A0A096NWP2_PAPAN Loading...

Leucine rich repeat containing 26

AlphaFold DB , UniProt , Accession A0A096NWP2, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC26, Length 335 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
1M41.4Very low39.1Very low240 Ų240165.7 Ų165.7100%1.18282%0.823SS**  077.90-67.2169.9171.500106.6
2R34.8Very low38.7Very low246 Ų246164.9 Ų164.993%0.92882%0.823SS**  65.393100.5-75.6-170.4-178.4-179.21.2113.5
3S37.3Very low38.4Very low113 Ų113164.7 Ų164.779%0.7983%0.825SS**  trans-61.8151.6140.137.20000109.4
4P46.5Very low38.3Very low110 Ų110165.4 Ų165.471%0.71483%0.831SS**  -151.9144.996.438.4-18.4000113.2
5S32.6Very low38.6Very low87 Ų87165.3 Ų165.361%0.60883%0.833SS**  80.5139.382.397.60000116
6W31.7Very low38.8Very low237 Ų237164.3 Ų164.390%0.89883%0.83SS**  trans82.8146.6154.4-65.816.3000116.7
7S31.9Very low38.8Very low97 Ų97164.8 Ų164.868%0.67883%0.834SS**  cis-174.9153.7-12.843.80000105.4
8R42.9Very low38.9Very low229 Ų229164.3 Ų164.386%0.86483%0.833SS**  trans-50.5157.6177-64.9174.8174.5174.3-1.8113
9P38.4Very low38.6Very low125 Ų125164.2 Ų164.281%0.81283%0.834SS**  -138.2141.2108.132.9-18000114.1
10R43.2Very low38.7Very low229 Ų229161.4 Ų161.486%0.86483%0.83SS**  trans-94.7174147.7-76.3179166.5174.6-4.9106.3
11P48.7Very low38.9Very low110 Ų110159.2 Ų159.271%0.71483%0.826SS**  cis-129.2-163-22.126.3-1.7000110.8
12L34.8Very low38.9Very low156 Ų156159.2 Ų159.282%0.81781%0.813SS**  trans83.390.3165-70.2147.7000118.1
13L35.1Very low39.4Very low162 Ų162152.8 Ų152.885%0.84880%0.803SS**  174.199.6116.8-121.288.1000108.9
14L37.3Very low39.7Very low174 Ų174152.3 Ų152.391%0.91180%0.795SS**  trans-159.456.2145.3-125.5114.4000109.2
15L41.9Very low39.4Very low165 Ų165158.4 Ų158.486%0.86480%0.804SS**  trans-83.9106.7156.3-169.692.4000105.2
16L41.6Very low39.7Very low149 Ų149158.9 Ų158.978%0.7881%0.814SS**  trans168.458.4156.1-91.9160000112.1
17L38.9Very low40.2Very low172 Ų172156.6 Ų156.690%0.90181%0.813SS**  trans-135.337.8160.6-81.7174.8000111.7
18L40.4Very low40.5Very low157 Ų157158.5 Ų158.582%0.82282%0.82SS**  trans-113.1114.8156.9-77.4166.2000106.3
19L34.4Very low40.4Very low161 Ų161152 Ų15284%0.84381%0.81SS**  trans142.779164.8-78.2155.6000108.5
20S39.3Very low40.7Very low108 Ų108152.2 Ų152.276%0.75581%0.808SS**  126.9168.299.564.80000108.8
21P44.2Very low40.6Very low116 Ų116147 Ų14775%0.75380%0.803SS**  cis-126.7163.3-36.631-13.1000112.2
22W41Very low40.3Very low241 Ų241145.7 Ų145.791%0.91380%0.8SS**  trans-54.6150.8157.7-106.6-47.6000110.4
23P45.4Very low40.4Very low111 Ų111143.1 Ų143.172%0.72180%0.796SS**  -147140.480.745.9-28.4000112.4
24V42.3Very low41Very low102 Ų102141.1 Ų141.162%0.61879%0.793SS**  88.3105.395.3162.40000113.3
25W40.6Very low41.4Very low238 Ų238138.7 Ų138.790%0.90279%0.79SS**  trans83.6103143.6-5630.7000118.3
26A38.9Very low41.4Very low98 Ų98133.5 Ų133.581%0.8178%0.776SS**  -176.671.9125.700000109.1V28A26-V28 PolarHBondContact O-N 3.07Å
27Q42.2Very low41.4Very low189 Ų189131.2 Ų131.288%0.88377%0.772SS**  trans-74.6120156.2-77.5-163.1-26.900107S29Q27-S29 PolarHBondContact O-N 2.76Å
28V39.8Very low41.7Very low136 Ų136128.8 Ų128.882%0.82477%0.767SS**  trans-63.795160.6174.60000106.1A26 V30A26-V28 PolarHBondContact O-N 3.07Å; V28-V30 PolarHBondContact O-N 3.08Å; V28-V30 VanDerWaalsContact O-N 3.09Å
29S39.5Very low42Very low94 Ų94124.2 Ų124.266%0.65776%0.758SS**  trans-67.899.7165.1420000107.5Q27 T31Q27-S29 PolarHBondContact O-N 2.76Å; S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.22Å
30V45Very low43Very low128 Ų128119.6 Ų119.678%0.77674%0.743SS**  trans-63.599.5153.7176.60000105.3V28 A32V28-V30 PolarHBondContact O-N 3.08Å; V28-V30 VanDerWaalsContact O-N 3.09Å; V30-A32 PolarHBondContact O-N 3.17Å
31T40.7Very low44.2Very low121 Ų121120.7 Ų120.774%0.74275%0.748SS**  trans-67.582.1166.847.30000108.3S29S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.22Å
32A42.2Very low45.6Very low81 Ų81117.6 Ų117.667%0.66973%0.725SS**  trans-81.9101.7150.300000106V30 P34V30-A32 PolarHBondContact O-N 3.17Å; A32-P34 VanDerWaalsContact O-CD 3.23Å; A32-P34 WeakPolarHBondContact O-CD 3.47Å
33S38.6Very low47.6Very low102 Ų102107.6 Ų107.671%0.71369%0.691SS**  trans-57120.2168.6-54.10000109.3S35S33-S35 VanDerWaalsContact C-N 3.3Å; S33-S35 PolarHBondContact O-N 2.76Å
34P46.5Very low49.4Very low121 Ų121102.6 Ų102.679%0.78666%0.658SS**  trans-83.388.8152.131.2-19.6000105.5A32 G36A32-P34 VanDerWaalsContact O-CD 3.23Å; A32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-G36 PolarHBondContact O-N 3.17Å
35S45.8Very low51.3Low123 Ų123107.3 Ų107.386%0.8667%0.674SS**  trans-74.767.5154.657.90000107.4S33S33-S35 VanDerWaalsContact C-N 3.3Å; S33-S35 PolarHBondContact O-N 2.76Å
36G41.6Very low53.5Low55 Ų55100 Ų10057%0.56766%0.656SS**  trans-134.3107.9174.100000106.5P34P34-G36 PolarHBondContact O-N 3.17Å
37S41.4Very low56Low101 Ų10196 Ų9671%0.70662%0.621SS**  trans-38.6142.9157.3166.40000109.2G39S37-G39 PolarHBondContact O-N 3.1Å
38P45.3Very low58.4Low122 Ų12291.5 Ų91.579%0.79261%0.607SS**  trans-52111.2166.923.4-31.3000107A40P38-A40 PolarHBondContact O-N 2.97Å
39G48.2Very low60.9Low61 Ų6187.5 Ų87.563%0.62958%0.584SS**  trans-58.8134-175.700000108.2S37S37-G39 PolarHBondContact O-N 3.1Å
40A55.3Low63.2Low63 Ų6386.9 Ų86.952%0.52158%0.576SS.*  trans-49.7132.1167.200000108.1P38 D42 C43P38-A40 PolarHBondContact O-N 2.97Å; A40-D42 PolarHBondContact O-N 2.91Å; A40-C43 PolarHBondContact O-N 3.46Å; A40-C43 VanDerWaalsContact O-N 3.13Å
41P63.8Low65.1Low132 Ų13286.9 Ų86.986%0.85758%0.579SS**THydrogen-bonded Turntrans-62.31.3-171.924.2-35000114.9
42D74.4Confident67.2Low51 Ų5184.3 Ų84.327%0.27358%0.577SS.*THydrogen-bonded Turntrans-112.88.3-174.3-63.7-49.4000113A40 S70 R72A40-D42 PolarHBondContact O-N 2.91Å; D42-S70 PolarHBondContact O-OG 3.17Å; D42-R72 WeakPolarHBondContact OD2-CD 3.47Å; D42-R72 IonicContact OD2-CZ 3.25Å; D42-R72 IonicContact OD2-NE 3.47Å; D42-R72 IonicContact OD2-NH1 2.76Å; D42-R72 PolarHBondContact OD2-NH1 2.78Å
43C81.8Confident69.5Low31 Ų3181.2 Ų81.221%0.20955%0.553CS.*SBendtrans-109.8132.9-178-168.70000112.1A40 C47 C49A40-C43 PolarHBondContact O-N 3.46Å; A40-C43 VanDerWaalsContact O-N 3.13Å; C43-C47 PolarHBondContact SG-O 3.4Å; C43-C49 VanDerWaalsContact CA-SG 3.51Å; C43-C49 HydrophobicContact CB-CB 3.65Å; C43-C49 WeakPolarHBondContact CB-SG 3.37Å; C43-C49 WeakPolarHBondContact SG-CB 3.28Å; C43-C49 CovalentContact SG-SG 2.02Å; C43-C49 PolarHBondContact SG-SG 2.95Å
44P83.9Confident72.2Confident5 Ų579.5 Ų79.53%0.03254%0.535CS..  trans-62.2137.3171.8-1830.3000111.3V46 C47 P66 L69P44-V46 PolarHBondContact O-N 3.25Å; P44-C47 HydrophobicContact CB-CB 4.2Å; P44-C47 HydrophobicContact CG-CB 4.39Å; P44-C47 PolarHBondContact O-N 3.06Å; P44-P66 HydrophobicContact CB-CB 3.95Å; P44-P66 HydrophobicContact CB-CG 4.22Å; P44-P66 HydrophobicContact CG-CG 4.41Å; P44-L69 HydrophobicContact CG-CD2 3.96Å
45E81.2Confident74.5Confident202 Ų20273.7 Ų73.794%0.94450%0.498SS*.THydrogen-bonded Turntrans-56.6-30.6-171.8-65.1-169.2161.600114.5C47E45-C47 VanDerWaalsContact C-N 3.35Å
46V87.4Confident76.9Confident85 Ų8569.5 Ų69.552%0.51547%0.468SS..THydrogen-bonded Turntrans-86.3-11.1-177.3-161.10000112P44 L60 L62P44-V46 PolarHBondContact O-N 3.25Å; V46-L60 HydrophobicContact CG1-CD1 4.07Å; V46-L60 WeakPolarHBondContact O-CD1 3.38Å; V46-L62 HydrophobicContact CB-CD2 4.37Å; V46-L62 HydrophobicContact CG1-CD2 3.71Å
47C91.9Very high79.5Confident13 Ų1366.9 Ų66.99%0.08844%0.441CS..SBendtrans-105.7156.1-172.6-57.10000112C43 P44 E45 C57C43-C47 PolarHBondContact SG-O 3.4Å; P44-C47 HydrophobicContact CB-CB 4.2Å; P44-C47 HydrophobicContact CG-CB 4.39Å; P44-C47 PolarHBondContact O-N 3.06Å; E45-C47 VanDerWaalsContact C-N 3.35Å; C47-C57 HydrophobicContact CB-CB 4.1Å; C47-C57 WeakPolarHBondContact CB-SG 3.43Å; C47-C57 WeakPolarHBondContact SG-CB 3.19Å; C47-C57 CovalentContact SG-SG 2.02Å; C47-C57 PolarHBondContact SG-SG 3.04Å
48T92.6Very high82.2Confident95 Ų9563.5 Ų63.558%0.58342%0.418SS*.EExtended strand (participates in β ladder)trans-97.2122.9170.557.20000109S56T48-S56 PolarHBondContact N-O 3.2Å; T48-S56 PolarHBondContact O-N 3.44Å; T48-S56 PolarHBondContact OG1-O 3.13Å
49C91.4Very high84.6Confident51 Ų5161 Ų6135%0.34541%0.407SS..EExtended strand (participates in β ladder)trans-112.4139.9179.5-59.30000112.1C43 L54C43-C49 VanDerWaalsContact CA-SG 3.51Å; C43-C49 HydrophobicContact CB-CB 3.65Å; C43-C49 WeakPolarHBondContact CB-SG 3.37Å; C43-C49 WeakPolarHBondContact SG-CB 3.28Å; C43-C49 CovalentContact SG-SG 2.02Å; C43-C49 PolarHBondContact SG-SG 2.95Å; C49-L54 VanDerWaalsContact CA-O 3.29Å; C49-L54 WeakPolarHBondContact CA-O 3.46Å
50V88.4Confident86.9Confident82 Ų8262 Ų6250%0.49740%0.398SS..EExtended strand (participates in β ladder)trans-114.6147.3-179.6-172.20000109.2G52 G53 L54V50-G52 PolarHBondContact O-N 3.1Å; V50-G53 PolarHBondContact O-N 3.18Å; V50-L54 PolarHBondContact N-O 3.05Å
51P85.1Confident88.9Confident127 Ų12761.9 Ų61.983%0.82539%0.393SS*.THydrogen-bonded Turntrans-48.4136.4167.9-27.935.3000111.5
52G84.5Confident90.4Very high68 Ų6856.4 Ų56.470%0.70136%0.356SS*.THydrogen-bonded Turntrans101.6-0.6-171.300000114.6V50 R74V50-G52 PolarHBondContact O-N 3.1Å; G52-R74 WeakPolarHBondContact O-CG 3.47Å
53G90.7Very high91.4Very high16 Ų1659.1 Ų59.117%0.16538%0.377CS..THydrogen-bonded Turntrans82.223.6170.500000114V50 L73 R74 A75V50-G53 PolarHBondContact O-N 3.18Å; G53-L73 CarbonylContact O-C 3.59Å; G53-L73 WeakPolarHBondContact O-CA 3.32Å; G53-R74 PolarHBondContact O-N 3.44Å; G53-A75 PolarHBondContact O-N 3.24Å
54L94.8Very high92.1Very high65 Ų6560.2 Ų60.234%0.3439%0.388SS..EExtended strand (participates in β ladder)trans-87.2121.4170175.666.2000109.1C49 V50 A75 L77C49-L54 VanDerWaalsContact CA-O 3.29Å; C49-L54 WeakPolarHBondContact CA-O 3.46Å; V50-L54 PolarHBondContact N-O 3.05Å; L54-A75 WeakPolarHBondContact CA-O 2.99Å; L54-A75 HydrophobicContact CD1-CB 3.46Å; L54-A75 VanDerWaalsContact CD1-CB 3.46Å; L54-L77 HydrophobicContact CD1-CD1 4.01Å; L54-L77 HydrophobicContact CD1-CG 3.95Å
55A95.3Very high92.7Very high0 Ų061.1 Ų61.10%039%0.394CS..EExtended strand (participates in β ladder)trans-110118.3168.500000109.5L73 A75 L76 L77A55-L73 HydrophobicContact CB-CD2 3.68Å; A55-A75 PolarHBondContact N-O 3.26Å; A55-L76 HydrophobicContact CB-CD1 3.95Å; A55-L76 WeakPolarHBondContact O-CA 3.23Å; A55-L77 PolarHBondContact O-N 3.39Å
56S96.2Very high93.3Very high35 Ų3552.4 Ų52.425%0.24535%0.354CS..EExtended strand (participates in β ladder)trans-104.8117.4177.4-178.10000110.5T48T48-S56 PolarHBondContact N-O 3.2Å; T48-S56 PolarHBondContact O-N 3.44Å; T48-S56 PolarHBondContact OG1-O 3.13Å
57C96Very high93.4Very high0 Ų052.7 Ų52.70%037%0.365CS..  trans-125.921.2-178.9-41.20000111.1C47 L60 L62 L77 L78 N81C47-C57 HydrophobicContact CB-CB 4.1Å; C47-C57 WeakPolarHBondContact CB-SG 3.43Å; C47-C57 WeakPolarHBondContact SG-CB 3.19Å; C47-C57 CovalentContact SG-SG 2.02Å; C47-C57 PolarHBondContact SG-SG 3.04Å; C57-L60 HydrophobicContact CB-CD1 4.36Å; C57-L62 HydrophobicContact CB-CD1 3.87Å; C57-L77 CarbonylContact C-O 3.59Å; C57-L77 WeakPolarHBondContact CA-O 3.26Å; C57-L77 VanDerWaalsContact CB-O 3.29Å; C57-L77 WeakPolarHBondContact CB-O 3.43Å; C57-L77 PolarHBondContact N-O 3.47Å; C57-L78 HydrophobicContact CB-CD2 3.66Å; C57-L78 HydrophobicContact CB-CG 4.49Å; C57-N81 PolarHBondContact O-ND2 3.35Å
58S97Very high93.1Very high30 Ų3054.9 Ų54.921%0.2139%0.391CS..THydrogen-bonded Turntrans-72.3143.9-170-46.40000112.8L60 D79S58-L60 WeakPolarHBondContact O-CG 3.41Å; S58-L60 PolarHBondContact O-N 3.38Å; S58-D79 VanDerWaalsContact CA-O 3.27Å; S58-D79 WeakPolarHBondContact CA-O 3.49Å; S58-D79 VanDerWaalsContact CB-OD1 3.31Å; S58-D79 WeakPolarHBondContact CB-OD1 3.47Å; S58-D79 PolarHBondContact OG-OD1 3.17Å
59A96.9Very high93.1Very high69 Ų6951.2 Ų51.257%0.5737%0.367SS*.THydrogen-bonded Turntrans5825.917500000115.7D79 H80A59-D79 PolarHBondContact N-O 2.91Å; A59-H80 WeakPolarHBondContact CA-O 3.14Å; A59-H80 HydrophobicContact CB-CB 4.16Å
60L96.3Very high93Very high82 Ų8249.6 Ų49.643%0.42936%0.356SS..SBendtrans-93.78-179.6-61.3-179.8000113.2V46 C57 S58 L62 N81V46-L60 HydrophobicContact CG1-CD1 4.07Å; V46-L60 WeakPolarHBondContact O-CD1 3.38Å; C57-L60 HydrophobicContact CB-CD1 4.36Å; S58-L60 WeakPolarHBondContact O-CG 3.41Å; S58-L60 PolarHBondContact O-N 3.38Å; L60-L62 HydrophobicContact CB-CD1 4.45Å; L60-L62 HydrophobicContact CB-CD2 4.14Å; L60-L62 HydrophobicContact CB-CG 3.92Å; L60-L62 PolarHBondContact O-N 2.81Å; L60-N81 PolarHBondContact N-OD1 3.19Å
61S96.4Very high93.2Very high60 Ų6051.7 Ų51.742%0.4236%0.364SS..  trans55.232.2-176.1-64.10000113.8N81S61-N81 PolarHBondContact N-OD1 3.48Å
62L96.3Very high93.4Very high17 Ų1754.1 Ų54.19%0.08936%0.357CS..  trans-63.5131-177-61.9176.4000111.2V46 C57 L60 L78 N81 R82 V83V46-L62 HydrophobicContact CB-CD2 4.37Å; V46-L62 HydrophobicContact CG1-CD2 3.71Å; C57-L62 HydrophobicContact CB-CD1 3.87Å; L60-L62 HydrophobicContact CB-CD1 4.45Å; L60-L62 HydrophobicContact CB-CD2 4.14Å; L60-L62 HydrophobicContact CB-CG 3.92Å; L60-L62 PolarHBondContact O-N 2.81Å; L62-L78 HydrophobicContact CD1-CD2 3.87Å; L62-N81 HydrophobicContact CB-CB 4.19Å; L62-N81 PolarHBondContact N-OD1 3.42Å; L62-R82 CarbonylContact O-C 3.59Å; L62-R82 VanDerWaalsContact O-CA 3.31Å; L62-R82 WeakPolarHBondContact O-CA 3.39Å; L62-R82 PolarHBondContact O-N 3.29Å; L62-V83 PolarHBondContact O-N 3.14Å
63P96Very high93.9Very high108 Ų10851.1 Ų51.170%0.70133%0.325SS*.SBendtrans-80.1-18.8177.531.9-35000113
64A96.3Very high94.1Very high54 Ų5455.8 Ų55.845%0.44634%0.337SS..SBendtrans-152.7167.4-175.900000111.1
65V96.1Very high94.3Very high25 Ų2553.4 Ų53.415%0.15233%0.327CS..PPolyproline II helixtrans-62.6130.7171.7-178.10000109.2L69 L78 V83 L86 A90 F91V65-L69 HydrophobicContact CG1-CD1 4.08Å; V65-L78 HydrophobicContact CG1-CD1 4.16Å; V65-L78 HydrophobicContact CG2-CD1 4.32Å; V65-V83 HydrophobicContact CG2-CG1 4.31Å; V65-L86 HydrophobicContact CG2-CD2 3.81Å; V65-A90 WeakPolarHBondContact CG1-O 3.37Å; V65-A90 HydrophobicContact CG2-CB 4.36Å; V65-F91 HydrophobicContact CB-CE1 4.41Å; V65-F91 HydrophobicContact CG1-CD1 3.87Å; V65-F91 HydrophobicContact CG1-CE1 3.66Å; V65-F91 HydrophobicContact CG1-CZ 4.5Å; V65-F91 HydrophobicContact CG2-CE1 3.79Å; V65-F91 HydrophobicContact CG2-CZ 3.84Å
66P92.9Very high94.3Very high18 Ų1853.4 Ų53.412%0.11733%0.327CS..PPolyproline II helixtrans-68146.4-178.327.8-34.6000111.7P44 L78P44-P66 HydrophobicContact CB-CB 3.95Å; P44-P66 HydrophobicContact CB-CG 4.22Å; P44-P66 HydrophobicContact CG-CG 4.41Å; P66-L78 HydrophobicContact CG-CD2 4.24Å
67A89.9Confident94.4Very high91 Ų9153.3 Ų53.375%0.75232%0.324SS*.SBendtrans-75.7169.5175.700000111.9
68G86.5Confident94.5Very high60 Ų6053.3 Ų53.362%0.61932%0.324SS*.  trans78.126.8175.300000114.4
69L91.6Very high94.6Very high18 Ų1852.6 Ų52.69%0.09432%0.318CS..  trans-67.5139175.1-55.8175.9000111.1P44 V65 L73 L76 F91 A94P44-L69 HydrophobicContact CG-CD2 3.96Å; V65-L69 HydrophobicContact CG1-CD1 4.08Å; L69-L73 HydrophobicContact CB-CD1 4.22Å; L69-L73 HydrophobicContact CD2-CD1 3.9Å; L69-L76 HydrophobicContact CD1-CD2 4.39Å; L69-L76 HydrophobicContact CD2-CD2 4.07Å; L69-F91 HydrophobicContact CD1-CB 4.31Å; L69-F91 HydrophobicContact CD1-CD1 4.11Å; L69-A94 HydrophobicContact CB-CB 4.02Å; L69-A94 HydrophobicContact CD1-CB 4.17Å
70S90.8Very high94.6Very high16 Ų1653.1 Ų53.111%0.11231%0.308CS..  trans-115.3157.9-175.274.30000113D42 R72 L73 G93D42-S70 PolarHBondContact O-OG 3.17Å; S70-R72 PolarHBondContact O-N 3.42Å; S70-R72 VanDerWaalsContact O-N 3.17Å; S70-L73 WeakPolarHBondContact O-CB 3.33Å; S70-L73 PolarHBondContact O-N 3.27Å; S70-G93 CarbonylContact C-O 3.13Å
71L91Very high94.7Very high126 Ų12649.7 Ų49.766%0.6629%0.29SS*.THydrogen-bonded Turntrans-66.4-14175.9-70.9171.6000113.3L73 G93L71-L73 VanDerWaalsContact C-N 3.34Å; L71-G93 WeakPolarHBondContact CA-O 3.03Å; L71-G93 WeakPolarHBondContact CD2-O 3.31Å; L71-G93 WeakPolarHBondContact CG-O 2.96Å; L71-G93 PolarHBondContact N-O 2.98Å; L71-G93 VanDerWaalsContact N-O 3.07Å
72R90.8Very high94.8Very high178 Ų17854.4 Ų54.467%0.67230%0.299SS*.THydrogen-bonded Turntrans-82-16.1178.8-69.5176.4171.7-174.4-2.8112.5D42 S70 R74D42-R72 WeakPolarHBondContact OD2-CD 3.47Å; D42-R72 IonicContact OD2-CZ 3.25Å; D42-R72 IonicContact OD2-NE 3.47Å; D42-R72 IonicContact OD2-NH1 2.76Å; D42-R72 PolarHBondContact OD2-NH1 2.78Å; S70-R72 PolarHBondContact O-N 3.42Å; S70-R72 VanDerWaalsContact O-N 3.17Å; R72-R74 PolarHBondContact O-N 2.76Å
73L93.4Very high94.9Very high5 Ų553.6 Ų53.63%0.02629%0.294CS..  trans-65.4130.1175.1-65.7177000110.6G53 A55 L69 S70 L71 G96 L97G53-L73 CarbonylContact O-C 3.59Å; G53-L73 WeakPolarHBondContact O-CA 3.32Å; A55-L73 HydrophobicContact CB-CD2 3.68Å; L69-L73 HydrophobicContact CB-CD1 4.22Å; L69-L73 HydrophobicContact CD2-CD1 3.9Å; S70-L73 WeakPolarHBondContact O-CB 3.33Å; S70-L73 PolarHBondContact O-N 3.27Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L73-G96 CarbonylContact O-C 3.57Å; L73-L97 HydrophobicContact CB-CD1 4.13Å; L73-L97 WeakPolarHBondContact O-CA 3.23Å; L73-L97 PolarHBondContact O-N 2.94Å
74R96.3Very high94.9Very high114 Ų11456.6 Ų56.643%0.4329%0.292SS..SBendtrans-108.9-33.9175.2-63.1-56.6-169.1-179.11.7111.5G52 G53 R72 G96 Q98 R99G52-R74 WeakPolarHBondContact O-CG 3.47Å; G53-R74 PolarHBondContact O-N 3.44Å; R72-R74 PolarHBondContact O-N 2.76Å; R74-G96 WeakPolarHBondContact CD-O 3.26Å; R74-G96 PolarHBondContact NH1-O 3.06Å; R74-G96 VanDerWaalsContact NH1-O 3.1Å; R74-Q98 WeakPolarHBondContact O-CA 3.49Å; R74-Q98 WeakPolarHBondContact O-CB 3.14Å; R74-Q98 PolarHBondContact O-N 3.23Å; R74-R99 PolarHBondContact O-N 3.34Å
75A97.3Very high95Very high15 Ų1556 Ų5612%0.12429%0.287CS..EExtended strand (participates in β ladder)trans-137.9133.7178.800000110.5G53 L54 A55 R99G53-A75 PolarHBondContact O-N 3.24Å; L54-A75 WeakPolarHBondContact CA-O 2.99Å; L54-A75 HydrophobicContact CD1-CB 3.46Å; L54-A75 VanDerWaalsContact CD1-CB 3.46Å; A55-A75 PolarHBondContact N-O 3.26Å; A75-R99 VanDerWaalsContact CA-O 3.32Å; A75-R99 WeakPolarHBondContact CA-O 3.5Å; A75-R99 HydrophobicContact CB-CB 3.96Å
76L97.1Very high95.1Very high0 Ų055 Ų550%028%0.28CS..EExtended strand (participates in β ladder)trans-126.5114.4178.1178.460.3000108.3A55 L69 L78 F91 L97 R99 L100 D101A55-L76 HydrophobicContact CB-CD1 3.95Å; A55-L76 WeakPolarHBondContact O-CA 3.23Å; L69-L76 HydrophobicContact CD1-CD2 4.39Å; L69-L76 HydrophobicContact CD2-CD2 4.07Å; L76-L78 HydrophobicContact CD1-CD1 4.37Å; L76-L78 HydrophobicContact CD1-CG 4.18Å; L76-L78 HydrophobicContact CD2-CD1 3.68Å; L76-L78 HydrophobicContact CD2-CG 4.35Å; L76-L78 HydrophobicContact CG-CD1 3.84Å; L76-L78 HydrophobicContact CG-CG 3.97Å; L76-F91 HydrophobicContact CD2-CD1 4Å; L76-F91 HydrophobicContact CD2-CE1 4.09Å; L76-L97 HydrophobicContact CB-CD1 3.74Å; L76-L97 HydrophobicContact CB-CD2 4.16Å; L76-R99 PolarHBondContact N-O 3.11Å; L76-L100 HydrophobicContact CB-CD1 4.16Å; L76-L100 HydrophobicContact CD2-CD1 4.07Å; L76-L100 HydrophobicContact CG-CD1 4.18Å; L76-D101 PolarHBondContact O-N 3.21Å
77L98Very high95.2Very high33 Ų3357.6 Ų57.617%0.17330%0.297CS..EExtended strand (participates in β ladder)trans-100.9112177.1-49.9-179.4000108.7L54 A55 C57 D101L54-L77 HydrophobicContact CD1-CD1 4.01Å; L54-L77 HydrophobicContact CD1-CG 3.95Å; A55-L77 PolarHBondContact O-N 3.39Å; C57-L77 CarbonylContact C-O 3.59Å; C57-L77 WeakPolarHBondContact CA-O 3.26Å; C57-L77 VanDerWaalsContact CB-O 3.29Å; C57-L77 WeakPolarHBondContact CB-O 3.43Å; C57-L77 PolarHBondContact N-O 3.47Å; L77-D101 HydrophobicContact CD2-CB 3.8Å
78L97.6Very high95.6Very high0 Ų057 Ų570%029%0.286CS..  trans-120.718.9178.4-76.3165.7000111C57 L62 V65 P66 L76 N81 F91 L100 D101 L102 N105C57-L78 HydrophobicContact CB-CD2 3.66Å; C57-L78 HydrophobicContact CB-CG 4.49Å; L62-L78 HydrophobicContact CD1-CD2 3.87Å; V65-L78 HydrophobicContact CG1-CD1 4.16Å; V65-L78 HydrophobicContact CG2-CD1 4.32Å; P66-L78 HydrophobicContact CG-CD2 4.24Å; L76-L78 HydrophobicContact CD1-CD1 4.37Å; L76-L78 HydrophobicContact CD1-CG 4.18Å; L76-L78 HydrophobicContact CD2-CD1 3.68Å; L76-L78 HydrophobicContact CD2-CG 4.35Å; L76-L78 HydrophobicContact CG-CD1 3.84Å; L76-L78 HydrophobicContact CG-CG 3.97Å; L78-N81 VanDerWaalsContact C-ND2 3.32Å; L78-N81 PolarHBondContact O-ND2 3.35Å; L78-F91 HydrophobicContact CD1-CE1 3.99Å; L78-L100 HydrophobicContact CD1-CD1 4.44Å; L78-D101 CarbonylContact C-O 3.17Å; L78-D101 WeakPolarHBondContact CA-O 3.29Å; L78-D101 WeakPolarHBondContact CB-O 3.27Å; L78-D101 PolarHBondContact N-O 3.24Å; L78-L102 HydrophobicContact CB-CD2 3.79Å; L78-L102 HydrophobicContact CD1-CD2 3.94Å; L78-N105 PolarHBondContact O-ND2 2.95Å
79D98.4Very high95.9Very high16 Ų1655.4 Ų55.49%0.08627%0.27CS..THydrogen-bonded Turntrans-66155.6-177.859.2-71000113.7S58 A59 N81 D101 R103S58-D79 VanDerWaalsContact CA-O 3.27Å; S58-D79 WeakPolarHBondContact CA-O 3.49Å; S58-D79 VanDerWaalsContact CB-OD1 3.31Å; S58-D79 WeakPolarHBondContact CB-OD1 3.47Å; S58-D79 PolarHBondContact OG-OD1 3.17Å; A59-D79 PolarHBondContact N-O 2.91Å; D79-N81 VanDerWaalsContact C-N 3.26Å; D79-N81 PolarHBondContact O-N 3.37Å; D79-N81 PolarHBondContact O-ND2 3.36Å; D79-D101 PolarHBondContact N-O 3.39Å; D79-R103 VanDerWaalsContact CA-O 3.29Å; D79-R103 WeakPolarHBondContact CA-O 3.46Å; D79-R103 HydrophobicContact CB-CG 3.51Å
80H98.3Very high96.1Very high80 Ų8055.3 Ų55.337%0.3727%0.272SS..THydrogen-bonded Turntrans57.434.7178.9-53.686.2000113.8A59 R103 E104A59-H80 WeakPolarHBondContact CA-O 3.14Å; A59-H80 HydrophobicContact CB-CB 4.16Å; H80-R103 PolarHBondContact N-O 3Å; H80-E104 WeakPolarHBondContact CA-O 3.39Å; H80-E104 IonicContact CD2-OE2 2.96Å; H80-E104 PolarHBondContact CD2-OE2 2.97Å; H80-E104 IonicContact NE2-OE1 2.65Å; H80-E104 PolarHBondContact NE2-OE1 2.84Å; H80-E104 IonicContact NE2-OE2 3.19Å; H80-E104 PolarHBondContact NE2-OE2 2.89Å
81N98.4Very high96.4Very high9 Ų954.7 Ų54.75%0.04827%0.267CS..SBendtrans-107.4-163.8177.4-79.5-60.7000111.4C57 L60 S61 L62 L78 D79 V83 E104 N105C57-N81 PolarHBondContact O-ND2 3.35Å; L60-N81 PolarHBondContact N-OD1 3.19Å; S61-N81 PolarHBondContact N-OD1 3.48Å; L62-N81 HydrophobicContact CB-CB 4.19Å; L62-N81 PolarHBondContact N-OD1 3.42Å; L78-N81 VanDerWaalsContact C-ND2 3.32Å; L78-N81 PolarHBondContact O-ND2 3.35Å; D79-N81 VanDerWaalsContact C-N 3.26Å; D79-N81 PolarHBondContact O-N 3.37Å; D79-N81 PolarHBondContact O-ND2 3.36Å; N81-V83 HydrophobicContact CB-CG2 4.38Å; N81-E104 PolarHBondContact N-O 3.1Å; N81-N105 WeakPolarHBondContact CB-OD1 3.06Å; N81-N105 WeakPolarHBondContact O-CA 3.42Å
82R97.7Very high96.5Very high159 Ų15952 Ų5260%0.626%0.263SS*.  trans-125.433.1-178.5-61.4179-179161.71.9111.3L62 R84 N105L62-R82 CarbonylContact O-C 3.59Å; L62-R82 VanDerWaalsContact O-CA 3.31Å; L62-R82 WeakPolarHBondContact O-CA 3.39Å; L62-R82 PolarHBondContact O-N 3.29Å; R82-R84 PolarHBondContact O-N 2.93Å; R82-N105 CarbonylContact C-O 3.38Å
83V97.6Very high96.5Very high0 Ų045.5 Ų45.50%025%0.251CS..  trans-73.596.8177.6-175.60000108.3L62 V65 N81 L86 N105 L107L62-V83 PolarHBondContact O-N 3.14Å; V65-V83 HydrophobicContact CG2-CG1 4.31Å; N81-V83 HydrophobicContact CB-CG2 4.38Å; V83-L86 HydrophobicContact CG1-CD2 3.95Å; V83-N105 HydrophobicContact CB-CB 4.36Å; V83-N105 VanDerWaalsContact CB-OD1 3.3Å; V83-N105 WeakPolarHBondContact CB-OD1 3.16Å; V83-N105 WeakPolarHBondContact CG2-OD1 3.43Å; V83-N105 PolarHBondContact N-OD1 3.19Å; V83-L107 HydrophobicContact CG1-CD2 4.19Å; V83-L107 WeakPolarHBondContact O-CD2 3.41Å; V83-L107 WeakPolarHBondContact O-CG 3.38Å
84R96.9Very high96.5Very high171 Ų17145.2 Ų45.265%0.64525%0.25SC*.  trans-79.1-25.6-174.1-69.3-175.5-179.8177.2-0.3114.2R82 L107 H108R82-R84 PolarHBondContact O-N 2.93Å; R84-L107 WeakPolarHBondContact O-CA 3.42Å; R84-H108 PolarHBondContact O-CD2 3.37Å; R84-H108 PolarHBondContact O-N 3.06Å; R84-H108 PolarHBondContact O-NE2 2.64Å
85A97.6Very high96.5Very high42 Ų4241.1 Ų41.135%0.34724%0.243SC..EExtended strand (participates in β ladder)trans-146146.1-179.300000111.7S109A85-S109 WeakPolarHBondContact CA-O 3.29Å; A85-S109 VanDerWaalsContact CB-OG 3.31Å; A85-S109 WeakPolarHBondContact CB-OG 3.36Å
86L98.1Very high96.4Very high3 Ų340.9 Ų40.92%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-101.5111.3171.3-62.6178.1000110.5V65 V83 A90 F91 L102 L107 S109 V110 H111 A114 F115V65-L86 HydrophobicContact CG2-CD2 3.81Å; V83-L86 HydrophobicContact CG1-CD2 3.95Å; L86-A90 HydrophobicContact CB-CB 4.36Å; L86-A90 HydrophobicContact CD2-CB 4.36Å; L86-F91 HydrophobicContact CD1-CE2 4.16Å; L86-F91 HydrophobicContact CD1-CZ 4.47Å; L86-F91 HydrophobicContact CD2-CE2 4.18Å; L86-F91 HydrophobicContact CD2-CZ 3.94Å; L86-L102 HydrophobicContact CD1-CD1 3.99Å; L86-L107 HydrophobicContact CD1-CD1 4.41Å; L86-L107 HydrophobicContact CD2-CD2 4.21Å; L86-L107 HydrophobicContact CG-CD1 4.49Å; L86-L107 HydrophobicContact CG-CD2 3.79Å; L86-S109 PolarHBondContact N-O 3.28Å; L86-S109 VanDerWaalsContact N-O 3.1Å; L86-V110 HydrophobicContact CB-CG1 4.36Å; L86-V110 HydrophobicContact CD1-CG1 4.11Å; L86-V110 HydrophobicContact CD1-CG2 4.05Å; L86-H111 WeakPolarHBondContact O-CB 3.45Å; L86-H111 PolarHBondContact O-N 3.17Å; L86-A114 HydrophobicContact CB-CB 3.7Å; L86-A114 HydrophobicContact CD1-CB 4.41Å; L86-F115 HydrophobicContact CD1-CE1 3.84Å; L86-F115 HydrophobicContact CD1-CZ 3.76Å
87P96.8Very high96.4Very high73 Ų7340.9 Ų40.947%0.47424%0.242SC..  trans-70.2167.4176.929.6-35.5000112.2G89 A90 A114P87-G89 PolarHBondContact O-N 2.02Å; P87-A90 HydrophobicContact CG-CB 4.09Å; P87-A90 WeakPolarHBondContact O-CB 3.23Å; P87-A90 PolarHBondContact O-N 2.93Å; P87-A114 WeakPolarHBondContact O-CA 3.4Å
88P96.8Very high96.4Very high79 Ų7942.8 Ų42.851%0.51325%0.25SC..THydrogen-bonded Turntrans-55.1131.8170.422.9-33.4000111.2A90 R113P88-A90 VanDerWaalsContact C-N 3.26Å; P88-A90 PolarHBondContact O-N 2.97Å; P88-R113 HydrophobicContact CB-CB 4.13Å
89G93.9Very high96.5Very high27 Ų2748.1 Ų48.128%0.27827%0.27SS..THydrogen-bonded Turntrans63.529.1-18000000113.9P87 F91 A92 R113P87-G89 PolarHBondContact O-N 2.02Å; G89-F91 PolarHBondContact O-N 2.8Å; G89-A92 VanDerWaalsContact O-CB 3.28Å; G89-A92 WeakPolarHBondContact O-CB 3.48Å; G89-A92 PolarHBondContact O-N 3.45Å; G89-R113 PolarHBondContact N-O 3Å
90A96.3Very high96.5Very high16 Ų1647.3 Ų47.313%0.13227%0.266CS..THydrogen-bonded Turntrans-49.9-28.818000000113.8V65 L86 P87 P88 A114V65-A90 WeakPolarHBondContact CG1-O 3.37Å; V65-A90 HydrophobicContact CG2-CB 4.36Å; L86-A90 HydrophobicContact CB-CB 4.36Å; L86-A90 HydrophobicContact CD2-CB 4.36Å; P87-A90 HydrophobicContact CG-CB 4.09Å; P87-A90 WeakPolarHBondContact O-CB 3.23Å; P87-A90 PolarHBondContact O-N 2.93Å; P88-A90 VanDerWaalsContact C-N 3.26Å; P88-A90 PolarHBondContact O-N 2.97Å; A90-A114 PolarHBondContact N-O 3.17Å
91F96.3Very high96.5Very high2 Ų243.6 Ų43.61%0.00925%0.249CC..THydrogen-bonded Turntrans-112.827.2180-52.6-78000113.3V65 L69 L76 L78 L86 G89 G93 A94 L100 L102 F115 L118V65-F91 HydrophobicContact CB-CE1 4.41Å; V65-F91 HydrophobicContact CG1-CD1 3.87Å; V65-F91 HydrophobicContact CG1-CE1 3.66Å; V65-F91 HydrophobicContact CG1-CZ 4.5Å; V65-F91 HydrophobicContact CG2-CE1 3.79Å; V65-F91 HydrophobicContact CG2-CZ 3.84Å; L69-F91 HydrophobicContact CD1-CB 4.31Å; L69-F91 HydrophobicContact CD1-CD1 4.11Å; L76-F91 HydrophobicContact CD2-CD1 4Å; L76-F91 HydrophobicContact CD2-CE1 4.09Å; L78-F91 HydrophobicContact CD1-CE1 3.99Å; L86-F91 HydrophobicContact CD1-CE2 4.16Å; L86-F91 HydrophobicContact CD1-CZ 4.47Å; L86-F91 HydrophobicContact CD2-CE2 4.18Å; L86-F91 HydrophobicContact CD2-CZ 3.94Å; G89-F91 PolarHBondContact O-N 2.8Å; F91-G93 PolarHBondContact O-N 3.06Å; F91-A94 HydrophobicContact CB-CB 4.42Å; F91-A94 WeakPolarHBondContact O-CB 3.36Å; F91-A94 PolarHBondContact O-N 2.95Å; F91-L100 HydrophobicContact CD1-CD1 4.4Å; F91-L100 HydrophobicContact CD1-CD2 4.3Å; F91-L100 HydrophobicContact CD2-CD2 4.15Å; F91-L100 HydrophobicContact CE1-CD1 3.81Å; F91-L100 HydrophobicContact CE1-CD2 3.94Å; F91-L100 HydrophobicContact CE2-CD2 3.78Å; F91-L100 HydrophobicContact CG-CD2 4.41Å; F91-L100 HydrophobicContact CZ-CD1 4.17Å; F91-L100 HydrophobicContact CZ-CD2 3.69Å; F91-L102 HydrophobicContact CE2-CD1 4.46Å; F91-L102 HydrophobicContact CZ-CD1 3.88Å; F91-L102 HydrophobicContact CZ-CD2 4.36Å; F91-F115 HydrophobicContact CD2-CD1 4.13Å; F91-F115 HydrophobicContact CD2-CE1 4.49Å; F91-F115 AromaticContact CE2-CD1 3.99Å; F91-F115 HydrophobicContact CE2-CD1 3.99Å; F91-F115 AromaticContact CE2-CE1 3.89Å; F91-F115 HydrophobicContact CE2-CE1 3.89Å; F91-L118 HydrophobicContact CB-CD1 3.93Å; F91-L118 HydrophobicContact CB-CD2 3.88Å; F91-L118 HydrophobicContact CB-CG 4.18Å; F91-L118 HydrophobicContact CD2-CD1 3.87Å; F91-L118 HydrophobicContact CG-CD1 4.04Å
92A92.7Very high96.5Very high70 Ų7043.1 Ų43.158%0.57925%0.246SC*.THydrogen-bonded Turntrans-54.8135.6176.600000110.8G89 A94G89-A92 VanDerWaalsContact O-CB 3.28Å; G89-A92 WeakPolarHBondContact O-CB 3.48Å; G89-A92 PolarHBondContact O-N 3.45Å; A92-A94 VanDerWaalsContact C-N 3.33Å
93G90.8Very high96.5Very high41 Ų4139.5 Ų39.542%0.42323%0.232SC..THydrogen-bonded Turntrans90.9-21.6-174.800000114.6S70 L71 F91 G95S70-G93 CarbonylContact C-O 3.13Å; L71-G93 WeakPolarHBondContact CA-O 3.03Å; L71-G93 WeakPolarHBondContact CD2-O 3.31Å; L71-G93 WeakPolarHBondContact CG-O 2.96Å; L71-G93 PolarHBondContact N-O 2.98Å; L71-G93 VanDerWaalsContact N-O 3.07Å; F91-G93 PolarHBondContact O-N 3.06Å; G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 2.81Å
94A94.6Very high96.6Very high0 Ų044.1 Ų44.10%025%0.254CS..  trans-88.935.7-18000000114.1L69 F91 A92 G96 L97 L118L69-A94 HydrophobicContact CB-CB 4.02Å; L69-A94 HydrophobicContact CD1-CB 4.17Å; F91-A94 HydrophobicContact CB-CB 4.42Å; F91-A94 WeakPolarHBondContact O-CB 3.36Å; F91-A94 PolarHBondContact O-N 2.95Å; A92-A94 VanDerWaalsContact C-N 3.33Å; A94-G96 PolarHBondContact O-N 2.86Å; A94-G96 VanDerWaalsContact O-N 3.08Å; A94-L97 HydrophobicContact CB-CB 4.32Å; A94-L97 WeakPolarHBondContact O-CB 3.32Å; A94-L97 PolarHBondContact O-N 3Å; A94-L118 HydrophobicContact CB-CD2 4.28Å; A94-L118 WeakPolarHBondContact O-CD2 3.35Å
95G94.9Very high96.6Very high27 Ų2736.1 Ų36.128%0.27822%0.224SC..THydrogen-bonded Turntrans-62.3-18.6-174.400000115.7G93 L97 G117G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 2.81Å; G95-L97 VanDerWaalsContact C-N 3.34Å; G95-G117 WeakPolarHBondContact CA-O 3.28Å
96G95.4Very high96.7Very high11 Ų1135.1 Ų35.111%0.11322%0.218CC..THydrogen-bonded Turntrans-85.1-1.3175.900000115.1L73 R74 A94L73-G96 CarbonylContact O-C 3.57Å; R74-G96 WeakPolarHBondContact CD-O 3.26Å; R74-G96 PolarHBondContact NH1-O 3.06Å; R74-G96 VanDerWaalsContact NH1-O 3.1Å; A94-G96 PolarHBondContact O-N 2.86Å; A94-G96 VanDerWaalsContact O-N 3.08Å
97L97.4Very high96.7Very high0 Ų035 Ų350%022%0.217CC..  trans-67.7132-173.1-162.773.2000111.4L73 L76 A94 G95 L100 L118 A120 L121L73-L97 HydrophobicContact CB-CD1 4.13Å; L73-L97 WeakPolarHBondContact O-CA 3.23Å; L73-L97 PolarHBondContact O-N 2.94Å; L76-L97 HydrophobicContact CB-CD1 3.74Å; L76-L97 HydrophobicContact CB-CD2 4.16Å; A94-L97 HydrophobicContact CB-CB 4.32Å; A94-L97 WeakPolarHBondContact O-CB 3.32Å; A94-L97 PolarHBondContact O-N 3Å; G95-L97 VanDerWaalsContact C-N 3.34Å; L97-L100 HydrophobicContact CD2-CB 3.95Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-L100 HydrophobicContact CD2-CD2 4.46Å; L97-L100 HydrophobicContact CD2-CG 4.47Å; L97-L118 HydrophobicContact CB-CD2 4.23Å; L97-L118 HydrophobicContact CD2-CD2 4.36Å; L97-A120 CarbonylContact O-C 3.16Å; L97-A120 VanDerWaalsContact O-C 3.25Å; L97-L121 HydrophobicContact CB-CD1 4.27Å; L97-L121 HydrophobicContact CD2-CD1 3.95Å; L97-L121 HydrophobicContact CG-CD1 3.95Å; L97-L121 VanDerWaalsContact O-CA 3.26Å; L97-L121 WeakPolarHBondContact O-CA 3.49Å; L97-L121 PolarHBondContact O-N 3.31Å; L97-L121 VanDerWaalsContact O-N 3.17Å
98Q98.4Very high96.7Very high72 Ų7236.4 Ų36.434%0.33622%0.217SC..  trans-112.8-29.3-179.1-63.6177.8-3.100112R74 Q122 L123R74-Q98 WeakPolarHBondContact O-CA 3.49Å; R74-Q98 WeakPolarHBondContact O-CB 3.14Å; R74-Q98 PolarHBondContact O-N 3.23Å; Q98-Q122 WeakPolarHBondContact O-CA 3.45Å; Q98-Q122 PolarHBondContact O-N 3.1Å; Q98-L123 PolarHBondContact O-N 3.29Å
99R98.6Very high96.7Very high112 Ų11234.9 Ų34.942%0.42321%0.208SC..EExtended strand (participates in β ladder)trans-129.4127.5179-178.5172.6-177.31601.5110.6R74 A75 L76 L123R74-R99 PolarHBondContact O-N 3.34Å; A75-R99 VanDerWaalsContact CA-O 3.32Å; A75-R99 WeakPolarHBondContact CA-O 3.5Å; A75-R99 HydrophobicContact CB-CB 3.96Å; L76-R99 PolarHBondContact N-O 3.11Å; R99-L123 WeakPolarHBondContact CA-O 3.45Å; R99-L123 HydrophobicContact CG-CB 4.32Å; R99-L123 HydrophobicContact CG-CD2 4.12Å
100L98.6Very high96.9Very high0 Ų034.3 Ų34.30%020%0.199CC..EExtended strand (participates in β ladder)trans-129.4122.6174.3177.756000109.1L76 L78 F91 L97 L102 F115 L118 L121 L123 L124 D125L76-L100 HydrophobicContact CB-CD1 4.16Å; L76-L100 HydrophobicContact CD2-CD1 4.07Å; L76-L100 HydrophobicContact CG-CD1 4.18Å; L78-L100 HydrophobicContact CD1-CD1 4.44Å; F91-L100 HydrophobicContact CD1-CD1 4.4Å; F91-L100 HydrophobicContact CD1-CD2 4.3Å; F91-L100 HydrophobicContact CD2-CD2 4.15Å; F91-L100 HydrophobicContact CE1-CD1 3.81Å; F91-L100 HydrophobicContact CE1-CD2 3.94Å; F91-L100 HydrophobicContact CE2-CD2 3.78Å; F91-L100 HydrophobicContact CG-CD2 4.41Å; F91-L100 HydrophobicContact CZ-CD1 4.17Å; F91-L100 HydrophobicContact CZ-CD2 3.69Å; L97-L100 HydrophobicContact CD2-CB 3.95Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-L100 HydrophobicContact CD2-CD2 4.46Å; L97-L100 HydrophobicContact CD2-CG 4.47Å; L100-L102 HydrophobicContact CD1-CD1 4.21Å; L100-L102 HydrophobicContact CD1-CG 4.06Å; L100-L102 HydrophobicContact CD2-CD1 3.88Å; L100-L102 HydrophobicContact CG-CD1 3.91Å; L100-L102 HydrophobicContact CG-CG 4.13Å; L100-F115 HydrophobicContact CD2-CD1 4.42Å; L100-F115 HydrophobicContact CD2-CE1 4.19Å; L100-L118 HydrophobicContact CD2-CD1 4.17Å; L100-L121 HydrophobicContact CB-CD1 3.83Å; L100-L121 HydrophobicContact CB-CD2 4.3Å; L100-L123 PolarHBondContact N-O 3.2Å; L100-L124 HydrophobicContact CB-CD1 4.08Å; L100-L124 HydrophobicContact CD2-CD1 3.87Å; L100-L124 HydrophobicContact CG-CD1 3.95Å; L100-D125 PolarHBondContact O-N 2.96Å
101D98.7Very high96.9Very high1 Ų137.6 Ų37.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-116115.7178.8-166.4-17.7000109.7L76 L77 L78 D79 R103L76-D101 PolarHBondContact O-N 3.21Å; L77-D101 HydrophobicContact CD2-CB 3.8Å; L78-D101 CarbonylContact C-O 3.17Å; L78-D101 WeakPolarHBondContact CA-O 3.29Å; L78-D101 WeakPolarHBondContact CB-O 3.27Å; L78-D101 PolarHBondContact N-O 3.24Å; D79-D101 PolarHBondContact N-O 3.39Å; D101-R103 VanDerWaalsContact OD1-CG 3.31Å; D101-R103 WeakPolarHBondContact OD1-CG 3.28Å; D101-R103 PolarHBondContact OD1-N 3.09Å; D101-R103 IonicContact OD1-NE 3.06Å; D101-R103 PolarHBondContact OD1-NE 2.82Å; D101-R103 IonicContact OD2-CZ 3.56Å; D101-R103 IonicContact OD2-NE 3.03Å; D101-R103 PolarHBondContact OD2-NE 3.34Å; D101-R103 IonicContact OD2-NH2 3.72Å; D101-R103 PolarHBondContact OD2-NH2 3.04Å
102L98.6Very high96.9Very high0 Ų039.9 Ų39.90%023%0.226CC..  trans-126.822.2-179.3-73.5161.4000110.8L78 L86 F91 L100 N105 L107 D125 L126 N129L78-L102 HydrophobicContact CB-CD2 3.79Å; L78-L102 HydrophobicContact CD1-CD2 3.94Å; L86-L102 HydrophobicContact CD1-CD1 3.99Å; F91-L102 HydrophobicContact CE2-CD1 4.46Å; F91-L102 HydrophobicContact CZ-CD1 3.88Å; F91-L102 HydrophobicContact CZ-CD2 4.36Å; L100-L102 HydrophobicContact CD1-CD1 4.21Å; L100-L102 HydrophobicContact CD1-CG 4.06Å; L100-L102 HydrophobicContact CD2-CD1 3.88Å; L100-L102 HydrophobicContact CG-CD1 3.91Å; L100-L102 HydrophobicContact CG-CG 4.13Å; L102-N105 PolarHBondContact O-ND2 3.44Å; L102-N105 VanDerWaalsContact O-ND2 3.11Å; L102-L107 HydrophobicContact CB-CD1 4.19Å; L102-D125 WeakPolarHBondContact CA-O 3.43Å; L102-D125 WeakPolarHBondContact CB-O 3.03Å; L102-D125 PolarHBondContact N-O 2.98Å; L102-L126 HydrophobicContact CB-CD2 3.95Å; L102-L126 HydrophobicContact CD1-CD2 3.73Å; L102-N129 PolarHBondContact O-ND2 2.96Å
103R98.6Very high97.1Very high82 Ų8242.8 Ų42.831%0.30922%0.222SC..THydrogen-bonded Turntrans-63.1152.6-18075.2-174.7111.1164.79.7111.5D79 H80 D101 N105 S127D79-R103 VanDerWaalsContact CA-O 3.29Å; D79-R103 WeakPolarHBondContact CA-O 3.46Å; D79-R103 HydrophobicContact CB-CG 3.51Å; H80-R103 PolarHBondContact N-O 3Å; D101-R103 VanDerWaalsContact OD1-CG 3.31Å; D101-R103 WeakPolarHBondContact OD1-CG 3.28Å; D101-R103 PolarHBondContact OD1-N 3.09Å; D101-R103 IonicContact OD1-NE 3.06Å; D101-R103 PolarHBondContact OD1-NE 2.82Å; D101-R103 IonicContact OD2-CZ 3.56Å; D101-R103 IonicContact OD2-NE 3.03Å; D101-R103 PolarHBondContact OD2-NE 3.34Å; D101-R103 IonicContact OD2-NH2 3.72Å; D101-R103 PolarHBondContact OD2-NH2 3.04Å; R103-N105 VanDerWaalsContact C-N 3.33Å; R103-N105 PolarHBondContact O-N 2.87Å; R103-N105 PolarHBondContact O-ND2 3.46Å; R103-S127 WeakPolarHBondContact CA-O 3.15Å; R103-S127 WeakPolarHBondContact CB-OG 3.42Å
104E98.4Very high97.4Very high97 Ų9740.8 Ų40.845%0.45320%0.202SC..THydrogen-bonded Turntrans54.844.5173.2-60.8-171-146.900113.8H80 N81 S127 A128H80-E104 WeakPolarHBondContact CA-O 3.39Å; H80-E104 IonicContact CD2-OE2 2.96Å; H80-E104 PolarHBondContact CD2-OE2 2.97Å; H80-E104 IonicContact NE2-OE1 2.65Å; H80-E104 PolarHBondContact NE2-OE1 2.84Å; H80-E104 IonicContact NE2-OE2 3.19Å; H80-E104 PolarHBondContact NE2-OE2 2.89Å; N81-E104 PolarHBondContact N-O 3.1Å; E104-S127 PolarHBondContact N-O 2.94Å; E104-S127 VanDerWaalsContact N-O 3.15Å; E104-A128 VanDerWaalsContact CA-O 3.29Å; E104-A128 WeakPolarHBondContact CA-O 3.42Å; E104-A128 HydrophobicContact CG-CB 3.56Å; E104-A128 PolarHBondContact N-O 3.35Å
105N98.3Very high97.5Very high4 Ų440.8 Ų40.82%0.02120%0.202CC..SBendtrans-104.5-12.7178.8-94.1-88.3000114.3L78 N81 R82 V83 L102 R103 L107 N129L78-N105 PolarHBondContact O-ND2 2.95Å; N81-N105 WeakPolarHBondContact CB-OD1 3.06Å; N81-N105 WeakPolarHBondContact O-CA 3.42Å; R82-N105 CarbonylContact C-O 3.38Å; V83-N105 HydrophobicContact CB-CB 4.36Å; V83-N105 VanDerWaalsContact CB-OD1 3.3Å; V83-N105 WeakPolarHBondContact CB-OD1 3.16Å; V83-N105 WeakPolarHBondContact CG2-OD1 3.43Å; V83-N105 PolarHBondContact N-OD1 3.19Å; L102-N105 PolarHBondContact O-ND2 3.44Å; L102-N105 VanDerWaalsContact O-ND2 3.11Å; R103-N105 VanDerWaalsContact C-N 3.33Å; R103-N105 PolarHBondContact O-N 2.87Å; R103-N105 PolarHBondContact O-ND2 3.46Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-L107 HydrophobicContact CB-CD1 4.4Å; N105-L107 HydrophobicContact CB-CG 4.07Å; N105-N129 WeakPolarHBondContact CA-OD1 3.32Å; N105-N129 WeakPolarHBondContact CB-OD1 3.09Å; N105-N129 PolarHBondContact N-OD1 3.03Å
106G97.8Very high97.5Very high20 Ų2046.1 Ų46.121%0.20621%0.213CC..  trans67.330.7-169.800000112.8H108 N129G106-H108 PolarHBondContact O-N 2.74Å; G106-N129 PolarHBondContact N-OD1 3.33Å
107L98.2Very high97.5Very high0 Ų048.3 Ų48.30%024%0.236CC..  trans-61.5120.9176.1-79.8166.1000110.3V83 R84 L86 L102 N105 L126 N129 Q130 L131V83-L107 HydrophobicContact CG1-CD2 4.19Å; V83-L107 WeakPolarHBondContact O-CD2 3.41Å; V83-L107 WeakPolarHBondContact O-CG 3.38Å; R84-L107 WeakPolarHBondContact O-CA 3.42Å; L86-L107 HydrophobicContact CD1-CD1 4.41Å; L86-L107 HydrophobicContact CD2-CD2 4.21Å; L86-L107 HydrophobicContact CG-CD1 4.49Å; L86-L107 HydrophobicContact CG-CD2 3.79Å; L102-L107 HydrophobicContact CB-CD1 4.19Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-L107 HydrophobicContact CB-CD1 4.4Å; N105-L107 HydrophobicContact CB-CG 4.07Å; L107-L126 HydrophobicContact CD1-CD2 3.82Å; L107-N129 HydrophobicContact CB-CB 3.99Å; L107-N129 WeakPolarHBondContact CB-OD1 3.38Å; L107-N129 PolarHBondContact N-OD1 3.19Å; L107-Q130 CarbonylContact O-C 3.54Å; L107-Q130 VanDerWaalsContact O-CA 3.26Å; L107-Q130 WeakPolarHBondContact O-CA 3.11Å; L107-Q130 PolarHBondContact O-N 2.92Å; L107-L131 HydrophobicContact CB-CD2 4.16Å; L107-L131 PolarHBondContact O-N 3.24Å
108H97Very high97.5Very high104 Ų10448.3 Ų48.348%0.48124%0.236SC..  trans-105.8-16.5174.167.174.3000112.6R84 G106R84-H108 PolarHBondContact O-CD2 3.37Å; R84-H108 PolarHBondContact O-N 3.06Å; R84-H108 PolarHBondContact O-NE2 2.64Å; G106-H108 PolarHBondContact O-N 2.74Å
109S96.5Very high97.3Very high46 Ų4646.7 Ų46.732%0.32224%0.239SC..EExtended strand (participates in β ladder)trans-147.9139.4-179.562.20000112.9A85 L86A85-S109 WeakPolarHBondContact CA-O 3.29Å; A85-S109 VanDerWaalsContact CB-OG 3.31Å; A85-S109 WeakPolarHBondContact CB-OG 3.36Å; L86-S109 PolarHBondContact N-O 3.28Å; L86-S109 VanDerWaalsContact N-O 3.1Å
110V97.9Very high97.3Very high16 Ų1643 Ų4310%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-124.3118.3173.3179.10000108L86 A114 F115 L131 T138L86-V110 HydrophobicContact CB-CG1 4.36Å; L86-V110 HydrophobicContact CD1-CG1 4.11Å; L86-V110 HydrophobicContact CD1-CG2 4.05Å; V110-A114 HydrophobicContact CG1-CB 3.76Å; V110-F115 HydrophobicContact CG1-CD2 4.38Å; V110-F115 HydrophobicContact CG1-CE2 3.59Å; V110-F115 HydrophobicContact CG1-CZ 3.92Å; V110-L131 HydrophobicContact CG2-CD1 4.34Å; V110-L131 HydrophobicContact CG2-CD2 3.83Å; V110-T138 HydrophobicContact CB-CG2 4.46Å; V110-T138 HydrophobicContact CG1-CG2 3.76Å
111H97.3Very high97.3Very high84 Ų8443 Ų4339%0.38923%0.233SC..  trans-66.2144.3176.2-168.7-90.5000110.5L86 R113 A114L86-H111 WeakPolarHBondContact O-CB 3.45Å; L86-H111 PolarHBondContact O-N 3.17Å; H111-R113 PolarHBondContact ND1-N 2.02Å; H111-R113 VanDerWaalsContact ND1-N 3.17Å; H111-R113 PolarHBondContact O-N 3.29Å; H111-A114 WeakPolarHBondContact O-CB 3.25Å; H111-A114 PolarHBondContact O-N 2.84Å
112V95.9Very high97.3Very high50 Ų5046.2 Ų46.230%0.30325%0.247SC..THydrogen-bonded Turntrans-56.6-23.5-179.165.90000114A135 P136V112-A135 HydrophobicContact CB-CB 4.18Å; V112-P136 WeakPolarHBondContact CG2-O 3.47Å
113R96.3Very high97.3Very high131 Ų13148.5 Ų48.549%0.49426%0.259SS..THydrogen-bonded Turntrans-103.111.2176.2-53.9-165.2-175.6156.80.7114.7P88 G89 H111 F115 W116P88-R113 HydrophobicContact CB-CB 4.13Å; G89-R113 PolarHBondContact N-O 3Å; H111-R113 PolarHBondContact ND1-N 2.02Å; H111-R113 VanDerWaalsContact ND1-N 3.17Å; H111-R113 PolarHBondContact O-N 3.29Å; R113-F115 VanDerWaalsContact C-N 3.3Å; R113-F115 PolarHBondContact O-N 3.12Å; R113-W116 VanDerWaalsContact CA-CD1 3.46Å; R113-W116 HydrophobicContact CB-CD2 4.08Å; R113-W116 HydrophobicContact CB-CG 3.92Å; R113-W116 HydrophobicContact CG-CD2 4.03Å; R113-W116 HydrophobicContact CG-CG 4.34Å; R113-W116 HydrophobicContact CG-CZ2 3.97Å; R113-W116 PolarHBondContact O-N 3.03Å
114A97.4Very high97.3Very high0 Ų044.7 Ų44.70%025%0.245CC..THydrogen-bonded Turntrans-59.7-41.2-177.200000112.4L86 P87 A90 V110 H111L86-A114 HydrophobicContact CB-CB 3.7Å; L86-A114 HydrophobicContact CD1-CB 4.41Å; P87-A114 WeakPolarHBondContact O-CA 3.4Å; A90-A114 PolarHBondContact N-O 3.17Å; V110-A114 HydrophobicContact CG1-CB 3.76Å; H111-A114 WeakPolarHBondContact O-CB 3.25Å; H111-A114 PolarHBondContact O-N 2.84Å
115F97.3Very high97.3Very high0 Ų041.3 Ų41.30%023%0.23CC..THydrogen-bonded Turntrans-96.414.6-176.8-53.5-60000114.4L86 F91 L100 V110 R113 G117 L118 L124 L126 T138 F139 P141 L142L86-F115 HydrophobicContact CD1-CE1 3.84Å; L86-F115 HydrophobicContact CD1-CZ 3.76Å; F91-F115 HydrophobicContact CD2-CD1 4.13Å; F91-F115 HydrophobicContact CD2-CE1 4.49Å; F91-F115 AromaticContact CE2-CD1 3.99Å; F91-F115 HydrophobicContact CE2-CD1 3.99Å; F91-F115 AromaticContact CE2-CE1 3.89Å; F91-F115 HydrophobicContact CE2-CE1 3.89Å; L100-F115 HydrophobicContact CD2-CD1 4.42Å; L100-F115 HydrophobicContact CD2-CE1 4.19Å; V110-F115 HydrophobicContact CG1-CD2 4.38Å; V110-F115 HydrophobicContact CG1-CE2 3.59Å; V110-F115 HydrophobicContact CG1-CZ 3.92Å; R113-F115 VanDerWaalsContact C-N 3.3Å; R113-F115 PolarHBondContact O-N 3.12Å; F115-G117 PolarHBondContact O-N 2.91Å; F115-L118 HydrophobicContact CB-CD1 4.27Å; F115-L118 HydrophobicContact CD1-CD1 4.03Å; F115-L118 WeakPolarHBondContact O-CB 3.46Å; F115-L118 PolarHBondContact O-N 3.49Å; F115-L124 HydrophobicContact CE1-CD1 4.21Å; F115-L124 HydrophobicContact CE1-CD2 4.16Å; F115-L124 HydrophobicContact CE2-CD2 4.19Å; F115-L124 HydrophobicContact CZ-CD1 4.49Å; F115-L124 HydrophobicContact CZ-CD2 3.97Å; F115-L126 HydrophobicContact CE2-CD1 4.46Å; F115-L126 HydrophobicContact CZ-CD1 4.04Å; F115-L126 HydrophobicContact CZ-CD2 4.35Å; F115-T138 HydrophobicContact CD2-CG2 4.12Å; F115-T138 HydrophobicContact CE2-CG2 3.94Å; F115-F139 HydrophobicContact CD2-CD1 4.05Å; F115-F139 HydrophobicContact CD2-CE1 4.19Å; F115-F139 AromaticContact CE2-CD1 3.95Å; F115-F139 HydrophobicContact CE2-CD1 3.95Å; F115-F139 AromaticContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CZ-CE1 4.4Å; F115-P141 HydrophobicContact CB-CG 4.2Å; F115-P141 WeakPolarHBondContact O-CG 3.47Å; F115-L142 HydrophobicContact CB-CD1 4.44Å; F115-L142 HydrophobicContact CB-CD2 3.88Å; F115-L142 HydrophobicContact CB-CG 4.29Å; F115-L142 HydrophobicContact CD2-CD1 4.49Å; F115-L142 HydrophobicContact CG-CD1 4.45Å
116W95.6Very high97.3Very high138 Ų13841.1 Ų41.152%0.52323%0.229SC..THydrogen-bonded Turntrans-63.1136.5177.3-85.235.2000111R113 L118R113-W116 VanDerWaalsContact CA-CD1 3.46Å; R113-W116 HydrophobicContact CB-CD2 4.08Å; R113-W116 HydrophobicContact CB-CG 3.92Å; R113-W116 HydrophobicContact CG-CD2 4.03Å; R113-W116 HydrophobicContact CG-CG 4.34Å; R113-W116 HydrophobicContact CG-CZ2 3.97Å; R113-W116 PolarHBondContact O-N 3.03Å; W116-L118 VanDerWaalsContact C-N 3.34Å
117G93.9Very high97.4Very high58 Ų5841.1 Ų41.160%0.59823%0.226SC*.THydrogen-bonded Turntrans88.5-10.3-176.400000114.8G95 F115 G119G95-G117 WeakPolarHBondContact CA-O 3.28Å; F115-G117 PolarHBondContact O-N 2.91Å; G117-G119 PolarHBondContact O-N 2.87Å; G117-G119 VanDerWaalsContact O-N 3.1Å
118L97.2Very high97.4Very high0 Ų043.3 Ų43.30%024%0.244CC..  trans-8745.5179.4-58.7-174000113.2F91 A94 L97 L100 F115 W116 A120 L121 L142F91-L118 HydrophobicContact CB-CD1 3.93Å; F91-L118 HydrophobicContact CB-CD2 3.88Å; F91-L118 HydrophobicContact CB-CG 4.18Å; F91-L118 HydrophobicContact CD2-CD1 3.87Å; F91-L118 HydrophobicContact CG-CD1 4.04Å; A94-L118 HydrophobicContact CB-CD2 4.28Å; A94-L118 WeakPolarHBondContact O-CD2 3.35Å; L97-L118 HydrophobicContact CB-CD2 4.23Å; L97-L118 HydrophobicContact CD2-CD2 4.36Å; L100-L118 HydrophobicContact CD2-CD1 4.17Å; F115-L118 HydrophobicContact CB-CD1 4.27Å; F115-L118 HydrophobicContact CD1-CD1 4.03Å; F115-L118 WeakPolarHBondContact O-CB 3.46Å; F115-L118 PolarHBondContact O-N 3.49Å; W116-L118 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.84Å; L118-L121 HydrophobicContact CB-CB 4.19Å; L118-L121 HydrophobicContact CD1-CD2 4.3Å; L118-L121 VanDerWaalsContact O-CB 3.32Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.2Å; L118-L142 HydrophobicContact CB-CD2 3.72Å; L118-L142 WeakPolarHBondContact O-CD2 3.31Å
119G95.9Very high97.5Very high38 Ų3838.8 Ų38.839%0.39222%0.223SC..THydrogen-bonded Turntrans-65.5-23.2-175.800000114.5G117 A144G117-G119 PolarHBondContact O-N 2.87Å; G117-G119 VanDerWaalsContact O-N 3.1Å; G119-A144 VanDerWaalsContact O-CB 3.23Å; G119-A144 WeakPolarHBondContact O-CB 3.17Å; G119-A144 PolarHBondContact O-N 2.88Å
120A97.6Very high97.6Very high35 Ų3540.6 Ų40.629%0.28923%0.227SC..THydrogen-bonded Turntrans-88.7-2.5178.500000114L97 L118 Q122L97-A120 CarbonylContact O-C 3.16Å; L97-A120 VanDerWaalsContact O-C 3.25Å; L118-A120 PolarHBondContact O-N 2.84Å; A120-Q122 PolarHBondContact O-N 3.34Å
121L98.5Very high97.6Very high0 Ų039.8 Ų39.80%022%0.222CC..  trans-67.5129-174.9-161.175.3000110.7L97 L100 L118 L124 L142 A144 L145L97-L121 HydrophobicContact CB-CD1 4.27Å; L97-L121 HydrophobicContact CD2-CD1 3.95Å; L97-L121 HydrophobicContact CG-CD1 3.95Å; L97-L121 VanDerWaalsContact O-CA 3.26Å; L97-L121 WeakPolarHBondContact O-CA 3.49Å; L97-L121 PolarHBondContact O-N 3.31Å; L97-L121 VanDerWaalsContact O-N 3.17Å; L100-L121 HydrophobicContact CB-CD1 3.83Å; L100-L121 HydrophobicContact CB-CD2 4.3Å; L118-L121 HydrophobicContact CB-CB 4.19Å; L118-L121 HydrophobicContact CD1-CD2 4.3Å; L118-L121 VanDerWaalsContact O-CB 3.32Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.2Å; L121-L124 HydrophobicContact CD2-CB 3.95Å; L121-L124 HydrophobicContact CD2-CD1 4.37Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L121-L142 HydrophobicContact CB-CD2 4.07Å; L121-L142 HydrophobicContact CD2-CD1 4.28Å; L121-L142 HydrophobicContact CD2-CD2 3.85Å; L121-A144 CarbonylContact O-C 3.23Å; L121-L145 HydrophobicContact CD2-CD1 4.21Å; L121-L145 HydrophobicContact CG-CD1 4.31Å; L121-L145 VanDerWaalsContact O-CA 3.23Å; L121-L145 WeakPolarHBondContact O-CA 3.31Å; L121-L145 PolarHBondContact O-N 2.93Å
122Q98.7Very high97.6Very high67 Ų6741.5 Ų41.531%0.31323%0.23SC..  trans-110.8-35.1-178.1-60.3-177.26.800112Q98 A120 R146 N147Q98-Q122 WeakPolarHBondContact O-CA 3.45Å; Q98-Q122 PolarHBondContact O-N 3.1Å; A120-Q122 PolarHBondContact O-N 3.34Å; Q122-R146 PolarHBondContact O-N 2.98Å; Q122-N147 PolarHBondContact O-N 3.14Å
123L98.8Very high97.6Very high49 Ų4942.4 Ų42.426%0.25724%0.243SC..EExtended strand (participates in β ladder)trans-125.1123.2179-168.8158.4000109.7Q98 R99 L100 D125 N147Q98-L123 PolarHBondContact O-N 3.29Å; R99-L123 WeakPolarHBondContact CA-O 3.45Å; R99-L123 HydrophobicContact CG-CB 4.32Å; R99-L123 HydrophobicContact CG-CD2 4.12Å; L100-L123 PolarHBondContact N-O 3.2Å; L123-D125 HydrophobicContact CD2-CB 4.26Å; L123-N147 HydrophobicContact CB-CB 4.46Å; L123-N147 HydrophobicContact CG-CB 4.08Å
124L98.8Very high97.6Very high1 Ų137.3 Ų37.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-124.1118.6171.1177.655.7000109.5L100 F115 L121 L126 F139 L142 L145 N147 L148 S149L100-L124 HydrophobicContact CB-CD1 4.08Å; L100-L124 HydrophobicContact CD2-CD1 3.87Å; L100-L124 HydrophobicContact CG-CD1 3.95Å; F115-L124 HydrophobicContact CE1-CD1 4.21Å; F115-L124 HydrophobicContact CE1-CD2 4.16Å; F115-L124 HydrophobicContact CE2-CD2 4.19Å; F115-L124 HydrophobicContact CZ-CD1 4.49Å; F115-L124 HydrophobicContact CZ-CD2 3.97Å; L121-L124 HydrophobicContact CD2-CB 3.95Å; L121-L124 HydrophobicContact CD2-CD1 4.37Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L124-L126 HydrophobicContact CD1-CD1 4.45Å; L124-L126 HydrophobicContact CD1-CD2 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.06Å; L124-L126 HydrophobicContact CD2-CD1 3.97Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD1 4.13Å; L124-L126 HydrophobicContact CG-CG 4.08Å; L124-F139 HydrophobicContact CD2-CD1 4.01Å; L124-F139 HydrophobicContact CD2-CE1 3.8Å; L124-L142 HydrophobicContact CD2-CD1 3.69Å; L124-L145 HydrophobicContact CB-CD1 3.83Å; L124-N147 PolarHBondContact N-O 3.35Å; L124-L148 HydrophobicContact CB-CD1 4.1Å; L124-L148 HydrophobicContact CD2-CD1 3.94Å; L124-L148 HydrophobicContact CG-CD1 3.98Å; L124-L148 WeakPolarHBondContact O-CA 3.44Å; L124-S149 PolarHBondContact O-N 2.97Å
125D98.8Very high97.5Very high27 Ų2739.2 Ų39.214%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-109.3114173.1-159.3-23.8000110.4L100 L102 L123 S127 S149L100-D125 PolarHBondContact O-N 2.96Å; L102-D125 WeakPolarHBondContact CA-O 3.43Å; L102-D125 WeakPolarHBondContact CB-O 3.03Å; L102-D125 PolarHBondContact N-O 2.98Å; L123-D125 HydrophobicContact CD2-CB 4.26Å; D125-S127 WeakPolarHBondContact OD1-CB 3.16Å; D125-S127 PolarHBondContact OD1-N 3.17Å; D125-S127 PolarHBondContact OD1-OG 2.99Å; D125-S149 WeakPolarHBondContact OD1-CB 3.31Å
126L98.7Very high97.4Very high0 Ų043.7 Ų43.70%027%0.27CS..  trans-116.920.6174.2-70.6167.1000110.7L102 L107 F115 L124 N129 L131 F139 S149 L150 N153L102-L126 HydrophobicContact CB-CD2 3.95Å; L102-L126 HydrophobicContact CD1-CD2 3.73Å; L107-L126 HydrophobicContact CD1-CD2 3.82Å; F115-L126 HydrophobicContact CE2-CD1 4.46Å; F115-L126 HydrophobicContact CZ-CD1 4.04Å; F115-L126 HydrophobicContact CZ-CD2 4.35Å; L124-L126 HydrophobicContact CD1-CD1 4.45Å; L124-L126 HydrophobicContact CD1-CD2 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.06Å; L124-L126 HydrophobicContact CD2-CD1 3.97Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD1 4.13Å; L124-L126 HydrophobicContact CG-CG 4.08Å; L126-N129 PolarHBondContact O-ND2 3.28Å; L126-L131 HydrophobicContact CB-CD1 4.49Å; L126-F139 HydrophobicContact CD1-CE1 3.83Å; L126-F139 HydrophobicContact CD1-CZ 4.01Å; L126-S149 CarbonylContact C-O 3.5Å; L126-S149 WeakPolarHBondContact CA-O 3.3Å; L126-S149 WeakPolarHBondContact CB-O 3.31Å; L126-S149 PolarHBondContact N-O 2.94Å; L126-L150 HydrophobicContact CB-CD2 4.03Å; L126-L150 HydrophobicContact CD1-CD2 3.93Å; L126-N153 PolarHBondContact O-ND2 2.98Å
127S98.8Very high97.3Very high19 Ų1938.1 Ų38.113%0.13326%0.255CS..  trans-68.4161.5-175.860.70000113.9R103 E104 D125 N129 A151R103-S127 WeakPolarHBondContact CA-O 3.15Å; R103-S127 WeakPolarHBondContact CB-OG 3.42Å; E104-S127 PolarHBondContact N-O 2.94Å; E104-S127 VanDerWaalsContact N-O 3.15Å; D125-S127 WeakPolarHBondContact OD1-CB 3.16Å; D125-S127 PolarHBondContact OD1-N 3.17Å; D125-S127 PolarHBondContact OD1-OG 2.99Å; S127-N129 VanDerWaalsContact C-N 3.29Å; S127-N129 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact O-ND2 2.93Å; S127-N129 VanDerWaalsContact O-ND2 3.14Å; S127-A151 CarbonylContact C-O 3.5Å; S127-A151 WeakPolarHBondContact CA-O 3.45Å; S127-A151 VanDerWaalsContact CB-O 3.32Å; S127-A151 WeakPolarHBondContact CB-O 3.5Å
128A98.6Very high97.4Very high46 Ų4635.3 Ų35.338%0.3823%0.227SC..SBendtrans52.547.3177.800000112.4E104 A151 G152E104-A128 VanDerWaalsContact CA-O 3.29Å; E104-A128 WeakPolarHBondContact CA-O 3.42Å; E104-A128 HydrophobicContact CG-CB 3.56Å; E104-A128 PolarHBondContact N-O 3.35Å; A128-A151 PolarHBondContact N-O 3.03Å; A128-G152 CarbonylContact C-O 3.59Å; A128-G152 WeakPolarHBondContact CA-O 3.47Å; A128-G152 PolarHBondContact N-O 2.8Å
129N98.8Very high97.4Very high9 Ų935.3 Ų35.35%0.04823%0.227CC..SBendtrans-118.8-165.4176.9-81.9-60.8000109.8L102 N105 G106 L107 L126 S127 L131 G152 N153L102-N129 PolarHBondContact O-ND2 2.96Å; N105-N129 WeakPolarHBondContact CA-OD1 3.32Å; N105-N129 WeakPolarHBondContact CB-OD1 3.09Å; N105-N129 PolarHBondContact N-OD1 3.03Å; G106-N129 PolarHBondContact N-OD1 3.33Å; L107-N129 HydrophobicContact CB-CB 3.99Å; L107-N129 WeakPolarHBondContact CB-OD1 3.38Å; L107-N129 PolarHBondContact N-OD1 3.19Å; L126-N129 PolarHBondContact O-ND2 3.28Å; S127-N129 VanDerWaalsContact C-N 3.29Å; S127-N129 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact O-ND2 2.93Å; S127-N129 VanDerWaalsContact O-ND2 3.14Å; N129-L131 HydrophobicContact CB-CG 4.45Å; N129-G152 PolarHBondContact N-O 2.9Å; N129-G152 VanDerWaalsContact N-O 3.14Å; N129-G152 VanDerWaalsContact O-O 3.13Å; N129-N153 WeakPolarHBondContact CA-OD1 3.37Å; N129-N153 WeakPolarHBondContact CB-OD1 3.41Å; N129-N153 PolarHBondContact O-OD1 3.06Å
130Q98.3Very high97.3Very high84 Ų8435 Ų3539%0.39322%0.22SC..  trans-124.932.2-174-55.1-174.86.700111.1L107 E132 N153L107-Q130 CarbonylContact O-C 3.54Å; L107-Q130 VanDerWaalsContact O-CA 3.26Å; L107-Q130 WeakPolarHBondContact O-CA 3.11Å; L107-Q130 PolarHBondContact O-N 2.92Å; Q130-E132 PolarHBondContact O-N 2.96Å; Q130-N153 PolarHBondContact N-OD1 3.31Å
131L98.4Very high97.2Very high0 Ų034.6 Ų34.60%022%0.215CC..  trans-75121.3-178-59.1174000110.3L107 V110 L126 N129 L150 N153 R154 L155L107-L131 HydrophobicContact CB-CD2 4.16Å; L107-L131 PolarHBondContact O-N 3.24Å; V110-L131 HydrophobicContact CG2-CD1 4.34Å; V110-L131 HydrophobicContact CG2-CD2 3.83Å; L126-L131 HydrophobicContact CB-CD1 4.49Å; N129-L131 HydrophobicContact CB-CG 4.45Å; L131-L150 HydrophobicContact CD1-CD2 4.4Å; L131-N153 HydrophobicContact CB-CB 4.26Å; L131-N153 VanDerWaalsContact CB-OD1 3.31Å; L131-N153 WeakPolarHBondContact CB-OD1 3.47Å; L131-N153 WeakPolarHBondContact CG-OD1 3.31Å; L131-N153 PolarHBondContact N-OD1 3.41Å; L131-R154 CarbonylContact O-C 3.11Å; L131-R154 VanDerWaalsContact O-C 3.23Å; L131-R154 WeakPolarHBondContact O-CA 3.43Å; L131-R154 PolarHBondContact O-N 3.07Å; L131-L155 HydrophobicContact CB-CD2 4.24Å; L131-L155 WeakPolarHBondContact O-CD2 3.38Å; L131-L155 PolarHBondContact O-N 2.78Å
132E97.5Very high97.1Very high119 Ų11934.6 Ų34.656%0.55622%0.215SC*.  trans-96.2-31.4178.1-67.5175.9-169.200112.4Q130 R154Q130-E132 PolarHBondContact O-N 2.96Å; E132-R154 WeakPolarHBondContact CA-O 3.35Å; E132-R154 HydrophobicContact CG-CB 3.96Å; E132-R154 IonicContact OE1-NH1 3.8Å
133A95.2Very high96.9Very high70 Ų7038.5 Ų38.558%0.57923%0.227SC*.  trans-150.4159.4178.900000111.6
134L96.4Very high96.8Very high23 Ų2337.3 Ų37.312%0.1222%0.224CC..  trans-124.2130.4177.5-71159.7000109.7T138 F139 L150 L155 L158 A162L134-T138 HydrophobicContact CD2-CG2 4.29Å; L134-F139 HydrophobicContact CD1-CE2 3.75Å; L134-F139 HydrophobicContact CD1-CZ 4.19Å; L134-F139 HydrophobicContact CD2-CE2 4.02Å; L134-F139 HydrophobicContact CD2-CZ 3.86Å; L134-F139 HydrophobicContact CG-CE2 4.4Å; L134-L150 HydrophobicContact CD1-CD1 3.94Å; L134-L150 HydrophobicContact CD1-CD2 4.33Å; L134-L155 HydrophobicContact CD1-CD1 4.19Å; L134-L155 HydrophobicContact CD1-CD2 4.17Å; L134-L155 HydrophobicContact CG-CD2 4.2Å; L134-L158 HydrophobicContact CD1-CD1 3.79Å; L134-A162 HydrophobicContact CB-CB 3.91Å
135A95.6Very high96.8Very high40 Ų4037.3 Ų37.333%0.33122%0.224SC..  trans-68.1148.1178.700000111.1V112 G137 T138V112-A135 HydrophobicContact CB-CB 4.18Å; A135-G137 PolarHBondContact O-N 3.02Å; A135-T138 PolarHBondContact N-OG1 3.11Å; A135-T138 WeakPolarHBondContact O-CB 3.49Å; A135-T138 PolarHBondContact O-N 3.29Å; A135-T138 VanDerWaalsContact O-N 3.17Å; A135-T138 PolarHBondContact O-OG1 2.93Å
136P95.5Very high96.8Very high95 Ų9541 Ų4162%0.61724%0.235SC*.THydrogen-bonded Turntrans-51.5128.1171.9-28.836.9000112.2V112 A161V112-P136 WeakPolarHBondContact CG2-O 3.47Å; P136-A161 CarbonylContact C-O 3.25Å; P136-A161 WeakPolarHBondContact CA-O 3.26Å; P136-A161 HydrophobicContact CB-CB 4.04Å; P136-A161 HydrophobicContact CG-CB 4.45Å
137G93.6Very high96.8Very high20 Ų2044.2 Ų44.221%0.20625%0.253CS..THydrogen-bonded Turntrans80.59.2177.100000115.2A135 F139 A140 A161A135-G137 PolarHBondContact O-N 3.02Å; G137-F139 PolarHBondContact O-N 3.03Å; G137-A140 WeakPolarHBondContact O-CB 3.47Å; G137-A140 PolarHBondContact O-N 2.8Å; G137-A140 VanDerWaalsContact O-N 3.14Å; G137-A161 PolarHBondContact N-O 2.91Å
138T96.1Very high96.8Very high0 Ų043.5 Ų43.50%025%0.247CC..THydrogen-bonded Turntrans-52.1-41178.9-63.40000111.9V110 F115 L134 A135 A162V110-T138 HydrophobicContact CB-CG2 4.46Å; V110-T138 HydrophobicContact CG1-CG2 3.76Å; F115-T138 HydrophobicContact CD2-CG2 4.12Å; F115-T138 HydrophobicContact CE2-CG2 3.94Å; L134-T138 HydrophobicContact CD2-CG2 4.29Å; A135-T138 PolarHBondContact N-OG1 3.11Å; A135-T138 WeakPolarHBondContact O-CB 3.49Å; A135-T138 PolarHBondContact O-N 3.29Å; A135-T138 VanDerWaalsContact O-N 3.17Å; A135-T138 PolarHBondContact O-OG1 2.93Å; T138-A162 PolarHBondContact N-O 3.29Å
139F96.9Very high96.8Very high0 Ų042.3 Ų42.30%024%0.237CC..THydrogen-bonded Turntrans-102.2-0.1-178.9-53.3-65.6000114.7F115 L124 L126 L134 G137 P141 L142 L148 L150 L163 L166F115-F139 HydrophobicContact CD2-CD1 4.05Å; F115-F139 HydrophobicContact CD2-CE1 4.19Å; F115-F139 AromaticContact CE2-CD1 3.95Å; F115-F139 HydrophobicContact CE2-CD1 3.95Å; F115-F139 AromaticContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CZ-CE1 4.4Å; L124-F139 HydrophobicContact CD2-CD1 4.01Å; L124-F139 HydrophobicContact CD2-CE1 3.8Å; L126-F139 HydrophobicContact CD1-CE1 3.83Å; L126-F139 HydrophobicContact CD1-CZ 4.01Å; L134-F139 HydrophobicContact CD1-CE2 3.75Å; L134-F139 HydrophobicContact CD1-CZ 4.19Å; L134-F139 HydrophobicContact CD2-CE2 4.02Å; L134-F139 HydrophobicContact CD2-CZ 3.86Å; L134-F139 HydrophobicContact CG-CE2 4.4Å; G137-F139 PolarHBondContact O-N 3.03Å; F139-P141 VanDerWaalsContact C-N 3.32Å; F139-P141 VanDerWaalsContact O-N 3.16Å; F139-L142 HydrophobicContact CB-CD1 4.21Å; F139-L142 HydrophobicContact CD1-CD1 3.8Å; F139-L142 HydrophobicContact CG-CD1 4.48Å; F139-L142 WeakPolarHBondContact O-CB 3.47Å; F139-L142 PolarHBondContact O-N 2.89Å; F139-L148 HydrophobicContact CD2-CD2 4.29Å; F139-L148 HydrophobicContact CE1-CD1 4.26Å; F139-L148 HydrophobicContact CE2-CD2 4.24Å; F139-L148 HydrophobicContact CG-CD2 4.47Å; F139-L148 HydrophobicContact CZ-CD1 4.44Å; F139-L148 HydrophobicContact CZ-CD2 4.43Å; F139-L150 HydrophobicContact CE2-CD1 4.39Å; F139-L150 HydrophobicContact CZ-CD2 4.11Å; F139-L163 HydrophobicContact CD2-CD2 3.71Å; F139-L163 HydrophobicContact CE2-CD2 4.02Å; F139-L166 HydrophobicContact CB-CD1 4.35Å; F139-L166 HydrophobicContact CB-CD2 4.33Å
140A93.9Very high96.8Very high31 Ų3141.9 Ų41.926%0.25623%0.234SC..THydrogen-bonded Turntrans-53.6-31.5179.200000116.5G137 L142 R143G137-A140 WeakPolarHBondContact O-CB 3.47Å; G137-A140 PolarHBondContact O-N 2.8Å; G137-A140 VanDerWaalsContact O-N 3.14Å; A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.18Å; A140-R143 PolarHBondContact O-NE 2.89Å
141P94.6Very high96.8Very high27 Ų2738.2 Ų38.218%0.17522%0.218CC..THydrogen-bonded Turntrans-72.2-16.4175.627.6-36000114.1F115 F139 R143F115-P141 HydrophobicContact CB-CG 4.2Å; F115-P141 WeakPolarHBondContact O-CG 3.47Å; F139-P141 VanDerWaalsContact C-N 3.32Å; F139-P141 VanDerWaalsContact O-N 3.16Å; P141-R143 VanDerWaalsContact C-N 3.28Å; P141-R143 PolarHBondContact O-N 3.34Å
142L97Very high96.8Very high0 Ų039.6 Ų39.60%023%0.232CC..  trans-84.461.9-170.9-53.9-178.9000112.2F115 L118 L121 L124 F139 A140 A144 L145 L166F115-L142 HydrophobicContact CB-CD1 4.44Å; F115-L142 HydrophobicContact CB-CD2 3.88Å; F115-L142 HydrophobicContact CB-CG 4.29Å; F115-L142 HydrophobicContact CD2-CD1 4.49Å; F115-L142 HydrophobicContact CG-CD1 4.45Å; L118-L142 HydrophobicContact CB-CD2 3.72Å; L118-L142 WeakPolarHBondContact O-CD2 3.31Å; L121-L142 HydrophobicContact CB-CD2 4.07Å; L121-L142 HydrophobicContact CD2-CD1 4.28Å; L121-L142 HydrophobicContact CD2-CD2 3.85Å; L124-L142 HydrophobicContact CD2-CD1 3.69Å; F139-L142 HydrophobicContact CB-CD1 4.21Å; F139-L142 HydrophobicContact CD1-CD1 3.8Å; F139-L142 HydrophobicContact CG-CD1 4.48Å; F139-L142 WeakPolarHBondContact O-CB 3.47Å; F139-L142 PolarHBondContact O-N 2.89Å; A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.18Å; L142-A144 VanDerWaalsContact C-N 3.28Å; L142-A144 PolarHBondContact O-N 3.2Å; L142-L145 HydrophobicContact CB-CB 3.93Å; L142-L145 HydrophobicContact CB-CD2 4.19Å; L142-L145 HydrophobicContact CB-CG 4.45Å; L142-L145 HydrophobicContact CD1-CD1 4.32Å; L142-L145 HydrophobicContact CD1-CD2 3.91Å; L142-L145 VanDerWaalsContact O-CB 3.26Å; L142-L145 WeakPolarHBondContact O-CB 3.27Å; L142-L145 PolarHBondContact O-N 2.56Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L142-L166 HydrophobicContact CB-CD2 4.41Å
143R94.8Very high96.9Very high149 Ų14934.3 Ų34.356%0.56221%0.208SC*.THydrogen-bonded Turntrans-67.3-24.9-171.6-60.6-60-177.5141.16114.5A140 P141A140-R143 PolarHBondContact O-NE 2.89Å; P141-R143 VanDerWaalsContact C-N 3.28Å; P141-R143 PolarHBondContact O-N 3.34Å
144A97.8Very high97.1Very high23 Ų2335.3 Ų35.319%0.1920%0.197CC..THydrogen-bonded Turntrans-92.12.8177.100000114.1G119 L121 L142 R146G119-A144 VanDerWaalsContact O-CB 3.23Å; G119-A144 WeakPolarHBondContact O-CB 3.17Å; G119-A144 PolarHBondContact O-N 2.88Å; L121-A144 CarbonylContact O-C 3.23Å; L142-A144 VanDerWaalsContact C-N 3.28Å; L142-A144 PolarHBondContact O-N 3.2Å; A144-R146 PolarHBondContact O-N 3.12Å
145L98.5Very high97.1Very high1 Ų134.2 Ų34.21%0.00519%0.191CC..  trans-65.9129.6-171.5-160.771.3000111.2L121 L124 L142 L148 L166 L168 L169L121-L145 HydrophobicContact CD2-CD1 4.21Å; L121-L145 HydrophobicContact CG-CD1 4.31Å; L121-L145 VanDerWaalsContact O-CA 3.23Å; L121-L145 WeakPolarHBondContact O-CA 3.31Å; L121-L145 PolarHBondContact O-N 2.93Å; L124-L145 HydrophobicContact CB-CD1 3.83Å; L142-L145 HydrophobicContact CB-CB 3.93Å; L142-L145 HydrophobicContact CB-CD2 4.19Å; L142-L145 HydrophobicContact CB-CG 4.45Å; L142-L145 HydrophobicContact CD1-CD1 4.32Å; L142-L145 HydrophobicContact CD1-CD2 3.91Å; L142-L145 VanDerWaalsContact O-CB 3.26Å; L142-L145 WeakPolarHBondContact O-CB 3.27Å; L142-L145 PolarHBondContact O-N 2.56Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L145-L148 HydrophobicContact CD2-CB 3.99Å; L145-L148 HydrophobicContact CD2-CD1 4.46Å; L145-L148 HydrophobicContact CD2-CD2 4.38Å; L145-L166 HydrophobicContact CD2-CD1 4.42Å; L145-L166 HydrophobicContact CD2-CD2 4.49Å; L145-L168 CarbonylContact O-C 3.14Å; L145-L169 HydrophobicContact CB-CD1 4.42Å; L145-L169 HydrophobicContact CD2-CD1 3.96Å; L145-L169 HydrophobicContact CG-CD1 3.97Å; L145-L169 VanDerWaalsContact O-CA 3.28Å; L145-L169 WeakPolarHBondContact O-CA 3.29Å; L145-L169 PolarHBondContact O-N 3.05Å; L145-L169 VanDerWaalsContact O-N 3.11Å
146R98.6Very high97.2Very high104 Ų10435 Ų3539%0.39220%0.197SC..  trans-113.9-34.5179.3-67.4179.2177.2173.4-2.3112Q122 A144 R170 S171Q122-R146 PolarHBondContact O-N 2.98Å; A144-R146 PolarHBondContact O-N 3.12Å; R146-R170 PolarHBondContact O-N 3.28Å; R146-S171 PolarHBondContact O-N 3.39Å
147N98.8Very high97.1Very high68 Ų6833.5 Ų33.536%0.36419%0.189SC..EExtended strand (participates in β ladder)trans-130.2122.1-176.1-6768.7000109.3Q122 L123 L124 S171Q122-N147 PolarHBondContact O-N 3.14Å; L123-N147 HydrophobicContact CB-CB 4.46Å; L123-N147 HydrophobicContact CG-CB 4.08Å; L124-N147 PolarHBondContact N-O 3.35Å; N147-S171 WeakPolarHBondContact CA-O 3.2Å; N147-S171 WeakPolarHBondContact ND2-CB 3.39Å
148L98.7Very high97.2Very high4 Ų432.7 Ų32.72%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-126119.6174.5177.756.4000109.2L124 F139 L145 L150 L163 L169 S171 L172 S173L124-L148 HydrophobicContact CB-CD1 4.1Å; L124-L148 HydrophobicContact CD2-CD1 3.94Å; L124-L148 HydrophobicContact CG-CD1 3.98Å; L124-L148 WeakPolarHBondContact O-CA 3.44Å; F139-L148 HydrophobicContact CD2-CD2 4.29Å; F139-L148 HydrophobicContact CE1-CD1 4.26Å; F139-L148 HydrophobicContact CE2-CD2 4.24Å; F139-L148 HydrophobicContact CG-CD2 4.47Å; F139-L148 HydrophobicContact CZ-CD1 4.44Å; F139-L148 HydrophobicContact CZ-CD2 4.43Å; L145-L148 HydrophobicContact CD2-CB 3.99Å; L145-L148 HydrophobicContact CD2-CD1 4.46Å; L145-L148 HydrophobicContact CD2-CD2 4.38Å; L148-L150 HydrophobicContact CD1-CG 4.3Å; L148-L150 HydrophobicContact CD2-CD1 4.19Å; L148-L150 HydrophobicContact CG-CD1 4.38Å; L148-L150 HydrophobicContact CG-CG 4.24Å; L148-L163 HydrophobicContact CD2-CD2 4.02Å; L148-L169 HydrophobicContact CB-CD1 3.8Å; L148-S171 PolarHBondContact N-O 2.95Å; L148-L172 HydrophobicContact CB-CD1 4.05Å; L148-L172 HydrophobicContact CD2-CD1 3.96Å; L148-L172 HydrophobicContact CG-CD1 3.95Å; L148-L172 WeakPolarHBondContact O-CA 3.15Å; L148-S173 PolarHBondContact O-N 3.03Å
149S98.7Very high97.1Very high22 Ų2237.6 Ų37.615%0.15420%0.203CC..EExtended strand (participates in β ladder)trans-108.1120.7171.6-170.80000110.2L124 D125 L126L124-S149 PolarHBondContact O-N 2.97Å; D125-S149 WeakPolarHBondContact OD1-CB 3.31Å; L126-S149 CarbonylContact C-O 3.5Å; L126-S149 WeakPolarHBondContact CA-O 3.3Å; L126-S149 WeakPolarHBondContact CB-O 3.31Å; L126-S149 PolarHBondContact N-O 2.94Å
150L98.6Very high96.9Very high0 Ų038.8 Ų38.80%021%0.21CC..  trans-117.716.8169.8-67.5166.7000110.6L126 L131 L134 F139 L148 N153 L155 S173 L174 N177L126-L150 HydrophobicContact CB-CD2 4.03Å; L126-L150 HydrophobicContact CD1-CD2 3.93Å; L131-L150 HydrophobicContact CD1-CD2 4.4Å; L134-L150 HydrophobicContact CD1-CD1 3.94Å; L134-L150 HydrophobicContact CD1-CD2 4.33Å; F139-L150 HydrophobicContact CE2-CD1 4.39Å; F139-L150 HydrophobicContact CZ-CD2 4.11Å; L148-L150 HydrophobicContact CD1-CG 4.3Å; L148-L150 HydrophobicContact CD2-CD1 4.19Å; L148-L150 HydrophobicContact CG-CD1 4.38Å; L148-L150 HydrophobicContact CG-CG 4.24Å; L150-N153 PolarHBondContact O-ND2 2.6Å; L150-L155 HydrophobicContact CB-CD1 4.1Å; L150-L155 HydrophobicContact CD1-CD1 4.18Å; L150-S173 CarbonylContact C-O 3.55Å; L150-S173 WeakPolarHBondContact CA-O 3.37Å; L150-S173 PolarHBondContact N-O 2.86Å; L150-L174 HydrophobicContact CB-CD2 4.11Å; L150-L174 HydrophobicContact CD1-CD2 3.98Å; L150-N177 PolarHBondContact O-ND2 3.29Å
151A98.6Very high96.8Very high7 Ų739.9 Ų39.96%0.05822%0.22CC..  trans-56.2147-178.100000112.8S127 A128 N153 S173 Q175S127-A151 CarbonylContact C-O 3.5Å; S127-A151 WeakPolarHBondContact CA-O 3.45Å; S127-A151 VanDerWaalsContact CB-O 3.32Å; S127-A151 WeakPolarHBondContact CB-O 3.5Å; A128-A151 PolarHBondContact N-O 3.03Å; A151-N153 PolarHBondContact O-N 2.65Å; A151-N153 PolarHBondContact O-ND2 3.01Å; A151-S173 PolarHBondContact N-O 3.15Å; A151-Q175 CarbonylContact C-O 3.22Å; A151-Q175 VanDerWaalsContact CA-O 3.23Å; A151-Q175 WeakPolarHBondContact CA-O 3.39Å; A151-Q175 HydrophobicContact CB-CG 3.4Å
152G98.5Very high96.7Very high28 Ų2838.7 Ų38.729%0.28921%0.212SC..SBendtrans62.243173.600000112.9A128 N129 Q175 D176A128-G152 CarbonylContact C-O 3.59Å; A128-G152 WeakPolarHBondContact CA-O 3.47Å; A128-G152 PolarHBondContact N-O 2.8Å; N129-G152 PolarHBondContact N-O 2.9Å; N129-G152 VanDerWaalsContact N-O 3.14Å; N129-G152 VanDerWaalsContact O-O 3.13Å; G152-Q175 PolarHBondContact N-O 2.96Å; G152-D176 WeakPolarHBondContact CA-O 3.28Å; G152-D176 PolarHBondContact N-O 2.81Å
153N98.8Very high96.4Very high9 Ų938.7 Ų38.75%0.04821%0.212CC..SBendtrans-115.5-166171.7-82.1-80.1000108.8L126 N129 Q130 L131 L150 A151 L155 D176 N177L126-N153 PolarHBondContact O-ND2 2.98Å; N129-N153 WeakPolarHBondContact CA-OD1 3.37Å; N129-N153 WeakPolarHBondContact CB-OD1 3.41Å; N129-N153 PolarHBondContact O-OD1 3.06Å; Q130-N153 PolarHBondContact N-OD1 3.31Å; L131-N153 HydrophobicContact CB-CB 4.26Å; L131-N153 VanDerWaalsContact CB-OD1 3.31Å; L131-N153 WeakPolarHBondContact CB-OD1 3.47Å; L131-N153 WeakPolarHBondContact CG-OD1 3.31Å; L131-N153 PolarHBondContact N-OD1 3.41Å; L150-N153 PolarHBondContact O-ND2 2.6Å; A151-N153 PolarHBondContact O-N 2.65Å; A151-N153 PolarHBondContact O-ND2 3.01Å; N153-L155 HydrophobicContact CB-CG 4.25Å; N153-D176 PolarHBondContact N-O 3.42Å; N153-N177 WeakPolarHBondContact CA-OD1 3.15Å; N153-N177 WeakPolarHBondContact CB-OD1 3.4Å; N153-N177 PolarHBondContact O-OD1 3.14Å
154R98.3Very high96.1Very high91 Ų9132.4 Ų32.434%0.34319%0.194SC..  trans-120.233.9-179.9-56.5-177.8-148.51674.4111.3L131 E132 A156 N177L131-R154 CarbonylContact O-C 3.11Å; L131-R154 VanDerWaalsContact O-C 3.23Å; L131-R154 WeakPolarHBondContact O-CA 3.43Å; L131-R154 PolarHBondContact O-N 3.07Å; E132-R154 WeakPolarHBondContact CA-O 3.35Å; E132-R154 HydrophobicContact CG-CB 3.96Å; E132-R154 IonicContact OE1-NH1 3.8Å; R154-A156 PolarHBondContact O-N 3.28Å; R154-A156 VanDerWaalsContact O-N 3.12Å; R154-N177 PolarHBondContact N-OD1 3.14Å
155L98.2Very high95.6Very high0 Ų033.4 Ų33.40%020%0.202CC..  trans-71111.2-175.4-62.9172.5000109.6L131 L134 L150 N153 N177 E178 L179L131-L155 HydrophobicContact CB-CD2 4.24Å; L131-L155 WeakPolarHBondContact O-CD2 3.38Å; L131-L155 PolarHBondContact O-N 2.78Å; L134-L155 HydrophobicContact CD1-CD1 4.19Å; L134-L155 HydrophobicContact CD1-CD2 4.17Å; L134-L155 HydrophobicContact CG-CD2 4.2Å; L150-L155 HydrophobicContact CB-CD1 4.1Å; L150-L155 HydrophobicContact CD1-CD1 4.18Å; N153-L155 HydrophobicContact CB-CG 4.25Å; L155-N177 HydrophobicContact CB-CB 4.38Å; L155-N177 VanDerWaalsContact CB-OD1 3.28Å; L155-N177 WeakPolarHBondContact CB-OD1 3.35Å; L155-N177 WeakPolarHBondContact CG-OD1 3.11Å; L155-N177 PolarHBondContact N-OD1 3.41Å; L155-E178 CarbonylContact O-C 3.56Å; L155-E178 WeakPolarHBondContact O-CA 3.49Å; L155-E178 PolarHBondContact O-N 3.35Å; L155-L179 HydrophobicContact CB-CD2 4.31Å; L155-L179 WeakPolarHBondContact O-CD2 3.21Å; L155-L179 WeakPolarHBondContact O-CG 3.29Å; L155-L179 PolarHBondContact O-N 3.15Å
156A96.5Very high95.4Very high56 Ų5633.4 Ų33.446%0.46320%0.202SC..SBendtrans-82.1-24.3174.300000112.7R154 E178R154-A156 PolarHBondContact O-N 3.28Å; R154-A156 VanDerWaalsContact O-N 3.12Å; A156-E178 HydrophobicContact CB-CB 4.49Å
157S94.8Very high95.3Very high63 Ų6331.3 Ų31.344%0.44120%0.202SC..  trans-147.7152.4176.863.60000111.3
158L95.4Very high95.2Very high3 Ų332.1 Ų32.12%0.01621%0.206CC..  trans-136.4101.9173.8-176.962000110L134 A162 L163 L174 L179 A183 L186L134-L158 HydrophobicContact CD1-CD1 3.79Å; L158-A162 HydrophobicContact CD1-CB 4.28Å; L158-L163 HydrophobicContact CD1-CD2 4.21Å; L158-L163 HydrophobicContact CD1-CG 4.29Å; L158-L163 HydrophobicContact CD2-CD1 4.25Å; L158-L163 HydrophobicContact CD2-CD2 4.4Å; L158-L163 HydrophobicContact CD2-CG 4.41Å; L158-L163 HydrophobicContact CG-CG 4.45Å; L158-L174 HydrophobicContact CD2-CD1 3.88Å; L158-L174 HydrophobicContact CD2-CD2 3.6Å; L158-L174 HydrophobicContact CD2-CG 4.41Å; L158-L179 HydrophobicContact CB-CD2 4.22Å; L158-A183 WeakPolarHBondContact O-CB 3.26Å; L158-L186 HydrophobicContact CB-CD2 4.48Å; L158-L186 HydrophobicContact CD2-CD1 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.06Å; L158-L186 HydrophobicContact CG-CD1 4.09Å; L158-L186 HydrophobicContact CG-CD2 4.22Å
159E92.8Very high95.2Very high104 Ų10432 Ų3249%0.48621%0.205SC..  trans-81147.1-178.2-71.9-59.4143.900112.3A161 A162E159-A161 PolarHBondContact O-N 3.29Å; E159-A161 VanDerWaalsContact O-N 3.12Å; E159-A162 WeakPolarHBondContact O-CB 3.45Å; E159-A162 PolarHBondContact O-N 3.32Å
160P93Very high95.1Very high24 Ų2437.3 Ų37.316%0.15622%0.222CC..Hα-helixtrans-58.1-31.2177.3-19.731.7000112.3A162 G164 A183 P184 L186 R189P160-A162 VanDerWaalsContact C-N 3.3Å; P160-A162 PolarHBondContact O-N 3.49Å; P160-G164 PolarHBondContact O-N 2.82Å; P160-A183 HydrophobicContact CG-CB 4.34Å; P160-P184 WeakPolarHBondContact CG-O 3.44Å; P160-L186 HydrophobicContact CG-CB 4.25Å; P160-R189 HydrophobicContact CB-CG 4.25Å
161A92.6Very high95.1Very high55 Ų5538.4 Ų38.446%0.45523%0.229SC..Hα-helixtrans-65.4-31.3177.400000112.5P136 G137 E159 G164P136-A161 CarbonylContact C-O 3.25Å; P136-A161 WeakPolarHBondContact CA-O 3.26Å; P136-A161 HydrophobicContact CB-CB 4.04Å; P136-A161 HydrophobicContact CG-CB 4.45Å; G137-A161 PolarHBondContact N-O 2.91Å; E159-A161 PolarHBondContact O-N 3.29Å; E159-A161 VanDerWaalsContact O-N 3.12Å; A161-G164 PolarHBondContact O-N 2.99Å
162A91.6Very high95.1Very high2 Ų238 Ų382%0.01723%0.226CC..Hα-helixtrans-68.9-43.6-179.600000112.3L134 T138 L158 E159 P160L134-A162 HydrophobicContact CB-CB 3.91Å; T138-A162 PolarHBondContact N-O 3.29Å; L158-A162 HydrophobicContact CD1-CB 4.28Å; E159-A162 WeakPolarHBondContact O-CB 3.45Å; E159-A162 PolarHBondContact O-N 3.32Å; P160-A162 VanDerWaalsContact C-N 3.3Å; P160-A162 PolarHBondContact O-N 3.49Å
163L90.9Very high95.1Very high0 Ų037.3 Ų37.30%022%0.217CC..Hα-helixtrans-70.8-36173.3-63.5-172.6000112.1F139 L148 L158 L166 L172 L186 L190F139-L163 HydrophobicContact CD2-CD2 3.71Å; F139-L163 HydrophobicContact CE2-CD2 4.02Å; L148-L163 HydrophobicContact CD2-CD2 4.02Å; L158-L163 HydrophobicContact CD1-CD2 4.21Å; L158-L163 HydrophobicContact CD1-CG 4.29Å; L158-L163 HydrophobicContact CD2-CD1 4.25Å; L158-L163 HydrophobicContact CD2-CD2 4.4Å; L158-L163 HydrophobicContact CD2-CG 4.41Å; L158-L163 HydrophobicContact CG-CG 4.45Å; L163-L166 HydrophobicContact CB-CD1 4.27Å; L163-L166 HydrophobicContact CD2-CD1 4.5Å; L163-L172 HydrophobicContact CD1-CD2 4.32Å; L163-L186 HydrophobicContact CD1-CD1 3.51Å; L163-L186 HydrophobicContact CD1-CG 4.26Å; L163-L186 HydrophobicContact CG-CD1 4.03Å; L163-L190 HydrophobicContact CD1-CD1 3.96Å; L163-L190 HydrophobicContact CD1-CD2 4.28Å
164G87.8Confident95Very high17 Ų1736.9 Ų36.918%0.17521%0.214CC..  trans68.3-149-169.200000111.2P160 A161P160-G164 PolarHBondContact O-N 2.82Å; A161-G164 PolarHBondContact O-N 2.99Å
165A87.5Confident94.9Very high44 Ų4435.7 Ų35.736%0.36421%0.213SC..  trans-99.7111.9175.200000110P167A165-P167 VanDerWaalsContact O-CD 3.28Å; A165-P167 WeakPolarHBondContact O-CD 3.32Å
166L95.7Very high94.9Very high1 Ų139.2 Ų39.21%0.00523%0.232CC..  trans-11481176.4-60.6172.2000108.9F139 L142 L145 L163 L168 L169 L190F139-L166 HydrophobicContact CB-CD1 4.35Å; F139-L166 HydrophobicContact CB-CD2 4.33Å; L142-L166 HydrophobicContact CB-CD2 4.41Å; L145-L166 HydrophobicContact CD2-CD1 4.42Å; L145-L166 HydrophobicContact CD2-CD2 4.49Å; L163-L166 HydrophobicContact CB-CD1 4.27Å; L163-L166 HydrophobicContact CD2-CD1 4.5Å; L166-L168 PolarHBondContact O-N 2.94Å; L166-L169 HydrophobicContact CB-CB 3.85Å; L166-L169 HydrophobicContact CD1-CD2 4.04Å; L166-L169 PolarHBondContact O-N 3.28Å; L166-L190 HydrophobicContact CB-CD2 3.83Å; L166-L190 HydrophobicContact CD1-CD2 4.28Å; L166-L190 HydrophobicContact CG-CD2 4.47Å
167P95Very high95Very high59 Ų5936.9 Ų36.938%0.38321%0.211SC..THydrogen-bonded Turntrans-69.1-19.1-168.227.9-35.9000114A165 A192A165-P167 VanDerWaalsContact O-CD 3.28Å; A165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-A192 VanDerWaalsContact O-CB 3.27Å; P167-A192 WeakPolarHBondContact O-CB 3.44Å
168L97.7Very high95.1Very high86 Ų8638.9 Ų38.945%0.4521%0.214SC..THydrogen-bonded Turntrans-109.13.3-176.9-61.6179.7000113.2L145 L166 R170L145-L168 CarbonylContact O-C 3.14Å; L166-L168 PolarHBondContact O-N 2.94Å; L168-R170 PolarHBondContact O-N 3.02Å
169L98.3Very high95.2Very high0 Ų038.7 Ų38.70%021%0.213CC..  trans-69.4118.2-177.8-167.277.8000109.6L145 L148 L166 L172 L190 A192 L193L145-L169 HydrophobicContact CB-CD1 4.42Å; L145-L169 HydrophobicContact CD2-CD1 3.96Å; L145-L169 HydrophobicContact CG-CD1 3.97Å; L145-L169 VanDerWaalsContact O-CA 3.28Å; L145-L169 WeakPolarHBondContact O-CA 3.29Å; L145-L169 PolarHBondContact O-N 3.05Å; L145-L169 VanDerWaalsContact O-N 3.11Å; L148-L169 HydrophobicContact CB-CD1 3.8Å; L166-L169 HydrophobicContact CB-CB 3.85Å; L166-L169 HydrophobicContact CD1-CD2 4.04Å; L166-L169 PolarHBondContact O-N 3.28Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L169-L190 HydrophobicContact CB-CD2 4.39Å; L169-L190 HydrophobicContact CD2-CD1 4.22Å; L169-L190 HydrophobicContact CD2-CD2 3.82Å; L169-A192 CarbonylContact O-C 3.1Å; L169-A192 VanDerWaalsContact O-O 3.08Å; L169-L193 HydrophobicContact CD2-CD1 4.25Å; L169-L193 HydrophobicContact CG-CD1 4.39Å; L169-L193 VanDerWaalsContact O-CA 3.25Å; L169-L193 WeakPolarHBondContact O-CA 3.36Å; L169-L193 PolarHBondContact O-N 3.47Å
170R97.7Very high95.3Very high134 Ų13435.3 Ų35.351%0.50620%0.203SC..  trans-102.8-32.1-179.7-65.9-170.4178.7-177.6-5.4113.1R146 L168 A192 D194 A195R146-R170 PolarHBondContact O-N 3.28Å; L168-R170 PolarHBondContact O-N 3.02Å; R170-A192 WeakPolarHBondContact CA-O 3.48Å; R170-D194 PolarHBondContact O-N 3.33Å; R170-A195 PolarHBondContact O-N 2.94Å
171S97.9Very high95.3Very high23 Ų2335.5 Ų35.516%0.16121%0.206CC..EExtended strand (participates in β ladder)trans-131.1126-177.5-170.60000110.9R146 N147 L148 A195R146-S171 PolarHBondContact O-N 3.39Å; N147-S171 WeakPolarHBondContact CA-O 3.2Å; N147-S171 WeakPolarHBondContact ND2-CB 3.39Å; L148-S171 PolarHBondContact N-O 2.95Å; S171-A195 WeakPolarHBondContact CA-O 3.43Å
172L97.9Very high95.4Very high0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-125.2123.1173.8178.758.2000109.1L148 L163 L169 L174 L190 L193 A195 L196 H197L148-L172 HydrophobicContact CB-CD1 4.05Å; L148-L172 HydrophobicContact CD2-CD1 3.96Å; L148-L172 HydrophobicContact CG-CD1 3.95Å; L148-L172 WeakPolarHBondContact O-CA 3.15Å; L163-L172 HydrophobicContact CD1-CD2 4.32Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L172-L174 HydrophobicContact CD1-CD2 4.12Å; L172-L174 HydrophobicContact CD1-CG 4.33Å; L172-L174 HydrophobicContact CD2-CD1 4.05Å; L172-L174 HydrophobicContact CD2-CG 4.23Å; L172-L174 HydrophobicContact CG-CD1 4.34Å; L172-L174 HydrophobicContact CG-CD2 4.31Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L172-L190 HydrophobicContact CD2-CD1 3.95Å; L172-L193 HydrophobicContact CB-CD1 3.76Å; L172-A195 PolarHBondContact N-O 3.09Å; L172-L196 HydrophobicContact CB-CD1 3.96Å; L172-L196 HydrophobicContact CD2-CD1 3.99Å; L172-L196 HydrophobicContact CG-CD1 4Å; L172-L196 WeakPolarHBondContact O-CA 2.96Å; L172-H197 PolarHBondContact O-N 2.89Å
173S98.1Very high95.4Very high12 Ų1233.8 Ų33.88%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-107.6121.1170.9-171.70000110.6L148 L150 A151 Q175L148-S173 PolarHBondContact O-N 3.03Å; L150-S173 CarbonylContact C-O 3.55Å; L150-S173 WeakPolarHBondContact CA-O 3.37Å; L150-S173 PolarHBondContact N-O 2.86Å; A151-S173 PolarHBondContact N-O 3.15Å; S173-Q175 WeakPolarHBondContact OG-CG 3.39Å; S173-Q175 PolarHBondContact OG-OE1 2.95Å
174L97.8Very high95.2Very high0 Ų038.6 Ų38.60%022%0.222CC..  trans-121.213.4175.2-60.4173.1000111.2L150 L158 L172 N177 L179 L182 L196 H197 L198 N201L150-L174 HydrophobicContact CB-CD2 4.11Å; L150-L174 HydrophobicContact CD1-CD2 3.98Å; L158-L174 HydrophobicContact CD2-CD1 3.88Å; L158-L174 HydrophobicContact CD2-CD2 3.6Å; L158-L174 HydrophobicContact CD2-CG 4.41Å; L172-L174 HydrophobicContact CD1-CD2 4.12Å; L172-L174 HydrophobicContact CD1-CG 4.33Å; L172-L174 HydrophobicContact CD2-CD1 4.05Å; L172-L174 HydrophobicContact CD2-CG 4.23Å; L172-L174 HydrophobicContact CG-CD1 4.34Å; L172-L174 HydrophobicContact CG-CD2 4.31Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L174-N177 PolarHBondContact O-ND2 3.4Å; L174-N177 VanDerWaalsContact O-ND2 3.15Å; L174-L179 HydrophobicContact CB-CD1 3.82Å; L174-L179 HydrophobicContact CD1-CD1 3.92Å; L174-L179 HydrophobicContact CD2-CD1 4.44Å; L174-L179 HydrophobicContact CG-CD1 4.27Å; L174-L182 HydrophobicContact CD1-CD2 3.86Å; L174-L196 HydrophobicContact CD1-CD1 4.37Å; L174-H197 CarbonylContact C-O 3.17Å; L174-H197 PolarHBondContact N-O 3.36Å; L174-L198 HydrophobicContact CB-CD2 4.19Å; L174-L198 HydrophobicContact CD1-CD2 4.12Å; L174-N201 PolarHBondContact O-ND2 2.69Å
175Q96.7Very high95.3Very high66 Ų6639.9 Ų39.931%0.30824%0.236SC..  trans-59.6155.3-177.668.4-169.152.100111.9A151 G152 S173 N177 H197 R199A151-Q175 CarbonylContact C-O 3.22Å; A151-Q175 VanDerWaalsContact CA-O 3.23Å; A151-Q175 WeakPolarHBondContact CA-O 3.39Å; A151-Q175 HydrophobicContact CB-CG 3.4Å; G152-Q175 PolarHBondContact N-O 2.96Å; S173-Q175 WeakPolarHBondContact OG-CG 3.39Å; S173-Q175 PolarHBondContact OG-OE1 2.95Å; Q175-N177 PolarHBondContact O-N 3.14Å; Q175-N177 PolarHBondContact O-ND2 2.96Å; Q175-H197 PolarHBondContact N-O 2.97Å; Q175-R199 CarbonylContact C-O 3.49Å; Q175-R199 WeakPolarHBondContact CA-O 3.17Å; Q175-R199 HydrophobicContact CB-CB 4.47Å; Q175-R199 WeakPolarHBondContact CB-O 3.49Å
176D97.6Very high95.5Very high74 Ų7437.9 Ų37.940%0.39622%0.219SC..SBendtrans51.854.5174.5-50.4-51000111.4G152 N153 R199 G200G152-D176 WeakPolarHBondContact CA-O 3.28Å; G152-D176 PolarHBondContact N-O 2.81Å; N153-D176 PolarHBondContact N-O 3.42Å; D176-R199 PolarHBondContact N-O 3.24Å; D176-G200 WeakPolarHBondContact CA-O 3.43Å
177N98.6Very high95.4Very high7 Ų738.9 Ų38.94%0.03722%0.224CC..SBendtrans-126.5-172174.1-86.6-86.3000108.9L150 N153 R154 L155 L174 Q175 L179 N201L150-N177 PolarHBondContact O-ND2 3.29Å; N153-N177 WeakPolarHBondContact CA-OD1 3.15Å; N153-N177 WeakPolarHBondContact CB-OD1 3.4Å; N153-N177 PolarHBondContact O-OD1 3.14Å; R154-N177 PolarHBondContact N-OD1 3.14Å; L155-N177 HydrophobicContact CB-CB 4.38Å; L155-N177 VanDerWaalsContact CB-OD1 3.28Å; L155-N177 WeakPolarHBondContact CB-OD1 3.35Å; L155-N177 WeakPolarHBondContact CG-OD1 3.11Å; L155-N177 PolarHBondContact N-OD1 3.41Å; L174-N177 PolarHBondContact O-ND2 3.4Å; L174-N177 VanDerWaalsContact O-ND2 3.15Å; Q175-N177 PolarHBondContact O-N 3.14Å; Q175-N177 PolarHBondContact O-ND2 2.96Å; N177-L179 HydrophobicContact CB-CD1 4.46Å; N177-L179 HydrophobicContact CB-CG 4.22Å; N177-N201 WeakPolarHBondContact CA-OD1 3Å; N177-N201 WeakPolarHBondContact CB-OD1 3.49Å; N177-N201 PolarHBondContact N-OD1 3.43Å; N177-N201 PolarHBondContact O-OD1 3.43Å; N177-N201 VanDerWaalsContact O-OD1 3.12Å
178E97.8Very high95.1Very high105 Ų10539.2 Ų39.249%0.49124%0.238SC..  trans-10625.5-178.9-61.5179.2-165.500111.5L155 A156 A180L155-E178 CarbonylContact O-C 3.56Å; L155-E178 WeakPolarHBondContact O-CA 3.49Å; L155-E178 PolarHBondContact O-N 3.35Å; A156-E178 HydrophobicContact CB-CB 4.49Å; E178-A180 PolarHBondContact O-N 3.06Å
179L96.5Very high94.7Very high0 Ų042.3 Ų42.30%024%0.244CC..  trans-72.7116.4-174.4-62.9169000111.3L155 L158 L174 N177 L182 N201 P202 W203L155-L179 HydrophobicContact CB-CD2 4.31Å; L155-L179 WeakPolarHBondContact O-CD2 3.21Å; L155-L179 WeakPolarHBondContact O-CG 3.29Å; L155-L179 PolarHBondContact O-N 3.15Å; L158-L179 HydrophobicContact CB-CD2 4.22Å; L174-L179 HydrophobicContact CB-CD1 3.82Å; L174-L179 HydrophobicContact CD1-CD1 3.92Å; L174-L179 HydrophobicContact CD2-CD1 4.44Å; L174-L179 HydrophobicContact CG-CD1 4.27Å; N177-L179 HydrophobicContact CB-CD1 4.46Å; N177-L179 HydrophobicContact CB-CG 4.22Å; L179-L182 HydrophobicContact CD1-CD2 4.19Å; L179-N201 HydrophobicContact CB-CB 4.29Å; L179-N201 VanDerWaalsContact CB-OD1 3.24Å; L179-N201 WeakPolarHBondContact CB-OD1 3.27Å; L179-N201 PolarHBondContact N-OD1 3.11Å; L179-N201 WeakPolarHBondContact O-CB 3.04Å; L179-P202 WeakPolarHBondContact O-CD 3.32Å; L179-W203 HydrophobicContact CB-CH2 3.97Å; L179-W203 HydrophobicContact CB-CZ3 4.23Å; L179-W203 HydrophobicContact CD1-CH2 4.42Å
180A94.4Very high94.5Very high33 Ų3342.5 Ų42.527%0.27325%0.245SC..SBendtrans-81.9-34.2176.800000111.5E178 G204 W233E178-A180 PolarHBondContact O-N 3.06Å; A180-G204 PolarHBondContact O-N 3.25Å; A180-W233 HydrophobicContact CB-CH2 3.29Å; A180-W233 HydrophobicContact CB-CZ2 4.48Å; A180-W233 HydrophobicContact CB-CZ3 3.6Å; A180-W233 WeakPolarHBondContact O-CH2 3.49Å
181A93.3Very high94.3Very high27 Ų2741.1 Ų41.122%0.22325%0.253CS..SBendtrans-158.1162175.500000109.6A208A181-A208 HydrophobicContact CB-CB 3.78Å
182L93.9Very high94.2Very high8 Ų841.5 Ų41.54%0.04226%0.258CS..PPolyproline II helixtrans-89135.2167.5-63-176.1000109.7L174 L179 L186 L187 L196 L198 W203 L212L174-L182 HydrophobicContact CD1-CD2 3.86Å; L179-L182 HydrophobicContact CD1-CD2 4.19Å; L182-L186 HydrophobicContact CB-CD2 4.13Å; L182-L186 HydrophobicContact CD1-CD2 4.44Å; L182-L186 HydrophobicContact CD2-CD2 3.91Å; L182-L186 HydrophobicContact CG-CD2 4.38Å; L182-L187 HydrophobicContact CD1-CD1 4.23Å; L182-L187 HydrophobicContact CD1-CD2 4.19Å; L182-L187 HydrophobicContact CD1-CG 4.33Å; L182-L196 HydrophobicContact CD1-CD2 4.3Å; L182-L198 HydrophobicContact CD1-CD2 4.38Å; L182-W203 HydrophobicContact CD2-CH2 3.89Å; L182-W203 HydrophobicContact CD2-CZ3 4.25Å; L182-W203 HydrophobicContact CG-CH2 3.99Å; L182-W203 HydrophobicContact CG-CZ3 4.04Å; L182-L212 HydrophobicContact CD1-CD1 3.98Å; L182-L212 HydrophobicContact CD1-CD2 4.29Å; L182-L212 HydrophobicContact CD1-CG 4.49Å; L182-L212 HydrophobicContact CG-CD2 4.47Å
183A92.3Very high94.2Very high13 Ų1341.7 Ų41.711%0.10726%0.259CS..PPolyproline II helixtrans-60141.6179.900000111.5L158 P160 G185 L186L158-A183 WeakPolarHBondContact O-CB 3.26Å; P160-A183 HydrophobicContact CG-CB 4.34Å; A183-G185 PolarHBondContact O-N 3.06Å; A183-L186 WeakPolarHBondContact O-CB 3.23Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-L186 VanDerWaalsContact O-N 3.12Å
184P87.2Confident93.9Very high101 Ų10145.9 Ų45.966%0.65628%0.28SS*.THydrogen-bonded Turntrans-54.6133.4176.2-24.933.8000111.8P160 L186P160-P184 WeakPolarHBondContact CG-O 3.44Å; P184-L186 VanDerWaalsContact C-N 3.26Å; P184-L186 PolarHBondContact O-N 3.47Å
185G88.6Confident93.8Very high45 Ų4547.5 Ų47.546%0.46429%0.293SS..THydrogen-bonded Turntrans79.6-3.7179.200000115.5A183 G188 R189A183-G185 PolarHBondContact O-N 3.06Å; G185-G188 PolarHBondContact O-N 2.88Å; G185-G188 VanDerWaalsContact O-N 3.14Å; G185-R189 PolarHBondContact O-N 3.02Å
186L93.3Very high93.7Very high2 Ų244.4 Ų44.41%0.0128%0.279CS..THydrogen-bonded Turntrans-55.5-55.4175.3-178.972.4000110.9L158 P160 L163 L182 A183 P184 G188 R189L158-L186 HydrophobicContact CB-CD2 4.48Å; L158-L186 HydrophobicContact CD2-CD1 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.06Å; L158-L186 HydrophobicContact CG-CD1 4.09Å; L158-L186 HydrophobicContact CG-CD2 4.22Å; P160-L186 HydrophobicContact CG-CB 4.25Å; L163-L186 HydrophobicContact CD1-CD1 3.51Å; L163-L186 HydrophobicContact CD1-CG 4.26Å; L163-L186 HydrophobicContact CG-CD1 4.03Å; L182-L186 HydrophobicContact CB-CD2 4.13Å; L182-L186 HydrophobicContact CD1-CD2 4.44Å; L182-L186 HydrophobicContact CD2-CD2 3.91Å; L182-L186 HydrophobicContact CG-CD2 4.38Å; A183-L186 WeakPolarHBondContact O-CB 3.23Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-L186 VanDerWaalsContact O-N 3.12Å; P184-L186 VanDerWaalsContact C-N 3.26Å; P184-L186 PolarHBondContact O-N 3.47Å; L186-G188 PolarHBondContact O-N 3.46Å; L186-R189 PolarHBondContact O-N 3.43Å; L186-R189 VanDerWaalsContact O-N 3.1Å
187L92.3Very high93.6Very high22 Ų2243.3 Ų43.312%0.11527%0.272CS..G310 helixtrans-66.2-25.3178.7-58.6176.7000112.3L182 R189 L190 L193 L196 L212 W215L182-L187 HydrophobicContact CD1-CD1 4.23Å; L182-L187 HydrophobicContact CD1-CD2 4.19Å; L182-L187 HydrophobicContact CD1-CG 4.33Å; L187-R189 PolarHBondContact O-N 3.39Å; L187-L190 PolarHBondContact O-N 3Å; L187-L193 HydrophobicContact CD2-CD2 4.04Å; L187-L196 HydrophobicContact CD2-CD2 3.81Å; L187-L212 HydrophobicContact CD1-CD1 4.38Å; L187-W215 HydrophobicContact CD1-CB 3.61Å; L187-W215 HydrophobicContact CD1-CD2 4.41Å; L187-W215 HydrophobicContact CD1-CG 3.73Å
188G88.9Confident93.4Very high66 Ų6643.1 Ų43.168%0.6827%0.271SS*.G310 helixtrans-68.4-17.4174.700000113.9G185 L186G185-G188 PolarHBondContact O-N 2.88Å; G185-G188 VanDerWaalsContact O-N 3.14Å; L186-G188 PolarHBondContact O-N 3.46Å
189R90.3Very high93.3Very high150 Ų15045 Ų4557%0.56627%0.273SS*.G310 helixtrans-90-1.5175.1-64-64.7-173.81760.6113.7P160 G185 L186 L187 P191P160-R189 HydrophobicContact CB-CG 4.25Å; G185-R189 PolarHBondContact O-N 3.02Å; L186-R189 PolarHBondContact O-N 3.43Å; L186-R189 VanDerWaalsContact O-N 3.1Å; L187-R189 PolarHBondContact O-N 3.39Å; R189-P191 VanDerWaalsContact C-CD 3.46Å; R189-P191 VanDerWaalsContact O-CD 3.31Å; R189-P191 WeakPolarHBondContact O-CD 3.43Å
190L94.4Very high93.2Very high5 Ų547.1 Ų47.13%0.02629%0.294CS..  trans-121.368.9-175.6-54176.5000109.9L163 L166 L169 L172 L187 A192 L193L163-L190 HydrophobicContact CD1-CD1 3.96Å; L163-L190 HydrophobicContact CD1-CD2 4.28Å; L166-L190 HydrophobicContact CB-CD2 3.83Å; L166-L190 HydrophobicContact CD1-CD2 4.28Å; L166-L190 HydrophobicContact CG-CD2 4.47Å; L169-L190 HydrophobicContact CB-CD2 4.39Å; L169-L190 HydrophobicContact CD2-CD1 4.22Å; L169-L190 HydrophobicContact CD2-CD2 3.82Å; L172-L190 HydrophobicContact CD2-CD1 3.95Å; L187-L190 PolarHBondContact O-N 3Å; L190-A192 PolarHBondContact O-N 3.09Å; L190-L193 HydrophobicContact CB-CB 3.93Å; L190-L193 HydrophobicContact CB-CD2 4.38Å; L190-L193 HydrophobicContact CD1-CD2 4.04Å; L190-L193 WeakPolarHBondContact O-CB 3.43Å; L190-L193 PolarHBondContact O-N 2.9Å
191P93.3Very high93.3Very high105 Ų10546 Ų4668%0.68228%0.284SS*.THydrogen-bonded Turntrans-68.5-19.7-169.328.6-36.8000114.4R189R189-P191 VanDerWaalsContact C-CD 3.46Å; R189-P191 VanDerWaalsContact O-CD 3.31Å; R189-P191 WeakPolarHBondContact O-CD 3.43Å
192A95.9Very high93.4Very high31 Ų3147 Ų4726%0.25629%0.288SS..THydrogen-bonded Turntrans-105.814.7-179.100000113.1P167 L169 R170 L190 D194P167-A192 VanDerWaalsContact O-CB 3.27Å; P167-A192 WeakPolarHBondContact O-CB 3.44Å; L169-A192 CarbonylContact O-C 3.1Å; L169-A192 VanDerWaalsContact O-O 3.08Å; R170-A192 WeakPolarHBondContact CA-O 3.48Å; L190-A192 PolarHBondContact O-N 3.09Å; A192-D194 PolarHBondContact O-N 2.95Å
193L96.1Very high93.5Very high4 Ų446.7 Ų46.72%0.02129%0.287CS..  trans-75.2116.5-175.9-171.774.7000110.8L169 L172 L187 L190 L196 W215L169-L193 HydrophobicContact CD2-CD1 4.25Å; L169-L193 HydrophobicContact CG-CD1 4.39Å; L169-L193 VanDerWaalsContact O-CA 3.25Å; L169-L193 WeakPolarHBondContact O-CA 3.36Å; L169-L193 PolarHBondContact O-N 3.47Å; L172-L193 HydrophobicContact CB-CD1 3.76Å; L187-L193 HydrophobicContact CD2-CD2 4.04Å; L190-L193 HydrophobicContact CB-CB 3.93Å; L190-L193 HydrophobicContact CB-CD2 4.38Å; L190-L193 HydrophobicContact CD1-CD2 4.04Å; L190-L193 WeakPolarHBondContact O-CB 3.43Å; L190-L193 PolarHBondContact O-N 2.9Å; L193-L196 HydrophobicContact CD2-CB 4.31Å; L193-L196 HydrophobicContact CD2-CD1 4.33Å; L193-W215 HydrophobicContact CD2-CZ2 3.98Å; L193-W215 HydrophobicContact CG-CZ2 4.14Å
194D93.7Very high93.5Very high100 Ų10046.2 Ų46.254%0.53528%0.282SS..  trans-102.1-35.4-178.4-60-41.2000111.9R170 A192R170-D194 PolarHBondContact O-N 3.33Å; A192-D194 PolarHBondContact O-N 2.95Å
195A94.4Very high93.7Very high33 Ų3341.8 Ų41.827%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-127.9127.8-174.200000111.8R170 S171 L172R170-A195 PolarHBondContact O-N 2.94Å; S171-A195 WeakPolarHBondContact CA-O 3.43Å; L172-A195 PolarHBondContact N-O 3.09Å
196L95.2Very high93.7Very high2 Ų241.2 Ų41.21%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-134.3113.3-179.2-17761000110.3L172 L174 L182 L187 L193 L198 L212 W215L172-L196 HydrophobicContact CB-CD1 3.96Å; L172-L196 HydrophobicContact CD2-CD1 3.99Å; L172-L196 HydrophobicContact CG-CD1 4Å; L172-L196 WeakPolarHBondContact O-CA 2.96Å; L174-L196 HydrophobicContact CD1-CD1 4.37Å; L182-L196 HydrophobicContact CD1-CD2 4.3Å; L187-L196 HydrophobicContact CD2-CD2 3.81Å; L193-L196 HydrophobicContact CD2-CB 4.31Å; L193-L196 HydrophobicContact CD2-CD1 4.33Å; L196-L198 HydrophobicContact CD1-CD2 3.96Å; L196-L198 HydrophobicContact CD1-CG 4.42Å; L196-L198 HydrophobicContact CD2-CD1 3.8Å; L196-L198 HydrophobicContact CD2-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CG 4.17Å; L196-L198 HydrophobicContact CG-CD1 3.96Å; L196-L198 HydrophobicContact CG-CD2 3.84Å; L196-L198 HydrophobicContact CG-CG 3.79Å; L196-L212 HydrophobicContact CD2-CD1 4.14Å; L196-W215 HydrophobicContact CB-CE3 4.45Å; L196-W215 HydrophobicContact CB-CH2 3.46Å; L196-W215 VanDerWaalsContact CB-CH2 3.46Å; L196-W215 HydrophobicContact CB-CZ2 4.14Å; L196-W215 HydrophobicContact CB-CZ3 3.63Å; L196-W215 HydrophobicContact CD2-CD2 4.44Å; L196-W215 HydrophobicContact CD2-CE3 4.05Å; L196-W215 HydrophobicContact CD2-CH2 4.42Å; L196-W215 HydrophobicContact CD2-CZ3 4.05Å; L196-W215 HydrophobicContact CG-CZ3 4.46Å
197H95.3Very high93.4Very high51 Ų5144.4 Ų44.424%0.23627%0.27CS..EExtended strand (participates in β ladder)trans-101122.6-179-47.587.8000109.9L172 L174 Q175L172-H197 PolarHBondContact O-N 2.89Å; L174-H197 CarbonylContact C-O 3.17Å; L174-H197 PolarHBondContact N-O 3.36Å; Q175-H197 PolarHBondContact N-O 2.97Å
198L95.3Very high93.2Very high3 Ų345.7 Ų45.72%0.01628%0.284CS..  trans-131.3-0.3-166.5-66.2176.5000114.3L174 L182 L196 N201 W203 L212 L229L174-L198 HydrophobicContact CB-CD2 4.19Å; L174-L198 HydrophobicContact CD1-CD2 4.12Å; L182-L198 HydrophobicContact CD1-CD2 4.38Å; L196-L198 HydrophobicContact CD1-CD2 3.96Å; L196-L198 HydrophobicContact CD1-CG 4.42Å; L196-L198 HydrophobicContact CD2-CD1 3.8Å; L196-L198 HydrophobicContact CD2-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CG 4.17Å; L196-L198 HydrophobicContact CG-CD1 3.96Å; L196-L198 HydrophobicContact CG-CD2 3.84Å; L196-L198 HydrophobicContact CG-CG 3.79Å; L198-N201 PolarHBondContact O-ND2 3.13Å; L198-W203 HydrophobicContact CB-CZ2 3.64Å; L198-W203 HydrophobicContact CD1-CZ2 4.27Å; L198-W203 HydrophobicContact CD2-CH2 3.89Å; L198-W203 HydrophobicContact CD2-CZ2 3.69Å; L198-W203 HydrophobicContact CG-CZ2 4.05Å; L198-W203 PolarHBondContact O-NE1 3.5Å; L198-L212 HydrophobicContact CD1-CD1 3.44Å; L198-L212 VanDerWaalsContact CD1-CD1 3.44Å; L198-L212 HydrophobicContact CD1-CD2 3.83Å; L198-L212 HydrophobicContact CD1-CG 4.25Å; L198-L229 HydrophobicContact CB-CD2 3.64Å
199R94.3Very high93.2Very high145 Ų14542.6 Ų42.655%0.54725%0.252SS..THydrogen-bonded Turntrans-54.5151.3-178.9174.1177.7165.9143.72.2111.2Q175 D176 N201Q175-R199 CarbonylContact C-O 3.49Å; Q175-R199 WeakPolarHBondContact CA-O 3.17Å; Q175-R199 HydrophobicContact CB-CB 4.47Å; Q175-R199 WeakPolarHBondContact CB-O 3.49Å; D176-R199 PolarHBondContact N-O 3.24Å; R199-N201 VanDerWaalsContact C-N 3.31Å; R199-N201 PolarHBondContact O-N 3.04Å; R199-N201 PolarHBondContact O-ND2 3.32Å
200G94.7Very high93.1Very high43 Ų4341 Ų4144%0.44325%0.245SC..THydrogen-bonded Turntrans72.624.3170.800000114D176D176-G200 WeakPolarHBondContact CA-O 3.43Å
201N96.8Very high92.9Very high10 Ų1043.3 Ų43.35%0.05326%0.261CS..SBendtrans-111.6146.5171.6-77-83.6000110L174 N177 L179 L198 R199 W203L174-N201 PolarHBondContact O-ND2 2.69Å; N177-N201 WeakPolarHBondContact CA-OD1 3Å; N177-N201 WeakPolarHBondContact CB-OD1 3.49Å; N177-N201 PolarHBondContact N-OD1 3.43Å; N177-N201 PolarHBondContact O-OD1 3.43Å; N177-N201 VanDerWaalsContact O-OD1 3.12Å; L179-N201 HydrophobicContact CB-CB 4.29Å; L179-N201 VanDerWaalsContact CB-OD1 3.24Å; L179-N201 WeakPolarHBondContact CB-OD1 3.27Å; L179-N201 PolarHBondContact N-OD1 3.11Å; L179-N201 WeakPolarHBondContact O-CB 3.04Å; L198-N201 PolarHBondContact O-ND2 3.13Å; R199-N201 VanDerWaalsContact C-N 3.31Å; R199-N201 PolarHBondContact O-N 3.04Å; R199-N201 PolarHBondContact O-ND2 3.32Å; N201-W203 VanDerWaalsContact C-N 3.25Å; N201-W203 HydrophobicContact CB-CD2 4.2Å; N201-W203 HydrophobicContact CB-CH2 4.39Å; N201-W203 HydrophobicContact CB-CZ2 3.61Å; N201-W203 PolarHBondContact O-N 3.39Å
202P95.6Very high92.8Very high48 Ų4838.4 Ų38.431%0.31223%0.229SC..  trans-77.869.6-179.233.4-36.6000111L179 G204 V232 W233L179-P202 WeakPolarHBondContact O-CD 3.32Å; P202-G204 PolarHBondContact O-N 3.01Å; P202-V232 HydrophobicContact CB-CB 4.49Å; P202-V232 HydrophobicContact CB-CG2 4.33Å; P202-W233 WeakPolarHBondContact O-CZ3 3.3Å
203W94.9Very high92.6Very high2 Ų237 Ų371%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-64.1132.7-171.3-65.6109.4000114.4L179 L182 L198 N201 L209 L212 V232 W233 L242L179-W203 HydrophobicContact CB-CH2 3.97Å; L179-W203 HydrophobicContact CB-CZ3 4.23Å; L179-W203 HydrophobicContact CD1-CH2 4.42Å; L182-W203 HydrophobicContact CD2-CH2 3.89Å; L182-W203 HydrophobicContact CD2-CZ3 4.25Å; L182-W203 HydrophobicContact CG-CH2 3.99Å; L182-W203 HydrophobicContact CG-CZ3 4.04Å; L198-W203 HydrophobicContact CB-CZ2 3.64Å; L198-W203 HydrophobicContact CD1-CZ2 4.27Å; L198-W203 HydrophobicContact CD2-CH2 3.89Å; L198-W203 HydrophobicContact CD2-CZ2 3.69Å; L198-W203 HydrophobicContact CG-CZ2 4.05Å; L198-W203 PolarHBondContact O-NE1 3.5Å; N201-W203 VanDerWaalsContact C-N 3.25Å; N201-W203 HydrophobicContact CB-CD2 4.2Å; N201-W203 HydrophobicContact CB-CH2 4.39Å; N201-W203 HydrophobicContact CB-CZ2 3.61Å; N201-W203 PolarHBondContact O-N 3.39Å; W203-L209 HydrophobicContact CE3-CD1 4.43Å; W203-L212 HydrophobicContact CE3-CD2 4.25Å; W203-L212 HydrophobicContact CH2-CD2 4.35Å; W203-L212 HydrophobicContact CZ3-CD2 4.1Å; W203-V232 PolarHBondContact O-N 3.27Å; W203-W233 PolarHBondContact O-N 2.78Å; W203-L242 HydrophobicContact CB-CD1 3.92Å; W203-L242 HydrophobicContact CB-CD2 4.24Å; W203-L242 HydrophobicContact CD2-CD2 4.06Å; W203-L242 HydrophobicContact CG-CD1 4.14Å; W203-L242 HydrophobicContact CG-CD2 3.78Å
204G93.8Very high92.3Very high2 Ų238.3 Ų38.32%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-95.8113.817300000113A180 P202 G206 W233A180-G204 PolarHBondContact O-N 3.25Å; P202-G204 PolarHBondContact O-N 3.01Å; G204-G206 PolarHBondContact O-N 3.49Å; G204-W233 VanDerWaalsContact CA-CD2 3.45Å; G204-W233 VanDerWaalsContact CA-CE2 3.48Å
205C90.9Very high92.2Very high8 Ų834.9 Ų34.95%0.05421%0.208CC..  trans-90.557.6-176.3-63.80000112L209 C231 W233 L237 F245C205-L209 HydrophobicContact CB-CD2 4.04Å; C205-L209 VanDerWaalsContact SG-CD2 3.55Å; C205-C231 HydrophobicContact CB-CB 3.76Å; C205-C231 WeakPolarHBondContact CB-SG 3.25Å; C205-C231 VanDerWaalsContact SG-CA 3.5Å; C205-C231 WeakPolarHBondContact SG-CB 3.31Å; C205-C231 CovalentContact SG-SG 1.98Å; C205-C231 PolarHBondContact SG-SG 3.25Å; C205-W233 PolarHBondContact N-O 2.88Å; C205-L237 HydrophobicContact CB-CB 4.46Å; C205-L237 HydrophobicContact CB-CD1 4.17Å; C205-L237 WeakPolarHBondContact O-CD1 3.49Å; C205-F245 HydrophobicContact CB-CE2 4.08Å; C205-F245 HydrophobicContact CB-CZ 3.78Å
206G88.1Confident92Very high33 Ų3333.6 Ų33.634%0.3420%0.196SC..SBendtrans-112.6-162.5170.200000112.1G204 A208 L209 F250G204-G206 PolarHBondContact O-N 3.49Å; G206-A208 VanDerWaalsContact C-N 3.26Å; G206-A208 PolarHBondContact O-N 3.25Å; G206-L209 VanDerWaalsContact O-CB 3.3Å; G206-L209 WeakPolarHBondContact O-CB 3.39Å; G206-L209 PolarHBondContact O-N 3.35Å; G206-F250 WeakPolarHBondContact O-CE1 3.46Å
207C87.1Confident91.7Very high69 Ų6938.3 Ų38.347%0.46621%0.214SC..G310 helixtrans-58.4-32.4-174.9-61.70000115.2L209 R210 C253C207-L209 PolarHBondContact O-N 3.36Å; C207-R210 WeakPolarHBondContact O-CB 3.43Å; C207-R210 PolarHBondContact O-N 2.86Å; C207-C253 WeakPolarHBondContact CA-SG 2.98Å; C207-C253 HydrophobicContact CB-CB 3.43Å; C207-C253 VanDerWaalsContact CB-CB 3.43Å; C207-C253 WeakPolarHBondContact CB-SG 3.32Å; C207-C253 WeakPolarHBondContact SG-CA 3.34Å; C207-C253 WeakPolarHBondContact SG-CB 3.03Å; C207-C253 CovalentContact SG-SG 2.02Å; C207-C253 PolarHBondContact SG-SG 3.13Å
208A87.4Confident91.5Very high50 Ų5045.5 Ų45.541%0.41324%0.239SC..G310 helixtrans-64.6-19.4178.300000113.2A181 G206 R210 P211A181-A208 HydrophobicContact CB-CB 3.78Å; G206-A208 VanDerWaalsContact C-N 3.26Å; G206-A208 PolarHBondContact O-N 3.25Å; A208-R210 VanDerWaalsContact C-N 3.33Å; A208-P211 VanDerWaalsContact O-CD 3.26Å; A208-P211 WeakPolarHBondContact O-CD 3.24Å
209L89.9Confident91.3Very high1 Ų148.3 Ų48.31%0.00525%0.252CS..G310 helixtrans-77-19.5-179.4-163.772.4000113.1W203 C205 G206 C207 P211 L212 C213 L242 F245 F250W203-L209 HydrophobicContact CE3-CD1 4.43Å; C205-L209 HydrophobicContact CB-CD2 4.04Å; C205-L209 VanDerWaalsContact SG-CD2 3.55Å; G206-L209 VanDerWaalsContact O-CB 3.3Å; G206-L209 WeakPolarHBondContact O-CB 3.39Å; G206-L209 PolarHBondContact O-N 3.35Å; C207-L209 PolarHBondContact O-N 3.36Å; L209-P211 VanDerWaalsContact C-CD 3.45Å; L209-L212 HydrophobicContact CD1-CB 4.4Å; L209-L212 HydrophobicContact CD1-CD2 3.84Å; L209-L212 HydrophobicContact CD1-CG 4.49Å; L209-L212 WeakPolarHBondContact O-CA 3.13Å; L209-L212 WeakPolarHBondContact O-CB 3.34Å; L209-L212 PolarHBondContact O-N 2.95Å; L209-C213 PolarHBondContact O-N 3.12Å; L209-L242 HydrophobicContact CD1-CD2 4.08Å; L209-L242 HydrophobicContact CD1-CG 4.27Å; L209-L242 HydrophobicContact CD2-CG 4.08Å; L209-F245 HydrophobicContact CD2-CD2 4.41Å; L209-F250 HydrophobicContact CB-CE1 4.26Å; L209-F250 HydrophobicContact CB-CZ 4.44Å
210R89.1Confident90.8Very high115 Ų11546.9 Ų46.943%0.43426%0.262SS..Hα-helixtrans-49.7-47.2-174-176.5-176.8-179.4-174.1-0.4114.1C207 A208 L212 C213 A214 F250C207-R210 WeakPolarHBondContact O-CB 3.43Å; C207-R210 PolarHBondContact O-N 2.86Å; A208-R210 VanDerWaalsContact C-N 3.33Å; R210-L212 VanDerWaalsContact C-N 3.29Å; R210-L212 PolarHBondContact O-N 2.9Å; R210-C213 PolarHBondContact O-N 3.17Å; R210-A214 WeakPolarHBondContact O-CB 3.5Å; R210-A214 PolarHBondContact O-N 2.96Å; R210-F250 HydrophobicContact CB-CB 4.28Å; R210-F250 HydrophobicContact CB-CD1 3.89Å; R210-F250 HydrophobicContact CB-CD2 4.12Å; R210-F250 HydrophobicContact CB-CE1 4.23Å; R210-F250 HydrophobicContact CB-CE2 4.44Å; R210-F250 HydrophobicContact CB-CG 3.83Å; R210-F250 HydrophobicContact CB-CZ 4.49Å; R210-F250 HydrophobicContact CG-CB 4.1Å; R210-F250 HydrophobicContact CG-CD2 3.99Å; R210-F250 HydrophobicContact CG-CG 3.95Å
211P89.3Confident90.3Very high55 Ų5546.7 Ų46.736%0.35725%0.25SS..Hα-helixtrans-62.7-36.2179.1-20.334.2000112.6A208 L209 W215A208-P211 VanDerWaalsContact O-CD 3.26Å; A208-P211 WeakPolarHBondContact O-CD 3.24Å; L209-P211 VanDerWaalsContact C-CD 3.45Å; P211-W215 PolarHBondContact O-N 2.81Å; P211-W215 VanDerWaalsContact O-N 3.09Å
212L91.9Very high89.8Confident2 Ų249.6 Ų49.61%0.0127%0.27CS..Hα-helixtrans-69.9-47.3178.2174.357.1000111.2L182 L187 L196 L198 W203 L209 R210 A214 W215 L216 L242L182-L212 HydrophobicContact CD1-CD1 3.98Å; L182-L212 HydrophobicContact CD1-CD2 4.29Å; L182-L212 HydrophobicContact CD1-CG 4.49Å; L182-L212 HydrophobicContact CG-CD2 4.47Å; L187-L212 HydrophobicContact CD1-CD1 4.38Å; L196-L212 HydrophobicContact CD2-CD1 4.14Å; L198-L212 HydrophobicContact CD1-CD1 3.44Å; L198-L212 VanDerWaalsContact CD1-CD1 3.44Å; L198-L212 HydrophobicContact CD1-CD2 3.83Å; L198-L212 HydrophobicContact CD1-CG 4.25Å; W203-L212 HydrophobicContact CE3-CD2 4.25Å; W203-L212 HydrophobicContact CH2-CD2 4.35Å; W203-L212 HydrophobicContact CZ3-CD2 4.1Å; L209-L212 HydrophobicContact CD1-CB 4.4Å; L209-L212 HydrophobicContact CD1-CD2 3.84Å; L209-L212 HydrophobicContact CD1-CG 4.49Å; L209-L212 WeakPolarHBondContact O-CA 3.13Å; L209-L212 WeakPolarHBondContact O-CB 3.34Å; L209-L212 PolarHBondContact O-N 2.95Å; R210-L212 VanDerWaalsContact C-N 3.29Å; R210-L212 PolarHBondContact O-N 2.9Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.12Å; L212-W215 PolarHBondContact O-N 3.01Å; L212-W215 VanDerWaalsContact O-N 3.09Å; L212-L216 HydrophobicContact CD1-CD1 3.97Å; L212-L216 HydrophobicContact CD1-CD2 4.47Å; L212-L216 HydrophobicContact CD1-CG 3.91Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.38Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 3.47Å; L212-L242 HydrophobicContact CD2-CD2 3.87Å
213C90.5Very high89Confident2 Ų250.6 Ų50.61%0.01428%0.282CS..Hα-helixtrans-58-41.5175.2-66.60000111.8L209 R210 W215 L216 R217 L242 F250L209-C213 PolarHBondContact O-N 3.12Å; R210-C213 PolarHBondContact O-N 3.17Å; C213-W215 VanDerWaalsContact C-N 3.31Å; C213-W215 PolarHBondContact O-N 2.8Å; C213-L216 PolarHBondContact O-N 3.12Å; C213-R217 WeakPolarHBondContact O-CG 3.14Å; C213-R217 PolarHBondContact O-N 3.44Å; C213-R217 VanDerWaalsContact O-N 3.13Å; C213-L242 PolarHBondContact SG-O 3.36Å; C213-F250 HydrophobicContact CB-CE2 4.19Å; C213-F250 HydrophobicContact CB-CZ 4.38Å
214A89.4Confident88.4Confident30 Ų3054.4 Ų54.425%0.24831%0.309CS..Hα-helixtrans-62.6-37.7176.500000112.5R210 L212R210-A214 WeakPolarHBondContact O-CB 3.5Å; R210-A214 PolarHBondContact O-N 2.96Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.12Å
215W92Very high87.9Confident28 Ų2857.5 Ų57.511%0.10632%0.323CS..Hα-helixtrans-69.6-46.5176.2-172.594.2000112.1L187 L193 L196 P211 L212 C213 R217 R218 H219L187-W215 HydrophobicContact CD1-CB 3.61Å; L187-W215 HydrophobicContact CD1-CD2 4.41Å; L187-W215 HydrophobicContact CD1-CG 3.73Å; L193-W215 HydrophobicContact CD2-CZ2 3.98Å; L193-W215 HydrophobicContact CG-CZ2 4.14Å; L196-W215 HydrophobicContact CB-CE3 4.45Å; L196-W215 HydrophobicContact CB-CH2 3.46Å; L196-W215 VanDerWaalsContact CB-CH2 3.46Å; L196-W215 HydrophobicContact CB-CZ2 4.14Å; L196-W215 HydrophobicContact CB-CZ3 3.63Å; L196-W215 HydrophobicContact CD2-CD2 4.44Å; L196-W215 HydrophobicContact CD2-CE3 4.05Å; L196-W215 HydrophobicContact CD2-CH2 4.42Å; L196-W215 HydrophobicContact CD2-CZ3 4.05Å; L196-W215 HydrophobicContact CG-CZ3 4.46Å; P211-W215 PolarHBondContact O-N 2.81Å; P211-W215 VanDerWaalsContact O-N 3.09Å; L212-W215 PolarHBondContact O-N 3.01Å; L212-W215 VanDerWaalsContact O-N 3.09Å; C213-W215 VanDerWaalsContact C-N 3.31Å; C213-W215 PolarHBondContact O-N 2.8Å; W215-R217 VanDerWaalsContact C-N 3.29Å; W215-R217 PolarHBondContact O-N 3.18Å; W215-R218 PolarHBondContact O-N 3.21Å; W215-H219 AromaticContact CD1-ND1 3.94Å; W215-H219 HydrophobicContact CD2-CB 4.43Å; W215-H219 AromaticContact CD2-ND1 3.63Å; W215-H219 AromaticContact CE2-CE1 3.75Å; W215-H219 AromaticContact CE2-CG 3.8Å; W215-H219 AromaticContact CE2-ND1 3.37Å; W215-H219 HydrophobicContact CE3-CB 4.13Å; W215-H219 AromaticContact CG-ND1 3.97Å; W215-H219 HydrophobicContact CH2-CB 3.61Å; W215-H219 AromaticContact CH2-CG 3.8Å; W215-H219 HydrophobicContact CZ2-CB 3.96Å; W215-H219 AromaticContact CZ2-CD2 3.97Å; W215-H219 AromaticContact CZ2-CG 3.6Å; W215-H219 AromaticContact CZ2-ND1 3.69Å; W215-H219 HydrophobicContact CZ3-CB 3.7Å; W215-H219 AromaticContact NE1-CE1 3.54Å; W215-H219 AromaticContact NE1-ND1 3.58Å; W215-H219 PolarHBondContact O-N 2.98Å; W215-H219 VanDerWaalsContact O-N 3.11Å; W215-H219 PolarHBondContact O-ND1 3.21Å
216L91.5Very high87.6Confident6 Ų658.1 Ų58.13%0.03133%0.329CS..Hα-helixtrans-61.3-33.6-179.8-72171.2000112.8L212 C213 R218 H219 L221 L229 L242 T243L212-L216 HydrophobicContact CD1-CD1 3.97Å; L212-L216 HydrophobicContact CD1-CD2 4.47Å; L212-L216 HydrophobicContact CD1-CG 3.91Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.38Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 3.47Å; C213-L216 PolarHBondContact O-N 3.12Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.05Å; L216-H219 CarbonylContact O-C 3.4Å; L216-H219 VanDerWaalsContact O-C 3.22Å; L216-H219 PolarHBondContact O-N 3.37Å; L216-H219 VanDerWaalsContact O-O 3.06Å; L216-L221 HydrophobicContact CD2-CD1 3.62Å; L216-L221 HydrophobicContact CD2-CG 4.18Å; L216-L229 HydrophobicContact CD1-CD1 4.4Å; L216-L229 HydrophobicContact CD2-CD1 4.35Å; L216-L242 HydrophobicContact CD1-CB 4.23Å; L216-T243 HydrophobicContact CB-CG2 4.36Å; L216-T243 HydrophobicContact CD1-CG2 4.44Å
217R88.4Confident87.4Confident101 Ų10163.3 Ų63.338%0.38134%0.344SS..Hα-helixtrans-67.1-26.5174.7-72.6-173.9-58.3-124.84.3113.5C213 W215 F245 D247C213-R217 WeakPolarHBondContact O-CG 3.14Å; C213-R217 PolarHBondContact O-N 3.44Å; C213-R217 VanDerWaalsContact O-N 3.13Å; W215-R217 VanDerWaalsContact C-N 3.29Å; W215-R217 PolarHBondContact O-N 3.18Å; R217-F245 PolarHBondContact NH1-O 3.18Å; R217-D247 IonicContact CZ-OD1 3.6Å; R217-D247 IonicContact CZ-OD2 3.77Å; R217-D247 IonicContact NH1-OD1 3.7Å; R217-D247 IonicContact NH2-OD1 2.69Å; R217-D247 PolarHBondContact NH2-OD1 3.45Å; R217-D247 IonicContact NH2-OD2 3.04Å; R217-D247 PolarHBondContact NH2-OD2 2.96Å
218R89.9Confident87.5Confident203 Ų20362.1 Ų62.177%0.76634%0.335SS*.Hα-helixtrans-87.3-21.2176.6-64.6179.1-175.5175.91.1112.5W215 L216W215-R218 PolarHBondContact O-N 3.21Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.05Å
219H90.8Very high87.8Confident61 Ų6159.9 Ų59.928%0.28232%0.316SS..SBendtrans-126.277.6-177.9-56.686.1000108.9W215 L216 L221W215-H219 AromaticContact CD1-ND1 3.94Å; W215-H219 HydrophobicContact CD2-CB 4.43Å; W215-H219 AromaticContact CD2-ND1 3.63Å; W215-H219 AromaticContact CE2-CE1 3.75Å; W215-H219 AromaticContact CE2-CG 3.8Å; W215-H219 AromaticContact CE2-ND1 3.37Å; W215-H219 HydrophobicContact CE3-CB 4.13Å; W215-H219 AromaticContact CG-ND1 3.97Å; W215-H219 HydrophobicContact CH2-CB 3.61Å; W215-H219 AromaticContact CH2-CG 3.8Å; W215-H219 HydrophobicContact CZ2-CB 3.96Å; W215-H219 AromaticContact CZ2-CD2 3.97Å; W215-H219 AromaticContact CZ2-CG 3.6Å; W215-H219 AromaticContact CZ2-ND1 3.69Å; W215-H219 HydrophobicContact CZ3-CB 3.7Å; W215-H219 AromaticContact NE1-CE1 3.54Å; W215-H219 AromaticContact NE1-ND1 3.58Å; W215-H219 PolarHBondContact O-N 2.98Å; W215-H219 VanDerWaalsContact O-N 3.11Å; W215-H219 PolarHBondContact O-ND1 3.21Å; L216-H219 CarbonylContact O-C 3.4Å; L216-H219 VanDerWaalsContact O-C 3.22Å; L216-H219 PolarHBondContact O-N 3.37Å; L216-H219 VanDerWaalsContact O-O 3.06Å; H219-L221 PolarHBondContact O-N 3.33Å
220P84.1Confident87.9Confident115 Ų11562.5 Ų62.575%0.74733%0.33SS*.PPolyproline II helixtrans-61.6126-178.624.1-32.1000110.4
221L85.9Confident88.1Confident39 Ų3957.1 Ų57.120%0.20431%0.309CS..PPolyproline II helixtrans-83.7156.4177.7-64.7171.6000110.9L216 H219 E225 A226 L229L216-L221 HydrophobicContact CD2-CD1 3.62Å; L216-L221 HydrophobicContact CD2-CG 4.18Å; H219-L221 PolarHBondContact O-N 3.33Å; L221-E225 HydrophobicContact CB-CB 4.35Å; L221-A226 HydrophobicContact CB-CB 4.39Å; L221-L229 HydrophobicContact CD1-CD1 3.46Å; L221-L229 VanDerWaalsContact CD1-CD1 3.46Å
222P84.8Confident88.4Confident72 Ų7258.1 Ų58.147%0.46831%0.314SS..PPolyproline II helixtrans-53.8146.1165.8-21.232000111.1S224 E225 A226P222-S224 PolarHBondContact O-N 2.91Å; P222-E225 PolarHBondContact O-N 3.42Å; P222-A226 PolarHBondContact O-N 3.49Å
223A79.7Confident88.2Confident68 Ų6863.7 Ų63.756%0.56234%0.335SS*.Hα-helixtrans-53.4-41.9-176.800000112.7E225 A226 E227A223-E225 VanDerWaalsContact C-N 3.27Å; A223-E225 PolarHBondContact O-N 2.02Å; A223-A226 PolarHBondContact O-N 3.17Å; A223-E227 WeakPolarHBondContact O-CB 2.95Å; A223-E227 VanDerWaalsContact O-CG 3.32Å; A223-E227 WeakPolarHBondContact O-CG 2.89Å; A223-E227 PolarHBondContact O-N 3.29Å
224S82.4Confident87.9Confident83 Ų8366.4 Ų66.458%0.5835%0.353SS*.Hα-helixtrans-61.5-30.5178.854.30000114.2P222 T228P222-S224 PolarHBondContact O-N 2.91Å; S224-T228 VanDerWaalsContact O-CG2 3.32Å; S224-T228 WeakPolarHBondContact O-CG2 3.2Å
225E83.6Confident87.7Confident67 Ų6768.3 Ų68.331%0.31338%0.375SS..Hα-helixtrans-84.1-43.9176.1-71.4-177.9-162.600110.8L221 P222 A223 E227 T228L221-E225 HydrophobicContact CB-CB 4.35Å; P222-E225 PolarHBondContact O-N 3.42Å; A223-E225 VanDerWaalsContact C-N 3.27Å; A223-E225 PolarHBondContact O-N 2.02Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 3.22Å; E225-T228 PolarHBondContact O-N 3.03Å; E225-T228 PolarHBondContact O-OG1 3.07Å
226A83.8Confident87.2Confident21 Ų2178.6 Ų78.617%0.17441%0.414CS..Hα-helixtrans-59.2-40-179.400000112.7L221 P222 A223 T228 L229L221-A226 HydrophobicContact CB-CB 4.39Å; P222-A226 PolarHBondContact O-N 3.49Å; A223-A226 PolarHBondContact O-N 3.17Å; A226-T228 PolarHBondContact O-N 3Å; A226-L229 PolarHBondContact O-N 3.06Å
227E84.9Confident86.9Confident141 Ų14181.1 Ų81.166%0.65943%0.427SS*.THydrogen-bonded Turntrans-63.2-22.9177.6-75.1174.1-175.400113.3A223 E225 L230A223-E227 WeakPolarHBondContact O-CB 2.95Å; A223-E227 VanDerWaalsContact O-CG 3.32Å; A223-E227 WeakPolarHBondContact O-CG 2.89Å; A223-E227 PolarHBondContact O-N 3.29Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 3.22Å; E227-L230 WeakPolarHBondContact O-CD2 3.3Å
228T88.8Confident86.9Confident44 Ų4479.3 Ų79.327%0.2743%0.427SS..THydrogen-bonded Turntrans-89.8-10.8-179.169.70000113.2S224 E225 A226 L230S224-T228 VanDerWaalsContact O-CG2 3.32Å; S224-T228 WeakPolarHBondContact O-CG2 3.2Å; E225-T228 PolarHBondContact O-N 3.03Å; E225-T228 PolarHBondContact O-OG1 3.07Å; A226-T228 PolarHBondContact O-N 3Å; T228-L230 PolarHBondContact O-N 2.81Å
229L92.7Very high86.8Confident4 Ų475.8 Ų75.82%0.02142%0.423CS..  trans-87.784.1178.5-62.1-174.9000109.4L198 L216 L221 A226 P241 L242L198-L229 HydrophobicContact CB-CD2 3.64Å; L216-L229 HydrophobicContact CD1-CD1 4.4Å; L216-L229 HydrophobicContact CD2-CD1 4.35Å; L221-L229 HydrophobicContact CD1-CD1 3.46Å; L221-L229 VanDerWaalsContact CD1-CD1 3.46Å; A226-L229 PolarHBondContact O-N 3.06Å; L229-P241 CarbonylContact O-C 3.53Å; L229-P241 WeakPolarHBondContact O-CA 3.42Å; L229-L242 HydrophobicContact CB-CB 4.2Å; L229-L242 HydrophobicContact CB-CD1 4.43Å; L229-L242 HydrophobicContact CB-CD2 4.3Å; L229-L242 VanDerWaalsContact O-CD1 3.28Å; L229-L242 WeakPolarHBondContact O-CD1 3.29Å; L229-L242 PolarHBondContact O-N 3.36Å
230L93.3Very high86.8Confident56 Ų5674.1 Ų74.129%0.29342%0.418SS..BIsolated β-bridgetrans-112147.8-177.4-55.7-179.7000112.1E227 T228 L239 S240 P241 L242E227-L230 WeakPolarHBondContact O-CD2 3.3Å; T228-L230 PolarHBondContact O-N 2.81Å; L230-L239 HydrophobicContact CD1-CD2 4Å; L230-S240 WeakPolarHBondContact CA-O 3.46Å; L230-P241 HydrophobicContact CD2-CB 4.25Å; L230-L242 VanDerWaalsContact C-CD1 3.4Å
231C93.6Very high87.1Confident1 Ų171 Ų711%0.00740%0.398CS..EExtended strand (participates in β ladder)trans-69135.5169.4-59.40000111C205 L237 T238 L239 S240 F245C205-C231 HydrophobicContact CB-CB 3.76Å; C205-C231 WeakPolarHBondContact CB-SG 3.25Å; C205-C231 VanDerWaalsContact SG-CA 3.5Å; C205-C231 WeakPolarHBondContact SG-CB 3.31Å; C205-C231 CovalentContact SG-SG 1.98Å; C205-C231 PolarHBondContact SG-SG 3.25Å; C231-L237 WeakPolarHBondContact CB-O 3.36Å; C231-T238 CarbonylContact O-C 3.12Å; C231-T238 WeakPolarHBondContact O-CA 3.07Å; C231-L239 PolarHBondContact O-N 3.39Å; C231-S240 PolarHBondContact N-O 2.8Å; C231-S240 PolarHBondContact SG-O 2.67Å; C231-S240 PolarHBondContact SG-OG 3.13Å; C231-F245 WeakPolarHBondContact SG-CE2 3.25Å
232V94.1Very high87.3Confident76 Ų7669.1 Ų69.146%0.46139%0.388SS..EExtended strand (participates in β ladder)trans-96.5-37.2170.6177.60000110.8P202 W203 T238P202-V232 HydrophobicContact CB-CB 4.49Å; P202-V232 HydrophobicContact CB-CG2 4.33Å; W203-V232 PolarHBondContact O-N 3.27Å; V232-T238 WeakPolarHBondContact O-CG2 3.4Å; V232-T238 PolarHBondContact O-OG1 3.17Å
233W87.6Confident87.2Confident120 Ų12069 Ų6946%0.45539%0.386SS..EExtended strand (participates in β ladder)trans-143.2163.8177.496.592.4000111.9A180 P202 W203 G204 C205A180-W233 HydrophobicContact CB-CH2 3.29Å; A180-W233 HydrophobicContact CB-CZ2 4.48Å; A180-W233 HydrophobicContact CB-CZ3 3.6Å; A180-W233 WeakPolarHBondContact O-CH2 3.49Å; P202-W233 WeakPolarHBondContact O-CZ3 3.3Å; W203-W233 PolarHBondContact O-N 2.78Å; G204-W233 VanDerWaalsContact CA-CD2 3.45Å; G204-W233 VanDerWaalsContact CA-CE2 3.48Å; C205-W233 PolarHBondContact N-O 2.88Å
234P85.7Confident87.5Confident59 Ų5969 Ų6938%0.38339%0.387SS..SBendcis-70.6159.6-5.130.3-36000112.4R236 L237 T238P234-R236 PolarHBondContact O-N 3.17Å; P234-L237 HydrophobicContact CG-CD1 4.14Å; P234-L237 HydrophobicContact CG-CG 4.43Å; P234-L237 PolarHBondContact O-N 3.19Å; P234-T238 PolarHBondContact O-N 3.48Å
235G83.4Confident87.6Confident69 Ų6966.4 Ų66.471%0.71137%0.365SS*.G310 helixtrans-48.8-29-170.600000116.8L237 T238G235-L237 VanDerWaalsContact C-N 3.27Å; G235-L237 PolarHBondContact O-N 3.22Å; G235-T238 VanDerWaalsContact CA-OG1 3.32Å; G235-T238 WeakPolarHBondContact CA-OG1 3.41Å; G235-T238 PolarHBondContact O-OG1 2.94Å
236R83.4Confident87.7Confident245 Ų24566.5 Ų66.593%0.92537%0.373SS*.G310 helixtrans-71.3-20.9176.9-62.8-176.9-175.4-86.10.1114P234P234-R236 PolarHBondContact O-N 3.17Å
237L83.4Confident87.5Confident58 Ų5869.5 Ų69.530%0.30439%0.386SS..G310 helixtrans-111.41.1-177.1-61.7178.4000111.7C205 C231 P234 G235 L239 S240 F245C205-L237 HydrophobicContact CB-CB 4.46Å; C205-L237 HydrophobicContact CB-CD1 4.17Å; C205-L237 WeakPolarHBondContact O-CD1 3.49Å; C231-L237 WeakPolarHBondContact CB-O 3.36Å; P234-L237 HydrophobicContact CG-CD1 4.14Å; P234-L237 HydrophobicContact CG-CG 4.43Å; P234-L237 PolarHBondContact O-N 3.19Å; G235-L237 VanDerWaalsContact C-N 3.27Å; G235-L237 PolarHBondContact O-N 3.22Å; L237-L239 PolarHBondContact O-N 3.37Å; L237-S240 VanDerWaalsContact O-CB 3.3Å; L237-S240 WeakPolarHBondContact O-CB 3.49Å; L237-S240 PolarHBondContact O-N 3.09Å; L237-S240 PolarHBondContact O-OG 3.28Å; L237-F245 HydrophobicContact CD1-CE1 3.97Å; L237-F245 HydrophobicContact CD1-CZ 4.22Å; L237-F245 HydrophobicContact CD2-CE1 4.11Å; L237-F245 HydrophobicContact CD2-CZ 4.37Å
238T88.4Confident87.3Confident64 Ų6466 Ų6639%0.39338%0.381SS..THydrogen-bonded Turntrans-56.6137.5178.7-55.40000110.5C231 V232 P234 G235 S240C231-T238 CarbonylContact O-C 3.12Å; C231-T238 WeakPolarHBondContact O-CA 3.07Å; V232-T238 WeakPolarHBondContact O-CG2 3.4Å; V232-T238 PolarHBondContact O-OG1 3.17Å; P234-T238 PolarHBondContact O-N 3.48Å; G235-T238 VanDerWaalsContact CA-OG1 3.32Å; G235-T238 WeakPolarHBondContact CA-OG1 3.41Å; G235-T238 PolarHBondContact O-OG1 2.94Å; T238-S240 PolarHBondContact O-N 3.34Å
239L88.6Confident87Confident128 Ų12866.6 Ų66.667%0.6739%0.39SS*.THydrogen-bonded Turntrans665.3-173.5-51.4177.4000116.2L230 C231 L237L230-L239 HydrophobicContact CD1-CD2 4Å; C231-L239 PolarHBondContact O-N 3.39Å; L237-L239 PolarHBondContact O-N 3.37Å
240S90.2Very high86.5Confident27 Ų2766.7 Ų66.719%0.18939%0.391CS..  trans-74.3139.4168.864.30000110.5L230 C231 L237 T238 F245L230-S240 WeakPolarHBondContact CA-O 3.46Å; C231-S240 PolarHBondContact N-O 2.8Å; C231-S240 PolarHBondContact SG-O 2.67Å; C231-S240 PolarHBondContact SG-OG 3.13Å; L237-S240 VanDerWaalsContact O-CB 3.3Å; L237-S240 WeakPolarHBondContact O-CB 3.49Å; L237-S240 PolarHBondContact O-N 3.09Å; L237-S240 PolarHBondContact O-OG 3.28Å; T238-S240 PolarHBondContact O-N 3.34Å; S240-F245 VanDerWaalsContact OG-CZ 3.3Å; S240-F245 WeakPolarHBondContact OG-CZ 3.22Å
241P90.5Very high85.7Confident49 Ų4967.5 Ų67.532%0.31840%0.401SS..BIsolated β-bridgetrans-73.5142.2-179.927.8-31.6000110.8L229 L230 T243 A244 F245L229-P241 CarbonylContact O-C 3.53Å; L229-P241 WeakPolarHBondContact O-CA 3.42Å; L230-P241 HydrophobicContact CD2-CB 4.25Å; P241-T243 PolarHBondContact O-N 3.02Å; P241-A244 HydrophobicContact CG-CB 3.8Å; P241-A244 WeakPolarHBondContact O-CB 3.45Å; P241-A244 PolarHBondContact O-N 2.99Å; P241-F245 WeakPolarHBondContact O-CE2 3.47Å
242L90.2Very high85Confident0 Ų075.2 Ų75.20%044%0.437CS..G310 helixtrans-58.7-24.5-178.9-92.363.1000112.9W203 L209 L212 C213 L216 L229 L230W203-L242 HydrophobicContact CB-CD1 3.92Å; W203-L242 HydrophobicContact CB-CD2 4.24Å; W203-L242 HydrophobicContact CD2-CD2 4.06Å; W203-L242 HydrophobicContact CG-CD1 4.14Å; W203-L242 HydrophobicContact CG-CD2 3.78Å; L209-L242 HydrophobicContact CD1-CD2 4.08Å; L209-L242 HydrophobicContact CD1-CG 4.27Å; L209-L242 HydrophobicContact CD2-CG 4.08Å; L212-L242 HydrophobicContact CD2-CD2 3.87Å; C213-L242 PolarHBondContact SG-O 3.36Å; L216-L242 HydrophobicContact CD1-CB 4.23Å; L229-L242 HydrophobicContact CB-CB 4.2Å; L229-L242 HydrophobicContact CB-CD1 4.43Å; L229-L242 HydrophobicContact CB-CD2 4.3Å; L229-L242 VanDerWaalsContact O-CD1 3.28Å; L229-L242 WeakPolarHBondContact O-CD1 3.29Å; L229-L242 PolarHBondContact O-N 3.36Å; L230-L242 VanDerWaalsContact C-CD1 3.4Å
243T84Confident84.2Confident68 Ų6873.8 Ų73.842%0.41743%0.429SS..G310 helixtrans-84.4-11.6179.451.90000113.9L216 P241 F245L216-T243 HydrophobicContact CB-CG2 4.36Å; L216-T243 HydrophobicContact CD1-CG2 4.44Å; P241-T243 PolarHBondContact O-N 3.02Å; T243-F245 PolarHBondContact O-N 3.27Å
244A84.6Confident83Confident70 Ų7071.1 Ų71.158%0.57943%0.433SS*.G310 helixtrans-73.1-14.1179.400000113.8P241 S246P241-A244 HydrophobicContact CG-CB 3.8Å; P241-A244 WeakPolarHBondContact O-CB 3.45Å; P241-A244 PolarHBondContact O-N 2.99Å; A244-S246 PolarHBondContact O-N 2.94Å
245F85.5Confident81.7Confident28 Ų2875.9 Ų75.912%0.12345%0.45CS..  trans-84.3117.6-175.9-59.1-84.9000111.9C205 L209 R217 C231 L237 S240 P241 T243 A249 F250C205-F245 HydrophobicContact CB-CE2 4.08Å; C205-F245 HydrophobicContact CB-CZ 3.78Å; L209-F245 HydrophobicContact CD2-CD2 4.41Å; R217-F245 PolarHBondContact NH1-O 3.18Å; C231-F245 WeakPolarHBondContact SG-CE2 3.25Å; L237-F245 HydrophobicContact CD1-CE1 3.97Å; L237-F245 HydrophobicContact CD1-CZ 4.22Å; L237-F245 HydrophobicContact CD2-CE1 4.11Å; L237-F245 HydrophobicContact CD2-CZ 4.37Å; S240-F245 VanDerWaalsContact OG-CZ 3.3Å; S240-F245 WeakPolarHBondContact OG-CZ 3.22Å; P241-F245 WeakPolarHBondContact O-CE2 3.47Å; T243-F245 PolarHBondContact O-N 3.27Å; F245-A249 HydrophobicContact CB-CB 4.31Å; F245-A249 HydrophobicContact CD1-CB 4.12Å; F245-F250 HydrophobicContact CB-CE2 3.75Å; F245-F250 HydrophobicContact CB-CZ 3.8Å; F245-F250 HydrophobicContact CG-CZ 4.29Å
246S84.8Confident80.5Confident68 Ų6877.9 Ų77.948%0.47645%0.451SS..  trans-77.316616970.20000111.3A244 A248 A249 F250A244-S246 PolarHBondContact O-N 2.94Å; S246-A248 PolarHBondContact O-N 3.04Å; S246-A249 VanDerWaalsContact O-CB 3.32Å; S246-A249 WeakPolarHBondContact O-CB 3.11Å; S246-A249 PolarHBondContact O-N 3.38Å; S246-A249 VanDerWaalsContact O-N 3.09Å; S246-F250 WeakPolarHBondContact O-CD2 3.45Å
247D79.5Confident79.1Confident84 Ų8472.3 Ų72.345%0.44944%0.438SS..G310 helixtrans-60.2-27.8174.8-76.7-42.2000113.2R217 A249 F250R217-D247 IonicContact CZ-OD1 3.6Å; R217-D247 IonicContact CZ-OD2 3.77Å; R217-D247 IonicContact NH1-OD1 3.7Å; R217-D247 IonicContact NH2-OD1 2.69Å; R217-D247 PolarHBondContact NH2-OD1 3.45Å; R217-D247 IonicContact NH2-OD2 3.04Å; R217-D247 PolarHBondContact NH2-OD2 2.96Å; D247-A249 VanDerWaalsContact C-N 3.26Å; D247-A249 PolarHBondContact O-N 3.12Å; D247-F250 PolarHBondContact O-N 3.42Å
248A81.1Confident78.1Confident68 Ų6871.7 Ų71.756%0.56244%0.442SS*.G310 helixtrans-64.6-29.9176.300000112.5S246 F250 S251S246-A248 PolarHBondContact O-N 3.04Å; A248-F250 PolarHBondContact O-N 3Å; A248-F250 VanDerWaalsContact O-N 3.17Å; A248-S251 VanDerWaalsContact O-CB 3.29Å; A248-S251 WeakPolarHBondContact O-CB 3.3Å; A248-S251 PolarHBondContact O-N 2.84Å; A248-S251 VanDerWaalsContact O-N 3.13Å; A248-S251 PolarHBondContact O-OG 2.82Å
249A82.4Confident76.8Confident56 Ų5676 Ų7646%0.46346%0.461SS..G310 helixtrans-61.8-23.1176.600000112.6F245 S246 D247F245-A249 HydrophobicContact CB-CB 4.31Å; F245-A249 HydrophobicContact CD1-CB 4.12Å; S246-A249 VanDerWaalsContact O-CB 3.32Å; S246-A249 WeakPolarHBondContact O-CB 3.11Å; S246-A249 PolarHBondContact O-N 3.38Å; S246-A249 VanDerWaalsContact O-N 3.09Å; D247-A249 VanDerWaalsContact C-N 3.26Å; D247-A249 PolarHBondContact O-N 3.12Å
250F83.3Confident75.7Confident7 Ų779.9 Ų79.93%0.03147%0.467CS..G310 helixtrans-103.58.9179.9-54-76.3000113.6G206 L209 R210 C213 F245 S246 D247 A248 H252 C253G206-F250 WeakPolarHBondContact O-CE1 3.46Å; L209-F250 HydrophobicContact CB-CE1 4.26Å; L209-F250 HydrophobicContact CB-CZ 4.44Å; R210-F250 HydrophobicContact CB-CB 4.28Å; R210-F250 HydrophobicContact CB-CD1 3.89Å; R210-F250 HydrophobicContact CB-CD2 4.12Å; R210-F250 HydrophobicContact CB-CE1 4.23Å; R210-F250 HydrophobicContact CB-CE2 4.44Å; R210-F250 HydrophobicContact CB-CG 3.83Å; R210-F250 HydrophobicContact CB-CZ 4.49Å; R210-F250 HydrophobicContact CG-CB 4.1Å; R210-F250 HydrophobicContact CG-CD2 3.99Å; R210-F250 HydrophobicContact CG-CG 3.95Å; C213-F250 HydrophobicContact CB-CE2 4.19Å; C213-F250 HydrophobicContact CB-CZ 4.38Å; F245-F250 HydrophobicContact CB-CE2 3.75Å; F245-F250 HydrophobicContact CB-CZ 3.8Å; F245-F250 HydrophobicContact CG-CZ 4.29Å; S246-F250 WeakPolarHBondContact O-CD2 3.45Å; D247-F250 PolarHBondContact O-N 3.42Å; A248-F250 PolarHBondContact O-N 3Å; A248-F250 VanDerWaalsContact O-N 3.17Å; F250-H252 PolarHBondContact O-N 3.5Å; F250-C253 WeakPolarHBondContact O-CB 3.34Å; F250-C253 PolarHBondContact O-N 2.89Å; F250-C253 VanDerWaalsContact O-N 3.07Å
251S76.1Confident74.5Confident72 Ų7282 Ų8250%0.50348%0.476SS..G310 helixtrans-58.6-33.2-177.851.30000113.8A248 C253A248-S251 VanDerWaalsContact O-CB 3.29Å; A248-S251 WeakPolarHBondContact O-CB 3.3Å; A248-S251 PolarHBondContact O-N 2.84Å; A248-S251 VanDerWaalsContact O-N 3.13Å; A248-S251 PolarHBondContact O-OG 2.82Å; S251-C253 VanDerWaalsContact C-N 3.31Å; S251-C253 PolarHBondContact O-N 1.98Å
252H77.7Confident73.5Confident164 Ų16483.4 Ų83.476%0.75948%0.481SS*.G310 helixtrans-83.2-6.7-180-61.481000113.5F250 A254F250-H252 PolarHBondContact O-N 3.5Å; H252-A254 VanDerWaalsContact C-N 3.28Å; H252-A254 PolarHBondContact O-N 3.16Å
253C77.4Confident72.5Confident45 Ų4586 Ų8630%0.30450%0.502SS..G310 helixtrans-78.7-10.7-178.1-66.80000114.2C207 F250 S251C207-C253 WeakPolarHBondContact CA-SG 2.98Å; C207-C253 HydrophobicContact CB-CB 3.43Å; C207-C253 VanDerWaalsContact CB-CB 3.43Å; C207-C253 WeakPolarHBondContact CB-SG 3.32Å; C207-C253 WeakPolarHBondContact SG-CA 3.34Å; C207-C253 WeakPolarHBondContact SG-CB 3.03Å; C207-C253 CovalentContact SG-SG 2.02Å; C207-C253 PolarHBondContact SG-SG 3.13Å; F250-C253 WeakPolarHBondContact O-CB 3.34Å; F250-C253 PolarHBondContact O-N 2.89Å; F250-C253 VanDerWaalsContact O-N 3.07Å; S251-C253 VanDerWaalsContact C-N 3.31Å; S251-C253 PolarHBondContact O-N 1.98Å
254A63.8Low71.9Confident64 Ų6486.5 Ų86.553%0.52951%0.505SS..G310 helixtrans-10623.2-173.200000113.3H252 P256H252-A254 VanDerWaalsContact C-N 3.28Å; H252-A254 PolarHBondContact O-N 3.16Å; A254-P256 WeakPolarHBondContact O-CD 3.3Å
255Q57.5Low71.2Confident160 Ų16087.8 Ų87.875%0.74851%0.506SS*.  trans-90.898167.7-67.5-150.4-38.500109.4L257Q255-L257 PolarHBondContact O-N 3.17Å
256P57.9Low70.6Confident111 Ų11194.5 Ų94.572%0.72153%0.531SS*.  trans-55.3133.4150.327.1-30.9000105.9A254 A258A254-P256 WeakPolarHBondContact O-CD 3.3Å; P256-A258 PolarHBondContact O-N 2.87Å
257L55.3Low70Confident127 Ų12794.1 Ų94.167%0.66553%0.532SS*.  trans-43.5116.9171-79.9151.9000107.4Q255 D261Q255-L257 PolarHBondContact O-N 3.17Å; L257-D261 HydrophobicContact CD2-CB 4Å
258A61.6Low69.9Low46 Ų4695.3 Ų95.338%0.3854%0.538SS..  trans-61.4151.4-177.700000107.9P256 R260 D261 L262P256-A258 PolarHBondContact O-N 2.87Å; A258-R260 HydrophobicContact CB-CB 4.48Å; A258-R260 CarbonylContact O-C 3.58Å; A258-R260 PolarHBondContact O-N 2.88Å; A258-D261 WeakPolarHBondContact CB-OD2 3.46Å; A258-D261 PolarHBondContact N-OD2 2.99Å; A258-D261 VanDerWaalsContact N-OD2 3.12Å; A258-D261 WeakPolarHBondContact O-CA 2.93Å; A258-D261 PolarHBondContact O-N 3.2Å; A258-L262 PolarHBondContact O-N 3.06Å
259L60.9Low69.7Low154 Ų15494 Ų9481%0.80653%0.53SS*.Hα-helixtrans-51-27.1172.5-115.5150.8000111.9A263L259-A263 VanDerWaalsContact O-CB 3.27Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 3.06Å
260R64.6Low69.8Low210 Ų21094.5 Ų94.579%0.79253%0.529SS*.Hα-helixtrans-68.4-44.1171-72.2-174.9173.7-169.9-1.8113.7A258 L262 A263 V264A258-R260 HydrophobicContact CB-CB 4.48Å; A258-R260 CarbonylContact O-C 3.58Å; A258-R260 PolarHBondContact O-N 2.88Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-A263 WeakPolarHBondContact O-CB 3.34Å; R260-A263 PolarHBondContact O-N 3.35Å; R260-V264 VanDerWaalsContact O-CG2 3.31Å; R260-V264 WeakPolarHBondContact O-CG2 3.45Å; R260-V264 PolarHBondContact O-N 3Å
261D65.9Low69.8Low70 Ų7096.5 Ų96.537%0.37455%0.547SS..Hα-helixtrans-69.7-36.2178-55.3-40.6000110.9L257 A258 V264 V265L257-D261 HydrophobicContact CD2-CB 4Å; A258-D261 WeakPolarHBondContact CB-OD2 3.46Å; A258-D261 PolarHBondContact N-OD2 2.99Å; A258-D261 VanDerWaalsContact N-OD2 3.12Å; A258-D261 WeakPolarHBondContact O-CA 2.93Å; A258-D261 PolarHBondContact O-N 3.2Å; D261-V264 PolarHBondContact O-N 2.71Å; D261-V265 WeakPolarHBondContact O-CG2 3.43Å; D261-V265 PolarHBondContact O-N 3.39Å
262L69.3Low70.3Confident80 Ų8096.8 Ų96.842%0.41955%0.549SS..Hα-helixtrans-62-47.7169.5-151.583.8000110.2A258 R260 V264 V265 Y266A258-L262 PolarHBondContact O-N 3.06Å; R260-L262 VanDerWaalsContact C-N 3.34Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 2.93Å; L262-V265 PolarHBondContact O-N 3.23Å; L262-Y266 HydrophobicContact CD1-CD2 4.38Å; L262-Y266 HydrophobicContact CD1-CE2 3.92Å; L262-Y266 HydrophobicContact CD2-CD2 4.42Å; L262-Y266 HydrophobicContact CD2-CE2 4.27Å; L262-Y266 HydrophobicContact CG-CD2 3.77Å; L262-Y266 HydrophobicContact CG-CE2 3.74Å; L262-Y266 WeakPolarHBondContact O-CB 3.43Å; L262-Y266 VanDerWaalsContact O-CD2 3.25Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 3.38Å
263A68.8Low70.7Confident54 Ų5495.5 Ų95.545%0.44654%0.542SS..Hα-helixtrans-60.5-37.5176.400000112.6L259 R260 Y266 A267L259-A263 VanDerWaalsContact O-CB 3.27Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 3.06Å; R260-A263 WeakPolarHBondContact O-CB 3.34Å; R260-A263 PolarHBondContact O-N 3.35Å; A263-Y266 PolarHBondContact O-N 2.93Å; A263-A267 WeakPolarHBondContact O-CA 3.32Å; A263-A267 WeakPolarHBondContact O-CB 3.32Å; A263-A267 PolarHBondContact O-N 3.32Å
264V71.8Confident71.3Confident78 Ų7898.5 Ų98.547%0.47355%0.554SS.*Hα-helixtrans-60.5-49.5173.6163.50000110.4R260 D261 L262 Y266 L268R260-V264 VanDerWaalsContact O-CG2 3.31Å; R260-V264 WeakPolarHBondContact O-CG2 3.45Å; R260-V264 PolarHBondContact O-N 3Å; D261-V264 PolarHBondContact O-N 2.71Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 2.93Å; V264-Y266 PolarHBondContact O-N 2.95Å; V264-L268 HydrophobicContact CB-CD1 4.21Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG2-CD1 4.33Å; V264-L268 VanDerWaalsContact O-CB 3.3Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 PolarHBondContact O-N 3.35Å
265V70.1Confident72.6Confident98 Ų98100.4 Ų100.459%0.59456%0.559SS**Hα-helixtrans-64.4-41.8179.9174.40000111.9D261 L262D261-V265 WeakPolarHBondContact O-CG2 3.43Å; D261-V265 PolarHBondContact O-N 3.39Å; L262-V265 PolarHBondContact O-N 3.23Å
266Y72.5Confident74.2Confident168 Ų16896.1 Ų96.166%0.65955%0.546SS*.Hα-helixtrans-84.7-17-177.7-78.1-86.6000114.6L262 A263 V264 P270L262-Y266 HydrophobicContact CD1-CD2 4.38Å; L262-Y266 HydrophobicContact CD1-CE2 3.92Å; L262-Y266 HydrophobicContact CD2-CD2 4.42Å; L262-Y266 HydrophobicContact CD2-CE2 4.27Å; L262-Y266 HydrophobicContact CG-CD2 3.77Å; L262-Y266 HydrophobicContact CG-CE2 3.74Å; L262-Y266 WeakPolarHBondContact O-CB 3.43Å; L262-Y266 VanDerWaalsContact O-CD2 3.25Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 3.38Å; A263-Y266 PolarHBondContact O-N 2.93Å; V264-Y266 PolarHBondContact O-N 2.95Å; Y266-P270 WeakPolarHBondContact O-CD 3.5Å; Y266-P270 WeakPolarHBondContact O-CG 3.45Å
267A73.6Confident75.9Confident60 Ų6094.8 Ų94.850%0.49653%0.533SS..Hα-helixtrans-99.4-46.6177.300000112.6A263 A271A263-A267 WeakPolarHBondContact O-CA 3.32Å; A263-A267 WeakPolarHBondContact O-CB 3.32Å; A263-A267 PolarHBondContact O-N 3.32Å; A267-A271 WeakPolarHBondContact O-CB 3.27Å; A267-A271 PolarHBondContact O-N 3.15Å; A267-A271 VanDerWaalsContact O-N 3.12Å
268L76.7Confident77.6Confident110 Ų11091.1 Ų91.158%0.57652%0.521SS*.Hα-helixtrans-75.3-34-175.7-76.9148000112.5V264 S272V264-L268 HydrophobicContact CB-CD1 4.21Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG2-CD1 4.33Å; V264-L268 VanDerWaalsContact O-CB 3.3Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 PolarHBondContact O-N 3.35Å; L268-S272 VanDerWaalsContact O-CB 3.25Å; L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 2.88Å; L268-S272 PolarHBondContact O-OG 2.8Å
269G76.6Confident79.1Confident39 Ų3991.2 Ų91.240%0.40252%0.521SS..Hα-helixtrans-59.2-60.6175.700000112A271 S272 F273G269-A271 PolarHBondContact O-N 3.45Å; G269-S272 PolarHBondContact O-N 2.85Å; G269-S272 PolarHBondContact O-OG 3.43Å; G269-F273 PolarHBondContact O-N 2.89Å; G269-F273 VanDerWaalsContact O-N 3.15Å
270P85.2Confident80.5Confident68 Ų6887.7 Ų87.744%0.44251%0.509SS..Hα-helixtrans-64.5-37.9178.9-25.537.3000113.6Y266 F273 L274Y266-P270 WeakPolarHBondContact O-CD 3.5Å; Y266-P270 WeakPolarHBondContact O-CG 3.45Å; P270-F273 PolarHBondContact O-N 3.04Å; P270-L274 WeakPolarHBondContact O-CB 3.25Å; P270-L274 VanDerWaalsContact O-CG 3.25Å; P270-L274 WeakPolarHBondContact O-CG 3.38Å; P270-L274 PolarHBondContact O-N 3.46Å
271A83.4Confident81.8Confident49 Ų4983.1 Ų83.141%0.40550%0.5SS..Hα-helixtrans-64.7-44.1178.700000112.2A267 G269 F273 L274 V275A267-A271 WeakPolarHBondContact O-CB 3.27Å; A267-A271 PolarHBondContact O-N 3.15Å; A267-A271 VanDerWaalsContact O-N 3.12Å; G269-A271 PolarHBondContact O-N 3.45Å; A271-F273 VanDerWaalsContact C-N 3.33Å; A271-F273 PolarHBondContact O-N 2.96Å; A271-L274 PolarHBondContact O-N 2.83Å; A271-V275 WeakPolarHBondContact O-CB 3.46Å; A271-V275 VanDerWaalsContact O-CG2 3.27Å; A271-V275 WeakPolarHBondContact O-CG2 3.3Å; A271-V275 PolarHBondContact O-N 2.6Å
272S84.8Confident83.1Confident77 Ų7784.7 Ų84.754%0.53851%0.511SS..Hα-helixtrans-64-38.5176.662.20000112.2L268 G269 S276L268-S272 VanDerWaalsContact O-CB 3.25Å; L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 2.88Å; L268-S272 PolarHBondContact O-OG 2.8Å; G269-S272 PolarHBondContact O-N 2.85Å; G269-S272 PolarHBondContact O-OG 3.43Å; S272-S276 WeakPolarHBondContact O-CB 3.4Å; S272-S276 PolarHBondContact O-N 3.37Å
273F87Confident84.1Confident138 Ų13886.6 Ų86.661%0.60552%0.521SS*.Hα-helixtrans-62.2-47173.8-179.6-98.1000112.2G269 P270 A271 S276 L277G269-F273 PolarHBondContact O-N 2.89Å; G269-F273 VanDerWaalsContact O-N 3.15Å; P270-F273 PolarHBondContact O-N 3.04Å; A271-F273 VanDerWaalsContact C-N 3.33Å; A271-F273 PolarHBondContact O-N 2.96Å; F273-S276 PolarHBondContact O-N 2.8Å; F273-L277 WeakPolarHBondContact O-CB 3.1Å; F273-L277 PolarHBondContact O-N 3.02Å
274L89.8Confident84.9Confident107 Ų10785.6 Ų85.656%0.5652%0.516SS*.Hα-helixtrans-66.1-39.6179.9-70.6173.5000112.5P270 A271 L277 A278P270-L274 WeakPolarHBondContact O-CB 3.25Å; P270-L274 VanDerWaalsContact O-CG 3.25Å; P270-L274 WeakPolarHBondContact O-CG 3.38Å; P270-L274 PolarHBondContact O-N 3.46Å; A271-L274 PolarHBondContact O-N 2.83Å; L274-L277 PolarHBondContact O-N 3.43Å; L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 3.25Å
275V91.6Very high85.5Confident105 Ų10585 Ų8564%0.63652%0.516SS*.Hα-helixtrans-63.6-43.4175.5170.30000110.8A271 A278 A279A271-V275 WeakPolarHBondContact O-CB 3.46Å; A271-V275 VanDerWaalsContact O-CG2 3.27Å; A271-V275 WeakPolarHBondContact O-CG2 3.3Å; A271-V275 PolarHBondContact O-N 2.6Å; V275-A278 PolarHBondContact O-N 2.8Å; V275-A279 WeakPolarHBondContact O-CB 3.41Å; V275-A279 PolarHBondContact O-N 3.35Å
276S90.9Very high86.3Confident69 Ų6982 Ų8248%0.48351%0.505SS..Hα-helixtrans-63.7-42.2176.5-171.10000112S272 F273 A279 C280S272-S276 WeakPolarHBondContact O-CB 3.4Å; S272-S276 PolarHBondContact O-N 3.37Å; F273-S276 PolarHBondContact O-N 2.8Å; S276-A279 PolarHBondContact O-N 2.95Å; S276-C280 WeakPolarHBondContact O-CB 3.35Å; S276-C280 PolarHBondContact O-N 2.98Å; S276-C280 PolarHBondContact O-SG 2.88Å; S276-C280 VanDerWaalsContact O-SG 3.41Å
277L92.6Very high86.7Confident83 Ų8379.2 Ų79.244%0.43550%0.501SS..Hα-helixtrans-61.9-46175.9-175.768.9000111.7F273 L274 C280 L281F273-L277 WeakPolarHBondContact O-CB 3.1Å; F273-L277 PolarHBondContact O-N 3.02Å; L274-L277 PolarHBondContact O-N 3.43Å; L277-C280 PolarHBondContact O-N 3.46Å; L277-L281 HydrophobicContact CG-CD1 4.28Å; L277-L281 WeakPolarHBondContact O-CG 3.29Å; L277-L281 PolarHBondContact O-N 2.96Å
278A92.3Very high87Confident51 Ų5180.6 Ų80.642%0.42150%0.503SS..Hα-helixtrans-62-44.5177.700000111.6L274 V275 C280 L281 V282L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 3.25Å; V275-A278 PolarHBondContact O-N 2.8Å; A278-C280 VanDerWaalsContact C-N 3.35Å; A278-C280 PolarHBondContact O-N 2.95Å; A278-L281 PolarHBondContact O-N 3.39Å; A278-V282 WeakPolarHBondContact O-CG2 3.48Å; A278-V282 PolarHBondContact O-N 3.41Å
279A92.4Very high87.2Confident47 Ų4777.5 Ų77.539%0.38849%0.494SS..Hα-helixtrans-59.7-44.6175.900000111.7V275 S276 L281 V282 L283V275-A279 WeakPolarHBondContact O-CB 3.41Å; V275-A279 PolarHBondContact O-N 3.35Å; S276-A279 PolarHBondContact O-N 2.95Å; A279-L281 PolarHBondContact O-N 3.45Å; A279-V282 PolarHBondContact O-N 3.31Å; A279-L283 WeakPolarHBondContact O-CB 3.44Å; A279-L283 VanDerWaalsContact O-CG 3.29Å; A279-L283 WeakPolarHBondContact O-CG 3.33Å; A279-L283 PolarHBondContact O-N 2.97Å
280C91.4Very high87.2Confident81 Ų8179.3 Ų79.355%0.54750%0.499SS..Hα-helixtrans-60.4-42.6175.5-77.90000112.7S276 L277 A278 G284S276-C280 WeakPolarHBondContact O-CB 3.35Å; S276-C280 PolarHBondContact O-N 2.98Å; S276-C280 PolarHBondContact O-SG 2.88Å; S276-C280 VanDerWaalsContact O-SG 3.41Å; L277-C280 PolarHBondContact O-N 3.46Å; A278-C280 VanDerWaalsContact C-N 3.35Å; A278-C280 PolarHBondContact O-N 2.95Å; C280-G284 PolarHBondContact O-N 3.24Å
281L91.5Very high86.8Confident114 Ų11484.5 Ų84.560%0.59751%0.51SS*.Hα-helixtrans-66.8-40.3178.1-71171.3000112.2L277 A278 A279 S285L277-L281 HydrophobicContact CG-CD1 4.28Å; L277-L281 WeakPolarHBondContact O-CG 3.29Å; L277-L281 PolarHBondContact O-N 2.96Å; A278-L281 PolarHBondContact O-N 3.39Å; A279-L281 PolarHBondContact O-N 3.45Å; L281-S285 VanDerWaalsContact O-CB 3.31Å; L281-S285 WeakPolarHBondContact O-CB 3.33Å; L281-S285 PolarHBondContact O-N 3.38Å; L281-S285 PolarHBondContact O-OG 3.44Å
282V92Very high86.5Confident102 Ų10284.4 Ų84.462%0.61851%0.509SS*.Hα-helixtrans-66.4-45.9176.9172.40000111A278 A279 S285 G286A278-V282 WeakPolarHBondContact O-CG2 3.48Å; A278-V282 PolarHBondContact O-N 3.41Å; A279-V282 PolarHBondContact O-N 3.31Å; V282-S285 WeakPolarHBondContact CA-OG 3.3Å; V282-S285 PolarHBondContact O-N 2.92Å; V282-S285 PolarHBondContact O-OG 2.89Å; V282-G286 PolarHBondContact O-N 2.97Å
283L90.2Very high85.9Confident120 Ų12089.3 Ų89.363%0.62852%0.516SS*.Hα-helixtrans-64.5-42.7177.1-70.2170.5000111.4A279 G286 L287A279-L283 WeakPolarHBondContact O-CB 3.44Å; A279-L283 VanDerWaalsContact O-CG 3.29Å; A279-L283 WeakPolarHBondContact O-CG 3.33Å; A279-L283 PolarHBondContact O-N 2.97Å; L283-G286 PolarHBondContact O-N 3.44Å; L283-L287 WeakPolarHBondContact O-CB 3.3Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.32Å; L283-L287 PolarHBondContact O-N 3Å
284G86Confident85.2Confident33 Ų3392.1 Ų92.134%0.3452%0.522SS..Hα-helixtrans-63.3-44.1176.400000113.2C280 L287 T288C280-G284 PolarHBondContact O-N 3.24Å; G284-L287 PolarHBondContact O-N 3.46Å; G284-T288 WeakPolarHBondContact O-CG2 3.26Å; G284-T288 PolarHBondContact O-N 2.95Å; G284-T288 PolarHBondContact O-OG1 2.9Å
285S85.5Confident84.3Confident66 Ų6696.3 Ų96.346%0.46253%0.53SS..Hα-helixtrans-67.3-38.9176.156.10000112.3L281 V282 T288 A289L281-S285 VanDerWaalsContact O-CB 3.31Å; L281-S285 WeakPolarHBondContact O-CB 3.33Å; L281-S285 PolarHBondContact O-N 3.38Å; L281-S285 PolarHBondContact O-OG 3.44Å; V282-S285 WeakPolarHBondContact CA-OG 3.3Å; V282-S285 PolarHBondContact O-N 2.92Å; V282-S285 PolarHBondContact O-OG 2.89Å; S285-T288 VanDerWaalsContact CA-OG1 3.3Å; S285-T288 WeakPolarHBondContact CA-OG1 3.41Å; S285-T288 PolarHBondContact O-N 3.43Å; S285-T288 PolarHBondContact O-OG1 3.46Å; S285-A289 VanDerWaalsContact O-CB 3.3Å; S285-A289 WeakPolarHBondContact O-CB 3.44Å; S285-A289 PolarHBondContact O-N 2.89Å
286G85.7Confident83.1Confident35 Ų35100.4 Ų100.436%0.36153%0.534SS..Hα-helixtrans-61.9-45.4173.300000112.6V282 L283 A289 C290V282-G286 PolarHBondContact O-N 2.97Å; L283-G286 PolarHBondContact O-N 3.44Å; G286-A289 PolarHBondContact O-N 2.93Å; G286-C290 VanDerWaalsContact O-CB 3.31Å; G286-C290 WeakPolarHBondContact O-CB 3.35Å; G286-C290 PolarHBondContact O-N 3.39Å; G286-C290 PolarHBondContact O-SG 2.87Å
287L80.6Confident81.9Confident109 Ų109106.3 Ų106.357%0.57155%0.546SS*.Hα-helixtrans-64.6-41.7177.6-73.9170.3000112.3L283 G284 C290 R291L283-L287 WeakPolarHBondContact O-CB 3.3Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.32Å; L283-L287 PolarHBondContact O-N 3Å; G284-L287 PolarHBondContact O-N 3.46Å; L287-C290 PolarHBondContact O-N 3.39Å; L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 VanDerWaalsContact O-CG 3.31Å; L287-R291 WeakPolarHBondContact O-CG 3.48Å; L287-R291 PolarHBondContact O-N 3.31Å
288T81.6Confident80.5Confident90 Ų90106.5 Ų106.555%0.55255%0.554SS**Hα-helixtrans-67.3-41.717750.60000111.8G284 S285 R291 A292G284-T288 WeakPolarHBondContact O-CG2 3.26Å; G284-T288 PolarHBondContact O-N 2.95Å; G284-T288 PolarHBondContact O-OG1 2.9Å; S285-T288 VanDerWaalsContact CA-OG1 3.3Å; S285-T288 WeakPolarHBondContact CA-OG1 3.41Å; S285-T288 PolarHBondContact O-N 3.43Å; S285-T288 PolarHBondContact O-OG1 3.46Å; T288-R291 PolarHBondContact O-N 2.88Å; T288-A292 WeakPolarHBondContact O-CB 3.31Å; T288-A292 PolarHBondContact O-N 3.35Å
289A79.4Confident79Confident45 Ų45113.4 Ų113.437%0.37257%0.569SS.*Hα-helixtrans-63.6-42.1174.100000112.3S285 G286 A292 R293S285-A289 VanDerWaalsContact O-CB 3.3Å; S285-A289 WeakPolarHBondContact O-CB 3.44Å; S285-A289 PolarHBondContact O-N 2.89Å; G286-A289 PolarHBondContact O-N 2.93Å; A289-A292 PolarHBondContact O-N 2.92Å; A289-R293 WeakPolarHBondContact O-CB 3.43Å; A289-R293 WeakPolarHBondContact O-CG 3.31Å; A289-R293 PolarHBondContact O-N 3.47Å
290C78.1Confident77.4Confident76 Ų76115.8 Ų115.851%0.51458%0.578SS.*Hα-helixtrans-63.1-42.6174.7-83.40000112.2G286 L287 R293 R294G286-C290 VanDerWaalsContact O-CB 3.31Å; G286-C290 WeakPolarHBondContact O-CB 3.35Å; G286-C290 PolarHBondContact O-N 3.39Å; G286-C290 PolarHBondContact O-SG 2.87Å; L287-C290 PolarHBondContact O-N 3.39Å; C290-R293 PolarHBondContact O-N 2.88Å; C290-R294 WeakPolarHBondContact O-CB 3.43Å; C290-R294 PolarHBondContact O-N 2.85Å
291R76.9Confident75.8Confident178 Ų178115.5 Ų115.567%0.67258%0.582SS**Hα-helixtrans-62.7-42.1173.7-76.1176.6177.6178.10.3111.6L287 T288 R294 R295L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 VanDerWaalsContact O-CG 3.31Å; L287-R291 WeakPolarHBondContact O-CG 3.48Å; L287-R291 PolarHBondContact O-N 3.31Å; T288-R291 PolarHBondContact O-N 2.88Å; R291-R294 PolarHBondContact O-N 3.44Å; R291-R295 WeakPolarHBondContact O-CB 3.42Å; R291-R295 WeakPolarHBondContact O-CG 3.46Å; R291-R295 PolarHBondContact O-N 3.03Å
292A75.6Confident74.1Confident47 Ų47115.8 Ų115.839%0.38859%0.588SS.*Hα-helixtrans-64.7-42.4176.100000112.2T288 A289 R295 R296T288-A292 WeakPolarHBondContact O-CB 3.31Å; T288-A292 PolarHBondContact O-N 3.35Å; A289-A292 PolarHBondContact O-N 2.92Å; A292-R295 PolarHBondContact O-N 2.92Å; A292-R296 WeakPolarHBondContact O-CG 3.37Å; A292-R296 PolarHBondContact O-N 3.46Å
293R73.7Confident72.4Confident180 Ų180117.8 Ų117.868%0.67960%0.595SS**Hα-helixtrans-65-41.9175.1-74.4179.1-178-169.61.5112.1A289 C290 R296 R297A289-R293 WeakPolarHBondContact O-CB 3.43Å; A289-R293 WeakPolarHBondContact O-CG 3.31Å; A289-R293 PolarHBondContact O-N 3.47Å; C290-R293 PolarHBondContact O-N 2.88Å; R293-R296 PolarHBondContact O-N 3.44Å; R293-R297 WeakPolarHBondContact O-CB 3.46Å; R293-R297 WeakPolarHBondContact O-CG 3.37Å; R293-R297 PolarHBondContact O-N 3.11Å
294R71.8Confident70.3Confident196 Ų196122.9 Ų122.974%0.7461%0.606SS**Hα-helixtrans-61.1-46.7172.6-82.1-170.3179.7-146.52.1111.4C290 R291 R296 R297 C298C290-R294 WeakPolarHBondContact O-CB 3.43Å; C290-R294 PolarHBondContact O-N 2.85Å; R291-R294 PolarHBondContact O-N 3.44Å; R294-R296 PolarHBondContact O-N 2.95Å; R294-R297 PolarHBondContact O-N 3.23Å; R294-C298 PolarHBondContact O-N 3.18Å; R294-C298 PolarHBondContact O-SG 3.33Å
295R70Confident68.7Low195 Ų195126.5 Ų126.574%0.73662%0.624SS**Hα-helixtrans-60-41.9176.2-75.9-178.9178.4-164.8-0.2112.5R291 A292 R299R291-R295 WeakPolarHBondContact O-CB 3.42Å; R291-R295 WeakPolarHBondContact O-CG 3.46Å; R291-R295 PolarHBondContact O-N 3.03Å; A292-R295 PolarHBondContact O-N 2.92Å; R295-R299 WeakPolarHBondContact O-CG 3.47Å; R295-R299 PolarHBondContact O-N 2.89Å; R295-R299 VanDerWaalsContact O-N 3.11Å
296R67.9Low67Low191 Ų191129.6 Ų129.672%0.72164%0.642SS**Hα-helixtrans-64.8-44.1174.8-74.8-174.7-176.6-160.12112A292 R293 R294 R299 T300A292-R296 WeakPolarHBondContact O-CG 3.37Å; A292-R296 PolarHBondContact O-N 3.46Å; R293-R296 PolarHBondContact O-N 3.44Å; R294-R296 PolarHBondContact O-N 2.95Å; R296-R299 PolarHBondContact O-N 2.91Å; R296-T300 PolarHBondContact O-N 2.9Å; R296-T300 PolarHBondContact O-OG1 2.92Å
297R65.5Low65.1Low194 Ų194139.4 Ų139.473%0.73267%0.668SS**Hα-helixtrans-62.3-41.2176.6-79.1-176.3178.8-178.6-0.8112.8R293 R294 T300 A301R293-R297 WeakPolarHBondContact O-CB 3.46Å; R293-R297 WeakPolarHBondContact O-CG 3.37Å; R293-R297 PolarHBondContact O-N 3.11Å; R294-R297 PolarHBondContact O-N 3.23Å; R297-T300 WeakPolarHBondContact CA-OG1 3.47Å; R297-T300 PolarHBondContact O-N 3.43Å; R297-T300 PolarHBondContact O-OG1 3.43Å; R297-A301 WeakPolarHBondContact O-CB 3.42Å; R297-A301 PolarHBondContact O-N 3.26Å
298C63.2Low63.6Low87 Ų87139.5 Ų139.559%0.58868%0.675SS**Hα-helixtrans-62.4-41.8173.7-71.30000111.8R294 T300 A301 T302R294-C298 PolarHBondContact O-N 3.18Å; R294-C298 PolarHBondContact O-SG 3.33Å; C298-T300 VanDerWaalsContact C-N 3.34Å; C298-T300 PolarHBondContact O-N 3.39Å; C298-A301 PolarHBondContact O-N 3.31Å; C298-T302 PolarHBondContact O-N 3Å; C298-T302 PolarHBondContact O-OG1 3.28Å
299R59.1Low61.9Low196 Ų196141 Ų14174%0.7469%0.687SS**Hα-helixtrans-64.5-33.6176.3-78-179.1169.1-179.4-4.4113.5R295 R296 T302R295-R299 WeakPolarHBondContact O-CG 3.47Å; R295-R299 PolarHBondContact O-N 2.89Å; R295-R299 VanDerWaalsContact O-N 3.11Å; R296-R299 PolarHBondContact O-N 2.91Å; R299-T302 PolarHBondContact O-OG1 3.24Å
300T59Low60.3Low96 Ų96146.6 Ų146.659%0.58971%0.71SS**Hα-helixtrans-79.8-24.8175.748.20000113.3R296 R297 C298R296-T300 PolarHBondContact O-N 2.9Å; R296-T300 PolarHBondContact O-OG1 2.92Å; R297-T300 WeakPolarHBondContact CA-OG1 3.47Å; R297-T300 PolarHBondContact O-N 3.43Å; R297-T300 PolarHBondContact O-OG1 3.43Å; C298-T300 VanDerWaalsContact C-N 3.34Å; C298-T300 PolarHBondContact O-N 3.39Å
301A58.4Low58.8Low75 Ų75148.4 Ų148.462%0.6272%0.721SS**Hα-helixtrans-75.2-28.317800000112.9R297 C298 L303R297-A301 WeakPolarHBondContact O-CB 3.42Å; R297-A301 PolarHBondContact O-N 3.26Å; C298-A301 PolarHBondContact O-N 3.31Å; A301-L303 PolarHBondContact O-N 3.34Å
302T56.2Low57.4Low120 Ų120147.5 Ų147.574%0.73673%0.73SS**THydrogen-bonded Turntrans-73.9-1.1175.444.60000114.5C298 R299C298-T302 PolarHBondContact O-N 3Å; C298-T302 PolarHBondContact O-OG1 3.28Å; R299-T302 PolarHBondContact O-OG1 3.24Å
303L56.5Low56.2Low145 Ų145150 Ų15076%0.75974%0.742SS**THydrogen-bonded Turntrans-115.89.5-172.9-100.1151.1000114.3A301A301-L303 PolarHBondContact O-N 3.34Å
304R46.4Very low54.6Low227 Ų227149.2 Ų149.286%0.85775%0.751SS**PPolyproline II helixtrans-102.3126.2175.6-106.9-178.2178.2174.7-0.5111.5
305P51.2Low53.6Low109 Ų109145.1 Ų145.171%0.70875%0.75SS**PPolyproline II helixtrans-70.6150.8175.529.7-32.4000110.8R307P305-R307 PolarHBondContact O-N 3.47Å
306P50.3Low52.3Low130 Ų130143.1 Ų143.184%0.84475%0.754SS**PPolyproline II helixtrans-66132.4178.926.9-31.6000110.2
307R46.3Very low51.6Low241 Ų241138.7 Ų138.791%0.90975%0.75SS**PPolyproline II helixtrans-81.8141.3168-87.7-176.5174.4168.8-4.4109.8P305P305-R307 PolarHBondContact O-N 3.47Å
308P48.8Very low50.5Low112 Ų112138.2 Ų138.273%0.72776%0.755SS**PPolyproline II helixtrans-70.5158.4179.829.8-33.7000112
309P46.2Very low49.3Very low122 Ų122137.9 Ų137.979%0.79277%0.767SS**PPolyproline II helixtrans-79.3131.9-175.731.9-31.5000110.7
310D44.5Very low48.3Very low161 Ų161134.2 Ų134.286%0.86177%0.771SS**PPolyproline II helixtrans-87.9144162.8-86.5-35000110.6
311P47.3Very low47.4Very low114 Ų114134.4 Ų134.474%0.7478%0.783SS**PPolyproline II helixtrans-95.4126-164.115.44.6000111.9
312N47.7Very low46.5Very low160 Ų160136.4 Ų136.486%0.85679%0.792SS**  trans77.9140.1141.8-98.49000122.5
313P49.8Very low46.3Very low100 Ų100136.7 Ų136.765%0.64980%0.796SS**  trans-91.7163.3-17941-32.8000110.3
314D40.3Very low45.4Very low162 Ų162134.5 Ų134.587%0.86680%0.799SS**  trans-106152.2156.8-93.9-30.4000110.6
315P50.6Low45Very low110 Ų110131 Ų13171%0.71480%0.797SS**  trans-105.6163.6-150.912.111.3000113.8
316D43Very low44.9Very low154 Ų154131.5 Ų131.582%0.82480%0.8SS**  trans-37.5-178.8160.7-64.3-49.6000115.3
317P53.2Low44.2Very low97 Ų97128.9 Ų128.963%0.6380%0.797SS**  cis-150.8177.518.621.19.3000118.1
318H42.1Very low44.3Very low184 Ų184123.2 Ų123.285%0.85279%0.794SS**  trans127125.2137.4-68.5-61.8000115.9
319G38.6Very low44.8Very low81 Ų81123.9 Ų123.984%0.83580%0.799SS**  trans158.843.1165.100000116.4
320S38.7Very low44.6Very low119 Ų119122.7 Ų122.783%0.83280%0.799SS**  trans-64.8135.217342.30000113.6
321A38.5Very low44.4Very low100 Ų100120 Ų12083%0.82680%0.799SS**  trans-168.5109.7140.400000111.7
322S41.3Very low44.2Very low117 Ų117119 Ų11982%0.81880%0.8SS**  trans-81.4161.7151.1-62.70000109
323P50.3Low44.1Very low126 Ų126115.8 Ų115.882%0.81880%0.796SS**  -148.4159.39235.4-16.9000116.6
324A37.9Very low43.8Very low98 Ų98120 Ų12081%0.8181%0.807SS**  trans69.4112.6142.100000122.6
325D39.5Very low44.2Very low155 Ų155120.7 Ų120.783%0.82984%0.835SS**  trans-51.8-177.5147.1-101.9-28.1000114.5
326P49.1Very low43.8Very low119 Ų119121.2 Ų121.277%0.77384%0.841SS**  cis-133.9170.6-36.534.9-17.4000111.6
327G35.6Very low43.9Very low75 Ų75119.5 Ų119.577%0.77384%0.842SS**  trans-16283.3173.700000114.4
328S48.1Very low43.4Very low122 Ų122120.7 Ų120.785%0.85385%0.854SS**  trans-76.2151.5156.9-64.70000110.4
329P58.8Low43.5Very low126 Ų126117 Ų11782%0.81885%0.854SS**  trans-118130.6140.332.2-22.6000110.9
330A41.6Very low43.8Very low96 Ų96119.3 Ų119.379%0.79386%0.855SS**  trans-81.8162.9152.400000109.5
331A40.9Very low44.1Very low105 Ų105119.3 Ų119.387%0.86886%0.857SS**  trans115.6131.5151.700000118
332A43.2Very low44.5Very low92 Ų92120.6 Ų120.676%0.7686%0.859SS**  trans118.396.9158.300000110.9
333A44.1Very low44.7Very low94 Ų94120.9 Ų120.978%0.77786%0.862SS**  cis52.697.649.100000112.9
334Q45.4Very low44.3Very low188 Ų188120.5 Ų120.588%0.87987%0.866SS**  trans-170.7108.1149.9-99.3160.739.800104.6
335A47.2Very low44.9Very low176 Ų176122.5 Ų122.5100%1.45587%0.871SS**  91.8088.300000110.3

Retrieved 335 of 335 residues in 73.9 ms (Link to these results)