A0A087Y5W8_POEFO Loading...

Mex-3 RNA binding family member D

AlphaFold DB , UniProt , Accession A0A087Y5W8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 537 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
1M36.4Very low41.8Very low231 Ų231144.5 Ų144.5100%1.13881%0.808SS**  01370-85.2179.1166.500107.2
2L39.2Very low42.3Very low152 Ų152143.6 Ų143.680%0.79681%0.813SS**  trans45147.3158-75.967.1000118.4
3E40.6Very low41.9Very low167 Ų167143 Ų14378%0.7882%0.815SS**  cis176.7-178.8-27.2-120.1-171.897.400105.3
4H50.2Low41.5Very low171 Ų171140.7 Ų140.779%0.79281%0.812SS**  trans-69.5174.7-176.7-75.5-64.1000113.7
5P62.8Low41Very low111 Ų111139.9 Ų139.972%0.72182%0.816SS**  cis-157.2169.636.646.3-23.9000122.8
6S42.7Very low40.7Very low115 Ų115138.5 Ų138.580%0.80482%0.816SS**  trans42.3128.1141.1670000123.1
7G34.4Very low40.9Very low81 Ų81137.4 Ų137.484%0.83581%0.814SS**  trans-171.1145.9156.600000111.5
8S39.4Very low40.5Very low115 Ų115135.7 Ų135.780%0.80481%0.81SS**  trans-150.2141.7-177.4176.20000111.3
9R38.2Very low41Very low220 Ų220134.7 Ų134.783%0.8381%0.808SS**  trans165.2142130.3-93.1179.9133.9138.85.5116.4
10D36.6Very low40.5Very low119 Ų119136.4 Ų136.464%0.63681%0.806SS**  trans54.7115.2135.8-53.6-34.9000123.3
11S38.9Very low40.2Very low108 Ų108137.9 Ų137.976%0.75580%0.799SS**  trans69.6120.5132.5-57.70000123.2
12P48.5Very low40.2Very low133 Ų133136.2 Ų136.286%0.86478%0.782SS**PPolyproline II helixtrans-91.6142.4152.235.2-30.3000112.3
13T37.3Very low39.8Very low136 Ų136132.6 Ų132.683%0.83478%0.781SS**PPolyproline II helixtrans-89.2152.7-17543.50000115.6
14S36.4Very low39.7Very low111 Ų111130.4 Ų130.478%0.77678%0.784SS**PPolyproline II helixtrans-51.1147.5174.652.50000117.3
15C32.9Very low39Very low129 Ų129126.2 Ų126.287%0.87279%0.788SS**  trans-138.5117.4153.6-81.70000112.3
16S36.8Very low37.6Very low117 Ų117124.1 Ų124.182%0.81879%0.786SS**  trans-161132.9163.8-73.50000106.6
17P44.8Very low37.3Very low120 Ų120128.2 Ų128.278%0.77979%0.785SS**  -139.9142.494.619.43.3000113.5
18S32.7Very low37.4Very low107 Ų107132.1 Ų132.175%0.74878%0.781SS**  87.617574-49.20000113.2
19P50.5Low37.3Very low117 Ų117134.8 Ų134.876%0.7678%0.783SS**  -135.4164-73.640.6-26.3000115.6
20E31.2Very low37.3Very low167 Ų167129.5 Ų129.578%0.7879%0.786SS**  trans-167.3164.6160.3-97.9-60.342.200108.9
21Y33.4Very low37.1Very low168 Ų168127.8 Ų127.866%0.65980%0.797SS**  cis-156.3131.2-8.9171-99.7000109.1
22Y36.3Very low37.3Very low196 Ų196128 Ų12877%0.76980%0.799SS**  trans50.1140.9168.1-92.6-109.7000122.3
23G31.5Very low36.9Very low77 Ų77131.1 Ų131.179%0.79480%0.801SS**  trans15979.3165.500000115.5
24S38.3Very low36.9Very low120 Ų120129.6 Ų129.684%0.83980%0.796SS**  trans-83.3142.8-165.8-52.20000117.1
25G34.5Very low37.1Very low84 Ų84132.6 Ų132.687%0.86680%0.8SS**  trans100.8133.9153.400000116.5
26G33.7Very low37.3Very low66 Ų66134 Ų13468%0.6880%0.798SS**  cis-172.4167.8-2.900000114.5
27Y36.3Very low37.2Very low202 Ų202137.1 Ų137.179%0.79280%0.799SS**  trans-40.9159.3167.358.2-90.6000115.1
28H37.2Very low37Very low162 Ų162134.3 Ų134.375%0.7579%0.792SS**  cis-144.3139.719.6-97.1146.2000109.6
29M37.3Very low37.4Very low172 Ų172137.8 Ų137.885%0.84780%0.797SS**  72.7121.585.1-69.8-67.5-174.500118.6
30A37.8Very low36.8Very low108 Ų108141.6 Ų141.689%0.89380%0.804SS**  trans63.4132.6152.600000121
31G33.1Very low37.3Very low83 Ų83138.5 Ų138.586%0.85680%0.801SS**  trans171.757.7177.500000113.3
32S43.8Very low38Very low114 Ų114134.2 Ų134.280%0.79780%0.796SS**  trans-80128-174.653.10000113.5
33H38.2Very low38.7Very low197 Ų197130.9 Ų130.991%0.91280%0.795SS**  trans-144.5150.3157.4-121.3-95.3000110.8
34S37.9Very low39.8Very low104 Ų104135.7 Ų135.773%0.72780%0.802SS**  trans-111.5150-165.8-61.90000113.3
35M41.5Very low40.1Very low175 Ų175133 Ų13386%0.86278%0.782SS**  trans54.8111159.2-56.7-67.8-174.900118.2
36L35.8Very low40.9Very low159 Ų159136.7 Ų136.783%0.83278%0.782SS**  172.7148114.6-93163.6000112.1
37H35.3Very low41.9Very low181 Ų181145.1 Ų145.184%0.83879%0.793SS**  trans44.9138.2162.3-87.7115.5000122.2
38G39.7Very low42.8Very low61 Ų61144.3 Ų144.363%0.62979%0.794SS**  71.1138.3118.100000120.5
39E41.3Very low44.1Very low181 Ų181147.9 Ų147.985%0.84680%0.801SS**  trans53.964.7157.8-63.2-16466.600118.6
40Q38.8Very low45.4Very low197 Ų197144.5 Ų144.592%0.92180%0.795SS**  trans-125.372.6156.5-72.2-164.65300112.5
41S40.8Very low47.6Very low101 Ų101144.6 Ų144.671%0.70678%0.784SS**SBendtrans-153.220.3167.5-165.70000115.1
42S49.3Very low50.2Low79 Ų79145.8 Ų145.855%0.55277%0.77SS**SBendtrans-106.2-19.5-167.947.50000116.4
43V50.4Low52.5Low126 Ų126143.1 Ų143.176%0.76475%0.746SS**SBendtrans-119.9-2-161-88.90000118.5
44L54.1Low55.2Low177 Ų177137.5 Ų137.593%0.92773%0.726SS**SBendtrans-115.634.9-174.9-70.2179.9000116.2
45C44.6Very low57.9Low64 Ų64135 Ų13543%0.43270%0.703SS.*  trans-124.911.1177.851.40000116.4R47 R104C45-R47 PolarHBondContact O-N 2.88Å; C45-R104 PolarHBondContact SG-NH1 3.16Å; C45-R104 VanDerWaalsContact SG-NH1 3.4Å
46N51.7Low60.4Low162 Ų162130.4 Ų130.487%0.86669%0.687SS**THydrogen-bonded Turntrans-75.531-171.8-124.150.6000116.5
47R55.7Low63.3Low242 Ų242123 Ų12391%0.91365%0.648SS**THydrogen-bonded Turntrans-161.511173.6-133169.8-66177.52.7117.5C45C45-R47 PolarHBondContact O-N 2.88Å
48K54.9Low66.2Low185 Ų185118.8 Ų118.880%0.80464%0.637SS**SBendtrans-94.6151.3161.8-10974.5173.9-169.90108.4
49R64.3Low68.8Low237 Ų237116.1 Ų116.189%0.89461%0.608SS**  trans-55.4144.6166.7-63.2177.1-178.5173.8-0.4108.3V51R49-V51 PolarHBondContact O-N 3.14Å
50S64.6Low71.3Confident102 Ų102112.1 Ų112.171%0.71360%0.598SS**  trans-62.595.1-179.151.20000110.7
51V84.1Confident73.9Confident110 Ų110104.5 Ų104.567%0.66757%0.566SS**  trans-65.5136.1174.7-178.50000108.1R49 M53R49-V51 PolarHBondContact O-N 3.14Å; V51-M53 PolarHBondContact O-N 3.39Å
52N87.6Confident76.4Confident107 Ų107102.6 Ų102.657%0.57255%0.553SS**  trans-65.9112.8173.849.7-28.9000110T101 G102N52-T101 HydrophobicContact CB-CG2 4.21Å; N52-G102 CarbonylContact C-O 3.43Å; N52-G102 VanDerWaalsContact CA-O 3.23Å; N52-G102 WeakPolarHBondContact CA-O 3.35Å
53M91.6Very high78.4Confident58 Ų58104.4 Ų104.429%0.28655%0.553SS.*EExtended strand (participates in β ladder)trans-75.5146.5174.2-161.3167.584.100108.8V51 T101 G102 R104 V107V51-M53 PolarHBondContact O-N 3.39Å; M53-T101 VanDerWaalsContact O-CA 3.3Å; M53-T101 WeakPolarHBondContact O-CA 3.48Å; M53-G102 PolarHBondContact N-O 3.07Å; M53-G102 PolarHBondContact O-N 3.28Å; M53-R104 HydrophobicContact CE-CG 4.07Å; M53-R104 HydrophobicContact SD-CB 4.32Å; M53-R104 HydrophobicContact SD-CG 4.01Å; M53-V107 HydrophobicContact CE-CB 4.09Å; M53-V107 HydrophobicContact CE-CG1 3.76Å
54T94.6Very high80.5Confident79 Ų7999.2 Ų99.249%0.48552%0.52SS..EExtended strand (participates in β ladder)trans-126.4132.1170.8-61.50000109.2I99 V100 T101T54-I99 HydrophobicContact CG2-CG2 3.54Å; T54-V100 CarbonylContact C-O 3.59Å; T54-V100 VanDerWaalsContact CA-O 3.25Å; T54-V100 WeakPolarHBondContact CA-O 3.39Å; T54-T101 WeakPolarHBondContact CG2-OG1 3.23Å; T54-T101 WeakPolarHBondContact OG1-CG2 3.36Å; T54-T101 PolarHBondContact OG1-OG1 3.39Å
55E95.3Very high82.4Confident52 Ų5291.3 Ų91.324%0.24348%0.479CS..EExtended strand (participates in β ladder)trans-135.9148.7-177.3-169.1165.3-16300111.2V100 V107 K111E55-V100 PolarHBondContact N-O 3.32Å; E55-V100 PolarHBondContact O-N 3.06Å; E55-V107 HydrophobicContact CB-CG1 3.75Å; E55-K111 HydrophobicContact CG-CD 4.24Å; E55-K111 WeakPolarHBondContact OE1-CD 3.29Å; E55-K111 WeakPolarHBondContact OE1-CE 3.32Å; E55-K111 IonicContact OE1-NZ 3.6Å; E55-K111 PolarHBondContact OE1-NZ 2.88Å; E55-K111 WeakPolarHBondContact OE2-CD 3.46Å; E55-K111 IonicContact OE2-NZ 3.46Å; E55-K111 PolarHBondContact OE2-NZ 3.32Å
56C94.8Very high84.8Confident79 Ų7991.1 Ų91.153%0.53448%0.482SS..EExtended strand (participates in β ladder)trans-104.3124.8179.9-65.70000109.7V97 F98C56-V97 HydrophobicContact CB-CG1 3.76Å; C56-F98 WeakPolarHBondContact CA-O 3.2Å
57V96.4Very high86.8Confident2 Ų286.6 Ų86.61%0.01246%0.456CS..EExtended strand (participates in β ladder)trans-115.4100.5-175.6-170.70000109F98 V100 K111 I114 V115V57-F98 HydrophobicContact CB-CB 4.4Å; V57-F98 PolarHBondContact N-O 3.16Å; V57-F98 PolarHBondContact O-N 3.14Å; V57-V100 HydrophobicContact CG2-CG2 3.86Å; V57-K111 HydrophobicContact CG1-CG 4.41Å; V57-K111 HydrophobicContact CG2-CB 3.8Å; V57-K111 HydrophobicContact CG2-CD 4.45Å; V57-K111 HydrophobicContact CG2-CG 3.93Å; V57-I114 HydrophobicContact CB-CG2 4.33Å; V57-I114 HydrophobicContact CG1-CB 4.04Å; V57-I114 HydrophobicContact CG1-CG2 3.61Å; V57-V115 HydrophobicContact CG1-CG2 3.64Å
58P95.4Very high88.6Confident93 Ų9375.4 Ų75.460%0.60441%0.414SS*.EExtended strand (participates in β ladder)trans-73.6146.7178.431.2-34.7000111.3V97P58-V97 HydrophobicContact CB-CG2 4.34Å
59V95.5Very high90.6Very high6 Ų668 Ų684%0.03638%0.384CS..  trans-130.5140.4-178.7168.70000109.2S61 H64 V65 I68 P96 F98 I114 A118V59-S61 PolarHBondContact O-N 3.2Å; V59-H64 HydrophobicContact CG1-CB 3.46Å; V59-H64 VanDerWaalsContact CG1-CB 3.46Å; V59-V65 HydrophobicContact CB-CG2 4.07Å; V59-V65 HydrophobicContact CG1-CG2 3.95Å; V59-I68 HydrophobicContact CG1-CD1 3.98Å; V59-I68 HydrophobicContact CG2-CD1 4.09Å; V59-P96 WeakPolarHBondContact CB-O 3.38Å; V59-P96 PolarHBondContact N-O 2.83Å; V59-P96 WeakPolarHBondContact O-CB 3.48Å; V59-P96 WeakPolarHBondContact O-CG 3.48Å; V59-F98 HydrophobicContact CG2-CD2 3.83Å; V59-F98 HydrophobicContact CG2-CE2 3.93Å; V59-I114 HydrophobicContact CG2-CG2 3.86Å; V59-A118 HydrophobicContact CG1-CB 3.99Å; V59-A118 HydrophobicContact CG2-CB 4.24Å
60P93Very high92Very high97 Ų9757.5 Ų57.563%0.6335%0.35SS*.SBendtrans-63.9-16.2-166.4-2635.8000116.9
61S92.6Very high93.3Very high36 Ų3663.4 Ų63.425%0.25236%0.357SS..  trans-16016017077.80000112.3V59 E63 H64 V65V59-S61 PolarHBondContact O-N 3.2Å; S61-E63 PolarHBondContact O-N 2.98Å; S61-E63 VanDerWaalsContact O-N 3.13Å; S61-E63 WeakPolarHBondContact OG-CB 3.49Å; S61-E63 PolarHBondContact OG-N 3.42Å; S61-H64 PolarHBondContact N-ND1 3.12Å; S61-H64 PolarHBondContact O-N 2.9Å; S61-H64 PolarHBondContact OG-N 3.01Å; S61-H64 PolarHBondContact OG-ND1 3.15Å; S61-V65 PolarHBondContact O-N 3.2Å
62S93.1Very high93.6Very high61 Ų6166.7 Ų66.743%0.42737%0.365SS..Hα-helixtrans-63.1-14.6173-36.30000113.3A66S62-A66 PolarHBondContact O-N 3.2Å
63E92.8Very high93.9Very high118 Ų11862.2 Ų62.255%0.55134%0.343SS*.Hα-helixtrans-80.9-41.3176.1-142.7-161.7142.400111.4S61 V65 A66 E67 R125S61-E63 PolarHBondContact O-N 2.98Å; S61-E63 VanDerWaalsContact O-N 3.13Å; S61-E63 WeakPolarHBondContact OG-CB 3.49Å; S61-E63 PolarHBondContact OG-N 3.42Å; E63-V65 VanDerWaalsContact C-N 3.28Å; E63-V65 PolarHBondContact O-N 2.89Å; E63-A66 WeakPolarHBondContact O-CB 3.38Å; E63-A66 PolarHBondContact O-N 3.14Å; E63-A66 VanDerWaalsContact O-N 3.1Å; E63-E67 PolarHBondContact O-N 3.41Å; E63-R125 IonicContact OE1-CZ 2.69Å; E63-R125 IonicContact OE1-NH1 2.65Å; E63-R125 PolarHBondContact OE1-NH1 2.75Å; E63-R125 IonicContact OE1-NH2 3.24Å; E63-R125 PolarHBondContact OE1-NH2 3.08Å; E63-R125 IonicContact OE2-CZ 3.26Å; E63-R125 IonicContact OE2-NH1 3.42Å; E63-R125 PolarHBondContact OE2-NH1 3.37Å; E63-R125 IonicContact OE2-NH2 3.83Å
64H93.6Very high94.1Very high17 Ų1763 Ų638%0.07935%0.354CS..Hα-helixtrans-60.3-39.3168.2-62.8117.3000111.1V59 S61 A66 E67 I68 S122 R125V59-H64 HydrophobicContact CG1-CB 3.46Å; V59-H64 VanDerWaalsContact CG1-CB 3.46Å; S61-H64 PolarHBondContact N-ND1 3.12Å; S61-H64 PolarHBondContact O-N 2.9Å; S61-H64 PolarHBondContact OG-N 3.01Å; S61-H64 PolarHBondContact OG-ND1 3.15Å; H64-A66 VanDerWaalsContact C-N 3.29Å; H64-A66 PolarHBondContact O-N 2.95Å; H64-E67 PolarHBondContact O-N 3.18Å; H64-E67 VanDerWaalsContact O-N 3.17Å; H64-I68 WeakPolarHBondContact O-CB 3.24Å; H64-I68 WeakPolarHBondContact O-CD1 3.29Å; H64-I68 VanDerWaalsContact O-CG1 3.23Å; H64-I68 WeakPolarHBondContact O-CG1 3.4Å; H64-I68 PolarHBondContact O-N 2.94Å; H64-S122 PolarHBondContact NE2-OG 2.93Å; H64-R125 WeakPolarHBondContact NE2-CD 3.14Å
65V94.5Very high94.2Very high11 Ų1163.7 Ų63.77%0.06735%0.35CS..Hα-helixtrans-55.2-44.3171.8171.10000111V59 S61 E63 I68 V69 T89 P90 P96 F98V59-V65 HydrophobicContact CB-CG2 4.07Å; V59-V65 HydrophobicContact CG1-CG2 3.95Å; S61-V65 PolarHBondContact O-N 3.2Å; E63-V65 VanDerWaalsContact C-N 3.28Å; E63-V65 PolarHBondContact O-N 2.89Å; V65-I68 PolarHBondContact O-N 2.83Å; V65-V69 HydrophobicContact CG1-CG2 4.38Å; V65-V69 WeakPolarHBondContact O-CB 3.33Å; V65-V69 WeakPolarHBondContact O-CG2 3.27Å; V65-V69 PolarHBondContact O-N 3.36Å; V65-T89 HydrophobicContact CG1-CG2 4.3Å; V65-P90 HydrophobicContact CG1-CG 4.04Å; V65-P90 HydrophobicContact CG2-CG 4.44Å; V65-P96 HydrophobicContact CG2-CB 3.71Å; V65-F98 HydrophobicContact CB-CE2 4.35Å; V65-F98 HydrophobicContact CB-CZ 4.3Å; V65-F98 HydrophobicContact CG1-CE1 4.37Å; V65-F98 HydrophobicContact CG1-CE2 4.21Å; V65-F98 HydrophobicContact CG1-CZ 3.76Å; V65-F98 HydrophobicContact CG2-CE2 3.94Å; V65-F98 HydrophobicContact CG2-CZ 4.35Å
66A93.9Very high94.2Very high60 Ų6061.4 Ų61.450%0.49634%0.34SS..Hα-helixtrans-65-38.3177.300000112.9S62 E63 H64 V69 G70S62-A66 PolarHBondContact O-N 3.2Å; E63-A66 WeakPolarHBondContact O-CB 3.38Å; E63-A66 PolarHBondContact O-N 3.14Å; E63-A66 VanDerWaalsContact O-N 3.1Å; H64-A66 VanDerWaalsContact C-N 3.29Å; H64-A66 PolarHBondContact O-N 2.95Å; A66-V69 PolarHBondContact O-N 2.85Å; A66-G70 PolarHBondContact O-N 3.14Å
67E93.8Very high94.3Very high66 Ų6663.9 Ų63.931%0.30834%0.341SS..Hα-helixtrans-70.2-34.6176.3-73.9-177.5-179.800113.4E63 H64 K75 F121 R125E63-E67 PolarHBondContact O-N 3.41Å; H64-E67 PolarHBondContact O-N 3.18Å; H64-E67 VanDerWaalsContact O-N 3.17Å; E67-K75 VanDerWaalsContact O-CD 3.32Å; E67-K75 WeakPolarHBondContact O-CD 3.26Å; E67-K75 PolarHBondContact O-NZ 2.96Å; E67-F121 HydrophobicContact CB-CD1 4.43Å; E67-F121 HydrophobicContact CB-CD2 3.91Å; E67-F121 HydrophobicContact CB-CE2 4.07Å; E67-F121 HydrophobicContact CB-CG 4.15Å; E67-F121 HydrophobicContact CB-CZ 4.44Å; E67-F121 WeakPolarHBondContact OE2-CB 3.37Å; E67-F121 WeakPolarHBondContact OE2-CD1 3.45Å; E67-F121 WeakPolarHBondContact OE2-CG 3.32Å; E67-R125 VanDerWaalsContact CD-NH2 3.26Å; E67-R125 IonicContact OE1-CZ 3.72Å; E67-R125 IonicContact OE1-NE 3.6Å; E67-R125 PolarHBondContact OE1-NE 3.14Å; E67-R125 IonicContact OE1-NH2 2.73Å; E67-R125 PolarHBondContact OE1-NH2 2.89Å; E67-R125 IonicContact OE2-CZ 2.73Å; E67-R125 IonicContact OE2-NE 2.72Å; E67-R125 PolarHBondContact OE2-NE 2.93Å; E67-R125 IonicContact OE2-NH2 2.85Å
68I95Very high94.3Very high8 Ų866.6 Ų66.64%0.04136%0.364CS..Hα-helixtrans-69.5-41.1173.3-66.8162.9000110.7V59 H64 V65 K75 F98 I114 A117 A118 F121V59-I68 HydrophobicContact CG1-CD1 3.98Å; V59-I68 HydrophobicContact CG2-CD1 4.09Å; H64-I68 WeakPolarHBondContact O-CB 3.24Å; H64-I68 WeakPolarHBondContact O-CD1 3.29Å; H64-I68 VanDerWaalsContact O-CG1 3.23Å; H64-I68 WeakPolarHBondContact O-CG1 3.4Å; H64-I68 PolarHBondContact O-N 2.94Å; V65-I68 PolarHBondContact O-N 2.83Å; I68-K75 WeakPolarHBondContact O-CB 3.16Å; I68-F98 HydrophobicContact CB-CE2 4.4Å; I68-F98 HydrophobicContact CB-CZ 4.2Å; I68-F98 HydrophobicContact CD1-CE2 4.15Å; I68-F98 HydrophobicContact CG2-CE2 4.05Å; I68-F98 HydrophobicContact CG2-CZ 3.81Å; I68-I114 HydrophobicContact CD1-CG2 4.46Å; I68-A117 HydrophobicContact CG1-CB 4.11Å; I68-A118 HydrophobicContact CD1-CB 4Å; I68-F121 HydrophobicContact CG1-CD2 3.87Å; I68-F121 HydrophobicContact CG1-CE2 3.71Å
69V95.7Very high94.3Very high28 Ų2863 Ų6317%0.1734%0.339CS..Hα-helixtrans-66-43.4175.9168.50000111.7V65 A66 G73 K75 I76 T89 F98V65-V69 HydrophobicContact CG1-CG2 4.38Å; V65-V69 WeakPolarHBondContact O-CB 3.33Å; V65-V69 WeakPolarHBondContact O-CG2 3.27Å; V65-V69 PolarHBondContact O-N 3.36Å; A66-V69 PolarHBondContact O-N 2.85Å; V69-G73 CarbonylContact O-C 3.15Å; V69-G73 VanDerWaalsContact O-C 3.31Å; V69-G73 VanDerWaalsContact O-CA 3.32Å; V69-G73 WeakPolarHBondContact O-CA 3.27Å; V69-K75 PolarHBondContact O-N 2.99Å; V69-I76 HydrophobicContact CB-CG2 4.38Å; V69-I76 HydrophobicContact CG1-CG2 4.02Å; V69-I76 HydrophobicContact CG2-CG2 4.38Å; V69-I76 PolarHBondContact O-N 2.88Å; V69-T89 HydrophobicContact CG2-CG2 3.52Å; V69-F98 HydrophobicContact CG2-CE1 4.1Å; V69-F98 HydrophobicContact CG2-CZ 4.11Å
70G93.7Very high94.4Very high17 Ų1766.4 Ų66.418%0.17535%0.352CS..  trans74.9168.6-18000000114.2A66 Q72 G73A66-G70 PolarHBondContact O-N 3.14Å; G70-Q72 PolarHBondContact O-N 3.44Å; G70-G73 PolarHBondContact O-N 3.4Å
71R92.1Very high94.5Very high227 Ų22765.2 Ų65.286%0.85735%0.35SS*.G310 helixtrans-56.3130.9178.5-64.3-177.9179.8-178.7-0.6110.1G73 C74R71-G73 PolarHBondContact O-N 3.26Å; R71-C74 WeakPolarHBondContact O-CB 3.47Å; R71-C74 PolarHBondContact O-N 3.38Å; R71-C74 VanDerWaalsContact O-N 3.11Å; R71-C74 PolarHBondContact O-SG 3.21Å
72Q91.6Very high94.7Very high179 Ų17969.3 Ų69.384%0.83636%0.364SS*.G310 helixtrans53.722.1-175.8-52.3-61.30.300115.5G70 C74 K77G70-Q72 PolarHBondContact O-N 3.44Å; Q72-C74 PolarHBondContact O-N 3.48Å; Q72-K77 PolarHBondContact O-NZ 2.8Å
73G93.4Very high94.8Very high12 Ų1266.4 Ų66.412%0.12434%0.343CS..G310 helixtrans66.120.8-176.600000114.2V69 G70 R71 K75 I76 K77V69-G73 CarbonylContact O-C 3.15Å; V69-G73 VanDerWaalsContact O-C 3.31Å; V69-G73 VanDerWaalsContact O-CA 3.32Å; V69-G73 WeakPolarHBondContact O-CA 3.27Å; G70-G73 PolarHBondContact O-N 3.4Å; R71-G73 PolarHBondContact O-N 3.26Å; G73-K75 PolarHBondContact O-N 3.24Å; G73-I76 WeakPolarHBondContact O-CG2 3.44Å; G73-I76 PolarHBondContact O-N 3.28Å; G73-K77 WeakPolarHBondContact O-CB 3.39Å; G73-K77 WeakPolarHBondContact O-CD 3.47Å; G73-K77 VanDerWaalsContact O-CG 3.23Å; G73-K77 WeakPolarHBondContact O-CG 3.27Å; G73-K77 PolarHBondContact O-N 3.01Å
74C95.8Very high94.9Very high75 Ų7565.9 Ų65.951%0.50734%0.344SS..Hα-helixtrans-62.1-41-173.465.50000112.9R71 Q72 A78R71-C74 WeakPolarHBondContact O-CB 3.47Å; R71-C74 PolarHBondContact O-N 3.38Å; R71-C74 VanDerWaalsContact O-N 3.11Å; R71-C74 PolarHBondContact O-SG 3.21Å; Q72-C74 PolarHBondContact O-N 3.48Å; C74-A78 WeakPolarHBondContact O-CB 3.42Å; C74-A78 PolarHBondContact O-N 3.42Å
75K95.5Very high95Very high94 Ų9465.4 Ų65.441%0.40934%0.343SS..Hα-helixtrans-67.7-47.6179.6-68-176.9-175.9177.70111.5E67 I68 V69 G73 K77 A78 L79E67-K75 VanDerWaalsContact O-CD 3.32Å; E67-K75 WeakPolarHBondContact O-CD 3.26Å; E67-K75 PolarHBondContact O-NZ 2.96Å; I68-K75 WeakPolarHBondContact O-CB 3.16Å; V69-K75 PolarHBondContact O-N 2.99Å; G73-K75 PolarHBondContact O-N 3.24Å; K75-K77 VanDerWaalsContact C-N 3.32Å; K75-K77 PolarHBondContact O-N 3.49Å; K75-A78 WeakPolarHBondContact O-CB 3.44Å; K75-A78 PolarHBondContact O-N 3.45Å; K75-A78 VanDerWaalsContact O-N 3.16Å; K75-L79 WeakPolarHBondContact O-CB 3.15Å; K75-L79 PolarHBondContact O-N 3.39Å
76I96.2Very high95.1Very high4 Ų472.2 Ų72.22%0.02137%0.368CS..Hα-helixtrans-67.9-31.7179.5-166.764.4000112.3V69 G73 L79 R80 I87 F98V69-I76 HydrophobicContact CB-CG2 4.38Å; V69-I76 HydrophobicContact CG1-CG2 4.02Å; V69-I76 HydrophobicContact CG2-CG2 4.38Å; V69-I76 PolarHBondContact O-N 2.88Å; G73-I76 WeakPolarHBondContact O-CG2 3.44Å; G73-I76 PolarHBondContact O-N 3.28Å; I76-L79 HydrophobicContact CD1-CD2 4.24Å; I76-L79 PolarHBondContact O-N 3.3Å; I76-R80 WeakPolarHBondContact O-CB 3.44Å; I76-R80 VanDerWaalsContact O-CG 3.23Å; I76-R80 WeakPolarHBondContact O-CG 3.21Å; I76-R80 PolarHBondContact O-N 2.92Å; I76-I87 HydrophobicContact CD1-CB 4.1Å; I76-I87 HydrophobicContact CD1-CD1 3.77Å; I76-I87 HydrophobicContact CD1-CG2 3.88Å; I76-F98 HydrophobicContact CD1-CE1 4.31Å
77K96.3Very high95.3Very high130 Ų13069.4 Ų69.457%0.56535%0.345SS*.Hα-helixtrans-62.1-47.1169.4-74.7165.5-179.1162.80111.2Q72 G73 K75 A81Q72-K77 PolarHBondContact O-NZ 2.8Å; G73-K77 WeakPolarHBondContact O-CB 3.39Å; G73-K77 WeakPolarHBondContact O-CD 3.47Å; G73-K77 VanDerWaalsContact O-CG 3.23Å; G73-K77 WeakPolarHBondContact O-CG 3.27Å; G73-K77 PolarHBondContact O-N 3.01Å; K75-K77 VanDerWaalsContact C-N 3.32Å; K75-K77 PolarHBondContact O-N 3.49Å; K77-A81 WeakPolarHBondContact O-CB 3.3Å; K77-A81 PolarHBondContact O-N 3.22Å
78A96.4Very high95.4Very high59 Ų5970.6 Ų70.649%0.48835%0.349SS..Hα-helixtrans-62.4-41.117600000112.3C74 K75 A81 K82C74-A78 WeakPolarHBondContact O-CB 3.42Å; C74-A78 PolarHBondContact O-N 3.42Å; K75-A78 WeakPolarHBondContact O-CB 3.44Å; K75-A78 PolarHBondContact O-N 3.45Å; K75-A78 VanDerWaalsContact O-N 3.16Å; A78-A81 PolarHBondContact O-N 2.8Å; A78-K82 VanDerWaalsContact O-CB 3.3Å; A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 PolarHBondContact O-N 3.11Å
79L96.3Very high95.4Very high17 Ų1772.1 Ų72.19%0.08936%0.359CS..Hα-helixtrans-67.2-43179.3-173.661.6000112.6K75 I76 A81 K82 T83 I87 E113 I114K75-L79 WeakPolarHBondContact O-CB 3.15Å; K75-L79 PolarHBondContact O-N 3.39Å; I76-L79 HydrophobicContact CD1-CD2 4.24Å; I76-L79 PolarHBondContact O-N 3.3Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.19Å; L79-K82 PolarHBondContact O-N 2.98Å; L79-T83 HydrophobicContact CD1-CG2 4.02Å; L79-T83 WeakPolarHBondContact O-CB 3.3Å; L79-T83 WeakPolarHBondContact O-CG2 3.39Å; L79-T83 PolarHBondContact O-N 3.15Å; L79-T83 PolarHBondContact O-OG1 3.41Å; L79-I87 HydrophobicContact CD2-CD1 4.05Å; L79-I87 HydrophobicContact CG-CD1 4.02Å; L79-E113 HydrophobicContact CD1-CB 4.03Å; L79-E113 HydrophobicContact CD1-CG 3.67Å; L79-E113 WeakPolarHBondContact CD1-OE2 3.31Å; L79-I114 HydrophobicContact CD2-CG1 3.79Å
80R96.5Very high95.4Very high78 Ų7871.7 Ų71.729%0.29436%0.356SS..Hα-helixtrans-58.4-43.1171.8-71.9173.7-170.6155.66.1111.4I76 N84 T85 I87 T89I76-R80 WeakPolarHBondContact O-CB 3.44Å; I76-R80 VanDerWaalsContact O-CG 3.23Å; I76-R80 WeakPolarHBondContact O-CG 3.21Å; I76-R80 PolarHBondContact O-N 2.92Å; R80-N84 VanDerWaalsContact O-CA 3.29Å; R80-N84 WeakPolarHBondContact O-CA 3.36Å; R80-N84 PolarHBondContact O-N 3.33Å; R80-T85 WeakPolarHBondContact CB-O 3.27Å; R80-T85 WeakPolarHBondContact CG-O 3.5Å; R80-T85 PolarHBondContact O-N 3.3Å; R80-I87 HydrophobicContact CG-CB 3.99Å; R80-I87 HydrophobicContact CG-CD1 3.87Å; R80-I87 HydrophobicContact CG-CG1 3.91Å; R80-I87 PolarHBondContact NE-O 2.96Å; R80-I87 PolarHBondContact NH2-O 2.78Å; R80-T89 PolarHBondContact NH2-OG1 2.9Å
81A96.4Very high95.2Very high73 Ų7375 Ų7560%0.60337%0.373SS*.Hα-helixtrans-68.8-40.5177.900000112.9K77 A78 L79K77-A81 WeakPolarHBondContact O-CB 3.3Å; K77-A81 PolarHBondContact O-N 3.22Å; A78-A81 PolarHBondContact O-N 2.8Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.19Å
82K95.4Very high94.8Very high122 Ų12276.3 Ų76.353%0.5338%0.378SS..Hα-helixtrans-63-40.9177.5-173.4-165.7-177.6-161.80112.4A78 L79 E113A78-K82 VanDerWaalsContact O-CB 3.3Å; A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 PolarHBondContact O-N 3.11Å; L79-K82 PolarHBondContact O-N 2.98Å; K82-E113 IonicContact NZ-OE1 3.33Å; K82-E113 PolarHBondContact NZ-OE1 3.24Å; K82-E113 IonicContact NZ-OE2 3.61Å; K82-E113 PolarHBondContact NZ-OE2 3.13Å
83T95.4Very high94.4Very high0 Ų071.3 Ų71.30%038%0.375CS..Hα-helixtrans-101.5-3.2-172.960.90000113.7L79 T85 D106 M109 A110L79-T83 HydrophobicContact CD1-CG2 4.02Å; L79-T83 WeakPolarHBondContact O-CB 3.3Å; L79-T83 WeakPolarHBondContact O-CG2 3.39Å; L79-T83 PolarHBondContact O-N 3.15Å; L79-T83 PolarHBondContact O-OG1 3.41Å; T83-T85 PolarHBondContact O-N 2.87Å; T83-T85 VanDerWaalsContact O-N 3.09Å; T83-T85 PolarHBondContact OG1-OG1 3.26Å; T83-D106 WeakPolarHBondContact O-CB 3.45Å; T83-M109 HydrophobicContact CG2-CG 4.22Å; T83-M109 HydrophobicContact CG2-SD 4.13Å; T83-A110 HydrophobicContact CG2-CB 3.93Å
84N95.7Very high94.3Very high106 Ų10675.4 Ų75.457%0.56739%0.391SS*.THydrogen-bonded Turntrans54.621.6-173.6-54.7-79.5000114.8R80R80-N84 VanDerWaalsContact O-CA 3.29Å; R80-N84 WeakPolarHBondContact O-CA 3.36Å; R80-N84 PolarHBondContact O-N 3.33Å
85T96.2Very high94.1Very high8 Ų878 Ų785%0.04940%0.4CS..  trans-96.8149.3-179.2590000113.2R80 T83 I87 V100 D106 V107 A110R80-T85 WeakPolarHBondContact CB-O 3.27Å; R80-T85 WeakPolarHBondContact CG-O 3.5Å; R80-T85 PolarHBondContact O-N 3.3Å; T83-T85 PolarHBondContact O-N 2.87Å; T83-T85 VanDerWaalsContact O-N 3.09Å; T83-T85 PolarHBondContact OG1-OG1 3.26Å; T85-I87 WeakPolarHBondContact OG1-CD1 3.49Å; T85-I87 VanDerWaalsContact OG1-CG1 3.25Å; T85-I87 WeakPolarHBondContact OG1-CG1 3.19Å; T85-V100 HydrophobicContact CG2-CG1 3.87Å; T85-D106 VanDerWaalsContact CG2-C 3.44Å; T85-D106 HydrophobicContact CG2-CB 3.78Å; T85-D106 VanDerWaalsContact CG2-O 3.3Å; T85-D106 WeakPolarHBondContact CG2-O 3.45Å; T85-V107 HydrophobicContact CG2-CG2 4.28Å; T85-A110 HydrophobicContact CG2-CB 3.89Å
86Y96.8Very high94.1Very high154 Ų15475 Ų7560%0.60439%0.39SS*.EExtended strand (participates in β ladder)trans-85.9108162.1-179.5-91.9000109.2K88 T101Y86-K88 HydrophobicContact CE1-CB 4.16Å; Y86-T101 PolarHBondContact N-O 2.85Å; Y86-T101 PolarHBondContact O-N 3.35Å
87I97.1Very high94.1Very high0 Ų077 Ų770%040%0.402CS..EExtended strand (participates in β ladder)trans-106.2103.7178.7-51.6167.4000109.5I76 L79 R80 T85 T89 F98 I99 V100 A110 I114I76-I87 HydrophobicContact CD1-CB 4.1Å; I76-I87 HydrophobicContact CD1-CD1 3.77Å; I76-I87 HydrophobicContact CD1-CG2 3.88Å; L79-I87 HydrophobicContact CD2-CD1 4.05Å; L79-I87 HydrophobicContact CG-CD1 4.02Å; R80-I87 HydrophobicContact CG-CB 3.99Å; R80-I87 HydrophobicContact CG-CD1 3.87Å; R80-I87 HydrophobicContact CG-CG1 3.91Å; R80-I87 PolarHBondContact NE-O 2.96Å; R80-I87 PolarHBondContact NH2-O 2.78Å; T85-I87 WeakPolarHBondContact OG1-CD1 3.49Å; T85-I87 VanDerWaalsContact OG1-CG1 3.25Å; T85-I87 WeakPolarHBondContact OG1-CG1 3.19Å; I87-T89 PolarHBondContact O-N 2.97Å; I87-F98 HydrophobicContact CG2-CB 4.1Å; I87-F98 HydrophobicContact CG2-CD1 3.71Å; I87-F98 HydrophobicContact CG2-CG 4.26Å; I87-I99 CarbonylContact C-O 3.39Å; I87-I99 WeakPolarHBondContact CA-O 3.34Å; I87-V100 HydrophobicContact CG1-CG1 4.22Å; I87-V100 HydrophobicContact CG1-CG2 4.28Å; I87-V100 HydrophobicContact CG2-CG2 4.12Å; I87-A110 HydrophobicContact CD1-CB 4.39Å; I87-I114 HydrophobicContact CD1-CD1 4.35Å; I87-I114 HydrophobicContact CG2-CD1 4.21Å
88K96Very high94.2Very high91 Ų9170.9 Ų70.940%0.39638%0.375SS..EExtended strand (participates in β ladder)trans-69.2124.7168.8-173.6-167.9171.6-162.70108.9Y86 I99Y86-K88 HydrophobicContact CE1-CB 4.16Å; K88-I99 HydrophobicContact CB-CB 4.2Å; K88-I99 HydrophobicContact CD-CD1 4.38Å; K88-I99 PolarHBondContact N-O 3.45Å; K88-I99 PolarHBondContact O-N 3.29Å
89T95.2Very high94.2Very high41 Ų4170.9 Ų70.925%0.25237%0.367SS..PPolyproline II helixtrans-83.5131.8170.3-52.60000108.7V65 V69 R80 I87 F98V65-T89 HydrophobicContact CG1-CG2 4.3Å; V69-T89 HydrophobicContact CG2-CG2 3.52Å; R80-T89 PolarHBondContact NH2-OG1 2.9Å; I87-T89 PolarHBondContact O-N 2.97Å; T89-F98 HydrophobicContact CG2-CE1 4.03Å
90P94.6Very high94.2Very high18 Ų1870 Ų7012%0.11736%0.362CS..PPolyproline II helixtrans-67.4152.4173.129.6-34.6000110.4V65 E94 D95 V97V65-P90 HydrophobicContact CG1-CG 4.04Å; V65-P90 HydrophobicContact CG2-CG 4.44Å; P90-E94 HydrophobicContact CB-CB 4.49Å; P90-D95 VanDerWaalsContact CB-O 3.27Å; P90-D95 WeakPolarHBondContact CB-O 3.49Å; P90-V97 WeakPolarHBondContact CD-O 3.01Å; P90-V97 WeakPolarHBondContact CG-O 3.43Å
91V89.9Confident94.2Very high88 Ų8867.9 Ų67.953%0.53336%0.358SS..PPolyproline II helixtrans-80.7162-179.8-45.40000111.6G93 E94V91-G93 PolarHBondContact O-N 3.03Å; V91-E94 HydrophobicContact CG2-CB 4.19Å; V91-E94 HydrophobicContact CG2-CG 3.7Å; V91-E94 PolarHBondContact N-OE2 3.15Å; V91-E94 PolarHBondContact O-N 3.31Å; V91-E94 VanDerWaalsContact O-N 3.09Å
92R83.3Confident94.1Very high253 Ų25365 Ų6596%0.95534%0.335SS*.THydrogen-bonded Turntrans-69.996.3-177.2-173.2-179-175.1178.51.4110.8
93G84.1Confident94.1Very high75 Ų7564.8 Ų64.877%0.77333%0.331SS*.THydrogen-bonded Turntrans125.4-11.8-177.400000113.9V91V91-G93 PolarHBondContact O-N 3.03Å
94E90.5Very high94Very high97 Ų9770.6 Ų70.645%0.45335%0.353SS..SBendtrans-79.6167.9163-80.8173.6176.100111P90 V91P90-E94 HydrophobicContact CB-CB 4.49Å; V91-E94 HydrophobicContact CG2-CB 4.19Å; V91-E94 HydrophobicContact CG2-CG 3.7Å; V91-E94 PolarHBondContact N-OE2 3.15Å; V91-E94 PolarHBondContact O-N 3.31Å; V91-E94 VanDerWaalsContact O-N 3.09Å
95D93.1Very high93.8Very high131 Ų13171 Ų7170%0.70135%0.351SS*.  trans-53.7141171.8-71.5-46.3000111.8P90 V97P90-D95 VanDerWaalsContact CB-O 3.27Å; P90-D95 WeakPolarHBondContact CB-O 3.49Å; D95-V97 HydrophobicContact CB-CG2 4.17Å; D95-V97 PolarHBondContact O-N 3.02Å
96P95.4Very high93.8Very high31 Ų3171.4 Ų71.420%0.20135%0.353CS..SBendtrans-76.759-176.933.4-38000112.6V59 V65V59-P96 WeakPolarHBondContact CB-O 3.38Å; V59-P96 PolarHBondContact N-O 2.83Å; V59-P96 WeakPolarHBondContact O-CB 3.48Å; V59-P96 WeakPolarHBondContact O-CG 3.48Å; V65-P96 HydrophobicContact CG2-CB 3.71Å
97V96.1Very high93.8Very high46 Ų4664 Ų6428%0.27932%0.324SS..EExtended strand (participates in β ladder)trans-116.5118.3-178.3-176.20000110.1C56 P58 P90 D95C56-V97 HydrophobicContact CB-CG1 3.76Å; P58-V97 HydrophobicContact CB-CG2 4.34Å; P90-V97 WeakPolarHBondContact CD-O 3.01Å; P90-V97 WeakPolarHBondContact CG-O 3.43Å; D95-V97 HydrophobicContact CB-CG2 4.17Å; D95-V97 PolarHBondContact O-N 3.02Å
98F96.9Very high93.7Very high0 Ų067.3 Ų67.30%034%0.339CS..EExtended strand (participates in β ladder)trans-79.4138.2168.3-71.3-83.7000110C56 V57 V59 V65 I68 V69 I76 I87 T89 I114C56-F98 WeakPolarHBondContact CA-O 3.2Å; V57-F98 HydrophobicContact CB-CB 4.4Å; V57-F98 PolarHBondContact N-O 3.16Å; V57-F98 PolarHBondContact O-N 3.14Å; V59-F98 HydrophobicContact CG2-CD2 3.83Å; V59-F98 HydrophobicContact CG2-CE2 3.93Å; V65-F98 HydrophobicContact CB-CE2 4.35Å; V65-F98 HydrophobicContact CB-CZ 4.3Å; V65-F98 HydrophobicContact CG1-CE1 4.37Å; V65-F98 HydrophobicContact CG1-CE2 4.21Å; V65-F98 HydrophobicContact CG1-CZ 3.76Å; V65-F98 HydrophobicContact CG2-CE2 3.94Å; V65-F98 HydrophobicContact CG2-CZ 4.35Å; I68-F98 HydrophobicContact CB-CE2 4.4Å; I68-F98 HydrophobicContact CB-CZ 4.2Å; I68-F98 HydrophobicContact CD1-CE2 4.15Å; I68-F98 HydrophobicContact CG2-CE2 4.05Å; I68-F98 HydrophobicContact CG2-CZ 3.81Å; V69-F98 HydrophobicContact CG2-CE1 4.1Å; V69-F98 HydrophobicContact CG2-CZ 4.11Å; I76-F98 HydrophobicContact CD1-CE1 4.31Å; I87-F98 HydrophobicContact CG2-CB 4.1Å; I87-F98 HydrophobicContact CG2-CD1 3.71Å; I87-F98 HydrophobicContact CG2-CG 4.26Å; T89-F98 HydrophobicContact CG2-CE1 4.03Å; F98-I114 HydrophobicContact CB-CD1 4.18Å; F98-I114 HydrophobicContact CD2-CG2 3.73Å; F98-I114 HydrophobicContact CE2-CG2 4.13Å; F98-I114 HydrophobicContact CG-CD1 4.33Å; F98-I114 HydrophobicContact CG-CG2 4.5Å
99I96.8Very high93.7Very high59 Ų5967.5 Ų67.530%0.30334%0.343SS..EExtended strand (participates in β ladder)trans-107.7116.4173-56.5175.2000107.8T54 I87 K88T54-I99 HydrophobicContact CG2-CG2 3.54Å; I87-I99 CarbonylContact C-O 3.39Å; I87-I99 WeakPolarHBondContact CA-O 3.34Å; K88-I99 HydrophobicContact CB-CB 4.2Å; K88-I99 HydrophobicContact CD-CD1 4.38Å; K88-I99 PolarHBondContact N-O 3.45Å; K88-I99 PolarHBondContact O-N 3.29Å
100V97.5Very high93.8Very high0 Ų065.6 Ų65.60%033%0.331CS..EExtended strand (participates in β ladder)trans-110.2120.6-172.9-175.60000109.1T54 E55 V57 T85 I87 V107 A110 I114T54-V100 CarbonylContact C-O 3.59Å; T54-V100 VanDerWaalsContact CA-O 3.25Å; T54-V100 WeakPolarHBondContact CA-O 3.39Å; E55-V100 PolarHBondContact N-O 3.32Å; E55-V100 PolarHBondContact O-N 3.06Å; V57-V100 HydrophobicContact CG2-CG2 3.86Å; T85-V100 HydrophobicContact CG2-CG1 3.87Å; I87-V100 HydrophobicContact CG1-CG1 4.22Å; I87-V100 HydrophobicContact CG1-CG2 4.28Å; I87-V100 HydrophobicContact CG2-CG2 4.12Å; V100-V107 HydrophobicContact CB-CG1 4.42Å; V100-V107 HydrophobicContact CG1-CB 4.33Å; V100-V107 HydrophobicContact CG1-CG1 4.11Å; V100-V107 HydrophobicContact CG1-CG2 4.12Å; V100-A110 HydrophobicContact CG1-CB 3.86Å; V100-I114 HydrophobicContact CG2-CD1 3.85Å
101T95.6Very high93.8Very high32 Ų3267.2 Ų67.220%0.19634%0.337CS..EExtended strand (participates in β ladder)trans-120.2131.3177-57.90000110.6N52 M53 T54 Y86N52-T101 HydrophobicContact CB-CG2 4.21Å; M53-T101 VanDerWaalsContact O-CA 3.3Å; M53-T101 WeakPolarHBondContact O-CA 3.48Å; T54-T101 WeakPolarHBondContact CG2-OG1 3.23Å; T54-T101 WeakPolarHBondContact OG1-CG2 3.36Å; T54-T101 PolarHBondContact OG1-OG1 3.39Å; Y86-T101 PolarHBondContact N-O 2.85Å; Y86-T101 PolarHBondContact O-N 3.35Å
102G95.6Very high94.1Very high12 Ų1271 Ų7112%0.12434%0.341CS..EExtended strand (participates in β ladder)trans177-160.5-17800000113N52 M53 V107N52-G102 CarbonylContact C-O 3.43Å; N52-G102 VanDerWaalsContact CA-O 3.23Å; N52-G102 WeakPolarHBondContact CA-O 3.35Å; M53-G102 PolarHBondContact N-O 3.07Å; M53-G102 PolarHBondContact O-N 3.28Å; G102-V107 VanDerWaalsContact N-CG2 3.29Å
103R94.5Very high94.8Very high119 Ų11962.1 Ų62.145%0.44931%0.31SS..  trans-70.2162.7167.6-58.3-178.1-97.6-147.2-8.3110.2E105 D106 V107R103-E105 VanDerWaalsContact C-N 3.35Å; R103-E105 HydrophobicContact CB-CG 4.31Å; R103-E105 WeakPolarHBondContact CB-OE2 3.15Å; R103-E105 WeakPolarHBondContact CD-OE1 3.23Å; R103-E105 PolarHBondContact O-N 2.94Å; R103-D106 HydrophobicContact CB-CB 4.03Å; R103-D106 WeakPolarHBondContact CB-OD2 3.25Å; R103-D106 WeakPolarHBondContact CG-OD2 3.29Å; R103-D106 IonicContact CZ-OD2 3.35Å; R103-D106 IonicContact NE-OD2 3.96Å; R103-D106 PolarHBondContact NE-OD2 2.93Å; R103-D106 IonicContact NH2-OD2 3.59Å; R103-D106 PolarHBondContact O-N 3.34Å; R103-V107 WeakPolarHBondContact O-CB 3.39Å; R103-V107 WeakPolarHBondContact O-CG2 3.31Å; R103-V107 PolarHBondContact O-N 3.43Å
104R92.3Very high95.4Very high121 Ų12158.5 Ų58.546%0.45727%0.274SS..Hα-helixtrans-62.6-44.7-175.6177177.9-72.3169.7-3.4111.5C45 M53 E108C45-R104 PolarHBondContact SG-NH1 3.16Å; C45-R104 VanDerWaalsContact SG-NH1 3.4Å; M53-R104 HydrophobicContact CE-CG 4.07Å; M53-R104 HydrophobicContact SD-CB 4.32Å; M53-R104 HydrophobicContact SD-CG 4.01Å; R104-E108 PolarHBondContact O-N 2.92Å; R104-E108 VanDerWaalsContact O-N 3.08Å
105E93.1Very high95.7Very high114 Ų11457.2 Ų57.253%0.53327%0.272SS..Hα-helixtrans-63.8-43.7176.462-82.3-154.200112.4R103 M109R103-E105 VanDerWaalsContact C-N 3.35Å; R103-E105 HydrophobicContact CB-CG 4.31Å; R103-E105 WeakPolarHBondContact CB-OE2 3.15Å; R103-E105 WeakPolarHBondContact CD-OE1 3.23Å; R103-E105 PolarHBondContact O-N 2.94Å; E105-M109 WeakPolarHBondContact O-CB 3.47Å; E105-M109 PolarHBondContact O-N 3.33Å
106D95.6Very high95.8Very high17 Ų1754.1 Ų54.19%0.09126%0.26CS..Hα-helixtrans-64.6-44.1177.4-75.3-19.9000111.2T83 T85 R103 A110T83-D106 WeakPolarHBondContact O-CB 3.45Å; T85-D106 VanDerWaalsContact CG2-C 3.44Å; T85-D106 HydrophobicContact CG2-CB 3.78Å; T85-D106 VanDerWaalsContact CG2-O 3.3Å; T85-D106 WeakPolarHBondContact CG2-O 3.45Å; R103-D106 HydrophobicContact CB-CB 4.03Å; R103-D106 WeakPolarHBondContact CB-OD2 3.25Å; R103-D106 WeakPolarHBondContact CG-OD2 3.29Å; R103-D106 IonicContact CZ-OD2 3.35Å; R103-D106 IonicContact NE-OD2 3.96Å; R103-D106 PolarHBondContact NE-OD2 2.93Å; R103-D106 IonicContact NH2-OD2 3.59Å; R103-D106 PolarHBondContact O-N 3.34Å; D106-A110 WeakPolarHBondContact O-CB 3.3Å; D106-A110 PolarHBondContact O-N 3.22Å
107V96.1Very high95.8Very high0 Ų053.8 Ų53.80%026%0.261CS..Hα-helixtrans-67.4-47.5-179.5170.30000111.9M53 E55 T85 V100 G102 R103 M109 A110 K111M53-V107 HydrophobicContact CE-CB 4.09Å; M53-V107 HydrophobicContact CE-CG1 3.76Å; E55-V107 HydrophobicContact CB-CG1 3.75Å; T85-V107 HydrophobicContact CG2-CG2 4.28Å; V100-V107 HydrophobicContact CB-CG1 4.42Å; V100-V107 HydrophobicContact CG1-CB 4.33Å; V100-V107 HydrophobicContact CG1-CG1 4.11Å; V100-V107 HydrophobicContact CG1-CG2 4.12Å; G102-V107 VanDerWaalsContact N-CG2 3.29Å; R103-V107 WeakPolarHBondContact O-CB 3.39Å; R103-V107 WeakPolarHBondContact O-CG2 3.31Å; R103-V107 PolarHBondContact O-N 3.43Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 2.92Å; V107-A110 PolarHBondContact O-N 3.01Å; V107-K111 VanDerWaalsContact O-CB 3.3Å; V107-K111 WeakPolarHBondContact O-CB 3.34Å; V107-K111 PolarHBondContact O-N 3.28Å
108E95.1Very high95.8Very high68 Ų6851.8 Ų51.832%0.31825%0.249SC..Hα-helixtrans-64.8-36.4179178.358.2-146.400111.4R104 K111 R112R104-E108 PolarHBondContact O-N 2.92Å; R104-E108 VanDerWaalsContact O-N 3.08Å; E108-K111 WeakPolarHBondContact OE2-CE 3.34Å; E108-K111 IonicContact OE2-NZ 2.75Å; E108-K111 PolarHBondContact OE2-NZ 3.03Å; E108-R112 WeakPolarHBondContact O-CB 3.44Å; E108-R112 PolarHBondContact O-N 3.09Å; E108-R112 IonicContact OE1-NH2 2.75Å
109M95.9Very high95.7Very high96 Ų9657.4 Ų57.447%0.47328%0.275SS..Hα-helixtrans-62.6-49.7172.4-169.8-172.2-55.500111.6T83 E105 V107 K111 R112 E113T83-M109 HydrophobicContact CG2-CG 4.22Å; T83-M109 HydrophobicContact CG2-SD 4.13Å; E105-M109 WeakPolarHBondContact O-CB 3.47Å; E105-M109 PolarHBondContact O-N 3.33Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 2.92Å; M109-K111 PolarHBondContact O-N 2.98Å; M109-R112 PolarHBondContact O-N 3.27Å; M109-E113 WeakPolarHBondContact O-CB 3.35Å; M109-E113 PolarHBondContact O-N 3Å
110A97.1Very high95.6Very high0 Ų059.2 Ų59.20%028%0.282CS..Hα-helixtrans-61.7-43.5178.700000112.4T83 T85 I87 V100 D106 V107 E113 I114T83-A110 HydrophobicContact CG2-CB 3.93Å; T85-A110 HydrophobicContact CG2-CB 3.89Å; I87-A110 HydrophobicContact CD1-CB 4.39Å; V100-A110 HydrophobicContact CG1-CB 3.86Å; D106-A110 WeakPolarHBondContact O-CB 3.3Å; D106-A110 PolarHBondContact O-N 3.22Å; V107-A110 PolarHBondContact O-N 3.01Å; A110-E113 PolarHBondContact O-N 2.95Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.41Å
111K96.3Very high95.4Very high53 Ų5360.6 Ų60.623%0.2329%0.288CS..Hα-helixtrans-58.7-51.1174.7162.6176.8149.8-154.30111.9E55 V57 V107 E108 M109 E113 I114 V115E55-K111 HydrophobicContact CG-CD 4.24Å; E55-K111 WeakPolarHBondContact OE1-CD 3.29Å; E55-K111 WeakPolarHBondContact OE1-CE 3.32Å; E55-K111 IonicContact OE1-NZ 3.6Å; E55-K111 PolarHBondContact OE1-NZ 2.88Å; E55-K111 WeakPolarHBondContact OE2-CD 3.46Å; E55-K111 IonicContact OE2-NZ 3.46Å; E55-K111 PolarHBondContact OE2-NZ 3.32Å; V57-K111 HydrophobicContact CG1-CG 4.41Å; V57-K111 HydrophobicContact CG2-CB 3.8Å; V57-K111 HydrophobicContact CG2-CD 4.45Å; V57-K111 HydrophobicContact CG2-CG 3.93Å; V107-K111 VanDerWaalsContact O-CB 3.3Å; V107-K111 WeakPolarHBondContact O-CB 3.34Å; V107-K111 PolarHBondContact O-N 3.28Å; E108-K111 WeakPolarHBondContact OE2-CE 3.34Å; E108-K111 IonicContact OE2-NZ 2.75Å; E108-K111 PolarHBondContact OE2-NZ 3.03Å; M109-K111 PolarHBondContact O-N 2.98Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.46Å; K111-I114 PolarHBondContact O-N 2.95Å; K111-V115 WeakPolarHBondContact O-CG2 3.31Å; K111-V115 PolarHBondContact O-N 2.93Å
112R96.3Very high95.2Very high168 Ų16860.8 Ų60.863%0.63429%0.291SS*.Hα-helixtrans-58.9-40.7178.8-173.2177.3-60.2-163.1-0.3111.7E108 M109 S116E108-R112 WeakPolarHBondContact O-CB 3.44Å; E108-R112 PolarHBondContact O-N 3.09Å; E108-R112 IonicContact OE1-NH2 2.75Å; M109-R112 PolarHBondContact O-N 3.27Å; R112-S116 WeakPolarHBondContact O-CB 3.29Å; R112-S116 PolarHBondContact O-N 2.88Å
113E96.4Very high94.9Very high65 Ų6565.4 Ų65.430%0.30431%0.31SS..Hα-helixtrans-73.1-34.2179.6-167161.4-178.100112.9L79 K82 M109 A110 K111 A117L79-E113 HydrophobicContact CD1-CB 4.03Å; L79-E113 HydrophobicContact CD1-CG 3.67Å; L79-E113 WeakPolarHBondContact CD1-OE2 3.31Å; K82-E113 IonicContact NZ-OE1 3.33Å; K82-E113 PolarHBondContact NZ-OE1 3.24Å; K82-E113 IonicContact NZ-OE2 3.61Å; K82-E113 PolarHBondContact NZ-OE2 3.13Å; M109-E113 WeakPolarHBondContact O-CB 3.35Å; M109-E113 PolarHBondContact O-N 3Å; A110-E113 PolarHBondContact O-N 2.95Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.46Å; E113-A117 WeakPolarHBondContact O-CB 3.06Å; E113-A117 PolarHBondContact O-N 3.44Å
114I97.1Very high94.6Very high0 Ų062.2 Ų62.20%030%0.302CS..Hα-helixtrans-64.5-47.5170.6-69.3164.6000111V57 V59 I68 L79 I87 F98 V100 A110 K111 A117 A118V57-I114 HydrophobicContact CB-CG2 4.33Å; V57-I114 HydrophobicContact CG1-CB 4.04Å; V57-I114 HydrophobicContact CG1-CG2 3.61Å; V59-I114 HydrophobicContact CG2-CG2 3.86Å; I68-I114 HydrophobicContact CD1-CG2 4.46Å; L79-I114 HydrophobicContact CD2-CG1 3.79Å; I87-I114 HydrophobicContact CD1-CD1 4.35Å; I87-I114 HydrophobicContact CG2-CD1 4.21Å; F98-I114 HydrophobicContact CB-CD1 4.18Å; F98-I114 HydrophobicContact CD2-CG2 3.73Å; F98-I114 HydrophobicContact CE2-CG2 4.13Å; F98-I114 HydrophobicContact CG-CD1 4.33Å; F98-I114 HydrophobicContact CG-CG2 4.5Å; V100-I114 HydrophobicContact CG2-CD1 3.85Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.41Å; K111-I114 PolarHBondContact O-N 2.95Å; I114-A117 PolarHBondContact O-N 2.85Å; I114-A118 WeakPolarHBondContact O-CB 3.33Å; I114-A118 PolarHBondContact O-N 2.98Å
115V96.4Very high94.1Very high69 Ų6958.6 Ų58.642%0.41829%0.288SS..Hα-helixtrans-65.4-47.3-179.9173.90000110.9V57 K111 A117 A118 E119V57-V115 HydrophobicContact CG1-CG2 3.64Å; K111-V115 WeakPolarHBondContact O-CG2 3.31Å; K111-V115 PolarHBondContact O-N 2.93Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 2.84Å; V115-A118 WeakPolarHBondContact O-CB 3.15Å; V115-A118 PolarHBondContact O-N 3.09Å; V115-A118 VanDerWaalsContact O-N 3.12Å; V115-E119 PolarHBondContact O-N 3.01Å
116S96.5Very high93.3Very high66 Ų6656 Ų5646%0.46229%0.287SS..Hα-helixtrans-61.9-38177-178.30000112R112 H120R112-S116 WeakPolarHBondContact O-CB 3.29Å; R112-S116 PolarHBondContact O-N 2.88Å; S116-H120 WeakPolarHBondContact O-CB 3.44Å; S116-H120 PolarHBondContact O-N 3.21Å
117A95.4Very high92.2Very high25 Ų2559.1 Ų59.121%0.20731%0.31CS..Hα-helixtrans-65.3-42.8172.300000112.1I68 E113 I114 V115 H120 F121I68-A117 HydrophobicContact CG1-CB 4.11Å; E113-A117 WeakPolarHBondContact O-CB 3.06Å; E113-A117 PolarHBondContact O-N 3.44Å; I114-A117 PolarHBondContact O-N 2.85Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 2.84Å; A117-H120 PolarHBondContact O-N 2.89Å; A117-F121 HydrophobicContact CB-CD2 4.46Å; A117-F121 HydrophobicContact CB-CE2 4Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 WeakPolarHBondContact O-CD2 3.47Å; A117-F121 VanDerWaalsContact O-CG 3.29Å; A117-F121 WeakPolarHBondContact O-CG 3.38Å; A117-F121 PolarHBondContact O-N 2.9Å
118A95.5Very high90.7Very high4 Ų467.8 Ų67.83%0.03334%0.342CS..Hα-helixtrans-61.4-43.2176.800000112.3V59 I68 I114 V115 S122V59-A118 HydrophobicContact CG1-CB 3.99Å; V59-A118 HydrophobicContact CG2-CB 4.24Å; I68-A118 HydrophobicContact CD1-CB 4Å; I114-A118 WeakPolarHBondContact O-CB 3.33Å; I114-A118 PolarHBondContact O-N 2.98Å; V115-A118 WeakPolarHBondContact O-CB 3.15Å; V115-A118 PolarHBondContact O-N 3.09Å; V115-A118 VanDerWaalsContact O-N 3.12Å; A118-S122 WeakPolarHBondContact O-CB 3.43Å; A118-S122 PolarHBondContact O-N 3.47Å; A118-S122 PolarHBondContact O-OG 2.91Å
119E95.1Very high88.8Confident118 Ų11868.6 Ų68.655%0.55136%0.355SS*.Hα-helixtrans-65.4-46.6174.9-177.2177-15200111.6V115 F121 S122 M123V115-E119 PolarHBondContact O-N 3.01Å; E119-F121 PolarHBondContact O-N 3.25Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.25Å; E119-S122 WeakPolarHBondContact O-CB 3.46Å; E119-S122 PolarHBondContact O-N 3.38Å; E119-S122 VanDerWaalsContact O-N 3.07Å; E119-M123 HydrophobicContact CG-CE 4.39Å; E119-M123 WeakPolarHBondContact O-CG 3.26Å; E119-M123 PolarHBondContact O-N 2.68Å
120H93.5Very high86.4Confident96 Ų9670.7 Ų70.744%0.44436%0.361SS..Hα-helixtrans-59.8-43.3176.9175.8-101.7000112.4S116 A117 M123 I124S116-H120 WeakPolarHBondContact O-CB 3.44Å; S116-H120 PolarHBondContact O-N 3.21Å; A117-H120 PolarHBondContact O-N 2.89Å; H120-M123 PolarHBondContact O-N 2.89Å; H120-I124 WeakPolarHBondContact CE1-CD1 3.49Å; H120-I124 WeakPolarHBondContact O-CG1 3.5Å; H120-I124 PolarHBondContact O-N 3.39Å
121F93.8Very high83.9Confident30 Ų3072.9 Ų72.913%0.13238%0.379CS..Hα-helixtrans-66.2-39.5172.3-63.7-44.7000111.7E67 I68 A117 E119 M123 I124 R125E67-F121 HydrophobicContact CB-CD1 4.43Å; E67-F121 HydrophobicContact CB-CD2 3.91Å; E67-F121 HydrophobicContact CB-CE2 4.07Å; E67-F121 HydrophobicContact CB-CG 4.15Å; E67-F121 HydrophobicContact CB-CZ 4.44Å; E67-F121 WeakPolarHBondContact OE2-CB 3.37Å; E67-F121 WeakPolarHBondContact OE2-CD1 3.45Å; E67-F121 WeakPolarHBondContact OE2-CG 3.32Å; I68-F121 HydrophobicContact CG1-CD2 3.87Å; I68-F121 HydrophobicContact CG1-CE2 3.71Å; A117-F121 HydrophobicContact CB-CD2 4.46Å; A117-F121 HydrophobicContact CB-CE2 4Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 WeakPolarHBondContact O-CD2 3.47Å; A117-F121 VanDerWaalsContact O-CG 3.29Å; A117-F121 WeakPolarHBondContact O-CG 3.38Å; A117-F121 PolarHBondContact O-N 2.9Å; E119-F121 PolarHBondContact O-N 3.25Å; F121-M123 VanDerWaalsContact C-N 3.33Å; F121-M123 PolarHBondContact O-N 3.08Å; F121-I124 PolarHBondContact O-N 2.9Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 VanDerWaalsContact O-CD 3.26Å; F121-R125 WeakPolarHBondContact O-CD 3.39Å; F121-R125 VanDerWaalsContact O-CG 3.29Å; F121-R125 WeakPolarHBondContact O-CG 3.11Å; F121-R125 PolarHBondContact O-N 3.29Å
122S92.6Very high81.5Confident36 Ų3672.9 Ų72.925%0.25240%0.395SS..Hα-helixtrans-58.5-42.1174.1-59.40000111.9H64 A118 E119 R125 A126H64-S122 PolarHBondContact NE2-OG 2.93Å; A118-S122 WeakPolarHBondContact O-CB 3.43Å; A118-S122 PolarHBondContact O-N 3.47Å; A118-S122 PolarHBondContact O-OG 2.91Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.25Å; E119-S122 WeakPolarHBondContact O-CB 3.46Å; E119-S122 PolarHBondContact O-N 3.38Å; E119-S122 VanDerWaalsContact O-N 3.07Å; S122-R125 PolarHBondContact O-N 3.46Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.2Å
123M87.9Confident79.4Confident108 Ų10868.3 Ų68.353%0.53240%0.4SS..Hα-helixtrans-66.2-42.4174.5-70.2-169.5-7200112.6E119 H120 F121 R125 A126 S127E119-M123 HydrophobicContact CG-CE 4.39Å; E119-M123 WeakPolarHBondContact O-CG 3.26Å; E119-M123 PolarHBondContact O-N 2.68Å; H120-M123 PolarHBondContact O-N 2.89Å; F121-M123 VanDerWaalsContact C-N 3.33Å; F121-M123 PolarHBondContact O-N 3.08Å; M123-R125 PolarHBondContact O-N 2.97Å; M123-A126 PolarHBondContact O-N 3.45Å; M123-S127 WeakPolarHBondContact O-CB 3.44Å; M123-S127 PolarHBondContact O-N 2.73Å; M123-S127 PolarHBondContact O-OG 2.85Å
124I87.6Confident77.3Confident53 Ų5371.9 Ų71.927%0.27243%0.428SS..Hα-helixtrans-64.6-26.5175.7-73.1175.3000112H120 F121 S127 R128H120-I124 WeakPolarHBondContact CE1-CD1 3.49Å; H120-I124 WeakPolarHBondContact O-CG1 3.5Å; H120-I124 PolarHBondContact O-N 3.39Å; F121-I124 PolarHBondContact O-N 2.9Å; I124-S127 WeakPolarHBondContact CA-OG 3.35Å; I124-S127 PolarHBondContact O-OG 2.87Å; I124-R128 VanDerWaalsContact CG2-NH2 3.35Å; I124-R128 VanDerWaalsContact O-CD 3.32Å; I124-R128 WeakPolarHBondContact O-CD 3.26Å; I124-R128 VanDerWaalsContact O-CG 3.24Å; I124-R128 WeakPolarHBondContact O-CG 3.46Å; I124-R128 PolarHBondContact O-NE 2.94Å; I124-R128 VanDerWaalsContact O-NE 3.16Å
125R82.6Confident74.7Confident44 Ų4475.9 Ų75.917%0.16647%0.47CS..Hα-helixtrans-82.2-47.9173.8-72.4154.3167.9-93.8-15.4111.3E63 H64 E67 F121 S122 M123 S127 R128 C129E63-R125 IonicContact OE1-CZ 2.69Å; E63-R125 IonicContact OE1-NH1 2.65Å; E63-R125 PolarHBondContact OE1-NH1 2.75Å; E63-R125 IonicContact OE1-NH2 3.24Å; E63-R125 PolarHBondContact OE1-NH2 3.08Å; E63-R125 IonicContact OE2-CZ 3.26Å; E63-R125 IonicContact OE2-NH1 3.42Å; E63-R125 PolarHBondContact OE2-NH1 3.37Å; E63-R125 IonicContact OE2-NH2 3.83Å; H64-R125 WeakPolarHBondContact NE2-CD 3.14Å; E67-R125 VanDerWaalsContact CD-NH2 3.26Å; E67-R125 IonicContact OE1-CZ 3.72Å; E67-R125 IonicContact OE1-NE 3.6Å; E67-R125 PolarHBondContact OE1-NE 3.14Å; E67-R125 IonicContact OE1-NH2 2.73Å; E67-R125 PolarHBondContact OE1-NH2 2.89Å; E67-R125 IonicContact OE2-CZ 2.73Å; E67-R125 IonicContact OE2-NE 2.72Å; E67-R125 PolarHBondContact OE2-NE 2.93Å; E67-R125 IonicContact OE2-NH2 2.85Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 VanDerWaalsContact O-CD 3.26Å; F121-R125 WeakPolarHBondContact O-CD 3.39Å; F121-R125 VanDerWaalsContact O-CG 3.29Å; F121-R125 WeakPolarHBondContact O-CG 3.11Å; F121-R125 PolarHBondContact O-N 3.29Å; S122-R125 PolarHBondContact O-N 3.46Å; M123-R125 PolarHBondContact O-N 2.97Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.4Å; R125-R128 CarbonylContact O-C 3.54Å; R125-R128 PolarHBondContact O-N 3.23Å; R125-C129 WeakPolarHBondContact O-CB 3.24Å; R125-C129 PolarHBondContact O-N 3.42Å; R125-C129 PolarHBondContact O-SG 3.48Å; R125-C129 VanDerWaalsContact O-SG 3.37Å
126A76.4Confident71.8Confident61 Ų6176.6 Ų76.650%0.50449%0.491SS..Hα-helixtrans-56.8-43.4177.600000112.4S122 M123 R128 C129 K130S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.2Å; M123-A126 PolarHBondContact O-N 3.45Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 2.86Å; A126-C129 PolarHBondContact O-N 2.85Å; A126-K130 WeakPolarHBondContact O-CB 3.42Å; A126-K130 PolarHBondContact O-N 3.17Å
127S71.8Confident68.9Low82 Ų8277.5 Ų77.557%0.57351%0.511SS*.Hα-helixtrans-64.7-29.7175.549.90000113.9M123 I124 R125M123-S127 WeakPolarHBondContact O-CB 3.44Å; M123-S127 PolarHBondContact O-N 2.73Å; M123-S127 PolarHBondContact O-OG 2.85Å; I124-S127 WeakPolarHBondContact CA-OG 3.35Å; I124-S127 PolarHBondContact O-OG 2.87Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.4Å
128R66Low66.1Low181 Ų18180 Ų8068%0.68354%0.54SS*.Hα-helixtrans-82.2-39.5173.2-66.4173.2-154-115.83.7112.5I124 R125 A126 K130 A131I124-R128 VanDerWaalsContact CG2-NH2 3.35Å; I124-R128 VanDerWaalsContact O-CD 3.32Å; I124-R128 WeakPolarHBondContact O-CD 3.26Å; I124-R128 VanDerWaalsContact O-CG 3.24Å; I124-R128 WeakPolarHBondContact O-CG 3.46Å; I124-R128 PolarHBondContact O-NE 2.94Å; I124-R128 VanDerWaalsContact O-NE 3.16Å; R125-R128 CarbonylContact O-C 3.54Å; R125-R128 PolarHBondContact O-N 3.23Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 2.86Å; R128-K130 VanDerWaalsContact C-N 3.31Å; R128-K130 PolarHBondContact O-N 3.03Å; R128-A131 WeakPolarHBondContact O-CB 3.49Å; R128-A131 PolarHBondContact O-N 3.49Å; R128-A131 VanDerWaalsContact O-N 3.09Å
129C53.6Low63.2Low86 Ų8685.9 Ų85.958%0.58158%0.58SS**Hα-helixtrans-75.3-18.6179.5-650000113R125 A126 A131 G132R125-C129 WeakPolarHBondContact O-CB 3.24Å; R125-C129 PolarHBondContact O-N 3.42Å; R125-C129 PolarHBondContact O-SG 3.48Å; R125-C129 VanDerWaalsContact O-SG 3.37Å; A126-C129 PolarHBondContact O-N 2.85Å; C129-A131 PolarHBondContact O-N 2.67Å; C129-G132 CarbonylContact O-C 3.55Å; C129-G132 PolarHBondContact O-N 2.91Å; C129-G132 VanDerWaalsContact O-O 3.06Å
130K47.1Very low60.6Low139 Ų13988.2 Ų88.260%0.60460%0.595SS**THydrogen-bonded Turntrans-59.3-21.5165.1-16763.2173.8-177.50112.1A126 R128 P147A126-K130 WeakPolarHBondContact O-CB 3.42Å; A126-K130 PolarHBondContact O-N 3.17Å; R128-K130 VanDerWaalsContact C-N 3.31Å; R128-K130 PolarHBondContact O-N 3.03Å; K130-P147 HydrophobicContact CD-CB 4.2Å; K130-P147 HydrophobicContact CG-CB 4.21Å; K130-P147 WeakPolarHBondContact CG-O 3.42Å; K130-P147 WeakPolarHBondContact O-CD 3.2Å; K130-P147 WeakPolarHBondContact O-CG 3.41Å
131A43.3Very low58.5Low46 Ų4689.7 Ų89.738%0.3861%0.614SS.*THydrogen-bonded Turntrans-98.318.6171.400000114.5R128 C129 L146R128-A131 WeakPolarHBondContact O-CB 3.49Å; R128-A131 PolarHBondContact O-N 3.49Å; R128-A131 VanDerWaalsContact O-N 3.09Å; C129-A131 PolarHBondContact O-N 2.67Å; A131-L146 HydrophobicContact CB-CD1 4.3Å
132G47.1Very low55.8Low54 Ų5491.2 Ų91.256%0.55764%0.638SS**  trans-176112173.900000114.2C129C129-G132 CarbonylContact O-C 3.55Å; C129-G132 PolarHBondContact O-N 2.91Å; C129-G132 VanDerWaalsContact O-O 3.06Å
133G52Low53.7Low72 Ų7294.4 Ų94.474%0.74266%0.658SS**  trans-137.3173.8175.700000113.1
134P51.6Low51.6Low139 Ų13994.6 Ų94.690%0.90367%0.667SS**  trans-132.6152.6149.337.1-25.4000112.1
135G43.3Very low49.6Very low84 Ų8497.5 Ų97.587%0.86668%0.679SS**  cis166.9160.4-6.700000111.5
136G35.3Very low48.1Very low85 Ų8598 Ų9888%0.87669%0.685SS**  trans160126.5170.500000115.7
137G35.6Very low47Very low85 Ų8598.5 Ų98.588%0.87668%0.683SS**  trans99.986.2165.200000116.2
138G36.4Very low46.7Very low78 Ų7897.2 Ų97.280%0.80468%0.682SS**  trans-73.9163.1-166.200000119.9
139S34.4Very low47Very low126 Ų12692.2 Ų92.288%0.88167%0.667SS**  trans-163.5167.4147.7-83.20000109.9
140L40.9Very low48.5Very low167 Ų16789.9 Ų89.987%0.87465%0.65SS**  trans-88.8-177.4-175.5-60.2166.2000111.5
141P48.8Very low50.5Low127 Ų12786.2 Ų86.283%0.82564%0.639SS**  -125.2125.7-88.533.7-15.6000113
142G36.8Very low52.8Low62 Ų6286.2 Ų86.264%0.63963%0.632SS**  trans-135.4166.8170.800000111.8
143P48.3Very low54.8Low103 Ų10390.5 Ų90.567%0.66964%0.638SS**  trans-54.3135.9173.6-24.534.8000111H145P143-H145 PolarHBondContact O-N 3.4Å
144P45.1Very low56.8Low113 Ų11387.1 Ų87.173%0.73460%0.603SS**  trans-72.597.6-170.628.1-34.6000111.5L146P144-L146 PolarHBondContact O-N 2.93Å
145H45.3Very low58.6Low113 Ų11389.3 Ų89.352%0.52359%0.593SS.*  trans-62.198.6172.7175.5-73.6000110.6P143 Q149P143-H145 PolarHBondContact O-N 3.4Å; H145-Q149 PolarHBondContact NE2-O 3.49Å
146L50.5Low60.9Low55 Ų5585.6 Ų85.629%0.28855%0.554SS.*  trans-69.5135.1-176.8-61.8174.9000110.8A131 P144 G148 Q149A131-L146 HydrophobicContact CB-CD1 4.3Å; P144-L146 PolarHBondContact O-N 2.93Å; L146-G148 PolarHBondContact O-N 2.85Å; L146-Q149 HydrophobicContact CB-CB 4.36Å; L146-Q149 PolarHBondContact O-N 3.44Å
147P53.5Low63.5Low72 Ų7284.7 Ų84.747%0.46853%0.533SS..THydrogen-bonded Turntrans-60.5103.5177.5-22.832.4000112.3K130K130-P147 HydrophobicContact CD-CB 4.2Å; K130-P147 HydrophobicContact CG-CB 4.21Å; K130-P147 WeakPolarHBondContact CG-O 3.42Å; K130-P147 WeakPolarHBondContact O-CD 3.2Å; K130-P147 WeakPolarHBondContact O-CG 3.41Å
148G66.3Low66Low54 Ų5487.4 Ų87.456%0.55752%0.517SS*.THydrogen-bonded Turntrans111.9-2.6-174.400000114.9L146L146-G148 PolarHBondContact O-N 2.85Å
149Q71.4Confident68.4Low76 Ų7695 Ų9536%0.35552%0.522SS..  trans-114.4120.9161.9-64.2-176.74.500109.2H145 L146 T197 G198H145-Q149 PolarHBondContact NE2-O 3.49Å; L146-Q149 HydrophobicContact CB-CB 4.36Å; L146-Q149 PolarHBondContact O-N 3.44Å; Q149-T197 HydrophobicContact CB-CG2 4.49Å; Q149-G198 CarbonylContact C-O 3.57Å; Q149-G198 WeakPolarHBondContact CA-O 3.43Å
150T85.4Confident71Confident38 Ų3889.4 Ų89.423%0.23348%0.482CS..EExtended strand (participates in β ladder)trans-87.2157.9169.9-168.40000110.1I152 T197 G198 P200 V203T150-I152 HydrophobicContact CG2-CG1 4.33Å; T150-T197 WeakPolarHBondContact O-CA 3.38Å; T150-G198 PolarHBondContact N-O 3.09Å; T150-G198 PolarHBondContact O-N 3.33Å; T150-G198 VanDerWaalsContact O-N 3.14Å; T150-P200 HydrophobicContact CG2-CB 4.07Å; T150-V203 HydrophobicContact CG2-CB 3.77Å; T150-V203 HydrophobicContact CG2-CG1 3.98Å; T150-V203 HydrophobicContact CG2-CG2 3.77Å
151T88.4Confident73.3Confident61 Ų6182.7 Ų82.737%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-125.5105.8177540000108.9V196 T197T151-V196 WeakPolarHBondContact CA-O 3.31Å; T151-T197 HydrophobicContact CG2-CG2 3.95Å
152I91.4Very high75.3Confident46 Ų4679.2 Ų79.224%0.23644%0.435CS..EExtended strand (participates in β ladder)trans-107.8138.7179.6-62.8-171.7000110.3T150 V154 V196 V203T150-I152 HydrophobicContact CG2-CG1 4.33Å; I152-V154 HydrophobicContact CG2-CG2 4.35Å; I152-V196 PolarHBondContact N-O 3.21Å; I152-V196 PolarHBondContact O-N 2.78Å; I152-V203 HydrophobicContact CB-CG1 3.63Å; I152-V203 HydrophobicContact CD1-CG1 3.79Å; I152-V203 HydrophobicContact CG1-CG1 3.66Å
153Q91Very high77.8Confident144 Ų14480.2 Ų80.267%0.67343%0.426SS*.EExtended strand (participates in β ladder)trans-96109.9176.6-74.6-175.427.700110.3V193 F194Q153-V193 HydrophobicContact CB-CG1 3.58Å; Q153-V193 HydrophobicContact CG-CG1 3.88Å; Q153-F194 WeakPolarHBondContact CA-O 3.49Å
154V92.1Very high79.9Confident1 Ų175.3 Ų75.31%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-98.7103.6179.8-175.70000109.1I152 V156 F194 V196 R207 I210I152-V154 HydrophobicContact CG2-CG2 4.35Å; V154-V156 HydrophobicContact CG1-CG1 4.31Å; V154-F194 HydrophobicContact CB-CB 4.41Å; V154-F194 PolarHBondContact N-O 3.44Å; V154-F194 PolarHBondContact O-N 3.12Å; V154-V196 HydrophobicContact CB-CG2 4.46Å; V154-V196 HydrophobicContact CG2-CG2 3.76Å; V154-R207 HydrophobicContact CG1-CG 4.33Å; V154-R207 HydrophobicContact CG2-CB 3.85Å; V154-R207 HydrophobicContact CG2-CG 3.79Å; V154-I210 HydrophobicContact CG1-CB 4.44Å; V154-I210 HydrophobicContact CG1-CD1 4.35Å; V154-I210 HydrophobicContact CG1-CG2 4.02Å
155R90.8Very high82.2Confident185 Ų18571.4 Ų71.470%0.69837%0.368SS*.EExtended strand (participates in β ladder)trans-82.5130.8179.4-167178.7-158.6-171.17.7110.5D191 V193R155-D191 IonicContact NH2-OD1 3.93Å; R155-V193 HydrophobicContact CB-CG2 4.23Å; R155-V193 HydrophobicContact CG-CG2 4.05Å
156V90.4Very high84.4Confident7 Ų766.7 Ų66.74%0.04235%0.349CS..  trans-131.1156.4178.9-49.10000111.3V154 V160 V161 P192 F194 I210 I214V154-V156 HydrophobicContact CG1-CG1 4.31Å; V156-V160 HydrophobicContact CB-CG2 4.14Å; V156-V160 HydrophobicContact CG2-CG2 4.32Å; V156-V161 HydrophobicContact CG2-CB 4.48Å; V156-V161 HydrophobicContact CG2-CG2 3.51Å; V156-P192 HydrophobicContact CG2-CB 4.44Å; V156-P192 PolarHBondContact N-O 3.02Å; V156-P192 WeakPolarHBondContact O-CB 3.48Å; V156-P192 WeakPolarHBondContact O-CG 3.48Å; V156-F194 HydrophobicContact CG1-CD2 4.01Å; V156-F194 HydrophobicContact CG1-CE2 4.08Å; V156-F194 HydrophobicContact CG2-CD2 4.2Å; V156-F194 HydrophobicContact CG2-CE2 3.72Å; V156-I210 HydrophobicContact CG1-CG2 3.99Å; V156-I214 HydrophobicContact CB-CD1 3.82Å; V156-I214 HydrophobicContact CG1-CD1 3.52Å
157P90.3Very high86.4Confident66 Ų6669.2 Ų69.243%0.42937%0.369SS..  trans-62.9137.6171.8-24.233.8000112.8R159 V160 V161P157-R159 PolarHBondContact O-N 3.07Å; P157-V160 HydrophobicContact CB-CG2 4.2Å; P157-V160 HydrophobicContact CG-CG2 4.34Å; P157-V160 VanDerWaalsContact O-CG2 3.23Å; P157-V160 WeakPolarHBondContact O-CG2 3.32Å; P157-V160 PolarHBondContact O-N 2.82Å; P157-V161 PolarHBondContact O-N 3.22Å
158Y88.6Confident88.1Confident141 Ų14175.6 Ų75.655%0.55339%0.389SS*.Hα-helixtrans-47.4-37.3178-78.2-82.1000114V160 K190 P192Y158-V160 PolarHBondContact O-N 3.41Å; Y158-K190 WeakPolarHBondContact CE1-O 3.44Å; Y158-K190 PolarHBondContact OH-O 3.2Å; Y158-P192 HydrophobicContact CD1-CB 4.05Å; Y158-P192 HydrophobicContact CD1-CG 4.3Å; Y158-P192 HydrophobicContact CD2-CB 4.49Å; Y158-P192 HydrophobicContact CD2-CG 3.92Å; Y158-P192 HydrophobicContact CE1-CB 4.21Å; Y158-P192 HydrophobicContact CE1-CG 4.25Å; Y158-P192 HydrophobicContact CE2-CG 3.87Å; Y158-P192 HydrophobicContact CG-CB 4.21Å; Y158-P192 HydrophobicContact CG-CG 4.15Å
159R86.8Confident89.3Confident239 Ų23973.5 Ų73.590%0.90237%0.368SS*.Hα-helixtrans-62.2-27.2-180-63.4-175.6-176.7179.92.5113.6P157P157-R159 PolarHBondContact O-N 3.07Å
160V89.1Confident90.4Very high8 Ų872.2 Ų72.25%0.04837%0.37CS..Hα-helixtrans-104.5-10.8-175-55.40000114V156 P157 Y158 G162 L163 V164 I214 T218V156-V160 HydrophobicContact CB-CG2 4.14Å; V156-V160 HydrophobicContact CG2-CG2 4.32Å; P157-V160 HydrophobicContact CB-CG2 4.2Å; P157-V160 HydrophobicContact CG-CG2 4.34Å; P157-V160 VanDerWaalsContact O-CG2 3.23Å; P157-V160 WeakPolarHBondContact O-CG2 3.32Å; P157-V160 PolarHBondContact O-N 2.82Å; Y158-V160 PolarHBondContact O-N 3.41Å; V160-G162 PolarHBondContact O-N 3.33Å; V160-L163 HydrophobicContact CB-CD1 4.39Å; V160-L163 HydrophobicContact CG1-CD1 4.26Å; V160-L163 WeakPolarHBondContact O-CA 3.09Å; V160-L163 WeakPolarHBondContact O-CB 3.43Å; V160-L163 PolarHBondContact O-N 3Å; V160-V164 PolarHBondContact O-N 3.19Å; V160-I214 HydrophobicContact CB-CG1 4.29Å; V160-I214 HydrophobicContact CB-CG2 4.27Å; V160-I214 HydrophobicContact CG1-CG2 4.21Å; V160-I214 HydrophobicContact CG2-CD1 3.89Å; V160-I214 HydrophobicContact CG2-CG1 3.83Å; V160-I214 HydrophobicContact CG2-CG2 3.9Å; V160-T218 HydrophobicContact CG1-CG2 4.27Å
161V89.3Confident90.9Very high26 Ų2670.6 Ų70.616%0.15836%0.36CS..Hα-helixtrans-49.8-46.5174.3178.80000111.1V156 P157 L163 V164 V165 P192 F194V156-V161 HydrophobicContact CG2-CB 4.48Å; V156-V161 HydrophobicContact CG2-CG2 3.51Å; P157-V161 PolarHBondContact O-N 3.22Å; V161-L163 VanDerWaalsContact C-N 3.29Å; V161-L163 PolarHBondContact O-N 3.03Å; V161-V164 PolarHBondContact O-N 3.26Å; V161-V165 HydrophobicContact CG1-CG2 4.41Å; V161-V165 WeakPolarHBondContact O-CG2 3.36Å; V161-V165 PolarHBondContact O-N 2.84Å; V161-P192 HydrophobicContact CG2-CB 3.7Å; V161-F194 HydrophobicContact CG1-CZ 4.12Å
162G90.1Very high91.1Very high54 Ų5467.9 Ų67.956%0.55734%0.343SS*.Hα-helixtrans-64.7-27.9178.600000114.5V160 G166V160-G162 PolarHBondContact O-N 3.33Å; G162-G166 PolarHBondContact O-N 3.1Å
163L90.5Very high91.3Very high83 Ų8372 Ų7244%0.43536%0.36SS..Hα-helixtrans-77-41.9176.7-56.3177.9000111.2V160 V161 G166V160-L163 HydrophobicContact CB-CD1 4.39Å; V160-L163 HydrophobicContact CG1-CD1 4.26Å; V160-L163 WeakPolarHBondContact O-CA 3.09Å; V160-L163 WeakPolarHBondContact O-CB 3.43Å; V160-L163 PolarHBondContact O-N 3Å; V161-L163 VanDerWaalsContact C-N 3.29Å; V161-L163 PolarHBondContact O-N 3.03Å; L163-G166 PolarHBondContact O-N 2.99Å
164V92.3Very high91.5Very high0 Ų070.1 Ų70.10%035%0.346CS..Hα-helixtrans-65.4-40.9175.91750000111.4V160 V161 T171 I172 F194 I210 I214V160-V164 PolarHBondContact O-N 3.19Å; V161-V164 PolarHBondContact O-N 3.26Å; V164-T171 WeakPolarHBondContact O-CB 3.25Å; V164-T171 WeakPolarHBondContact O-CG2 3.46Å; V164-I172 HydrophobicContact CG1-CD1 4.05Å; V164-I172 PolarHBondContact O-N 3.48Å; V164-F194 HydrophobicContact CB-CE2 4.14Å; V164-F194 HydrophobicContact CB-CZ 4.01Å; V164-F194 HydrophobicContact CG1-CE1 4.37Å; V164-F194 HydrophobicContact CG1-CE2 3.68Å; V164-F194 HydrophobicContact CG1-CZ 3.58Å; V164-I210 HydrophobicContact CG1-CG1 4.27Å; V164-I210 HydrophobicContact CG1-CG2 4.09Å; V164-I210 HydrophobicContact CG2-CG2 4.31Å; V164-I214 HydrophobicContact CG2-CD1 3.9Å; V164-I214 HydrophobicContact CG2-CG1 3.47Å; V164-I214 VanDerWaalsContact CG2-CG1 3.47Å
165V93.3Very high91.6Very high31 Ų3170 Ų7019%0.18835%0.346CS..Hα-helixtrans-67.5-49.6172.2175.30000110.4V161 G169 T171 I172 T185 F194V161-V165 HydrophobicContact CG1-CG2 4.41Å; V161-V165 WeakPolarHBondContact O-CG2 3.36Å; V161-V165 PolarHBondContact O-N 2.84Å; V165-G169 CarbonylContact O-C 3.31Å; V165-G169 VanDerWaalsContact O-CA 3.23Å; V165-G169 WeakPolarHBondContact O-CA 3.48Å; V165-T171 WeakPolarHBondContact O-CB 3.45Å; V165-T171 PolarHBondContact O-N 3.29Å; V165-T171 VanDerWaalsContact O-N 3.13Å; V165-I172 HydrophobicContact CB-CG2 4.46Å; V165-I172 HydrophobicContact CG1-CG2 4.28Å; V165-I172 PolarHBondContact O-N 3.28Å; V165-T185 HydrophobicContact CG2-CG2 3.54Å; V165-F194 HydrophobicContact CG2-CE1 4.13Å; V165-F194 HydrophobicContact CG2-CZ 4.16Å
166G90.9Very high91.8Very high13 Ų1363 Ų6313%0.13432%0.321CS..  trans72.1173.7-178.200000114G162 L163 K168 G169G162-G166 PolarHBondContact O-N 3.1Å; L163-G166 PolarHBondContact O-N 2.99Å; G166-K168 PolarHBondContact O-N 2.9Å; G166-G169 PolarHBondContact O-N 3.41Å
167P91.8Very high92Very high108 Ų10869.8 Ų69.870%0.70135%0.352SS*.G310 helixtrans-59.2127.4-177.524.5-34000111.2G169 A170P167-G169 PolarHBondContact O-N 2.91Å; P167-G169 VanDerWaalsContact O-N 3.09Å; P167-A170 WeakPolarHBondContact O-CB 3.19Å; P167-A170 PolarHBondContact O-N 3.37Å
168K89.9Confident92.2Very high206 Ų20671.3 Ų71.390%0.89635%0.354SS*.G310 helixtrans54.222.2-175.7-56.1-175.9179.2-177.90114.8G166 A170 K173G166-K168 PolarHBondContact O-N 2.9Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-K173 PolarHBondContact O-NZ 3.42Å
169G92Very high92.5Very high10 Ų1064.6 Ų64.610%0.10333%0.327CS..G310 helixtrans75.514.8-174.700000114.3V165 G166 P167 T171 I172 K173V165-G169 CarbonylContact O-C 3.31Å; V165-G169 VanDerWaalsContact O-CA 3.23Å; V165-G169 WeakPolarHBondContact O-CA 3.48Å; G166-G169 PolarHBondContact O-N 3.41Å; P167-G169 PolarHBondContact O-N 2.91Å; P167-G169 VanDerWaalsContact O-N 3.09Å; G169-T171 VanDerWaalsContact C-N 3.29Å; G169-T171 PolarHBondContact O-N 3.25Å; G169-I172 PolarHBondContact O-N 3.28Å; G169-K173 VanDerWaalsContact O-CB 3.29Å; G169-K173 WeakPolarHBondContact O-CB 3.48Å; G169-K173 VanDerWaalsContact O-CG 3.25Å; G169-K173 WeakPolarHBondContact O-CG 3.13Å; G169-K173 PolarHBondContact O-N 2.93Å
170A94.9Very high92.8Very high49 Ų4960 Ų6041%0.40532%0.316SS..Hα-helixtrans-66.4-25.3-172.100000114.2P167 K168 R174P167-A170 WeakPolarHBondContact O-CB 3.19Å; P167-A170 PolarHBondContact O-N 3.37Å; K168-A170 VanDerWaalsContact C-N 3.31Å; A170-R174 PolarHBondContact O-N 2.9Å
171T94Very high93.1Very high4 Ų460.1 Ų60.13%0.02532%0.317CS..Hα-helixtrans-74.8-57.7173.4-64.20000110V164 V165 G169 K173 R174 I175 H213V164-T171 WeakPolarHBondContact O-CB 3.25Å; V164-T171 WeakPolarHBondContact O-CG2 3.46Å; V165-T171 WeakPolarHBondContact O-CB 3.45Å; V165-T171 PolarHBondContact O-N 3.29Å; V165-T171 VanDerWaalsContact O-N 3.13Å; G169-T171 VanDerWaalsContact C-N 3.29Å; G169-T171 PolarHBondContact O-N 3.25Å; T171-K173 VanDerWaalsContact C-N 3.25Å; T171-K173 PolarHBondContact O-N 3.18Å; T171-R174 WeakPolarHBondContact O-CA 3.49Å; T171-R174 VanDerWaalsContact O-CB 3.31Å; T171-R174 WeakPolarHBondContact O-CB 3.46Å; T171-R174 PolarHBondContact O-N 2.88Å; T171-I175 HydrophobicContact CG2-CD1 4.07Å; T171-I175 PolarHBondContact O-N 2.89Å; T171-I175 VanDerWaalsContact O-N 3.08Å; T171-H213 WeakPolarHBondContact CG2-CE1 3.35Å; T171-H213 VanDerWaalsContact CG2-NE2 3.31Å; T171-H213 WeakPolarHBondContact CG2-NE2 3.19Å
172I94.5Very high93.4Very high5 Ų566.1 Ų66.13%0.02634%0.337CS..Hα-helixtrans-66.4-27.1-173.9-163.957.9000113V164 V165 G169 I175 Q176 I183V164-I172 HydrophobicContact CG1-CD1 4.05Å; V164-I172 PolarHBondContact O-N 3.48Å; V165-I172 HydrophobicContact CB-CG2 4.46Å; V165-I172 HydrophobicContact CG1-CG2 4.28Å; V165-I172 PolarHBondContact O-N 3.28Å; G169-I172 PolarHBondContact O-N 3.28Å; I172-I175 HydrophobicContact CD1-CB 4.46Å; I172-I175 HydrophobicContact CD1-CD1 4.17Å; I172-Q176 WeakPolarHBondContact O-CB 3.4Å; I172-Q176 VanDerWaalsContact O-CG 3.31Å; I172-Q176 WeakPolarHBondContact O-CG 3.41Å; I172-Q176 PolarHBondContact O-N 2.96Å; I172-Q176 VanDerWaalsContact O-N 3.09Å; I172-Q176 PolarHBondContact O-NE2 2.75Å; I172-I183 HydrophobicContact CD1-CB 4.28Å; I172-I183 HydrophobicContact CD1-CD1 3.75Å; I172-I183 HydrophobicContact CD1-CG2 3.97Å; I172-I183 HydrophobicContact CG1-CB 4.3Å; I172-I183 HydrophobicContact CG1-CG2 4.18Å
173K95.1Very high93.6Very high132 Ų13263.9 Ų63.957%0.57431%0.312SS*.Hα-helixtrans-68.5-35169.4-74170.8179.4167.60112.7K168 G169 T171 Q177K168-K173 PolarHBondContact O-NZ 3.42Å; G169-K173 VanDerWaalsContact O-CB 3.29Å; G169-K173 WeakPolarHBondContact O-CB 3.48Å; G169-K173 VanDerWaalsContact O-CG 3.25Å; G169-K173 WeakPolarHBondContact O-CG 3.13Å; G169-K173 PolarHBondContact O-N 2.93Å; T171-K173 VanDerWaalsContact C-N 3.25Å; T171-K173 PolarHBondContact O-N 3.18Å; K173-Q177 WeakPolarHBondContact O-CB 3.48Å; K173-Q177 PolarHBondContact O-N 3.09Å
174R94.2Very high93.7Very high104 Ų10462.6 Ų62.639%0.39231%0.308SS..Hα-helixtrans-66.9-46.3175.3-162.4-159.1-63.596.64.6110.8A170 T171 Q176 Q177 Q178A170-R174 PolarHBondContact O-N 2.9Å; T171-R174 WeakPolarHBondContact O-CA 3.49Å; T171-R174 VanDerWaalsContact O-CB 3.31Å; T171-R174 WeakPolarHBondContact O-CB 3.46Å; T171-R174 PolarHBondContact O-N 2.88Å; R174-Q176 PolarHBondContact O-N 2.73Å; R174-Q177 PolarHBondContact O-N 3.35Å; R174-Q177 VanDerWaalsContact O-N 3.1Å; R174-Q178 HydrophobicContact CG-CG 4.33Å; R174-Q178 WeakPolarHBondContact O-CB 3.48Å; R174-Q178 WeakPolarHBondContact O-CG 3.26Å; R174-Q178 PolarHBondContact O-N 2.95Å
175I94.8Very high93.6Very high0 Ų065.5 Ų65.50%033%0.326CS..Hα-helixtrans-57.5-50.9176.9-59.5173.9000109.8T171 I172 Q177 Q178 T179 I183 A206 E209 I210T171-I175 HydrophobicContact CG2-CD1 4.07Å; T171-I175 PolarHBondContact O-N 2.89Å; T171-I175 VanDerWaalsContact O-N 3.08Å; I172-I175 HydrophobicContact CD1-CB 4.46Å; I172-I175 HydrophobicContact CD1-CD1 4.17Å; I175-Q177 VanDerWaalsContact C-N 3.28Å; I175-Q177 PolarHBondContact O-N 2.8Å; I175-Q178 PolarHBondContact O-N 3.27Å; I175-T179 WeakPolarHBondContact O-CB 3.29Å; I175-T179 PolarHBondContact O-N 3.33Å; I175-T179 PolarHBondContact O-OG1 2.93Å; I175-I183 HydrophobicContact CG2-CD1 4.03Å; I175-A206 HydrophobicContact CG2-CB 4.43Å; I175-E209 HydrophobicContact CD1-CG 4.5Å; I175-E209 HydrophobicContact CG1-CG 4.09Å; I175-E209 HydrophobicContact CG2-CB 4.15Å; I175-E209 HydrophobicContact CG2-CG 4.29Å; I175-I210 HydrophobicContact CD1-CG1 4.1Å
176Q94.6Very high93.3Very high38 Ų3865.2 Ų65.218%0.17833%0.325CS..Hα-helixtrans-53.6-42.4174-78.6172.490.100112.8I172 R174 H180 T181 I183I172-Q176 WeakPolarHBondContact O-CB 3.4Å; I172-Q176 VanDerWaalsContact O-CG 3.31Å; I172-Q176 WeakPolarHBondContact O-CG 3.41Å; I172-Q176 PolarHBondContact O-N 2.96Å; I172-Q176 VanDerWaalsContact O-N 3.09Å; I172-Q176 PolarHBondContact O-NE2 2.75Å; R174-Q176 PolarHBondContact O-N 2.73Å; Q176-H180 VanDerWaalsContact O-CA 3.25Å; Q176-H180 WeakPolarHBondContact O-CA 3.47Å; Q176-H180 PolarHBondContact O-N 2.72Å; Q176-T181 WeakPolarHBondContact CA-O 3.42Å; Q176-T181 VanDerWaalsContact CB-O 3.3Å; Q176-T181 WeakPolarHBondContact CB-O 3.34Å; Q176-T181 WeakPolarHBondContact CG-O 3.09Å; Q176-T181 PolarHBondContact O-N 3.21Å; Q176-I183 HydrophobicContact CG-CB 3.78Å; Q176-I183 HydrophobicContact CG-CD1 3.75Å; Q176-I183 HydrophobicContact CG-CG1 3.58Å
177Q95.4Very high93Very high148 Ų14867.2 Ų67.269%0.69234%0.337SS*.Hα-helixtrans-73.7-36.7-179.3-170.3174.813.400113.7K173 R174 I175 H180K173-Q177 WeakPolarHBondContact O-CB 3.48Å; K173-Q177 PolarHBondContact O-N 3.09Å; R174-Q177 PolarHBondContact O-N 3.35Å; R174-Q177 VanDerWaalsContact O-N 3.1Å; I175-Q177 VanDerWaalsContact C-N 3.28Å; I175-Q177 PolarHBondContact O-N 2.8Å; Q177-H180 PolarHBondContact O-CE1 2.81Å; Q177-H180 PolarHBondContact O-ND1 3.03Å
178Q94.8Very high92.4Very high99 Ų9972.6 Ų72.646%0.46334%0.343SS..Hα-helixtrans-78.6-24.7-179.6-76.1-174.1-121.300113.8R174 I175 R205R174-Q178 HydrophobicContact CG-CG 4.33Å; R174-Q178 WeakPolarHBondContact O-CB 3.48Å; R174-Q178 WeakPolarHBondContact O-CG 3.26Å; R174-Q178 PolarHBondContact O-N 2.95Å; I175-Q178 PolarHBondContact O-N 3.27Å; Q178-R205 PolarHBondContact O-NH2 2.91Å
179T94.6Very high92Very high0 Ų070.1 Ų70.10%034%0.335CS..Hα-helixtrans-105.7-10.3179.361.50000113I175 T181 N202 R205 A206 E209I175-T179 WeakPolarHBondContact O-CB 3.29Å; I175-T179 PolarHBondContact O-N 3.33Å; I175-T179 PolarHBondContact O-OG1 2.93Å; T179-T181 VanDerWaalsContact C-N 3.27Å; T179-T181 PolarHBondContact O-N 2.89Å; T179-T181 PolarHBondContact OG1-OG1 3.09Å; T179-N202 WeakPolarHBondContact O-CB 3.23Å; T179-N202 PolarHBondContact O-ND2 3.17Å; T179-N202 VanDerWaalsContact O-ND2 3.12Å; T179-N202 PolarHBondContact O-OD1 3.49Å; T179-R205 HydrophobicContact CG2-CB 4.27Å; T179-A206 HydrophobicContact CG2-CB 4.06Å; T179-E209 WeakPolarHBondContact CG2-OE2 3.44Å
180H93.1Very high91.4Very high142 Ų14276 Ų7666%0.65736%0.357SS*.THydrogen-bonded Turntrans55.841.2-174.6-46.5-60.8000112.9Q176 Q177Q176-H180 VanDerWaalsContact O-CA 3.25Å; Q176-H180 WeakPolarHBondContact O-CA 3.47Å; Q176-H180 PolarHBondContact O-N 2.72Å; Q177-H180 PolarHBondContact O-CE1 2.81Å; Q177-H180 PolarHBondContact O-ND1 3.03Å
181T95.5Very high90.9Very high11 Ų1178 Ų787%0.06736%0.362CS..  trans-108.9158.5172.8580000110.9Q176 T179 V196 T197 N202 V203 A206Q176-T181 WeakPolarHBondContact CA-O 3.42Å; Q176-T181 VanDerWaalsContact CB-O 3.3Å; Q176-T181 WeakPolarHBondContact CB-O 3.34Å; Q176-T181 WeakPolarHBondContact CG-O 3.09Å; Q176-T181 PolarHBondContact O-N 3.21Å; T179-T181 VanDerWaalsContact C-N 3.27Å; T179-T181 PolarHBondContact O-N 2.89Å; T179-T181 PolarHBondContact OG1-OG1 3.09Å; T181-V196 HydrophobicContact CG2-CG1 4.15Å; T181-T197 WeakPolarHBondContact CA-O 3.38Å; T181-N202 HydrophobicContact CG2-CB 3.93Å; T181-N202 WeakPolarHBondContact CG2-O 3.32Å; T181-V203 HydrophobicContact CG2-CG2 4.02Å; T181-A206 HydrophobicContact CG2-CB 3.73Å
182Y94.6Very high90.7Very high152 Ų15278.2 Ų78.260%0.59636%0.363SS*.EExtended strand (participates in β ladder)trans-100.8132164.7-178.6-108.1000108.6V184 T197Y182-V184 HydrophobicContact CD1-CG2 4.29Å; Y182-V184 HydrophobicContact CE1-CG2 3.76Å; Y182-T197 PolarHBondContact N-O 3.11Å; Y182-T197 PolarHBondContact O-N 2.9Å
183I94.6Very high90.5Very high6 Ų679.7 Ų79.73%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-127.8112.3-177-55.1174.5000110.8I172 I175 Q176 T185 F194 E195 V196 A206 I210I172-I183 HydrophobicContact CD1-CB 4.28Å; I172-I183 HydrophobicContact CD1-CD1 3.75Å; I172-I183 HydrophobicContact CD1-CG2 3.97Å; I172-I183 HydrophobicContact CG1-CB 4.3Å; I172-I183 HydrophobicContact CG1-CG2 4.18Å; I175-I183 HydrophobicContact CG2-CD1 4.03Å; Q176-I183 HydrophobicContact CG-CB 3.78Å; Q176-I183 HydrophobicContact CG-CD1 3.75Å; Q176-I183 HydrophobicContact CG-CG1 3.58Å; I183-T185 PolarHBondContact O-N 3.33Å; I183-F194 HydrophobicContact CG2-CB 3.93Å; I183-F194 HydrophobicContact CG2-CD1 3.83Å; I183-F194 HydrophobicContact CG2-CG 4.24Å; I183-E195 WeakPolarHBondContact CA-O 3.19Å; I183-V196 HydrophobicContact CD1-CG1 4.4Å; I183-V196 HydrophobicContact CD1-CG2 4.39Å; I183-V196 HydrophobicContact CG1-CB 4.4Å; I183-V196 HydrophobicContact CG1-CG1 4.03Å; I183-V196 HydrophobicContact CG1-CG2 4.1Å; I183-V196 HydrophobicContact CG2-CG2 4.12Å; I183-A206 HydrophobicContact CD1-CB 4.37Å; I183-I210 HydrophobicContact CD1-CD1 4.24Å
184V93.3Very high90.4Very high57 Ų5773.4 Ų73.435%0.34534%0.344SS..EExtended strand (participates in β ladder)trans-73.8119.4173-171.80000108.6Y182 E195Y182-V184 HydrophobicContact CD1-CG2 4.29Å; Y182-V184 HydrophobicContact CE1-CG2 3.76Å; V184-E195 HydrophobicContact CB-CB 4.02Å; V184-E195 HydrophobicContact CG2-CB 4.17Å; V184-E195 PolarHBondContact N-O 3.5Å; V184-E195 PolarHBondContact O-N 2.88Å
185T90.2Very high90.4Very high61 Ų6171.6 Ų71.637%0.37434%0.341SS..PPolyproline II helixtrans-81124.4171.2-61.10000109.1V165 I183 F194V165-T185 HydrophobicContact CG2-CG2 3.54Å; I183-T185 PolarHBondContact O-N 3.33Å; T185-F194 HydrophobicContact CG2-CE1 4.15Å
186P87.2Confident90.4Very high24 Ų2471.6 Ų71.616%0.15634%0.341CS..PPolyproline II helixtrans-65.4150.9178.426.8-34.4000111.8D191 V193P186-D191 WeakPolarHBondContact CB-O 3.23Å; P186-V193 WeakPolarHBondContact CB-O 3.33Å; P186-V193 WeakPolarHBondContact CD-O 3.35Å; P186-V193 WeakPolarHBondContact CG-O 3.29Å
187S84.4Confident90.3Very high56 Ų5671 Ų7139%0.39234%0.34SS..PPolyproline II helixtrans-61.8151.5169.4-45.90000110.3E189 K190S187-E189 WeakPolarHBondContact CB-OE2 3.38Å; S187-E189 PolarHBondContact O-N 2.89Å; S187-E189 VanDerWaalsContact O-N 3.14Å; S187-K190 PolarHBondContact O-N 3.49Å; S187-K190 VanDerWaalsContact O-N 3.16Å
188R79.9Confident90.1Very high220 Ų22064.2 Ų64.283%0.8331%0.309SS*.THydrogen-bonded Turntrans-63.5-21.5179.4160.9-177.9-70.3-158.3-1.1112.4
189E80.5Confident89.9Confident154 Ų15464.3 Ų64.372%0.7231%0.311SS*.THydrogen-bonded Turntrans-96.76.6-175.6-52.867.7-147.200112.5S187S187-E189 WeakPolarHBondContact CB-OE2 3.38Å; S187-E189 PolarHBondContact O-N 2.89Å; S187-E189 VanDerWaalsContact O-N 3.14Å
190K80.4Confident89.7Confident133 Ų13366.9 Ų66.958%0.57833%0.327SS*.SBendtrans-121.5167.4179.7-69-178.9-179.5179.40110.8Y158 S187Y158-K190 WeakPolarHBondContact CE1-O 3.44Å; Y158-K190 PolarHBondContact OH-O 3.2Å; S187-K190 PolarHBondContact O-N 3.49Å; S187-K190 VanDerWaalsContact O-N 3.16Å
191D82.5Confident89.5Confident93 Ų9366 Ų6650%0.49732%0.324SS..  trans-52.7144171.8-91.3-68.1000112.3R155 P186 V193R155-D191 IonicContact NH2-OD1 3.93Å; P186-D191 WeakPolarHBondContact CB-O 3.23Å; D191-V193 HydrophobicContact CB-CG2 4.28Å; D191-V193 PolarHBondContact O-N 3.35Å
192P90Very high89.4Confident8 Ų866.5 Ų66.55%0.05233%0.326CS..SBendtrans-8459.4-171.237.1-37.2000110.8V156 Y158 V161V156-P192 HydrophobicContact CG2-CB 4.44Å; V156-P192 PolarHBondContact N-O 3.02Å; V156-P192 WeakPolarHBondContact O-CB 3.48Å; V156-P192 WeakPolarHBondContact O-CG 3.48Å; Y158-P192 HydrophobicContact CD1-CB 4.05Å; Y158-P192 HydrophobicContact CD1-CG 4.3Å; Y158-P192 HydrophobicContact CD2-CB 4.49Å; Y158-P192 HydrophobicContact CD2-CG 3.92Å; Y158-P192 HydrophobicContact CE1-CB 4.21Å; Y158-P192 HydrophobicContact CE1-CG 4.25Å; Y158-P192 HydrophobicContact CE2-CG 3.87Å; Y158-P192 HydrophobicContact CG-CB 4.21Å; Y158-P192 HydrophobicContact CG-CG 4.15Å; V161-P192 HydrophobicContact CG2-CB 3.7Å
193V90.6Very high89.4Confident35 Ų3559.2 Ų59.221%0.21230%0.297CS..EExtended strand (participates in β ladder)trans-112.4120-177.8177.90000109Q153 R155 P186 D191Q153-V193 HydrophobicContact CB-CG1 3.58Å; Q153-V193 HydrophobicContact CG-CG1 3.88Å; R155-V193 HydrophobicContact CB-CG2 4.23Å; R155-V193 HydrophobicContact CG-CG2 4.05Å; P186-V193 WeakPolarHBondContact CB-O 3.33Å; P186-V193 WeakPolarHBondContact CD-O 3.35Å; P186-V193 WeakPolarHBondContact CG-O 3.29Å; D191-V193 HydrophobicContact CB-CG2 4.28Å; D191-V193 PolarHBondContact O-N 3.35Å
194F92.8Very high89.3Confident0 Ų063 Ų630%032%0.318CS..EExtended strand (participates in β ladder)trans-83.6128.3168.3-68.3-80.1000109.5Q153 V154 V156 V161 V164 V165 I183 T185 V196Q153-F194 WeakPolarHBondContact CA-O 3.49Å; V154-F194 HydrophobicContact CB-CB 4.41Å; V154-F194 PolarHBondContact N-O 3.44Å; V154-F194 PolarHBondContact O-N 3.12Å; V156-F194 HydrophobicContact CG1-CD2 4.01Å; V156-F194 HydrophobicContact CG1-CE2 4.08Å; V156-F194 HydrophobicContact CG2-CD2 4.2Å; V156-F194 HydrophobicContact CG2-CE2 3.72Å; V161-F194 HydrophobicContact CG1-CZ 4.12Å; V164-F194 HydrophobicContact CB-CE2 4.14Å; V164-F194 HydrophobicContact CB-CZ 4.01Å; V164-F194 HydrophobicContact CG1-CE1 4.37Å; V164-F194 HydrophobicContact CG1-CE2 3.68Å; V164-F194 HydrophobicContact CG1-CZ 3.58Å; V165-F194 HydrophobicContact CG2-CE1 4.13Å; V165-F194 HydrophobicContact CG2-CZ 4.16Å; I183-F194 HydrophobicContact CG2-CB 3.93Å; I183-F194 HydrophobicContact CG2-CD1 3.83Å; I183-F194 HydrophobicContact CG2-CG 4.24Å; T185-F194 HydrophobicContact CG2-CE1 4.15Å; F194-V196 HydrophobicContact CB-CG2 4.42Å
195E93.7Very high89.4Confident67 Ų6765.9 Ų65.931%0.31332%0.322SS..EExtended strand (participates in β ladder)trans-91.3114.7170.3-166.8-177.5127.400108.2I183 V184I183-E195 WeakPolarHBondContact CA-O 3.19Å; V184-E195 HydrophobicContact CB-CB 4.02Å; V184-E195 HydrophobicContact CG2-CB 4.17Å; V184-E195 PolarHBondContact N-O 3.5Å; V184-E195 PolarHBondContact O-N 2.88Å
196V94.9Very high89.6Confident0 Ų063 Ų630%030%0.304CS..EExtended strand (participates in β ladder)trans-110116.7-174.5-176.20000109T151 I152 V154 T181 I183 F194 V203 A206 I210T151-V196 WeakPolarHBondContact CA-O 3.31Å; I152-V196 PolarHBondContact N-O 3.21Å; I152-V196 PolarHBondContact O-N 2.78Å; V154-V196 HydrophobicContact CB-CG2 4.46Å; V154-V196 HydrophobicContact CG2-CG2 3.76Å; T181-V196 HydrophobicContact CG2-CG1 4.15Å; I183-V196 HydrophobicContact CD1-CG1 4.4Å; I183-V196 HydrophobicContact CD1-CG2 4.39Å; I183-V196 HydrophobicContact CG1-CB 4.4Å; I183-V196 HydrophobicContact CG1-CG1 4.03Å; I183-V196 HydrophobicContact CG1-CG2 4.1Å; I183-V196 HydrophobicContact CG2-CG2 4.12Å; F194-V196 HydrophobicContact CB-CG2 4.42Å; V196-V203 HydrophobicContact CB-CG1 4.13Å; V196-V203 HydrophobicContact CG1-CB 4.3Å; V196-V203 HydrophobicContact CG1-CG1 3.76Å; V196-V203 HydrophobicContact CG1-CG2 4.21Å; V196-A206 HydrophobicContact CG1-CB 3.78Å; V196-I210 HydrophobicContact CG2-CD1 4.25Å
197T92.6Very high89.9Confident26 Ų2666.8 Ų66.816%0.1632%0.316CS..EExtended strand (participates in β ladder)trans-118.6129.6-174.2-54.10000111Q149 T150 T151 T181 Y182Q149-T197 HydrophobicContact CB-CG2 4.49Å; T150-T197 WeakPolarHBondContact O-CA 3.38Å; T151-T197 HydrophobicContact CG2-CG2 3.95Å; T181-T197 WeakPolarHBondContact CA-O 3.38Å; Y182-T197 PolarHBondContact N-O 3.11Å; Y182-T197 PolarHBondContact O-N 2.9Å
198G92.4Very high90.3Very high5 Ų570 Ų705%0.05232%0.324CS..EExtended strand (participates in β ladder)trans167.3-173179.900000113.1Q149 T150 V203Q149-G198 CarbonylContact C-O 3.57Å; Q149-G198 WeakPolarHBondContact CA-O 3.43Å; T150-G198 PolarHBondContact N-O 3.09Å; T150-G198 PolarHBondContact O-N 3.33Å; T150-G198 VanDerWaalsContact O-N 3.14Å; G198-V203 VanDerWaalsContact N-CG2 3.29Å; G198-V203 WeakPolarHBondContact O-CG2 3.37Å
199M89.9Confident91Very high100 Ų10061.7 Ų61.749%0.49330%0.295SS..  trans-61.6145.2171.5-58.4-171.4-55.700110E201 N202 V203M199-E201 VanDerWaalsContact C-N 3.34Å; M199-E201 PolarHBondContact O-N 3Å; M199-N202 HydrophobicContact CB-CB 4.39Å; M199-N202 WeakPolarHBondContact CE-ND2 3.26Å; M199-N202 WeakPolarHBondContact O-CA 3.43Å; M199-N202 VanDerWaalsContact O-CB 3.32Å; M199-N202 WeakPolarHBondContact O-CB 3.39Å; M199-N202 PolarHBondContact O-N 3.3Å; M199-V203 WeakPolarHBondContact O-CG2 3.27Å; M199-V203 PolarHBondContact O-N 3.26Å
200P90.4Very high91.6Very high54 Ų5454.3 Ų54.335%0.35126%0.261SS..Hα-helixtrans-56.2-44.4-171.719-29.2000113.5T150 N202 V203 D204T150-P200 HydrophobicContact CG2-CB 4.07Å; P200-N202 PolarHBondContact O-N 3.4Å; P200-N202 VanDerWaalsContact O-N 3.15Å; P200-V203 PolarHBondContact O-N 3.44Å; P200-V203 VanDerWaalsContact O-N 3.09Å; P200-D204 PolarHBondContact O-N 3.07Å
201E88.8Confident92.1Very high125 Ų12551.6 Ų51.658%0.58425%0.25SS*.Hα-helixtrans-62.3-26178.4-49.978.8-174.800112.7M199 R205M199-E201 VanDerWaalsContact C-N 3.34Å; M199-E201 PolarHBondContact O-N 3Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 VanDerWaalsContact O-CG 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å
202N94.3Very high92.5Very high20 Ų2050.2 Ų50.211%0.10725%0.245CC..Hα-helixtrans-85.5-37176.4-78-3.4000112T179 T181 M199 P200 A206T179-N202 WeakPolarHBondContact O-CB 3.23Å; T179-N202 PolarHBondContact O-ND2 3.17Å; T179-N202 VanDerWaalsContact O-ND2 3.12Å; T179-N202 PolarHBondContact O-OD1 3.49Å; T181-N202 HydrophobicContact CG2-CB 3.93Å; T181-N202 WeakPolarHBondContact CG2-O 3.32Å; M199-N202 HydrophobicContact CB-CB 4.39Å; M199-N202 WeakPolarHBondContact CE-ND2 3.26Å; M199-N202 WeakPolarHBondContact O-CA 3.43Å; M199-N202 VanDerWaalsContact O-CB 3.32Å; M199-N202 WeakPolarHBondContact O-CB 3.39Å; M199-N202 PolarHBondContact O-N 3.3Å; P200-N202 PolarHBondContact O-N 3.4Å; P200-N202 VanDerWaalsContact O-N 3.15Å; N202-A206 WeakPolarHBondContact O-CB 3.1Å; N202-A206 PolarHBondContact O-N 3.41Å
203V94.1Very high92.5Very high0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-71.4-41.4179.8174.50000111.2T150 I152 T181 V196 G198 M199 P200 R205 A206 R207T150-V203 HydrophobicContact CG2-CB 3.77Å; T150-V203 HydrophobicContact CG2-CG1 3.98Å; T150-V203 HydrophobicContact CG2-CG2 3.77Å; I152-V203 HydrophobicContact CB-CG1 3.63Å; I152-V203 HydrophobicContact CD1-CG1 3.79Å; I152-V203 HydrophobicContact CG1-CG1 3.66Å; T181-V203 HydrophobicContact CG2-CG2 4.02Å; V196-V203 HydrophobicContact CB-CG1 4.13Å; V196-V203 HydrophobicContact CG1-CB 4.3Å; V196-V203 HydrophobicContact CG1-CG1 3.76Å; V196-V203 HydrophobicContact CG1-CG2 4.21Å; G198-V203 VanDerWaalsContact N-CG2 3.29Å; G198-V203 WeakPolarHBondContact O-CG2 3.37Å; M199-V203 WeakPolarHBondContact O-CG2 3.27Å; M199-V203 PolarHBondContact O-N 3.26Å; P200-V203 PolarHBondContact O-N 3.44Å; P200-V203 VanDerWaalsContact O-N 3.09Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.26Å; V203-A206 PolarHBondContact O-N 3.18Å; V203-R207 WeakPolarHBondContact O-CB 3.37Å; V203-R207 PolarHBondContact O-N 3.2Å
204D93.1Very high92.4Very high86 Ų8650.4 Ų50.446%0.4624%0.244SC..Hα-helixtrans-62.7-42.5174.3-70.5-34.8000111.1P200 A206 R207 E208P200-D204 PolarHBondContact O-N 3.07Å; D204-A206 PolarHBondContact O-N 3.1Å; D204-R207 WeakPolarHBondContact O-CB 3.47Å; D204-R207 PolarHBondContact O-N 3.33Å; D204-E208 WeakPolarHBondContact O-CB 3.45Å; D204-E208 PolarHBondContact O-N 3.13Å
205R94.4Very high92.1Very high116 Ų11654.3 Ų54.344%0.43827%0.267SS..Hα-helixtrans-63.8-37.6172.7-76.4177.859.3-134.4-12.2113.3Q178 T179 E201 V203 E208 E209Q178-R205 PolarHBondContact O-NH2 2.91Å; T179-R205 HydrophobicContact CG2-CB 4.27Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 VanDerWaalsContact O-CG 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.26Å; R205-E208 PolarHBondContact O-N 3.26Å; R205-E209 WeakPolarHBondContact O-CB 3.45Å; R205-E209 PolarHBondContact O-N 3.42Å
206A95.2Very high91.7Very high0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-68.3-37.4176.200000112.3I175 T179 T181 I183 V196 N202 V203 D204 I210I175-A206 HydrophobicContact CG2-CB 4.43Å; T179-A206 HydrophobicContact CG2-CB 4.06Å; T181-A206 HydrophobicContact CG2-CB 3.73Å; I183-A206 HydrophobicContact CD1-CB 4.37Å; V196-A206 HydrophobicContact CG1-CB 3.78Å; N202-A206 WeakPolarHBondContact O-CB 3.1Å; N202-A206 PolarHBondContact O-N 3.41Å; V203-A206 PolarHBondContact O-N 3.18Å; D204-A206 PolarHBondContact O-N 3.1Å; A206-I210 WeakPolarHBondContact O-CD1 3.42Å; A206-I210 VanDerWaalsContact O-CG1 3.26Å; A206-I210 WeakPolarHBondContact O-CG1 3.43Å; A206-I210 PolarHBondContact O-N 3.4Å
207R94Very high90.9Very high104 Ų10464.7 Ų64.739%0.39231%0.313SS..Hα-helixtrans-62.8-51.3171.3174.5177.4173-124.2-28.3111.2V154 V203 D204 E209 I210 E211V154-R207 HydrophobicContact CG1-CG 4.33Å; V154-R207 HydrophobicContact CG2-CB 3.85Å; V154-R207 HydrophobicContact CG2-CG 3.79Å; V203-R207 WeakPolarHBondContact O-CB 3.37Å; V203-R207 PolarHBondContact O-N 3.2Å; D204-R207 WeakPolarHBondContact O-CB 3.47Å; D204-R207 PolarHBondContact O-N 3.33Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.31Å; R207-I210 PolarHBondContact O-N 3.2Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.2Å; R207-E211 VanDerWaalsContact CZ-OE1 3.24Å; R207-E211 IonicContact CZ-OE2 2.71Å; R207-E211 IonicContact NE-OE1 3.5Å; R207-E211 PolarHBondContact NE-OE1 2.9Å; R207-E211 IonicContact NE-OE2 3.56Å; R207-E211 IonicContact NH2-OE1 3.93Å; R207-E211 PolarHBondContact NH2-OE1 3.17Å; R207-E211 IonicContact NH2-OE2 2.72Å; R207-E211 PolarHBondContact NH2-OE2 2.91Å; R207-E211 WeakPolarHBondContact O-CG 3.44Å; R207-E211 PolarHBondContact O-N 2.89Å
208E92.9Very high90.4Very high123 Ų12365.8 Ų65.858%0.57532%0.32SS*.Hα-helixtrans-58.2-42.4176.7-175.9-176.6-158.700111.6D204 R205 I210 E211 T212D204-E208 WeakPolarHBondContact O-CB 3.45Å; D204-E208 PolarHBondContact O-N 3.13Å; R205-E208 PolarHBondContact O-N 3.26Å; E208-I210 PolarHBondContact O-N 3.26Å; E208-E211 PolarHBondContact O-N 2.97Å; E208-T212 WeakPolarHBondContact O-CB 3.36Å; E208-T212 PolarHBondContact O-N 3.48Å; E208-T212 PolarHBondContact O-OG1 3.32Å
209E92.9Very high89Confident46 Ų4669 Ų6922%0.21535%0.353CS..Hα-helixtrans-65-38.8177.4-165.4176.5163.100111.4I175 T179 R205 R207 H213I175-E209 HydrophobicContact CD1-CG 4.5Å; I175-E209 HydrophobicContact CG1-CG 4.09Å; I175-E209 HydrophobicContact CG2-CB 4.15Å; I175-E209 HydrophobicContact CG2-CG 4.29Å; T179-E209 WeakPolarHBondContact CG2-OE2 3.44Å; R205-E209 WeakPolarHBondContact O-CB 3.45Å; R205-E209 PolarHBondContact O-N 3.42Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.31Å; E209-H213 WeakPolarHBondContact O-CB 3.18Å; E209-H213 PolarHBondContact O-N 2.81Å
210I93.8Very high87.1Confident0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-63.1-52.2172.7-69.2162.1000111.4V154 V156 V164 I175 I183 V196 A206 R207 E208 T212 H213 I214V154-I210 HydrophobicContact CG1-CB 4.44Å; V154-I210 HydrophobicContact CG1-CD1 4.35Å; V154-I210 HydrophobicContact CG1-CG2 4.02Å; V156-I210 HydrophobicContact CG1-CG2 3.99Å; V164-I210 HydrophobicContact CG1-CG1 4.27Å; V164-I210 HydrophobicContact CG1-CG2 4.09Å; V164-I210 HydrophobicContact CG2-CG2 4.31Å; I175-I210 HydrophobicContact CD1-CG1 4.1Å; I183-I210 HydrophobicContact CD1-CD1 4.24Å; V196-I210 HydrophobicContact CG2-CD1 4.25Å; A206-I210 WeakPolarHBondContact O-CD1 3.42Å; A206-I210 VanDerWaalsContact O-CG1 3.26Å; A206-I210 WeakPolarHBondContact O-CG1 3.43Å; A206-I210 PolarHBondContact O-N 3.4Å; R207-I210 PolarHBondContact O-N 3.2Å; E208-I210 PolarHBondContact O-N 3.26Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.37Å; I210-H213 PolarHBondContact O-N 2.73Å; I210-I214 HydrophobicContact CG2-CD1 3.9Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 3.34Å
211E91.3Very high84.8Confident76 Ų7673.1 Ų73.136%0.35537%0.37SS..Hα-helixtrans-62.4-41.3-177-70.7176.2-172.500111.2R207 E208 I214 T215R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.2Å; R207-E211 VanDerWaalsContact CZ-OE1 3.24Å; R207-E211 IonicContact CZ-OE2 2.71Å; R207-E211 IonicContact NE-OE1 3.5Å; R207-E211 PolarHBondContact NE-OE1 2.9Å; R207-E211 IonicContact NE-OE2 3.56Å; R207-E211 IonicContact NH2-OE1 3.93Å; R207-E211 PolarHBondContact NH2-OE1 3.17Å; R207-E211 IonicContact NH2-OE2 2.72Å; R207-E211 PolarHBondContact NH2-OE2 2.91Å; R207-E211 WeakPolarHBondContact O-CG 3.44Å; R207-E211 PolarHBondContact O-N 2.89Å; E208-E211 PolarHBondContact O-N 2.97Å; E211-I214 PolarHBondContact O-N 3.39Å; E211-T215 WeakPolarHBondContact O-CB 3.32Å; E211-T215 PolarHBondContact O-N 3.16Å; E211-T215 PolarHBondContact O-OG1 3.41Å
212T89.6Confident82.9Confident63 Ų6371.4 Ų71.439%0.38737%0.368SS..Hα-helixtrans-65.8-42.1173.8-60.60000111.8E208 I210 I214 T215 L216E208-T212 WeakPolarHBondContact O-CB 3.36Å; E208-T212 PolarHBondContact O-N 3.48Å; E208-T212 PolarHBondContact O-OG1 3.32Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.37Å; T212-I214 VanDerWaalsContact C-N 3.32Å; T212-I214 PolarHBondContact O-N 2.77Å; T212-T215 PolarHBondContact O-N 2.91Å; T212-L216 HydrophobicContact CG2-CD1 3.63Å; T212-L216 HydrophobicContact CG2-CG 4.04Å; T212-L216 WeakPolarHBondContact O-CB 2.95Å; T212-L216 WeakPolarHBondContact O-CG 3.17Å; T212-L216 PolarHBondContact O-N 3.02Å
213H90.1Very high80.5Confident24 Ų2474.6 Ų74.611%0.11139%0.385CS..Hα-helixtrans-64-37.3179.4-163.595.6000112.6T171 E209 I210 R217T171-H213 WeakPolarHBondContact CG2-CE1 3.35Å; T171-H213 VanDerWaalsContact CG2-NE2 3.31Å; T171-H213 WeakPolarHBondContact CG2-NE2 3.19Å; E209-H213 WeakPolarHBondContact O-CB 3.18Å; E209-H213 PolarHBondContact O-N 2.81Å; I210-H213 PolarHBondContact O-N 2.73Å; H213-R217 PolarHBondContact CE1-NE 3.06Å; H213-R217 PolarHBondContact CE1-NH1 3Å; H213-R217 VanDerWaalsContact CE1-NH1 3.29Å; H213-R217 VanDerWaalsContact NE2-CD 3.29Å; H213-R217 WeakPolarHBondContact NE2-CD 3.46Å; H213-R217 VanDerWaalsContact NE2-CZ 3.32Å; H213-R217 PolarHBondContact NE2-NE 3.32Å; H213-R217 PolarHBondContact NE2-NH1 3.28Å; H213-R217 WeakPolarHBondContact O-CB 3.37Å; H213-R217 PolarHBondContact O-N 3.15Å
214I90.1Very high78.4Confident24 Ų2482.1 Ų82.112%0.12342%0.424CS..Hα-helixtrans-63.5-53.4172.5-68.4163.5000109.6V156 V160 V164 I210 E211 T212 R217 T218V156-I214 HydrophobicContact CB-CD1 3.82Å; V156-I214 HydrophobicContact CG1-CD1 3.52Å; V160-I214 HydrophobicContact CB-CG1 4.29Å; V160-I214 HydrophobicContact CB-CG2 4.27Å; V160-I214 HydrophobicContact CG1-CG2 4.21Å; V160-I214 HydrophobicContact CG2-CD1 3.89Å; V160-I214 HydrophobicContact CG2-CG1 3.83Å; V160-I214 HydrophobicContact CG2-CG2 3.9Å; V164-I214 HydrophobicContact CG2-CD1 3.9Å; V164-I214 HydrophobicContact CG2-CG1 3.47Å; V164-I214 VanDerWaalsContact CG2-CG1 3.47Å; I210-I214 HydrophobicContact CG2-CD1 3.9Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 3.34Å; E211-I214 PolarHBondContact O-N 3.39Å; T212-I214 VanDerWaalsContact C-N 3.32Å; T212-I214 PolarHBondContact O-N 2.77Å; I214-R217 PolarHBondContact O-N 2.98Å; I214-T218 VanDerWaalsContact O-CB 3.26Å; I214-T218 WeakPolarHBondContact O-CB 3.49Å; I214-T218 PolarHBondContact O-N 3.43Å; I214-T218 PolarHBondContact O-OG1 3Å
215T86.2Confident76.1Confident82 Ų8283.9 Ų83.950%0.50343%0.43SS..Hα-helixtrans-60.4-52.7-174.4-55.50000111.6E211 T212 R217 G219E211-T215 WeakPolarHBondContact O-CB 3.32Å; E211-T215 PolarHBondContact O-N 3.16Å; E211-T215 PolarHBondContact O-OG1 3.41Å; T212-T215 PolarHBondContact O-N 2.91Å; T215-R217 VanDerWaalsContact C-N 3.3Å; T215-R217 PolarHBondContact O-N 3.35Å; T215-G219 PolarHBondContact O-N 3.41Å
216L83.9Confident73.8Confident137 Ų13781.4 Ų81.472%0.71744%0.44SS*.Hα-helixtrans-64.3-28.3-177.6-69.3178.3000114.2T212T212-L216 HydrophobicContact CG2-CD1 3.63Å; T212-L216 HydrophobicContact CG2-CG 4.04Å; T212-L216 WeakPolarHBondContact O-CB 2.95Å; T212-L216 WeakPolarHBondContact O-CG 3.17Å; T212-L216 PolarHBondContact O-N 3.02Å
217R79.3Confident71.5Confident147 Ų14788.6 Ų88.656%0.55548%0.478SS*.Hα-helixtrans-101.1-24.6-176.3-70.7-173.5168.5-167.5-12.7114.9H213 I214 T215H213-R217 PolarHBondContact CE1-NE 3.06Å; H213-R217 PolarHBondContact CE1-NH1 3Å; H213-R217 VanDerWaalsContact CE1-NH1 3.29Å; H213-R217 VanDerWaalsContact NE2-CD 3.29Å; H213-R217 WeakPolarHBondContact NE2-CD 3.46Å; H213-R217 VanDerWaalsContact NE2-CZ 3.32Å; H213-R217 PolarHBondContact NE2-NE 3.32Å; H213-R217 PolarHBondContact NE2-NH1 3.28Å; H213-R217 WeakPolarHBondContact O-CB 3.37Å; H213-R217 PolarHBondContact O-N 3.15Å; I214-R217 PolarHBondContact O-N 2.98Å; T215-R217 VanDerWaalsContact C-N 3.3Å; T215-R217 PolarHBondContact O-N 3.35Å
218T81.5Confident69.4Low50 Ų5089.7 Ų89.731%0.30749%0.492SS..Hα-helixtrans-81-26.5175-42.60000110.3V160 I214 T220V160-T218 HydrophobicContact CG1-CG2 4.27Å; I214-T218 VanDerWaalsContact O-CB 3.26Å; I214-T218 WeakPolarHBondContact O-CB 3.49Å; I214-T218 PolarHBondContact O-N 3.43Å; I214-T218 PolarHBondContact O-OG1 3Å; T218-T220 WeakPolarHBondContact CG2-OG1 3.49Å; T218-T220 PolarHBondContact O-N 2.78Å
219G62.8Low67.4Low72 Ų7292 Ų9274%0.74251%0.509SS*.  trans71-12.8176.300000114.5T215T215-G219 PolarHBondContact O-N 3.41Å
220T51.4Low65.3Low80 Ų8098.3 Ų98.349%0.49154%0.535SS..SBendtrans-98120.8171.257.90000109.9T218 V222T218-T220 WeakPolarHBondContact CG2-OG1 3.49Å; T218-T220 PolarHBondContact O-N 2.78Å; T220-V222 PolarHBondContact O-N 2.87Å
221F41.6Very low63.3Low160 Ų160106 Ų10670%0.70257%0.571SS**  trans-53.6106.6152.2170.7-122.2000107.9D223F221-D223 VanDerWaalsContact C-N 3.3Å; F221-D223 HydrophobicContact CD1-CB 3.94Å; F221-D223 HydrophobicContact CE1-CB 3.38Å; F221-D223 VanDerWaalsContact CE1-OD2 3.25Å; F221-D223 WeakPolarHBondContact CE1-OD2 3.47Å; F221-D223 HydrophobicContact CE2-CB 4.37Å; F221-D223 HydrophobicContact CZ-CB 3.63Å; F221-D223 WeakPolarHBondContact CZ-OD2 3.46Å; F221-D223 PolarHBondContact O-N 2.7Å
222V49.6Very low61.4Low89 Ų89108.9 Ų108.954%0.53959%0.594SS.*  trans-81.492163.71790000104.8T220 L224T220-V222 PolarHBondContact O-N 2.87Å; V222-L224 PolarHBondContact O-N 2.9Å
223D43Very low59.3Low88 Ų88113.7 Ų113.747%0.47162%0.617SS.*  trans-60.3131.8169.5-154.6-17.2000108.7F221 Q225F221-D223 VanDerWaalsContact C-N 3.3Å; F221-D223 HydrophobicContact CD1-CB 3.94Å; F221-D223 HydrophobicContact CE1-CB 3.38Å; F221-D223 VanDerWaalsContact CE1-OD2 3.25Å; F221-D223 WeakPolarHBondContact CE1-OD2 3.47Å; F221-D223 HydrophobicContact CE2-CB 4.37Å; F221-D223 HydrophobicContact CZ-CB 3.63Å; F221-D223 WeakPolarHBondContact CZ-OD2 3.46Å; F221-D223 PolarHBondContact O-N 2.7Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.23Å; D223-Q225 PolarHBondContact OD1-N 3.41Å
224L49.2Very low57Low157 Ų157115.9 Ų115.982%0.82265%0.647SS**  trans-105.319.5168.3-74.5178000111.6V222 G226V222-L224 PolarHBondContact O-N 2.9Å; L224-G226 PolarHBondContact O-N 2.83Å; L224-G226 VanDerWaalsContact O-N 3.08Å
225Q45.2Very low54.6Low124 Ų124121.8 Ų121.858%0.57968%0.684SS**  trans-78.751.3158.8-161.162.11700111.3D223D223-Q225 WeakPolarHBondContact OD1-CB 3.23Å; D223-Q225 PolarHBondContact OD1-N 3.41Å
226G47.1Very low52.6Low63 Ų63124.6 Ų124.665%0.64970%0.696SS**  trans-85.5-8-176.100000115.8L224L224-G226 PolarHBondContact O-N 2.83Å; L224-G226 VanDerWaalsContact O-N 3.08Å
227D45.6Very low50.5Low152 Ų152124.2 Ų124.281%0.81370%0.699SS**SBendtrans-136.767.8-171.1-73-74.2000111.4
228N51.2Low48.4Very low126 Ų126122.9 Ų122.967%0.67471%0.712SS**  trans-157.3-13.5167.1-104.5-74000115.8F230N228-F230 PolarHBondContact O-N 3.07Å
229D50.1Low46.6Very low173 Ų173128.1 Ų128.193%0.92574%0.737SS**THydrogen-bonded Turntrans-81.356.9-174.6-115.5-13.9000113.5
230F49.8Very low45.6Very low177 Ų177134.5 Ų134.578%0.77675%0.748SS**THydrogen-bonded Turntrans-113-12.3176.7-167.6-108.6000114.7N228N228-F230 PolarHBondContact O-N 3.07Å
231H51.9Low44.7Very low162 Ų162134.4 Ų134.475%0.7576%0.763SS**SBendtrans-127.133.1-169.4-72.9157.5000116.8
232T50Low44.7Very low137 Ų137135.6 Ų135.684%0.8478%0.776SS**SBendtrans-153.467.3154.711.40000114.5
233N45.7Very low43.9Very low163 Ų163134.5 Ų134.587%0.87278%0.782SS**SBendtrans-143.2118.5140.2-143.7-10.6000109.4
234G42.3Very low43.5Very low71 Ų71135.8 Ų135.873%0.73280%0.798SS**  trans-71.3136.3-171.500000111.7D236G234-D236 PolarHBondContact O-N 3.42Å
235T40.1Very low42.8Very low147 Ų147136.6 Ų136.690%0.90280%0.802SS**  trans-76.1116.6173.948.70000111.8
236D42.6Very low42.4Very low141 Ų141136.3 Ų136.375%0.75481%0.814SS**  trans-142.2169.7139.675.9-91.2000111.1G234G234-D236 PolarHBondContact O-N 3.42Å
237V41Very low41.6Very low130 Ų130137.3 Ų137.379%0.78882%0.824SS**  trans78.353.7-173.6-48.60000121
238S35.8Very low40.9Very low118 Ų118133.1 Ų133.183%0.82582%0.817SS**  trans-169.5152.8142.4-850000111.7
239L43Very low39.9Very low160 Ų160136.2 Ų136.284%0.83883%0.833SS**  cis-166.784.3-21.817260.6000107.8
240E41Very low39Very low206 Ų206131.2 Ų131.296%0.96382%0.822SS**  trans-161.2134.9167.4-117.6171.2130.100110.9
241G32.8Very low38.3Very low78 Ų78127.4 Ų127.480%0.80482%0.824SS**  trans165.190.5-173.100000112.2
242L41.9Very low37.6Very low186 Ų186125.2 Ų125.297%0.97483%0.826SS**  trans-74.5138.1-178.5-72.8161000112.3
243G32.1Very low37Very low65 Ų65126 Ų12667%0.6783%0.825SS**  trans114.1113.8143.500000118.4
244S35.6Very low36.5Very low116 Ų116129.1 Ų129.181%0.81183%0.825SS**  64.9126.9127.6-77.70000122.5
245L35.1Very low36Very low173 Ų173131 Ų13191%0.90683%0.827SS**  trans97.7129.1148.8-61.8161.7000120.5
246S35.1Very low35.5Very low118 Ų118135.5 Ų135.583%0.82583%0.827SS**  trans80.574.7141.2-165.50000121.9
247G31.6Very low34.8Very low84 Ų84132.4 Ų132.487%0.86682%0.821SS**  trans75.5158.813800000118.8
248G29.5Very low34.3Very low65 Ų65132.7 Ų132.767%0.6782%0.823SS**  cis160.6150.3-8.100000112.7
249L31.2Very low34.1Very low190 Ų190132 Ų132100%0.99582%0.818SS**  trans67.3142.9176.3-40.3175.8000114.7
250G31.4Very low33.4Very low69 Ų69133.5 Ų133.571%0.71182%0.821SS**  cis166.5151.2-7.900000111.7
251A34.8Very low32.9Very low97 Ų97132.3 Ų132.380%0.80281%0.814SS**  trans61.3127.4179.200000116.3
252S36.4Very low34Very low115 Ų115133.9 Ų133.980%0.80481%0.811SS**  cis73106.342.1-550000114.8
253L38Very low33.5Very low155 Ų155137 Ų13781%0.81281%0.809SS**  trans-151.9124.4140.5-140.971000113.5
254W34.3Very low33.4Very low228 Ų228142.9 Ų142.986%0.86482%0.816SS**  trans12.7159161.873.2-9.2000125
255S32.2Very low33Very low111 Ų111144.9 Ų144.978%0.77682%0.815SS**  trans-114.2167.5171.3-36.60000111.7
256R30.7Very low32.7Very low241 Ų241141.2 Ų141.291%0.90980%0.804SS**  130.7142.2121.4-155176.170.7165.82.3115.6
257A27.9Very low32.6Very low75 Ų75141.1 Ų141.162%0.6280%0.803SS**  trans105.4126.614000000121.3
258T30.8Very low32.7Very low137 Ų137141.9 Ų141.984%0.8480%0.795SS**  trans92.3134.8143-15.40000120.2
259S29.7Very low32.9Very low103 Ų103144.9 Ų144.972%0.7280%0.8SS**  trans-81.5160.6178.9-36.80000113.1
260H29.4Very low32.9Very low192 Ų192139.9 Ų139.989%0.88979%0.786SS**  trans-173.7143.9130.5-99.3-70.2000112.3
261H30.8Very low32.7Very low180 Ų180146.6 Ų146.683%0.83379%0.792SS**  trans-103.3172.6164.2-80.3-51.1000109.4
262P54.7Low32.5Very low112 Ų112150.1 Ų150.173%0.72779%0.791SS**  cis-128.7-169.9-28.836.9-20.3000111.6
263R33Very low32.3Very low251 Ų251150 Ų15095%0.94779%0.785SS**  trans172.5-171.6137.2-84-102.5-161.1-1747.2111.7
264K30.1Very low32.2Very low188 Ų188149.9 Ų149.982%0.81778%0.781SS**  trans-118.4160.4-157.6-84.4-172.5175.6-175.90114.6
265M26.1Very low32.2Very low158 Ų158146 Ų14678%0.77878%0.777SS**  trans74105.5147.9-70.6-84.8-175.900121
266S29.6Very low32.2Very low96 Ų96144.1 Ų144.167%0.67178%0.775SS**  64.2148.7115.5-52.50000123.6
267S33.2Very low32.3Very low116 Ų116136.3 Ų136.381%0.81177%0.77SS**  trans71.9146.7164.970.10000117.1
268S33.6Very low32.5Very low100 Ų100141.8 Ų141.870%0.69979%0.785SS**  cis-173.1154-9.541.50000111.9
269V32.3Very low32.7Very low129 Ų129140.3 Ų140.378%0.78278%0.78SS**  trans58.6119.6154.8174.60000117.3
270A30.8Very low33Very low84 Ų84140 Ų14069%0.69478%0.778SS**  cis91121.134.300000116.5
271Y27.9Very low33Very low211 Ų211137.6 Ų137.683%0.82777%0.772SS**  trans-160.7127.5155.4-89-80.3000106
272H31Very low33Very low170 Ų170132 Ų13279%0.78775%0.753SS**  58.5142.782.6-72.8-68.5000114.9
273T31.5Very low32Very low112 Ų112135.6 Ų135.669%0.68776%0.757SS**  cis-168165.8-11.5-161.20000106.8
274H36.7Very low32.1Very low154 Ų154128.2 Ų128.271%0.71374%0.744SS**  cis-163.2-159.130.346.5-32.3000106.6
275N34Very low32.3Very low146 Ų146124.2 Ų124.278%0.78174%0.74SS**  cis-157-160.215.8-156.8-10.7000111.2
276G31.7Very low32.5Very low71 Ų71123 Ų12373%0.73274%0.736SS**  trans-83.5-165.2-175.600000118
277G32.8Very low32.5Very low78 Ų78129.5 Ų129.580%0.80475%0.746SS**  cis-1551750.700000109.9
278M32.7Very low32.4Very low190 Ų190133.2 Ų133.294%0.93675%0.748SS**  cis-160.6-179.845.257.1176.4167.500112.9
279S35.6Very low33Very low106 Ų106134.2 Ų134.274%0.74175%0.752SS**  trans-58.5167-177.7-38.70000115.5
280S35.4Very low32.9Very low97 Ų97131.9 Ų131.968%0.67875%0.746SS**  cis-146.9-155.615.4-43.50000111.1
281D29.7Very low32.7Very low141 Ų141137 Ų13775%0.75476%0.755SS**  cis-159.4163.7-2.6-108.6-42.3000107.1
282S29.5Very low32.8Very low62 Ų62130.8 Ų130.843%0.43476%0.756SS.*  cis-166.6110.2-41.1-93.70000111.6
283F34.1Very low32.7Very low187 Ų187126.4 Ų126.482%0.8276%0.757SS**  trans37.2156.1137.161.8-120.4000122.9
284S35.7Very low32.6Very low96 Ų96126.6 Ų126.667%0.67176%0.762SS**  cis-166156.514.9-147.10000115.3
285S33.3Very low33.1Very low105 Ų105125.5 Ų125.573%0.73477%0.769SS**  trans69.4150.8135.8-73.40000121.8
286N32Very low33.2Very low132 Ų132124.7 Ų124.771%0.70677%0.77SS**  cis-168.8151.3-17.1-165.320.6000106.6
287R29.8Very low33.5Very low232 Ų232126.9 Ų126.988%0.87577%0.774SS**  -169.1143.680.8-79.2178.1-164.6-119.11.9112.7
288K30Very low34.2Very low194 Ų194129.1 Ų129.184%0.84377%0.774SS**  trans-89.6-177.5162.1-86.8-174.4175.6-1760110.5
289P45.9Very low33.9Very low122 Ų122129.6 Ų129.679%0.79277%0.771SS**  cis-123.8-161.93.540.9-21.1000111.9
290A29.8Very low33.6Very low79 Ų79128.9 Ų128.965%0.65377%0.766SS**  cis-157.6-17613.900000112.6
291E27.9Very low33.4Very low191 Ų191131.3 Ų131.389%0.89378%0.777SS**  trans65.3149.5167.8-52.5-60.981.800117.6
292G29.2Very low33.3Very low82 Ų82128.4 Ų128.485%0.84578%0.78SS**  trans-131.9176.3-16900000114.9
293G29.5Very low33.4Very low77 Ų77131.3 Ų131.379%0.79480%0.801SS**  trans173.3125.8175.700000112.3
294S28.7Very low33.3Very low116 Ų116128.4 Ų128.481%0.81180%0.804SS**  trans-83.1141.2171.4-56.20000110.5T296S294-T296 PolarHBondContact O-N 3.38Å
295P48.5Very low33.1Very low132 Ų132129.3 Ų129.386%0.85781%0.81SS**  trans-79.7115.2177.230.7-32.6000111.5
296T34.6Very low33.1Very low129 Ų129129 Ų12979%0.79181%0.813SS**  trans-113.8148.4156.7500000109.7S294S294-T296 PolarHBondContact O-N 3.38Å
297S38.2Very low32.9Very low116 Ų116126.6 Ų126.681%0.81182%0.821SS**  trans-62.3146.9-178.354.40000114
298P47.7Very low32.9Very low126 Ų126119.4 Ų119.482%0.81882%0.818SS**  trans-117.4150.1152.836.4-27.4000113.3
299F28Very low32.8Very low200 Ų200113.3 Ų113.388%0.87781%0.81SS**  trans-104.4141166.7-127.6-101.9000108.5
300S28.8Very low32.1Very low91 Ų91116.5 Ų116.564%0.63681%0.812SS**  trans60.7146.4151.4-69.90000123.7
301T30.2Very low32.2Very low148 Ų148118.5 Ų118.591%0.90882%0.816SS**  trans65.8127.8146.244.20000120.8
302G27.8Very low32.2Very low79 Ų79120 Ų12081%0.81482%0.82SS**  trans161.775165.300000114.4
303S32.4Very low32.2Very low123 Ų123119.6 Ų119.686%0.8682%0.817SS**  trans-71.2127.8174.2-52.50000111.7
304S31.3Very low32.2Very low126 Ų126120 Ų12088%0.88182%0.821SS**  trans-163.3139.3151.8-85.20000112.8
305S32.1Very low32.3Very low115 Ų115121.8 Ų121.880%0.80482%0.821SS**  trans-69.2143.3174.250.20000113.8
306A32.8Very low31.6Very low98 Ų98120.1 Ų120.181%0.8181%0.813SS**  158.7135.3110.400000115.2
307G28Very low31.6Very low83 Ų83120.2 Ų120.286%0.85681%0.813SS**  trans85.6131.6136.800000120.9
308G29.6Very low32.1Very low80 Ų80120.7 Ų120.783%0.82581%0.814SS**  trans88.5139.7170.400000114.1
309G27.8Very low31.3Very low66 Ų66117.9 Ų117.968%0.6881%0.808SS**  cis94.4132.310.500000111.8
310F30.7Very low31.5Very low189 Ų189117.3 Ų117.383%0.82981%0.813SS**  cis-163.514211.426.7-105.3000113.7
311T32.3Very low31.6Very low121 Ų121117.8 Ų117.874%0.74282%0.822SS**  trans32.1129.4144.263.70000123.6
312F29.1Very low31.5Very low222 Ų222116.2 Ų116.297%0.97482%0.817SS**  -164.6149.5123.4-93-72000107
313G28.2Very low31.7Very low75 Ų75116.9 Ų116.977%0.77381%0.809SS**  cis-177.6159-6.700000107.8
314G30.5Very low31.6Very low85 Ų85118.3 Ų118.388%0.87681%0.808SS**  trans-158.7163.9-173.100000116.5
315D29Very low31.7Very low153 Ų153120.8 Ų120.882%0.81881%0.805SS**  trans-167.8144.3-177.5-176.2-99.1000107.7
316S33.7Very low31.7Very low98 Ų98122.4 Ų122.469%0.68580%0.804SS**  cis-151.6171.1-19.6-1060000109.8
317T35.3Very low31.5Very low131 Ų131121 Ų12180%0.80480%0.799SS**  trans-112.1173.9-173.965.50000112.9
318P49.9Very low31.5Very low126 Ų126127.3 Ų127.382%0.81880%0.803SS**  -152.7136.590.936.8-17.3000118.6
319G28.8Very low31.5Very low67 Ų67132.3 Ų132.369%0.69181%0.805SS**  trans78.6147.5143.300000119.6
320L33.1Very low31.5Very low187 Ų187137.7 Ų137.798%0.97981%0.81SS**  cis-141171-3.8-71.8173.4000109.9
321A30.3Very low31.5Very low102 Ų102134.1 Ų134.184%0.84381%0.808SS**  trans-100.8160.6-160.500000116.5
322S28.1Very low31.6Very low114 Ų114132 Ų13280%0.79780%0.803SS**  -168136.1113-158.50000114.2
323S33.5Very low32.1Very low93 Ų93127.1 Ų127.165%0.6580%0.797SS**  trans54106.1155.7-77.40000123.5
324D30.3Very low32.5Very low154 Ų154130.9 Ų130.982%0.82480%0.799SS**  74.3103.9119.9-53-53.2000120.1
325E32.2Very low32.7Very low177 Ų177134.8 Ų134.883%0.82780%0.798SS**  trans-101-179.2172.1-175.9169.764.300111.1
326L31.7Very low32.9Very low149 Ų149139.5 Ų139.578%0.7881%0.805SS**  trans79.6121.1175.5-46.7173.9000113.6
327G29Very low33Very low68 Ų68138.8 Ų138.870%0.70181%0.805SS**  cis98.998.512.900000110.4
328F27.8Very low33.1Very low216 Ų216138.4 Ų138.495%0.94781%0.805SS**  trans-135.5141.3177.4-102.9-83.4000111.8
329E29.4Very low32.2Very low185 Ų185142 Ų14286%0.86481%0.808SS**  trans-90.8159.2-166.8-170.1169.579.700113.4
330F29.6Very low32.4Very low179 Ų179145.9 Ų145.979%0.78582%0.818SS**  trans-70.6129176.5-179.3-88.9000111.9
331S29.6Very low32.3Very low114 Ų114143.4 Ų143.480%0.79781%0.806SS**  trans-146.5121.3162.3-950000111.9
332A34.1Very low32.1Very low76 Ų76142 Ų14263%0.62880%0.801SS**  trans-80.8145.5170.700000110.2
333S39.9Very low32.2Very low121 Ų121140.1 Ų140.185%0.84680%0.799SS**  trans-150.7126.8164-81.20000110
334N36.2Very low31.9Very low154 Ų154140.9 Ų140.982%0.82481%0.811SS**  trans-82.6175171.4-76.5-78.5000110.6
335I35.5Very low31.9Very low167 Ų167137.2 Ų137.286%0.85681%0.81SS**  trans121.6128.8149-63.1162.2000114.8
336W34.1Very low31.8Very low251 Ų251133.9 Ų133.995%0.95181%0.806SS**  trans-62.2136.4172.2-117.7-53.3000112.7
337A34.3Very low31.7Very low84 Ų84135.3 Ų135.369%0.69481%0.806SS**  trans-150.3139.2146.300000109.6
338P37.2Very low31.5Very low123 Ų123138.1 Ų138.180%0.79981%0.81SS**  trans-80.7151.7-179.732.6-34.8000112.4V340P338-V340 PolarHBondContact O-N 3.42Å
339F31.8Very low31.5Very low202 Ų202133.4 Ų133.489%0.88680%0.804SS**  trans-68.6127.1178.9-69.2-94.9000112.7
340V32.7Very low31.4Very low148 Ų148129.6 Ų129.690%0.89780%0.804SS**  trans-124.6103.8144.958.80000107.6P338P338-V340 PolarHBondContact O-N 3.42Å
341N30.9Very low31.3Very low135 Ų135126.4 Ų126.472%0.72280%0.804SS**  trans-120.3110.2-177.5-173.520000110.8G343N341-G343 PolarHBondContact O-N 3.19Å
342G26Very low31.3Very low73 Ų73127 Ų12775%0.75381%0.808SS**  trans-81.396.316900000110.4A344G342-A344 PolarHBondContact O-N 3.12Å; G342-A344 VanDerWaalsContact O-N 3.11Å
343G29.6Very low31.3Very low73 Ų73132 Ų13275%0.75382%0.818SS**  trans-73.896.9-179.900000113.3N341N341-G343 PolarHBondContact O-N 3.19Å
344A28.8Very low31.6Very low109 Ų109130.8 Ų130.890%0.90181%0.807SS**  trans-80.1121.5167.700000110.6G342G342-A344 PolarHBondContact O-N 3.12Å; G342-A344 VanDerWaalsContact O-N 3.11Å
345G29.7Very low31.5Very low78 Ų78132.4 Ų132.480%0.80481%0.81SS**  trans-121.2136.2-177.800000113.6
346S29.6Very low31.2Very low107 Ų107131.9 Ų131.975%0.74880%0.804SS**  trans-159.4143.1173-156.20000106.3
347K29.4Very low31.9Very low178 Ų178125.5 Ų125.577%0.77480%0.795SS**  cis-155.2156.213.210.9-164.9164.5-176.40106
348T25.3Very low31.8Very low128 Ų128127.6 Ų127.679%0.78579%0.794SS**  -169.5141.585.135.90000114.7
349S27.6Very low31.3Very low116 Ų116133.2 Ų133.281%0.81180%0.799SS**  trans24.5120.7148.760.40000123.8
350A27.7Very low31.2Very low105 Ų105132.7 Ų132.787%0.86879%0.791SS**  -159.4150.112600000112.2
351S28.1Very low31.1Very low113 Ų113132.4 Ų132.479%0.7979%0.785SS**  trans-64.4138-168.450.40000119.4
352S29.4Very low31.3Very low125 Ų125130 Ų13087%0.87478%0.779SS**  173.2167.3115.146.70000113.3
353Q33.8Very low31.6Very low182 Ų182132.4 Ų132.485%0.8578%0.784SS**  trans-143.7177.4-172.8-122.6-158.2-6.700108.8
354P46.2Very low31.5Very low95 Ų95132 Ų13262%0.61778%0.78SS**  cis-135.8167.6-9.338.7-21.8000116
355Q33.2Very low31.7Very low189 Ų189134.8 Ų134.888%0.88378%0.779SS**  -176.6173.6118.6-99.2178.61.600112.5
356Q30.6Very low32Very low156 Ų156136.3 Ų136.373%0.72978%0.777SS**  trans-147.5177.3-167.1-104.3-152.746.700109.8
357P48.3Very low32Very low117 Ų117135.3 Ų135.376%0.7678%0.784SS**  cis-136.2-172.81836.1-13.4000117.2
358L31.4Very low32.1Very low127 Ų127131 Ų13167%0.66579%0.789SS**  trans-81.9158.5-175.6-62.463.3000114.8
359R27.5Very low32.5Very low241 Ų241129.1 Ų129.191%0.90979%0.787SS**  -165.2171.4125-80.1-137-179-129.9-2.9111
360R30.7Very low32.9Very low191 Ų191131.1 Ų131.172%0.72179%0.787SS**  -169134.2-78.4168-173.8-94.5-123.22.7109.4
361N30.6Very low33.2Very low142 Ų142132.2 Ų132.276%0.75978%0.783SS**  trans65.2159.7166.8-84.931.4000117.3
362S33.5Very low33.9Very low86 Ų86133.1 Ų133.160%0.60179%0.786SS**  cis-171.6158.9-17.546.50000111.3
363S33.2Very low34Very low123 Ų123137.6 Ų137.686%0.8678%0.784SS**  trans70.3152.8162.8-48.80000116.6
364G27.5Very low33.9Very low65 Ų65135.4 Ų135.467%0.6778%0.778SS**  cis165.2145.6-11.800000113.9
365L33.6Very low33.2Very low167 Ų167136.5 Ų136.587%0.87479%0.787SS**  trans67137.9163.8-87.375.1000121.6
366S35Very low33.5Very low110 Ų110133.4 Ų133.477%0.76978%0.783SS**  trans66.3101.2139.6-58.50000122
367G29.9Very low33.6Very low86 Ų86133 Ų13389%0.88779%0.792SS**  73.8127.498.200000119.9
368G31.9Very low33Very low86 Ų86135.1 Ų135.189%0.88780%0.796SS**  trans165.9141.4169.800000111.4
369A33.1Very low33.6Very low90 Ų90134.2 Ų134.274%0.74480%0.798SS**  trans-125.7178.9179.500000111.4
370I34.8Very low33.8Very low157 Ų157131.3 Ų131.381%0.80580%0.795SS**  trans67.9115170.669.5158.7000119
371T34.9Very low33.7Very low128 Ų128129.9 Ų129.979%0.78580%0.796SS**  152.6130.4121.945.10000111.3
372P43.4Very low33.8Very low133 Ų133129.5 Ų129.586%0.86480%0.799SS**  trans-98.2134.7167.334.4-28.6000111.3
373R31Very low33.8Very low218 Ų218128.7 Ų128.782%0.82380%0.804SS**  trans-133.2109.4174.1-162.9-172.7-167.7-75.50.6113.2
374L31.8Very low33.9Very low137 Ų137130.1 Ų130.172%0.71781%0.807SS**  trans26.7122148.4-54.9178.6000121
375S31.6Very low34.2Very low117 Ų117130.2 Ų130.282%0.81881%0.809SS**  trans94.9152.3136.7-60.10000120.6
376P39.2Very low34.9Very low124 Ų124128.1 Ų128.181%0.80581%0.805SS**  trans-117.4179-162.543.1-30.8000115
377T32.2Very low35Very low147 Ų147130.6 Ų130.690%0.90281%0.809SS**  trans-134.6154.917539.50000113.5
378L35.7Very low35.2Very low163 Ų163133.4 Ų133.485%0.85380%0.803SS**  trans-96.6163.3-176.2-95.4156.2000113.1
379P43.8Very low35.3Very low108 Ų108136.8 Ų136.870%0.70180%0.796SS**  -132.4155.8104.238.6-29.8000112.3
380Q32.1Very low36.3Very low180 Ų180137.9 Ų137.984%0.84180%0.796SS**  cis81.2128.732.2-163.2-172.85.200113.6
381E28.6Very low36.6Very low161 Ų161137.4 Ų137.475%0.75279%0.794SS**  cis-169.2-159.1-26.2-134.5-79137.400108.4
382T33.1Very low36.5Very low134 Ų134135 Ų13582%0.82279%0.787SS**  trans72.7132.1-17774.90000114.5
383G33.9Very low36.2Very low69 Ų69139.5 Ų139.571%0.71179%0.787SS**  cis176.2168.9-6.300000108.6
384V34.3Very low36.3Very low152 Ų152140.1 Ų140.192%0.92179%0.789SS**  cis-149.4-173.73-64.40000109.8
385G33.9Very low36.2Very low68 Ų68137.4 Ų137.470%0.70179%0.786SS**  trans-109.7-149.9-179.800000115
386P49.2Very low36.1Very low123 Ų123140.4 Ų140.480%0.79979%0.788SS**  cis-137.6174.7-1.243.1-27.2000115.9
387L36.6Very low35.8Very low161 Ų161138.4 Ų138.484%0.84378%0.777SS**  trans178.5119.4131.4-100.2166.7000114.7
388D34.4Very low35.9Very low145 Ų145138.4 Ų138.478%0.77577%0.771SS**  trans50.3152.9151.1-108.4-95.5000127.1
389H33.8Very low36.7Very low157 Ų157135.7 Ų135.773%0.72776%0.763SS**  trans-169.3138.7-170.5-136.163.6000113.2
390P54.5Low36.1Very low114 Ų114138.7 Ų138.774%0.7477%0.772SS**  -138.7129.5128.415.76.1000113.3
391L40.3Very low36.4Very low146 Ų146135.2 Ų135.276%0.76477%0.768SS**  68135.875.4-66.5175000114.4
392A32.6Very low36.4Very low78 Ų78134.3 Ų134.365%0.64577%0.773SS**  cis-158.5-176.9-3.600000108.4
393R38.3Very low36.4Very low228 Ų228135.6 Ų135.686%0.8677%0.774SS**  cis-143.2143.919.6-74-177.4172.1-161-1.9109.1
394R31.6Very low36.1Very low231 Ų231137.4 Ų137.487%0.87278%0.776SS**  41.4140.390.5-68.8-172.8178.3118.6-1.2116.3
395A30.1Very low35.9Very low80 Ų80141.2 Ų141.266%0.66177%0.774SS**  cis178.9152.5-15.100000109.4
396Q30.1Very low35.9Very low180 Ų180144.7 Ų144.784%0.84178%0.776SS**  trans39.5149.9145.5-53.4-65.50.100121.1
397S33.3Very low35.1Very low82 Ų82146.4 Ų146.457%0.57377%0.773SS**  cis-167.5172.4-15.759.50000110.2
398D33Very low34.8Very low146 Ų146144.3 Ų144.378%0.78177%0.772SS**  trans72.5149158.4-62-58.7000122
399P53.9Low34.6Very low106 Ų106141.1 Ų141.169%0.68877%0.774SS**  trans-111.4159.2-179.741.1-32.8000114.3
400L29.9Very low34.5Very low172 Ų172139.4 Ų139.490%0.90178%0.779SS**  178.1160.3125.2-98163000112.9
401S38.1Very low33.4Very low107 Ų107140.4 Ų140.475%0.74878%0.784SS**  trans-80143.3-167.5-40.80000115.6
402T30.1Very low33Very low141 Ų141137.5 Ų137.587%0.86579%0.789SS**  trans-145.7115.9150.136.10000114.5
403L32.1Very low33Very low161 Ų161137.7 Ų137.784%0.84380%0.799SS**  trans9.8137.4152.8-59.3175000123.9
404S28.4Very low32.7Very low108 Ų108132.9 Ų132.976%0.75580%0.8SS**  trans64.9118.3132.4-63.10000122.9
405W29Very low33Very low231 Ų231127.1 Ų127.188%0.87580%0.795SS**  -176.4130.9120.860-41.5000113.4
406L34.5Very low33.1Very low142 Ų142133.6 Ų133.674%0.74381%0.809SS**  trans55.2153.2151.1-65.9168.5000119.5
407Q31.7Very low33.2Very low158 Ų158130.8 Ų130.874%0.73881%0.809SS**  cis-153.9150.66.5-161.6147.64.800113.9
408S30.3Very low33Very low117 Ų117130.2 Ų130.282%0.81882%0.816SS**  trans49.8128.2153.2-69.10000124.3
409G30.8Very low33Very low79 Ų79127.8 Ų127.881%0.81482%0.816SS**  trans179.9119.8155.700000112.3
410S31.8Very low32Very low120 Ų120127.7 Ų127.784%0.83982%0.818SS**  trans-81.2168.4-179.6-52.30000112
411T32.3Very low32.2Very low136 Ų136125 Ų12583%0.83481%0.814SS**  cis-159.6151.137.649.70000114.4
412G31.3Very low31.9Very low85 Ų85124.3 Ų124.388%0.87681%0.809SS**  trans81.3142.1166.700000114.8
413G31.3Very low32Very low82 Ų82122.7 Ų122.785%0.84580%0.804SS**  cis120.712312.500000109.1
414S33.4Very low32.3Very low126 Ų126120.4 Ų120.488%0.88180%0.801SS**  cis-144.6167.214.154.50000113
415S38Very low32.3Very low111 Ų111119.3 Ų119.378%0.77681%0.807SS**  trans-96.1155.6-175.3-41.60000115
416F31Very low32.4Very low215 Ų215111.7 Ų111.794%0.94380%0.8SS**  -148.3160.4128.763.2-95000110.8
417S33.6Very low32.3Very low121 Ų121111.2 Ų111.285%0.84681%0.808SS**  trans-129.1152.6-165.2-57.60000113.2
418G28.6Very low32.6Very low71 Ų71108.2 Ų108.273%0.73281%0.805SS**  trans168.593.4173.200000109.1
419A32.7Very low32.9Very low94 Ų94108.9 Ų108.978%0.77780%0.804SS**  65.5123.753.300000112.5
420S32.7Very low32.8Very low104 Ų104108.9 Ų108.973%0.72780%0.804SS**  cis-165.2156.1-5.8-84.70000110.5
421S33.7Very low32.7Very low116 Ų116113.9 Ų113.981%0.81181%0.806SS**  trans60.4154.9149.559.80000118.9
422S32.8Very low32.7Very low93 Ų93112.7 Ų112.765%0.6580%0.804SS**  cis-149.9143.4-0.4-9.40000107.1
423S32.4Very low32.6Very low107 Ų107113.8 Ų113.875%0.74880%0.798SS**  48.4140.292.787.90000115.5
424S37.1Very low32.5Very low113 Ų113115.6 Ų115.679%0.7980%0.796SS**  cis-157.8154.625.7-55.10000114.1
425G29.2Very low32.4Very low85 Ų85115.1 Ų115.188%0.87679%0.793SS**  trans89.3143.3152.100000117.8
426G30.8Very low32.2Very low71 Ų71113.8 Ų113.873%0.73279%0.789SS**  cis164.3132.7-10.500000114.3
427S32.9Very low32.3Very low131 Ų131108.8 Ų108.892%0.91678%0.78SS**  trans67.4154.8173.8-59.60000116.2
428S37.4Very low32.2Very low95 Ų95108.5 Ų108.566%0.66478%0.778SS**  cis-139.2147.311.756.40000114.7
429T37.3Very low32.5Very low132 Ų132112.5 Ų112.581%0.8178%0.782SS**  trans49.8102.815056.40000119.1
430G29.1Very low33.3Very low79 Ų79113.8 Ų113.881%0.81478%0.783SS**  trans-97.5164.1149.300000111.5
431Y29.7Very low33Very low225 Ų225112.7 Ų112.788%0.88279%0.788SS**  trans-138.214916149.1-97.7000108.6
432S30.8Very low32.7Very low111 Ų111111 Ų11178%0.77679%0.788SS**  trans-117.9148.4-164.4-55.90000113.1
433S30.8Very low32.7Very low108 Ų108112.3 Ų112.376%0.75580%0.797SS**  trans76.6138.7146.8-560000121.2
434C27.8Very low33.5Very low120 Ų120113 Ų11381%0.81180%0.799SS**  trans59.2123138.770.40000122.6
435S33Very low33.4Very low115 Ų115114.1 Ų114.180%0.80480%0.802SS**  trans-52.3168.4142.1-28.50000112
436A32.4Very low33.4Very low84 Ų84117.6 Ų117.669%0.69480%0.8SS**  cis-163.8-173.915.700000112.2
437S33.5Very low33.6Very low110 Ų110119.1 Ų119.177%0.76980%0.799SS**  trans87.4116.6141.6-61.50000121.9
438S30.8Very low33.8Very low115 Ų115121.8 Ų121.880%0.80480%0.797SS**  trans-173.5162.3139.3-83.40000109.7
439L34.8Very low33.5Very low154 Ų154121.2 Ų121.281%0.80681%0.807SS**  cis-177.4165.6-34.3-103.9-178.6000105.3
440P49.8Very low33.2Very low122 Ų122118.4 Ų118.479%0.79280%0.804SS**  cis-126.7-177.1-14.441.4-26.1000113.5
441G26.3Very low33.3Very low81 Ų81120.5 Ų120.584%0.83581%0.806SS**  trans-162.6142.216500000110.4
442G28.7Very low33.4Very low80 Ų80115.6 Ų115.683%0.82581%0.805SS**  trans-120.1167.6-167.300000116.2
443S32.7Very low33.5Very low120 Ų120117.7 Ų117.784%0.83981%0.808SS**  trans-71.1173177.9-37.80000113.2
444P48.1Very low33.6Very low121 Ų121119.6 Ų119.679%0.78681%0.814SS**  -147.3177.882.840.7-22.8000117.4
445T35.9Very low33.6Very low138 Ų138117.2 Ų117.285%0.84781%0.81SS**  trans-38.2158.6172.252.70000119.9
446D28.3Very low33.6Very low158 Ų158119.2 Ų119.285%0.84581%0.81SS**  trans-147.4131.4161.1-145.7-29.8000111.5
447S35.4Very low33.5Very low102 Ų102120.8 Ų120.871%0.71381%0.811SS**  trans171.5140.4167-78.70000112.1
448E37.6Very low33.5Very low187 Ų187121.4 Ų121.487%0.87482%0.815SS**  trans157.6118.7135.1-83.8-52.39000113.1
449G29.9Very low33.5Very low84 Ų84119.7 Ų119.787%0.86682%0.816SS**  trans77.8151.1162.900000119.2
450G31.5Very low33.5Very low73 Ų73121 Ų12175%0.75382%0.82SS**  cis174.3138.4-10.800000115.9
451S30.8Very low32.6Very low122 Ų122122.9 Ų122.985%0.85382%0.822SS**  trans53.9124.9150.5-55.80000124.2
452S32Very low32.8Very low123 Ų123123 Ų12386%0.8681%0.811SS**  -179.1165.6120.9-79.90000113.9
453N32.6Very low33.1Very low155 Ų155129.7 Ų129.783%0.82981%0.811SS**  trans-102.5170.9-155.4-72.7-6.3000118.7
454V33Very low33.3Very low148 Ų148132.2 Ų132.290%0.89781%0.814SS**  trans90.3146.4161.9-35.80000118.9
455G28.1Very low32.4Very low69 Ų69136.7 Ų136.771%0.71182%0.821SS**  cis159176.5-12.900000116.4
456I33.4Very low32.1Very low157 Ų157133.6 Ų133.681%0.80582%0.817SS**  trans77.6111.3160.4-55.8-61.5000120.6
457T30.3Very low32.3Very low117 Ų117132 Ų13272%0.71882%0.818SS**  trans61.7116.4151.456.90000125.2
458S33.1Very low32.4Very low124 Ų124133.4 Ų133.487%0.86783%0.828SS**  56.3124.5114.3-48.10000123.6
459G30.9Very low32.1Very low79 Ų79127.7 Ų127.781%0.81482%0.819SS**  trans-168.7136.915600000111.4
460M34.4Very low32.3Very low180 Ų180131 Ų13189%0.88782%0.822SS**  trans-125.4169.1-179.1-84-163.8171.200112
461L31.8Very low32.2Very low162 Ų162132.5 Ų132.585%0.84883%0.827SS**  trans77.3149.4169.3-49.5172.9000114.9
462S30.2Very low32.4Very low85 Ų85131 Ų13159%0.59482%0.822SS**  cis-170.7158.2-18.5-109.30000111.7
463R35.2Very low32.4Very low220 Ų220133.1 Ų133.183%0.8382%0.823SS**  trans64.2106.7150.2-67.5167.9-177.2-142.7-2.6120.5
464L37.4Very low32.3Very low172 Ų172132.8 Ų132.890%0.90183%0.826SS**  34.4110.6113.3-62.5166.7000119
465K29.2Very low32.2Very low216 Ų216129.2 Ų129.294%0.93982%0.819SS**  -167.1151.8106.8-158.4158.4-175.6174.40109.8
466G29.3Very low32.3Very low73 Ų73132.7 Ų132.775%0.75383%0.827SS**  trans-129.3157.4-179.400000114
467S32.6Very low32.4Very low124 Ų124128.9 Ų128.987%0.86783%0.825SS**  trans-159.6147.4156.556.50000109.4
468S36.7Very low32.5Very low132 Ų132128.4 Ų128.492%0.92382%0.822SS**  trans-62.2146.6-176.3-45.50000113.8
469G30.6Very low32.6Very low66 Ų66124.8 Ų124.868%0.6881%0.805SS**  trans169.378172.500000116.4
470V35.9Very low33.3Very low155 Ų155128 Ų12894%0.93981%0.812SS**  trans9.4105.3157.2-72.70000119.2
471A29.1Very low34Very low103 Ų103122.5 Ų122.585%0.85180%0.8SS**  trans-148.1142.7152.900000110.2
472A34.4Very low35Very low90 Ų90119.7 Ų119.774%0.74479%0.79SS**  trans-100179.6171.100000110.8
473L31.1Very low36.6Very low168 Ų168120.9 Ų120.988%0.8879%0.79SS**  trans113.1151.7160.9-59.3175.9000116.2
474V31.3Very low38.8Very low148 Ų148116.1 Ų116.190%0.89777%0.771SS**  trans63.9100.6-177.9-164.80000114.1
475G31.3Very low41.4Very low73 Ų73112.1 Ų112.175%0.75375%0.751SS**  trans-93.6166.317200000113.1
476V30.6Very low44.4Very low143 Ų143101.9 Ų101.987%0.86771%0.707SS**  trans-113143161.81790000107.5
477G35.4Very low47.3Very low76 Ų76103.3 Ų103.378%0.78469%0.692SS**  trans-67.8131.1-170.700000113.5
478V32.6Very low50.1Low107 Ų107100.6 Ų100.665%0.64867%0.671SS**  trans-91.3105.2171.7174.60000109.2V482V478-V482 HydrophobicContact CG1-CB 4.35Å; V478-V482 HydrophobicContact CG1-CG1 3.72Å; V478-V482 HydrophobicContact CG1-CG2 3.67Å; V478-V482 HydrophobicContact CG2-CG1 4.37Å
479G33.6Very low52.7Low49 Ų4996.2 Ų96.251%0.50564%0.639SS.*  trans-70.3167.6161.100000111.4G481G479-G481 PolarHBondContact O-N 2.91Å
480P46Very low55.5Low147 Ų14799.5 Ų99.596%0.95564%0.635SS**SBendtrans-65.1125.8177.728.4-33.8000110.2
481G49.9Very low58.1Low63 Ų63100.4 Ų100.465%0.64963%0.629SS**  trans121.529179.300000116.4G479 N483G479-G481 PolarHBondContact O-N 2.91Å; G481-N483 VanDerWaalsContact C-N 3.34Å; G481-N483 PolarHBondContact O-N 2.9Å
482V52.6Low61Low103 Ų10398 Ų9862%0.62461%0.606SS**  trans-71.293.7160.7-83.30000109.5V478 R484V478-V482 HydrophobicContact CG1-CB 4.35Å; V478-V482 HydrophobicContact CG1-CG1 3.72Å; V478-V482 HydrophobicContact CG1-CG2 3.67Å; V478-V482 HydrophobicContact CG2-CG1 4.37Å; V482-R484 PolarHBondContact O-N 3.39Å
483N63.1Low63.8Low111 Ų11199.1 Ų99.159%0.59460%0.596SS**  trans-53.5128.8164.2-63.7-17.5000108G481 D485G481-N483 VanDerWaalsContact C-N 3.34Å; G481-N483 PolarHBondContact O-N 2.9Å; N483-D485 PolarHBondContact O-N 3.49Å
484R82.4Confident66.7Low119 Ų11991.8 Ų91.845%0.44956%0.558SS.*  trans-84.2107.5170.1-67174.474-129.95.4105.4V482 V494 N504V482-R484 PolarHBondContact O-N 3.39Å; R484-V494 HydrophobicContact CB-CB 4.02Å; R484-V494 HydrophobicContact CB-CG2 4.03Å; R484-V494 VanDerWaalsContact O-CB 3.3Å; R484-V494 WeakPolarHBondContact O-CB 3.19Å; R484-V494 WeakPolarHBondContact O-CG2 3.42Å; R484-V494 PolarHBondContact O-N 2.94Å; R484-N504 VanDerWaalsContact CZ-O 3.3Å; R484-N504 PolarHBondContact NH1-O 2.89Å; R484-N504 PolarHBondContact NH2-O 2.71Å; R484-N504 PolarHBondContact NH2-OD1 2.99Å; R484-N504 VanDerWaalsContact NH2-OD1 3.15Å
485D91.5Very high69.7Low89 Ų8985.7 Ų85.748%0.47652%0.521SS..BIsolated β-bridgetrans-77.9149.5179.6-54.7-47000111.1N483 F487N483-D485 PolarHBondContact O-N 3.49Å; D485-F487 PolarHBondContact O-N 3.06Å
486C92.7Very high72.7Confident0 Ų082.2 Ų82.20%049%0.485CS..  trans-64.1128.6-177.91740000111.3V488 C489 F490 S492 C507C486-V488 PolarHBondContact O-N 3.01Å; C486-C489 VanDerWaalsContact CB-SG 3.59Å; C486-F490 VanDerWaalsContact O-CA 3.27Å; C486-F490 WeakPolarHBondContact O-CA 3.25Å; C486-F490 PolarHBondContact O-N 2.97Å; C486-S492 WeakPolarHBondContact CB-O 3.45Å; C486-S492 PolarHBondContact N-O 3.16Å; C486-C507 HydrophobicContact CB-CB 3.99Å; C486-C507 PolarHBondContact SG-N 3.34Å
487F90.9Very high75.8Confident103 Ų10375.7 Ų75.745%0.45245%0.447SS..THydrogen-bonded Turntrans-64.5-6.4-178.9-171.7-102000115D485 F490 L505 F506 V524D485-F487 PolarHBondContact O-N 3.06Å; F487-F490 WeakPolarHBondContact O-CE2 3.23Å; F487-F490 VanDerWaalsContact O-CZ 3.27Å; F487-F490 WeakPolarHBondContact O-CZ 3.47Å; F487-L505 HydrophobicContact CB-CB 4.2Å; F487-L505 WeakPolarHBondContact CB-O 3.49Å; F487-L505 PolarHBondContact N-O 3.42Å; F487-F506 HydrophobicContact CB-CE1 4.36Å; F487-V524 HydrophobicContact CD1-CG2 4.19Å; F487-V524 HydrophobicContact CE1-CG2 4.26Å
488V90.2Very high78.6Confident68 Ų6872.1 Ų72.141%0.41241%0.409SS..THydrogen-bonded Turntrans-106.5-50.3-179.2177.10000112C486 F506 C510 I514C486-V488 PolarHBondContact O-N 3.01Å; V488-F506 HydrophobicContact CG2-CD1 3.81Å; V488-F506 HydrophobicContact CG2-CE1 3.89Å; V488-C510 HydrophobicContact CB-CB 3.86Å; V488-C510 HydrophobicContact CG1-CB 4.02Å; V488-C510 HydrophobicContact CG2-CB 4.3Å; V488-I514 HydrophobicContact CG2-CD1 4.19Å
489C92.5Very high81.5Confident39 Ų3968.7 Ų68.726%0.26439%0.388SS..THydrogen-bonded Turntrans-99-19.5-17964.80000114.5C486 E491C486-C489 VanDerWaalsContact CB-SG 3.59Å; C489-E491 PolarHBondContact O-N 3.45Å
490F89.4Confident84.2Confident135 Ų13570.6 Ų70.659%0.59239%0.392SS*.SBendtrans573.2-175.2-56.7-84.9000116.4C486 F487C486-F490 VanDerWaalsContact O-CA 3.27Å; C486-F490 WeakPolarHBondContact O-CA 3.25Å; C486-F490 PolarHBondContact O-N 2.97Å; F487-F490 WeakPolarHBondContact O-CE2 3.23Å; F487-F490 VanDerWaalsContact O-CZ 3.27Å; F487-F490 WeakPolarHBondContact O-CZ 3.47Å
491E90Very high86.5Confident175 Ų17565 Ų6582%0.81836%0.356SS*.SBendtrans-107.2-20.6-177.6-69.6174.6168.700114.2C489C489-E491 PolarHBondContact O-N 3.45Å
492S90Very high88.5Confident52 Ų5264.4 Ų64.436%0.36435%0.35SS..SBendtrans-118.1142.4-172.2-58.50000112C486C486-S492 WeakPolarHBondContact CB-O 3.45Å; C486-S492 PolarHBondContact N-O 3.16Å
493E92.4Very high90.4Very high113 Ų11362 Ų6253%0.52833%0.332SS..BIsolated β-bridgetrans-62.7147.2176.455.9159.8-157.200113.8T495 C507E493-T495 HydrophobicContact CG-CG2 3.87Å; E493-T495 PolarHBondContact O-N 2.83Å; E493-T495 VanDerWaalsContact O-N 3.11Å; E493-T495 PolarHBondContact O-OG1 2.81Å; E493-T495 WeakPolarHBondContact OE1-CG2 3.29Å; E493-C507 WeakPolarHBondContact O-CA 3.36Å; E493-C507 VanDerWaalsContact O-CB 3.27Å; E493-C507 WeakPolarHBondContact O-CB 3.3Å
494V93.4Very high91.8Very high15 Ų1560.2 Ų60.29%0.09132%0.322CS..  trans-67.7105.3175.3166.70000110.4R484 N504 F506 I535R484-V494 HydrophobicContact CB-CB 4.02Å; R484-V494 HydrophobicContact CB-CG2 4.03Å; R484-V494 VanDerWaalsContact O-CB 3.3Å; R484-V494 WeakPolarHBondContact O-CB 3.19Å; R484-V494 WeakPolarHBondContact O-CG2 3.42Å; R484-V494 PolarHBondContact O-N 2.94Å; V494-N504 WeakPolarHBondContact CG1-O 3.3Å; V494-F506 WeakPolarHBondContact CA-O 3.38Å; V494-I535 HydrophobicContact CG1-CD1 4.21Å
495T93.6Very high92.3Very high19 Ų1956.8 Ų56.812%0.11731%0.313CS..  trans-1260.9-175.240.80000112.7E493 F506 C507 M508 R534 I535E493-T495 HydrophobicContact CG-CG2 3.87Å; E493-T495 PolarHBondContact O-N 2.83Å; E493-T495 VanDerWaalsContact O-N 3.11Å; E493-T495 PolarHBondContact O-OG1 2.81Å; E493-T495 WeakPolarHBondContact OE1-CG2 3.29Å; T495-F506 PolarHBondContact N-O 3.31Å; T495-C507 WeakPolarHBondContact OG1-CA 3.36Å; T495-M508 PolarHBondContact OG1-N 3.01Å; T495-R534 WeakPolarHBondContact O-CA 3.43Å; T495-R534 WeakPolarHBondContact O-CG 3.49Å; T495-I535 PolarHBondContact O-N 2.89Å
496A93.9Very high92.4Very high0 Ų052.6 Ų52.60%029%0.29CS..EExtended strand (participates in β ladder)trans-134.6153.8-178.200000113.4F506 M508 A511 I533A496-F506 PolarHBondContact N-O 2.91Å; A496-M508 HydrophobicContact CB-CE 3.9Å; A496-A511 HydrophobicContact CB-CB 3.47Å; A496-A511 VanDerWaalsContact CB-CB 3.47Å; A496-I533 VanDerWaalsContact CA-O 3.27Å; A496-I533 WeakPolarHBondContact CA-O 3.44Å
497A94.8Very high92.5Very high7 Ų752.9 Ų52.96%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-128145.6166.400000110.9H503 N504 C532 I533 I535A497-H503 VanDerWaalsContact CA-O 3.31Å; A497-H503 WeakPolarHBondContact CA-O 3.48Å; A497-N504 HydrophobicContact CB-CB 4.19Å; A497-C532 WeakPolarHBondContact O-CA 3.48Å; A497-I533 HydrophobicContact CB-CG1 4.15Å; A497-I533 PolarHBondContact N-O 2.79Å; A497-I533 WeakPolarHBondContact O-CG1 3.35Å; A497-I533 PolarHBondContact O-N 2.85Å; A497-I535 HydrophobicContact CB-CG2 4.04Å
498L95.4Very high92.7Very high0 Ų050.5 Ų50.50%028%0.283CS..EExtended strand (participates in β ladder)trans-90.6141.2179-58.2-174000111.3G502 H503 F506 A511 I514 C522 T529 C532L498-G502 WeakPolarHBondContact O-CA 3.47Å; L498-G502 PolarHBondContact O-N 2.9Å; L498-H503 PolarHBondContact N-O 2.96Å; L498-F506 HydrophobicContact CD1-CD2 3.89Å; L498-F506 HydrophobicContact CD1-CE2 3.51Å; L498-F506 HydrophobicContact CD1-CZ 4.01Å; L498-F506 HydrophobicContact CD2-CD2 4.3Å; L498-F506 HydrophobicContact CG-CD2 3.69Å; L498-F506 HydrophobicContact CG-CE2 3.72Å; L498-A511 HydrophobicContact CD2-CB 3.74Å; L498-I514 HydrophobicContact CD1-CD1 4.22Å; L498-I514 HydrophobicContact CD1-CG2 3.96Å; L498-C522 HydrophobicContact CD1-CB 3.86Å; L498-T529 HydrophobicContact CB-CG2 3.77Å; L498-T529 HydrophobicContact CD1-CG2 4.3Å; L498-T529 HydrophobicContact CD2-CG2 4.07Å; L498-T529 HydrophobicContact CG-CG2 4.23Å; L498-C532 HydrophobicContact CD2-CB 4.05Å
499V94.2Very high92.9Very high35 Ų3553.6 Ų53.621%0.21229%0.293CS..EExtended strand (participates in β ladder)trans-114.3134.8-178.3179.50000109T529 T530 Q531 I533V499-T529 CarbonylContact O-C 3.42Å; V499-T529 WeakPolarHBondContact O-CA 3.43Å; V499-T530 PolarHBondContact O-N 3.4Å; V499-T530 PolarHBondContact O-OG1 3.25Å; V499-Q531 HydrophobicContact CB-CG 3.6Å; V499-Q531 WeakPolarHBondContact CB-O 3.46Å; V499-Q531 HydrophobicContact CG1-CG 3.97Å; V499-Q531 HydrophobicContact CG2-CG 3.93Å; V499-Q531 PolarHBondContact N-O 2.93Å; V499-I533 HydrophobicContact CG2-CD1 4.09Å; V499-I533 HydrophobicContact CG2-CG1 4.05Å; V499-I533 HydrophobicContact CG2-CG2 3.89Å
500P90.3Very high93Very high89 Ų8952.2 Ų52.258%0.57828%0.283SS*.THydrogen-bonded Turncis-88.3-6.311.835-36.1000115.7G502 T527 P528P500-G502 VanDerWaalsContact C-N 3.33Å; P500-G502 PolarHBondContact O-N 3.39Å; P500-T527 HydrophobicContact CG-CG2 4.2Å; P500-P528 VanDerWaalsContact CD-O 3.3Å; P500-P528 WeakPolarHBondContact CD-O 3.13Å
501C94.1Very high93.3Very high31 Ų3145.8 Ų45.821%0.20926%0.255CS..THydrogen-bonded Turntrans-74.2-14.2-166.170.40000115.9H503 C522 C525 T527C501-H503 VanDerWaalsContact C-N 3.28Å; C501-H503 PolarHBondContact O-N 3.41Å; C501-H503 PolarHBondContact O-ND1 2.88Å; C501-H503 PolarHBondContact SG-ND1 3.36Å; C501-H503 VanDerWaalsContact SG-ND1 3.41Å; C501-C522 VanDerWaalsContact SG-SG 3.64Å; C501-C525 VanDerWaalsContact CB-SG 3.54Å; C501-T527 HydrophobicContact CB-CG2 4.09Å
502G91.3Very high93.5Very high50 Ų5037.9 Ų37.952%0.51522%0.221SC..  trans75.14.3175.200000116L498 P500 N504L498-G502 WeakPolarHBondContact O-CA 3.47Å; L498-G502 PolarHBondContact O-N 2.9Å; P500-G502 VanDerWaalsContact C-N 3.33Å; P500-G502 PolarHBondContact O-N 3.39Å; G502-N504 PolarHBondContact O-N 2.82Å; G502-N504 VanDerWaalsContact O-N 3.15Å
503H93.4Very high93.6Very high53 Ų5340.6 Ų40.625%0.24523%0.228CC..  trans-67.9113.7-173.8-77.184.6000112.1A497 L498 C501 L505 F506 V524 C525A497-H503 VanDerWaalsContact CA-O 3.31Å; A497-H503 WeakPolarHBondContact CA-O 3.48Å; L498-H503 PolarHBondContact N-O 2.96Å; C501-H503 VanDerWaalsContact C-N 3.28Å; C501-H503 PolarHBondContact O-N 3.41Å; C501-H503 PolarHBondContact O-ND1 2.88Å; C501-H503 PolarHBondContact SG-ND1 3.36Å; C501-H503 VanDerWaalsContact SG-ND1 3.41Å; H503-L505 PolarHBondContact O-N 3.46Å; H503-F506 HydrophobicContact CB-CE2 4.1Å; H503-V524 VanDerWaalsContact CD2-CG1 3.44Å; H503-V524 WeakPolarHBondContact CD2-CG1 3.32Å; H503-C525 PolarHBondContact CE1-SG 3.33Å; H503-C525 PolarHBondContact ND1-SG 2.87Å; H503-C525 VanDerWaalsContact ND1-SG 3.38Å
504N92.3Very high93.7Very high72 Ų7236.3 Ų36.339%0.38521%0.208SC..  trans-99.565.7-176.662.25.7000111.4R484 V494 A497 G502 I535R484-N504 VanDerWaalsContact CZ-O 3.3Å; R484-N504 PolarHBondContact NH1-O 2.89Å; R484-N504 PolarHBondContact NH2-O 2.71Å; R484-N504 PolarHBondContact NH2-OD1 2.99Å; R484-N504 VanDerWaalsContact NH2-OD1 3.15Å; V494-N504 WeakPolarHBondContact CG1-O 3.3Å; A497-N504 HydrophobicContact CB-CB 4.19Å; G502-N504 PolarHBondContact O-N 2.82Å; G502-N504 VanDerWaalsContact O-N 3.15Å; N504-I535 HydrophobicContact CB-CD1 3.78Å
505L92.3Very high93.6Very high48 Ų4837.2 Ų37.225%0.25122%0.215SC..  trans-132.718-174-71.6170.5000113.3F487 H503 V524F487-L505 HydrophobicContact CB-CB 4.2Å; F487-L505 WeakPolarHBondContact CB-O 3.49Å; F487-L505 PolarHBondContact N-O 3.42Å; H503-L505 PolarHBondContact O-N 3.46Å; L505-V524 HydrophobicContact CD1-CG1 4.32Å; L505-V524 HydrophobicContact CD1-CG2 3.97Å
506F93.7Very high93.5Very high0 Ų044 Ų440%025%0.246CC..BIsolated β-bridgetrans-130.7147.5-171.9-49.7-73.4000112.1F487 V488 V494 T495 A496 L498 H503 A511 I514 P523 V524F487-F506 HydrophobicContact CB-CE1 4.36Å; V488-F506 HydrophobicContact CG2-CD1 3.81Å; V488-F506 HydrophobicContact CG2-CE1 3.89Å; V494-F506 WeakPolarHBondContact CA-O 3.38Å; T495-F506 PolarHBondContact N-O 3.31Å; A496-F506 PolarHBondContact N-O 2.91Å; L498-F506 HydrophobicContact CD1-CD2 3.89Å; L498-F506 HydrophobicContact CD1-CE2 3.51Å; L498-F506 HydrophobicContact CD1-CZ 4.01Å; L498-F506 HydrophobicContact CD2-CD2 4.3Å; L498-F506 HydrophobicContact CG-CD2 3.69Å; L498-F506 HydrophobicContact CG-CE2 3.72Å; H503-F506 HydrophobicContact CB-CE2 4.1Å; F506-A511 HydrophobicContact CB-CB 3.92Å; F506-I514 HydrophobicContact CD1-CD1 4.05Å; F506-I514 HydrophobicContact CE1-CD1 4.03Å; F506-P523 HydrophobicContact CE1-CG 3.63Å; F506-P523 HydrophobicContact CZ-CG 3.76Å; F506-V524 HydrophobicContact CZ-CG2 3.99Å
507C95Very high93.3Very high6 Ų646.7 Ų46.74%0.04127%0.265CS..  trans-76.6163.2160.670.40000110C486 E493 T495 E509 A511C486-C507 HydrophobicContact CB-CB 3.99Å; C486-C507 PolarHBondContact SG-N 3.34Å; E493-C507 WeakPolarHBondContact O-CA 3.36Å; E493-C507 VanDerWaalsContact O-CB 3.27Å; E493-C507 WeakPolarHBondContact O-CB 3.3Å; T495-C507 WeakPolarHBondContact OG1-CA 3.36Å; C507-E509 VanDerWaalsContact C-N 3.27Å; C507-E509 PolarHBondContact O-N 2.71Å; C507-A511 VanDerWaalsContact O-CB 3.26Å; C507-A511 WeakPolarHBondContact O-CB 3.25Å; C507-A511 PolarHBondContact O-N 2.84Å
508M94.5Very high93Very high54 Ų5451.6 Ų51.627%0.26631%0.305SS..Hα-helixtrans-55.8-40.4-179.5-172.353.754.700113.4T495 A496 A511 G512 R534T495-M508 PolarHBondContact OG1-N 3.01Å; A496-M508 HydrophobicContact CB-CE 3.9Å; M508-A511 PolarHBondContact O-N 2.83Å; M508-G512 PolarHBondContact O-N 3.26Å; M508-R534 VanDerWaalsContact CE-CA 3.45Å; M508-R534 HydrophobicContact CE-CB 3.44Å; M508-R534 VanDerWaalsContact CE-CB 3.44Å; M508-R534 HydrophobicContact CE-CG 3.63Å
509E95.1Very high92.7Very high133 Ų13359.4 Ų59.462%0.62134%0.342SS*.Hα-helixtrans-65.9-53.7-176.1-159.361-140.600111.6C507 A511 G512 Q513C507-E509 VanDerWaalsContact C-N 3.27Å; C507-E509 PolarHBondContact O-N 2.71Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.89Å; E509-G512 PolarHBondContact O-N 2.69Å; E509-Q513 WeakPolarHBondContact O-CG 3.3Å; E509-Q513 PolarHBondContact O-N 3.47Å
510C94.9Very high92.5Very high9 Ų959.8 Ų59.86%0.06135%0.345CS..Hα-helixtrans-64.5-35.7177.5-62.70000112.3V488 Q513 I514V488-C510 HydrophobicContact CB-CB 3.86Å; V488-C510 HydrophobicContact CG1-CB 4.02Å; V488-C510 HydrophobicContact CG2-CB 4.3Å; C510-Q513 PolarHBondContact O-N 2.86Å; C510-I514 WeakPolarHBondContact O-CD1 3.36Å; C510-I514 VanDerWaalsContact O-CG1 3.29Å; C510-I514 WeakPolarHBondContact O-CG1 3.17Å; C510-I514 PolarHBondContact O-N 3.38Å
511A94.7Very high92.7Very high0 Ų059.8 Ų59.80%034%0.337CS..Hα-helixtrans-65.5-39.8175.100000112A496 L498 F506 C507 M508 E509 C515 C532A496-A511 HydrophobicContact CB-CB 3.47Å; A496-A511 VanDerWaalsContact CB-CB 3.47Å; L498-A511 HydrophobicContact CD2-CB 3.74Å; F506-A511 HydrophobicContact CB-CB 3.92Å; C507-A511 VanDerWaalsContact O-CB 3.26Å; C507-A511 WeakPolarHBondContact O-CB 3.25Å; C507-A511 PolarHBondContact O-N 2.84Å; M508-A511 PolarHBondContact O-N 2.83Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.89Å; A511-C515 PolarHBondContact O-N 3.49Å; A511-C515 VanDerWaalsContact O-N 3.15Å; A511-C515 PolarHBondContact O-SG 3.43Å; A511-C532 HydrophobicContact CB-CB 3.65Å
512G93.4Very high92.7Very high10 Ų1058.3 Ų58.310%0.10333%0.327CS..Hα-helixtrans-64.8-42.1173.800000112.5M508 E509 C515 Q516M508-G512 PolarHBondContact O-N 3.26Å; E509-G512 PolarHBondContact O-N 2.69Å; G512-C515 PolarHBondContact O-N 3.37Å; G512-Q516 VanDerWaalsContact C-NE2 3.34Å; G512-Q516 WeakPolarHBondContact O-CG 3.43Å; G512-Q516 PolarHBondContact O-N 3.02Å; G512-Q516 PolarHBondContact O-NE2 2.79Å
513Q94Very high92.7Very high108 Ų10858.6 Ų58.651%0.50532%0.32SS..Hα-helixtrans-63.3-42.3176.1-71171.15.600112.1E509 C510 C515 Q516 S517E509-Q513 WeakPolarHBondContact O-CG 3.3Å; E509-Q513 PolarHBondContact O-N 3.47Å; C510-Q513 PolarHBondContact O-N 2.86Å; Q513-C515 VanDerWaalsContact C-N 3.28Å; Q513-C515 PolarHBondContact O-N 2.85Å; Q513-Q516 PolarHBondContact O-N 2.98Å; Q513-Q516 VanDerWaalsContact O-N 3.07Å; Q513-S517 PolarHBondContact O-N 2.65Å; Q513-S517 VanDerWaalsContact O-N 3.14Å
514I93.1Very high92.5Very high23 Ų2358.9 Ų58.912%0.11833%0.325CS..Hα-helixtrans-60.2-37.4173.1-70.4162.8000111.4V488 L498 F506 C510 Q516 S517 P520 E521 P523V488-I514 HydrophobicContact CG2-CD1 4.19Å; L498-I514 HydrophobicContact CD1-CD1 4.22Å; L498-I514 HydrophobicContact CD1-CG2 3.96Å; F506-I514 HydrophobicContact CD1-CD1 4.05Å; F506-I514 HydrophobicContact CE1-CD1 4.03Å; C510-I514 WeakPolarHBondContact O-CD1 3.36Å; C510-I514 VanDerWaalsContact O-CG1 3.29Å; C510-I514 WeakPolarHBondContact O-CG1 3.17Å; C510-I514 PolarHBondContact O-N 3.38Å; I514-Q516 PolarHBondContact O-N 3.35Å; I514-S517 PolarHBondContact O-OG 3.04Å; I514-S517 VanDerWaalsContact O-OG 3.06Å; I514-P520 VanDerWaalsContact O-CA 3.29Å; I514-P520 WeakPolarHBondContact O-CA 3.3Å; I514-P520 WeakPolarHBondContact O-CB 3.35Å; I514-E521 VanDerWaalsContact CG2-O 3.24Å; I514-E521 WeakPolarHBondContact CG2-O 3.32Å; I514-P523 HydrophobicContact CD1-CG 4.09Å
515C91.6Very high92.6Very high35 Ų3557.4 Ų57.424%0.23632%0.32CS..THydrogen-bonded Turntrans-76.9-6.9177.4-60.20000113.9A511 G512 Q513 Q531 C532A511-C515 PolarHBondContact O-N 3.49Å; A511-C515 VanDerWaalsContact O-N 3.15Å; A511-C515 PolarHBondContact O-SG 3.43Å; G512-C515 PolarHBondContact O-N 3.37Å; Q513-C515 VanDerWaalsContact C-N 3.28Å; Q513-C515 PolarHBondContact O-N 2.85Å; C515-Q531 VanDerWaalsContact SG-C 3.51Å; C515-C532 PolarHBondContact SG-N 2.83Å; C515-C532 VanDerWaalsContact SG-N 3.36Å
516Q91.6Very high92.6Very high161 Ų16161.4 Ų61.475%0.75234%0.337SS*.THydrogen-bonded Turntrans-114.2-2.2-177.1-73.4168.873.200113.1G512 Q513 I514G512-Q516 VanDerWaalsContact C-NE2 3.34Å; G512-Q516 WeakPolarHBondContact O-CG 3.43Å; G512-Q516 PolarHBondContact O-N 3.02Å; G512-Q516 PolarHBondContact O-NE2 2.79Å; Q513-Q516 PolarHBondContact O-N 2.98Å; Q513-Q516 VanDerWaalsContact O-N 3.07Å; I514-Q516 PolarHBondContact O-N 3.35Å
517S90.4Very high92.5Very high57 Ų5763.7 Ų63.740%0.39935%0.351SS..SBendtrans-69.1160.2172.559.20000111.4Q513 I514 E519 P520Q513-S517 PolarHBondContact O-N 2.65Å; Q513-S517 VanDerWaalsContact O-N 3.14Å; I514-S517 PolarHBondContact O-OG 3.04Å; I514-S517 VanDerWaalsContact O-OG 3.06Å; S517-E519 PolarHBondContact O-N 3.09Å; S517-E519 VanDerWaalsContact OG-C 3.3Å; S517-E519 PolarHBondContact OG-O 3.39Å; S517-P520 WeakPolarHBondContact OG-CA 3.13Å
518A87.8Confident92.4Very high110 Ų11067.5 Ų67.591%0.90938%0.376SS*.SBendtrans-61.4-29.8176.600000112.8
519E89.8Confident92.3Very high164 Ų16465.2 Ų65.277%0.76637%0.365SS*.SBendtrans-126.894.4173.8-65.6179151.500107.4S517 E521S517-E519 PolarHBondContact O-N 3.09Å; S517-E519 VanDerWaalsContact OG-C 3.3Å; S517-E519 PolarHBondContact OG-O 3.39Å; E519-E521 PolarHBondContact O-N 3.32Å; E519-E521 VanDerWaalsContact O-N 3.16Å
520P90.4Very high92.1Very high42 Ų4264.1 Ų64.127%0.27337%0.367SS..  trans-8389.7-174.631.6-34.7000110.7I514 S517 P528 T529I514-P520 VanDerWaalsContact O-CA 3.29Å; I514-P520 WeakPolarHBondContact O-CA 3.3Å; I514-P520 WeakPolarHBondContact O-CB 3.35Å; S517-P520 WeakPolarHBondContact OG-CA 3.13Å; P520-P528 CarbonylContact O-C 3.55Å; P520-P528 WeakPolarHBondContact O-CA 3.23Å; P520-T529 PolarHBondContact O-N 2.71Å
521E94.2Very high91.9Very high90 Ų9068.7 Ų68.742%0.42139%0.388SS..BIsolated β-bridgetrans-111145.6176.4-69.7-163170.400113.2I514 E519 P523 H526I514-E521 VanDerWaalsContact CG2-O 3.24Å; I514-E521 WeakPolarHBondContact CG2-O 3.32Å; E519-E521 PolarHBondContact O-N 3.32Å; E519-E521 VanDerWaalsContact O-N 3.16Å; E521-P523 WeakPolarHBondContact O-CD 3.41Å; E521-H526 IonicContact OE2-CG 3.76Å; E521-H526 IonicContact OE2-ND1 3.12Å; E521-H526 PolarHBondContact OE2-ND1 2.75Å; E521-H526 VanDerWaalsContact OE2-ND1 3.12Å
522C93.5Very high91.9Very high0 Ų070.5 Ų70.50%040%0.4CS..  trans-72118.5169.3175.40000110.6L498 C501 V524 C525 H526 T527 T529L498-C522 HydrophobicContact CD1-CB 3.86Å; C501-C522 VanDerWaalsContact SG-SG 3.64Å; C522-V524 PolarHBondContact O-N 3.01Å; C522-C525 PolarHBondContact O-N 2.85Å; C522-C525 VanDerWaalsContact O-N 3.14Å; C522-H526 PolarHBondContact O-N 3.43Å; C522-T527 PolarHBondContact N-O 2.72Å; C522-T529 PolarHBondContact N-OG1 3.33Å
523P90.4Very high91.9Very high56 Ų5673.6 Ų73.636%0.36441%0.413SS..THydrogen-bonded Turntrans-71.23.5-17530.6-37.8000114.7F506 I514 E521F506-P523 HydrophobicContact CE1-CG 3.63Å; F506-P523 HydrophobicContact CZ-CG 3.76Å; I514-P523 HydrophobicContact CD1-CG 4.09Å; E521-P523 WeakPolarHBondContact O-CD 3.41Å
524V90.9Very high91.9Very high59 Ų5975.3 Ų75.336%0.35842%0.415SS..THydrogen-bonded Turntrans-104-22.6176.9-177.80000111.8F487 H503 L505 F506 C522F487-V524 HydrophobicContact CD1-CG2 4.19Å; F487-V524 HydrophobicContact CE1-CG2 4.26Å; H503-V524 VanDerWaalsContact CD2-CG1 3.44Å; H503-V524 WeakPolarHBondContact CD2-CG1 3.32Å; L505-V524 HydrophobicContact CD1-CG1 4.32Å; L505-V524 HydrophobicContact CD1-CG2 3.97Å; F506-V524 HydrophobicContact CZ-CG2 3.99Å; C522-V524 PolarHBondContact O-N 3.01Å
525C92.4Very high91.8Very high41 Ų4176.3 Ų76.328%0.27742%0.42SS..THydrogen-bonded Turntrans-147.98.8-171.569.90000115.4C501 H503 C522 T527C501-C525 VanDerWaalsContact CB-SG 3.54Å; H503-C525 PolarHBondContact CE1-SG 3.33Å; H503-C525 PolarHBondContact ND1-SG 2.87Å; H503-C525 VanDerWaalsContact ND1-SG 3.38Å; C522-C525 PolarHBondContact O-N 2.85Å; C522-C525 VanDerWaalsContact O-N 3.14Å; C525-T527 PolarHBondContact O-N 3.19Å; C525-T527 PolarHBondContact O-OG1 3.08Å; C525-T527 PolarHBondContact SG-OG1 3.17Å
526H92.3Very high91.3Very high132 Ų13283.1 Ų83.161%0.61145%0.446SS*.  trans4833177.2-62-73.8000114.1E521 C522E521-H526 IonicContact OE2-CG 3.76Å; E521-H526 IonicContact OE2-ND1 3.12Å; E521-H526 PolarHBondContact OE2-ND1 2.75Å; E521-H526 VanDerWaalsContact OE2-ND1 3.12Å; C522-H526 PolarHBondContact O-N 3.43Å
527T92.5Very high89.8Confident47 Ų4784.1 Ų84.129%0.28847%0.471SS..  trans-94.3128.3177.3-53.90000108.1P500 C501 C522 C525 T529P500-T527 HydrophobicContact CG-CG2 4.2Å; C501-T527 HydrophobicContact CB-CG2 4.09Å; C522-T527 PolarHBondContact N-O 2.72Å; C525-T527 PolarHBondContact O-N 3.19Å; C525-T527 PolarHBondContact O-OG1 3.08Å; C525-T527 PolarHBondContact SG-OG1 3.17Å; T527-T529 PolarHBondContact O-N 3.11Å; T527-T529 PolarHBondContact O-OG1 2.82Å
528P92.6Very high89.8Confident87 Ų8785.5 Ų85.557%0.56548%0.475SS*.BIsolated β-bridgetrans-58.8127.8175.224-33.5000109.4P500 P520P500-P528 VanDerWaalsContact CD-O 3.3Å; P500-P528 WeakPolarHBondContact CD-O 3.13Å; P520-P528 CarbonylContact O-C 3.55Å; P520-P528 WeakPolarHBondContact O-CA 3.23Å
529T92.1Very high89.9Confident5 Ų584.2 Ų84.23%0.03145%0.452CS..  trans-106.6127.6-171.9-66.50000108.8L498 V499 P520 C522 T527L498-T529 HydrophobicContact CB-CG2 3.77Å; L498-T529 HydrophobicContact CD1-CG2 4.3Å; L498-T529 HydrophobicContact CD2-CG2 4.07Å; L498-T529 HydrophobicContact CG-CG2 4.23Å; V499-T529 CarbonylContact O-C 3.42Å; V499-T529 WeakPolarHBondContact O-CA 3.43Å; P520-T529 PolarHBondContact O-N 2.71Å; C522-T529 PolarHBondContact N-OG1 3.33Å; T527-T529 PolarHBondContact O-N 3.11Å; T527-T529 PolarHBondContact O-OG1 2.82Å
530T91.4Very high89.9Confident110 Ų11079.8 Ų79.868%0.67543%0.434SS*.  trans-101.3-23.1-176.355.70000113.3V499V499-T530 PolarHBondContact O-N 3.4Å; V499-T530 PolarHBondContact O-OG1 3.25Å
531Q91.4Very high89.9Confident106 Ų10682 Ų8250%0.49544%0.444SS..EExtended strand (participates in β ladder)trans-162.6153.3179.160.8-175.336.800111.2V499 C515V499-Q531 HydrophobicContact CB-CG 3.6Å; V499-Q531 WeakPolarHBondContact CB-O 3.46Å; V499-Q531 HydrophobicContact CG1-CG 3.97Å; V499-Q531 HydrophobicContact CG2-CG 3.93Å; V499-Q531 PolarHBondContact N-O 2.93Å; C515-Q531 VanDerWaalsContact SG-C 3.51Å
532C94Very high89.6Confident37 Ų3781.5 Ų81.525%0.2545%0.445CS..EExtended strand (participates in β ladder)trans-100.4139.5165.557.60000110.2A497 L498 A511 C515A497-C532 WeakPolarHBondContact O-CA 3.48Å; L498-C532 HydrophobicContact CD2-CB 4.05Å; A511-C532 HydrophobicContact CB-CB 3.65Å; C515-C532 PolarHBondContact SG-N 2.83Å; C515-C532 VanDerWaalsContact SG-N 3.36Å
533I94.5Very high89.4Confident76 Ų7686.9 Ų86.939%0.3948%0.475SS..EExtended strand (participates in β ladder)trans-115.9142.2174.959.3172.6000110.5A496 A497 V499A496-I533 VanDerWaalsContact CA-O 3.27Å; A496-I533 WeakPolarHBondContact CA-O 3.44Å; A497-I533 HydrophobicContact CB-CG1 4.15Å; A497-I533 PolarHBondContact N-O 2.79Å; A497-I533 WeakPolarHBondContact O-CG1 3.35Å; A497-I533 PolarHBondContact O-N 2.85Å; V499-I533 HydrophobicContact CG2-CD1 4.09Å; V499-I533 HydrophobicContact CG2-CG1 4.05Å; V499-I533 HydrophobicContact CG2-CG2 3.89Å
534R93.3Very high89.3Confident144 Ų14489.1 Ų89.154%0.54348%0.483SS..EExtended strand (participates in β ladder)trans-74.5129.6172.9-160.4168.9-166.9128.54.9109.5T495 M508 F536T495-R534 WeakPolarHBondContact O-CA 3.43Å; T495-R534 WeakPolarHBondContact O-CG 3.49Å; M508-R534 VanDerWaalsContact CE-CA 3.45Å; M508-R534 HydrophobicContact CE-CB 3.44Å; M508-R534 VanDerWaalsContact CE-CB 3.44Å; M508-R534 HydrophobicContact CE-CG 3.63Å; R534-F536 HydrophobicContact CG-CE2 4.45Å; R534-F536 HydrophobicContact CG-CZ 4.29Å
535I90.8Very high89.2Confident43 Ų4391.5 Ų91.522%0.22149%0.493CS..  trans-103134.6169.756.2176.4000108.8V494 T495 A497 N504V494-I535 HydrophobicContact CG1-CD1 4.21Å; T495-I535 PolarHBondContact O-N 2.89Å; A497-I535 HydrophobicContact CB-CG2 4.04Å; N504-I535 HydrophobicContact CB-CD1 3.78Å
536F81.3Confident88.9Confident178 Ų17895.7 Ų95.778%0.78151%0.511SS*.  trans-104.9131.5168.1-58-87000106.2R534R534-F536 HydrophobicContact CG-CE2 4.45Å; R534-F536 HydrophobicContact CG-CZ 4.29Å
537S60.8Low88.6Confident183 Ų18392.4 Ų92.4100%1.2850%0.502SS*.  trans-102.60178.1-58.20000110.8

Retrieved 537 of 537 residues in 90.5 ms (Link to these results)