A0A087XJZ4_POEFO Loading...

E3 ubiquitin-protein ligase MARCHF2

AlphaFold DB , UniProt , Accession A0A087XJZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low33.3Very low231 Ų231129.6 Ų129.6100%1.13884%0.84SS**  084.80-65169.8162.700105.9
2T34.1Very low32.8Very low128 Ų128128 Ų12879%0.78583%0.834SS**  4512066.972.20000108.9
3T29.2Very low32.9Very low134 Ų134128.5 Ų128.582%0.82282%0.824SS**  cis-166.9147.440.440.40000107.5
4G29.1Very low32.7Very low84 Ų84127.9 Ų127.987%0.86682%0.824SS**  86.6139.792.700000110.8
5G29.1Very low32.5Very low75 Ų75128.7 Ų128.777%0.77382%0.818SS**  cis170.4147.3700000105.8
6C37.7Very low32.4Very low127 Ų127128.3 Ų128.386%0.85882%0.819SS**  trans-56.1144.6165.5-62.30000110.3
7C33.2Very low32.3Very low117 Ų117127 Ų12779%0.79182%0.823SS**  trans178.7132.5147.5-94.10000111.9
8H29.5Very low32.5Very low174 Ų174124.3 Ų124.381%0.80682%0.822SS**  trans83.9108.7148-84-88.1000122
9L36.2Very low32.4Very low159 Ų159122.9 Ų122.983%0.83282%0.821SS**  trans-62.2147.4132.5-98.985.5000108.8
10P35.8Very low32.4Very low120 Ų120122.2 Ų122.278%0.77983%0.825SS**  -146.2170.280.732.5-10.5000114.5
11G36.2Very low32.5Very low77 Ų77118.7 Ų118.779%0.79481%0.81SS**  trans-62.1158.6-165.500000117.4
12S26.4Very low32.5Very low110 Ų110115.8 Ų115.877%0.76980%0.796SS**  trans-159.1142.8149.4-177.20000109.5
13L35Very low32.6Very low134 Ų134121 Ų12170%0.70280%0.801SS**  trans-34.2132.3-177.3-8066.6000116.1
14C30.5Very low32.9Very low121 Ų121123 Ų12382%0.81880%0.798SS**  trans-103.5103.6142.9-52.20000106.6C16C14-C16 PolarHBondContact O-N 3.31Å; C14-C16 VanDerWaalsContact O-N 3.1Å
15D29.6Very low33.4Very low139 Ų139125.9 Ų125.974%0.74379%0.792SS**  trans-58.6109.7168.4-76.5-50.9000109.5
16C31Very low34.2Very low123 Ų123127 Ų12783%0.83178%0.784SS**  trans-120.890158.5-770000106.8C14 G18C14-C16 PolarHBondContact O-N 3.31Å; C14-C16 VanDerWaalsContact O-N 3.1Å; C16-G18 PolarHBondContact O-N 3.18Å
17A30Very low34.2Very low106 Ų106129.7 Ų129.788%0.87678%0.784SS**  trans-61.412716900000109.7
18G35.5Very low34.3Very low79 Ų79132.2 Ų132.281%0.81478%0.784SS**  trans92.775.2149.600000117.3C16C16-G18 PolarHBondContact O-N 3.18Å
19A31.6Very low34.7Very low98 Ų98128.9 Ų128.981%0.8179%0.786SS**  trans-158.792136.200000108.3G21A19-G21 VanDerWaalsContact C-N 3.3Å; A19-G21 PolarHBondContact O-N 3.42Å
20A31.7Very low34.6Very low107 Ų107125 Ų12588%0.88479%0.786SS**  trans-62.497.6166.200000107.6M22A20-M22 PolarHBondContact O-N 3.01Å
21G35Very low34.5Very low50 Ų50122.9 Ų122.952%0.51579%0.785SS.*  trans-60.7104170.400000108.3A19 W23A19-G21 VanDerWaalsContact C-N 3.3Å; A19-G21 PolarHBondContact O-N 3.42Å; G21-W23 PolarHBondContact O-N 3.33Å
22M35.7Very low34.8Very low170 Ų170129.4 Ų129.484%0.83780%0.795SS**  trans-66.897.7175.4-171.985.670.100108.3A20 K24A20-M22 PolarHBondContact O-N 3.01Å; M22-K24 VanDerWaalsContact C-N 3.33Å; M22-K24 PolarHBondContact O-N 3.3Å
23W37Very low35.5Very low238 Ų238127.6 Ų127.690%0.90279%0.794SS**  trans-67.395.4165.8-1.173.9000107.5G21G21-W23 PolarHBondContact O-N 3.33Å
24K35.1Very low35.7Very low174 Ų174127 Ų12776%0.75780%0.799SS**  trans-93.3100.6173.5-162.8171.6-175.7178.80108.2M22 V26M22-K24 VanDerWaalsContact C-N 3.33Å; M22-K24 PolarHBondContact O-N 3.3Å; K24-V26 PolarHBondContact O-N 3Å
25I40.4Very low36.2Very low146 Ų146126.7 Ų126.775%0.74979%0.786SS**  trans-68.2117.9164.2-61.2172.2000105.8E27I25-E27 HydrophobicContact CG2-CG 4.15Å
26V44.3Very low37.1Very low98 Ų98123.1 Ų123.159%0.59478%0.776SS**  trans-92107.3170.6172.30000106.4K24 E28K24-V26 PolarHBondContact O-N 3Å; V26-E28 HydrophobicContact CG1-CG 4.35Å
27E39.6Very low38Very low183 Ų183121.5 Ų121.586%0.85576%0.758SS**  trans-89.3114.4164.3-68.9-160124.300108.3I25I25-E27 HydrophobicContact CG2-CG 4.15Å
28E34.8Very low39.3Very low170 Ų170121.8 Ų121.879%0.79474%0.738SS**  trans-88.8127166.5-86-75.1151.900108.5V26V26-E28 HydrophobicContact CG1-CG 4.35Å
29A38.2Very low40.4Very low104 Ų104121.1 Ų121.186%0.8672%0.718SS**  trans-89.4111.8179.900000110.6
30G34.1Very low42.1Very low79 Ų79120.1 Ų120.181%0.81470%0.701SS**  trans137.9119.2156.200000116.2
31G34.1Very low43.6Very low75 Ų75120.9 Ų120.977%0.77369%0.687SS**SBendtrans96.7136.6160.300000115.7G33G31-G33 PolarHBondContact O-N 3.47Å
32E41.8Very low44.8Very low213 Ų213122.9 Ų122.9100%0.99569%0.688SS**SBendtrans-41.8117.7-172.4-71.3160.5100.400115.3
33G41.5Very low46.6Very low72 Ų72119 Ų11974%0.74267%0.674SS**  trans120.469.5173.100000113.9G31 Q35G31-G33 PolarHBondContact O-N 3.47Å; G33-Q35 PolarHBondContact O-N 3.15Å
34C39Very low48.1Very low121 Ų121109 Ų10982%0.81864%0.642SS**  trans-67.1100.6173.5-92.90000110.9
35Q40.3Very low49.7Very low115 Ų115110 Ų11054%0.53766%0.655SS.*  trans-95104.8166.3-168.5163.149.100108.8G33 L37 P56G33-Q35 PolarHBondContact O-N 3.15Å; Q35-L37 PolarHBondContact O-N 3.08Å; Q35-P56 HydrophobicContact CG-CB 4.41Å
36A48.6Very low51.3Low64 Ų64108.3 Ų108.353%0.52965%0.648SS.*PPolyproline II helixtrans-65.3116.7172.900000109.2M57A36-M57 HydrophobicContact CB-CB 4.48Å; A36-M57 WeakPolarHBondContact O-CB 3.33Å; A36-M57 PolarHBondContact O-N 3.5Å
37L50.8Low52.4Low89 Ų89106.6 Ų106.647%0.46665%0.649SS.*EExtended strand (participates in β ladder)trans-103.2117.6174.3-89.1149.7000107.8Q35 L54Q35-L37 PolarHBondContact O-N 3.08Å; L37-L54 HydrophobicContact CD2-CB 4.2Å; L37-L54 HydrophobicContact CD2-CD2 4.36Å
38Y57.3Low53.5Low113 Ų113106.5 Ų106.544%0.44364%0.641SS.*EExtended strand (participates in β ladder)trans-95.3132.6168.674.1-91.7000108.9T40 K55Y38-T40 HydrophobicContact CD2-CG2 4.17Å; Y38-T40 HydrophobicContact CE2-CG2 4.22Å; Y38-K55 HydrophobicContact CE1-CB 3.88Å; Y38-K55 HydrophobicContact CE1-CD 4.39Å; Y38-K55 HydrophobicContact CE2-CB 4.44Å; Y38-K55 WeakPolarHBondContact OH-CD 3.42Å
39V57.8Low54.9Low65 Ų65102.7 Ų102.739%0.39463%0.626SS.*EExtended strand (participates in β ladder)trans-109.7112.9-179.2-167.20000108.1Q41 L54V39-Q41 HydrophobicContact CG1-CG 3.88Å; V39-L54 HydrophobicContact CB-CD2 4.44Å; V39-L54 HydrophobicContact CG1-CD2 4.22Å; V39-L54 HydrophobicContact CG2-CD2 3.62Å
40T66.3Low56.1Low76 Ų76103.6 Ų103.647%0.46662%0.616SS.*EExtended strand (participates in β ladder)trans-95.3116.7166.649.50000108.5Y38 V53Y38-T40 HydrophobicContact CD2-CG2 4.17Å; Y38-T40 HydrophobicContact CE2-CG2 4.22Å; T40-V53 PolarHBondContact O-N 3.07Å
41Q64.6Low57.1Low124 Ų124103 Ų10358%0.57960%0.599SS**EExtended strand (participates in β ladder)trans-104131.4175.9-62.7-171.417.900109.4V39 L49V39-Q41 HydrophobicContact CG1-CG 3.88Å; Q41-L49 HydrophobicContact CB-CD1 3.92Å; Q41-L49 HydrophobicContact CG-CD1 4.17Å
42V60.2Low58.5Low91 Ų91102.5 Ų102.555%0.55258%0.584SS**EExtended strand (participates in β ladder)trans-108.2112.3171-175.10000107.7L50 S51V42-L50 PolarHBondContact O-N 3.09Å; V42-S51 PolarHBondContact N-O 2.81Å
43T73.8Confident59.5Low88 Ų8896.3 Ų96.354%0.5456%0.56SS.*EExtended strand (participates in β ladder)trans-99.9138.4174.629.30000110.5L49T43-L49 HydrophobicContact CG2-CD1 4.08Å
44A67.9Low60.5Low28 Ų2898 Ų9823%0.23155%0.552CS.*  trans-71.5160.7169.400000110.9D46 G47 R48 L50A44-D46 WeakPolarHBondContact CB-OD1 3.47Å; A44-D46 PolarHBondContact O-N 2.97Å; A44-D46 VanDerWaalsContact O-N 3.14Å; A44-G47 PolarHBondContact O-N 2.63Å; A44-R48 PolarHBondContact N-O 3.07Å; A44-L50 HydrophobicContact CB-CD1 3.89Å; A44-L50 HydrophobicContact CB-CD2 4.26Å; A44-L50 HydrophobicContact CB-CG 3.93Å
45L68.7Low61.3Low195 Ų19598.1 Ų98.1100%1.02154%0.539SS*.THydrogen-bonded Turntrans-60-21.1179.6-77.5157.3000113.6G47L45-G47 VanDerWaalsContact C-N 3.29Å
46D74.3Confident61.7Low112 Ų11295.9 Ų95.960%0.59953%0.534SS*.THydrogen-bonded Turntrans-87.26.817567.1-11.5000113.3A44 R48A44-D46 WeakPolarHBondContact CB-OD1 3.47Å; A44-D46 PolarHBondContact O-N 2.97Å; A44-D46 VanDerWaalsContact O-N 3.14Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 3.37Å; D46-R48 WeakPolarHBondContact OD1-CB 3.45Å; D46-R48 PolarHBondContact OD1-N 3.17Å; D46-R48 VanDerWaalsContact OD1-N 3.14Å
47G66.3Low61.6Low61 Ų6197.6 Ų97.663%0.62953%0.532SS*.SBendtrans79.64.1179.700000114.5A44 L45A44-G47 PolarHBondContact O-N 2.63Å; L45-G47 VanDerWaalsContact C-N 3.29Å
48R63Low61.4Low181 Ų18197.1 Ų97.168%0.68354%0.536SS*.  trans-78.1132174.3-81.7179148178.9-5.5111.5A44 D46 L50A44-R48 PolarHBondContact N-O 3.07Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 3.37Å; D46-R48 WeakPolarHBondContact OD1-CB 3.45Å; D46-R48 PolarHBondContact OD1-N 3.17Å; D46-R48 VanDerWaalsContact OD1-N 3.14Å; R48-L50 PolarHBondContact O-N 3.34Å
49L65.2Low61.1Low91 Ų9198.9 Ų98.948%0.47655%0.552SS.*EExtended strand (participates in β ladder)trans-71117.4173-17081.9000109.3Q41 T43Q41-L49 HydrophobicContact CB-CD1 3.92Å; Q41-L49 HydrophobicContact CG-CD1 4.17Å; T43-L49 HydrophobicContact CG2-CD1 4.08Å
50L62.3Low60.9Low122 Ų122102.6 Ų102.664%0.63957%0.565SS**EExtended strand (participates in β ladder)trans-88-39-179.4-68.7176.2000112.1V42 A44 R48V42-L50 PolarHBondContact O-N 3.09Å; A44-L50 HydrophobicContact CB-CD1 3.89Å; A44-L50 HydrophobicContact CB-CD2 4.26Å; A44-L50 HydrophobicContact CB-CG 3.93Å; R48-L50 PolarHBondContact O-N 3.34Å
51S54.9Low60.3Low68 Ų68103.1 Ų103.148%0.47657%0.571SS.*EExtended strand (participates in β ladder)trans-165.9145.7177.1-163.10000111.7V42V42-S51 PolarHBondContact N-O 2.81Å
52S63.2Low60.2Low63 Ų63105.8 Ų105.844%0.44159%0.59SS.*EExtended strand (participates in β ladder)trans-116.3123.8166.9540000109.2
53V63.9Low60.7Low83 Ų83103.2 Ų103.250%0.50358%0.582SS.*EExtended strand (participates in β ladder)trans-101113.5172.9179.70000107.8T40T40-V53 PolarHBondContact O-N 3.07Å
54L62.1Low61Low109 Ų109102.6 Ų102.657%0.57158%0.579SS**EExtended strand (participates in β ladder)trans-91.3105.5169.9-68.1166.7000107.4L37 V39L37-L54 HydrophobicContact CD2-CB 4.2Å; L37-L54 HydrophobicContact CD2-CD2 4.36Å; V39-L54 HydrophobicContact CB-CD2 4.44Å; V39-L54 HydrophobicContact CG1-CD2 4.22Å; V39-L54 HydrophobicContact CG2-CD2 3.62Å
55K55.5Low62Low123 Ų123104.4 Ų104.454%0.53558%0.584SS.*EExtended strand (participates in β ladder)trans-102.2115.2171.8-155.5176-169.2177.90108.5Y38 M57Y38-K55 HydrophobicContact CE1-CB 3.88Å; Y38-K55 HydrophobicContact CE1-CD 4.39Å; Y38-K55 HydrophobicContact CE2-CB 4.44Å; Y38-K55 WeakPolarHBondContact OH-CD 3.42Å; K55-M57 PolarHBondContact O-N 2.65Å
56P49.1Very low63Low68 Ų6895.1 Ų95.144%0.44254%0.536SS..EExtended strand (participates in β ladder)trans-62.1121.717023.6-29.2000107.9Q35 S58Q35-P56 HydrophobicContact CG-CB 4.41Å; P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 2.84Å
57M47.3Very low63.8Low100 Ų10091.5 Ų91.549%0.49351%0.514SS..  trans-71.997.7165.2-156168.3-167.100105A36 K55 I59A36-M57 HydrophobicContact CB-CB 4.48Å; A36-M57 WeakPolarHBondContact O-CB 3.33Å; A36-M57 PolarHBondContact O-N 3.5Å; K55-M57 PolarHBondContact O-N 2.65Å; M57-I59 PolarHBondContact O-N 2.73Å
58S46.8Very low65Low79 Ų7991.5 Ų91.555%0.55250%0.499SS*.  trans-52.7130.5157.3460000105.6P56 Q60P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 2.84Å; S58-Q60 PolarHBondContact O-N 3.07Å
59I49.4Very low66.3Low149 Ų14985 Ų8576%0.76448%0.48SS*.  trans-54.897164.6-62.6165.2000103.7M57 S61M57-I59 PolarHBondContact O-N 2.73Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 3.05Å
60Q53.3Low67.5Low143 Ų14387.2 Ų87.267%0.66849%0.488SS*.  trans-61.9106.5168.3-77.8175.968.200102.3S58 D62S58-Q60 PolarHBondContact O-N 3.07Å; Q60-D62 PolarHBondContact O-N 3.17Å
61S54.1Low68.7Low87 Ų8787.1 Ų87.161%0.60848%0.484SS*.  trans-45.3120.3157.150.20000105.1I59 G63I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 3.05Å; S61-G63 PolarHBondContact O-N 2.83Å
62D62.5Low69.7Low180 Ų18085.4 Ų85.496%0.96348%0.477SS*.SBendtrans-68.643.2-176.8-159.521000111.2Q60Q60-D62 PolarHBondContact O-N 3.17Å
63G71.6Confident69.9Low37 Ų3786 Ų8638%0.38149%0.493SS..SBendtrans-112.5164.1-171.500000110.6S61 I65S61-G63 PolarHBondContact O-N 2.83Å; G63-I65 PolarHBondContact O-N 3.1Å
64P79.2Confident70Confident75 Ų7584 Ų8449%0.48748%0.483SS..  trans-61.1136.1-177.225.5-33.6000111.4L78 T90P64-L78 HydrophobicContact CB-CD2 4.35Å; P64-L78 HydrophobicContact CG-CD1 4.5Å; P64-L78 WeakPolarHBondContact O-CD1 3.42Å; P64-L78 WeakPolarHBondContact O-CD2 3.31Å; P64-T90 HydrophobicContact CB-CG2 3.89Å
65I89.1Confident70.1Confident66 Ų6685.4 Ų85.434%0.33850%0.502SS..  trans-105151.1174.160.5167.8000110.7G63 R67 T90G63-I65 PolarHBondContact O-N 3.1Å; I65-R67 PolarHBondContact O-N 3.14Å; I65-T90 PolarHBondContact O-OG1 2.93Å
66C90.7Very high71.1Confident0 Ų082.3 Ų82.30%049%0.489CS..  trans-73.3126.6177.1174.40000109.9I68 C69 H70 E71 L78 T90 H92C66-I68 PolarHBondContact O-N 3.2Å; C66-I68 VanDerWaalsContact O-N 3.11Å; C66-I68 PolarHBondContact SG-N 3.17Å; C66-C69 VanDerWaalsContact CB-SG 3.54Å; C66-C69 VanDerWaalsContact SG-SG 3.61Å; C66-H70 WeakPolarHBondContact O-CA 3.22Å; C66-H70 PolarHBondContact O-N 2.88Å; C66-E71 VanDerWaalsContact CB-O 3.29Å; C66-E71 WeakPolarHBondContact CB-O 3.31Å; C66-E71 PolarHBondContact N-O 3.3Å; C66-L78 HydrophobicContact CB-CD2 4.12Å; C66-L78 VanDerWaalsContact N-CD2 3.29Å; C66-T90 WeakPolarHBondContact CA-O 3.47Å; C66-H92 WeakPolarHBondContact CB-ND1 3.13Å; C66-H92 PolarHBondContact SG-N 3.33Å; C66-H92 VanDerWaalsContact SG-N 3.4Å
67R91.4Very high72.6Confident37 Ų3781.9 Ų81.914%0.1450%0.497CS..THydrogen-bonded Turntrans-64.4-16.6179.794.8-164.2-178.4166.57.2114.6I65 H70 T87 L88 T90 V91 E109I65-R67 PolarHBondContact O-N 3.14Å; R67-H70 PolarHBondContact O-NE2 3.37Å; R67-T87 WeakPolarHBondContact CB-O 3.42Å; R67-L88 WeakPolarHBondContact CD-O 3.37Å; R67-L88 PolarHBondContact NH1-O 2.8Å; R67-T90 PolarHBondContact N-O 2.85Å; R67-V91 HydrophobicContact CB-CG1 4.33Å; R67-V91 HydrophobicContact CG-CG1 3.6Å; R67-E109 IonicContact NH2-OE1 3.4Å
68I91Very high74.5Confident61 Ų6179.4 Ų79.431%0.31349%0.486SS..THydrogen-bonded Turntrans-94.2-48.5-174.6-58.2174.2000110.8C66 V91 C95 W99C66-I68 PolarHBondContact O-N 3.2Å; C66-I68 VanDerWaalsContact O-N 3.11Å; C66-I68 PolarHBondContact SG-N 3.17Å; I68-V91 HydrophobicContact CD1-CB 4.36Å; I68-V91 HydrophobicContact CD1-CG1 4.12Å; I68-V91 HydrophobicContact CG1-CG1 4.16Å; I68-C95 HydrophobicContact CB-CB 3.98Å; I68-C95 HydrophobicContact CD1-CB 3.79Å; I68-C95 HydrophobicContact CG1-CB 4.41Å; I68-C95 HydrophobicContact CG2-CB 4.09Å; I68-W99 HydrophobicContact CD1-CB 4.14Å
69C90.6Very high76.5Confident43 Ų4377.3 Ų77.329%0.29147%0.468SS..THydrogen-bonded Turntrans-104.2-8.3-177.867.80000113.9C66 E71 H92C66-C69 VanDerWaalsContact CB-SG 3.54Å; C66-C69 VanDerWaalsContact SG-SG 3.61Å; C69-E71 PolarHBondContact O-N 3.32Å; C69-H92 VanDerWaalsContact SG-CE1 3.53Å; C69-H92 PolarHBondContact SG-ND1 2.92Å
70H89.7Confident78.3Confident138 Ų13874.2 Ų74.264%0.63946%0.46SS*.  trans60.626.1-178.8-49.1123.2000114.8C66 R67C66-H70 WeakPolarHBondContact O-CA 3.22Å; C66-H70 PolarHBondContact O-N 2.88Å; R67-H70 PolarHBondContact O-NE2 3.37Å
71E87.1Confident79.9Confident121 Ų12169.6 Ų69.657%0.56544%0.442SS*.  trans-117144.9177-64.3172.7179.500110.1C66 C69 H92C66-E71 VanDerWaalsContact CB-O 3.29Å; C66-E71 WeakPolarHBondContact CB-O 3.31Å; C66-E71 PolarHBondContact N-O 3.3Å; C69-E71 PolarHBondContact O-N 3.32Å; E71-H92 PolarHBondContact O-CE1 3.15Å
72G76.6Confident81.6Confident31 Ų3166 Ų6632%0.3242%0.417SS..SBendtrans-111.1-6.6-179.300000115.5L78G72-L78 WeakPolarHBondContact O-CD1 3.47Å
73G67.1Low82.9Confident75 Ų7563.5 Ų63.577%0.77340%0.403SS*.  trans-119.536.1-16800000115.1
74S66.6Low83.8Confident42 Ų4262.8 Ų62.829%0.29439%0.392SS..  trans-76.7162.8174.879.40000111.2E76 H92S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 WeakPolarHBondContact OG-CG 3.11Å; S74-E76 PolarHBondContact OG-N 2.93Å; S74-E76 PolarHBondContact OG-O 2.68Å; S74-H92 PolarHBondContact OG-CD2 3.47Å; S74-H92 PolarHBondContact OG-CE1 2.8Å; S74-H92 PolarHBondContact OG-NE2 3.47Å
75S63.9Low84.3Confident139 Ų13965.3 Ų65.397%0.97241%0.407SS*.SBendtrans-64.9-13.9176.156.20000113.5
76E75.1Confident84.1Confident58 Ų5864.8 Ų64.827%0.27142%0.417SS..SBendtrans-100.1132.9173.455.8-176.2164.500109.9S74 H92 S94S74-E76 PolarHBondContact O-N 2.89Å; S74-E76 WeakPolarHBondContact OG-CG 3.11Å; S74-E76 PolarHBondContact OG-N 2.93Å; S74-E76 PolarHBondContact OG-O 2.68Å; E76-H92 HydrophobicContact CG-CB 4.18Å; E76-H92 IonicContact OE1-CG 3.16Å; E76-S94 VanDerWaalsContact OE1-CB 3.27Å; E76-S94 WeakPolarHBondContact OE1-CB 3.27Å; E76-S94 PolarHBondContact OE1-OG 3.35Å; E76-S94 WeakPolarHBondContact OE2-CB 3.45Å; E76-S94 PolarHBondContact OE2-N 2.88Å; E76-S94 PolarHBondContact OE2-OG 3.03Å
77G81.8Confident83.8Confident59 Ų5969 Ų6961%0.60844%0.443SS*.PPolyproline II helixtrans-63.4152.4176.800000112.5
78L87.8Confident83.6Confident48 Ų4871.4 Ų71.425%0.25146%0.458SS..EExtended strand (participates in β ladder)trans-73.5143.1169.3-66.598.6000110.4P64 C66 G72P64-L78 HydrophobicContact CB-CD2 4.35Å; P64-L78 HydrophobicContact CG-CD1 4.5Å; P64-L78 WeakPolarHBondContact O-CD1 3.42Å; P64-L78 WeakPolarHBondContact O-CD2 3.31Å; C66-L78 HydrophobicContact CB-CD2 4.12Å; C66-L78 VanDerWaalsContact N-CD2 3.29Å; G72-L78 WeakPolarHBondContact O-CD1 3.47Å
79L87.5Confident83.4Confident35 Ų3568.5 Ų68.518%0.18344%0.444CS..EExtended strand (participates in β ladder)trans-128.3153.3-179.943.384.7000110.9P81 V91 K93 I220L79-P81 HydrophobicContact CD1-CB 4.34Å; L79-P81 HydrophobicContact CD1-CG 3.79Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; L79-V91 HydrophobicContact CD1-CG2 3.7Å; L79-V91 WeakPolarHBondContact CD1-O 3.48Å; L79-V91 VanDerWaalsContact CG-O 3.27Å; L79-V91 WeakPolarHBondContact CG-O 3.4Å; L79-V91 PolarHBondContact N-O 3.4Å; L79-V91 PolarHBondContact O-N 2.92Å; L79-K93 HydrophobicContact CD2-CB 3.75Å; L79-K93 HydrophobicContact CD2-CG 4.34Å; L79-I220 HydrophobicContact CD2-CD1 3.62Å
80S87.7Confident83.3Confident84 Ų8467.2 Ų67.259%0.58743%0.434SS*.  trans-117.779178.3-60.40000110.3C82 G89S80-C82 VanDerWaalsContact C-N 3.26Å; S80-C82 PolarHBondContact O-N 2.89Å; S80-G89 WeakPolarHBondContact CA-O 3.44Å
81P86.9Confident83.4Confident46 Ų4660.8 Ų60.830%0.29941%0.405SS..  trans-84.12.3-171.132.6-31.9000113.5L79 V91 L96 F115L79-P81 HydrophobicContact CD1-CB 4.34Å; L79-P81 HydrophobicContact CD1-CG 3.79Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; P81-V91 HydrophobicContact CG-CG2 3.98Å; P81-L96 HydrophobicContact CB-CD2 4.18Å; P81-L96 HydrophobicContact CG-CD2 3.4Å; P81-L96 VanDerWaalsContact CG-CD2 3.4Å; P81-F115 HydrophobicContact CB-CD1 4Å; P81-F115 HydrophobicContact CB-CE1 3.78Å; P81-F115 HydrophobicContact CG-CD1 4.46Å; P81-F115 HydrophobicContact CG-CE1 3.85Å; P81-F115 WeakPolarHBondContact O-CD1 3.49Å; P81-F115 VanDerWaalsContact O-CE1 3.28Å; P81-F115 WeakPolarHBondContact O-CE1 3.33Å
82C90.8Very high83.6Confident12 Ų1255.2 Ų55.28%0.08138%0.379CS..SBendtrans-140167-179.166.60000110.9S80 C84 C108 F115S80-C82 VanDerWaalsContact C-N 3.26Å; S80-C82 PolarHBondContact O-N 2.89Å; C82-C84 PolarHBondContact O-N 2.84Å; C82-C84 VanDerWaalsContact O-N 3.14Å; C82-C84 VanDerWaalsContact SG-SG 3.69Å; C82-C108 HydrophobicContact CB-CB 3.91Å; C82-F115 HydrophobicContact CB-CE1 3.83Å; C82-F115 HydrophobicContact CB-CZ 4.12Å
83D88.8Confident84.3Confident126 Ų12657.5 Ų57.567%0.67438%0.38SS*.SBendtrans-80.715.4-176.6-52.1-59.1000114T113D83-T113 WeakPolarHBondContact OD2-CG2 3.36Å; D83-T113 PolarHBondContact OD2-OG1 3.19Å
84C90.3Very high85.3Confident22 Ų2256.4 Ų56.415%0.14936%0.361CS..  trans-70.6132.6175.3-700000111.1C82 L88 G89C82-C84 PolarHBondContact O-N 2.84Å; C82-C84 VanDerWaalsContact O-N 3.14Å; C82-C84 VanDerWaalsContact SG-SG 3.69Å; C84-L88 HydrophobicContact CB-CB 4.27Å; C84-G89 WeakPolarHBondContact O-CA 3.27Å
85T89.1Confident86.5Confident129 Ų12955.4 Ų55.479%0.79135%0.353SS*.  trans-83.9148.7-179.6-44.50000112.4
86G85.8Confident87.8Confident54 Ų5448.8 Ų48.856%0.55731%0.307SS*.G310 helixtrans70.4-147.1173.900000113.3L88 G89G86-L88 PolarHBondContact O-N 2.86Å; G86-G89 PolarHBondContact O-N 2.76Å
87T84.3Confident88.5Confident88 Ų8847.5 Ų47.554%0.5430%0.301SS..G310 helixtrans-66.6-16-176.5530000114R67 G89 T90R67-T87 WeakPolarHBondContact CB-O 3.42Å; T87-G89 VanDerWaalsContact C-N 3.31Å; T87-T90 PolarHBondContact O-OG1 2.94Å
88L86.4Confident88.9Confident88 Ų8852.4 Ų52.446%0.46131%0.306SS..G310 helixtrans-77.4-17.5176.4-65.5178.7000113.1R67 C84 G86R67-L88 WeakPolarHBondContact CD-O 3.37Å; R67-L88 PolarHBondContact NH1-O 2.8Å; C84-L88 HydrophobicContact CB-CB 4.27Å; G86-L88 PolarHBondContact O-N 2.86Å
89G86.9Confident89.1Confident1 Ų152.7 Ų52.71%0.0130%0.303CS..THydrogen-bonded Turntrans-84.3-25175.100000113.4S80 C84 G86 T87S80-G89 WeakPolarHBondContact CA-O 3.44Å; C84-G89 WeakPolarHBondContact O-CA 3.27Å; G86-G89 PolarHBondContact O-N 2.76Å; T87-G89 VanDerWaalsContact C-N 3.31Å
90T89.8Confident89.2Confident16 Ų1651 Ų5110%0.09829%0.294CS..  trans-91.8118.5-168.752.20000112.6P64 I65 C66 R67 T87P64-T90 HydrophobicContact CB-CG2 3.89Å; I65-T90 PolarHBondContact O-OG1 2.93Å; C66-T90 WeakPolarHBondContact CA-O 3.47Å; R67-T90 PolarHBondContact N-O 2.85Å; T87-T90 PolarHBondContact O-OG1 2.94Å
91V91.8Very high89.2Confident3 Ų348.3 Ų48.32%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-142.8153.6-179.8-62.10000112.2R67 I68 L79 P81 L96R67-V91 HydrophobicContact CB-CG1 4.33Å; R67-V91 HydrophobicContact CG-CG1 3.6Å; I68-V91 HydrophobicContact CD1-CB 4.36Å; I68-V91 HydrophobicContact CD1-CG1 4.12Å; I68-V91 HydrophobicContact CG1-CG1 4.16Å; L79-V91 HydrophobicContact CD1-CG2 3.7Å; L79-V91 WeakPolarHBondContact CD1-O 3.48Å; L79-V91 VanDerWaalsContact CG-O 3.27Å; L79-V91 WeakPolarHBondContact CG-O 3.4Å; L79-V91 PolarHBondContact N-O 3.4Å; L79-V91 PolarHBondContact O-N 2.92Å; P81-V91 HydrophobicContact CG-CG2 3.98Å; V91-L96 HydrophobicContact CG2-CB 3.95Å; V91-L96 HydrophobicContact CG2-CD2 3.97Å; V91-L96 HydrophobicContact CG2-CG 4.42Å
92H91.6Very high89.1Confident3 Ų350.6 Ų50.61%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-74.5149.4167.9-62.4132.4000111.3C66 C69 E71 S74 E76 S94 C95 L96C66-H92 WeakPolarHBondContact CB-ND1 3.13Å; C66-H92 PolarHBondContact SG-N 3.33Å; C66-H92 VanDerWaalsContact SG-N 3.4Å; C69-H92 VanDerWaalsContact SG-CE1 3.53Å; C69-H92 PolarHBondContact SG-ND1 2.92Å; E71-H92 PolarHBondContact O-CE1 3.15Å; S74-H92 PolarHBondContact OG-CD2 3.47Å; S74-H92 PolarHBondContact OG-CE1 2.8Å; S74-H92 PolarHBondContact OG-NE2 3.47Å; E76-H92 HydrophobicContact CG-CB 4.18Å; E76-H92 IonicContact OE1-CG 3.16Å; H92-S94 PolarHBondContact O-N 3.39Å; H92-C95 HydrophobicContact CB-CB 4Å; H92-C95 PolarHBondContact O-N 3.02Å; H92-L96 PolarHBondContact O-N 3.32Å
93K89.5Confident89Confident79 Ų7952.1 Ų52.134%0.34330%0.304SS..Hα-helixtrans-55.9-51.8174.8-170.8178.7177.51750111.2L79 C95 L96 E97 L218 I220L79-K93 HydrophobicContact CD2-CB 3.75Å; L79-K93 HydrophobicContact CD2-CG 4.34Å; K93-C95 VanDerWaalsContact C-N 3.31Å; K93-C95 PolarHBondContact O-N 3.02Å; K93-L96 PolarHBondContact O-N 3.48Å; K93-E97 WeakPolarHBondContact CE-OE1 3.07Å; K93-E97 WeakPolarHBondContact O-CG 3.32Å; K93-E97 PolarHBondContact O-N 3.4Å; K93-L218 HydrophobicContact CG-CD1 4.25Å; K93-I220 HydrophobicContact CD-CD1 4.02Å; K93-I220 HydrophobicContact CG-CD1 4.36Å
94S90.1Very high88.8Confident53 Ų5349.9 Ų49.937%0.37129%0.292SS..Hα-helixtrans-62.7-38.1-178.176.30000112.8E76 H92 K98E76-S94 VanDerWaalsContact OE1-CB 3.27Å; E76-S94 WeakPolarHBondContact OE1-CB 3.27Å; E76-S94 PolarHBondContact OE1-OG 3.35Å; E76-S94 WeakPolarHBondContact OE2-CB 3.45Å; E76-S94 PolarHBondContact OE2-N 2.88Å; E76-S94 PolarHBondContact OE2-OG 3.03Å; H92-S94 PolarHBondContact O-N 3.39Å; S94-K98 VanDerWaalsContact O-CB 3.27Å; S94-K98 WeakPolarHBondContact O-CB 3.47Å; S94-K98 PolarHBondContact O-N 3.42Å
95C90.5Very high88.7Confident20 Ų2050.2 Ų50.214%0.13529%0.293CS..Hα-helixtrans-65.9-45.4179.1-69.80000110.9I68 H92 K93 K98 W99I68-C95 HydrophobicContact CB-CB 3.98Å; I68-C95 HydrophobicContact CD1-CB 3.79Å; I68-C95 HydrophobicContact CG1-CB 4.41Å; I68-C95 HydrophobicContact CG2-CB 4.09Å; H92-C95 HydrophobicContact CB-CB 4Å; H92-C95 PolarHBondContact O-N 3.02Å; K93-C95 VanDerWaalsContact C-N 3.31Å; K93-C95 PolarHBondContact O-N 3.02Å; C95-K98 PolarHBondContact O-N 3.31Å; C95-W99 WeakPolarHBondContact O-CB 3.21Å; C95-W99 PolarHBondContact O-N 2.92Å
96L91.3Very high88.8Confident1 Ų145.7 Ų45.71%0.00527%0.267CS..Hα-helixtrans-68.5-42.3178.8-177.461.5000111.9P81 V91 H92 K93 K98 W99 L100 F115 L218P81-L96 HydrophobicContact CB-CD2 4.18Å; P81-L96 HydrophobicContact CG-CD2 3.4Å; P81-L96 VanDerWaalsContact CG-CD2 3.4Å; V91-L96 HydrophobicContact CG2-CB 3.95Å; V91-L96 HydrophobicContact CG2-CD2 3.97Å; V91-L96 HydrophobicContact CG2-CG 4.42Å; H92-L96 PolarHBondContact O-N 3.32Å; K93-L96 PolarHBondContact O-N 3.48Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 3.08Å; L96-W99 HydrophobicContact CD1-CE3 4.08Å; L96-W99 PolarHBondContact O-N 3.45Å; L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CG 4.02Å; L96-L100 HydrophobicContact CD2-CD1 4.5Å; L96-L100 HydrophobicContact CG-CD1 3.86Å; L96-L100 HydrophobicContact CG-CG 4.26Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.91Å; L96-F115 HydrophobicContact CD1-CE2 4.32Å; L96-F115 HydrophobicContact CD1-CZ 4.46Å; L96-F115 HydrophobicContact CD2-CE1 4.37Å; L96-F115 HydrophobicContact CD2-CZ 4.36Å; L96-L218 HydrophobicContact CB-CD1 3.9Å; L96-L218 HydrophobicContact CD2-CD1 3.6Å; L96-L218 HydrophobicContact CD2-CD2 4.09Å; L96-L218 HydrophobicContact CD2-CG 4.48Å; L96-L218 HydrophobicContact CG-CD1 3.8Å
97E91Very high89.1Confident30 Ų3047.9 Ų47.914%0.1426%0.259CS..Hα-helixtrans-58.2-43.8173.9-75.9-175.7171.500111.9K93 S101 V216 R217 L218K93-E97 WeakPolarHBondContact CE-OE1 3.07Å; K93-E97 WeakPolarHBondContact O-CG 3.32Å; K93-E97 PolarHBondContact O-N 3.4Å; E97-S101 VanDerWaalsContact O-CB 3.28Å; E97-S101 WeakPolarHBondContact O-CB 3.48Å; E97-S101 PolarHBondContact O-N 3.19Å; E97-S101 PolarHBondContact O-OG 3.25Å; E97-V216 WeakPolarHBondContact CB-O 3.29Å; E97-R217 WeakPolarHBondContact OE1-CA 3.3Å; E97-L218 HydrophobicContact CG-CB 4.22Å; E97-L218 HydrophobicContact CG-CD1 3.84Å; E97-L218 HydrophobicContact CG-CG 3.87Å; E97-L218 PolarHBondContact OE1-N 3.41Å
98K89.3Confident89.4Confident163 Ų16343.7 Ų43.771%0.70923%0.233SC*.Hα-helixtrans-65.8-44177.4-172.5176.5-178-178.70111.5S94 C95 L96 S101 S102S94-K98 VanDerWaalsContact O-CB 3.27Å; S94-K98 WeakPolarHBondContact O-CB 3.47Å; S94-K98 PolarHBondContact O-N 3.42Å; C95-K98 PolarHBondContact O-N 3.31Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 3.08Å; K98-S101 PolarHBondContact O-N 2.9Å; K98-S102 WeakPolarHBondContact O-CB 3.49Å; K98-S102 PolarHBondContact O-N 3Å; K98-S102 PolarHBondContact O-OG 2.65Å
99W90.8Very high89.7Confident53 Ų5344.7 Ų44.720%0.20124%0.235CC..Hα-helixtrans-60.2-53.6176.7-178.286.5000110.8I68 C95 L96 S101 S102 S103 T105 E109I68-W99 HydrophobicContact CD1-CB 4.14Å; C95-W99 WeakPolarHBondContact O-CB 3.21Å; C95-W99 PolarHBondContact O-N 2.92Å; L96-W99 HydrophobicContact CD1-CE3 4.08Å; L96-W99 PolarHBondContact O-N 3.45Å; W99-S101 VanDerWaalsContact C-N 3.28Å; W99-S101 PolarHBondContact O-N 2.7Å; W99-S102 PolarHBondContact O-N 3.34Å; W99-S102 PolarHBondContact O-OG 2.82Å; W99-S103 PolarHBondContact O-N 2.8Å; W99-S103 PolarHBondContact O-OG 3.2Å; W99-T105 WeakPolarHBondContact CH2-OG1 3.06Å; W99-T105 WeakPolarHBondContact CZ3-OG1 3.35Å; W99-E109 HydrophobicContact CH2-CB 4.16Å; W99-E109 HydrophobicContact CH2-CG 4.41Å; W99-E109 HydrophobicContact CZ2-CB 4.33Å; W99-E109 HydrophobicContact CZ2-CG 4.31Å; W99-E109 WeakPolarHBondContact CZ2-OE2 3.4Å
100L90.6Very high90Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-59.5-37.1178.1-68.2170.1000112.7L96 S102 S103 N104 T105 F115 I117 V216 L218L96-L100 HydrophobicContact CD1-CD1 4.09Å; L96-L100 HydrophobicContact CD1-CG 4.02Å; L96-L100 HydrophobicContact CD2-CD1 4.5Å; L96-L100 HydrophobicContact CG-CD1 3.86Å; L96-L100 HydrophobicContact CG-CG 4.26Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.91Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.47Å; L100-S103 WeakPolarHBondContact CA-OG 3.43Å; L100-N104 WeakPolarHBondContact O-CA 3.4Å; L100-N104 PolarHBondContact O-N 3.41Å; L100-T105 WeakPolarHBondContact CD2-O 3.29Å; L100-F115 HydrophobicContact CD1-CD2 4.03Å; L100-F115 HydrophobicContact CD2-CD2 3.85Å; L100-F115 HydrophobicContact CD2-CE2 4.12Å; L100-I117 HydrophobicContact CD1-CG2 3.98Å; L100-V216 HydrophobicContact CB-CB 4.04Å; L100-V216 HydrophobicContact CB-CG1 3.8Å; L100-V216 HydrophobicContact CB-CG2 4.18Å; L100-V216 HydrophobicContact CD1-CG1 4.11Å; L100-L218 HydrophobicContact CD1-CD2 3.93Å; L100-L218 HydrophobicContact CD1-CG 4.46Å
101S87.9Confident90.1Very high28 Ų2850.5 Ų50.520%0.19627%0.268CS..Hα-helixtrans-65.5-34.4174.9-58.70000112.3E97 K98 W99 V216E97-S101 VanDerWaalsContact O-CB 3.28Å; E97-S101 WeakPolarHBondContact O-CB 3.48Å; E97-S101 PolarHBondContact O-N 3.19Å; E97-S101 PolarHBondContact O-OG 3.25Å; K98-S101 PolarHBondContact O-N 2.9Å; W99-S101 VanDerWaalsContact C-N 3.28Å; W99-S101 PolarHBondContact O-N 2.7Å; S101-V216 WeakPolarHBondContact OG-CB 3.24Å; S101-V216 PolarHBondContact OG-N 2.88Å
102S85.4Confident90.1Very high94 Ų9456.4 Ų56.466%0.65730%0.296SS*.Hα-helixtrans-84.1-38-179.366.60000113.6K98 W99 L100 N104K98-S102 WeakPolarHBondContact O-CB 3.49Å; K98-S102 PolarHBondContact O-N 3Å; K98-S102 PolarHBondContact O-OG 2.65Å; W99-S102 PolarHBondContact O-N 3.34Å; W99-S102 PolarHBondContact O-OG 2.82Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.47Å; S102-N104 VanDerWaalsContact C-N 3.32Å
103S87Confident90.1Very high44 Ų4458 Ų5831%0.30831%0.305SS..Hα-helixtrans-80.9-15.817961.70000112.5W99 L100 T105W99-S103 PolarHBondContact O-N 2.8Å; W99-S103 PolarHBondContact O-OG 3.2Å; L100-S103 WeakPolarHBondContact CA-OG 3.43Å; S103-T105 PolarHBondContact O-N 3.3Å; S103-T105 PolarHBondContact OG-N 3.39Å; S103-T105 PolarHBondContact OG-OG1 2.93Å
104N85.4Confident90.2Very high79 Ų7961.5 Ų61.542%0.42232%0.323SS..  trans58.922.4-174.3-159.133.2000113.4L100 S102 R119L100-N104 WeakPolarHBondContact O-CA 3.4Å; L100-N104 PolarHBondContact O-N 3.41Å; S102-N104 VanDerWaalsContact C-N 3.32Å; N104-R119 VanDerWaalsContact C-NH2 3.31Å; N104-R119 PolarHBondContact O-NH2 3.39Å; N104-R119 PolarHBondContact OD1-NH1 3.49Å
105T89.1Confident90.2Very high29 Ų2959.5 Ų59.518%0.17831%0.308CS..  trans-97.3164.7178.858.90000112.1W99 L100 S103 Y107W99-T105 WeakPolarHBondContact CH2-OG1 3.06Å; W99-T105 WeakPolarHBondContact CZ3-OG1 3.35Å; L100-T105 WeakPolarHBondContact CD2-O 3.29Å; S103-T105 PolarHBondContact O-N 3.3Å; S103-T105 PolarHBondContact OG-N 3.39Å; S103-T105 PolarHBondContact OG-OG1 2.93Å; T105-Y107 HydrophobicContact CG2-CE1 4.44Å
106S90.1Very high90Very high34 Ų3462.2 Ų62.224%0.23833%0.327CS..SBendtrans-126.97.2176.757.60000113.2F115S106-F115 WeakPolarHBondContact O-CB 3.34Å; S106-F115 PolarHBondContact O-N 3.28Å
107Y91.4Very high89.8Confident99 Ų9963.9 Ų63.939%0.38834%0.335SS..BIsolated β-bridgetrans-135161.4-175.959.3-92.5000110.6T105 H112 T113T105-Y107 HydrophobicContact CG2-CE1 4.44Å; Y107-H112 AromaticContact CD2-ND1 3.66Å; Y107-H112 AromaticContact CE2-ND1 3.62Å; Y107-T113 CarbonylContact C-O 3.55Å; Y107-T113 VanDerWaalsContact CA-O 3.27Å; Y107-T113 WeakPolarHBondContact CA-O 3.33Å
108C92.1Very high89.6Confident0 Ų066 Ų660%035%0.345CS..  trans-70.3129.7175-173.90000111C82 L110 C111 H112 T113 F115C82-C108 HydrophobicContact CB-CB 3.91Å; C108-L110 PolarHBondContact O-N 3.49Å; C108-C111 VanDerWaalsContact CB-SG 3.51Å; C108-H112 WeakPolarHBondContact O-CA 3.45Å; C108-H112 PolarHBondContact O-N 2.85Å; C108-T113 PolarHBondContact N-O 2.87Å; C108-F115 HydrophobicContact CB-CE2 4.1Å; C108-F115 HydrophobicContact CB-CZ 3.7Å; C108-F115 VanDerWaalsContact N-CE2 3.33Å
109E92.9Very high89.4Confident109 Ų10961.9 Ų61.951%0.50933%0.325SS..THydrogen-bonded Turntrans-68-13.5179.868.6-167153.200115R67 W99R67-E109 IonicContact NH2-OE1 3.4Å; W99-E109 HydrophobicContact CH2-CB 4.16Å; W99-E109 HydrophobicContact CH2-CG 4.41Å; W99-E109 HydrophobicContact CZ2-CB 4.33Å; W99-E109 HydrophobicContact CZ2-CG 4.31Å; W99-E109 WeakPolarHBondContact CZ2-OE2 3.4Å
110L92.6Very high89Confident92 Ų9265.9 Ų65.948%0.48234%0.34SS..THydrogen-bonded Turntrans-101.7-55.3-177.1-70.8137.6000111.9C108C108-L110 PolarHBondContact O-N 3.49Å
111C91.8Very high88.4Confident47 Ų4769.1 Ų69.132%0.31836%0.361SS..THydrogen-bonded Turntrans-103.2-3.2-175.9630000113.7C108 T113C108-C111 VanDerWaalsContact CB-SG 3.51Å; C111-T113 PolarHBondContact O-N 2.97Å; C111-T113 PolarHBondContact SG-OG1 2.66Å
112H92.1Very high87.9Confident128 Ų12870.3 Ų70.359%0.59336%0.363SS*.  trans5913.2-179.1-62.7-80.5000116Y107 C108 E114Y107-H112 AromaticContact CD2-ND1 3.66Å; Y107-H112 AromaticContact CE2-ND1 3.62Å; C108-H112 WeakPolarHBondContact O-CA 3.45Å; C108-H112 PolarHBondContact O-N 2.85Å; H112-E114 PolarHBondContact O-N 2.91Å
113T91Very high87.6Confident35 Ų3569.3 Ų69.322%0.21535%0.354CS..PPolyproline II helixtrans-59.4131.5170.6-46.20000110.2D83 Y107 C108 C111D83-T113 WeakPolarHBondContact OD2-CG2 3.36Å; D83-T113 PolarHBondContact OD2-OG1 3.19Å; Y107-T113 CarbonylContact C-O 3.55Å; Y107-T113 VanDerWaalsContact CA-O 3.27Å; Y107-T113 WeakPolarHBondContact CA-O 3.33Å; C108-T113 PolarHBondContact N-O 2.87Å; C111-T113 PolarHBondContact O-N 2.97Å; C111-T113 PolarHBondContact SG-OG1 2.66Å
114E90.8Very high86.9Confident153 Ų15372 Ų7272%0.71536%0.364SS*.BIsolated β-bridgetrans-82132.2-179.2-169.9161.1-176.500111.6H112H112-E114 PolarHBondContact O-N 2.91Å
115F90.1Very high86.4Confident12 Ų1273.1 Ų73.15%0.05337%0.374CS..PPolyproline II helixtrans-92.7137.1178.7-58-58.3000110.8P81 C82 L96 L100 S106 C108 I117 L218P81-F115 HydrophobicContact CB-CD1 4Å; P81-F115 HydrophobicContact CB-CE1 3.78Å; P81-F115 HydrophobicContact CG-CD1 4.46Å; P81-F115 HydrophobicContact CG-CE1 3.85Å; P81-F115 WeakPolarHBondContact O-CD1 3.49Å; P81-F115 VanDerWaalsContact O-CE1 3.28Å; P81-F115 WeakPolarHBondContact O-CE1 3.33Å; C82-F115 HydrophobicContact CB-CE1 3.83Å; C82-F115 HydrophobicContact CB-CZ 4.12Å; L96-F115 HydrophobicContact CD1-CE2 4.32Å; L96-F115 HydrophobicContact CD1-CZ 4.46Å; L96-F115 HydrophobicContact CD2-CE1 4.37Å; L96-F115 HydrophobicContact CD2-CZ 4.36Å; L100-F115 HydrophobicContact CD1-CD2 4.03Å; L100-F115 HydrophobicContact CD2-CD2 3.85Å; L100-F115 HydrophobicContact CD2-CE2 4.12Å; S106-F115 WeakPolarHBondContact O-CB 3.34Å; S106-F115 PolarHBondContact O-N 3.28Å; C108-F115 HydrophobicContact CB-CE2 4.1Å; C108-F115 HydrophobicContact CB-CZ 3.7Å; C108-F115 VanDerWaalsContact N-CE2 3.33Å; F115-I117 HydrophobicContact CB-CG2 4Å; F115-I117 PolarHBondContact O-N 2.88Å; F115-L218 HydrophobicContact CB-CD2 4.21Å
116S87Confident86Confident76 Ų7676 Ų7653%0.53139%0.386SS..  trans-72.9106.9168.8-69.10000110L219S116-L219 WeakPolarHBondContact CB-O 3.28Å; S116-L219 PolarHBondContact O-N 3.41Å
117I87.9Confident85.5Confident37 Ų3775.6 Ų75.619%0.1938%0.379CS..EExtended strand (participates in β ladder)trans-129.6149.7-176.159.8162.2000113.2L100 F115 R119 V216 R217 L218L100-I117 HydrophobicContact CD1-CG2 3.98Å; F115-I117 HydrophobicContact CB-CG2 4Å; F115-I117 PolarHBondContact O-N 2.88Å; I117-R119 HydrophobicContact CD1-CG 4.3Å; I117-V216 HydrophobicContact CB-CG1 3.69Å; I117-V216 HydrophobicContact CD1-CG1 3.77Å; I117-V216 HydrophobicContact CD1-CG2 4.45Å; I117-V216 HydrophobicContact CG1-CG1 4.35Å; I117-V216 HydrophobicContact CG2-CG1 3.58Å; I117-R217 CarbonylContact C-O 3.56Å; I117-R217 VanDerWaalsContact CA-O 3.32Å; I117-R217 WeakPolarHBondContact CA-O 3.41Å; I117-L218 HydrophobicContact CG2-CD2 3.79Å
118E86.3Confident84.6Confident73 Ų7377.1 Ų77.134%0.34139%0.393SS..EExtended strand (participates in β ladder)trans-114.6130.3167.5-167.2177.4-179.700110.2R120 R217 L219E118-R120 VanDerWaalsContact CD-NE 3.32Å; E118-R120 IonicContact OE1-CZ 3.95Å; E118-R120 IonicContact OE1-NE 3.68Å; E118-R120 PolarHBondContact OE1-NE 2.51Å; E118-R120 IonicContact OE1-NH2 3.32Å; E118-R120 PolarHBondContact OE1-NH2 3.32Å; E118-R120 IonicContact OE2-CZ 3.72Å; E118-R120 IonicContact OE2-NE 3.4Å; E118-R120 IonicContact OE2-NH2 2.71Å; E118-R120 PolarHBondContact OE2-NH2 3.11Å; E118-R217 PolarHBondContact N-O 2.96Å; E118-R217 PolarHBondContact O-N 3.43Å; E118-L219 HydrophobicContact CB-CD1 4.18Å; E118-L219 HydrophobicContact CB-CD2 4.33Å; E118-L219 HydrophobicContact CB-CG 4.21Å
119R84.2Confident83.9Confident78 Ų7885 Ų8529%0.29443%0.43SS..EExtended strand (participates in β ladder)trans-101.3116.2179.2-67.1-176.9171.8-140.4-2.1110.3N104 I117 Q214 V216N104-R119 VanDerWaalsContact C-NH2 3.31Å; N104-R119 PolarHBondContact O-NH2 3.39Å; N104-R119 PolarHBondContact OD1-NH1 3.49Å; I117-R119 HydrophobicContact CD1-CG 4.3Å; R119-Q214 HydrophobicContact CB-CB 4.36Å; R119-V216 HydrophobicContact CG-CG2 4.24Å
120R82.6Confident82.9Confident136 Ų13684.1 Ų84.151%0.51343%0.429SS..EExtended strand (participates in β ladder)trans-106.4132.5178.4-66.6-67.3-176.8118.50.5110.9E118 K215E118-R120 VanDerWaalsContact CD-NE 3.32Å; E118-R120 IonicContact OE1-CZ 3.95Å; E118-R120 IonicContact OE1-NE 3.68Å; E118-R120 PolarHBondContact OE1-NE 2.51Å; E118-R120 IonicContact OE1-NH2 3.32Å; E118-R120 PolarHBondContact OE1-NH2 3.32Å; E118-R120 IonicContact OE2-CZ 3.72Å; E118-R120 IonicContact OE2-NE 3.4Å; E118-R120 IonicContact OE2-NH2 2.71Å; E118-R120 PolarHBondContact OE2-NH2 3.11Å; R120-K215 PolarHBondContact N-O 3.5Å; R120-K215 PolarHBondContact O-N 2.8Å
121P77.9Confident81.7Confident68 Ų6880.3 Ų80.344%0.44241%0.41SS..PPolyproline II helixtrans-70.9140.9175.329-32.9000110.7R210P121-R210 HydrophobicContact CB-CG 4.15Å
122K79.2Confident80.7Confident54 Ų5479.3 Ų79.324%0.23541%0.407CS..PPolyproline II helixtrans-76.1145.2175.2-70.4179.7175.2-172.60111.6E126 W209 N213K122-E126 WeakPolarHBondContact CB-OE2 3.46Å; K122-E126 WeakPolarHBondContact CD-OE2 3.46Å; K122-E126 VanDerWaalsContact CG-OE2 3.22Å; K122-E126 WeakPolarHBondContact CG-OE2 3.34Å; K122-W209 HydrophobicContact CB-CH2 3.63Å; K122-W209 HydrophobicContact CB-CZ3 3.9Å; K122-W209 HydrophobicContact CD-CH2 3.86Å; K122-W209 HydrophobicContact CD-CZ2 4.28Å; K122-W209 HydrophobicContact CG-CH2 4.4Å; K122-N213 HydrophobicContact CD-CB 4.39Å; K122-N213 VanDerWaalsContact CD-O 3.27Å; K122-N213 WeakPolarHBondContact CD-O 3.37Å; K122-N213 WeakPolarHBondContact CG-O 3.39Å
123P78.1Confident79.8Confident73 Ų7376.6 Ų76.647%0.47440%0.401SS..PPolyproline II helixtrans-68.2160.7176.330.1-34.8000111.8T125 E126P123-T125 PolarHBondContact O-N 3.2Å; P123-E126 PolarHBondContact O-N 2.83Å
124L72Confident79.1Confident99 Ų9986.1 Ų86.152%0.51843%0.433SS..Hα-helixtrans-57.7-28.2178.5-80.3161.5000113.6W127 L128 Y206L124-W127 WeakPolarHBondContact O-CB 3.28Å; L124-W127 PolarHBondContact O-N 2.74Å; L124-L128 PolarHBondContact O-N 3.01Å; L124-Y206 HydrophobicContact CD2-CD1 4.04Å; L124-Y206 HydrophobicContact CD2-CD2 3.72Å; L124-Y206 HydrophobicContact CD2-CE1 3.59Å; L124-Y206 HydrophobicContact CD2-CE2 3.27Å; L124-Y206 HydrophobicContact CD2-CG 4.09Å; L124-Y206 WeakPolarHBondContact CD2-OH 3.33Å; L124-Y206 HydrophobicContact CG-CE1 4.24Å; L124-Y206 HydrophobicContact CG-CE2 4.09Å; L124-Y206 WeakPolarHBondContact CG-OH 3.34Å
125T75.2Confident78.4Confident104 Ų10483 Ų8364%0.63842%0.421SS*.Hα-helixtrans-65.4-39.2-177.549.10000112.8P123 L128 Q129P123-T125 PolarHBondContact O-N 3.2Å; T125-L128 PolarHBondContact O-N 3.01Å; T125-Q129 PolarHBondContact O-N 3.03Å
126E80.3Confident78.1Confident90 Ų9084.3 Ų84.342%0.42143%0.428SS..Hα-helixtrans-67.1-37.4174.3-93.3-175.414100111.6K122 P123 Q129 D130 W209K122-E126 WeakPolarHBondContact CB-OE2 3.46Å; K122-E126 WeakPolarHBondContact CD-OE2 3.46Å; K122-E126 VanDerWaalsContact CG-OE2 3.22Å; K122-E126 WeakPolarHBondContact CG-OE2 3.34Å; P123-E126 PolarHBondContact O-N 2.83Å; E126-Q129 PolarHBondContact O-N 2.97Å; E126-D130 PolarHBondContact O-N 2.7Å; E126-D130 VanDerWaalsContact O-N 3.13Å; E126-W209 HydrophobicContact CB-CH2 4.32Å
127W79.3Confident77.7Confident24 Ų2483.9 Ų83.99%0.09142%0.416CS..Hα-helixtrans-64.7-40.4175.9177.971.8000111.9L124 Q129 D130 P131 L140 L205 Y206 W209L124-W127 WeakPolarHBondContact O-CB 3.28Å; L124-W127 PolarHBondContact O-N 2.74Å; W127-Q129 PolarHBondContact O-N 3.02Å; W127-D130 CarbonylContact O-C 3.13Å; W127-D130 PolarHBondContact O-N 3.27Å; W127-P131 HydrophobicContact CD2-CB 4.48Å; W127-P131 HydrophobicContact CZ2-CB 4.2Å; W127-P131 VanDerWaalsContact O-CA 3.26Å; W127-P131 WeakPolarHBondContact O-CA 3.08Å; W127-P131 WeakPolarHBondContact O-CD 3.13Å; W127-P131 WeakPolarHBondContact O-CG 3.46Å; W127-L140 HydrophobicContact CH2-CD1 3.71Å; W127-L140 HydrophobicContact CH2-CD2 3.62Å; W127-L140 HydrophobicContact CH2-CG 4.36Å; W127-L140 HydrophobicContact CZ2-CD1 3.66Å; W127-L140 HydrophobicContact CZ2-CD2 4.23Å; W127-L205 HydrophobicContact CZ2-CD2 4.48Å; W127-Y206 HydrophobicContact CB-CD2 4.22Å; W127-Y206 HydrophobicContact CB-CE2 3.97Å; W127-Y206 AromaticContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CE2 4.31Å; W127-Y206 HydrophobicContact CE3-CD2 4.13Å; W127-Y206 AromaticContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CE2 4Å; W127-W209 HydrophobicContact CB-CD2 4.18Å; W127-W209 HydrophobicContact CB-CE3 3.9Å; W127-W209 HydrophobicContact CB-CH2 3.8Å; W127-W209 HydrophobicContact CB-CZ2 4.06Å; W127-W209 HydrophobicContact CB-CZ3 3.72Å; W127-W209 AromaticContact CD1-CD1 3.7Å; W127-W209 AromaticContact CD1-CD2 3.33Å; W127-W209 AromaticContact CD1-CE2 3.68Å; W127-W209 AromaticContact CD1-CE3 3.74Å; W127-W209 AromaticContact CD1-CG 3.37Å; W127-W209 AromaticContact CD1-NE1 3.86Å; W127-W209 HydrophobicContact CG-CD2 4.08Å; W127-W209 HydrophobicContact CG-CE3 4.08Å; W127-W209 HydrophobicContact CG-CG 4.47Å; W127-W209 HydrophobicContact CG-CZ3 4.4Å; W127-W209 AromaticContact NE1-CG 3.88Å
128L74.1Confident77.5Confident131 Ų13190.5 Ų90.569%0.68644%0.439SS*.Hα-helixtrans-64-30.1178.7-168.965.6000112.1L124 T125L124-L128 PolarHBondContact O-N 3.01Å; T125-L128 PolarHBondContact O-N 3.01Å
129Q77.6Confident77.5Confident166 Ų16690 Ų9078%0.77644%0.441SS*.Hα-helixtrans-77-37177.6-168.5143.632.700112.4T125 E126 W127T125-Q129 PolarHBondContact O-N 3.03Å; E126-Q129 PolarHBondContact O-N 2.97Å; W127-Q129 PolarHBondContact O-N 3.02Å
130D70Confident77.5Confident90 Ų9087.1 Ų87.148%0.48143%0.431SS..  trans-137.479.7173.3-149.2-34.9000113.8E126 W127 G132 K137E126-D130 PolarHBondContact O-N 2.7Å; E126-D130 VanDerWaalsContact O-N 3.13Å; W127-D130 CarbonylContact O-C 3.13Å; W127-D130 PolarHBondContact O-N 3.27Å; D130-G132 PolarHBondContact O-N 3.19Å; D130-G132 PolarHBondContact OD1-N 3.19Å; D130-K137 WeakPolarHBondContact OD1-CE 3.27Å; D130-K137 IonicContact OD1-NZ 2.75Å; D130-K137 PolarHBondContact OD1-NZ 3.07Å; D130-K137 IonicContact OD2-NZ 3.92Å; D130-K137 PolarHBondContact OD2-NZ 2.96Å
131P67.8Low77.6Confident12 Ų1287.6 Ų87.68%0.07844%0.437CS..  trans-68.84.7-178.8-16.723.2000115.4W127 K137 L140W127-P131 HydrophobicContact CD2-CB 4.48Å; W127-P131 HydrophobicContact CZ2-CB 4.2Å; W127-P131 VanDerWaalsContact O-CA 3.26Å; W127-P131 WeakPolarHBondContact O-CA 3.08Å; W127-P131 WeakPolarHBondContact O-CD 3.13Å; W127-P131 WeakPolarHBondContact O-CG 3.46Å; P131-K137 HydrophobicContact CB-CG 4.14Å; P131-K137 HydrophobicContact CG-CD 4.4Å; P131-K137 HydrophobicContact CG-CG 3.94Å; P131-L140 HydrophobicContact CB-CD1 3.65Å; P131-L140 HydrophobicContact CG-CD1 4.07Å
132G72.1Confident78Confident26 Ų2687.3 Ų87.327%0.26844%0.436SS..SBendtrans108.5-148.4-174.800000113.3D130 K137D130-G132 PolarHBondContact O-N 3.19Å; D130-G132 PolarHBondContact OD1-N 3.19Å; G132-K137 WeakPolarHBondContact O-CE 3.41Å
133P71.8Confident78.4Confident72 Ų7285.9 Ų85.947%0.46843%0.431SS..SBendtrans-56.9152.7-174.8-23.833000114.5N135 E136 K137P133-N135 VanDerWaalsContact CB-OD1 3.25Å; P133-N135 WeakPolarHBondContact CB-OD1 3.4Å; P133-N135 PolarHBondContact O-N 3.35Å; P133-N135 VanDerWaalsContact O-N 3.11Å; P133-E136 VanDerWaalsContact CB-OE2 3.29Å; P133-E136 WeakPolarHBondContact CB-OE2 3.46Å; P133-E136 WeakPolarHBondContact CD-OE2 3.4Å; P133-E136 VanDerWaalsContact CG-OE2 3.23Å; P133-E136 WeakPolarHBondContact CG-OE2 3.49Å; P133-E136 PolarHBondContact O-N 3.44Å; P133-E136 VanDerWaalsContact O-N 3.13Å; P133-K137 PolarHBondContact O-N 2.7Å
134R76.2Confident78.8Confident234 Ų23487.6 Ų87.688%0.88343%0.434SS*.Hα-helixtrans-56.2-32.3-172.2-73-178168.7-139-1.1114.3R138R134-R138 PolarHBondContact O-N 2.9Å
135N77.9Confident79.7Confident87 Ų8785.4 Ų85.447%0.46543%0.425SS..Hα-helixtrans-68.9-44.6178.752.4-61.7000112.2P133 K137 R138 T139P133-N135 VanDerWaalsContact CB-OD1 3.25Å; P133-N135 WeakPolarHBondContact CB-OD1 3.4Å; P133-N135 PolarHBondContact O-N 3.35Å; P133-N135 VanDerWaalsContact O-N 3.11Å; N135-K137 VanDerWaalsContact C-N 3.34Å; N135-K137 PolarHBondContact O-N 3.42Å; N135-R138 PolarHBondContact O-N 3.49Å; N135-T139 PolarHBondContact O-N 3.41Å; N135-T139 PolarHBondContact O-OG1 2.86Å
136E82.1Confident80.3Confident41 Ų4182.6 Ų82.619%0.19241%0.409CS..Hα-helixtrans-64.3-39.8178.2-78.2137.791.600111.6P133 R138 T139 L140 L205P133-E136 VanDerWaalsContact CB-OE2 3.29Å; P133-E136 WeakPolarHBondContact CB-OE2 3.46Å; P133-E136 WeakPolarHBondContact CD-OE2 3.4Å; P133-E136 VanDerWaalsContact CG-OE2 3.23Å; P133-E136 WeakPolarHBondContact CG-OE2 3.49Å; P133-E136 PolarHBondContact O-N 3.44Å; P133-E136 VanDerWaalsContact O-N 3.13Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.22Å; E136-T139 PolarHBondContact O-N 2.87Å; E136-L140 WeakPolarHBondContact O-CG 3.2Å; E136-L140 PolarHBondContact O-N 3.04Å; E136-L140 VanDerWaalsContact O-N 3.08Å; E136-L205 HydrophobicContact CB-CD2 4.32Å; E136-L205 HydrophobicContact CG-CD2 4.3Å
137K79.9Confident80.8Confident67 Ų6780.3 Ų80.329%0.29140%0.398SS..Hα-helixtrans-58.4-41.4174.5-59.5-165-171.5-168.80112.4D130 P131 G132 P133 N135 F141D130-K137 WeakPolarHBondContact OD1-CE 3.27Å; D130-K137 IonicContact OD1-NZ 2.75Å; D130-K137 PolarHBondContact OD1-NZ 3.07Å; D130-K137 IonicContact OD2-NZ 3.92Å; D130-K137 PolarHBondContact OD2-NZ 2.96Å; P131-K137 HydrophobicContact CB-CG 4.14Å; P131-K137 HydrophobicContact CG-CD 4.4Å; P131-K137 HydrophobicContact CG-CG 3.94Å; G132-K137 WeakPolarHBondContact O-CE 3.41Å; P133-K137 PolarHBondContact O-N 2.7Å; N135-K137 VanDerWaalsContact C-N 3.34Å; N135-K137 PolarHBondContact O-N 3.42Å; K137-F141 WeakPolarHBondContact O-CB 3.27Å; K137-F141 PolarHBondContact O-N 2.92Å
138R83.2Confident81.3Confident176 Ų17684.8 Ų84.866%0.66442%0.423SS*.Hα-helixtrans-67.9-43.8-178.9-175.8172.259.9-157.3-1.8111.6R134 N135 E136 L140 F141 C142R134-R138 PolarHBondContact O-N 2.9Å; N135-R138 PolarHBondContact O-N 3.49Å; E136-R138 VanDerWaalsContact C-N 3.3Å; E136-R138 PolarHBondContact O-N 3.22Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 3.26Å; R138-F141 PolarHBondContact O-N 3.03Å; R138-C142 WeakPolarHBondContact O-CB 3.19Å; R138-C142 PolarHBondContact O-N 3.37Å; R138-C142 PolarHBondContact O-SG 3.4Å
139T85.3Confident82.1Confident62 Ų6284.4 Ų84.438%0.3842%0.416SS..Hα-helixtrans-61.5-44.2177.3-53.60000111.3N135 E136 F141 C142 D143N135-T139 PolarHBondContact O-N 3.41Å; N135-T139 PolarHBondContact O-OG1 2.86Å; E136-T139 PolarHBondContact O-N 2.87Å; T139-F141 PolarHBondContact O-N 3.45Å; T139-C142 PolarHBondContact O-N 2.96Å; T139-D143 PolarHBondContact O-N 2.84Å
140L84.2Confident82.6Confident18 Ų1879.9 Ų79.99%0.09440%0.396CS..Hα-helixtrans-58.1-47.3174.4-81164.4000112.6W127 P131 E136 R138 D143 M144 H202 L205W127-L140 HydrophobicContact CH2-CD1 3.71Å; W127-L140 HydrophobicContact CH2-CD2 3.62Å; W127-L140 HydrophobicContact CH2-CG 4.36Å; W127-L140 HydrophobicContact CZ2-CD1 3.66Å; W127-L140 HydrophobicContact CZ2-CD2 4.23Å; P131-L140 HydrophobicContact CB-CD1 3.65Å; P131-L140 HydrophobicContact CG-CD1 4.07Å; E136-L140 WeakPolarHBondContact O-CG 3.2Å; E136-L140 PolarHBondContact O-N 3.04Å; E136-L140 VanDerWaalsContact O-N 3.08Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 3.26Å; L140-D143 PolarHBondContact O-N 3.01Å; L140-M144 WeakPolarHBondContact O-CB 3.22Å; L140-M144 VanDerWaalsContact O-CG 3.27Å; L140-M144 WeakPolarHBondContact O-CG 3.27Å; L140-M144 PolarHBondContact O-N 3.42Å; L140-H202 HydrophobicContact CD2-CB 4.38Å; L140-H202 WeakPolarHBondContact CD2-CE1 3.28Å; L140-H202 WeakPolarHBondContact CD2-ND1 3.38Å; L140-L205 HydrophobicContact CD1-CD2 4.3Å
141F84.9Confident83.5Confident145 Ų14578.5 Ų78.564%0.63639%0.391SS*.Hα-helixtrans-63.3-43.9179.2-176.2-98.2000111.6K137 R138 T139 M144 V145K137-F141 WeakPolarHBondContact O-CB 3.27Å; K137-F141 PolarHBondContact O-N 2.92Å; R138-F141 PolarHBondContact O-N 3.03Å; T139-F141 PolarHBondContact O-N 3.45Å; F141-M144 PolarHBondContact O-N 3.37Å; F141-V145 HydrophobicContact CD1-CG2 4.17Å; F141-V145 HydrophobicContact CE1-CG2 3.79Å; F141-V145 HydrophobicContact CE2-CG2 4.34Å; F141-V145 HydrophobicContact CZ-CG2 3.88Å; F141-V145 WeakPolarHBondContact O-CB 3.31Å; F141-V145 VanDerWaalsContact O-CG2 3.27Å; F141-V145 WeakPolarHBondContact O-CG2 3.48Å; F141-V145 PolarHBondContact O-N 3.41Å
142C87.1Confident84.6Confident62 Ų6280.9 Ų80.942%0.41941%0.407SS..Hα-helixtrans-59.1-48.5175.3-72.20000111.7R138 T139 M144 V145 C146R138-C142 WeakPolarHBondContact O-CB 3.19Å; R138-C142 PolarHBondContact O-N 3.37Å; R138-C142 PolarHBondContact O-SG 3.4Å; T139-C142 PolarHBondContact O-N 2.96Å; C142-M144 PolarHBondContact O-N 3.34Å; C142-V145 PolarHBondContact O-N 3.19Å; C142-C146 WeakPolarHBondContact O-CB 3.5Å; C142-C146 PolarHBondContact O-N 2.99Å; C142-C146 PolarHBondContact O-SG 2.98Å
143D88.3Confident85.5Confident25 Ų2585.1 Ų85.113%0.13442%0.422CS..Hα-helixtrans-63.4-40.5179.9-77.1-6.3000112.1T139 L140 C146 F147 S198 H202T139-D143 PolarHBondContact O-N 2.84Å; L140-D143 PolarHBondContact O-N 3.01Å; D143-C146 WeakPolarHBondContact O-CB 3.3Å; D143-C146 PolarHBondContact O-N 3.18Å; D143-F147 HydrophobicContact CB-CE2 4.22Å; D143-F147 WeakPolarHBondContact O-CD2 3.31Å; D143-F147 WeakPolarHBondContact O-CG 3.43Å; D143-F147 PolarHBondContact O-N 3.25Å; D143-S198 PolarHBondContact OD2-OG 2.95Å; D143-H202 IonicContact OD2-CD2 3.93Å; D143-H202 IonicContact OD2-CE1 2.76Å; D143-H202 PolarHBondContact OD2-CE1 3.42Å; D143-H202 IonicContact OD2-NE2 2.8Å; D143-H202 PolarHBondContact OD2-NE2 2.82Å
144M85.9Confident86.3Confident108 Ų10883 Ų8353%0.53241%0.412SS..Hα-helixtrans-62-45.1175-72.7-66.1111.600112.3L140 F141 C142 F147 L148L140-M144 WeakPolarHBondContact O-CB 3.22Å; L140-M144 VanDerWaalsContact O-CG 3.27Å; L140-M144 WeakPolarHBondContact O-CG 3.27Å; L140-M144 PolarHBondContact O-N 3.42Å; F141-M144 PolarHBondContact O-N 3.37Å; C142-M144 PolarHBondContact O-N 3.34Å; M144-F147 HydrophobicContact CE-CD2 4.03Å; M144-F147 HydrophobicContact CE-CE2 4.37Å; M144-F147 PolarHBondContact O-N 3.44Å; M144-L148 WeakPolarHBondContact O-CB 3.39Å; M144-L148 PolarHBondContact O-N 3.3Å
145V89.9Confident86.9Confident54 Ų5475 Ų7533%0.32740%0.395SS..Hα-helixtrans-62.6-44.6175.3170.30000110.2F141 C142 F147 L148 F149F141-V145 HydrophobicContact CD1-CG2 4.17Å; F141-V145 HydrophobicContact CE1-CG2 3.79Å; F141-V145 HydrophobicContact CE2-CG2 4.34Å; F141-V145 HydrophobicContact CZ-CG2 3.88Å; F141-V145 WeakPolarHBondContact O-CB 3.31Å; F141-V145 VanDerWaalsContact O-CG2 3.27Å; F141-V145 WeakPolarHBondContact O-CG2 3.48Å; F141-V145 PolarHBondContact O-N 3.41Å; C142-V145 PolarHBondContact O-N 3.19Å; V145-F147 PolarHBondContact O-N 3.31Å; V145-L148 PolarHBondContact O-N 2.86Å; V145-F149 HydrophobicContact CG1-CD2 3.82Å; V145-F149 HydrophobicContact CG1-CE2 3.91Å; V145-F149 WeakPolarHBondContact O-CD2 3.31Å; V145-F149 PolarHBondContact O-N 3.01Å; V145-F149 VanDerWaalsContact O-N 3.16Å
146C89.2Confident87.6Confident45 Ų4575.4 Ų75.430%0.30440%0.396SS..Hα-helixtrans-58.4-46.9175.2-74.90000111.8C142 D143 L148 F149 I150 W194C142-C146 WeakPolarHBondContact O-CB 3.5Å; C142-C146 PolarHBondContact O-N 2.99Å; C142-C146 PolarHBondContact O-SG 2.98Å; D143-C146 WeakPolarHBondContact O-CB 3.3Å; D143-C146 PolarHBondContact O-N 3.18Å; C146-L148 PolarHBondContact O-N 3.46Å; C146-F149 PolarHBondContact O-N 2.98Å; C146-I150 HydrophobicContact CB-CD1 3.91Å; C146-I150 WeakPolarHBondContact O-CA 3.26Å; C146-I150 WeakPolarHBondContact O-CB 3.12Å; C146-I150 WeakPolarHBondContact O-CG1 3.05Å; C146-I150 PolarHBondContact O-N 2.92Å; C146-W194 HydrophobicContact CB-CH2 3.71Å; C146-W194 HydrophobicContact CB-CZ3 4.39Å
147F89.2Confident87.9Confident41 Ų4176 Ų7618%0.1841%0.405CS..Hα-helixtrans-62.9-40.3175.7-68.6-52.5000112.5D143 M144 V145 F149 T151 W194 T195D143-F147 HydrophobicContact CB-CE2 4.22Å; D143-F147 WeakPolarHBondContact O-CD2 3.31Å; D143-F147 WeakPolarHBondContact O-CG 3.43Å; D143-F147 PolarHBondContact O-N 3.25Å; M144-F147 HydrophobicContact CE-CD2 4.03Å; M144-F147 HydrophobicContact CE-CE2 4.37Å; M144-F147 PolarHBondContact O-N 3.44Å; V145-F147 PolarHBondContact O-N 3.31Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 3.01Å; F147-T151 VanDerWaalsContact O-CB 3.24Å; F147-T151 WeakPolarHBondContact O-CB 3.17Å; F147-T151 PolarHBondContact O-N 3.1Å; F147-T151 PolarHBondContact O-OG1 3.19Å; F147-W194 AromaticContact CD1-CZ3 3.89Å; F147-W194 HydrophobicContact CD1-CZ3 3.89Å; F147-W194 AromaticContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CH2 4.09Å; F147-W194 AromaticContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CZ-CE3 4.35Å; F147-W194 HydrophobicContact CZ-CH2 4.14Å; F147-W194 AromaticContact CZ-CZ3 3.77Å; F147-W194 HydrophobicContact CZ-CZ3 3.77Å; F147-T195 HydrophobicContact CD1-CG2 4.05Å; F147-T195 HydrophobicContact CE1-CG2 3.37Å; F147-T195 HydrophobicContact CZ-CG2 4.34Å
148L89.9Confident88.3Confident118 Ų11874.3 Ų74.362%0.61841%0.406SS*.Hα-helixtrans-59.8-38.8-179.8-177.264.1000112.4M144 V145 C146 P152M144-L148 WeakPolarHBondContact O-CB 3.39Å; M144-L148 PolarHBondContact O-N 3.3Å; V145-L148 PolarHBondContact O-N 2.86Å; C146-L148 PolarHBondContact O-N 3.46Å; L148-P152 WeakPolarHBondContact O-CD 3.42Å; L148-P152 VanDerWaalsContact O-CG 3.27Å; L148-P152 WeakPolarHBondContact O-CG 3.45Å
149F91.1Very high88.7Confident124 Ų12473.4 Ų73.454%0.54440%0.403SS..Hα-helixtrans-98-38.8-176.4-67.1-70.1000113.9V145 C146 F147 P152 L153V145-F149 HydrophobicContact CG1-CD2 3.82Å; V145-F149 HydrophobicContact CG1-CE2 3.91Å; V145-F149 WeakPolarHBondContact O-CD2 3.31Å; V145-F149 PolarHBondContact O-N 3.01Å; V145-F149 VanDerWaalsContact O-N 3.16Å; C146-F149 PolarHBondContact O-N 2.98Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 3.01Å; F149-P152 WeakPolarHBondContact O-CD 3.43Å; F149-P152 WeakPolarHBondContact O-CG 3.39Å; F149-L153 WeakPolarHBondContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CD1 3.49Å; F149-L153 WeakPolarHBondContact O-CG 3.44Å; F149-L153 PolarHBondContact O-N 3.46Å
150I88.3Confident88.9Confident70 Ų7075.8 Ų75.836%0.35941%0.413SS..Hα-helixtrans-75-36.8-175.1-60.6176.5000111.4C146 L153 A154 Y191C146-I150 HydrophobicContact CB-CD1 3.91Å; C146-I150 WeakPolarHBondContact O-CA 3.26Å; C146-I150 WeakPolarHBondContact O-CB 3.12Å; C146-I150 WeakPolarHBondContact O-CG1 3.05Å; C146-I150 PolarHBondContact O-N 2.92Å; I150-L153 PolarHBondContact O-N 2.84Å; I150-A154 VanDerWaalsContact O-CB 3.28Å; I150-A154 WeakPolarHBondContact O-CB 3.35Å; I150-A154 PolarHBondContact O-N 3.46Å; I150-Y191 HydrophobicContact CB-CE2 4.2Å; I150-Y191 HydrophobicContact CG2-CD2 3.67Å; I150-Y191 HydrophobicContact CG2-CE2 3.57Å
151T88.7Confident89.1Confident61 Ų6176.4 Ų76.437%0.37442%0.418SS..Hα-helixtrans-58.7-51.8179.4-43.30000113.1F147 L153 A154 A155 Y191F147-T151 VanDerWaalsContact O-CB 3.24Å; F147-T151 WeakPolarHBondContact O-CB 3.17Å; F147-T151 PolarHBondContact O-N 3.1Å; F147-T151 PolarHBondContact O-OG1 3.19Å; T151-L153 PolarHBondContact O-N 3.41Å; T151-A154 PolarHBondContact O-N 2.98Å; T151-A155 WeakPolarHBondContact O-CB 3.45Å; T151-A155 PolarHBondContact O-N 3.29Å; T151-Y191 WeakPolarHBondContact CB-OH 3.24Å; T151-Y191 PolarHBondContact OG1-OH 2.93Å
152P92.2Very high89.1Confident63 Ų6374.7 Ų74.741%0.40942%0.415SS..Hα-helixtrans-67-37.117825.7-34.3000111.9L148 F149 A154 A155 I156L148-P152 WeakPolarHBondContact O-CD 3.42Å; L148-P152 VanDerWaalsContact O-CG 3.27Å; L148-P152 WeakPolarHBondContact O-CG 3.45Å; F149-P152 WeakPolarHBondContact O-CD 3.43Å; F149-P152 WeakPolarHBondContact O-CG 3.39Å; P152-A154 PolarHBondContact O-N 2.71Å; P152-A155 PolarHBondContact O-N 3.31Å; P152-I156 WeakPolarHBondContact O-CB 3.18Å; P152-I156 WeakPolarHBondContact O-CD1 3.17Å; P152-I156 WeakPolarHBondContact O-CG1 3.37Å; P152-I156 PolarHBondContact O-N 3.28Å
153L89.8Confident89.1Confident114 Ų11479.2 Ų79.260%0.59742%0.424SS*.Hα-helixtrans-63.1-42.6176.8-70.7173.8000111.9F149 I150 T151 I156 S157F149-L153 WeakPolarHBondContact O-CB 3.25Å; F149-L153 WeakPolarHBondContact O-CD1 3.49Å; F149-L153 WeakPolarHBondContact O-CG 3.44Å; F149-L153 PolarHBondContact O-N 3.46Å; I150-L153 PolarHBondContact O-N 2.84Å; T151-L153 PolarHBondContact O-N 3.41Å; L153-I156 PolarHBondContact O-N 3.13Å; L153-S157 WeakPolarHBondContact O-CB 3.37Å; L153-S157 PolarHBondContact O-N 3.4Å
154A88.5Confident88.9Confident29 Ų2979 Ų7924%0.2443%0.427CS..Hα-helixtrans-65.4-40.6175.700000111.7I150 T151 P152 S157 G158I150-A154 VanDerWaalsContact O-CB 3.28Å; I150-A154 WeakPolarHBondContact O-CB 3.35Å; I150-A154 PolarHBondContact O-N 3.46Å; T151-A154 PolarHBondContact O-N 2.98Å; P152-A154 PolarHBondContact O-N 2.71Å; A154-S157 PolarHBondContact O-N 2.88Å; A154-G158 PolarHBondContact O-N 3.32Å
155A88.9Confident88.8Confident64 Ų6474 Ų7453%0.52940%0.403SS..Hα-helixtrans-64.8-45.1176.300000112.2T151 P152 G158 W159T151-A155 WeakPolarHBondContact O-CB 3.45Å; T151-A155 PolarHBondContact O-N 3.29Å; P152-A155 PolarHBondContact O-N 3.31Å; A155-G158 PolarHBondContact O-N 3.23Å; A155-W159 WeakPolarHBondContact O-CB 3.46Å; A155-W159 PolarHBondContact O-N 3.27Å
156I92.1Very high88.5Confident97 Ų9778.1 Ų78.150%0.49742%0.419SS..Hα-helixtrans-65.2-44.2176.8-66.7164.4000110.3P152 L153 W159 L160P152-I156 WeakPolarHBondContact O-CB 3.18Å; P152-I156 WeakPolarHBondContact O-CD1 3.17Å; P152-I156 WeakPolarHBondContact O-CG1 3.37Å; P152-I156 PolarHBondContact O-N 3.28Å; L153-I156 PolarHBondContact O-N 3.13Å; I156-W159 PolarHBondContact O-N 3.32Å; I156-L160 HydrophobicContact CG2-CD1 3.87Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.05Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 3.44Å
157S89.4Confident88.1Confident54 Ų5481.1 Ų81.138%0.37843%0.432SS..Hα-helixtrans-59.2-47.6176173.10000111.5L153 A154 W159 L160 C161L153-S157 WeakPolarHBondContact O-CB 3.37Å; L153-S157 PolarHBondContact O-N 3.4Å; A154-S157 PolarHBondContact O-N 2.88Å; S157-W159 VanDerWaalsContact C-N 3.34Å; S157-W159 PolarHBondContact O-N 3.49Å; S157-L160 PolarHBondContact O-N 2.95Å; S157-C161 WeakPolarHBondContact O-CB 3.23Å; S157-C161 PolarHBondContact O-N 2.82Å; S157-C161 PolarHBondContact O-SG 3.45Å
158G88.2Confident87.5Confident31 Ų3182.6 Ų82.632%0.3244%0.439SS..Hα-helixtrans-59.8-43.317600000112.6A154 A155 C161 L162A154-G158 PolarHBondContact O-N 3.32Å; A155-G158 PolarHBondContact O-N 3.23Å; G158-C161 PolarHBondContact O-N 2.94Å; G158-L162 PolarHBondContact O-N 3.45Å
159W91.8Very high86.6Confident157 Ų15782.4 Ų82.460%0.59544%0.438SS*.Hα-helixtrans-63.2-46.3177.1-179.6-93.4000112.8A155 I156 S157 L162 R163A155-W159 WeakPolarHBondContact O-CB 3.46Å; A155-W159 PolarHBondContact O-N 3.27Å; I156-W159 PolarHBondContact O-N 3.32Å; S157-W159 VanDerWaalsContact C-N 3.34Å; S157-W159 PolarHBondContact O-N 3.49Å; W159-L162 PolarHBondContact O-N 2.88Å; W159-R163 PolarHBondContact O-N 3.47Å; W159-R163 VanDerWaalsContact O-N 3.08Å
160L90Very high85.9Confident111 Ų11184.5 Ų84.558%0.58145%0.449SS*.Hα-helixtrans-63.7-41.3178.1-72.3174.1000111.6I156 S157 L162 R163 G164I156-L160 HydrophobicContact CG2-CD1 3.87Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.05Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 3.44Å; S157-L160 PolarHBondContact O-N 2.95Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.26Å; L160-R163 PolarHBondContact O-N 2.97Å; L160-G164 PolarHBondContact O-N 2.94Å
161C87.6Confident85.1Confident31 Ų3188.8 Ų88.821%0.20947%0.47CS..Hα-helixtrans-66.5-35.4176.9-70.90000112.5S157 G158 G164 A165 T184S157-C161 WeakPolarHBondContact O-CB 3.23Å; S157-C161 PolarHBondContact O-N 2.82Å; S157-C161 PolarHBondContact O-SG 3.45Å; G158-C161 PolarHBondContact O-N 2.94Å; C161-G164 PolarHBondContact O-N 3.4Å; C161-A165 VanDerWaalsContact O-CB 3.3Å; C161-A165 WeakPolarHBondContact O-CB 3.29Å; C161-A165 PolarHBondContact O-N 2.75Å; C161-T184 HydrophobicContact CB-CG2 3.3Å; C161-T184 WeakPolarHBondContact SG-CG2 3.41Å
162L84.5Confident84.4Confident110 Ų11089 Ų8958%0.57648%0.484SS*.Hα-helixtrans-66.6-43.8175.7-172.263.5000111.7G158 W159 L160 A165 Q166G158-L162 PolarHBondContact O-N 3.45Å; W159-L162 PolarHBondContact O-N 2.88Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.26Å; L162-A165 PolarHBondContact O-N 3.11Å; L162-Q166 PolarHBondContact O-N 2.86Å; L162-Q166 VanDerWaalsContact O-N 3.09Å
163R87.9Confident83.7Confident157 Ų15787.8 Ų87.859%0.59248%0.477SS*.Hα-helixtrans-62.2-47.8173-82.7-143.7-172-150.67.9112.3W159 L160 A165 Q166 D167W159-R163 PolarHBondContact O-N 3.47Å; W159-R163 VanDerWaalsContact O-N 3.08Å; L160-R163 PolarHBondContact O-N 2.97Å; R163-A165 VanDerWaalsContact C-N 3.29Å; R163-A165 PolarHBondContact O-N 3.32Å; R163-Q166 WeakPolarHBondContact O-CB 3.25Å; R163-Q166 PolarHBondContact O-N 2.97Å; R163-Q166 VanDerWaalsContact O-N 3.08Å; R163-D167 PolarHBondContact O-N 3.36Å
164G84.1Confident83.3Confident21 Ų2190.2 Ų90.222%0.21648%0.478CS..Hα-helixtrans-62.2-36.6-179.900000112.8L160 C161 D167 H168L160-G164 PolarHBondContact O-N 2.94Å; C161-G164 PolarHBondContact O-N 3.4Å; G164-D167 PolarHBondContact O-N 3.38Å; G164-H168 PolarHBondContact O-N 2.89Å; G164-H168 PolarHBondContact O-ND1 3.36Å
165A83.5Confident83Confident3 Ų394.6 Ų94.63%0.02550%0.497CS..Hα-helixtrans-64.6-41.6172.700000111.8C161 L162 R163 D167 H168 L169 A177 I181C161-A165 VanDerWaalsContact O-CB 3.3Å; C161-A165 WeakPolarHBondContact O-CB 3.29Å; C161-A165 PolarHBondContact O-N 2.75Å; L162-A165 PolarHBondContact O-N 3.11Å; R163-A165 VanDerWaalsContact C-N 3.29Å; R163-A165 PolarHBondContact O-N 3.32Å; A165-D167 VanDerWaalsContact C-N 3.32Å; A165-D167 PolarHBondContact O-N 3.37Å; A165-H168 PolarHBondContact O-N 2.99Å; A165-L169 VanDerWaalsContact O-CG 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.48Å; A165-L169 PolarHBondContact O-N 3.36Å; A165-A177 HydrophobicContact CB-CB 4.4Å; A165-I181 HydrophobicContact CB-CD1 3.83Å; A165-I181 HydrophobicContact CB-CG1 3.91Å
166Q83.6Confident82.8Confident140 Ų14097.4 Ų97.465%0.65450%0.499SS*.Hα-helixtrans-62.2-39.1176.5-172.5164.4-2000112.3L162 R163L162-Q166 PolarHBondContact O-N 2.86Å; L162-Q166 VanDerWaalsContact O-N 3.09Å; R163-Q166 WeakPolarHBondContact O-CB 3.25Å; R163-Q166 PolarHBondContact O-N 2.97Å; R163-Q166 VanDerWaalsContact O-N 3.08Å
167D81.1Confident82.5Confident107 Ų10792.8 Ų92.857%0.57248%0.476SS*.Hα-helixtrans-69.7-36.8175.9-66.3-27.7000112.3R163 G164 A165 H170R163-D167 PolarHBondContact O-N 3.36Å; G164-D167 PolarHBondContact O-N 3.38Å; A165-D167 VanDerWaalsContact C-N 3.32Å; A165-D167 PolarHBondContact O-N 3.37Å; D167-H170 WeakPolarHBondContact O-CB 3.2Å; D167-H170 PolarHBondContact O-N 2.87Å
168H77.1Confident82.4Confident72 Ų7293.7 Ų93.733%0.33348%0.479SS..Hα-helixtrans-75.1-29.2178.8-80.364.5000113.5G164 A165 H170 M171 G172 A177G164-H168 PolarHBondContact O-N 2.89Å; G164-H168 PolarHBondContact O-ND1 3.36Å; A165-H168 PolarHBondContact O-N 2.99Å; H168-H170 PolarHBondContact O-N 3.45Å; H168-M171 PolarHBondContact O-N 2.9Å; H168-M171 VanDerWaalsContact O-N 3.14Å; H168-G172 PolarHBondContact O-N 3.4Å; H168-A177 HydrophobicContact CB-CB 4.21Å
169L70.8Confident82.4Confident115 Ų11594.2 Ų94.260%0.60249%0.485SS*.Hα-helixtrans-62.7-27171.8-73.9169.3000111.8A165A165-L169 VanDerWaalsContact O-CG 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.48Å; A165-L169 PolarHBondContact O-N 3.36Å
170H75.1Confident82.1Confident167 Ų16790.1 Ų90.177%0.77347%0.474SS*.Hα-helixtrans-77.2-29.2174.5-168.4-102.7000113D167 H168D167-H170 WeakPolarHBondContact O-CB 3.2Å; D167-H170 PolarHBondContact O-N 2.87Å; H168-H170 PolarHBondContact O-N 3.45Å
171M72.8Confident82Confident160 Ų16087.9 Ų87.979%0.78846%0.462SS*.Hα-helixtrans-93-0.3-176.9-64.8-75.6-95.500113.9H168H168-M171 PolarHBondContact O-N 2.9Å; H168-M171 VanDerWaalsContact O-N 3.14Å
172G73.1Confident82.2Confident65 Ų6589.1 Ų89.167%0.6747%0.474SS*.THydrogen-bonded Turntrans87.72.117000000116.8H168 W174H168-G172 PolarHBondContact O-N 3.4Å; G172-W174 PolarHBondContact O-N 2.91Å
173S78.8Confident82.4Confident39 Ų3988.7 Ų88.727%0.27347%0.472SS..  trans-94.264.6-178.758.10000113.8L175 Q176S173-L175 VanDerWaalsContact C-N 3.32Å; S173-L175 PolarHBondContact O-N 3.18Å; S173-L175 VanDerWaalsContact O-N 3.17Å; S173-Q176 PolarHBondContact O-N 3.38Å; S173-Q176 PolarHBondContact OG-OE1 2.84Å
174W80.2Confident82.4Confident164 Ų16482.6 Ų82.662%0.62145%0.452SS*.Hα-helixtrans-55.6-37.4-172.288.2-75.5000115G172 Q176 A177 V178G172-W174 PolarHBondContact O-N 2.91Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-Q176 PolarHBondContact O-N 3.23Å; W174-A177 PolarHBondContact O-N 2.92Å; W174-V178 HydrophobicContact CE3-CG2 3.7Å; W174-V178 HydrophobicContact CZ3-CG2 4.02Å; W174-V178 VanDerWaalsContact O-CG2 3.32Å; W174-V178 WeakPolarHBondContact O-CG2 3.45Å; W174-V178 PolarHBondContact O-N 2.77Å
175L83.4Confident82.7Confident122 Ų12286.3 Ų86.364%0.63947%0.466SS*.Hα-helixtrans-62.3-37.4-178.3-67.5173.3000112.8S173 G179S173-L175 VanDerWaalsContact C-N 3.32Å; S173-L175 PolarHBondContact O-N 3.18Å; S173-L175 VanDerWaalsContact O-N 3.17Å; L175-G179 PolarHBondContact O-N 2.66Å; L175-G179 VanDerWaalsContact O-N 3.07Å
176Q83.6Confident83.1Confident122 Ų12288.2 Ų88.257%0.5748%0.482SS*.Hα-helixtrans-72-41.1179.8-69173.6-17.600111S173 W174 G179 L180S173-Q176 PolarHBondContact O-N 3.38Å; S173-Q176 PolarHBondContact OG-OE1 2.84Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-Q176 PolarHBondContact O-N 3.23Å; Q176-G179 PolarHBondContact O-N 3.31Å; Q176-L180 WeakPolarHBondContact O-CG 2.97Å; Q176-L180 PolarHBondContact O-N 3.39Å; Q176-L180 VanDerWaalsContact O-N 3.09Å
177A86.1Confident83.3Confident1 Ų186.3 Ų86.31%0.00848%0.476CS..Hα-helixtrans-63.7-44.617600000111.8A165 H168 W174 G179 L180 I181A165-A177 HydrophobicContact CB-CB 4.4Å; H168-A177 HydrophobicContact CB-CB 4.21Å; W174-A177 PolarHBondContact O-N 2.92Å; A177-G179 VanDerWaalsContact C-N 3.35Å; A177-G179 PolarHBondContact O-N 2.85Å; A177-L180 PolarHBondContact O-N 2.95Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.33Å; A177-I181 PolarHBondContact O-N 2.97Å
178V86.9Confident83.7Confident72 Ų7287.1 Ų87.144%0.43647%0.474SS..Hα-helixtrans-62.7-41.6177.2172.90000111.3W174 I181 A182W174-V178 HydrophobicContact CE3-CG2 3.7Å; W174-V178 HydrophobicContact CZ3-CG2 4.02Å; W174-V178 VanDerWaalsContact O-CG2 3.32Å; W174-V178 WeakPolarHBondContact O-CG2 3.45Å; W174-V178 PolarHBondContact O-N 2.77Å; V178-I181 PolarHBondContact O-N 3.28Å; V178-A182 WeakPolarHBondContact O-CB 3.28Å; V178-A182 PolarHBondContact O-N 3.13Å
179G88.4Confident84.4Confident43 Ų4386.9 Ų86.944%0.44348%0.478SS..Hα-helixtrans-61-43.7176.200000113.2L175 Q176 A177 A182 L183L175-G179 PolarHBondContact O-N 2.66Å; L175-G179 VanDerWaalsContact O-N 3.07Å; Q176-G179 PolarHBondContact O-N 3.31Å; A177-G179 VanDerWaalsContact C-N 3.35Å; A177-G179 PolarHBondContact O-N 2.85Å; G179-A182 PolarHBondContact O-N 3.48Å; G179-L183 WeakPolarHBondContact O-CB 3.34Å; G179-L183 PolarHBondContact O-N 3.08Å
180L86.4Confident85.4Confident71 Ų7186.4 Ų86.437%0.37248%0.475SS..Hα-helixtrans-66-42.9177.1-72.1172000112.2Q176 A177 L183 T184Q176-L180 WeakPolarHBondContact O-CG 2.97Å; Q176-L180 PolarHBondContact O-N 3.39Å; Q176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 2.95Å; L180-L183 PolarHBondContact O-N 3.36Å; L180-T184 WeakPolarHBondContact O-CG2 3.01Å; L180-T184 PolarHBondContact O-N 3.31Å; L180-T184 PolarHBondContact O-OG1 3.24Å
181I87.5Confident86.1Confident64 Ų6480.2 Ų80.233%0.32845%0.445SS..Hα-helixtrans-64-43.5176.6-66.8165.5000110.8A165 A177 V178 L183 T184 I185A165-I181 HydrophobicContact CB-CD1 3.83Å; A165-I181 HydrophobicContact CB-CG1 3.91Å; A177-I181 VanDerWaalsContact O-CG1 3.29Å; A177-I181 WeakPolarHBondContact O-CG1 3.33Å; A177-I181 PolarHBondContact O-N 2.97Å; V178-I181 PolarHBondContact O-N 3.28Å; I181-L183 PolarHBondContact O-N 3.19Å; I181-T184 PolarHBondContact O-N 2.92Å; I181-T184 PolarHBondContact O-OG1 3.34Å; I181-I185 HydrophobicContact CG2-CD1 3.74Å; I181-I185 HydrophobicContact CG2-CG1 4.42Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.44Å; I181-I185 PolarHBondContact O-N 3.35Å
182A90.8Very high86.9Confident56 Ų5675 Ų7546%0.46342%0.422SS..Hα-helixtrans-63.5-42.3178.300000111.8V178 G179 I185 A186V178-A182 WeakPolarHBondContact O-CB 3.28Å; V178-A182 PolarHBondContact O-N 3.13Å; G179-A182 PolarHBondContact O-N 3.48Å; A182-I185 PolarHBondContact O-N 3.02Å; A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.5Å
183L88.7Confident87.9Confident102 Ų10277.1 Ų77.153%0.53442%0.417SS..Hα-helixtrans-61.7-44.5176.1-173.783.6000111.7G179 L180 I181 A186 L187G179-L183 WeakPolarHBondContact O-CB 3.34Å; G179-L183 PolarHBondContact O-N 3.08Å; L180-L183 PolarHBondContact O-N 3.36Å; I181-L183 PolarHBondContact O-N 3.19Å; L183-A186 PolarHBondContact O-N 3.49Å; L183-L187 HydrophobicContact CD2-CD1 4.44Å; L183-L187 HydrophobicContact CG-CD1 4.17Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 3.3Å
184T88.6Confident88.5Confident29 Ų2980 Ų8018%0.17842%0.422CS..Hα-helixtrans-67.3-41.2-179.358.90000112.1C161 L180 I181 A186 L187 F188C161-T184 HydrophobicContact CB-CG2 3.3Å; C161-T184 WeakPolarHBondContact SG-CG2 3.41Å; L180-T184 WeakPolarHBondContact O-CG2 3.01Å; L180-T184 PolarHBondContact O-N 3.31Å; L180-T184 PolarHBondContact O-OG1 3.24Å; I181-T184 PolarHBondContact O-N 2.92Å; I181-T184 PolarHBondContact O-OG1 3.34Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 3.3Å; T184-L187 PolarHBondContact O-N 3.36Å; T184-F188 VanDerWaalsContact O-CB 3.24Å; T184-F188 WeakPolarHBondContact O-CB 3Å; T184-F188 PolarHBondContact O-N 3.32Å
185I90.1Very high89Confident99 Ų9973.5 Ų73.551%0.50840%0.401SS..Hα-helixtrans-60.2-46.4173.4-68169.2000109.9I181 A182 F188 T189I181-I185 HydrophobicContact CG2-CD1 3.74Å; I181-I185 HydrophobicContact CG2-CG1 4.42Å; I181-I185 VanDerWaalsContact O-CG1 3.27Å; I181-I185 WeakPolarHBondContact O-CG1 3.44Å; I181-I185 PolarHBondContact O-N 3.35Å; A182-I185 PolarHBondContact O-N 3.02Å; I185-F188 PolarHBondContact O-N 2.97Å; I185-T189 HydrophobicContact CG2-CG2 4.17Å; I185-T189 WeakPolarHBondContact O-CG2 3.27Å; I185-T189 PolarHBondContact O-N 3.45Å; I185-T189 PolarHBondContact O-OG1 3.47Å
186A92.3Very high89.3Confident43 Ų4371.9 Ų71.936%0.35539%0.393SS..Hα-helixtrans-60-50.3178.400000112.1A182 L183 T184 F188 T189 I190A182-A186 WeakPolarHBondContact O-CB 3.34Å; A182-A186 PolarHBondContact O-N 3.5Å; L183-A186 PolarHBondContact O-N 3.49Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 3.3Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.23Å; A186-T189 PolarHBondContact O-N 3.37Å; A186-T189 PolarHBondContact O-OG1 3.28Å; A186-I190 VanDerWaalsContact O-CG1 3.32Å; A186-I190 WeakPolarHBondContact O-CG1 3.44Å; A186-I190 PolarHBondContact O-N 2.55Å
187L88Confident89.8Confident100 Ų10071 Ų7152%0.52440%0.395SS..Hα-helixtrans-62-40.5178.1-69.5174.3000112.4L183 T184 I190 Y191L183-L187 HydrophobicContact CD2-CD1 4.44Å; L183-L187 HydrophobicContact CG-CD1 4.17Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 3.3Å; T184-L187 PolarHBondContact O-N 3.36Å; L187-I190 PolarHBondContact O-N 2.99Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.41Å
188F89.3Confident90Very high123 Ų12371.4 Ų71.454%0.53940%0.398SS..Hα-helixtrans-64.2-42.7175.6-174.8-100.1000111.6T184 I185 A186 Y191 V192T184-F188 VanDerWaalsContact O-CB 3.24Å; T184-F188 WeakPolarHBondContact O-CB 3Å; T184-F188 PolarHBondContact O-N 3.32Å; I185-F188 PolarHBondContact O-N 2.97Å; A186-F188 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.23Å; F188-Y191 PolarHBondContact O-N 3.45Å; F188-V192 HydrophobicContact CD1-CG2 4.05Å; F188-V192 HydrophobicContact CE1-CG2 3.66Å; F188-V192 HydrophobicContact CE2-CG2 4.3Å; F188-V192 HydrophobicContact CZ-CG2 3.8Å; F188-V192 WeakPolarHBondContact O-CG2 3.47Å; F188-V192 PolarHBondContact O-N 3.14Å
189T91.3Very high90.1Very high67 Ų6774.2 Ų74.241%0.41141%0.405SS..Hα-helixtrans-63.6-42.6176.963.60000112I185 A186 Y191 V192 L193I185-T189 HydrophobicContact CG2-CG2 4.17Å; I185-T189 WeakPolarHBondContact O-CG2 3.27Å; I185-T189 PolarHBondContact O-N 3.45Å; I185-T189 PolarHBondContact O-OG1 3.47Å; A186-T189 PolarHBondContact O-N 3.37Å; A186-T189 PolarHBondContact O-OG1 3.28Å; T189-Y191 VanDerWaalsContact C-N 3.34Å; T189-Y191 PolarHBondContact O-N 3.14Å; T189-V192 PolarHBondContact O-N 3.44Å; T189-L193 WeakPolarHBondContact O-CB 3.27Å; T189-L193 VanDerWaalsContact O-CG 3.28Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 3.5Å
190I92.4Very high90.2Very high106 Ų10680.2 Ų80.254%0.54441%0.414SS..Hα-helixtrans-61.3-45.9175.7-67.8164.8000110.1A186 L187 L193 W194A186-I190 VanDerWaalsContact O-CG1 3.32Å; A186-I190 WeakPolarHBondContact O-CG1 3.44Å; A186-I190 PolarHBondContact O-N 2.55Å; L187-I190 PolarHBondContact O-N 2.99Å; I190-L193 PolarHBondContact O-N 3.02Å; I190-W194 WeakPolarHBondContact O-CB 3.48Å; I190-W194 PolarHBondContact O-N 3.41Å
191Y89.4Confident90.4Very high37 Ų3781.8 Ų81.815%0.14542%0.415CS..Hα-helixtrans-60.2-48.5177.1170.8-98.8000111.6I150 T151 L187 F188 T189 L193 W194 T195I150-Y191 HydrophobicContact CB-CE2 4.2Å; I150-Y191 HydrophobicContact CG2-CD2 3.67Å; I150-Y191 HydrophobicContact CG2-CE2 3.57Å; T151-Y191 WeakPolarHBondContact CB-OH 3.24Å; T151-Y191 PolarHBondContact OG1-OH 2.93Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.41Å; F188-Y191 PolarHBondContact O-N 3.45Å; T189-Y191 VanDerWaalsContact C-N 3.34Å; T189-Y191 PolarHBondContact O-N 3.14Å; Y191-L193 PolarHBondContact O-N 3.22Å; Y191-W194 PolarHBondContact O-N 3.36Å; Y191-T195 HydrophobicContact CD1-CG2 3.97Å; Y191-T195 HydrophobicContact CD2-CG2 4.02Å; Y191-T195 HydrophobicContact CE1-CG2 3.56Å; Y191-T195 HydrophobicContact CE2-CG2 3.64Å; Y191-T195 HydrophobicContact CG-CG2 4.17Å; Y191-T195 WeakPolarHBondContact O-CG2 3.45Å; Y191-T195 PolarHBondContact O-N 2.97Å
192V89.9Confident90.3Very high49 Ų4979.5 Ų79.530%0.29740%0.403SS..Hα-helixtrans-61.5-41.9177.5170.50000111.7F188 T189 T195 L196F188-V192 HydrophobicContact CD1-CG2 4.05Å; F188-V192 HydrophobicContact CE1-CG2 3.66Å; F188-V192 HydrophobicContact CE2-CG2 4.3Å; F188-V192 HydrophobicContact CZ-CG2 3.8Å; F188-V192 WeakPolarHBondContact O-CG2 3.47Å; F188-V192 PolarHBondContact O-N 3.14Å; T189-V192 PolarHBondContact O-N 3.44Å; V192-T195 PolarHBondContact O-N 2.7Å; V192-T195 PolarHBondContact O-OG1 3.33Å; V192-L196 HydrophobicContact CG1-CD1 3.87Å; V192-L196 HydrophobicContact CG1-CG 4.3Å; V192-L196 WeakPolarHBondContact O-CB 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 3.5Å
193L93.2Very high90.1Very high110 Ų11079.3 Ų79.358%0.57640%0.398SS*.Hα-helixtrans-63.2-43.7176-71.9173.1000111.5T189 I190 Y191 L196 V197T189-L193 WeakPolarHBondContact O-CB 3.27Å; T189-L193 VanDerWaalsContact O-CG 3.28Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 3.5Å; I190-L193 PolarHBondContact O-N 3.02Å; Y191-L193 PolarHBondContact O-N 3.22Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 3.44Å
194W92.1Very high90.1Very high99 Ų9980.2 Ų80.238%0.37540%0.399SS..Hα-helixtrans-62-45.1176.1-18077.6000111.8C146 F147 I190 Y191 L196 V197 S198C146-W194 HydrophobicContact CB-CH2 3.71Å; C146-W194 HydrophobicContact CB-CZ3 4.39Å; F147-W194 AromaticContact CD1-CZ3 3.89Å; F147-W194 HydrophobicContact CD1-CZ3 3.89Å; F147-W194 AromaticContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CE3 3.88Å; F147-W194 HydrophobicContact CE1-CH2 4.09Å; F147-W194 AromaticContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CE1-CZ3 3.31Å; F147-W194 HydrophobicContact CZ-CE3 4.35Å; F147-W194 HydrophobicContact CZ-CH2 4.14Å; F147-W194 AromaticContact CZ-CZ3 3.77Å; F147-W194 HydrophobicContact CZ-CZ3 3.77Å; I190-W194 WeakPolarHBondContact O-CB 3.48Å; I190-W194 PolarHBondContact O-N 3.41Å; Y191-W194 PolarHBondContact O-N 3.36Å; W194-L196 VanDerWaalsContact C-N 3.33Å; W194-L196 PolarHBondContact O-N 3.49Å; W194-V197 PolarHBondContact O-N 3.26Å; W194-S198 WeakPolarHBondContact O-CB 3.08Å; W194-S198 PolarHBondContact O-N 2.89Å
195T90.3Very high90.1Very high28 Ų2880 Ų8017%0.17240%0.397CS..Hα-helixtrans-62-42.2177.972.50000111.3F147 Y191 V192 F199F147-T195 HydrophobicContact CD1-CG2 4.05Å; F147-T195 HydrophobicContact CE1-CG2 3.37Å; F147-T195 HydrophobicContact CZ-CG2 4.34Å; Y191-T195 HydrophobicContact CD1-CG2 3.97Å; Y191-T195 HydrophobicContact CD2-CG2 4.02Å; Y191-T195 HydrophobicContact CE1-CG2 3.56Å; Y191-T195 HydrophobicContact CE2-CG2 3.64Å; Y191-T195 HydrophobicContact CG-CG2 4.17Å; Y191-T195 WeakPolarHBondContact O-CG2 3.45Å; Y191-T195 PolarHBondContact O-N 2.97Å; V192-T195 PolarHBondContact O-N 2.7Å; V192-T195 PolarHBondContact O-OG1 3.33Å; T195-F199 WeakPolarHBondContact O-CB 3.21Å; T195-F199 PolarHBondContact O-N 3.45Å
196L91Very high89.8Confident89 Ų8976.7 Ų76.747%0.46638%0.378SS..Hα-helixtrans-64.5-45.7178.3-73.8171.9000111.7V192 L193 W194 F199 R200V192-L196 HydrophobicContact CG1-CD1 3.87Å; V192-L196 HydrophobicContact CG1-CG 4.3Å; V192-L196 WeakPolarHBondContact O-CB 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 3.5Å; L193-L196 PolarHBondContact O-N 2.85Å; W194-L196 VanDerWaalsContact C-N 3.33Å; W194-L196 PolarHBondContact O-N 3.49Å; L196-F199 PolarHBondContact O-N 3.31Å; L196-R200 WeakPolarHBondContact O-CB 3.24Å; L196-R200 WeakPolarHBondContact O-CG 3.37Å; L196-R200 PolarHBondContact O-N 2.94Å
197V92.9Very high89.5Confident104 Ų10477.2 Ų77.263%0.6338%0.379SS*.Hα-helixtrans-64.1-47.6178.1171.70000110.8L193 W194 F199 R200 Y201L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 3.44Å; W194-V197 PolarHBondContact O-N 3.26Å; V197-F199 PolarHBondContact O-N 3.31Å; V197-R200 PolarHBondContact O-N 3.08Å; V197-Y201 WeakPolarHBondContact O-CB 3.09Å; V197-Y201 PolarHBondContact O-N 3.31Å
198S90.8Very high89.4Confident8 Ų878.8 Ų78.86%0.05638%0.384CS..Hα-helixtrans-59.8-46.6176.7173.50000111.1D143 W194 R200 Y201 H202D143-S198 PolarHBondContact OD2-OG 2.95Å; W194-S198 WeakPolarHBondContact O-CB 3.08Å; W194-S198 PolarHBondContact O-N 2.89Å; S198-R200 PolarHBondContact O-N 2.88Å; S198-Y201 WeakPolarHBondContact O-CB 3.37Å; S198-Y201 PolarHBondContact O-N 3Å; S198-H202 PolarHBondContact O-CD2 3.28Å; S198-H202 PolarHBondContact O-N 3.44Å; S198-H202 PolarHBondContact OG-CD2 3.02Å; S198-H202 PolarHBondContact OG-NE2 3.46Å
199F88.6Confident89.1Confident132 Ų13274.3 Ų74.358%0.57936%0.364SS*.Hα-helixtrans-61.5-44.5176.8-178.2-104000112.6T195 L196 V197 Y201 H202 C203T195-F199 WeakPolarHBondContact O-CB 3.21Å; T195-F199 PolarHBondContact O-N 3.45Å; L196-F199 PolarHBondContact O-N 3.31Å; V197-F199 PolarHBondContact O-N 3.31Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 PolarHBondContact O-N 3.49Å; F199-H202 PolarHBondContact O-N 3.44Å; F199-C203 WeakPolarHBondContact CE1-SG 3.27Å; F199-C203 WeakPolarHBondContact CZ-SG 3.11Å; F199-C203 WeakPolarHBondContact O-CB 3.18Å; F199-C203 PolarHBondContact O-N 3.5Å; F199-C203 PolarHBondContact O-SG 3.33Å
200R91.1Very high88.8Confident168 Ų16875.7 Ų75.763%0.63436%0.361SS*.Hα-helixtrans-60.4-43.2176.4-74.1-69.1-169.497.72111.6L196 V197 S198 C203 Q204L196-R200 WeakPolarHBondContact O-CB 3.24Å; L196-R200 WeakPolarHBondContact O-CG 3.37Å; L196-R200 PolarHBondContact O-N 2.94Å; V197-R200 PolarHBondContact O-N 3.08Å; S198-R200 PolarHBondContact O-N 2.88Å; R200-C203 PolarHBondContact O-N 3.49Å; R200-Q204 VanDerWaalsContact O-CG 3.31Å; R200-Q204 WeakPolarHBondContact O-CG 3.4Å; R200-Q204 PolarHBondContact O-N 2.87Å
201Y89.3Confident88.1Confident104 Ų10480 Ų8041%0.40837%0.371SS..Hα-helixtrans-59.8-48.1175171.9-96.3000111.4V197 S198 F199 C203 Q204 L205V197-Y201 WeakPolarHBondContact O-CB 3.09Å; V197-Y201 PolarHBondContact O-N 3.31Å; S198-Y201 WeakPolarHBondContact O-CB 3.37Å; S198-Y201 PolarHBondContact O-N 3Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 PolarHBondContact O-N 3.49Å; Y201-C203 PolarHBondContact O-N 3.5Å; Y201-Q204 WeakPolarHBondContact O-CB 3.47Å; Y201-Q204 PolarHBondContact O-N 3.42Å; Y201-L205 HydrophobicContact CE1-CD2 4.47Å; Y201-L205 PolarHBondContact O-N 2.82Å
202H87.3Confident87.6Confident16 Ų1682.2 Ų82.27%0.07439%0.388CS..Hα-helixtrans-66.1-37.8179.1-66.3-43.7000112.9L140 D143 S198 F199 Q204 L205 Y206L140-H202 HydrophobicContact CD2-CB 4.38Å; L140-H202 WeakPolarHBondContact CD2-CE1 3.28Å; L140-H202 WeakPolarHBondContact CD2-ND1 3.38Å; D143-H202 IonicContact OD2-CD2 3.93Å; D143-H202 IonicContact OD2-CE1 2.76Å; D143-H202 PolarHBondContact OD2-CE1 3.42Å; D143-H202 IonicContact OD2-NE2 2.8Å; D143-H202 PolarHBondContact OD2-NE2 2.82Å; S198-H202 PolarHBondContact O-CD2 3.28Å; S198-H202 PolarHBondContact O-N 3.44Å; S198-H202 PolarHBondContact OG-CD2 3.02Å; S198-H202 PolarHBondContact OG-NE2 3.46Å; F199-H202 PolarHBondContact O-N 3.44Å; H202-Q204 VanDerWaalsContact C-N 3.33Å; H202-L205 PolarHBondContact O-N 3.16Å; H202-Y206 VanDerWaalsContact O-CB 3.25Å; H202-Y206 WeakPolarHBondContact O-CB 3.34Å; H202-Y206 PolarHBondContact O-N 3.41Å
203C86.7Confident87.1Confident52 Ų5282.6 Ų82.635%0.35139%0.389SS..Hα-helixtrans-62.4-41.3172.9-73.60000112F199 R200 Y201 S207F199-C203 WeakPolarHBondContact CE1-SG 3.27Å; F199-C203 WeakPolarHBondContact CZ-SG 3.11Å; F199-C203 WeakPolarHBondContact O-CB 3.18Å; F199-C203 PolarHBondContact O-N 3.5Å; F199-C203 PolarHBondContact O-SG 3.33Å; R200-C203 PolarHBondContact O-N 3.49Å; Y201-C203 PolarHBondContact O-N 3.5Å; C203-S207 VanDerWaalsContact O-CB 3.31Å; C203-S207 WeakPolarHBondContact O-CB 3.5Å; C203-S207 PolarHBondContact O-N 2.9Å; C203-S207 PolarHBondContact O-OG 3Å
204Q88.4Confident86.5Confident121 Ų12179.9 Ų79.957%0.56537%0.373SS*.Hα-helixtrans-62.7-52.2175.8-75.7174.7-2.500110.5R200 Y201 H202 Y206 S207 E208R200-Q204 VanDerWaalsContact O-CG 3.31Å; R200-Q204 WeakPolarHBondContact O-CG 3.4Å; R200-Q204 PolarHBondContact O-N 2.87Å; Y201-Q204 WeakPolarHBondContact O-CB 3.47Å; Y201-Q204 PolarHBondContact O-N 3.42Å; H202-Q204 VanDerWaalsContact C-N 3.33Å; Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 PolarHBondContact O-N 2.78Å; Q204-S207 PolarHBondContact O-N 3.4Å; Q204-S207 PolarHBondContact O-OG 3.49Å; Q204-E208 PolarHBondContact O-N 3Å
205L87.3Confident86.1Confident24 Ų2480.1 Ų80.113%0.12638%0.376CS..Hα-helixtrans-56-44.6178-174.664.5000111.9W127 E136 L140 Y201 H202 S207 E208 W209W127-L205 HydrophobicContact CZ2-CD2 4.48Å; E136-L205 HydrophobicContact CB-CD2 4.32Å; E136-L205 HydrophobicContact CG-CD2 4.3Å; L140-L205 HydrophobicContact CD1-CD2 4.3Å; Y201-L205 HydrophobicContact CE1-CD2 4.47Å; Y201-L205 PolarHBondContact O-N 2.82Å; H202-L205 PolarHBondContact O-N 3.16Å; L205-S207 PolarHBondContact O-N 3.37Å; L205-E208 PolarHBondContact O-N 3.43Å; L205-W209 WeakPolarHBondContact O-CB 3.21Å; L205-W209 PolarHBondContact O-N 2.89Å
206Y84.1Confident85.9Confident30 Ų3078.8 Ų78.812%0.11837%0.369CS..Hα-helixtrans-63.3-41.3175.7177.6-111000112.5L124 W127 H202 Q204 W209 R210L124-Y206 HydrophobicContact CD2-CD1 4.04Å; L124-Y206 HydrophobicContact CD2-CD2 3.72Å; L124-Y206 HydrophobicContact CD2-CE1 3.59Å; L124-Y206 HydrophobicContact CD2-CE2 3.27Å; L124-Y206 HydrophobicContact CD2-CG 4.09Å; L124-Y206 WeakPolarHBondContact CD2-OH 3.33Å; L124-Y206 HydrophobicContact CG-CE1 4.24Å; L124-Y206 HydrophobicContact CG-CE2 4.09Å; L124-Y206 WeakPolarHBondContact CG-OH 3.34Å; W127-Y206 HydrophobicContact CB-CD2 4.22Å; W127-Y206 HydrophobicContact CB-CE2 3.97Å; W127-Y206 AromaticContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CD2 3.7Å; W127-Y206 HydrophobicContact CD2-CE2 4.31Å; W127-Y206 HydrophobicContact CE3-CD2 4.13Å; W127-Y206 AromaticContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CD2 3.73Å; W127-Y206 HydrophobicContact CG-CE2 4Å; H202-Y206 VanDerWaalsContact O-CB 3.25Å; H202-Y206 WeakPolarHBondContact O-CB 3.34Å; H202-Y206 PolarHBondContact O-N 3.41Å; Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 PolarHBondContact O-N 2.78Å; Y206-W209 HydrophobicContact CD2-CE3 4.48Å; Y206-W209 HydrophobicContact CE2-CE3 4.1Å; Y206-W209 HydrophobicContact CE2-CZ3 4.29Å; Y206-W209 PolarHBondContact O-N 2.92Å; Y206-R210 VanDerWaalsContact O-CB 3.3Å; Y206-R210 WeakPolarHBondContact O-CB 3.42Å; Y206-R210 PolarHBondContact O-N 3.31Å; Y206-R210 VanDerWaalsContact OH-CZ 3.25Å; Y206-R210 PolarHBondContact OH-NE 3.45Å; Y206-R210 VanDerWaalsContact OH-NE 3.07Å; Y206-R210 PolarHBondContact OH-NH2 3.42Å
207S85.6Confident85.6Confident54 Ų5481.5 Ų81.538%0.37837%0.372SS..Hα-helixtrans-65.9-38.7179.276.50000112.2C203 Q204 L205 R210 R211C203-S207 VanDerWaalsContact O-CB 3.31Å; C203-S207 WeakPolarHBondContact O-CB 3.5Å; C203-S207 PolarHBondContact O-N 2.9Å; C203-S207 PolarHBondContact O-OG 3Å; Q204-S207 PolarHBondContact O-N 3.4Å; Q204-S207 PolarHBondContact O-OG 3.49Å; L205-S207 PolarHBondContact O-N 3.37Å; S207-R210 PolarHBondContact O-N 3.32Å; S207-R211 WeakPolarHBondContact O-CG 3.32Å; S207-R211 PolarHBondContact O-N 3Å
208E86.4Confident85.3Confident133 Ų13377.2 Ų77.262%0.62135%0.346SS*.Hα-helixtrans-67.8-45175.6-68.8-154.4159.800111.3Q204 L205 R210 R211 T212Q204-E208 PolarHBondContact O-N 3Å; L205-E208 PolarHBondContact O-N 3.43Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3Å; E208-R211 PolarHBondContact O-N 3.08Å; E208-T212 WeakPolarHBondContact O-CG2 3.33Å; E208-T212 PolarHBondContact O-N 2.96Å; E208-T212 PolarHBondContact O-OG1 3.47Å
209W83.8Confident85Confident30 Ų3081.1 Ų81.111%0.11437%0.366CS..Hα-helixtrans-58.5-44.4173.6-179.294.2000111.5K122 E126 W127 L205 Y206 R211 T212 N213K122-W209 HydrophobicContact CB-CH2 3.63Å; K122-W209 HydrophobicContact CB-CZ3 3.9Å; K122-W209 HydrophobicContact CD-CH2 3.86Å; K122-W209 HydrophobicContact CD-CZ2 4.28Å; K122-W209 HydrophobicContact CG-CH2 4.4Å; E126-W209 HydrophobicContact CB-CH2 4.32Å; W127-W209 HydrophobicContact CB-CD2 4.18Å; W127-W209 HydrophobicContact CB-CE3 3.9Å; W127-W209 HydrophobicContact CB-CH2 3.8Å; W127-W209 HydrophobicContact CB-CZ2 4.06Å; W127-W209 HydrophobicContact CB-CZ3 3.72Å; W127-W209 AromaticContact CD1-CD1 3.7Å; W127-W209 AromaticContact CD1-CD2 3.33Å; W127-W209 AromaticContact CD1-CE2 3.68Å; W127-W209 AromaticContact CD1-CE3 3.74Å; W127-W209 AromaticContact CD1-CG 3.37Å; W127-W209 AromaticContact CD1-NE1 3.86Å; W127-W209 HydrophobicContact CG-CD2 4.08Å; W127-W209 HydrophobicContact CG-CE3 4.08Å; W127-W209 HydrophobicContact CG-CG 4.47Å; W127-W209 HydrophobicContact CG-CZ3 4.4Å; W127-W209 AromaticContact NE1-CG 3.88Å; L205-W209 WeakPolarHBondContact O-CB 3.21Å; L205-W209 PolarHBondContact O-N 2.89Å; Y206-W209 HydrophobicContact CD2-CE3 4.48Å; Y206-W209 HydrophobicContact CE2-CE3 4.1Å; Y206-W209 HydrophobicContact CE2-CZ3 4.29Å; Y206-W209 PolarHBondContact O-N 2.92Å; W209-R211 VanDerWaalsContact C-N 3.3Å; W209-R211 PolarHBondContact O-N 3.09Å; W209-T212 WeakPolarHBondContact CA-OG1 3.17Å; W209-T212 PolarHBondContact O-N 2.95Å; W209-T212 PolarHBondContact O-OG1 3.28Å; W209-N213 HydrophobicContact CD2-CB 4.06Å; W209-N213 HydrophobicContact CE3-CB 4.48Å; W209-N213 HydrophobicContact CH2-CB 4.4Å; W209-N213 HydrophobicContact CZ2-CB 3.98Å; W209-N213 PolarHBondContact NE1-ND2 2.92Å; W209-N213 VanDerWaalsContact O-CB 3.31Å; W209-N213 WeakPolarHBondContact O-CB 3.2Å; W209-N213 PolarHBondContact O-N 3.36Å; W209-N213 PolarHBondContact O-ND2 3.49Å
210R83.5Confident84.5Confident96 Ų9679.2 Ų79.236%0.36236%0.361SS..Hα-helixtrans-63.6-35.1179.4-179.9-175.3-83.3-1257.2112.2P121 Y206 S207 E208 Q214P121-R210 HydrophobicContact CB-CG 4.15Å; Y206-R210 VanDerWaalsContact O-CB 3.3Å; Y206-R210 WeakPolarHBondContact O-CB 3.42Å; Y206-R210 PolarHBondContact O-N 3.31Å; Y206-R210 VanDerWaalsContact OH-CZ 3.25Å; Y206-R210 PolarHBondContact OH-NE 3.45Å; Y206-R210 VanDerWaalsContact OH-NE 3.07Å; Y206-R210 PolarHBondContact OH-NH2 3.42Å; S207-R210 PolarHBondContact O-N 3.32Å; E208-R210 VanDerWaalsContact C-N 3.31Å; E208-R210 PolarHBondContact O-N 3Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å
211R79.4Confident83.1Confident197 Ų19776.1 Ų76.174%0.74336%0.362SS*.Hα-helixtrans-70.4-35.8175.6-77.8-178.970.498.1-0.3112.3S207 E208 W209S207-R211 WeakPolarHBondContact O-CG 3.32Å; S207-R211 PolarHBondContact O-N 3Å; E208-R211 PolarHBondContact O-N 3.08Å; W209-R211 VanDerWaalsContact C-N 3.3Å; W209-R211 PolarHBondContact O-N 3.09Å
212T78.1Confident81.1Confident82 Ų8279.4 Ų79.450%0.50338%0.382SS..Hα-helixtrans-87.5-26.7-175.949.50000113.6E208 W209E208-T212 WeakPolarHBondContact O-CG2 3.33Å; E208-T212 PolarHBondContact O-N 2.96Å; E208-T212 PolarHBondContact O-OG1 3.47Å; W209-T212 WeakPolarHBondContact CA-OG1 3.17Å; W209-T212 PolarHBondContact O-N 2.95Å; W209-T212 PolarHBondContact O-OG1 3.28Å
213N78.9Confident79.2Confident58 Ų5883.2 Ų83.231%0.3142%0.415SS..SBendtrans-108.348.8-175.2-72.5-93.8000112.6K122 W209K122-N213 HydrophobicContact CD-CB 4.39Å; K122-N213 VanDerWaalsContact CD-O 3.27Å; K122-N213 WeakPolarHBondContact CD-O 3.37Å; K122-N213 WeakPolarHBondContact CG-O 3.39Å; W209-N213 HydrophobicContact CD2-CB 4.06Å; W209-N213 HydrophobicContact CE3-CB 4.48Å; W209-N213 HydrophobicContact CH2-CB 4.4Å; W209-N213 HydrophobicContact CZ2-CB 3.98Å; W209-N213 PolarHBondContact NE1-ND2 2.92Å; W209-N213 VanDerWaalsContact O-CB 3.31Å; W209-N213 WeakPolarHBondContact O-CB 3.2Å; W209-N213 PolarHBondContact O-N 3.36Å; W209-N213 PolarHBondContact O-ND2 3.49Å
214Q82.3Confident76.9Confident52 Ų5287.9 Ų87.924%0.24343%0.43CS..PPolyproline II helixtrans-78.6136.6175.1-61.7-176.3-52.300110.6R119 R210R119-Q214 HydrophobicContact CB-CB 4.36Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å
215K82.2Confident74.5Confident104 Ų10491.1 Ų91.145%0.45245%0.445SS..EExtended strand (participates in β ladder)trans-85.8120.7173-169.5169.8-176.6170.50108.8R120R120-K215 PolarHBondContact N-O 3.5Å; R120-K215 PolarHBondContact O-N 2.8Å
216V85.6Confident72.3Confident1 Ų193.7 Ų93.71%0.00647%0.465CS..EExtended strand (participates in β ladder)trans-86128.4177-179.90000108.7E97 L100 S101 I117 R119E97-V216 WeakPolarHBondContact CB-O 3.29Å; L100-V216 HydrophobicContact CB-CB 4.04Å; L100-V216 HydrophobicContact CB-CG1 3.8Å; L100-V216 HydrophobicContact CB-CG2 4.18Å; L100-V216 HydrophobicContact CD1-CG1 4.11Å; S101-V216 WeakPolarHBondContact OG-CB 3.24Å; S101-V216 PolarHBondContact OG-N 2.88Å; I117-V216 HydrophobicContact CB-CG1 3.69Å; I117-V216 HydrophobicContact CD1-CG1 3.77Å; I117-V216 HydrophobicContact CD1-CG2 4.45Å; I117-V216 HydrophobicContact CG1-CG1 4.35Å; I117-V216 HydrophobicContact CG2-CG1 3.58Å; R119-V216 HydrophobicContact CG-CG2 4.24Å
217R86.3Confident70Confident145 Ų14596.3 Ų96.355%0.54749%0.488SS..EExtended strand (participates in β ladder)trans-113.7136167.8-75.9-162.2175.3-155.6-0.3110.1E97 I117 E118E97-R217 WeakPolarHBondContact OE1-CA 3.3Å; I117-R217 CarbonylContact C-O 3.56Å; I117-R217 VanDerWaalsContact CA-O 3.32Å; I117-R217 WeakPolarHBondContact CA-O 3.41Å; E118-R217 PolarHBondContact N-O 2.96Å; E118-R217 PolarHBondContact O-N 3.43Å
218L86.8Confident67.8Low14 Ų1498.7 Ų98.77%0.07350%0.504CS..EExtended strand (participates in β ladder)trans-80.4123.1176.4-74.6161.1000109.7K93 L96 E97 L100 F115 I117 I220K93-L218 HydrophobicContact CG-CD1 4.25Å; L96-L218 HydrophobicContact CB-CD1 3.9Å; L96-L218 HydrophobicContact CD2-CD1 3.6Å; L96-L218 HydrophobicContact CD2-CD2 4.09Å; L96-L218 HydrophobicContact CD2-CG 4.48Å; L96-L218 HydrophobicContact CG-CD1 3.8Å; E97-L218 HydrophobicContact CG-CB 4.22Å; E97-L218 HydrophobicContact CG-CD1 3.84Å; E97-L218 HydrophobicContact CG-CG 3.87Å; E97-L218 PolarHBondContact OE1-N 3.41Å; L100-L218 HydrophobicContact CD1-CD2 3.93Å; L100-L218 HydrophobicContact CD1-CG 4.46Å; F115-L218 HydrophobicContact CB-CD2 4.21Å; I117-L218 HydrophobicContact CG2-CD2 3.79Å; L218-I220 HydrophobicContact CB-CG1 4.34Å; L218-I220 PolarHBondContact O-N 3.5Å
219L84.3Confident65.5Low91 Ų9196.8 Ų96.848%0.47651%0.506SS..  trans-8884.6167.5-61.4177.2000106.8S116 E118 P221S116-L219 WeakPolarHBondContact CB-O 3.28Å; S116-L219 PolarHBondContact O-N 3.41Å; E118-L219 HydrophobicContact CB-CD1 4.18Å; E118-L219 HydrophobicContact CB-CD2 4.33Å; E118-L219 HydrophobicContact CB-CG 4.21Å; L219-P221 VanDerWaalsContact O-CD 3.31Å; L219-P221 WeakPolarHBondContact O-CD 3.2Å
220I77.6Confident63.5Low91 Ų91102.1 Ų102.147%0.46753%0.532SS..  trans-72.4118.1168.8-55.5168000104.7L79 K93 L218 E222L79-I220 HydrophobicContact CD2-CD1 3.62Å; K93-I220 HydrophobicContact CD-CD1 4.02Å; K93-I220 HydrophobicContact CG-CD1 4.36Å; L218-I220 HydrophobicContact CB-CG1 4.34Å; L218-I220 PolarHBondContact O-N 3.5Å; I220-E222 PolarHBondContact O-N 3.29Å
221P61.1Low61.5Low103 Ų103104.2 Ų104.267%0.66955%0.545SS*.  trans-53.4122.9169.6-19.631.3000106.1L219 A223L219-P221 VanDerWaalsContact O-CD 3.31Å; L219-P221 WeakPolarHBondContact O-CD 3.2Å; P221-A223 PolarHBondContact O-N 2.88Å
222E47.4Very low59.8Low174 Ų17497.6 Ų97.681%0.81353%0.53SS*.  trans-61.285.1172.4-75.6-171.8117.900107.6I220 K224I220-E222 PolarHBondContact O-N 3.29Å; E222-K224 PolarHBondContact O-N 2.95Å
223A46.8Very low58.5Low95 Ų9599.5 Ų99.579%0.78554%0.536SS*.  trans-7174.7159.800000106P221P221-A223 PolarHBondContact O-N 2.88Å
224K38.8Very low57.2Low150 Ų150102.2 Ų102.265%0.65255%0.55SS*.  trans56.476.4152.3-154.2176.5-173.6179.10114.1E222 S226E222-K224 PolarHBondContact O-N 2.95Å; K224-S226 WeakPolarHBondContact CG-OG 3.33Å; K224-S226 PolarHBondContact O-N 3.37Å
225E38.7Very low55.7Low190 Ų190102.5 Ų102.589%0.88856%0.557SS**SBendtrans-6944.8152.7-73.4-163161.600111.5
226S40.2Very low54.3Low77 Ų77102.6 Ų102.654%0.53856%0.563SS.*  trans-138.560.2178.880.90000111.1K224K224-S226 WeakPolarHBondContact CG-OG 3.33Å; K224-S226 PolarHBondContact O-N 3.37Å
227S37.4Very low52.7Low86 Ų86110.5 Ų110.560%0.60160%0.597SS**SBendtrans-162.35.7160.761.10000117.5
228S37.8Very low51.1Low103 Ų103110.2 Ų110.272%0.7261%0.606SS**SBendtrans-94-36.7175-165.60000113.3
229S38.5Very low49.3Very low94 Ų94117.2 Ų117.266%0.65764%0.636SS**Hα-helixtrans-84.2-15.4-175.8-47.10000114.9S232 L233S229-S232 PolarHBondContact O-OG 2.85Å; S229-L233 WeakPolarHBondContact O-CD1 3.42Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å
230Q42.3Very low47.6Very low141 Ų141119.8 Ų119.866%0.65964%0.643SS**Hα-helixtrans-93.7-28.6177.5-73.3-169.2-12.100113.5S232 L233 L234Q230-S232 VanDerWaalsContact C-N 3.35Å; Q230-L233 PolarHBondContact O-N 3.17Å; Q230-L234 WeakPolarHBondContact O-CB 3.45Å; Q230-L234 PolarHBondContact O-N 3.36Å
231H41.3Very low46.2Very low140 Ų140119.4 Ų119.465%0.64865%0.649SS**Hα-helixtrans-71.9-31.1179.3-148.8-101.5000111.8S235H231-S235 WeakPolarHBondContact O-CB 3.19Å; H231-S235 PolarHBondContact O-N 3.32Å; H231-S235 PolarHBondContact O-OG 2.97Å
232S43.8Very low45.8Very low59 Ų59117.5 Ų117.541%0.41364%0.641SS.*Hα-helixtrans-70.7-36.9172.756.70000112.6S229 Q230 N236S229-S232 PolarHBondContact O-OG 2.85Å; Q230-S232 VanDerWaalsContact C-N 3.35Å; S232-N236 VanDerWaalsContact O-CB 3.31Å; S232-N236 WeakPolarHBondContact O-CB 3.31Å; S232-N236 PolarHBondContact O-N 3.47Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.34Å; S232-N236 VanDerWaalsContact O-ND2 3.17Å
233L51.1Low46Very low122 Ų122113.5 Ų113.564%0.63963%0.633SS**Hα-helixtrans-73.9-39.1177.7-68.9176.1000112.8S229 Q230 K237S229-L233 WeakPolarHBondContact O-CD1 3.42Å; S229-L233 WeakPolarHBondContact O-CG 3.41Å; Q230-L233 PolarHBondContact O-N 3.17Å; L233-K237 WeakPolarHBondContact O-CB 3.45Å; L233-K237 PolarHBondContact O-N 3.09Å
234L51.3Low46.3Very low115 Ų115116.5 Ų116.560%0.60263%0.63SS**Hα-helixtrans-68.8-40.7174.9-93.2151.4000112.1Q230 N236 K237 L238Q230-L234 WeakPolarHBondContact O-CB 3.45Å; Q230-L234 PolarHBondContact O-N 3.36Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.07Å; L234-K237 PolarHBondContact O-N 3.28Å; L234-L238 PolarHBondContact O-N 3.14Å
235S51.4Low46.7Very low57 Ų57113.7 Ų113.740%0.39963%0.63SS.*Hα-helixtrans-64-39.4176.4-57.70000111.9H231 K239H231-S235 WeakPolarHBondContact O-CB 3.19Å; H231-S235 PolarHBondContact O-N 3.32Å; H231-S235 PolarHBondContact O-OG 2.97Å; S235-K239 WeakPolarHBondContact O-CB 3.39Å; S235-K239 PolarHBondContact O-N 3.32Å; S235-K239 VanDerWaalsContact O-N 3.15Å
236N51.8Low47.2Very low106 Ų106111.5 Ų111.557%0.56762%0.622SS**Hα-helixtrans-72.9-32.3176.7-74.5-22.5000112.8S232 L234 K240S232-N236 VanDerWaalsContact O-CB 3.31Å; S232-N236 WeakPolarHBondContact O-CB 3.31Å; S232-N236 PolarHBondContact O-N 3.47Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.34Å; S232-N236 VanDerWaalsContact O-ND2 3.17Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.07Å; N236-K240 WeakPolarHBondContact O-CB 3.43Å; N236-K240 PolarHBondContact O-N 3.4Å; N236-K240 VanDerWaalsContact O-N 3.08Å
237K51.6Low47.2Very low167 Ų167117.9 Ų117.973%0.72666%0.658SS**Hα-helixtrans-70-39.7175.2-124.3-172.3178.9-169.40112.4L233 L234 K240 S241L233-K237 WeakPolarHBondContact O-CB 3.45Å; L233-K237 PolarHBondContact O-N 3.09Å; L234-K237 PolarHBondContact O-N 3.28Å; K237-K240 PolarHBondContact O-N 3.23Å; K237-S241 PolarHBondContact O-N 3.02Å
238L53.1Low47.7Very low139 Ų139119.5 Ų119.573%0.72866%0.66SS**Hα-helixtrans-68.6-39.3177.9-142.483.7000111.5L234 S241 A242L234-L238 PolarHBondContact O-N 3.14Å; L238-S241 PolarHBondContact O-N 2.92Å; L238-A242 PolarHBondContact O-N 3.18Å
239K49.5Very low48.2Very low162 Ų162120.3 Ų120.370%0.70466%0.657SS**Hα-helixtrans-68.3-35.9177.6-146.3171.5-172.1-179.40112.3S235 S243S235-K239 WeakPolarHBondContact O-CB 3.39Å; S235-K239 PolarHBondContact O-N 3.32Å; S235-K239 VanDerWaalsContact O-N 3.15Å; K239-S243 PolarHBondContact O-OG 3.32Å; K239-S243 VanDerWaalsContact O-OG 3.07Å
240K49.2Very low48.8Very low145 Ų145121.8 Ų121.863%0.6366%0.657SS**Hα-helixtrans-72.2-29.3177-163.5170.8-176.1176.60113.3N236 K237N236-K240 WeakPolarHBondContact O-CB 3.43Å; N236-K240 PolarHBondContact O-N 3.4Å; N236-K240 VanDerWaalsContact O-N 3.08Å; K237-K240 PolarHBondContact O-N 3.23Å
241S48.1Very low49.2Very low83 Ų83120.6 Ų120.658%0.5866%0.657SS**Hα-helixtrans-76-29.7177.3-164.40000113.3K237 L238 S245K237-S241 PolarHBondContact O-N 3.02Å; L238-S241 PolarHBondContact O-N 2.92Å; S241-S245 PolarHBondContact O-OG 3.29Å
242A51Low49.7Very low63 Ų63119.4 Ų119.452%0.52166%0.658SS.*Hα-helixtrans-75.9-21.7177.300000113.2L238L238-A242 PolarHBondContact O-N 3.18Å
243S53.5Low50Low90 Ų90123.5 Ų123.563%0.62967%0.674SS**SBendtrans-90.9-7.9-179.5-44.50000114.6K239K239-S243 PolarHBondContact O-OG 3.32Å; K239-S243 VanDerWaalsContact O-OG 3.07Å
244Q52.5Low50Low157 Ų157123.6 Ų123.673%0.73468%0.677SS**SBendtrans-104.42.6-179.6-75.8-173.8-28.100113.8
245S46.8Very low49.9Very low91 Ų91124.2 Ų124.264%0.63668%0.682SS**SBendtrans-1109.6-179.539.40000113.8S241S241-S245 PolarHBondContact O-OG 3.29Å
246I49.9Very low49.7Very low144 Ų144129.8 Ų129.874%0.73871%0.706SS**  trans-130.767.8174.4-48.5176.2000108.9
247V39.8Very low49.6Very low211 Ų211132 Ų132100%1.27972%0.719SS**  trans-151.50151.7-1770000107.2

Retrieved 247 of 247 residues in 370.4 ms (Link to these results)