I313 HydrophobicContact CB-CG1 4.42Å; P311-I313 PolarHBondContact O-N 2.97Å; I313-G315 PolarHBondContact O-N 2.91Å; I313-G315 VanDerWaalsContact O-N 3.14Å
314K46.9Very low51.7Low210 Ų210126.5 Ų126.591%0.91371%0.712SS**THydrogen-bonded Turntrans-77.495.9-174.7-176.1-174.9179.9-1750110.1K312K312-K314 PolarHBondContact O-N 2.81Å
315G49.6Very low51.3Low75 Ų75127.2 Ų127.277%0.77371%0.71SS**THydrogen-bonded Turntrans171.5-15.6173.300000118I313I313-G315 PolarHBondContact O-N 2.91Å; I313-G315 VanDerWaalsContact O-N 3.14Å
316I57.4Low51.3Low131 Ų131129.3 Ų129.367%0.67272%0.721SS**  trans-115.2126.5-179-61.6171.9000109.2L321I316-L321 HydrophobicContact CG2-CD1 4.27Å
317D52.8Low51.4Low96 Ų96131.5 Ų131.551%0.51372%0.724SS.*  trans-83.4118.6-179.9-160-18.1000109.8D319 L320D317-D319 PolarHBondContact O-N 2.92Å; D317-L320 HydrophobicContact CB-CD1 4.31Å; D317-L320 HydrophobicContact CB-CG 4.5Å; D317-L320 PolarHBondContact O-N 2.86Å
318P56.3Low51.5Low93 Ų93132.4 Ų132.460%0.60472%0.716SS**G310 helixtrans-64.6-20.5-171.424.7-35.9000114.6L320 L321P318-L320 VanDerWaalsContact C-N 3.35Å; P318-L321 PolarHBondContact O-N 2.96Å
319D55.4Low51.6Low106 Ų106130.9 Ų130.957%0.56771%0.707SS**G310 helixtrans-74.5-24.7178.6-72.3-36.2000112.5D317 L321 K322D317-D319 PolarHBondContact O-N 2.92Å; D319-L321 PolarHBondContact O-N 3.06Å; D319-K322 VanDerWaalsContact O-CB 3.31Å; D319-K322 WeakPolarHBondContact O-CB 3.47Å; D319-K322 PolarHBondContact O-N 2.87Å; D319-K322 VanDerWaalsContact O-N 3.13Å
320L53.4Low51.6Low140 Ų140132 Ų13273%0.73371%0.707SS**G310 helixtrans-71.8-13.1173.2-70.3175.8000114D317 P318 K322D317-L320 HydrophobicContact CB-CD1 4.31Å; D317-L320 HydrophobicContact CB-CG 4.5Å; D317-L320 PolarHBondContact O-N 2.86Å; P318-L320 VanDerWaalsContact C-N 3.35Å; L320-K322 VanDerWaalsContact C-N 3.33Å
321L55.4Low51.6Low144 Ų144131.3 Ų131.375%0.75470%0.703SS**G310 helixtrans-89.6-0.1172.1-74.8167.5000112.8I316 P318 D319I316-L321 HydrophobicContact CG2-CD1 4.27Å; P318-L321 PolarHBondContact O-N 2.96Å; D319-L321 PolarHBondContact O-N 3.06Å
322K53.4Low51.9Low169 Ų169133.3 Ų133.374%0.73571%0.707SS**THydrogen-bonded Turntrans-105.2-26.8-171.5-138.8176.9-171.7176.80113.4D319 L320D319-K322 VanDerWaalsContact O-CB 3.31Å; D319-K322 WeakPolarHBondContact O-CB 3.47Å; D319-K322 PolarHBondContact O-N 2.87Å; D319-K322 VanDerWaalsContact O-N 3.13Å; L320-K322 VanDerWaalsContact C-N 3.33Å
323E50.8Low51.8Low165 Ų165131.4 Ų131.477%0.77171%0.705SS**SBendtrans-90117.4164.5-65.8-166.5128.400109.1K325E323-K325 PolarHBondContact O-N 3.48Å; E323-K325 VanDerWaalsContact O-N 3.15Å
324G56.2Low51.3Low85 Ų85127.7 Ų127.788%0.87670%0.696SS**  trans-73.1107.3-166.500000113.8
325K48.4Very low51.1Low142 Ų142125 Ų12562%0.61769%0.69SS**  trans-133.357.3167.1-157177.5-179.1-166.10112.6E323 E327E323-K325 PolarHBondContact O-N 3.48Å; E323-K325 VanDerWaalsContact O-N 3.15Å; K325-E327 WeakPolarHBondContact CE-OE1 3.39Å; K325-E327 HydrophobicContact CG-CG 3.92Å; K325-E327 IonicContact NZ-OE1 3.94Å; K325-E327 PolarHBondContact O-N 2.05Å
326L54.3Low50.4Low154 Ų154130 Ų13081%0.80669%0.692SS**THydrogen-bonded Turntrans-76.429.2-174-157.686.4000114.5V329L326-V329 HydrophobicContact CD1-CG2 4.18Å; L326-V329 HydrophobicContact CG-CG2 4.44Å
327E48.8Very low49.2Very low140 Ų140130.6 Ų130.665%0.65470%0.697SS**THydrogen-bonded Turntrans-101.2-14.5-173.757.5-164.6-159.300113.7K325K325-E327 WeakPolarHBondContact CE-OE1 3.39Å; K325-E327 HydrophobicContact CG-CG 3.92Å; K325-E327 IonicContact NZ-OE1 3.94Å; K325-E327 PolarHBondContact O-N 2.05Å
328E51.4Low48Very low146 Ų146131 Ų13168%0.68271%0.707SS**SBendtrans-99.8-15.6-177.2-159.5157.7-153.200113.3
329V54.9Low46.8Very low81 Ų81137 Ų13749%0.49172%0.72SS.*G310 helixtrans-75.7-24.4-177.4-149.90000113L326 T331 I332L326-V329 HydrophobicContact CD1-CG2 4.18Å; L326-V329 HydrophobicContact CG-CG2 4.44Å; V329-T331 PolarHBondContact O-N 2.99Å; V329-I332 PolarHBondContact O-N 2.84Å
330N45.8Very low45.3Very low138 Ų138138.7 Ų138.774%0.73872%0.722SS**G310 helixtrans-72-12.4-175.2-156.230.8000113.2I332N330-I332 VanDerWaalsContact C-N 3.34Å
331T45.7Very low44.6Very low107 Ų107137.4 Ų137.466%0.65672%0.722SS**G310 helixtrans-85.4-5.4-177.9-35.80000113.1V329V329-T331 PolarHBondContact O-N 2.99Å
332I50.7Low43.3Very low139 Ų139136.1 Ų136.171%0.71371%0.712SS**SBendtrans-105.6-13.7-173.6-56.6178.2000112.5V329 N330V329-I332 PolarHBondContact O-N 2.84Å; N330-I332 VanDerWaalsContact C-N 3.34Å
333L46.6Very low42.1Very low158 Ų158135.5 Ų135.583%0.82771%0.71SS**SBendtrans-86.6-3.2173.6-87.881.1000113.9
334A42.6Very low41.1Very low62 Ų62135.4 Ų135.451%0.51271%0.709SS.*SBendtrans-96146.7169.400000110.2
335I43Very low39.6Very low154 Ų154135.4 Ų135.479%0.7970%0.695SS**SBendtrans7373178.3-39.9168.6000114.3
336H35.6Very low38.7Very low179 Ų179135.4 Ų135.483%0.82970%0.702SS**  -162.2118.3105.8-116-73.2000113.7
337D32.1Very low37.6Very low145 Ų145135.4 Ų135.478%0.77570%0.703SS**  trans-93.8170.1176.4-94.5-57.6000113.3
338S28.1Very low37Very low103 Ų103133.6 Ų133.672%0.7271%0.706SS**  trans81.6132.7165.2-34.10000115.7
339Y29.6Very low36.1Very low221 Ų221138.2 Ų138.287%0.86772%0.717SS**  cis-153.6168.446.1-126.9-93.8000115.1
340K25.3Very low35Very low140 Ų140140.3 Ų140.361%0.60973%0.73SS**  trans-62.5174.9170.4-98.9-166.5171-163.60114.3E342K340-E342 VanDerWaalsContact CE-OE1 3.28Å; K340-E342 WeakPolarHBondContact CE-OE1 3.36Å; K340-E342 WeakPolarHBondContact CE-OE2 3.49Å; K340-E342 IonicContact NZ-OE1 2.67Å; K340-E342 PolarHBondContact NZ-OE1 3.25Å; K340-E342 IonicContact NZ-OE2 2.65Å; K340-E342 PolarHBondContact NZ-OE2 3.17Å
341P38.3Very low34.6Very low113 Ų113141.1 Ų141.173%0.73473%0.729SS**  cis-118.4173.25.116.49.5000113.4
342E27.8Very low34Very low117 Ų117143 Ų14355%0.54773%0.728SS.*  cis90.4128.829.2-154.2177.4-122.700115.4K340K340-E342 VanDerWaalsContact CE-OE1 3.28Å; K340-E342 WeakPolarHBondContact CE-OE1 3.36Å; K340-E342 WeakPolarHBondContact CE-OE2 3.49Å; K340-E342 IonicContact NZ-OE1 2.67Å; K340-E342 PolarHBondContact NZ-OE1 3.25Å; K340-E342 IonicContact NZ-OE2 2.65Å; K340-E342 PolarHBondContact NZ-OE2 3.17Å
343F28.8Very low33.4Very low157 Ų157142.6 Ų142.669%0.68973%0.726SS**  trans106129.3166.2-71.5-76.5000122
344H28.4Very low33.1Very low163 Ų163144 Ų14476%0.75573%0.728SS**  trans59.6154.1155.2-67.9-52.4000119.8
345S25.8Very low32.8Very low84 Ų84147.8 Ų147.859%0.58774%0.74SS**  cis162.1139.9-25.9-1000000106.3
346D29.3Very low32.3Very low142 Ų142147.3 Ų147.376%0.75974%0.739SS**  trans69.7112.5149.9-48.71.4000120.5
347D31.5Very low32.2Very low155 Ų155146.5 Ų146.583%0.82974%0.739SS**  56.2102.4128-62.32.1000122.4
348S35.5Very low32.4Very low102 Ų102147.1 Ų147.171%0.71374%0.742SS**  -170.5139.7120.333.40000108.3
349W33.5Very low33Very low243 Ų243150.7 Ų150.792%0.9275%0.747SS**  cis-133.3149.625.9-67.770.9000113.2
350V31.9Very low33.7Very low125 Ų125146.1 Ų146.176%0.75875%0.745SS**  trans-107.4-179.5160.9174.40000107.3
351E36.6Very low34Very low154 Ų154146.3 Ų146.372%0.7275%0.752SS**  trans93.1128.1175.2-51-165166.600115.8
352F33.4Very low34Very low147 Ų147147.2 Ų147.265%0.64575%0.747SS**  cis-157.4143.8-12.5-102-35000113.2
353I38.5Very low34.4Very low130 Ų130149 Ų14967%0.66775%0.753SS**  trans37.996.6131.4-61.1167.7000118.5L355I353-L355 HydrophobicContact CG2-CD1 4.43Å
354E40.3Very low34.4Very low187 Ų187147.8 Ų147.887%0.87475%0.753SS**  -3.4121.8123.7179.9174.9-12300118.8
355L35Very low34.7Very low143 Ų143147.9 Ų147.975%0.74975%0.754SS**  trans178.3145.7156.6-89.5150.2000105.3I353I353-L355 HydrophobicContact CG2-CD1 4.43Å
356D32.3Very low35Very low143 Ų143147.3 Ų147.377%0.76576%0.761SS**  cis-134.91680.7-103.8-53.4000109
357I33.7Very low35.4Very low162 Ų162145.5 Ų145.583%0.83176%0.76SS**  trans-125.8109.8160.1-61.9178.9000108.9
358D36.2Very low35.4Very low158 Ų158144.6 Ų144.685%0.84576%0.755SS**  trans-149.4161.9152-100.1-35.2000109.1
359E41.2Very low35.5Very low179 Ų179145.4 Ų145.484%0.83676%0.756SS**  trans-39.8156.1-176-85.2177.8161.500117.8
360P45.1Very low35.7Very low124 Ų124141.2 Ų141.281%0.80575%0.752SS**  -154.2179.752.444.9-23.7000120.9
361D30.6Very low35.9Very low144 Ų144146.2 Ų146.277%0.7776%0.757SS**  trans-22.8157.6157.8-103.6-36.4000122.3
362E37.6Very low35.7Very low132 Ų132146.3 Ų146.362%0.61776%0.762SS**  trans77.5138.8139.9-79.2-166.2139.800125.3
363K37.2Very low35.9Very low155 Ų155147 Ų14767%0.67477%0.771SS**  trans65.9114.8140.5-70.7165.1-176.5147.60121.9
364N29.8Very low35.3Very low131 Ų131146.3 Ų146.370%0.70178%0.778SS**  -167.4158.8102.8-100.611.9000108.8
365E33.5Very low35Very low165 Ų165142.1 Ų142.177%0.77177%0.769SS**  cis-147.6162.2-8-124.9156.1156.700106.4
366G33.1Very low34.9Very low72 Ų72141.6 Ų141.674%0.74277%0.767SS**  61.4123.777.600000112.6
367S37.4Very low34.9Very low105 Ų105142.3 Ų142.373%0.73477%0.765SS**  cis-168.4-174.40.2-175.40000109.6
368D31.3Very low34.7Very low135 Ų135141.8 Ų141.872%0.72276%0.759SS**  trans84141.9153-77.943.3000121.7
369T38.2Very low34.4Very low120 Ų120142.8 Ų142.874%0.73676%0.756SS**  cis-162.9156.3-34.622.90000109.9
370D37Very low33.8Very low154 Ų154139.9 Ų139.982%0.82476%0.756SS**  trans-76.9156.4179-61.1-73.6000115.9
371R35.4Very low33Very low231 Ų231142.5 Ų142.587%0.87276%0.757SS**  174151.7125-95.8166.8170.3146-0111
372L32.4Very low32.8Very low156 Ų156140.3 Ų140.382%0.81775%0.753SS**  cis-130.2174.520.2-76.2171.2000114.3
373L38.3Very low32.3Very low161 Ų161140.7 Ų140.784%0.84376%0.759SS**  trans-80.1177.1-179.4-52.8168.3000111.9
374S26.4Very low32.1Very low116 Ų116140.7 Ų140.781%0.81177%0.766SS**  cis-154.7178.525.2-57.80000113.1
375S33.6Very low32.1Very low98 Ų98137.6 Ų137.669%0.68576%0.764SS**  trans-96.5161.8177.455.80000114.7
376D32.3Very low32.1Very low132 Ų132135.6 Ų135.671%0.70676%0.763SS**  170.8151.6114.7-87.9-0.5000116.5
377H33.2Very low32.4Very low158 Ų158140.1 Ų140.173%0.73176%0.762SS**  trans39.2117.6151-72.2-50.1000125.4
378Q29.3Very low32.3Very low151 Ų151141.1 Ų141.171%0.70676%0.76SS**  77.1127.6115.2-163.5-178.4116.800122.2
379K28.8Very low32.7Very low180 Ų180138.4 Ų138.478%0.78376%0.763SS**  trans51.1127.1158.3-74.2176.1175.9175.20118.2
380S29.5Very low32.9Very low117 Ų117139.9 Ų139.982%0.81877%0.766SS**  175.3177.477.646.20000111.9
381H28.4Very low33.4Very low180 Ų180137.5 Ų137.583%0.83376%0.762SS**  trans-78157.3176.2-60.4-110.9000112.3
382S26.8Very low33.7Very low97 Ų97129.5 Ų129.568%0.67875%0.752SS**  150.3160.8107.562.40000114.7
383N27.1Very low34.1Very low141 Ų141133.1 Ų133.175%0.75475%0.754SS**  trans70.6158.7160.4-65.2-59.8000119.3
384L33.2Very low34Very low155 Ų155130.7 Ų130.781%0.81275%0.746SS**  cis173.8129.7-38.7167.964.2000107.8
385G29.8Very low34.5Very low65 Ų65130 Ų13067%0.6774%0.742SS**  trans88.5-178.1156.800000117.4
386V33.3Very low34.6Very low124 Ų124130.3 Ų130.375%0.75274%0.743SS**  cis-162.9144.3-4.599.50000111.8
387K38.7Very low34.7Very low166 Ų166134 Ų13472%0.72275%0.748SS**  trans60.8174158-72.3-171.8163.2-79.10118.7
388D35.5Very low34.7Very low127 Ų127134.2 Ų134.268%0.67975%0.749SS**  cis-165.5155.4-42.1-101.5-12000108.8
389G40.3Very low35.7Very low77 Ų77131.3 Ų131.379%0.79474%0.744SS**  trans76.8170.5149.300000117.7
390D40.8Very low36Very low151 Ų151129.1 Ų129.181%0.80774%0.74SS**  cis-159.1168.5-11.9179.745.1000110
391S48.8Very low36.2Very low104 Ų104129.5 Ų129.573%0.72773%0.732SS**  trans70.5131.2166.9-71.50000117.6
392G42.2Very low36.4Very low64 Ų64127.7 Ų127.766%0.6673%0.728SS**  cis141.7167.1-11.200000114.4
393R39.8Very low36.7Very low231 Ų231130.2 Ų130.287%0.87273%0.729SS**  trans73147.3168.7-38.8172.971.6108.61.1114.5
394T35.7Very low37Very low110 Ų110128.4 Ų128.468%0.67572%0.723SS**  cis-163.2154.1-3.3-0.70000111.5
395S37.8Very low36.8Very low102 Ų102127.7 Ų127.771%0.71372%0.72SS**  trans60.7148.1144.462.40000121.6
396C36.1Very low36.8Very low104 Ų104133.3 Ų133.370%0.70373%0.726SS**  cis-171.7156.5-7.4-107.90000113
397Y32.9Very low36.7Very low211 Ų211134 Ų13483%0.82773%0.726SS**  trans58.8109.8149.2-79.3-69.5000123
398E35.1Very low36.3Very low161 Ų161130.1 Ų130.175%0.75273%0.725SS**  12.916299.8-112.856.9-132.800119.5
399P49.2Very low36Very low90 Ų90130.5 Ų130.558%0.58473%0.727SS**  cis-147-165.89.141.5-19000117.7
400D35.1Very low35.6Very low134 Ų134132.9 Ų132.972%0.71772%0.721SS**  trans76.1148141-75-6.1000121.7
401I34.9Very low35.3Very low125 Ų125132.1 Ų132.164%0.64172%0.716SS**  cis-167145.2-17.6-123.3174.6000111.7
402L32.1Very low34.6Very low142 Ų142135.3 Ų135.374%0.74372%0.719SS**  trans50.7177.1152.4-59.8175.4000121.4
403E33Very low34.1Very low151 Ų151141 Ų14171%0.70673%0.728SS**  cis-162.9166.33.9-138.9-176.8-114.900112.6
404T33Very low33.8Very low102 Ų102132.4 Ų132.463%0.62671%0.711SS**  trans67.8145.4139.2-65.30000120.1
405D29.4Very low33.6Very low141 Ų141133.6 Ų133.675%0.75472%0.719SS**  cis-153.8-167.414.7-142.9-20.4000117.1
406F30.2Very low33.7Very low182 Ų182133 Ų13380%0.79871%0.714SS**  trans-92.7145.3-165.3-89.6-118.9000121
407N29.9Very low33.7Very low139 Ų139135.9 Ų135.974%0.74372%0.718SS**  54.8125.5120-1426000125.6
408A30.6Very low33.8Very low85 Ų85131.7 Ų131.770%0.70271%0.714SS**  trans-179138.914600000110.8
409N30.1Very low33.3Very low134 Ų134128.4 Ų128.472%0.71771%0.714SS**  71.8136.851.3-73.5-18.6000114.5
410N30.8Very low32.3Very low127 Ų127132.1 Ų132.168%0.67972%0.724SS**  cis-168.5169.50.7-134.5-22.6000113.6
411I34.6Very low32.7Very low136 Ų136130.9 Ų130.970%0.69772%0.723SS**  trans64.3119.4148.8-72.7163.2000119.5
412H34.1Very low32.4Very low171 Ų171131.1 Ų131.179%0.79272%0.722SS**  79.6157.781.6-117.4-10.6000114.1
413E31.8Very low32.2Very low183 Ų183133.5 Ų133.586%0.85572%0.721SS**  cis-156.3154.537.6180169.8-174.600115
414G33.4Very low32.1Very low50 Ų50133.4 Ų133.452%0.51572%0.724SS.*  trans142.2-177.3154.100000115.3
415T31.7Very low31.7Very low136 Ų136138.3 Ų138.383%0.83474%0.737SS**  cis158.6134.1-20.3-83.60000106.1
416S39.4Very low31.5Very low88 Ų88135 Ų13562%0.61574%0.736SS**  cis-175.9159.4-18.2-103.50000105.7
417E36.3Very low31.5Very low165 Ų165135.7 Ų135.777%0.77174%0.742SS**  cis-170.1-178.9-3.4-123.1171100.600107.7
418V35.6Very low31.3Very low123 Ų123133.3 Ų133.375%0.74574%0.741SS**  cis-154.3151-4.957.10000108
419A25.2Very low31.2Very low92 Ų92136.3 Ų136.376%0.7675%0.745SS**  trans-157.8128.3165.400000113.8
420Q27.7Very low31.2Very low168 Ų168136.3 Ų136.379%0.78575%0.745SS**  trans-170.1168.1163.7-118-175.663.400110.6
421P42.8Very low31.1Very low108 Ų108137.6 Ų137.670%0.70175%0.751SS**  cis-137.4-17047.244.6-26.2000113.1
422Q28Very low30.7Very low131 Ų131136.8 Ų136.861%0.61276%0.756SS**  cis-171.8163.3-26.2-104.7-173.296.800107.3
423R28.8Very low30.5Very low191 Ų191136.3 Ų136.372%0.72176%0.758SS**  cis-158.5152.7-13.1-146.4-173.9-177.3117.4-5.8109.2
424L30.4Very low30.4Very low150 Ų150133.6 Ų133.679%0.78575%0.75SS**  trans28.8140.7148.6-74.6167.4000124
425K24Very low30.3Very low204 Ų204137.2 Ų137.289%0.88775%0.753SS**  trans-135.2147138.5-168.4175.6-179.1-175.80109.8
426G26.1Very low30.3Very low71 Ų71138.4 Ų138.473%0.73275%0.747SS**  trans-110.3-164-178.900000115
427E29.3Very low29.8Very low198 Ų198140.6 Ų140.693%0.92575%0.751SS**  trans-115.2-179.4-154.8-170168.4-173.500114.3
428A27.7Very low29.5Very low88 Ų88139.4 Ų139.473%0.72775%0.746SS**  trans97.9109.5162.600000120.7
429D26.8Very low29.2Very low148 Ų148139.1 Ų139.179%0.79174%0.74SS**  68.4142.4125.9-97.9-17.9000128
430L30.5Very low29.2Very low135 Ų135143.6 Ų143.671%0.70774%0.743SS**  trans58.8111.1146.7-65.5168.7000124.4
431L29.2Very low29.5Very low153 Ų153139.6 Ų139.680%0.80173%0.733SS**  trans29.6124.8130-56.6176000121.8
432C25.4Very low29.4Very low120 Ų120140.1 Ų140.181%0.81174%0.737SS**  178.9129.4111-93.20000117.3
433L29.9Very low29.4Very low161 Ų161143 Ų14384%0.84374%0.743SS**  trans28.4121140.2-64.2170.1000125
434D29.5Very low29.6Very low126 Ų126141.1 Ų141.167%0.67474%0.742SS**  70.8119.9115.8-160.737000123.5
435Q32.9Very low29.3Very low125 Ų125140.6 Ų140.658%0.58474%0.74SS**  153.5124.499.2-157.7168.4121.900117.2
436K30.9Very low29.4Very low162 Ų162134.5 Ų134.570%0.70473%0.728SS**  trans63.6161.5157.3-81171.8-1711470117.9
437N29.5Very low29.3Very low133 Ų133137.3 Ų137.371%0.71174%0.735SS**  cis-163.9163.18.2-124.7-10.8000108.4
438Q29.7Very low30.1Very low140 Ų140133.5 Ų133.565%0.65473%0.727SS**  cis-150.5169.8-2-42.8175.332.500109.5
439N27.9Very low30Very low117 Ų117133.8 Ų133.863%0.62673%0.73SS**  trans63.4147.9145.8-62.6-24.7000121
440K25.3Very low30Very low187 Ų187133.7 Ų133.781%0.81374%0.735SS**  cis-161.6153.8-11.4-118.4175.2-175.8-177.40110.8
441S34.8Very low29.8Very low84 Ų84136.1 Ų136.159%0.58774%0.743SS**  trans-109.9172160.161.70000111.3
442P41.3Very low29.6Very low119 Ų119137.2 Ų137.277%0.77374%0.744SS**  -137.4162.5103.335.4-20.1000113.2
443Y28.6Very low29.5Very low190 Ų190136.5 Ų136.575%0.74574%0.74SS**  cis72.4147.940-81.1-68000114.5
444H31.5Very low29.4Very low152 Ų152133.8 Ų133.870%0.70474%0.735SS**  cis-133.3-163.66.7-108.6-85.6000108.6
445D24.3Very low29.2Very low139 Ų139133.7 Ų133.774%0.74374%0.738SS**  cis-167.7-168.71.2-117.7-12.8000108
446A25.8Very low29Very low77 Ų77134.5 Ų134.564%0.63675%0.745SS**  -167.3132.6-67.100000115
447C25.3Very low28.6Very low130 Ų130135.3 Ų135.388%0.87875%0.752SS**  trans59.1175.4154.9-90.40000120.8
448P44.4Very low28.3Very low117 Ų117133.1 Ų133.176%0.7675%0.752SS**  cis-135.8160.74.341.4-23.8000119.8
449A26.4Very low28.1Very low95 Ų95135 Ų13579%0.78576%0.761SS**  trans42141.3138.600000126.6
450T26.1Very low28.1Very low146 Ų146138.2 Ų138.290%0.89677%0.769SS**  trans-164160133.3-72.60000110.5
451Q27Very low28Very low185 Ų185136.3 Ų136.386%0.86477%0.768SS**  trans-84.3176.6-174.8-60.2174-70.500112.8
452Q26.1Very low27.6Very low176 Ų176139.6 Ų139.682%0.82277%0.772SS**  179.9148.758.3-176175.64.900114
453S22.9Very low27Very low106 Ų106140 Ų14074%0.74177%0.774SS**  trans63157.1162.7-76.70000119.8
454S28Very low26.9Very low104 Ų104136.5 Ų136.573%0.72776%0.764SS**  cis-177.3154.8-22.452.20000111.3
455V25.4Very low26.8Very low123 Ų123135.3 Ų135.375%0.74577%0.77SS**  cis-171.7142.6-32.484.60000109.4
456I27.5Very low26.9Very low143 Ų143134.3 Ų134.373%0.73376%0.764SS**  trans67.8147.4163.6-70.8162.6000116.2
457Q22.9Very low27.1Very low179 Ų179136.3 Ų136.384%0.83677%0.771SS**  cis-138.5170.216-154.6146.3-3.600113.3
458A23.6Very low27Very low87 Ų87134.7 Ų134.772%0.71976%0.757SS**  trans-137153.2166.700000110.2
459E24.2Very low26Very low179 Ų179136.5 Ų136.584%0.83676%0.76SS**  trans-154.3168.9142-131.4-172.211000112.7
460K27.6Very low25.8Very low185 Ų185134.9 Ų134.980%0.80475%0.753SS**  trans-143.5126.2-168.3157.7-157.2169.7-174.60107
461N23.7Very low25.8Very low147 Ų147132.3 Ų132.379%0.78675%0.746SS**  trans-157.4144.6157.7-98.5-48.6000113.2
462K26.8Very low25.7Very low153 Ų153132.5 Ų132.567%0.66575%0.747SS**  trans-138.9132.2168.9178.3-171.9176.4-1750107.2Q464K462-Q464 VanDerWaalsContact CE-OE1 3.25Å
463P29.4Very low25.5Very low127 Ų127128.5 Ų128.583%0.82574%0.739SS**  trans-123170.91320.421.1000112.1
464Q26.5Very low25.5Very low116 Ų116128.1 Ų128.154%0.54273%0.732SS.*  trans-148.1144.5179.7175.2-179.12.300108.5K462K462-Q464 VanDerWaalsContact CE-OE1 3.25Å
465P28.7Very low25.4Very low127 Ų127130.7 Ų130.783%0.82573%0.732SS**  trans-124.3167.5138.32.719.3000112.5
466L26.6Very low25.2Very low118 Ų118132.2 Ų132.262%0.61873%0.731SS**  trans-111.3166.9175.7-137.276.3000110.3
467P29.9Very low24.9Very low119 Ų119129.8 Ų129.877%0.77373%0.733SS**  -122.5147.697-1.323.1000112.3
468T22.5Very low24.9Very low97 Ų97125.6 Ų125.660%0.59573%0.729SS**  cis73.3120.646.5-57.30000110.5
469D23.3Very low24.9Very low154 Ų154130 Ų13082%0.82473%0.734SS**  cis-150.6-177.9-2.2-99.3-7.3000106.5
470G23Very low24.9Very low62 Ų62128.5 Ų128.564%0.63973%0.73SS**  cis144.5178.313.300000108.5
471A25.4Very low24.6Very low91 Ų91127.4 Ų127.475%0.75273%0.728SS**  trans68.1125.1-174.400000115.3
472E25Very low24.6Very low190 Ų190127.6 Ų127.689%0.88873%0.728SS**  cis91.614946.6-77.9-178153.100113.2
473S22.7Very low24.3Very low91 Ų91125.6 Ų125.664%0.63673%0.733SS**  cis-163158.3-12.4176.80000110.6
474T22.4Very low24.1Very low99 Ų99126.9 Ų126.961%0.60773%0.733SS**  trans1.7132.5148.2-20.50000117.5
475H25.6Very low24.9Very low157 Ų157126.2 Ų126.273%0.72774%0.739SS**  -176.6178.974.4-80.9-82.4000109
476Q21.7Very low25Very low156 Ų156125.4 Ų125.473%0.72974%0.736SS**  cis161.2125.5-31.9-177.8176.8-2.700107.3
477A21.9Very low25.1Very low92 Ų92125.1 Ų125.176%0.7674%0.744SS**  trans70.6123.3159.300000123.9
478A22.3Very low25.2Very low91 Ų91127.5 Ų127.575%0.75275%0.75SS**  81.4149.812800000124.3
479H24.1Very low25.4Very low180 Ų180126.7 Ų126.783%0.83375%0.752SS**  trans-6.3149.5164.9-62.6-97.1000120.2
480I23Very low25.8Very low147 Ų147126.5 Ų126.575%0.75475%0.751SS**  -169128.171.7-81.3178000107.4
481Q21.7Very low26.3Very low161 Ų161130.6 Ų130.675%0.75276%0.757SS**  78.2123.983.1-142.7-167.1-11.300118.4
482L23.4Very low26.6Very low152 Ų152133.7 Ų133.780%0.79676%0.761SS**  trans65.8115.5151.5-118.476.5000124.1
483S22.4Very low26.8Very low111 Ų111133 Ų13378%0.77676%0.756SS**  169.8122.811143.80000111.5
484N24.8Very low27.2Very low154 Ų154137.5 Ų137.582%0.82476%0.76SS**  80.614672.6-139.719.9000113.1
485P43.8Very low27.9Very low102 Ų102137.5 Ų137.566%0.66277%0.77SS**  cis-139.3-172.34.845-26.7000117.9
486S29.2Very low28.4Very low109 Ų109138.2 Ų138.276%0.76277%0.774SS**  trans81145.2162.278.20000119.3
487S28.8Very low29.1Very low113 Ų113136.5 Ų136.579%0.7977%0.774SS**  cis-170.1138.3-25.848.30000111.6
488L31.6Very low29.6Very low169 Ų169137.6 Ų137.689%0.88578%0.776SS**  trans165130.7134.9-167.368.3000112.5
489A28.7Very low30.1Very low79 Ų79140.5 Ų140.565%0.65378%0.778SS**  trans41.1113.2158.100000120.8
490N29.7Very low30.7Very low150 Ų150139.3 Ų139.380%0.80278%0.777SS**  68.8132.684.4-86.810.4000114.9
491I34.3Very low31.5Very low149 Ų149137.1 Ų137.176%0.76477%0.77SS**  cis-156.1149.60.620.6175.5000109.6
492D32.2Very low32.4Very low156 Ų156136.3 Ų136.383%0.83478%0.779SS**  trans-121.8145.6165.1-103.2-40.9000109.7
493F29.6Very low33.6Very low176 Ų176133.4 Ų133.477%0.77278%0.777SS**  trans-162.4135.4157.2-113.7-64.5000114.6
494Y30.4Very low34.8Very low184 Ų184131.3 Ų131.372%0.72277%0.773SS**  trans58.794.2170.7-71.7-64.5000119.1
495A36.7Very low35.3Very low99 Ų99128.8 Ų128.882%0.81877%0.767SS**  trans-59.8147.3134.600000110.4
496Q36.5Very low35Very low173 Ų173130.2 Ų130.281%0.80877%0.774SS**  trans-132.3147.4162.6-67.6-168.422.800109.6
497V35.8Very low35.3Very low120 Ų120130.8 Ų130.873%0.72777%0.773SS**  trans-91.2164.2-173.6-170.50000109.6
498S32Very low35.4Very low115 Ų115133.2 Ų133.280%0.80478%0.776SS**  trans-141.7105.9163.7-68.10000109.6
499D32.8Very low35.4Very low151 Ų151130.4 Ų130.481%0.80777%0.77SS**PPolyproline II helixtrans-74.8149175.3-67.2-58.3000111.5
500I36.7Very low35.7Very low155 Ų155132.7 Ų132.780%0.79578%0.779SS**PPolyproline II helixtrans-91.7123.6-176.8-63.3169.1000109.5
501T41.6Very low35.8Very low101 Ų101129 Ų12962%0.6278%0.775SS**PPolyproline II helixtrans-80.4152.8166.856.20000110.8A503 G504T501-A503 PolarHBondContact O-N 2.84Å; T501-G504 PolarHBondContact O-N 3.45Å
502P40.1Very low35.7Very low144 Ų144130.9 Ų130.994%0.93578%0.781SS**THydrogen-bonded Turntrans-676.9-165.4-23.135.4000117.5
503A49.3Very low35.6Very low92 Ų92132.8 Ų132.876%0.7678%0.782SS**THydrogen-bonded Turntrans-115.33.4-177.700000114.4T501 S505T501-A503 PolarHBondContact O-N 2.84Å; A503-S505 PolarHBondContact O-N 3.19Å
504G46.6Very low35.6Very low66 Ų66131.8 Ų131.868%0.6879%0.785SS**  trans63.932.1157.200000118.1T501T501-G504 PolarHBondContact O-N 3.45Å
505S34.8Very low35.6Very low101 Ų101132.7 Ų132.771%0.70679%0.792SS**  trans-113134.3175.5-172.60000111.8A503A503-S505 PolarHBondContact O-N 3.19Å
506V37.9Very low35.1Very low132 Ų132132.7 Ų132.780%0.879%0.792SS**  trans-109.8127.3-179.7179.10000109.5
507V36.3Very low34.6Very low122 Ų122128.2 Ų128.274%0.73979%0.793SS**  trans-123.4129.7179.3-178.30000109.5
508L30.8Very low34.1Very low163 Ų163131.6 Ų131.685%0.85380%0.803SS**  trans-110.2118.5174.7-64.5177.4000110
509S30.4Very low33.8Very low110 Ų110132.5 Ų132.577%0.76981%0.809SS**PPolyproline II helixtrans-83.9138.3178.7-65.20000112
510P34.8Very low33.4Very low128 Ų128133.8 Ų133.883%0.83181%0.81SS**PPolyproline II helixtrans-65.4142-179.7-23.134.4000114.3Q512P510-Q512 PolarHBondContact O-N 3.12Å
511G31.5Very low32.7Very low71 Ų71131.1 Ų131.173%0.73280%0.804SS**PPolyproline II helixtrans-71125.3-179.400000114.2
512Q32.6Very low31.9Very low190 Ų190133.2 Ų133.289%0.88881%0.812SS**PPolyproline II helixtrans-81.1147.5179.6-165172.66.800112.3P510P510-Q512 PolarHBondContact O-N 3.12Å
513K31.3Very low31.1Very low196 Ų196134.1 Ų134.185%0.85281%0.805SS**  trans-116.2149178.9-59.7178.4-173.3175.80110.2
514N28.7Very low29.9Very low155 Ų155135.7 Ų135.783%0.82980%0.797SS**  trans-92156.9-159.8-84.5-53.4000116.1
515K30Very low28.7Very low203 Ų203139.7 Ų139.788%0.88380%0.802SS**  trans71.4149.1161-75.4175.6177.8178.20116.7
516A27.2Very low28.3Very low99 Ų99141.1 Ų141.182%0.81880%0.797SS**  cis-162.2168.6-7.900000110.8
517G25.8Very low27.7Very low79 Ų79142.2 Ų142.281%0.81480%0.796SS**  trans145.5141.116200000114.9
518M25.7Very low27.2Very low191 Ų191142.5 Ų142.594%0.94180%0.797SS**  trans-130.5130.1172.4-68.4164.255.900109.7
519S25.1Very low26.9Very low133 Ų133139.3 Ų139.393%0.9379%0.788SS**  trans-168.6175.6153.356.20000110.5
520Q24.1Very low26.6Very low178 Ų178141.2 Ų141.283%0.83279%0.789SS**  trans-134.9163.2-159.9-165.4-172.1-29.800112
521C22.7Very low26Very low100 Ų100139.4 Ų139.468%0.67678%0.778SS**  trans74.9156.5172.4-59.20000115.7
522D23.4Very low25.7Very low145 Ų145144 Ų14478%0.77578%0.781SS**  cis-147176.417.4-140.9-23.3000115.9
523M23.8Very low25.3Very low163 Ų163143 Ų14380%0.80378%0.776SS**  trans-67.5173.5177.9-81.2172.353.600115.7
524H23.8Very low24.9Very low125 Ų125139.4 Ų139.458%0.57977%0.766SS**  cis179.7134.7-18.9165.5-82.1000110.8E526H524-E526 IonicContact CE1-OE2 3.4Å; H524-E526 PolarHBondContact CE1-OE2 2.95Å
525L22.8Very low24.6Very low150 Ų150141.7 Ų141.779%0.78577%0.769SS**  trans-174.3119148.5-132.366000107.4
526E25.8Very low24.3Very low130 Ų130138.4 Ų138.461%0.60776%0.76SS**  48.9133.175.2-80.5-167.7125.800114.6H524H524-E526 IonicContact CE1-OE2 3.4Å; H524-E526 PolarHBondContact CE1-OE2 2.95Å
527M24.9Very low24.2Very low156 Ų156141.6 Ų141.677%0.76876%0.76SS**  cis-138.9161.89.9-117.9-172.5-17700108.6
528V25.3Very low24.2Very low127 Ų127144 Ų14477%0.7775%0.754SS**SBendcis-134.3151.531.5174.40000111.3
529S25.2Very low24.1Very low96 Ų96141.9 Ų141.967%0.67175%0.747SS**  trans-37.3132.9175.8-160.70000114.3
530L23.7Very low24.3Very low151 Ų151140.4 Ų140.479%0.79174%0.743SS**  48.9145.269.4-91.178.5000112.4
531C22.9Very low24.4Very low89 Ų89141.9 Ų141.960%0.60174%0.742SS**  cis174.2149.3-13.3-1090000103.2
532Q24.7Very low24.6Very low168 Ų168145.6 Ų145.679%0.78575%0.747SS**  68.7170.870.2-160.1167.6-21.700112.7
533E24.1Very low24.7Very low168 Ų168144 Ų14479%0.78575%0.746SS**  trans78.2137.6-174.5-55.4179.5179.900114.6
534D22.4Very low24.8Very low121 Ų121145.4 Ų145.465%0.64775%0.751SS**  cis-165.9163.5-30.3-114.2-0.8000107.4
535F24.1Very low24.9Very low204 Ų204143.7 Ų143.790%0.89576%0.758SS**  -177.6119.3129.2-105.6-67.6000113.7
536I24Very low25.1Very low134 Ų134143.8 Ų143.869%0.68776%0.759SS**  trans-48.5141.2150.3-63.1151.8000108.3
537M24.9Very low25.2Very low165 Ų165140.6 Ų140.681%0.81376%0.756SS**  -166.5153.350.6-148.2150.659.800113.7
538D24.1Very low25.5Very low130 Ų130141.5 Ų141.570%0.69576%0.755SS**  trans9137150.5-83.424.7000124.7
539N25.2Very low25.6Very low147 Ų147144.7 Ų144.779%0.78676%0.758SS**  trans84.2156.8131.8-69.6-33.9000123.2
540A28.3Very low25.6Very low102 Ų102145.5 Ų145.584%0.84376%0.763SS**  trans89.4164.6171.800000118.6
541Y26.1Very low25.9Very low209 Ų209145.7 Ų145.782%0.8276%0.763SS**  trans-124.1159.4-155.1-105.6-97.9000113.6
542F26.8Very low26.1Very low177 Ų177147 Ų14778%0.77677%0.771SS**  trans70.4117.7156.3-76.6-60.7000122.5
543C26.9Very low26.3Very low113 Ų113145.6 Ų145.676%0.76477%0.773SS**  trans71.1131.7132-76.30000125.3
544E24.4Very low26.4Very low192 Ų192141.1 Ų141.190%0.89777%0.765SS**  trans80.3148.7138.3-155.5165.9-172.400121.2
545A27.3Very low26.8Very low89 Ų89140.9 Ų140.974%0.73677%0.77SS**  trans75.782.3164.300000121.7
546D26.1Very low26.9Very low151 Ų151139 Ų13981%0.80776%0.763SS**  83.3150.4114.4-158.228.9000122.7
547A28.9Very low27.1Very low64 Ų64139.5 Ų139.553%0.52977%0.766SS.*  trans72143.1160.400000120.6
548K30Very low27.1Very low175 Ų175139.6 Ų139.676%0.76176%0.762SS**  cis-166.8144.6-1.9-112.8163.6-160.3113.80112.8
549K27.5Very low27.3Very low193 Ų193138.6 Ų138.684%0.83976%0.76SS**  trans64.6158.3152.8-81.2-179.5173.2-176.70118.1
550C25.2Very low27.3Very low114 Ų114138.1 Ų138.177%0.7775%0.754SS**  cis-142.2171.515.6-127.20000113.4
551I29.2Very low27.2Very low155 Ų155139.1 Ų139.180%0.79575%0.754SS**  trans-122.9146.4-178.5-55.3162.9000110.2
552P28.5Very low27.2Very low117 Ų117137.2 Ų137.276%0.7675%0.753SS**  -141.4163.3129.938.7-27000113.4
553V28Very low27.3Very low138 Ų138137 Ų13784%0.83676%0.757SS**  cis-159.1156.9-22.7134.50000106.4
554A27Very low27.3Very low73 Ų73140.5 Ų140.560%0.60376%0.763SS**  trans-87.1178.3-173.700000115.7
555P29.7Very low27.9Very low116 Ų116136.2 Ų136.275%0.75375%0.752SS**  -118.1129.1119.133.7-31000111.1
556H26.3Very low28Very low164 Ų164137.4 Ų137.476%0.75976%0.755SS**  64.5128.978-68.2-54000113.5
557I29.7Very low28Very low145 Ų145138.8 Ų138.874%0.74475%0.754SS**  cis-167.6164.9-3.8-150.1-176.5000106.8
558K25.1Very low28Very low167 Ų167142.8 Ų142.873%0.72677%0.766SS**  cis-151.5-161.412.5-150.7-172.1173.9-172.10106
559V27.3Very low27.9Very low109 Ų109141.8 Ų141.866%0.66176%0.764SS**  cis-161.3164.66.5670000111.9
560E25.4Very low28.1Very low138 Ų138139.6 Ų139.665%0.64576%0.757SS**  trans-44.2138.9173.4-89.863.2-149.500118
561S25.4Very low28.4Very low123 Ų123140.2 Ų140.286%0.8675%0.753SS**  -156.5154.994.348.40000111.8
562H25.8Very low28.6Very low169 Ų169138.9 Ų138.978%0.78275%0.746SS**  trans-84.4146.5-170.9-70.9-106.6000113.9
563I29.4Very low28.6Very low171 Ų171143.7 Ų143.788%0.87775%0.75SS**  -173161.8116.2-92.6156.7000109.3
564E26.8Very low28.6Very low187 Ų187144 Ų14487%0.87475%0.746SS**  trans-96.9148.7-156.4-167.7170.8176.500115
565P37.9Very low28.6Very low103 Ų103145.4 Ų145.467%0.66975%0.747SS**  trans-126.9153-16941.9-28.7000118.3
566S28.3Very low28.6Very low114 Ų114144.8 Ų144.880%0.79774%0.741SS**  trans-175.2135.1140.421.50000108.5
567F26.9Very low28.8Very low179 Ų179144.7 Ų144.779%0.78574%0.741SS**  cis73.5130.638.4-79.5-73.2000114.4
568N28.2Very low28.6Very low148 Ų148142.4 Ų142.479%0.79174%0.738SS**  cis-136.8167.514.4-59.5-89000113
569Q27.2Very low28.6Very low154 Ų154141.7 Ų141.772%0.7274%0.741SS**  trans-147.4169.7169.4-163.7166.6-63.400109.8
570E32.6Very low28.5Very low147 Ų147141.8 Ų141.869%0.68774%0.742SS**  trans66.6165.5167-72.3114.9-158.600119.9
571D32.2Very low28.4Very low128 Ų128141.2 Ų141.268%0.68475%0.748SS**  -167.6166.3-57.1-118.4-46.6000113.1
572I33Very low28.4Very low127 Ų127142.4 Ų142.465%0.65175%0.751SS**  trans-21.4146.1156.7-63.9156.4000116.8
573Y27.8Very low28.4Very low218 Ų218139.2 Ų139.286%0.85575%0.754SS**  trans-176.4168.9130.1-97.7-58.1000115.5
574I28.4Very low28.2Very low143 Ų143135 Ų13573%0.73375%0.752SS**  trans-152.6173.8-17546.8169.5000108.1
575T27.7Very low28.3Very low103 Ų103136.7 Ų136.763%0.63275%0.75SS**  cis-161.2154.627-25.20000112.3
576T28.4Very low28.3Very low104 Ų104137.8 Ų137.864%0.63876%0.757SS**  trans54.3151.4146.840.70000126.1
577E30.5Very low28.2Very low162 Ų162134.7 Ų134.776%0.75774%0.743SS**  trans79.5147.413475-149.9109.300127
578S26.3Very low28.1Very low96 Ų96131.9 Ų131.967%0.67174%0.741SS**  trans92.494.5149.5-60.80000124.1
579L25.5Very low28.1Very low153 Ų153130.7 Ų130.780%0.80174%0.739SS**  62.4119.4118.9-72.4167.9000125
580T24.4Very low28.1Very low110 Ų110131 Ų13168%0.67574%0.741SS**  trans70.9118.7135.648.60000125
581T24.1Very low27.7Very low126 Ų126132 Ų13277%0.77375%0.745SS**  trans57.1127.3134.761.30000123.1
582T25.2Very low27.6Very low148 Ų148133.2 Ų133.291%0.90875%0.75SS**  -156.8153.4129.3-77.40000109.1
583A25Very low27.9Very low103 Ų103133.1 Ų133.185%0.85176%0.758SS**  trans-99.4167.6-170.400000114.5
584G26.8Very low27.7Very low81 Ų81126.4 Ų126.484%0.83576%0.755SS**  trans-178.987.7170.700000117
585R28.3Very low27.6Very low223 Ų223125.6 Ų125.684%0.84276%0.762SS**  trans-160.9135.4157.7-176.9174.3175.6179.9-1.7112.6
586P36.8Very low27.5Very low126 Ų126129 Ų12982%0.81877%0.771SS**  trans-122.5170.515637.1-25.2000113.1
587G26.4Very low27.6Very low49 Ų49132.6 Ų132.651%0.50578%0.782SS.*  trans98.5128.9166.700000117.5
588T26.1Very low28Very low121 Ų121130.3 Ų130.374%0.74278%0.781SS**  -175.4132.5-60.1-750000108.2
589T27.3Very low28.5Very low122 Ų122131.7 Ų131.775%0.74879%0.786SS**  trans60.3155.2171.247.20000117.8
590E26.5Very low28.8Very low160 Ų160129.6 Ų129.675%0.74878%0.781SS**  cis-155.7170.74.3-136.9163.5-143.700113.6
591H26Very low29Very low169 Ų169131.4 Ų131.478%0.78279%0.787SS**  trans73.1147.8159.3-92.1-79.3000123.6
592I29Very low29.2Very low153 Ų153136.3 Ų136.379%0.78579%0.793SS**  trans-148.5138.5-176.5-75.4176.2000104.6
593P38.9Very low29.6Very low126 Ų126135.3 Ų135.382%0.81879%0.787SS**  -158.1162.47341.3-19.9000120.6
594G24.1Very low29.8Very low76 Ų76136 Ų13678%0.78479%0.785SS**  114.214612900000121.5
595S25.6Very low30Very low127 Ų127139.6 Ų139.689%0.88878%0.784SS**  trans88.6146.7160.2-1490000120.5
596E27.3Very low30.1Very low175 Ų175136.6 Ų136.682%0.81878%0.779SS**  trans-99.9157.5-161-58.3154.796.400115.3
597M30Very low29.8Very low178 Ų178138.4 Ų138.488%0.87778%0.78SS**  trans39.8168.2137.5-86.8-169.615500122.8
598P39.5Very low30.1Very low114 Ų114141.3 Ų141.374%0.7479%0.788SS**  cis-125.8177.39.241.9-27000116.5
599V36.4Very low30.3Very low125 Ų125144.8 Ų144.876%0.75880%0.795SS**  trans-118137165.6177.10000107.7
600P31.9Very low30.5Very low110 Ų110143.6 Ų143.671%0.71479%0.792SS**  trans-87.3140-178.433.3-34000113.4
601D27.7Very low31.3Very low148 Ų148140.4 Ų140.479%0.79179%0.786SS**  trans-75.1153.6173.8-57.5-74.1000113.3
602Y29.5Very low31.8Very low228 Ų228141.4 Ų141.489%0.89479%0.79SS**  trans-136.8121.9154.4-90.1-76000111
603T32.6Very low31.9Very low128 Ų128137.6 Ų137.679%0.78579%0.789SS**  trans-84.7143.6177.850.40000112.2
604S29.6Very low31.4Very low117 Ų117139.6 Ų139.682%0.81879%0.792SS**  trans-120.4147.2161.259.90000110.1
605I30.3Very low31.8Very low157 Ų157143.8 Ų143.881%0.80580%0.795SS**  trans-106.8131-166.6-61.3174.4000110.4
606H31.3Very low32Very low159 Ų159145 Ų14574%0.73679%0.791SS**  trans-73145.1172.4-87.9-109.4000112.3
607I29.7Very low32Very low164 Ų164143.3 Ų143.384%0.84179%0.787SS**  trans-119.9112.7149.9-61.6179.2000107
608V33.7Very low32.1Very low110 Ų110139.4 Ų139.467%0.66778%0.783SS**  trans-130.3117.4171.8177.90000106.8
609Q29.1Very low31.6Very low194 Ų194139.5 Ų139.591%0.90778%0.782SS**  trans-98.896-179.9-174.5169.9-16.400109.8
610S32Very low31.5Very low97 Ų97137.9 Ų137.968%0.67878%0.781SS**  trans-137.9119.2175.7177.20000109.5
611P43Very low31.4Very low94 Ų94140.8 Ų140.861%0.6179%0.79SS**  trans-84.6164.1166.135.4-32.8000110.9
612Q36.2Very low31.7Very low189 Ų189139.5 Ų139.588%0.88379%0.79SS**SBendtrans84.7139.6179.6-54.613824.800114.2
613G30.9Very low31.7Very low73 Ų73136.8 Ų136.875%0.75379%0.79SS**PPolyproline II helixtrans-102.8155.3-156.400000115.6
614L28.1Very low31.8Very low169 Ų169136.9 Ų136.989%0.88579%0.793SS**PPolyproline II helixtrans-72.9122.2173.9-80162.5000111.6
615I32.9Very low32Very low163 Ų163134.6 Ų134.684%0.83679%0.788SS**PPolyproline II helixtrans-82.8120.2163.3-61.5174.1000107.6
616L30.7Very low32Very low154 Ų154135.9 Ų135.981%0.80679%0.788SS**PPolyproline II helixtrans-85.1117.5177.3-68.9174.5000110.8A618L616-A618 PolarHBondContact O-N 2.64Å
617N26.7Very low32.2Very low138 Ų138137.3 Ų137.374%0.73880%0.795SS**  trans-75.6110.8171.6175.88.3000110.5T619N617-T619 PolarHBondContact ND2-OG1 3.27Å; N617-T619 PolarHBondContact O-N 3.26Å; N617-T619 PolarHBondContact OD1-N 3.49Å; N617-T619 PolarHBondContact OD1-OG1 2.64Å
618A31.6Very low32.3Very low96 Ų96137.7 Ų137.779%0.79379%0.791SS**  trans-94.169.2177.200000112.3L616 A620L616-A618 PolarHBondContact O-N 2.64Å; A618-A620 PolarHBondContact O-N 3.24Å; A618-A620 VanDerWaalsContact O-N 3.12Å
619T30.5Very low32.6Very low117 Ų117141 Ų14172%0.71880%0.803SS**  trans-80.986.8174-51.30000111N617N617-T619 PolarHBondContact ND2-OG1 3.27Å; N617-T619 PolarHBondContact O-N 3.26Å; N617-T619 PolarHBondContact OD1-N 3.49Å; N617-T619 PolarHBondContact OD1-OG1 2.64Å
620A32.7Very low32.8Very low91 Ų91137.2 Ų137.275%0.75280%0.799SS**PPolyproline II helixtrans-100.4137170.500000111.1A618A618-A620 PolarHBondContact O-N 3.24Å; A618-A620 VanDerWaalsContact O-N 3.12Å
621L30.9Very low32.8Very low170 Ų170138 Ų13889%0.8980%0.804SS**PPolyproline II helixtrans-68.5135.7-177.3-73.1163.8000111.9
622P33.5Very low32.4Very low122 Ų122139.5 Ų139.579%0.79282%0.815SS**PPolyproline II helixtrans-78.6126.1-176.730.2-34.3000112.8
623L29.4Very low32.3Very low170 Ų170133.3 Ų133.389%0.8980%0.803SS**  trans-106.5131.1158.8-94.3157.5000108.1
624P34.9Very low32.6Very low130 Ų130141 Ų14184%0.84481%0.81SS**  trans-80.4145.6-167.631.5-35.3000112.9
625G34Very low33.1Very low70 Ų70138.4 Ų138.472%0.72280%0.801SS**  trans117.949.116000000117.9
626K30.8Very low33.5Very low184 Ų184133.9 Ų133.980%0.878%0.784SS**  trans-164.4131.8146.7-109.2153.2-1721740112.1F628K626-F628 HydrophobicContact CB-CD2 4.41Å; K626-F628 HydrophobicContact CB-CE2 3.98Å
627E34.4Very low34.1Very low189 Ų189131.7 Ų131.788%0.88378%0.777SS**  trans-79.6140.1171-62.3172.3160.800109.7
628F31.9Very low34.9Very low172 Ų172130.9 Ų130.975%0.75477%0.773SS**  trans-134.5116.7169.7-80.3-78.4000110K626 S630K626-F628 HydrophobicContact CB-CD2 4.41Å; K626-F628 HydrophobicContact CB-CE2 3.98Å; F628-S630 PolarHBondContact O-N 2.88Å
629L40.6Very low35.5Very low178 Ų178132 Ų13293%0.93276%0.762SS**  trans-82.3102173.4-67.4168.6000109.1S631L629-S631 PolarHBondContact O-N 2.79Å
630S32.5Very low36.2Very low116 Ų116132.5 Ų132.581%0.81176%0.759SS**  trans-87.395.1179.9-66.20000111.9F628F628-S630 PolarHBondContact O-N 2.88Å
631S32.1Very low36.6Very low114 Ų114135.2 Ų135.280%0.79776%0.761SS**  trans-66.8146.4162.1-177.80000110.5L629L629-S631 PolarHBondContact O-N 2.79Å
632C35Very low37.2Very low124 Ų124135.7 Ų135.784%0.83876%0.756SS**  trans-64.1141.5173-1710000111.2
633G33.2Very low37.7Very low60 Ų60136.6 Ų136.662%0.61975%0.753SS**  trans-168.3134176.500000111.4
634Y37.2Very low37.8Very low234 Ų234136.8 Ų136.892%0.91875%0.751SS**PPolyproline II helixtrans-75.4138.6-179.5-76.4-97.7000111.7
635V39.5Very low38.2Very low115 Ų115140.2 Ų140.270%0.69777%0.774SS**PPolyproline II helixtrans-89.3130.8172.9179.50000109.4Q639V635-Q639 HydrophobicContact CG1-CB 3.88Å; V635-Q639 HydrophobicContact CG1-CG 4.34Å
636S42.1Very low38.4Very low68 Ų68143.8 Ų143.848%0.47678%0.776SS.*PPolyproline II helixtrans-81.8158.4175.173.80000112.4D638 Q639S636-D638 PolarHBondContact O-N 3.01Å; S636-D638 VanDerWaalsContact O-N 3.09Å; S636-Q639 PolarHBondContact O-N 3.38Å
637T43Very low38.8Very low107 Ų107141.6 Ų141.666%0.65678%0.775SS**G310 helixtrans-53-30.7-178.943.80000114.2Q639 L640T637-Q639 VanDerWaalsContact C-N 3.25Å; T637-Q639 PolarHBondContact O-N 3.4Å; T637-L640 WeakPolarHBondContact O-CB 3.36Å; T637-L640 PolarHBondContact O-N 3.31Å; T637-L640 VanDerWaalsContact O-N 3.08Å
638D42.3Very low39Very low121 Ų121139 Ų13965%0.64777%0.769SS**G310 helixtrans-73.9-17.1-171.7-46.2-39000113.1S636S636-D638 PolarHBondContact O-N 3.01Å; S636-D638 VanDerWaalsContact O-N 3.09Å
639Q45.8Very low39.4Very low120 Ų120137.1 Ų137.156%0.56177%0.77SS**G310 helixtrans-81-21.5171.8-66.2-68.9-7.700112.5V635 S636 T637V635-Q639 HydrophobicContact CG1-CB 3.88Å; V635-Q639 HydrophobicContact CG1-CG 4.34Å; S636-Q639 PolarHBondContact O-N 3.38Å; T637-Q639 VanDerWaalsContact C-N 3.25Å; T637-Q639 PolarHBondContact O-N 3.4Å
640L45.3Very low39.4Very low128 Ų128134.5 Ų134.567%0.6776%0.76SS**G310 helixtrans-72.3-37.8-176.3-143.674.9000111.7T637 K642 I643T637-L640 WeakPolarHBondContact O-CB 3.36Å; T637-L640 PolarHBondContact O-N 3.31Å; T637-L640 VanDerWaalsContact O-N 3.08Å; L640-K642 PolarHBondContact O-N 3.19Å; L640-I643 PolarHBondContact O-N 3.4Å
641N40.5Very low39.8Very low147 Ų147135.7 Ų135.779%0.78676%0.756SS**G310 helixtrans-73.523.6-178.9-70.9-16.4000114.7
642K42.4Very low40.4Very low180 Ų180137.3 Ų137.378%0.78375%0.753SS**G310 helixtrans-1304.2174-86.6-174.7174.7176.60114.4L640L640-K642 PolarHBondContact O-N 3.19Å
643I44.3Very low40.8Very low142 Ų142138.3 Ų138.373%0.72875%0.747SS**SBendtrans-127.227.6-174.2-34.8-176.7000112L640L640-I643 PolarHBondContact O-N 3.4Å
644M32.9Very low41.4Very low174 Ų174144.8 Ų144.886%0.85776%0.758SS**  trans-136.8136.8159-74.9-171.6169.500109.5
645P41.5Very low41.8Very low202 Ų202136.7 Ų136.7100%1.31274%0.743SS**  trans-77.10162.635.6-33.9000111.8

Retrieved 645 of 645 residues in 74 ms (Link to these results)