A0A087YG84_POEFO Loading...

Forkhead box protein M1

Transcription factor regulating the expression of cell cycle genes essential for DNA replication and mitosis. Plays a role in the control of cell proliferation. Also plays a role in DNA break repair, participating in the DNA damage checkpoint response. Promotes transcription of PHB2.

AlphaFold DB , UniProt , Accession A0A087YG84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 657 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
1M38.8Very low48.6Very low242 Ų242188 Ų188100%1.19289%0.89SS**  0131.10-69.2133.764.100109.2
2R40.6Very low48.5Very low255 Ų255188.8 Ų188.896%0.96289%0.887SS**PPolyproline II helixtrans-89.4128.3167.4-68.9-173.9176.5-160.4-1.4108.7
3R49.8Very low48.3Very low251 Ų251193.5 Ų193.595%0.94789%0.891SS**PPolyproline II helixtrans-78.4141.1173.9-77-177.6172.3174.5-1.5109.8
4S44.2Very low47.8Very low107 Ų107196.2 Ų196.275%0.74889%0.89SS**PPolyproline II helixtrans-82.2144.9174.446.30000111.7
5P59.2Low47.7Very low126 Ų126197.1 Ų197.182%0.81889%0.892SS**PPolyproline II helixtrans-71.4137170.529.5-32.8000110.4
6R55.2Low47Very low244 Ų244194.4 Ų194.492%0.92189%0.887SS**PPolyproline II helixtrans-79.1142.8175.8-69-179.4172.7-177.8-3.4110.2
7R52.5Low46.6Very low235 Ų235190.1 Ų190.189%0.88788%0.881SS**PPolyproline II helixtrans-71.1146.3170.2-71.8-179.4174.6174.2-2.5110.6
8P50.8Low45.8Very low117 Ų117189.8 Ų189.876%0.7688%0.877SS**PPolyproline II helixtrans-69.314917030.3-34.6000111.4
9L48.4Very low45.1Very low168 Ų168188.6 Ų188.688%0.8888%0.876SS**PPolyproline II helixtrans-88.9118.1176.1-74.9166000110.3L11L9-L11 PolarHBondContact O-N 2.8Å
10I50.8Low44.6Very low159 Ų159187.4 Ų187.482%0.81587%0.871SS**  trans-87102.8174.3-60.5172000108.8K12I10-K12 PolarHBondContact O-N 2.8Å
11L44.3Very low43.9Very low164 Ų164185.6 Ų185.686%0.85987%0.868SS**  trans-75.4108.7173.1-74.8169.3000110.4L9 R13L9-L11 PolarHBondContact O-N 2.8Å; L11-R13 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact O-N 3.1Å
12K47.9Very low43.5Very low197 Ų197181 Ų18186%0.85784%0.843SS**  trans-64.5107.1169.4-82-171.4172.1-175.50110.2I10 R14I10-K12 PolarHBondContact O-N 2.8Å; K12-R14 PolarHBondContact O-N 3.42Å
13R45.4Very low43.3Very low250 Ų250174.5 Ų174.594%0.94383%0.834SS**PPolyproline II helixtrans-60.3123160.4-87.5-176.9164.4177.7-5.4109L11L11-R13 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact O-N 3.1Å
14R41.9Very low42.2Very low232 Ų232168 Ų16888%0.87582%0.823SS**PPolyproline II helixtrans-78.7139.8167.4-69.3176.1171.7164.5-4.4108.5K12K12-R14 PolarHBondContact O-N 3.42Å
15K46.3Very low41.7Very low209 Ų209171.9 Ų171.991%0.90983%0.829SS**PPolyproline II helixtrans-76.5140.9161.8-72.4-172.3174.9-173.70108.6
16L35.5Very low40.2Very low155 Ų155170.5 Ų170.581%0.81283%0.828SS**  trans-109.1158.9156.8-100.782.3000108.9
17P40Very low39Very low121 Ų121165.6 Ų165.679%0.78682%0.82SS**  trans-83.9170-173.934.7-36.4000114.2
18F32.8Very low37.9Very low185 Ų185164.6 Ų164.681%0.81182%0.822SS**  trans-31.3147.8171.1-98.7-116000117.7
19L32.7Very low37Very low166 Ų166167 Ų16787%0.86982%0.824SS**  trans-131.9146.8138.4-108.5169.7000108.6
20Q34.7Very low36Very low164 Ų164165.1 Ų165.177%0.76682%0.819SS**  trans-127.2120.6-169.3172.6-175.80.100108.4
21N29.4Very low35.2Very low150 Ų150164.8 Ų164.880%0.80281%0.814SS**  trans-124.7112.4-179.3-72.3-9.9000111.1
22E32.1Very low34.4Very low146 Ų146165.4 Ų165.468%0.68281%0.812SS**  trans-70.6152.3158-112.4-78133.300110.3T24E22-T24 PolarHBondContact OE2-OG1 3.49Å
23P34.8Very low33.4Very low119 Ų119159.8 Ų159.877%0.77381%0.81SS**  trans-131.9117.9153.234.4-19.6000112.5
24T28.4Very low32.5Very low115 Ų115152.8 Ų152.871%0.70681%0.805SS**  trans-109.3147.9-178.7-23.60000112.4E22E22-T24 PolarHBondContact OE2-OG1 3.49Å
25Q31.9Very low31.8Very low187 Ų187147 Ų14787%0.87481%0.807SS**  trans68.8122.7166-59.3-158.7-45.700121.9
26A28.5Very low30.9Very low97 Ų97140.6 Ų140.680%0.80280%0.801SS**  -178.797.1121.500000108
27D30.5Very low30.6Very low142 Ų142139.1 Ų139.176%0.75980%0.803SS**  81.1110.267.4-165.621.6000114.8
28K30Very low30.2Very low213 Ų213137.2 Ų137.293%0.92681%0.806SS**  trans-155.6144.8160.3-79-154.4176-175.80109.7
29Q30.6Very low30Very low169 Ų169137.1 Ų137.179%0.7981%0.808SS**  trans-142.9138.3-159.8-177.9-172.749.400112.1
30T28.1Very low30.1Very low128 Ų128134.8 Ų134.879%0.78580%0.803SS**  trans177.2106.9163-73.90000106.1
31Q33.7Very low29.8Very low152 Ų152135 Ų13571%0.7181%0.807SS**  54.3140.686.3-68.4-170.6400114.5
32H27.8Very low29.8Very low177 Ų177136.8 Ų136.882%0.81981%0.808SS**  cis-160.2159.4-3.3-114.8-61.5000107.3
33G25.9Very low29.9Very low79 Ų79135.4 Ų135.481%0.81481%0.812SS**  trans150.3120.1163.100000116.9
34A27.5Very low29.5Very low102 Ų102134.4 Ų134.484%0.84381%0.813SS**  trans-85.3166-165.900000117.9
35A27.8Very low29.7Very low110 Ų110133.6 Ų133.691%0.90982%0.818SS**  trans76.2127.8149.900000120.6
36G25.9Very low30.1Very low75 Ų75129.3 Ų129.377%0.77381%0.809SS**  trans173.9132.9170.300000112.4
37S29.4Very low30.8Very low124 Ų124132.2 Ų132.287%0.86781%0.806SS**  trans-40.4144.8176.547.80000116.5
38G31.4Very low31.4Very low81 Ų81130.7 Ų130.784%0.83581%0.805SS**  trans-88.3148.1176.600000115.1
39E29.6Very low32.5Very low183 Ų183121.6 Ų121.686%0.85577%0.766SS**  trans-134.1152.9155.5-95.3-159.6125.400108.5
40P33.5Very low33.4Very low118 Ų118119.5 Ų119.577%0.76677%0.768SS**  trans-71.5129.3173.929.9-33.1000110.7K42P40-K42 PolarHBondContact O-N 3.24Å; P40-K42 VanDerWaalsContact O-N 3.1Å
41I29.9Very low34.8Very low168 Ų168116.8 Ų116.886%0.86277%0.765SS**  trans-61.2115.7175.6-62.4174.8000108.9
42K29.9Very low36.2Very low188 Ų188110.4 Ų110.482%0.81774%0.736SS**PPolyproline II helixtrans-54128.5171-80175.7175168.40109.6P40P40-K42 PolarHBondContact O-N 3.24Å; P40-K42 VanDerWaalsContact O-N 3.1Å
43P32.2Very low38.1Very low117 Ų117105.2 Ų105.276%0.7672%0.717SS**PPolyproline II helixtrans-59143.2160.527.6-32.9000108.6A45P43-A45 PolarHBondContact O-N 3.28Å
44A28.2Very low40.4Very low98 Ų98104.4 Ų104.481%0.8169%0.694SS**PPolyproline II helixtrans-56.5141177.300000110.1S46A44-S46 PolarHBondContact O-N 3.03Å
45A31.4Very low42.7Very low97 Ų97105.4 Ų105.480%0.80268%0.683SS**  trans-62.3103.3-169.700000111.9P43 Q47P43-A45 PolarHBondContact O-N 3.28Å; A45-Q47 PolarHBondContact O-N 2.84Å
46S40.6Very low44.9Very low98 Ų98105.5 Ų105.569%0.68567%0.668SS**  trans-58.4118.4165.752.10000108.5A44 C48A44-S46 PolarHBondContact O-N 3.03Å; S46-C48 PolarHBondContact O-N 3.1Å
47Q42.1Very low47.1Very low157 Ų157104.5 Ų104.573%0.73464%0.643SS**  trans-73.177.6177.9-68.4-175.8-300109.9A45 L49 V80A45-Q47 PolarHBondContact O-N 2.84Å; Q47-L49 PolarHBondContact O-N 3.06Å; Q47-V80 WeakPolarHBondContact O-CG1 3.23Å
48C44.6Very low48.7Very low110 Ų110104.9 Ų104.974%0.74364%0.642SS**PPolyproline II helixtrans-69.8123.3171.9-167.30000108.9S46S46-C48 PolarHBondContact O-N 3.1Å
49L53.6Low50.2Low22 Ų22105.6 Ų105.612%0.11564%0.635CS.*PPolyproline II helixtrans-67.1121.4175.5-73.2158.7000109.2Q47 G51 I52 I77 V80Q47-L49 PolarHBondContact O-N 3.06Å; L49-G51 PolarHBondContact O-N 2.97Å; L49-I52 HydrophobicContact CB-CB 3.85Å; L49-I52 HydrophobicContact CB-CD1 4.07Å; L49-I52 HydrophobicContact CB-CG1 4.14Å; L49-I52 HydrophobicContact CD1-CD1 4.17Å; L49-I52 HydrophobicContact CD1-CG2 4.35Å; L49-I52 HydrophobicContact CD2-CD1 4.43Å; L49-I52 HydrophobicContact CG-CD1 4.45Å; L49-I52 PolarHBondContact O-N 2.89Å; L49-I77 HydrophobicContact CD1-CG1 4.21Å; L49-I77 HydrophobicContact CD1-CG2 4.32Å; L49-I77 HydrophobicContact CD2-CG1 4.28Å; L49-V80 HydrophobicContact CD1-CB 4.13Å; L49-V80 HydrophobicContact CD1-CG1 4Å; L49-V80 HydrophobicContact CD2-CB 4.44Å; L49-V80 HydrophobicContact CD2-CG2 4.04Å; L49-V80 HydrophobicContact CG-CB 4.26Å; L49-V80 HydrophobicContact CG-CG1 4.07Å; L49-V80 HydrophobicContact CG-CG2 4.24Å
50P47.7Very low51.9Low125 Ų125101.1 Ų101.181%0.81262%0.615SS**THydrogen-bonded Turntrans-65.8120.8-179.526.6-33.3000110.3
51G57.7Low53.3Low71 Ų71101.5 Ų101.573%0.73262%0.62SS**THydrogen-bonded Turntrans82.55.2174.600000116.7L49 P53L49-G51 PolarHBondContact O-N 2.97Å; G51-P53 WeakPolarHBondContact O-CD 3.26Å
52I64.4Low55.3Low19 Ų1996.5 Ų96.510%0.09760%0.595CS.*  trans-103107.5-179-64-170.3000110.3L49 V66 P69 A72 I77L49-I52 HydrophobicContact CB-CB 3.85Å; L49-I52 HydrophobicContact CB-CD1 4.07Å; L49-I52 HydrophobicContact CB-CG1 4.14Å; L49-I52 HydrophobicContact CD1-CD1 4.17Å; L49-I52 HydrophobicContact CD1-CG2 4.35Å; L49-I52 HydrophobicContact CD2-CD1 4.43Å; L49-I52 HydrophobicContact CG-CD1 4.45Å; L49-I52 PolarHBondContact O-N 2.89Å; I52-V66 HydrophobicContact CG2-CG1 3.58Å; I52-P69 HydrophobicContact CG1-CG 4.2Å; I52-A72 HydrophobicContact CD1-CB 4.2Å; I52-I77 HydrophobicContact CD1-CD1 3.58Å; I52-I77 HydrophobicContact CD1-CG1 3.76Å
53P67.9Low57.5Low67 Ų6787.7 Ų87.744%0.43556%0.558SS.*  trans-74.8133.2179.330.7-33.6000111.1G51 V67G51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-V67 HydrophobicContact CG-CB 4.05Å; P53-V67 HydrophobicContact CG-CG2 4.39Å; P53-V67 PolarHBondContact O-N 2.8Å
54I73Confident59.8Low62 Ų6283.3 Ų83.332%0.31853%0.527SS..EExtended strand (participates in β ladder)trans-117.4122.4173.9-54.1-179.8000108.4Q64 V65 V66 L81I54-Q64 HydrophobicContact CG2-CB 4Å; I54-Q64 HydrophobicContact CG2-CG 4.38Å; I54-V65 WeakPolarHBondContact CA-O 3.42Å; I54-V66 HydrophobicContact CG1-CG1 4.31Å; I54-V66 HydrophobicContact CG1-CG2 4.19Å; I54-V66 HydrophobicContact CG2-CG2 4.19Å; I54-L81 HydrophobicContact CD1-CD2 4.36Å
55M75.1Confident62.1Low123 Ų12379.8 Ų79.861%0.60650%0.495SS*.EExtended strand (participates in β ladder)trans-119.3146-176.1-62.7172.669.400110.4Q64 V65M55-Q64 CarbonylContact O-C 3.53Å; M55-Q64 VanDerWaalsContact O-CA 3.28Å; M55-Q64 WeakPolarHBondContact O-CA 3.45Å; M55-V65 PolarHBondContact N-O 2.94Å; M55-V65 PolarHBondContact O-N 2.77Å
56N75.1Confident64.5Low113 Ų11375.1 Ų75.160%0.60446%0.457SS*.EExtended strand (participates in β ladder)trans-80.7142.3171.8-62.7-51.1000110Q64N56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; N56-Q64 PolarHBondContact OD1-NE2 3.34Å
57H71.4Confident66.3Low54 Ų5473.1 Ų73.125%0.2544%0.44CS..EExtended strand (participates in β ladder)trans-73.5126.4178.7-167.2-97000111S59 M60 T63H57-S59 PolarHBondContact CE1-OG 2.91Å; H57-S59 PolarHBondContact ND1-OG 2.93Å; H57-S59 PolarHBondContact O-N 2.86Å; H57-M60 HydrophobicContact CB-CB 4.27Å; H57-M60 PolarHBondContact ND1-N 3.16Å; H57-M60 PolarHBondContact O-N 3.4Å; H57-M60 VanDerWaalsContact O-N 3.14Å; H57-T63 HydrophobicContact CB-CG2 4.27Å; H57-T63 WeakPolarHBondContact CB-O 3.39Å; H57-T63 PolarHBondContact N-O 3.4Å
58P63.3Low68.1Low131 Ų13166.1 Ų66.185%0.85141%0.408SS*.THydrogen-bonded Turntrans-65.1-20.3-167.724.6-34.8000114.6
59S62.4Low69.4Low96 Ų9663.1 Ų63.167%0.67139%0.387SS*.THydrogen-bonded Turntrans-114.40.6176.962.20000114.8H57H57-S59 PolarHBondContact CE1-OG 2.91Å; H57-S59 PolarHBondContact ND1-OG 2.93Å; H57-S59 PolarHBondContact O-N 2.86Å
60M65.7Low70.1Confident89 Ų8967.5 Ų67.544%0.43841%0.405SS..EExtended strand (participates in β ladder)trans-139.3101.8-179.9-67.2-160.9-6100111.5H57 D62 T63H57-M60 HydrophobicContact CB-CB 4.27Å; H57-M60 PolarHBondContact ND1-N 3.16Å; H57-M60 PolarHBondContact O-N 3.4Å; H57-M60 VanDerWaalsContact O-N 3.14Å; M60-D62 PolarHBondContact O-N 2.79Å; M60-T63 HydrophobicContact CE-CG2 4.19Å; M60-T63 PolarHBondContact O-N 2.94Å
61S62.5Low71.1Confident127 Ų12769.4 Ų69.489%0.88840%0.403SS*.EExtended strand (participates in β ladder)trans-65.7-19.1-176.847.60000115.3
62D72.8Confident71.9Confident62 Ų6267.5 Ų67.533%0.33238%0.381SS..EExtended strand (participates in β ladder)trans-95.820.4176.3-176.545.5000112.3M60 P93 N94 K95M60-D62 PolarHBondContact O-N 2.79Å; D62-P93 WeakPolarHBondContact OD1-CA 3.16Å; D62-N94 PolarHBondContact OD1-N 2.99Å; D62-K95 WeakPolarHBondContact O-CB 3.43Å
63T76.3Confident72.5Confident4 Ų471 Ų713%0.02540%0.399CS..EExtended strand (participates in β ladder)trans-139.6130.5-175.1-560000112.7H57 M60 K95 I97H57-T63 HydrophobicContact CB-CG2 4.27Å; H57-T63 WeakPolarHBondContact CB-O 3.39Å; H57-T63 PolarHBondContact N-O 3.4Å; M60-T63 HydrophobicContact CE-CG2 4.19Å; M60-T63 PolarHBondContact O-N 2.94Å; T63-K95 WeakPolarHBondContact CA-O 3.48Å; T63-K95 HydrophobicContact CG2-CB 4.05Å; T63-K95 WeakPolarHBondContact OG1-CD 3.22Å; T63-I97 HydrophobicContact CG2-CD1 3.72Å; T63-I97 HydrophobicContact CG2-CG1 3.92Å
64Q79.3Confident72.9Confident24 Ų2472.4 Ų72.411%0.11240%0.403CS..EExtended strand (participates in β ladder)trans-116.8140175.6-73.2-175.9-12.300111.4I54 M55 N56 P93 K95 F96 I97I54-Q64 HydrophobicContact CG2-CB 4Å; I54-Q64 HydrophobicContact CG2-CG 4.38Å; M55-Q64 CarbonylContact O-C 3.53Å; M55-Q64 VanDerWaalsContact O-CA 3.28Å; M55-Q64 WeakPolarHBondContact O-CA 3.45Å; N56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; N56-Q64 PolarHBondContact OD1-NE2 3.34Å; Q64-P93 HydrophobicContact CG-CB 4.13Å; Q64-P93 HydrophobicContact CG-CG 4.24Å; Q64-K95 PolarHBondContact N-O 3.38Å; Q64-F96 HydrophobicContact CB-CD1 3.93Å; Q64-F96 HydrophobicContact CB-CE1 4.08Å; Q64-F96 CarbonylContact O-C 3.58Å; Q64-F96 VanDerWaalsContact O-CA 3.29Å; Q64-F96 WeakPolarHBondContact O-CA 3.4Å; Q64-I97 PolarHBondContact O-N 2.7Å
65V77.8Confident73.2Confident24 Ų2476.1 Ų76.115%0.14542%0.419CS..EExtended strand (participates in β ladder)trans-98.7134.8174.3-173.10000108.3I54 M55 I97 L99I54-V65 WeakPolarHBondContact CA-O 3.42Å; M55-V65 PolarHBondContact N-O 2.94Å; M55-V65 PolarHBondContact O-N 2.77Å; V65-I97 CarbonylContact C-O 3.59Å; V65-I97 WeakPolarHBondContact CA-O 3.35Å; V65-I97 HydrophobicContact CG2-CB 4.36Å; V65-I97 HydrophobicContact CG2-CD1 4.49Å; V65-L99 HydrophobicContact CG1-CD1 3.62Å; V65-L99 HydrophobicContact CG1-CG 3.98Å
66V81.1Confident73.4Confident0 Ų073.1 Ų73.10%041%0.41CS..EExtended strand (participates in β ladder)trans-127.3119.7-179.1-173.90000107.9I52 I54 I68 L81 F96 I97 L98 L99I52-V66 HydrophobicContact CG2-CG1 3.58Å; I54-V66 HydrophobicContact CG1-CG1 4.31Å; I54-V66 HydrophobicContact CG1-CG2 4.19Å; I54-V66 HydrophobicContact CG2-CG2 4.19Å; V66-I68 HydrophobicContact CG1-CG1 4.47Å; V66-L81 HydrophobicContact CG2-CD1 4.1Å; V66-L81 HydrophobicContact CG2-CD2 4.03Å; V66-F96 HydrophobicContact CG2-CD1 4.33Å; V66-I97 PolarHBondContact N-O 2.8Å; V66-L98 HydrophobicContact CB-CD2 3.89Å; V66-L98 HydrophobicContact CG1-CD2 4.49Å; V66-L98 HydrophobicContact CG2-CD2 4.28Å; V66-L98 WeakPolarHBondContact O-CA 3.4Å; V66-L99 PolarHBondContact O-N 2.69Å
67V78.5Confident73.7Confident56 Ų5667.8 Ų67.834%0.33938%0.381SS..EExtended strand (participates in β ladder)trans-95.1122177.9-171.70000108.8P53P53-V67 HydrophobicContact CG-CB 4.05Å; P53-V67 HydrophobicContact CG-CG2 4.39Å; P53-V67 PolarHBondContact O-N 2.8Å
68I79.8Confident74Confident10 Ų1068.9 Ų68.95%0.05139%0.388CS..EExtended strand (participates in β ladder)trans-100.9118.6-173-61.9-175.7000110.2V66 A72 L74 I77 L98 L99V66-I68 HydrophobicContact CG1-CG1 4.47Å; I68-A72 HydrophobicContact CG2-CB 4.45Å; I68-L74 HydrophobicContact CD1-CD2 3.99Å; I68-L74 HydrophobicContact CG2-CD2 3.94Å; I68-I77 HydrophobicContact CB-CD1 4.43Å; I68-I77 HydrophobicContact CD1-CD1 4.07Å; I68-I77 HydrophobicContact CD1-CG2 4.14Å; I68-I77 HydrophobicContact CG1-CD1 4.08Å; I68-I77 HydrophobicContact CG2-CD1 3.66Å; I68-L98 HydrophobicContact CD1-CB 4.09Å; I68-L98 HydrophobicContact CD1-CD1 4.09Å; I68-L98 HydrophobicContact CD1-CD2 4.26Å; I68-L98 HydrophobicContact CD1-CG 4.37Å; I68-L99 PolarHBondContact N-O 3.36Å
69P72.5Confident74.7Confident47 Ų4764.6 Ų64.631%0.30537%0.368SS..PPolyproline II helixtrans-64.1150.3169.6-20.933.6000112.1I52 E71 A72I52-P69 HydrophobicContact CG1-CG 4.2Å; P69-E71 PolarHBondContact O-N 2.74Å; P69-A72 HydrophobicContact CB-CB 4.45Å; P69-A72 PolarHBondContact O-N 2.62Å
70K66.9Low75.5Confident114 Ų11461.1 Ų61.150%0.49634%0.343SS..THydrogen-bonded Turntrans-64-25.5-173.1-58.6175.6-175.897.10113.3E101K70-E101 WeakPolarHBondContact CE-O 3.21Å; K70-E101 IonicContact NZ-OE1 2.59Å; K70-E101 PolarHBondContact NZ-OE1 3.15Å; K70-E101 IonicContact NZ-OE2 2.7Å; K70-E101 PolarHBondContact NZ-OE2 2.94Å
71E68.6Low76.1Confident165 Ų16557.4 Ų57.477%0.77132%0.324SS*.THydrogen-bonded Turntrans-92.5-2.2-175.8-58.669.8-153.800113.3P69P69-E71 PolarHBondContact O-N 2.74Å
72A74.8Confident76.8Confident31 Ų3153.4 Ų53.426%0.25630%0.295SS..SBendtrans-91.7134.3-171.700000113.1I52 I68 P69 L74 I77I52-A72 HydrophobicContact CD1-CB 4.2Å; I68-A72 HydrophobicContact CG2-CB 4.45Å; P69-A72 HydrophobicContact CB-CB 4.45Å; P69-A72 PolarHBondContact O-N 2.62Å; A72-L74 PolarHBondContact O-N 3.44Å; A72-I77 HydrophobicContact CB-CD1 3.83Å
73D77.1Confident76.9Confident92 Ų9252.9 Ų52.949%0.49230%0.299SS..  trans-66.8117.2177.2169.837.8000112.1Q75 S76 I77D73-Q75 VanDerWaalsContact C-N 3.28Å; D73-Q75 PolarHBondContact O-N 3.31Å; D73-Q75 PolarHBondContact OD1-N 3.49Å; D73-S76 PolarHBondContact O-N 3.43Å; D73-S76 VanDerWaalsContact OD2-CB 3.23Å; D73-S76 WeakPolarHBondContact OD2-CB 3.44Å; D73-S76 PolarHBondContact OD2-N 3.32Å; D73-I77 WeakPolarHBondContact O-CG1 3.31Å; D73-I77 PolarHBondContact O-N 3.08Å; D73-I77 VanDerWaalsContact O-N 3.11Å
74L77.9Confident76.8Confident97 Ų9755 Ų5551%0.50831%0.308SS..Hα-helixtrans-61.7-32.4177.4-61.1177.9000112.7I68 A72 I77 I78I68-L74 HydrophobicContact CD1-CD2 3.99Å; I68-L74 HydrophobicContact CG2-CD2 3.94Å; A72-L74 PolarHBondContact O-N 3.44Å; L74-I77 PolarHBondContact O-N 3.05Å; L74-I78 WeakPolarHBondContact O-CB 3.37Å; L74-I78 WeakPolarHBondContact O-CD1 3.49Å; L74-I78 WeakPolarHBondContact O-CG1 3.25Å; L74-I78 PolarHBondContact O-N 3.07Å
75Q77.3Confident76.4Confident139 Ų13955.1 Ų55.165%0.6532%0.316SS*.Hα-helixtrans-70-43.7179.9-63.2-62-26.900111.3D73 I78 G79D73-Q75 VanDerWaalsContact C-N 3.28Å; D73-Q75 PolarHBondContact O-N 3.31Å; D73-Q75 PolarHBondContact OD1-N 3.49Å; Q75-I78 PolarHBondContact O-N 3.13Å; Q75-G79 PolarHBondContact O-N 3.25Å
76S80Confident75.9Confident60 Ų6061.9 Ų61.942%0.4234%0.343SS..Hα-helixtrans-56.6-47.9170.5-176.40000112D73 G79 V80D73-S76 PolarHBondContact O-N 3.43Å; D73-S76 VanDerWaalsContact OD2-CB 3.23Å; D73-S76 WeakPolarHBondContact OD2-CB 3.44Å; D73-S76 PolarHBondContact OD2-N 3.32Å; S76-G79 PolarHBondContact O-N 3.33Å; S76-V80 WeakPolarHBondContact O-CG2 3.41Å; S76-V80 PolarHBondContact O-N 2.92Å
77I80.8Confident75.1Confident2 Ų268.8 Ų68.81%0.0138%0.375CS..Hα-helixtrans-62.9-47.5178.8-63.9165.6000111.4L49 I52 I68 A72 D73 L74 G79 V80 L81L49-I77 HydrophobicContact CD1-CG1 4.21Å; L49-I77 HydrophobicContact CD1-CG2 4.32Å; L49-I77 HydrophobicContact CD2-CG1 4.28Å; I52-I77 HydrophobicContact CD1-CD1 3.58Å; I52-I77 HydrophobicContact CD1-CG1 3.76Å; I68-I77 HydrophobicContact CB-CD1 4.43Å; I68-I77 HydrophobicContact CD1-CD1 4.07Å; I68-I77 HydrophobicContact CD1-CG2 4.14Å; I68-I77 HydrophobicContact CG1-CD1 4.08Å; I68-I77 HydrophobicContact CG2-CD1 3.66Å; A72-I77 HydrophobicContact CB-CD1 3.83Å; D73-I77 WeakPolarHBondContact O-CG1 3.31Å; D73-I77 PolarHBondContact O-N 3.08Å; D73-I77 VanDerWaalsContact O-N 3.11Å; L74-I77 PolarHBondContact O-N 3.05Å; I77-G79 VanDerWaalsContact C-N 3.27Å; I77-G79 PolarHBondContact O-N 3.14Å; I77-V80 PolarHBondContact O-N 3.5Å; I77-L81 HydrophobicContact CG2-CD1 3.86Å; I77-L81 HydrophobicContact CG2-CG 4.28Å; I77-L81 WeakPolarHBondContact O-CG 3.11Å; I77-L81 PolarHBondContact O-N 3.04Å
78I78.6Confident74.3Confident76 Ų7667.6 Ų67.639%0.3937%0.37SS..Hα-helixtrans-61.5-38.7177.2-69.6164.6000110.4L74 Q75 T82L74-I78 WeakPolarHBondContact O-CB 3.37Å; L74-I78 WeakPolarHBondContact O-CD1 3.49Å; L74-I78 WeakPolarHBondContact O-CG1 3.25Å; L74-I78 PolarHBondContact O-N 3.07Å; Q75-I78 PolarHBondContact O-N 3.13Å; I78-T82 WeakPolarHBondContact O-CB 3.15Å; I78-T82 PolarHBondContact O-N 3.21Å; I78-T82 PolarHBondContact O-OG1 2.97Å
79G78.1Confident73.6Confident41 Ų4169.2 Ų69.242%0.42339%0.388SS..Hα-helixtrans-59.2-51.6173.700000112.7Q75 S76 I77 T82 A83Q75-G79 PolarHBondContact O-N 3.25Å; S76-G79 PolarHBondContact O-N 3.33Å; I77-G79 VanDerWaalsContact C-N 3.27Å; I77-G79 PolarHBondContact O-N 3.14Å; G79-T82 PolarHBondContact O-N 3.26Å; G79-A83 PolarHBondContact O-N 3.18Å
80V79.5Confident72.9Confident24 Ų2474.4 Ų74.415%0.14542%0.419CS..Hα-helixtrans-64.2-44.2178.81730000111.7Q47 L49 S76 I77 T82 A83 K84Q47-V80 WeakPolarHBondContact O-CG1 3.23Å; L49-V80 HydrophobicContact CD1-CB 4.13Å; L49-V80 HydrophobicContact CD1-CG1 4Å; L49-V80 HydrophobicContact CD2-CB 4.44Å; L49-V80 HydrophobicContact CD2-CG2 4.04Å; L49-V80 HydrophobicContact CG-CB 4.26Å; L49-V80 HydrophobicContact CG-CG1 4.07Å; L49-V80 HydrophobicContact CG-CG2 4.24Å; S76-V80 WeakPolarHBondContact O-CG2 3.41Å; S76-V80 PolarHBondContact O-N 2.92Å; I77-V80 PolarHBondContact O-N 3.5Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 3.02Å; V80-A83 WeakPolarHBondContact O-CB 3.33Å; V80-A83 PolarHBondContact O-N 2.81Å; V80-K84 WeakPolarHBondContact O-CB 3.42Å; V80-K84 PolarHBondContact O-N 3.12Å
81L78.6Confident72.3Confident10 Ų1078.3 Ų78.35%0.05244%0.439CS..Hα-helixtrans-66.5-33.4177-65177.7000112.3I54 V66 I77 K84 G85 F96 L98I54-L81 HydrophobicContact CD1-CD2 4.36Å; V66-L81 HydrophobicContact CG2-CD1 4.1Å; V66-L81 HydrophobicContact CG2-CD2 4.03Å; I77-L81 HydrophobicContact CG2-CD1 3.86Å; I77-L81 HydrophobicContact CG2-CG 4.28Å; I77-L81 WeakPolarHBondContact O-CG 3.11Å; I77-L81 PolarHBondContact O-N 3.04Å; L81-K84 PolarHBondContact O-N 3.09Å; L81-G85 PolarHBondContact O-N 2.94Å; L81-F96 HydrophobicContact CB-CD2 4.39Å; L81-F96 HydrophobicContact CB-CE2 4.48Å; L81-F96 HydrophobicContact CD1-CB 4.44Å; L81-F96 HydrophobicContact CD1-CG 4.43Å; L81-F96 HydrophobicContact CD2-CD1 4.01Å; L81-F96 HydrophobicContact CD2-CE1 4.08Å; L81-F96 HydrophobicContact CD2-CG 4.43Å; L81-L98 HydrophobicContact CD1-CD2 3.7Å
82T77.1Confident71.8Confident44 Ų4471.1 Ų71.127%0.2741%0.41SS..Hα-helixtrans-69.8-32.7173.4-60.10000112.2I78 G79 V80 K86I78-T82 WeakPolarHBondContact O-CB 3.15Å; I78-T82 PolarHBondContact O-N 3.21Å; I78-T82 PolarHBondContact O-OG1 2.97Å; G79-T82 PolarHBondContact O-N 3.26Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 3.02Å; T82-K86 WeakPolarHBondContact O-CD 3.35Å; T82-K86 WeakPolarHBondContact O-CG 3.05Å; T82-K86 PolarHBondContact O-N 3.36Å
83A75.3Confident71Confident51 Ų5170.6 Ų70.642%0.42140%0.403SS..Hα-helixtrans-68.3-47169.700000111G79 V80 G85 K86 E87G79-A83 PolarHBondContact O-N 3.18Å; V80-A83 WeakPolarHBondContact O-CB 3.33Å; V80-A83 PolarHBondContact O-N 2.81Å; A83-G85 VanDerWaalsContact C-N 3.31Å; A83-G85 PolarHBondContact O-N 2.89Å; A83-K86 WeakPolarHBondContact O-CA 3.2Å; A83-K86 WeakPolarHBondContact O-CB 3.38Å; A83-K86 PolarHBondContact O-N 2.91Å; A83-E87 PolarHBondContact O-N 2.89Å; A83-E87 VanDerWaalsContact O-N 3.07Å
84K72.9Confident70.3Confident48 Ų4871 Ų7121%0.20941%0.406CS..Hα-helixtrans-57.8-39.3177.8-161.9-176.8-171.4-173.50113V80 L81 K86 E87 S88 F96V80-K84 WeakPolarHBondContact O-CB 3.42Å; V80-K84 PolarHBondContact O-N 3.12Å; L81-K84 PolarHBondContact O-N 3.09Å; K84-K86 VanDerWaalsContact C-N 3.3Å; K84-K86 PolarHBondContact O-N 2.93Å; K84-E87 VanDerWaalsContact O-CG 3.24Å; K84-E87 WeakPolarHBondContact O-CG 3.19Å; K84-S88 VanDerWaalsContact O-CB 3.29Å; K84-S88 WeakPolarHBondContact O-CB 3.36Å; K84-S88 PolarHBondContact O-N 2.9Å; K84-S88 PolarHBondContact O-OG 3.03Å; K84-F96 HydrophobicContact CD-CE1 4.31Å; K84-F96 HydrophobicContact CD-CZ 4.39Å
85G70.5Confident70.1Confident27 Ų2771.9 Ų71.928%0.27841%0.405SS..Hα-helixtrans-66.4-27.7173.600000113.9L81 A83L81-G85 PolarHBondContact O-N 2.94Å; A83-G85 VanDerWaalsContact C-N 3.31Å; A83-G85 PolarHBondContact O-N 2.89Å
86K68.4Low70.1Confident165 Ų16567.8 Ų67.872%0.71739%0.386SS*.Hα-helixtrans-83-38.4179.6-72.1170.3-176.6174.50113.1T82 A83 K84 S88T82-K86 WeakPolarHBondContact O-CD 3.35Å; T82-K86 WeakPolarHBondContact O-CG 3.05Å; T82-K86 PolarHBondContact O-N 3.36Å; A83-K86 WeakPolarHBondContact O-CA 3.2Å; A83-K86 WeakPolarHBondContact O-CB 3.38Å; A83-K86 PolarHBondContact O-N 2.91Å; K84-K86 VanDerWaalsContact C-N 3.3Å; K84-K86 PolarHBondContact O-N 2.93Å; K86-S88 VanDerWaalsContact C-N 3.28Å; K86-S88 PolarHBondContact O-N 3.26Å
87E63.8Low70Confident145 Ų14568.1 Ų68.168%0.67838%0.382SS*.Hα-helixtrans-68.8-27173.463.3-176.1-167.700112.6A83 K84 G89A83-E87 PolarHBondContact O-N 2.89Å; A83-E87 VanDerWaalsContact O-N 3.07Å; K84-E87 VanDerWaalsContact O-CG 3.24Å; K84-E87 WeakPolarHBondContact O-CG 3.19Å; E87-G89 VanDerWaalsContact C-N 3.28Å; E87-G89 PolarHBondContact O-N 3.01Å
88S62.5Low70Confident32 Ų3271.1 Ų71.122%0.22440%0.398CS..THydrogen-bonded Turntrans-70.4-13.6-177.9-71.20000115.5K84 K86 G92K84-S88 VanDerWaalsContact O-CB 3.29Å; K84-S88 WeakPolarHBondContact O-CB 3.36Å; K84-S88 PolarHBondContact O-N 2.9Å; K84-S88 PolarHBondContact O-OG 3.03Å; K86-S88 VanDerWaalsContact C-N 3.28Å; K86-S88 PolarHBondContact O-N 3.26Å; S88-G92 PolarHBondContact O-N 2.87Å; S88-G92 VanDerWaalsContact O-N 3.08Å
89G64.5Low69.8Low43 Ų4371.9 Ų71.944%0.44340%0.402SS..G310 helixtrans58.5-152.5177.400000114.8E87 Q91E87-G89 VanDerWaalsContact C-N 3.28Å; E87-G89 PolarHBondContact O-N 3.01Å; G89-Q91 PolarHBondContact O-N 3.13Å
90V57.1Low69.3Low156 Ų15674.5 Ų74.595%0.94541%0.414SS*.G310 helixtrans-81.13.8-176.5-158.90000112.6
91Q54.3Low68.1Low196 Ų19678.9 Ų78.992%0.91643%0.433SS*.G310 helixtrans-133.5-0.9-167.3-15417411.100114.6G89G89-Q91 PolarHBondContact O-N 3.13Å
92G59.3Low66.3Low15 Ų1584.1 Ų84.116%0.15547%0.47CS..SBendtrans-113.9176.7175.200000113.6S88 N94S88-G92 PolarHBondContact O-N 2.87Å; S88-G92 VanDerWaalsContact O-N 3.08Å; G92-N94 PolarHBondContact O-N 3.27Å; G92-N94 PolarHBondContact O-ND2 2.8Å
93P58.2Low64.5Low19 Ų1984.9 Ų84.912%0.12349%0.486CS..  trans-62.7107.2-160.724.6-35.4000113D62 Q64 K95D62-P93 WeakPolarHBondContact OD1-CA 3.16Å; Q64-P93 HydrophobicContact CG-CB 4.13Å; Q64-P93 HydrophobicContact CG-CG 4.24Å; P93-K95 PolarHBondContact O-N 2.95Å
94N62.4Low62.4Low102 Ų10288.1 Ų88.155%0.54551%0.506SS..  trans-85.89.8177.3-87.8-105.8000113D62 G92D62-N94 PolarHBondContact OD1-N 2.99Å; G92-N94 PolarHBondContact O-N 3.27Å; G92-N94 PolarHBondContact O-ND2 2.8Å
95K72Confident60.8Low114 Ų11496.8 Ų96.850%0.49654%0.538SS..EExtended strand (participates in β ladder)trans-141129.3-175.6-56.8176.3-178.3-62.50111.5D62 T63 Q64 P93D62-K95 WeakPolarHBondContact O-CB 3.43Å; T63-K95 WeakPolarHBondContact CA-O 3.48Å; T63-K95 HydrophobicContact CG2-CB 4.05Å; T63-K95 WeakPolarHBondContact OG1-CD 3.22Å; Q64-K95 PolarHBondContact N-O 3.38Å; P93-K95 PolarHBondContact O-N 2.95Å
96F79.1Confident58.8Low54 Ų5498.8 Ų98.824%0.23756%0.558CS.*EExtended strand (participates in β ladder)trans-123.3131174-60-75.4000109.9Q64 V66 L81 K84 L98Q64-F96 HydrophobicContact CB-CD1 3.93Å; Q64-F96 HydrophobicContact CB-CE1 4.08Å; Q64-F96 CarbonylContact O-C 3.58Å; Q64-F96 VanDerWaalsContact O-CA 3.29Å; Q64-F96 WeakPolarHBondContact O-CA 3.4Å; V66-F96 HydrophobicContact CG2-CD1 4.33Å; L81-F96 HydrophobicContact CB-CD2 4.39Å; L81-F96 HydrophobicContact CB-CE2 4.48Å; L81-F96 HydrophobicContact CD1-CB 4.44Å; L81-F96 HydrophobicContact CD1-CG 4.43Å; L81-F96 HydrophobicContact CD2-CD1 4.01Å; L81-F96 HydrophobicContact CD2-CE1 4.08Å; L81-F96 HydrophobicContact CD2-CG 4.43Å; K84-F96 HydrophobicContact CD-CE1 4.31Å; K84-F96 HydrophobicContact CD-CZ 4.39Å; F96-L98 HydrophobicContact CB-CD2 4.5Å
97I76.8Confident57.3Low67 Ų6798.4 Ų98.434%0.34456%0.564SS.*EExtended strand (participates in β ladder)trans-103.9122.2172.7-61.2174.3000107T63 Q64 V65 V66 L99T63-I97 HydrophobicContact CG2-CD1 3.72Å; T63-I97 HydrophobicContact CG2-CG1 3.92Å; Q64-I97 PolarHBondContact O-N 2.7Å; V65-I97 CarbonylContact C-O 3.59Å; V65-I97 WeakPolarHBondContact CA-O 3.35Å; V65-I97 HydrophobicContact CG2-CB 4.36Å; V65-I97 HydrophobicContact CG2-CD1 4.49Å; V66-I97 PolarHBondContact N-O 2.8Å; I97-L99 HydrophobicContact CG2-CD2 4.26Å
98L81.2Confident55.6Low65 Ų6595.1 Ų95.134%0.3457%0.569SS.*EExtended strand (participates in β ladder)trans-101.2123.3-179.3-51.9-175.6000109.4V66 I68 L81 F96V66-L98 HydrophobicContact CB-CD2 3.89Å; V66-L98 HydrophobicContact CG1-CD2 4.49Å; V66-L98 HydrophobicContact CG2-CD2 4.28Å; V66-L98 WeakPolarHBondContact O-CA 3.4Å; I68-L98 HydrophobicContact CD1-CB 4.09Å; I68-L98 HydrophobicContact CD1-CD1 4.09Å; I68-L98 HydrophobicContact CD1-CD2 4.26Å; I68-L98 HydrophobicContact CD1-CG 4.37Å; L81-L98 HydrophobicContact CD1-CD2 3.7Å; F96-L98 HydrophobicContact CB-CD2 4.5Å
99L73.5Confident53.9Low91 Ų9199.3 Ų99.348%0.47660%0.598SS.*EExtended strand (participates in β ladder)trans-109.8125.1175.3-61.6180000109.4V65 V66 I68 I97V65-L99 HydrophobicContact CG1-CD1 3.62Å; V65-L99 HydrophobicContact CG1-CG 3.98Å; V66-L99 PolarHBondContact O-N 2.69Å; I68-L99 PolarHBondContact N-O 3.36Å; I97-L99 HydrophobicContact CG2-CD2 4.26Å
100S67.8Low51.9Low97 Ų97106.7 Ų106.768%0.67862%0.618SS**EExtended strand (participates in β ladder)trans-114.1134.8177.7-175.60000110S102S100-S102 PolarHBondContact O-N 2.82Å
101E54.4Low50.5Low116 Ų116104.2 Ų104.254%0.54261%0.607SS.*  trans-84.890.7-169.8-164-143.7130.500111.9K70 G103K70-E101 WeakPolarHBondContact CE-O 3.21Å; K70-E101 IonicContact NZ-OE1 2.59Å; K70-E101 PolarHBondContact NZ-OE1 3.15Å; K70-E101 IonicContact NZ-OE2 2.7Å; K70-E101 PolarHBondContact NZ-OE2 2.94Å; E101-G103 PolarHBondContact O-N 3.23Å
102S40.9Very low49.1Very low120 Ų120104.5 Ų104.584%0.83961%0.608SS**  trans-81.1101.9176.4-167.80000111.9S100 S104S100-S102 PolarHBondContact O-N 2.82Å; S102-S104 PolarHBondContact O-N 3.17Å
103G38.6Very low47.4Very low59 Ų59108 Ų10861%0.60864%0.635SS**  trans-81.489.3-176.100000114.3E101 R105E101-G103 PolarHBondContact O-N 3.23Å; G103-R105 PolarHBondContact O-N 3.17Å
104S32.1Very low45.8Very low119 Ų119111.7 Ų111.783%0.83267%0.668SS**  trans-74.5110.7168.6-1720000111S102 G106S102-S104 PolarHBondContact O-N 3.17Å; S104-G106 PolarHBondContact O-N 3.06Å; S104-G106 VanDerWaalsContact O-N 3.12Å
105R38.7Very low44Very low231 Ų231113 Ų11387%0.87268%0.679SS**  trans-89.371-172.7-157.6178.8-162.8-1364.8112.4G103 N107G103-R105 PolarHBondContact O-N 3.17Å; R105-N107 PolarHBondContact O-N 3.08Å
106G29.8Very low41.9Very low68 Ų68117.3 Ų117.370%0.70170%0.698SS**  trans-68.3104.9176.800000113.2S104 G108S104-G106 PolarHBondContact O-N 3.06Å; S104-G106 VanDerWaalsContact O-N 3.12Å; G106-G108 PolarHBondContact O-N 3.33Å
107N36.3Very low39.3Very low158 Ų158123 Ų12385%0.84573%0.725SS**  trans-74.786.9169.3-882.1000110.4R105R105-N107 PolarHBondContact O-N 3.08Å
108G27.9Very low36.8Very low76 Ų76128.1 Ų128.178%0.78475%0.748SS**  trans-122.269176.900000112.5G106G106-G108 PolarHBondContact O-N 3.33Å
109S27.9Very low34.3Very low119 Ų119130.2 Ų130.283%0.83277%0.768SS**  trans-89.9112.5176.1-171.70000111
110F22.4Very low32.1Very low198 Ų198131.5 Ų131.587%0.86878%0.784SS**  trans-127.9143.6156.2-161.6-92.8000109.4
111C26.8Very low30.7Very low105 Ų105132.9 Ų132.971%0.70979%0.791SS**  trans-83.7145.3-165.1-53.70000112.9
112Q25.5Very low29.4Very low201 Ų201131.7 Ų131.794%0.93980%0.801SS**  trans-138.6158.7142.2-154.8153.617.300110.1
113A23.1Very low28.7Very low88 Ų88129.7 Ų129.773%0.72780%0.799SS**  trans-130.4166.4-154.800000113.8
114A23.8Very low28.2Very low97 Ų97131.6 Ų131.680%0.80280%0.803SS**  trans68.1157.4175.900000114.6
115V25.6Very low28Very low131 Ų131132.4 Ų132.479%0.79480%0.803SS**  cis-121.4157.87.1176.90000110.2
116K27.6Very low27.4Very low203 Ų203125.5 Ų125.588%0.88380%0.796SS**  trans-141.2117.2170.4-163.3-178.1-174.7-173.40111.8
117E25.3Very low27.2Very low174 Ų174126.8 Ų126.881%0.81380%0.8SS**  trans-124.7150.8163.4-73.5-176.7160.700106.6
118E24.4Very low26.9Very low175 Ų175127.4 Ų127.482%0.81880%0.798SS**  cis-148.1-165-5-145.9-147134.200109.7
119S27.8Very low27.5Very low109 Ų109128.4 Ų128.476%0.76279%0.79SS**  trans77.6119.5170.873.20000118.5
120S26.9Very low27.5Very low117 Ų117128.2 Ų128.282%0.81878%0.784SS**  trans-104.3-162.3172.1-44.20000108.4
121P39.5Very low27.8Very low126 Ų126127.8 Ų127.882%0.81878%0.781SS**  cis-123.9-169.41.344.7-28000112.5
122A27.6Very low28Very low92 Ų92127.1 Ų127.176%0.7678%0.778SS**  cis-136163.3-0.700000108.9
123G25.5Very low28.1Very low77 Ų77124.1 Ų124.179%0.79477%0.768SS**  74.8129.777.200000112.5
124S28.2Very low28.5Very low100 Ų100125.8 Ų125.870%0.69977%0.769SS**  cis-170.4155.12.1-175.90000111.3
125T28Very low28.9Very low135 Ų135127.2 Ų127.283%0.82876%0.762SS**  trans58.5169.7157.842.50000119.3
126A25.2Very low29.2Very low86 Ų86129.6 Ų129.671%0.71177%0.765SS**  cis-170.5156.7-42.400000110.3
127A26.1Very low29.4Very low95 Ų95126.3 Ų126.379%0.78576%0.756SS**  trans56.2129.7165.700000119.2
128Q29.1Very low29.6Very low172 Ų172125.7 Ų125.780%0.80476%0.756SS**  53.2147.767.4-66.6-70.3-6.200114.5
129P41.8Very low30.7Very low96 Ų96123.2 Ų123.262%0.62376%0.755SS**  cis-147.4-174.6-7.528.6-1.5000117.8
130V27.3Very low30.7Very low115 Ų115125.2 Ų125.270%0.69776%0.757SS**  trans67.2141.3145.3-76.80000128
131K28.7Very low30.9Very low190 Ų190124.5 Ų124.583%0.82676%0.758SS**  trans81.8149.7140.3-79.4163.8-174.7-178.70120.5
132S31.7Very low30.5Very low90 Ų90128.1 Ų128.163%0.62976%0.761SS**  cis-160.4-178-10.658.70000114
133D28.2Very low31Very low138 Ų138128.6 Ų128.674%0.73876%0.756SS**  trans84.9151.2152.1-88-83.3000120.4
134T30.4Very low31.1Very low123 Ų123132.4 Ų132.476%0.75576%0.757SS**  cis-147-163.3-0.1-1530000114.4
135I33.2Very low30.9Very low128 Ų128134.1 Ų134.166%0.65676%0.764SS**  trans-106.3151.5-168-69.1163.3000114.6
136H31.4Very low31Very low181 Ų181131 Ų13184%0.83876%0.758SS**  trans-164.1172.9133.7-119.1-96.6000114.5
137N31.8Very low31.2Very low133 Ų133134.7 Ų134.771%0.71177%0.766SS**  trans-112.4165.8-145.4-67.2-46000119.5
138M30.1Very low31.4Very low162 Ų162139.6 Ų139.680%0.79877%0.773SS**  trans-52.2165.7162.2-106.3161.165.700115
139P45.8Very low31.4Very low123 Ų123136.7 Ų136.780%0.79977%0.772SS**  -146.7-175.754.941.4-20.4000118.5
140D28.9Very low30.6Very low150 Ų150137.3 Ų137.380%0.80278%0.778SS**  trans-72.5142.1-176.3-77.6-80.3000117.2
141A29.7Very low31Very low102 Ų102136.7 Ų136.784%0.84379%0.785SS**  trans-169.4144.9135.800000113.2
142K31.8Very low31Very low203 Ų203133.3 Ų133.388%0.88379%0.785SS**  trans-93.8170.8160.7-102.5-179.8178.7174.10109.1
143P38.2Very low30.9Very low102 Ų102135.7 Ų135.766%0.66280%0.8SS**  cis-142.1-174.520.844.8-26.8000116.8
144L26.6Very low31.1Very low156 Ų156134.2 Ų134.282%0.81780%0.801SS**  trans67142.6165.2-55.9167.5000115.7
145T25.1Very low31.6Very low137 Ų137133.7 Ų133.784%0.8480%0.8SS**  cis-154155.1-3.4-7.30000109.4
146G29.5Very low31.8Very low68 Ų68136.2 Ų136.270%0.70181%0.814SS**  trans127.8119.1168.200000113.6
147N29.3Very low32.1Very low164 Ų164134.9 Ų134.988%0.87781%0.812SS**  trans-84.3126.8-173.1-61.7-7.9000111.6
148Q30.4Very low32.9Very low199 Ų199134.6 Ų134.693%0.9381%0.811SS**  trans-137.1111.3158.9-76.9-153.845.500111.8
149S29.8Very low33.5Very low111 Ų111131.8 Ų131.878%0.77681%0.807SS**  trans-169137.4169.754.10000107.1
150S24.9Very low33.5Very low108 Ų108134 Ų13476%0.75581%0.812SS**  cis-165.8140.8-6.846.20000109.3
151A35.3Very low34.6Very low103 Ų103132.1 Ų132.185%0.85181%0.806SS**  trans3891.2160.300000118.8
152S28.8Very low35.3Very low119 Ų119132.6 Ų132.683%0.83279%0.794SS**  trans-172.4121.8133.133.60000110.7
153C29.5Very low36.7Very low139 Ų139127.6 Ų127.694%0.93978%0.776SS**  trans-87.7116.6169.4-78.10000110.1
154S33.7Very low37.5Very low107 Ų107129.8 Ų129.875%0.74878%0.777SS**  trans-69-169.1160.553.50000111.2
155P40Very low38.7Very low113 Ų113131.3 Ų131.373%0.73477%0.772SS**  -126.5159.7-67.736.3-22.7000111.3
156L37.8Very low40Very low181 Ų181129.9 Ų129.995%0.94876%0.759SS**  trans-111.1137.7164.2-72.7177.8000110.2
157D36.9Very low40.8Very low152 Ų152129.4 Ų129.481%0.81375%0.754SS**  trans-93.1163-160.7-168.221.6000113.4S159D157-S159 PolarHBondContact O-N 2.93Å
158D48.5Very low41.3Very low127 Ų127130.7 Ų130.768%0.67975%0.752SS**  trans-67.5122.1-174.3-97.5-52.3000112.8
159S42.2Very low41.6Very low104 Ų104129.1 Ų129.173%0.72775%0.747SS**  trans-137.514.5175-75.80000114.5D157D157-S159 PolarHBondContact O-N 2.93Å
160L45.7Very low42Very low169 Ų169131.3 Ų131.389%0.88575%0.75SS**SBendtrans-112.511.4178.1-68.5180000114.9
161T53.6Low42.1Very low111 Ų111132.6 Ų132.668%0.68175%0.753SS**  trans-107.42.2174.846.60000114.2I163T161-I163 VanDerWaalsContact C-N 3.29Å; T161-I163 PolarHBondContact O-N 3.5Å
162N44.7Very low42.2Very low111 Ų111133.4 Ų133.459%0.59475%0.753SS**  trans-78.273.2178.2-167-6.9000113.1Q164N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.35Å; N162-Q164 VanDerWaalsContact OD1-CG 3.26Å; N162-Q164 WeakPolarHBondContact OD1-CG 3.2Å; N162-Q164 PolarHBondContact OD1-N 2.93Å
163I61.2Low42.2Very low98 Ų98131.8 Ų131.850%0.50375%0.747SS.*  trans-99.131.1170.4-36.6-175.6000110.3T161 W165 L166T161-I163 VanDerWaalsContact C-N 3.29Å; T161-I163 PolarHBondContact O-N 3.5Å; I163-W165 HydrophobicContact CG2-CZ2 4.33Å; I163-W165 PolarHBondContact O-N 3.41Å; I163-W165 VanDerWaalsContact O-N 3.08Å; I163-L166 HydrophobicContact CG2-CB 4.45Å; I163-L166 HydrophobicContact CG2-CD1 3.78Å; I163-L166 PolarHBondContact O-N 2.9Å
164Q54.1Low42.1Very low148 Ų148133.2 Ų133.269%0.69274%0.744SS**G310 helixtrans-65.1-13.8-176.3-66.8-178.62.700113.8N162 L166 G167N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.35Å; N162-Q164 VanDerWaalsContact OD1-CG 3.26Å; N162-Q164 WeakPolarHBondContact OD1-CG 3.2Å; N162-Q164 PolarHBondContact OD1-N 2.93Å; Q164-L166 VanDerWaalsContact C-N 3.26Å; Q164-L166 PolarHBondContact O-N 3.4Å; Q164-G167 PolarHBondContact O-N 3.12Å
165W52.4Low42.2Very low189 Ų189134.9 Ų134.972%0.71674%0.74SS**G310 helixtrans-64.1-29.3175.264.1-94.3000113.1I163 G167I163-W165 HydrophobicContact CG2-CZ2 4.33Å; I163-W165 PolarHBondContact O-N 3.41Å; I163-W165 VanDerWaalsContact O-N 3.08Å; W165-G167 VanDerWaalsContact C-N 3.3Å; W165-G167 PolarHBondContact O-N 3.38Å
166L52Low41.9Very low106 Ų106134.7 Ų134.756%0.55574%0.739SS**G310 helixtrans-74.8-15.4175.7-102.2151000113.6I163 Q164 K168I163-L166 HydrophobicContact CG2-CB 4.45Å; I163-L166 HydrophobicContact CG2-CD1 3.78Å; I163-L166 PolarHBondContact O-N 2.9Å; Q164-L166 VanDerWaalsContact C-N 3.26Å; Q164-L166 PolarHBondContact O-N 3.4Å; L166-K168 VanDerWaalsContact C-N 3.31Å; L166-K168 PolarHBondContact O-N 3Å
167G45.3Very low41.4Very low59 Ų59133 Ų13361%0.60873%0.726SS**G310 helixtrans-78.2-8.417900000115.1Q164 W165 M169Q164-G167 PolarHBondContact O-N 3.12Å; W165-G167 VanDerWaalsContact C-N 3.3Å; W165-G167 PolarHBondContact O-N 3.38Å; G167-M169 PolarHBondContact O-N 2.89Å
168K41.2Very low41Very low190 Ų190133.3 Ų133.383%0.82673%0.727SS**  trans-92.550.8-171.2-68.4-171.8176.5-179.50114.3L166L166-K168 VanDerWaalsContact C-N 3.31Å; L166-K168 PolarHBondContact O-N 3Å
169M35.5Very low40Very low167 Ų167130.5 Ų130.582%0.82372%0.721SS**  trans-141.148.6163.964.2175.3-177.900113.9G167G167-M169 PolarHBondContact O-N 2.89Å
170N39.2Very low39.5Very low156 Ų156131.8 Ų131.883%0.83472%0.72SS**  trans-103.5103.7166.1-112.94.6000110.4
171T27.3Very low38.7Very low135 Ų135131.7 Ų131.783%0.82872%0.715SS**  trans-142.185.915651.70000109.7
172S37.6Very low37.4Very low121 Ų121131.5 Ų131.585%0.84671%0.714SS**  trans-66.2134.515440.60000108.7
173A28.5Very low36.7Very low85 Ų85131.7 Ų131.770%0.70272%0.719SS**  trans-142.6100.3-17800000112.1
174L27.4Very low35.1Very low169 Ų169133.1 Ų133.189%0.88573%0.728SS**  trans63.2101.3150.5-50.3-178.2000119.1
175E35.6Very low34.3Very low141 Ų141134.6 Ų134.666%0.65973%0.732SS**  trans-87.9143.4149.8-155.9-76.7140.500108.6Q177E175-Q177 VanDerWaalsContact CD-N 3.28Å; E175-Q177 PolarHBondContact OE1-N 3.35Å; E175-Q177 VanDerWaalsContact OE1-N 3.07Å; E175-Q177 PolarHBondContact OE2-N 3.46Å; E175-Q177 PolarHBondContact OE2-NE2 2.69Å
176P33.9Very low33.2Very low110 Ų110134 Ų13471%0.71474%0.737SS**  trans-141.9100.515233.7-15.7000114.9
177Q26.4Very low32.3Very low145 Ų145138.4 Ų138.468%0.67875%0.752SS**  35.5132125.4-58.1-64.3-68.700119.6E175E175-Q177 VanDerWaalsContact CD-N 3.28Å; E175-Q177 PolarHBondContact OE1-N 3.35Å; E175-Q177 VanDerWaalsContact OE1-N 3.07Å; E175-Q177 PolarHBondContact OE2-N 3.46Å; E175-Q177 PolarHBondContact OE2-NE2 2.69Å
178L29.5Very low31.6Very low158 Ų158143.7 Ų143.783%0.82776%0.758SS**  172133.892.8-174.357.6000115.7
179A27.8Very low31.1Very low68 Ų68142.9 Ų142.956%0.56276%0.762SS**  trans52.4122.9152.900000123.8
180N30.1Very low30.9Very low131 Ų131143.1 Ų143.170%0.70176%0.761SS**  -177.9128.194.2-89.4-60.4000109.6
181Q29.4Very low30.3Very low168 Ų168139.9 Ų139.979%0.78576%0.756SS**  61.3126.383.8-72.7-162.8105.900114.2
182T26.6Very low30.7Very low107 Ų107139.5 Ų139.566%0.65676%0.756SS**  cis-151.7165.78.6570000115
183T29.3Very low30.4Very low115 Ų115141.9 Ų141.971%0.70675%0.754SS**  trans61.8123142.9490000125.3
184D29.2Very low30.6Very low127 Ų127146 Ų14668%0.67976%0.762SS**  trans91.2131.1130.1-91.4-65.1000125.8
185K36Very low30.9Very low180 Ų180144.8 Ų144.878%0.78376%0.756SS**  trans67.690146.7-75.6157.7-169.8163.10123.3
186E29Very low30.8Very low175 Ų175145.6 Ų145.682%0.81876%0.759SS**  24.2116.1124.7-162.7-155.7131.400120.3
187K32.9Very low30.4Very low199 Ų199146.9 Ų146.987%0.86577%0.765SS**  -158.5116125.9-120.6168.4-173.6169.60115.7
188K30.7Very low30.7Very low171 Ų171146.8 Ų146.874%0.74377%0.765SS**  trans-1.6124.1153.4179.5-179.7-179.2176.50118.6
189L31.6Very low30.8Very low172 Ų172144.9 Ų144.990%0.90176%0.764SS**  -156.6153.3124.6-107170.7000110.5
190Q30.3Very low30.8Very low172 Ų172147.6 Ų147.680%0.80477%0.774SS**  trans-114.9150.4-171.1-70.3168.8-36.500111.7
191A27.9Very low31.3Very low88 Ų88149.5 Ų149.573%0.72778%0.784SS**  trans-109.3141.816200000109.3
192P35.6Very low31.5Very low128 Ų128146 Ų14683%0.83178%0.779SS**PPolyproline II helixtrans-77.1142.2-172.130.5-35000112.9
193Q31.3Very low31.6Very low171 Ų171147.7 Ų147.780%0.79978%0.784SS**PPolyproline II helixtrans-82.8148.4168.5-62.4177.4-2.300110.3
194I31.6Very low32.5Very low172 Ų172148.2 Ų148.288%0.88279%0.789SS**PPolyproline II helixtrans-94.5120.7162.4-62.5177.8000106.7
195L34.3Very low32.6Very low143 Ų143150 Ų15075%0.74979%0.793SS**PPolyproline II helixtrans-75.8145.8-177.5-7488.8000111.8
196Q33.3Very low32.8Very low157 Ų157145.1 Ų145.173%0.73479%0.794SS**PPolyproline II helixtrans-74.3147149.4-66.8178-7.400108.9H198Q196-H198 PolarHBondContact OE1-CE1 3.16Å
197T26.7Very low33.3Very low138 Ų138141.8 Ų141.885%0.84779%0.79SS**  trans-119.5143.9157.945.90000109
198H31.5Very low34Very low142 Ų142139.6 Ų139.666%0.65778%0.783SS**  trans-111.8170.4-170.4-43.4-78.8000111.1Q196Q196-H198 PolarHBondContact OE1-CE1 3.16Å
199S32.5Very low34.6Very low118 Ų118139.8 Ų139.883%0.82579%0.786SS**  trans72.9155.6170.4-46.30000114.9
200T27.6Very low35.7Very low125 Ų125136.1 Ų136.177%0.76777%0.773SS**  cis-124.71644.344.20000112.5
201N40.5Very low37.1Very low171 Ų171133 Ų13391%0.91477%0.766SS**  trans-88.4123172.7-149.813000109.9
202S32.9Very low39.4Very low96 Ų96133 Ų13367%0.67175%0.753SS**  trans-160115174.657.80000113.8
203N30Very low41.8Very low141 Ų141134.2 Ų134.275%0.75475%0.748SS**  trans64.1132.9164.1-142.241.5000118.6E205N203-E205 PolarHBondContact O-N 3.28Å
204P46.4Very low44.7Very low127 Ų127133.7 Ų133.783%0.82574%0.738SS**  trans-88.381.8175.335.2-32.4000111.4
205E31.5Very low47.6Very low164 Ų164126.2 Ų126.277%0.76670%0.701SS**  trans-98.2121171.8-163.5164.1-173.800110.6N203 S207N203-E205 PolarHBondContact O-N 3.28Å; E205-S207 VanDerWaalsContact C-N 3.25Å; E205-S207 PolarHBondContact O-N 2.86Å
206G41.8Very low50.4Low77 Ų77125.2 Ų125.279%0.79470%0.703SS**  trans-72.959.2-16300000115.9
207S38.3Very low53.3Low106 Ų106120 Ų12074%0.74168%0.677SS**  trans-76122.7171.553.90000110.9E205 Q209E205-S207 VanDerWaalsContact C-N 3.25Å; E205-S207 PolarHBondContact O-N 2.86Å; S207-Q209 PolarHBondContact O-N 3.23Å; S207-Q209 VanDerWaalsContact O-N 3.08Å
208H47.2Very low56.6Low152 Ų152116.7 Ų116.770%0.70466%0.659SS**  trans-60.4112.3-177.7-59.5-85.1000111.2
209Q44.1Very low59.8Low175 Ų175112.2 Ų112.282%0.81864%0.637SS**  trans-59.5130.7163.2-86.9-152.3-9.600108.9S207 T211S207-Q209 PolarHBondContact O-N 3.23Å; S207-Q209 VanDerWaalsContact O-N 3.08Å; Q209-T211 PolarHBondContact O-N 2.7Å; Q209-T211 VanDerWaalsContact O-N 3.12Å
210P54.5Low62.8Low96 Ų96107.5 Ų107.562%0.62360%0.603SS**  trans-57.9120.7174.6-22.833.3000109.3L212P210-L212 PolarHBondContact O-N 3.28Å
211T60.3Low66.1Low107 Ų107102.4 Ų102.466%0.65657%0.574SS**  trans-67.397.8-175.350.40000110.2Q209 Q213Q209-T211 PolarHBondContact O-N 2.7Å; Q209-T211 VanDerWaalsContact O-N 3.12Å; T211-Q213 PolarHBondContact O-N 3.08Å
212L76.1Confident68.8Low87 Ų8794.2 Ų94.246%0.45553%0.53SS..  trans-66.95.7168.4-70.5173000112.9P210 P249 Y250 V254P210-L212 PolarHBondContact O-N 3.28Å; L212-P249 HydrophobicContact CD2-CB 4.12Å; L212-Y250 WeakPolarHBondContact O-CD2 3.43Å; L212-V254 HydrophobicContact CB-CG2 4.45Å; L212-V254 HydrophobicContact CD2-CG2 4.4Å
213Q86.4Confident71.8Confident154 Ų15489.7 Ų89.772%0.7250%0.498SS*.SBendtrans-74.8159166.7-60.1-173.89.400110.8T211 Y250T211-Q213 PolarHBondContact O-N 3.08Å; Q213-Y250 WeakPolarHBondContact O-CB 3.32Å
214R90.4Very high75Confident159 Ų15984 Ų8460%0.647%0.467SS*.PPolyproline II helixtrans-65.1127.8177-179.9175.7167.6-163.9-7.6110.2Y250R214-Y250 HydrophobicContact CB-CD1 4.19Å; R214-Y250 HydrophobicContact CB-CD2 4.31Å; R214-Y250 HydrophobicContact CB-CE1 3.85Å; R214-Y250 HydrophobicContact CB-CE2 3.99Å; R214-Y250 HydrophobicContact CB-CG 4.41Å; R214-Y250 HydrophobicContact CG-CD1 4.24Å; R214-Y250 HydrophobicContact CG-CE1 3.77Å
215P92.4Very high77.4Confident16 Ų1678.1 Ų78.110%0.10443%0.429CS..PPolyproline II helixtrans-60.1146.8178.2-22.631.1000112.6Y217 F248 Y251P215-Y217 HydrophobicContact CB-CD2 3.87Å; P215-Y217 PolarHBondContact O-N 3.31Å; P215-F248 HydrophobicContact CB-CD1 3.77Å; P215-F248 HydrophobicContact CB-CE1 3.95Å; P215-F248 HydrophobicContact CB-CG 4.34Å; P215-F248 HydrophobicContact CG-CB 3.73Å; P215-F248 HydrophobicContact CG-CD1 3.36Å; P215-F248 HydrophobicContact CG-CE1 4.08Å; P215-F248 HydrophobicContact CG-CG 3.63Å; P215-Y251 HydrophobicContact CG-CE2 4.06Å
216P93.8Very high80.5Confident121 Ų12170.3 Ų70.379%0.78639%0.392SS*.SBendtrans-76.538.3179.334.6-37.9000112.8
217Y94.6Very high83.1Confident49 Ų4966.7 Ų66.719%0.19235%0.354CS..  trans-126142.2-174.2-56.8-50.3000111.5P215 F225 F248 L298 V301P215-Y217 HydrophobicContact CB-CD2 3.87Å; P215-Y217 PolarHBondContact O-N 3.31Å; Y217-F225 HydrophobicContact CD1-CE2 4.21Å; Y217-F225 HydrophobicContact CD1-CZ 4.39Å; Y217-F225 HydrophobicContact CD2-CE2 4.15Å; Y217-F225 HydrophobicContact CE2-CE2 4.46Å; Y217-F225 HydrophobicContact CG-CE2 4.02Å; Y217-F248 AromaticContact CD2-CE1 3.69Å; Y217-F248 HydrophobicContact CD2-CE1 3.69Å; Y217-F248 AromaticContact CD2-CZ 3.56Å; Y217-F248 HydrophobicContact CD2-CZ 3.56Å; Y217-F248 AromaticContact CE2-CE1 3.78Å; Y217-F248 HydrophobicContact CE2-CE1 3.78Å; Y217-F248 AromaticContact CE2-CZ 3.91Å; Y217-F248 HydrophobicContact CE2-CZ 3.91Å; Y217-L298 HydrophobicContact CE2-CD1 4.27Å; Y217-V301 HydrophobicContact CE1-CG1 3.56Å
218S96.4Very high85.8Confident68 Ų6861.9 Ų61.948%0.47632%0.321SS..  trans-72.5157.9172.169.30000111T220 A221 M222S218-T220 PolarHBondContact O-N 3.24Å; S218-A221 PolarHBondContact O-N 3.14Å; S218-A221 VanDerWaalsContact O-N 3.17Å; S218-A221 WeakPolarHBondContact OG-CB 3.21Å; S218-A221 PolarHBondContact OG-N 2.83Å; S218-A221 VanDerWaalsContact OG-N 3.08Å; S218-M222 PolarHBondContact O-N 2.82Å
219Y97.3Very high88Confident47 Ų4757.5 Ų57.518%0.18431%0.307CS..Hα-helixtrans-56.9-40172.7-70.4-59.7000111.6M222 I223 Y251 W259 S262 I263Y219-M222 HydrophobicContact CD1-CE 3.72Å; Y219-M222 HydrophobicContact CE1-CE 4.13Å; Y219-M222 HydrophobicContact CG-CE 4.46Å; Y219-M222 PolarHBondContact O-N 2.95Å; Y219-I223 WeakPolarHBondContact O-CB 3.42Å; Y219-I223 VanDerWaalsContact O-CD1 3.3Å; Y219-I223 WeakPolarHBondContact O-CD1 3.5Å; Y219-I223 WeakPolarHBondContact O-CG1 3.39Å; Y219-I223 PolarHBondContact O-N 3.39Å; Y219-Y251 AromaticContact CE1-CE1 3.81Å; Y219-Y251 HydrophobicContact CE1-CE1 3.81Å; Y219-Y251 AromaticContact CE1-CZ 4Å; Y219-W259 HydrophobicContact CE1-CB 4.46Å; Y219-S262 VanDerWaalsContact CE2-CB 3.43Å; Y219-I263 HydrophobicContact CD1-CD1 3.58Å; Y219-I263 HydrophobicContact CD1-CG1 4.32Å; Y219-I263 HydrophobicContact CE1-CD1 4.35Å; Y219-I263 HydrophobicContact CG-CD1 4.24Å
220T97.1Very high90.3Very high20 Ų2053 Ų5312%0.12328%0.282CS..Hα-helixtrans-57.1-49.1173.4-530000112.2S218 I223 Q224 N266 H270 M272 F273S218-T220 PolarHBondContact O-N 3.24Å; T220-I223 PolarHBondContact O-N 2.98Å; T220-Q224 WeakPolarHBondContact O-CG 3.34Å; T220-Q224 PolarHBondContact O-N 2.79Å; T220-N266 PolarHBondContact OG1-OD1 2.62Å; T220-H270 PolarHBondContact OG1-CD2 3.01Å; T220-H270 PolarHBondContact OG1-NE2 2.97Å; T220-M272 HydrophobicContact CG2-CE 4.46Å; T220-M272 HydrophobicContact CG2-SD 3.68Å; T220-F273 HydrophobicContact CG2-CE2 3.92Å; T220-F273 HydrophobicContact CG2-CZ 3.84Å
221A96.1Very high91.9Very high17 Ų1758.8 Ų58.814%0.1430%0.298CS..Hα-helixtrans-62.2-45.6177.500000112.1S218 I223 Q224 F225S218-A221 PolarHBondContact O-N 3.14Å; S218-A221 VanDerWaalsContact O-N 3.17Å; S218-A221 WeakPolarHBondContact OG-CB 3.21Å; S218-A221 PolarHBondContact OG-N 2.83Å; S218-A221 VanDerWaalsContact OG-N 3.08Å; A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 PolarHBondContact O-N 2.81Å; A221-Q224 WeakPolarHBondContact O-CB 3.36Å; A221-Q224 PolarHBondContact O-N 3.1Å; A221-Q224 VanDerWaalsContact O-N 3.12Å; A221-F225 HydrophobicContact CB-CE2 4.3Å; A221-F225 HydrophobicContact CB-CZ 4.16Å; A221-F225 WeakPolarHBondContact O-CD2 3.28Å; A221-F225 WeakPolarHBondContact O-CG 3.28Å; A221-F225 PolarHBondContact O-N 3.14Å
222M96.8Very high93.2Very high0 Ų058.4 Ų58.40%029%0.292CS..Hα-helixtrans-62.8-38.1177.4-67.7-172.2-83.700112.9S218 Y219 F225 A226 I244 F248 Y251S218-M222 PolarHBondContact O-N 2.82Å; Y219-M222 HydrophobicContact CD1-CE 3.72Å; Y219-M222 HydrophobicContact CE1-CE 4.13Å; Y219-M222 HydrophobicContact CG-CE 4.46Å; Y219-M222 PolarHBondContact O-N 2.95Å; M222-F225 PolarHBondContact O-N 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.48Å; M222-A226 PolarHBondContact O-N 3.11Å; M222-I244 HydrophobicContact CB-CD1 4.08Å; M222-I244 HydrophobicContact CB-CG1 4.31Å; M222-I244 HydrophobicContact SD-CG2 4.41Å; M222-F248 HydrophobicContact CB-CE2 4.28Å; M222-F248 HydrophobicContact CG-CD2 4.16Å; M222-F248 HydrophobicContact CG-CE2 3.58Å; M222-F248 HydrophobicContact CG-CZ 4.22Å; M222-F248 HydrophobicContact SD-CD2 3.61Å; M222-F248 HydrophobicContact SD-CE2 3.66Å; M222-F248 HydrophobicContact SD-CG 4.37Å; M222-F248 HydrophobicContact SD-CZ 4.45Å; M222-Y251 HydrophobicContact CE-CE2 3.71Å; M222-Y251 WeakPolarHBondContact CE-OH 3.33Å; M222-Y251 HydrophobicContact SD-CD2 4.31Å; M222-Y251 HydrophobicContact SD-CE2 3.6Å
223I97.3Very high93.9Very high0 Ų058.8 Ų58.80%029%0.287CS..Hα-helixtrans-65.6-39.9173.3-67.2159.4000110.6Y219 T220 A221 A226 I227 I240 I263 N266 L267 F273Y219-I223 WeakPolarHBondContact O-CB 3.42Å; Y219-I223 VanDerWaalsContact O-CD1 3.3Å; Y219-I223 WeakPolarHBondContact O-CD1 3.5Å; Y219-I223 WeakPolarHBondContact O-CG1 3.39Å; Y219-I223 PolarHBondContact O-N 3.39Å; T220-I223 PolarHBondContact O-N 2.98Å; A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 PolarHBondContact O-N 2.81Å; I223-A226 PolarHBondContact O-N 2.82Å; I223-I227 HydrophobicContact CG2-CD1 3.73Å; I223-I227 HydrophobicContact CG2-CG1 4.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.47Å; I223-I227 PolarHBondContact O-N 3.31Å; I223-I240 HydrophobicContact CG1-CG2 4.19Å; I223-I263 HydrophobicContact CD1-CD1 4.03Å; I223-I263 HydrophobicContact CD1-CG2 4.3Å; I223-I263 HydrophobicContact CG1-CD1 3.96Å; I223-I263 HydrophobicContact CG1-CG2 4.43Å; I223-N266 HydrophobicContact CD1-CB 3.86Å; I223-L267 HydrophobicContact CD1-CD2 4.27Å; I223-L267 HydrophobicContact CD1-CG 4.04Å; I223-L267 HydrophobicContact CG2-CD2 3.63Å; I223-F273 HydrophobicContact CB-CE1 4.14Å; I223-F273 HydrophobicContact CB-CE2 4.43Å; I223-F273 HydrophobicContact CB-CZ 3.81Å; I223-F273 HydrophobicContact CD1-CE2 4.35Å; I223-F273 HydrophobicContact CG2-CD1 3.89Å; I223-F273 HydrophobicContact CG2-CE1 3.39Å; I223-F273 HydrophobicContact CG2-CE2 4.1Å; I223-F273 HydrophobicContact CG2-CG 4.45Å; I223-F273 HydrophobicContact CG2-CZ 3.51Å
224Q96.6Very high94.2Very high21 Ų2151.5 Ų51.510%0.09825%0.253CS..Hα-helixtrans-61.6-49.1175.7-72175-8300111.4T220 A221 A226 I227 N228 M272 F273 I288T220-Q224 WeakPolarHBondContact O-CG 3.34Å; T220-Q224 PolarHBondContact O-N 2.79Å; A221-Q224 WeakPolarHBondContact O-CB 3.36Å; A221-Q224 PolarHBondContact O-N 3.1Å; A221-Q224 VanDerWaalsContact O-N 3.12Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.31Å; Q224-I227 PolarHBondContact O-N 3.4Å; Q224-N228 WeakPolarHBondContact O-CB 3.23Å; Q224-N228 PolarHBondContact O-N 2.94Å; Q224-N228 PolarHBondContact O-ND2 2.88Å; Q224-M272 HydrophobicContact CG-CE 4.04Å; Q224-M272 VanDerWaalsContact NE2-CE 3.35Å; Q224-F273 HydrophobicContact CG-CE1 4.01Å; Q224-F273 HydrophobicContact CG-CZ 4.11Å; Q224-I288 HydrophobicContact CB-CD1 4.18Å; Q224-I288 HydrophobicContact CG-CD1 4.08Å
225F96.1Very high94.5Very high5 Ų544.1 Ų44.12%0.02223%0.226CC..Hα-helixtrans-57.2-45.4176-53.3-33.3000111.4Y217 A221 M222 N228 S229 W243 F248 L296 L298 V301Y217-F225 HydrophobicContact CD1-CE2 4.21Å; Y217-F225 HydrophobicContact CD1-CZ 4.39Å; Y217-F225 HydrophobicContact CD2-CE2 4.15Å; Y217-F225 HydrophobicContact CE2-CE2 4.46Å; Y217-F225 HydrophobicContact CG-CE2 4.02Å; A221-F225 HydrophobicContact CB-CE2 4.3Å; A221-F225 HydrophobicContact CB-CZ 4.16Å; A221-F225 WeakPolarHBondContact O-CD2 3.28Å; A221-F225 WeakPolarHBondContact O-CG 3.28Å; A221-F225 PolarHBondContact O-N 3.14Å; M222-F225 PolarHBondContact O-N 3.29Å; F225-N228 PolarHBondContact O-N 2.79Å; F225-S229 WeakPolarHBondContact O-CB 3.5Å; F225-S229 PolarHBondContact O-N 3.08Å; F225-W243 HydrophobicContact CB-CH2 3.35Å; F225-W243 HydrophobicContact CB-CZ2 4Å; F225-W243 HydrophobicContact CB-CZ3 3.89Å; F225-W243 HydrophobicContact CD2-CH2 4.39Å; F225-W243 HydrophobicContact CG-CH2 4.35Å; F225-F248 HydrophobicContact CD2-CZ 4.46Å; F225-L296 HydrophobicContact CD1-CB 4.13Å; F225-L296 HydrophobicContact CE1-CB 4.07Å; F225-L298 HydrophobicContact CD2-CD1 3.9Å; F225-L298 HydrophobicContact CE2-CD1 4.03Å; F225-V301 HydrophobicContact CE1-CG2 3.78Å; F225-V301 HydrophobicContact CZ-CB 4.35Å; F225-V301 HydrophobicContact CZ-CG2 3.85Å
226A96.8Very high94.7Very high0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-59.4-50.2179.400000112.6M222 I223 Q224 S229 M235 W243M222-A226 WeakPolarHBondContact O-CB 3.48Å; M222-A226 PolarHBondContact O-N 3.11Å; I223-A226 PolarHBondContact O-N 2.82Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.31Å; A226-S229 PolarHBondContact O-OG 3.39Å; A226-M235 HydrophobicContact CB-SD 3.74Å; A226-W243 HydrophobicContact CB-CB 4.18Å; A226-W243 HydrophobicContact CB-CD2 3.61Å; A226-W243 HydrophobicContact CB-CE3 3.48Å; A226-W243 VanDerWaalsContact CB-CE3 3.48Å; A226-W243 HydrophobicContact CB-CG 3.9Å; A226-W243 HydrophobicContact CB-CZ3 4.17Å
227I96.2Very high94.9Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-67.8-38.3179.4-64.4170000111.1I223 Q224 R230 R233 M235 I240 F273 W286 I288I223-I227 HydrophobicContact CG2-CD1 3.73Å; I223-I227 HydrophobicContact CG2-CG1 4.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.47Å; I223-I227 PolarHBondContact O-N 3.31Å; Q224-I227 PolarHBondContact O-N 3.4Å; I227-R230 PolarHBondContact O-N 2.83Å; I227-R233 WeakPolarHBondContact CG2-O 3.29Å; I227-M235 HydrophobicContact CG1-CB 4.14Å; I227-I240 HydrophobicContact CD1-CD1 4.46Å; I227-I240 HydrophobicContact CG1-CD1 4.36Å; I227-F273 HydrophobicContact CD1-CD1 4.07Å; I227-F273 HydrophobicContact CD1-CE1 4.3Å; I227-W286 HydrophobicContact CD1-CB 4.1Å; I227-I288 HydrophobicContact CB-CD1 4.17Å; I227-I288 HydrophobicContact CB-CG1 4.27Å; I227-I288 HydrophobicContact CD1-CG1 4.13Å; I227-I288 HydrophobicContact CG2-CD1 4.17Å; I227-I288 HydrophobicContact CG2-CG1 4.01Å
228N95.1Very high95Very high6 Ų647.1 Ų47.13%0.03223%0.231CC..Hα-helixtrans-75.8-21.1-179.1-77.5-30000114.5Q224 F225 R230 R233 N293 L296 T297Q224-N228 WeakPolarHBondContact O-CB 3.23Å; Q224-N228 PolarHBondContact O-N 2.94Å; Q224-N228 PolarHBondContact O-ND2 2.88Å; F225-N228 PolarHBondContact O-N 2.79Å; N228-R230 PolarHBondContact O-N 3.33Å; N228-R230 VanDerWaalsContact O-N 3.16Å; N228-R233 PolarHBondContact OD1-NH1 3.41Å; N228-N293 PolarHBondContact ND2-OD1 3.35Å; N228-N293 PolarHBondContact OD1-ND2 3.38Å; N228-N293 PolarHBondContact OD1-OD1 3.11Å; N228-L296 WeakPolarHBondContact CB-O 3.18Å; N228-L296 PolarHBondContact ND2-N 2.85Å; N228-L296 PolarHBondContact ND2-O 3.02Å; N228-T297 HydrophobicContact CB-CG2 4.26Å
229S93.6Very high95Very high59 Ų5946.4 Ų46.441%0.41322%0.22SC..THydrogen-bonded Turntrans-59.2-22.3172.474.40000113.3F225 A226 W243F225-S229 WeakPolarHBondContact O-CB 3.5Å; F225-S229 PolarHBondContact O-N 3.08Å; A226-S229 PolarHBondContact O-OG 3.39Å; S229-W243 PolarHBondContact OG-NE1 3.17Å
230R92.6Very high95Very high80 Ų8044.1 Ų44.130%0.30221%0.211SC..SBendtrans-99.2135.8-176.7-63.9-171.3157.4-167.5-4112.8I227 N228 N232 R233 M235 E239I227-R230 PolarHBondContact O-N 2.83Å; N228-R230 PolarHBondContact O-N 3.33Å; N228-R230 VanDerWaalsContact O-N 3.16Å; R230-N232 WeakPolarHBondContact CB-OD1 3.42Å; R230-N232 PolarHBondContact O-N 3.37Å; R230-N232 VanDerWaalsContact O-N 3.12Å; R230-R233 PolarHBondContact O-N 2.99Å; R230-M235 HydrophobicContact CG-CE 4.31Å; R230-E239 IonicContact CZ-OE1 2.62Å; R230-E239 IonicContact CZ-OE2 2.69Å; R230-E239 IonicContact NH1-OE1 3.93Å; R230-E239 PolarHBondContact NH1-OE1 3.3Å; R230-E239 IonicContact NH1-OE2 2.81Å; R230-E239 PolarHBondContact NH1-OE2 2.89Å; R230-E239 VanDerWaalsContact NH1-OE2 3.11Å; R230-E239 IonicContact NH2-OE1 3.19Å; R230-E239 PolarHBondContact NH2-OE1 2.9Å; R230-E239 IonicContact NH2-OE2 3.86Å
231K88.5Confident95Very high219 Ų21944.8 Ų44.895%0.95221%0.212SC*.THydrogen-bonded Turntrans-56.7-27.9175.8-62-175.7179.7-177.50113.9
232N87.5Confident95Very high99 Ų9946.4 Ų46.453%0.52922%0.22SC..THydrogen-bonded Turntrans-86.6-0.8176.575.9-33.4000114.2R230 G234R230-N232 WeakPolarHBondContact CB-OD1 3.42Å; R230-N232 PolarHBondContact O-N 3.37Å; R230-N232 VanDerWaalsContact O-N 3.12Å; N232-G234 PolarHBondContact ND2-O 3.09Å; N232-G234 PolarHBondContact O-N 3Å; N232-G234 PolarHBondContact OD1-N 3.48Å; N232-G234 PolarHBondContact OD1-O 2.7Å; N232-G234 VanDerWaalsContact OD1-O 3.13Å
233R90.1Very high95Very high94 Ų9447.3 Ų47.336%0.35522%0.224SC..SBendtrans48.430.9-175.5-56-67.4-178.4161.3-5.2114I227 N228 R230I227-R233 WeakPolarHBondContact CG2-O 3.29Å; N228-R233 PolarHBondContact OD1-NH1 3.41Å; R230-R233 PolarHBondContact O-N 2.99Å
234G93.6Very high95Very high1 Ų147.3 Ų47.31%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-146.6119.9-171.100000113.1N232 W286N232-G234 PolarHBondContact ND2-O 3.09Å; N232-G234 PolarHBondContact O-N 3Å; N232-G234 PolarHBondContact OD1-N 3.48Å; N232-G234 PolarHBondContact OD1-O 2.7Å; N232-G234 VanDerWaalsContact OD1-O 3.13Å; G234-W286 WeakPolarHBondContact CA-O 3.46Å
235M95.9Very high94.9Very high5 Ų548 Ų483%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-133.5135.8-171.7-164.1178.5-125.300111.6A226 I227 R230 E239 I240 W243 W286A226-M235 HydrophobicContact CB-SD 3.74Å; I227-M235 HydrophobicContact CG1-CB 4.14Å; R230-M235 HydrophobicContact CG-CE 4.31Å; M235-E239 HydrophobicContact CE-CB 4.18Å; M235-E239 HydrophobicContact CG-CB 3.52Å; M235-E239 HydrophobicContact SD-CB 4.26Å; M235-I240 HydrophobicContact CB-CG1 4.01Å; M235-I240 HydrophobicContact CG-CG1 3.78Å; M235-I240 HydrophobicContact SD-CB 4.29Å; M235-I240 HydrophobicContact SD-CG1 3.59Å; M235-I240 VanDerWaalsContact SD-CG1 3.59Å; M235-W243 HydrophobicContact CE-CB 3.74Å; M235-W243 HydrophobicContact CE-CG 3.95Å; M235-W243 HydrophobicContact SD-CB 4.35Å; M235-W286 PolarHBondContact N-O 3.48Å; M235-W286 PolarHBondContact O-N 3.3Å
236T96.9Very high94.9Very high37 Ų3752.1 Ų52.123%0.22725%0.249CC..  trans-75.8157.6175.670.50000111.1K238 E239 I240T236-K238 PolarHBondContact O-N 3.07Å; T236-K238 VanDerWaalsContact O-N 3.14Å; T236-E239 WeakPolarHBondContact CA-OE2 3.46Å; T236-E239 VanDerWaalsContact CB-OE2 3.23Å; T236-E239 WeakPolarHBondContact CB-OE2 3.37Å; T236-E239 VanDerWaalsContact CG2-OE2 3.28Å; T236-E239 WeakPolarHBondContact CG2-OE2 3.15Å; T236-E239 PolarHBondContact N-OE2 3.41Å; T236-E239 PolarHBondContact O-N 2.83Å; T236-E239 WeakPolarHBondContact OG1-CG 3.22Å; T236-E239 PolarHBondContact OG1-OE2 3.17Å; T236-I240 PolarHBondContact O-N 2.8Å
237L96.9Very high94.7Very high52 Ų5256 Ų5627%0.27227%0.267SS..Hα-helixtrans-55.4-33.3-180179.762.4000113.6Y241 I263 R264 L267L237-Y241 HydrophobicContact CD1-CE1 3.82Å; L237-Y241 HydrophobicContact CD1-CE2 4.35Å; L237-Y241 HydrophobicContact CG-CE1 4.31Å; L237-Y241 HydrophobicContact CG-CE2 3.94Å; L237-Y241 WeakPolarHBondContact O-CD2 3.45Å; L237-Y241 PolarHBondContact O-N 3.3Å; L237-I263 HydrophobicContact CD1-CG2 4.16Å; L237-R264 HydrophobicContact CD1-CG 4.05Å; L237-R264 HydrophobicContact CD2-CG 3.93Å; L237-L267 HydrophobicContact CD1-CD1 3.6Å
238K97Very high94.6Very high159 Ų15956.9 Ų56.969%0.69127%0.271SS*.Hα-helixtrans-66.2-43.8175.6-175.1-171.1174-168.90111.1T236 I240 Y241 T242T236-K238 PolarHBondContact O-N 3.07Å; T236-K238 VanDerWaalsContact O-N 3.14Å; K238-I240 VanDerWaalsContact C-N 3.34Å; K238-Y241 WeakPolarHBondContact O-CB 3.45Å; K238-Y241 PolarHBondContact O-N 2.92Å; K238-T242 PolarHBondContact O-N 2.91Å; K238-T242 VanDerWaalsContact O-N 3.11Å
239E96.9Very high94.5Very high53 Ų5358.6 Ų58.625%0.24828%0.282CS..Hα-helixtrans-72.7-29-176.4-63.5162.9126.200111.9R230 M235 T236 T242 W243R230-E239 IonicContact CZ-OE1 2.62Å; R230-E239 IonicContact CZ-OE2 2.69Å; R230-E239 IonicContact NH1-OE1 3.93Å; R230-E239 PolarHBondContact NH1-OE1 3.3Å; R230-E239 IonicContact NH1-OE2 2.81Å; R230-E239 PolarHBondContact NH1-OE2 2.89Å; R230-E239 VanDerWaalsContact NH1-OE2 3.11Å; R230-E239 IonicContact NH2-OE1 3.19Å; R230-E239 PolarHBondContact NH2-OE1 2.9Å; R230-E239 IonicContact NH2-OE2 3.86Å; M235-E239 HydrophobicContact CE-CB 4.18Å; M235-E239 HydrophobicContact CG-CB 3.52Å; M235-E239 HydrophobicContact SD-CB 4.26Å; T236-E239 WeakPolarHBondContact CA-OE2 3.46Å; T236-E239 VanDerWaalsContact CB-OE2 3.23Å; T236-E239 WeakPolarHBondContact CB-OE2 3.37Å; T236-E239 VanDerWaalsContact CG2-OE2 3.28Å; T236-E239 WeakPolarHBondContact CG2-OE2 3.15Å; T236-E239 PolarHBondContact N-OE2 3.41Å; T236-E239 PolarHBondContact O-N 2.83Å; T236-E239 WeakPolarHBondContact OG1-CG 3.22Å; T236-E239 PolarHBondContact OG1-OE2 3.17Å; E239-T242 WeakPolarHBondContact CA-OG1 3.3Å; E239-T242 PolarHBondContact O-OG1 3.16Å; E239-W243 VanDerWaalsContact O-CB 3.24Å; E239-W243 WeakPolarHBondContact O-CB 3.5Å; E239-W243 PolarHBondContact O-N 3.3Å
240I97.4Very high94.5Very high0 Ų058.2 Ų58.20%027%0.272CS..Hα-helixtrans-64.2-42.1169.2-64.2170.2000110.4I223 I227 M235 T236 K238 I244 I263 L267 W286I223-I240 HydrophobicContact CG1-CG2 4.19Å; I227-I240 HydrophobicContact CD1-CD1 4.46Å; I227-I240 HydrophobicContact CG1-CD1 4.36Å; M235-I240 HydrophobicContact CB-CG1 4.01Å; M235-I240 HydrophobicContact CG-CG1 3.78Å; M235-I240 HydrophobicContact SD-CB 4.29Å; M235-I240 HydrophobicContact SD-CG1 3.59Å; M235-I240 VanDerWaalsContact SD-CG1 3.59Å; T236-I240 PolarHBondContact O-N 2.8Å; K238-I240 VanDerWaalsContact C-N 3.34Å; I240-I244 HydrophobicContact CG2-CD1 4.02Å; I240-I244 WeakPolarHBondContact O-CG1 3.44Å; I240-I244 PolarHBondContact O-N 3.37Å; I240-I244 VanDerWaalsContact O-N 3.17Å; I240-I263 HydrophobicContact CG2-CG2 4.03Å; I240-L267 HydrophobicContact CD1-CD1 4.16Å; I240-L267 HydrophobicContact CD1-CD2 4.25Å; I240-W286 HydrophobicContact CD1-CB 4.13Å; I240-W286 HydrophobicContact CD1-CG 4.34Å
241Y97.2Very high94.6Very high33 Ų3354.6 Ų54.613%0.12926%0.259CS..Hα-helixtrans-61.9-50.2175.4-57.8-40000111.4L237 K238 W243 I244 E245 W259 K260 I263 R264L237-Y241 HydrophobicContact CD1-CE1 3.82Å; L237-Y241 HydrophobicContact CD1-CE2 4.35Å; L237-Y241 HydrophobicContact CG-CE1 4.31Å; L237-Y241 HydrophobicContact CG-CE2 3.94Å; L237-Y241 WeakPolarHBondContact O-CD2 3.45Å; L237-Y241 PolarHBondContact O-N 3.3Å; K238-Y241 WeakPolarHBondContact O-CB 3.45Å; K238-Y241 PolarHBondContact O-N 2.92Å; Y241-W243 PolarHBondContact O-N 3.5Å; Y241-I244 PolarHBondContact O-N 3.23Å; Y241-E245 VanDerWaalsContact O-CG 3.29Å; Y241-E245 WeakPolarHBondContact O-CG 3.37Å; Y241-E245 PolarHBondContact O-N 3.11Å; Y241-W259 HydrophobicContact CD1-CH2 4.36Å; Y241-W259 HydrophobicContact CD1-CZ3 4.12Å; Y241-K260 HydrophobicContact CD1-CB 4.2Å; Y241-K260 HydrophobicContact CD1-CD 4.29Å; Y241-K260 HydrophobicContact CD1-CG 3.9Å; Y241-K260 HydrophobicContact CD2-CD 4.37Å; Y241-K260 HydrophobicContact CE1-CB 3.71Å; Y241-K260 HydrophobicContact CE1-CD 4.48Å; Y241-K260 HydrophobicContact CE1-CG 3.96Å; Y241-K260 HydrophobicContact CG-CD 4.24Å; Y241-K260 HydrophobicContact CG-CG 4.35Å; Y241-K260 PolarHBondContact OH-O 3.49Å; Y241-I263 HydrophobicContact CD1-CG2 4.26Å; Y241-I263 HydrophobicContact CE1-CB 4.1Å; Y241-I263 HydrophobicContact CE1-CG2 3.94Å; Y241-R264 WeakPolarHBondContact OH-CG 3.29Å; Y241-R264 PolarHBondContact OH-NH1 3.16Å
242T97.1Very high94.8Very high52 Ų5251 Ų5132%0.31924%0.239SC..Hα-helixtrans-64.4-43.1-178.2570000111.3K238 E239 I244 E245 D246K238-T242 PolarHBondContact O-N 2.91Å; K238-T242 VanDerWaalsContact O-N 3.11Å; E239-T242 WeakPolarHBondContact CA-OG1 3.3Å; E239-T242 PolarHBondContact O-OG1 3.16Å; T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 PolarHBondContact O-N 3.31Å; T242-E245 CarbonylContact O-C 3.6Å; T242-E245 WeakPolarHBondContact O-CA 3.29Å; T242-E245 WeakPolarHBondContact O-CB 3.24Å; T242-E245 PolarHBondContact O-N 2.77Å; T242-D246 WeakPolarHBondContact O-CB 3.33Å; T242-D246 PolarHBondContact O-N 2.97Å; T242-D246 VanDerWaalsContact O-OD2 3.04Å
243W96.7Very high94.7Very high19 Ų1952.5 Ų52.57%0.07224%0.243CC..Hα-helixtrans-57.3-41.6177.4-170.997.3000111.9F225 A226 S229 M235 E239 Y241 D246 H247 F248 L298F225-W243 HydrophobicContact CB-CH2 3.35Å; F225-W243 HydrophobicContact CB-CZ2 4Å; F225-W243 HydrophobicContact CB-CZ3 3.89Å; F225-W243 HydrophobicContact CD2-CH2 4.39Å; F225-W243 HydrophobicContact CG-CH2 4.35Å; A226-W243 HydrophobicContact CB-CB 4.18Å; A226-W243 HydrophobicContact CB-CD2 3.61Å; A226-W243 HydrophobicContact CB-CE3 3.48Å; A226-W243 VanDerWaalsContact CB-CE3 3.48Å; A226-W243 HydrophobicContact CB-CG 3.9Å; A226-W243 HydrophobicContact CB-CZ3 4.17Å; S229-W243 PolarHBondContact OG-NE1 3.17Å; M235-W243 HydrophobicContact CE-CB 3.74Å; M235-W243 HydrophobicContact CE-CG 3.95Å; M235-W243 HydrophobicContact SD-CB 4.35Å; E239-W243 VanDerWaalsContact O-CB 3.24Å; E239-W243 WeakPolarHBondContact O-CB 3.5Å; E239-W243 PolarHBondContact O-N 3.3Å; Y241-W243 PolarHBondContact O-N 3.5Å; W243-D246 PolarHBondContact O-N 3.35Å; W243-H247 AromaticContact CD1-CE1 3.39Å; W243-H247 AromaticContact CD1-ND1 3.76Å; W243-H247 AromaticContact CD2-CE1 3.84Å; W243-H247 AromaticContact CD2-ND1 3.5Å; W243-H247 AromaticContact CE2-CD2 3.89Å; W243-H247 AromaticContact CE2-CE1 3.38Å; W243-H247 AromaticContact CE2-CG 3.76Å; W243-H247 AromaticContact CE2-ND1 3.41Å; W243-H247 AromaticContact CE2-NE2 3.65Å; W243-H247 HydrophobicContact CE3-CB 4.47Å; W243-H247 AromaticContact CG-CE1 3.84Å; W243-H247 AromaticContact CG-ND1 3.73Å; W243-H247 HydrophobicContact CH2-CB 4.14Å; W243-H247 AromaticContact CH2-CG 3.96Å; W243-H247 HydrophobicContact CZ2-CB 4.39Å; W243-H247 AromaticContact CZ2-CD2 3.64Å; W243-H247 AromaticContact CZ2-CE1 3.94Å; W243-H247 AromaticContact CZ2-CG 3.71Å; W243-H247 AromaticContact CZ2-ND1 3.88Å; W243-H247 AromaticContact CZ2-NE2 3.78Å; W243-H247 HydrophobicContact CZ3-CB 4.22Å; W243-H247 AromaticContact NE1-CE1 3.09Å; W243-H247 PolarHBondContact NE1-CE1 3.37Å; W243-H247 AromaticContact NE1-ND1 3.59Å; W243-H247 AromaticContact NE1-NE2 3.48Å; W243-H247 PolarHBondContact NE1-NE2 3.04Å; W243-H247 PolarHBondContact O-N 2.85Å; W243-H247 PolarHBondContact O-ND1 3.02Å; W243-F248 HydrophobicContact CH2-CE2 4.41Å; W243-F248 AromaticContact CZ3-CE2 3.92Å; W243-F248 HydrophobicContact CZ3-CE2 3.92Å; W243-L298 HydrophobicContact CH2-CB 4.2Å; W243-L298 HydrophobicContact CH2-CD2 4.16Å; W243-L298 HydrophobicContact CZ2-CB 4.35Å; W243-L298 HydrophobicContact CZ2-CD2 4.47Å
244I96.5Very high94.8Very high0 Ų051.9 Ų51.90%025%0.249CC..Hα-helixtrans-68.5-39.7175.7-67.2174.5000111.4M222 I240 Y241 T242 D246 F248 Y251 W259 I263M222-I244 HydrophobicContact CB-CD1 4.08Å; M222-I244 HydrophobicContact CB-CG1 4.31Å; M222-I244 HydrophobicContact SD-CG2 4.41Å; I240-I244 HydrophobicContact CG2-CD1 4.02Å; I240-I244 WeakPolarHBondContact O-CG1 3.44Å; I240-I244 PolarHBondContact O-N 3.37Å; I240-I244 VanDerWaalsContact O-N 3.17Å; Y241-I244 PolarHBondContact O-N 3.23Å; T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 PolarHBondContact O-N 3.31Å; I244-D246 VanDerWaalsContact C-N 3.25Å; I244-D246 PolarHBondContact O-N 2.93Å; I244-F248 HydrophobicContact CG2-CD2 4.39Å; I244-F248 WeakPolarHBondContact O-CA 3.48Å; I244-F248 WeakPolarHBondContact O-CB 3.47Å; I244-F248 PolarHBondContact O-N 2.79Å; I244-Y251 HydrophobicContact CG2-CD2 3.62Å; I244-Y251 HydrophobicContact CG2-CE2 4.36Å; I244-Y251 HydrophobicContact CG2-CG 3.82Å; I244-W259 HydrophobicContact CB-CH2 4.33Å; I244-W259 HydrophobicContact CB-CZ3 4.31Å; I244-W259 HydrophobicContact CG2-CH2 4.12Å; I244-W259 HydrophobicContact CG2-CZ3 3.96Å; I244-I263 HydrophobicContact CD1-CD1 3.49Å; I244-I263 VanDerWaalsContact CD1-CD1 3.49Å; I244-I263 HydrophobicContact CD1-CG1 4.34Å
245E95.3Very high94.6Very high36 Ų3652.5 Ų52.517%0.16826%0.255CS..Hα-helixtrans-66.4-23.9174.8-70.4165.3161.900113.9Y241 T242 R252 W259 K260Y241-E245 VanDerWaalsContact O-CG 3.29Å; Y241-E245 WeakPolarHBondContact O-CG 3.37Å; Y241-E245 PolarHBondContact O-N 3.11Å; T242-E245 CarbonylContact O-C 3.6Å; T242-E245 WeakPolarHBondContact O-CA 3.29Å; T242-E245 WeakPolarHBondContact O-CB 3.24Å; T242-E245 PolarHBondContact O-N 2.77Å; E245-R252 HydrophobicContact CB-CB 4.3Å; E245-R252 PolarHBondContact O-NE 3Å; E245-R252 VanDerWaalsContact O-NE 3.13Å; E245-W259 HydrophobicContact CG-CH2 3.89Å; E245-W259 HydrophobicContact CG-CZ2 3.65Å; E245-W259 WeakPolarHBondContact OE1-CZ2 3.41Å; E245-K260 WeakPolarHBondContact OE1-CE 3.47Å; E245-K260 IonicContact OE1-NZ 3.95Å; E245-K260 PolarHBondContact OE1-NZ 3.5Å
246D94.8Very high94.3Very high90 Ų9061 Ų6148%0.48129%0.292SS..Hα-helixtrans-91.7-36.1-177.4-63.6-26.2000112.2T242 W243 I244 R252T242-D246 WeakPolarHBondContact O-CB 3.33Å; T242-D246 PolarHBondContact O-N 2.97Å; T242-D246 VanDerWaalsContact O-OD2 3.04Å; W243-D246 PolarHBondContact O-N 3.35Å; I244-D246 VanDerWaalsContact C-N 3.25Å; I244-D246 PolarHBondContact O-N 2.93Å; D246-R252 IonicContact OD1-CZ 2.71Å; D246-R252 IonicContact OD1-NH2 2.7Å; D246-R252 PolarHBondContact OD1-NH2 2.83Å
247H93.5Very high94Very high83 Ų8364.9 Ų64.938%0.38432%0.317SS..Hα-helixtrans-93.3-18.2-179.7-62.370.7000113.2W243 L298W243-H247 AromaticContact CD1-CE1 3.39Å; W243-H247 AromaticContact CD1-ND1 3.76Å; W243-H247 AromaticContact CD2-CE1 3.84Å; W243-H247 AromaticContact CD2-ND1 3.5Å; W243-H247 AromaticContact CE2-CD2 3.89Å; W243-H247 AromaticContact CE2-CE1 3.38Å; W243-H247 AromaticContact CE2-CG 3.76Å; W243-H247 AromaticContact CE2-ND1 3.41Å; W243-H247 AromaticContact CE2-NE2 3.65Å; W243-H247 HydrophobicContact CE3-CB 4.47Å; W243-H247 AromaticContact CG-CE1 3.84Å; W243-H247 AromaticContact CG-ND1 3.73Å; W243-H247 HydrophobicContact CH2-CB 4.14Å; W243-H247 AromaticContact CH2-CG 3.96Å; W243-H247 HydrophobicContact CZ2-CB 4.39Å; W243-H247 AromaticContact CZ2-CD2 3.64Å; W243-H247 AromaticContact CZ2-CE1 3.94Å; W243-H247 AromaticContact CZ2-CG 3.71Å; W243-H247 AromaticContact CZ2-ND1 3.88Å; W243-H247 AromaticContact CZ2-NE2 3.78Å; W243-H247 HydrophobicContact CZ3-CB 4.22Å; W243-H247 AromaticContact NE1-CE1 3.09Å; W243-H247 PolarHBondContact NE1-CE1 3.37Å; W243-H247 AromaticContact NE1-ND1 3.59Å; W243-H247 AromaticContact NE1-NE2 3.48Å; W243-H247 PolarHBondContact NE1-NE2 3.04Å; W243-H247 PolarHBondContact O-N 2.85Å; W243-H247 PolarHBondContact O-ND1 3.02Å; H247-L298 HydrophobicContact CB-CD2 3.99Å
248F93.9Very high93.8Very high17 Ų1764.7 Ų64.78%0.07533%0.328CS..  trans-135.384.3-178.5-58.9-61000111.1P215 Y217 M222 F225 W243 I244 Y250 Y251 L298P215-F248 HydrophobicContact CB-CD1 3.77Å; P215-F248 HydrophobicContact CB-CE1 3.95Å; P215-F248 HydrophobicContact CB-CG 4.34Å; P215-F248 HydrophobicContact CG-CB 3.73Å; P215-F248 HydrophobicContact CG-CD1 3.36Å; P215-F248 HydrophobicContact CG-CE1 4.08Å; P215-F248 HydrophobicContact CG-CG 3.63Å; Y217-F248 AromaticContact CD2-CE1 3.69Å; Y217-F248 HydrophobicContact CD2-CE1 3.69Å; Y217-F248 AromaticContact CD2-CZ 3.56Å; Y217-F248 HydrophobicContact CD2-CZ 3.56Å; Y217-F248 AromaticContact CE2-CE1 3.78Å; Y217-F248 HydrophobicContact CE2-CE1 3.78Å; Y217-F248 AromaticContact CE2-CZ 3.91Å; Y217-F248 HydrophobicContact CE2-CZ 3.91Å; M222-F248 HydrophobicContact CB-CE2 4.28Å; M222-F248 HydrophobicContact CG-CD2 4.16Å; M222-F248 HydrophobicContact CG-CE2 3.58Å; M222-F248 HydrophobicContact CG-CZ 4.22Å; M222-F248 HydrophobicContact SD-CD2 3.61Å; M222-F248 HydrophobicContact SD-CE2 3.66Å; M222-F248 HydrophobicContact SD-CG 4.37Å; M222-F248 HydrophobicContact SD-CZ 4.45Å; F225-F248 HydrophobicContact CD2-CZ 4.46Å; W243-F248 HydrophobicContact CH2-CE2 4.41Å; W243-F248 AromaticContact CZ3-CE2 3.92Å; W243-F248 HydrophobicContact CZ3-CE2 3.92Å; I244-F248 HydrophobicContact CG2-CD2 4.39Å; I244-F248 WeakPolarHBondContact O-CA 3.48Å; I244-F248 WeakPolarHBondContact O-CB 3.47Å; I244-F248 PolarHBondContact O-N 2.79Å; F248-Y250 PolarHBondContact O-N 3.1Å; F248-Y251 HydrophobicContact CB-CD2 3.82Å; F248-Y251 HydrophobicContact CB-CE2 4.41Å; F248-Y251 PolarHBondContact O-N 3.33Å; F248-L298 HydrophobicContact CE1-CD1 4.16Å; F248-L298 HydrophobicContact CZ-CD1 3.66Å; F248-L298 HydrophobicContact CZ-CD2 4.46Å
249P92.4Very high93.8Very high43 Ų4357.7 Ų57.728%0.27930%0.297SS..THydrogen-bonded Turntrans-52.1-29.7-173.9-30.837.1000115.4L212 Y251 R252 E253L212-P249 HydrophobicContact CD2-CB 4.12Å; P249-Y251 PolarHBondContact O-N 2.91Å; P249-Y251 VanDerWaalsContact O-N 3.12Å; P249-R252 WeakPolarHBondContact O-CB 3.43Å; P249-R252 PolarHBondContact O-N 3.25Å; P249-E253 PolarHBondContact O-N 3.07Å
250Y94Very high93.8Very high51 Ų5158.2 Ų58.220%0.230%0.298CS..Hα-helixtrans-44.2-42.3169172.9-100.8000113.6L212 Q213 R214 F248 R252 V254 A255L212-Y250 WeakPolarHBondContact O-CD2 3.43Å; Q213-Y250 WeakPolarHBondContact O-CB 3.32Å; R214-Y250 HydrophobicContact CB-CD1 4.19Å; R214-Y250 HydrophobicContact CB-CD2 4.31Å; R214-Y250 HydrophobicContact CB-CE1 3.85Å; R214-Y250 HydrophobicContact CB-CE2 3.99Å; R214-Y250 HydrophobicContact CB-CG 4.41Å; R214-Y250 HydrophobicContact CG-CD1 4.24Å; R214-Y250 HydrophobicContact CG-CE1 3.77Å; F248-Y250 PolarHBondContact O-N 3.1Å; Y250-R252 VanDerWaalsContact C-N 3.33Å; Y250-R252 PolarHBondContact O-N 3.44Å; Y250-V254 HydrophobicContact CD2-CB 3.68Å; Y250-V254 HydrophobicContact CD2-CG1 3.88Å; Y250-V254 HydrophobicContact CD2-CG2 4.39Å; Y250-V254 HydrophobicContact CE2-CB 3.93Å; Y250-V254 HydrophobicContact CE2-CG1 3.69Å; Y250-V254 PolarHBondContact O-N 3.41Å; Y250-A255 HydrophobicContact CD1-CB 4.11Å; Y250-A255 HydrophobicContact CE1-CB 3.75Å; Y250-A255 WeakPolarHBondContact O-CB 3.43Å; Y250-A255 PolarHBondContact O-N 3.36Å
251Y94.2Very high93.8Very high4 Ų462.7 Ų62.72%0.01632%0.322CS..Hα-helixtrans-78-15.1-178.2-71.2-70.2000114.5P215 Y219 M222 I244 F248 P249 A255 W259P215-Y251 HydrophobicContact CG-CE2 4.06Å; Y219-Y251 AromaticContact CE1-CE1 3.81Å; Y219-Y251 HydrophobicContact CE1-CE1 3.81Å; Y219-Y251 AromaticContact CE1-CZ 4Å; M222-Y251 HydrophobicContact CE-CE2 3.71Å; M222-Y251 WeakPolarHBondContact CE-OH 3.33Å; M222-Y251 HydrophobicContact SD-CD2 4.31Å; M222-Y251 HydrophobicContact SD-CE2 3.6Å; I244-Y251 HydrophobicContact CG2-CD2 3.62Å; I244-Y251 HydrophobicContact CG2-CE2 4.36Å; I244-Y251 HydrophobicContact CG2-CG 3.82Å; F248-Y251 HydrophobicContact CB-CD2 3.82Å; F248-Y251 HydrophobicContact CB-CE2 4.41Å; F248-Y251 PolarHBondContact O-N 3.33Å; P249-Y251 PolarHBondContact O-N 2.91Å; P249-Y251 VanDerWaalsContact O-N 3.12Å; Y251-A255 HydrophobicContact CD1-CB 3.63Å; Y251-A255 HydrophobicContact CE1-CB 4.2Å; Y251-A255 HydrophobicContact CG-CB 4.4Å; Y251-W259 HydrophobicContact CD1-CB 4.03Å; Y251-W259 AromaticContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CE3 4.15Å; Y251-W259 AromaticContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CE1-CB 4.15Å; Y251-W259 HydrophobicContact CE1-CG 4.34Å; Y251-W259 HydrophobicContact CG-CD2 4.41Å; Y251-W259 WeakPolarHBondContact O-CZ2 3.24Å; Y251-W259 PolarHBondContact O-NE1 3.26Å
252R92.3Very high93.8Very high143 Ų14362.9 Ų62.954%0.5433%0.329SS..Hα-helixtrans-83.8-42.4174.5-173.5-174.1-73.6-168.2-7.2111.8E245 D246 P249 Y250E245-R252 HydrophobicContact CB-CB 4.3Å; E245-R252 PolarHBondContact O-NE 3Å; E245-R252 VanDerWaalsContact O-NE 3.13Å; D246-R252 IonicContact OD1-CZ 2.71Å; D246-R252 IonicContact OD1-NH2 2.7Å; D246-R252 PolarHBondContact OD1-NH2 2.83Å; P249-R252 WeakPolarHBondContact O-CB 3.43Å; P249-R252 PolarHBondContact O-N 3.25Å; Y250-R252 VanDerWaalsContact C-N 3.33Å; Y250-R252 PolarHBondContact O-N 3.44Å
253E87.1Confident93.8Very high130 Ų13060.4 Ų60.461%0.60731%0.313SS*.Hα-helixtrans-115.1-38.6-165.1-71.4163.4-148.400114.4P249P249-E253 PolarHBondContact O-N 3.07Å
254V90.6Very high93.9Very high81 Ų8164.3 Ų64.349%0.49133%0.328SS..THydrogen-bonded Turntrans-103.6-32.9-169.4-174.20000112.5L212 Y250 K256L212-V254 HydrophobicContact CB-CG2 4.45Å; L212-V254 HydrophobicContact CD2-CG2 4.4Å; Y250-V254 HydrophobicContact CD2-CB 3.68Å; Y250-V254 HydrophobicContact CD2-CG1 3.88Å; Y250-V254 HydrophobicContact CD2-CG2 4.39Å; Y250-V254 HydrophobicContact CE2-CB 3.93Å; Y250-V254 HydrophobicContact CE2-CG1 3.69Å; Y250-V254 PolarHBondContact O-N 3.41Å; V254-K256 PolarHBondContact O-N 3.39Å
255A90.2Very high93.9Very high15 Ų1569.4 Ų69.412%0.12435%0.352CS..SBendtrans-74.1127.3-17300000113.1Y250 Y251 W259Y250-A255 HydrophobicContact CD1-CB 4.11Å; Y250-A255 HydrophobicContact CE1-CB 3.75Å; Y250-A255 WeakPolarHBondContact O-CB 3.43Å; Y250-A255 PolarHBondContact O-N 3.36Å; Y251-A255 HydrophobicContact CD1-CB 3.63Å; Y251-A255 HydrophobicContact CE1-CB 4.2Å; Y251-A255 HydrophobicContact CG-CB 4.4Å; A255-W259 HydrophobicContact CB-CG 4.25Å
256K89.3Confident94.1Very high184 Ų18468.8 Ų68.880%0.835%0.349SS*.  trans-50.6135.8173.4-62.8179.5-178.4177.60110.6V254 G258 W259V254-K256 PolarHBondContact O-N 3.39Å; K256-G258 PolarHBondContact O-N 2.84Å; K256-W259 PolarHBondContact O-N 3.05Å; K256-W259 VanDerWaalsContact O-N 3.07Å
257P90.5Very high94.2Very high117 Ų11764.6 Ų64.676%0.7633%0.327SS*.THydrogen-bonded Turntrans-54.1-15.7-173.9-30.935.9000117W259P257-W259 PolarHBondContact O-N 2.95Å
258G93.9Very high94.4Very high48 Ų4865.2 Ų65.250%0.49534%0.341SS..THydrogen-bonded Turntrans-58.9-20.3171.800000115.1K256 K260 N261 S262K256-G258 PolarHBondContact O-N 2.84Å; G258-K260 PolarHBondContact O-N 3.27Å; G258-N261 WeakPolarHBondContact O-CA 3.47Å; G258-N261 WeakPolarHBondContact O-CB 3.39Å; G258-N261 PolarHBondContact O-N 2.77Å; G258-S262 PolarHBondContact O-N 3.25Å
259W95.9Very high94.5Very high12 Ų1269 Ų695%0.04536%0.362CS..Hα-helixtrans-57.9-33.9179.675.8-105.1000112.9Y219 Y241 I244 E245 Y251 A255 K256 P257 N261 S262 I263Y219-W259 HydrophobicContact CE1-CB 4.46Å; Y241-W259 HydrophobicContact CD1-CH2 4.36Å; Y241-W259 HydrophobicContact CD1-CZ3 4.12Å; I244-W259 HydrophobicContact CB-CH2 4.33Å; I244-W259 HydrophobicContact CB-CZ3 4.31Å; I244-W259 HydrophobicContact CG2-CH2 4.12Å; I244-W259 HydrophobicContact CG2-CZ3 3.96Å; E245-W259 HydrophobicContact CG-CH2 3.89Å; E245-W259 HydrophobicContact CG-CZ2 3.65Å; E245-W259 WeakPolarHBondContact OE1-CZ2 3.41Å; Y251-W259 HydrophobicContact CD1-CB 4.03Å; Y251-W259 AromaticContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CD2 3.76Å; Y251-W259 HydrophobicContact CD1-CE3 4.15Å; Y251-W259 AromaticContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CD1-CG 3.73Å; Y251-W259 HydrophobicContact CE1-CB 4.15Å; Y251-W259 HydrophobicContact CE1-CG 4.34Å; Y251-W259 HydrophobicContact CG-CD2 4.41Å; Y251-W259 WeakPolarHBondContact O-CZ2 3.24Å; Y251-W259 PolarHBondContact O-NE1 3.26Å; A255-W259 HydrophobicContact CB-CG 4.25Å; K256-W259 PolarHBondContact O-N 3.05Å; K256-W259 VanDerWaalsContact O-N 3.07Å; P257-W259 PolarHBondContact O-N 2.95Å; W259-N261 PolarHBondContact O-N 3.05Å; W259-S262 WeakPolarHBondContact O-CA 3.49Å; W259-S262 VanDerWaalsContact O-CB 3.31Å; W259-S262 WeakPolarHBondContact O-CB 3.34Å; W259-S262 PolarHBondContact O-N 2.83Å; W259-I263 HydrophobicContact CE3-CG1 3.78Å; W259-I263 HydrophobicContact CZ3-CG1 3.86Å; W259-I263 PolarHBondContact O-N 2.99Å
260K96.9Very high94.7Very high65 Ų6570.1 Ų70.128%0.28336%0.363SS..Hα-helixtrans-66.2-21.8174.9-64.2-176.4-178.11760112.6Y241 E245 G258 R264Y241-K260 HydrophobicContact CD1-CB 4.2Å; Y241-K260 HydrophobicContact CD1-CD 4.29Å; Y241-K260 HydrophobicContact CD1-CG 3.9Å; Y241-K260 HydrophobicContact CD2-CD 4.37Å; Y241-K260 HydrophobicContact CE1-CB 3.71Å; Y241-K260 HydrophobicContact CE1-CD 4.48Å; Y241-K260 HydrophobicContact CE1-CG 3.96Å; Y241-K260 HydrophobicContact CG-CD 4.24Å; Y241-K260 HydrophobicContact CG-CG 4.35Å; Y241-K260 PolarHBondContact OH-O 3.49Å; E245-K260 WeakPolarHBondContact OE1-CE 3.47Å; E245-K260 IonicContact OE1-NZ 3.95Å; E245-K260 PolarHBondContact OE1-NZ 3.5Å; G258-K260 PolarHBondContact O-N 3.27Å; K260-R264 WeakPolarHBondContact O-CG 3.42Å; K260-R264 PolarHBondContact O-N 3.19Å; K260-R264 PolarHBondContact O-NH1 2.71Å
261N97.1Very high94.8Very high93 Ų9373.2 Ų73.250%0.49738%0.383SS..Hα-helixtrans-75.9-41.9169.3-16047.7000111.5G258 W259 I263 R264 H265G258-N261 WeakPolarHBondContact O-CA 3.47Å; G258-N261 WeakPolarHBondContact O-CB 3.39Å; G258-N261 PolarHBondContact O-N 2.77Å; W259-N261 PolarHBondContact O-N 3.05Å; N261-I263 VanDerWaalsContact C-N 3.29Å; N261-I263 PolarHBondContact O-N 3.47Å; N261-R264 PolarHBondContact O-N 3.03Å; N261-R264 VanDerWaalsContact O-N 3.16Å; N261-R264 PolarHBondContact OD1-NH2 3.27Å; N261-H265 WeakPolarHBondContact O-CB 3.31Å; N261-H265 PolarHBondContact O-N 2.73Å
262S97.4Very high94.8Very high38 Ų3874.4 Ų74.427%0.26639%0.389SS..Hα-helixtrans-56.6-42174.1-49.90000111.8Y219 G258 W259 H265 N266Y219-S262 VanDerWaalsContact CE2-CB 3.43Å; G258-S262 PolarHBondContact O-N 3.25Å; W259-S262 WeakPolarHBondContact O-CA 3.49Å; W259-S262 VanDerWaalsContact O-CB 3.31Å; W259-S262 WeakPolarHBondContact O-CB 3.34Å; W259-S262 PolarHBondContact O-N 2.83Å; S262-H265 PolarHBondContact O-N 2.7Å; S262-N266 PolarHBondContact O-N 3.11Å; S262-N266 PolarHBondContact O-ND2 2.85Å
263I97.9Very high95.1Very high0 Ų068 Ų680%037%0.365CS..Hα-helixtrans-58.5-49.9173.6-65-65.1000112.1Y219 I223 L237 I240 Y241 I244 W259 N261 H265 N266 L267Y219-I263 HydrophobicContact CD1-CD1 3.58Å; Y219-I263 HydrophobicContact CD1-CG1 4.32Å; Y219-I263 HydrophobicContact CE1-CD1 4.35Å; Y219-I263 HydrophobicContact CG-CD1 4.24Å; I223-I263 HydrophobicContact CD1-CD1 4.03Å; I223-I263 HydrophobicContact CD1-CG2 4.3Å; I223-I263 HydrophobicContact CG1-CD1 3.96Å; I223-I263 HydrophobicContact CG1-CG2 4.43Å; L237-I263 HydrophobicContact CD1-CG2 4.16Å; I240-I263 HydrophobicContact CG2-CG2 4.03Å; Y241-I263 HydrophobicContact CD1-CG2 4.26Å; Y241-I263 HydrophobicContact CE1-CB 4.1Å; Y241-I263 HydrophobicContact CE1-CG2 3.94Å; I244-I263 HydrophobicContact CD1-CD1 3.49Å; I244-I263 VanDerWaalsContact CD1-CD1 3.49Å; I244-I263 HydrophobicContact CD1-CG1 4.34Å; W259-I263 HydrophobicContact CE3-CG1 3.78Å; W259-I263 HydrophobicContact CZ3-CG1 3.86Å; W259-I263 PolarHBondContact O-N 2.99Å; N261-I263 VanDerWaalsContact C-N 3.29Å; N261-I263 PolarHBondContact O-N 3.47Å; I263-H265 VanDerWaalsContact C-N 3.28Å; I263-H265 PolarHBondContact O-N 2.7Å; I263-N266 PolarHBondContact O-N 3.18Å; I263-L267 HydrophobicContact CG2-CD1 3.86Å; I263-L267 HydrophobicContact CG2-CG 4.49Å; I263-L267 WeakPolarHBondContact O-CB 3.49Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 3.36Å
264R97.9Very high95.5Very high101 Ų10165.5 Ų65.538%0.38136%0.355SS..Hα-helixtrans-61.5-37.6178-68.7-175-58.7-95.411.3112.5L237 Y241 K260 N261 S268L237-R264 HydrophobicContact CD1-CG 4.05Å; L237-R264 HydrophobicContact CD2-CG 3.93Å; Y241-R264 WeakPolarHBondContact OH-CG 3.29Å; Y241-R264 PolarHBondContact OH-NH1 3.16Å; K260-R264 WeakPolarHBondContact O-CG 3.42Å; K260-R264 PolarHBondContact O-N 3.19Å; K260-R264 PolarHBondContact O-NH1 2.71Å; N261-R264 PolarHBondContact O-N 3.03Å; N261-R264 VanDerWaalsContact O-N 3.16Å; N261-R264 PolarHBondContact OD1-NH2 3.27Å; R264-S268 PolarHBondContact O-N 3.42Å; R264-S268 PolarHBondContact O-OG 3.12Å
265H97.7Very high95.8Very high107 Ų10769.5 Ų69.550%0.49536%0.361SS..Hα-helixtrans-64.5-50.4175.6172.653.5000111.1N261 S262 I263 L267 S268 L269N261-H265 WeakPolarHBondContact O-CB 3.31Å; N261-H265 PolarHBondContact O-N 2.73Å; S262-H265 PolarHBondContact O-N 2.7Å; I263-H265 VanDerWaalsContact C-N 3.28Å; I263-H265 PolarHBondContact O-N 2.7Å; H265-L267 PolarHBondContact O-N 3.19Å; H265-S268 CarbonylContact O-C 3.53Å; H265-S268 WeakPolarHBondContact O-CA 3.18Å; H265-S268 PolarHBondContact O-N 2.86Å; H265-L269 WeakPolarHBondContact O-CB 3.38Å; H265-L269 PolarHBondContact O-N 3.21Å
266N98Very high95.9Very high22 Ų2273.2 Ų73.212%0.11838%0.376CS..Hα-helixtrans-60.2-42.5178.8-80.3-108.6000112T220 I223 S262 I263 S268 L269 H270T220-N266 PolarHBondContact OG1-OD1 2.62Å; I223-N266 HydrophobicContact CD1-CB 3.86Å; S262-N266 PolarHBondContact O-N 3.11Å; S262-N266 PolarHBondContact O-ND2 2.85Å; I263-N266 PolarHBondContact O-N 3.18Å; N266-S268 PolarHBondContact O-N 3.48Å; N266-L269 PolarHBondContact O-N 3.21Å; N266-H270 PolarHBondContact O-N 2.81Å; N266-H270 VanDerWaalsContact O-N 3.09Å
267L97.4Very high96.1Very high3 Ų370.3 Ų70.32%0.01636%0.36CS..Hα-helixtrans-60.8-23173.1-73.3168.8000114I223 L237 I240 I263 H265 F273 W286I223-L267 HydrophobicContact CD1-CD2 4.27Å; I223-L267 HydrophobicContact CD1-CG 4.04Å; I223-L267 HydrophobicContact CG2-CD2 3.63Å; L237-L267 HydrophobicContact CD1-CD1 3.6Å; I240-L267 HydrophobicContact CD1-CD1 4.16Å; I240-L267 HydrophobicContact CD1-CD2 4.25Å; I263-L267 HydrophobicContact CG2-CD1 3.86Å; I263-L267 HydrophobicContact CG2-CG 4.49Å; I263-L267 WeakPolarHBondContact O-CB 3.49Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 3.36Å; H265-L267 PolarHBondContact O-N 3.19Å; L267-F273 HydrophobicContact CD2-CB 4.05Å; L267-F273 HydrophobicContact CD2-CD1 4.39Å; L267-F273 HydrophobicContact CD2-CD2 4.18Å; L267-F273 HydrophobicContact CD2-CG 3.96Å; L267-W286 HydrophobicContact CB-CD2 4.32Å; L267-W286 HydrophobicContact CB-CE3 4.26Å; L267-W286 HydrophobicContact CB-CH2 3.9Å; L267-W286 HydrophobicContact CB-CZ2 3.98Å; L267-W286 HydrophobicContact CB-CZ3 4.04Å; L267-W286 HydrophobicContact CD1-CD2 4.29Å; L267-W286 HydrophobicContact CD1-CG 4.37Å; L267-W286 HydrophobicContact CD1-CZ2 4.42Å; L267-W286 HydrophobicContact CD2-CB 4.2Å; L267-W286 HydrophobicContact CD2-CD2 3.83Å; L267-W286 HydrophobicContact CD2-CE3 3.99Å; L267-W286 HydrophobicContact CD2-CG 3.93Å; L267-W286 HydrophobicContact CG-CD2 4.39Å; L267-W286 WeakPolarHBondContact O-CH2 3.38Å; L267-W286 WeakPolarHBondContact O-CZ3 3.09Å
268S97.1Very high96Very high96 Ų9665.9 Ų65.967%0.67133%0.332SS*.Hα-helixtrans-104.9-12.4179.7-47.20000113.4R264 H265 N266R264-S268 PolarHBondContact O-N 3.42Å; R264-S268 PolarHBondContact O-OG 3.12Å; H265-S268 CarbonylContact O-C 3.53Å; H265-S268 WeakPolarHBondContact O-CA 3.18Å; H265-S268 PolarHBondContact O-N 2.86Å; N266-S268 PolarHBondContact O-N 3.48Å
269L97Very high95.6Very high97 Ų9770.2 Ų70.251%0.50835%0.351SS..Hα-helixtrans-93.3-38.5-178.3178.269.7000111.6H265 N266H265-L269 WeakPolarHBondContact O-CB 3.38Å; H265-L269 PolarHBondContact O-N 3.21Å; N266-L269 PolarHBondContact O-N 3.21Å
270H96.6Very high95Very high65 Ų6574.1 Ų74.130%0.30137%0.373SS..  trans-99.5109.3-176.1-63.4-58.2000111.3T220 N266 M272 F273T220-H270 PolarHBondContact OG1-CD2 3.01Å; T220-H270 PolarHBondContact OG1-NE2 2.97Å; N266-H270 PolarHBondContact O-N 2.81Å; N266-H270 VanDerWaalsContact O-N 3.09Å; H270-M272 HydrophobicContact CB-CG 3.96Å; H270-M272 HydrophobicContact CB-SD 4.14Å; H270-M272 PolarHBondContact O-N 3.39Å; H270-F273 HydrophobicContact CB-CD2 3.93Å; H270-F273 HydrophobicContact CB-CE2 4.1Å; H270-F273 PolarHBondContact O-N 3.28Å
271D95.5Very high94.5Very high117 Ų11773 Ų7363%0.62638%0.379SS*.THydrogen-bonded Turntrans-48.1-23.3176.7-109.937.5000115.1F273 R289D271-F273 PolarHBondContact O-N 2.9Å; D271-R289 VanDerWaalsContact O-CZ 3.25Å; D271-R289 PolarHBondContact O-NE 3.07Å; D271-R289 PolarHBondContact O-NH2 3.25Å; D271-R289 IonicContact OD2-CZ 3.11Å; D271-R289 IonicContact OD2-NH2 4Å; D271-R289 PolarHBondContact OD2-NH2 2.8Å
272M95.5Very high94.1Very high28 Ų2875.5 Ų75.514%0.13839%0.386CS..THydrogen-bonded Turntrans-62.3-24.8174.874.1-164.3-63.300113.8T220 Q224 H270 I288 R289 I292T220-M272 HydrophobicContact CG2-CE 4.46Å; T220-M272 HydrophobicContact CG2-SD 3.68Å; Q224-M272 HydrophobicContact CG-CE 4.04Å; Q224-M272 VanDerWaalsContact NE2-CE 3.35Å; H270-M272 HydrophobicContact CB-CG 3.96Å; H270-M272 HydrophobicContact CB-SD 4.14Å; H270-M272 PolarHBondContact O-N 3.39Å; M272-I288 HydrophobicContact CE-CG2 4.48Å; M272-I288 CarbonylContact O-C 3.47Å; M272-I288 VanDerWaalsContact O-CA 3.31Å; M272-I288 WeakPolarHBondContact O-CA 3.47Å; M272-R289 PolarHBondContact O-N 3.41Å; M272-I292 HydrophobicContact CB-CB 4.5Å; M272-I292 HydrophobicContact CB-CD1 4.08Å; M272-I292 HydrophobicContact CB-CG2 4.13Å; M272-I292 HydrophobicContact CE-CG2 4.12Å
273F96.8Very high93.8Very high10 Ų1077.4 Ų77.44%0.04440%0.396CS..EExtended strand (participates in β ladder)trans-95.2107.1178.9-59.3-55000110.5T220 I223 Q224 I227 L267 H270 D271 W286 T287 I288T220-F273 HydrophobicContact CG2-CE2 3.92Å; T220-F273 HydrophobicContact CG2-CZ 3.84Å; I223-F273 HydrophobicContact CB-CE1 4.14Å; I223-F273 HydrophobicContact CB-CE2 4.43Å; I223-F273 HydrophobicContact CB-CZ 3.81Å; I223-F273 HydrophobicContact CD1-CE2 4.35Å; I223-F273 HydrophobicContact CG2-CD1 3.89Å; I223-F273 HydrophobicContact CG2-CE1 3.39Å; I223-F273 HydrophobicContact CG2-CE2 4.1Å; I223-F273 HydrophobicContact CG2-CG 4.45Å; I223-F273 HydrophobicContact CG2-CZ 3.51Å; Q224-F273 HydrophobicContact CG-CE1 4.01Å; Q224-F273 HydrophobicContact CG-CZ 4.11Å; I227-F273 HydrophobicContact CD1-CD1 4.07Å; I227-F273 HydrophobicContact CD1-CE1 4.3Å; L267-F273 HydrophobicContact CD2-CB 4.05Å; L267-F273 HydrophobicContact CD2-CD1 4.39Å; L267-F273 HydrophobicContact CD2-CD2 4.18Å; L267-F273 HydrophobicContact CD2-CG 3.96Å; H270-F273 HydrophobicContact CB-CD2 3.93Å; H270-F273 HydrophobicContact CB-CE2 4.1Å; H270-F273 PolarHBondContact O-N 3.28Å; D271-F273 PolarHBondContact O-N 2.9Å; F273-W286 HydrophobicContact CB-CE3 4.14Å; F273-W286 HydrophobicContact CB-CZ3 4.43Å; F273-T287 CarbonylContact C-O 3.54Å; F273-T287 WeakPolarHBondContact CA-O 2.99Å; F273-I288 HydrophobicContact CD1-CG1 4.22Å; F273-I288 HydrophobicContact CE1-CG1 4.17Å
274I96.3Very high93.6Very high76 Ų7678.7 Ų78.739%0.3941%0.405SS..EExtended strand (participates in β ladder)trans-94.3134.7177.3-68.3-173.6000109.7W286 T287 R289I274-W286 CarbonylContact O-C 3.58Å; I274-W286 WeakPolarHBondContact O-CA 3.18Å; I274-T287 PolarHBondContact N-O 3.12Å; I274-T287 PolarHBondContact O-N 2.93Å; I274-T287 PolarHBondContact O-OG1 3.13Å; I274-R289 HydrophobicContact CD1-CG 3.63Å; I274-R289 HydrophobicContact CG1-CG 3.91Å
275R96.1Very high93.5Very high165 Ų16575.6 Ų75.662%0.62339%0.394SS*.EExtended strand (participates in β ladder)trans-9497.1171.8-170.5-164.464.11360.7110.6F285 W286R275-F285 CarbonylContact C-O 3.5Å; R275-W286 HydrophobicContact CB-CD2 4.1Å; R275-W286 HydrophobicContact CB-CE3 3.76Å; R275-W286 HydrophobicContact CB-CH2 3.85Å; R275-W286 HydrophobicContact CB-CZ2 4.15Å; R275-W286 HydrophobicContact CB-CZ3 3.64Å; R275-W286 HydrophobicContact CG-CD2 4.29Å; R275-W286 HydrophobicContact CG-CE3 4.44Å; R275-W286 HydrophobicContact CG-CH2 4.35Å; R275-W286 HydrophobicContact CG-CZ2 4.15Å; R275-W286 HydrophobicContact CG-CZ3 4.48Å
276E94.1Very high93.5Very high93 Ų9372.3 Ų72.344%0.43538%0.377SS..EExtended strand (participates in β ladder)trans-83.9168.7179.8-152.8174.6143.100112.2S284 F285 T287E276-S284 WeakPolarHBondContact O-CA 3.41Å; E276-S284 WeakPolarHBondContact O-CB 3.48Å; E276-S284 PolarHBondContact O-OG 2.99Å; E276-F285 HydrophobicContact CB-CD1 4.4Å; E276-F285 HydrophobicContact CB-CD2 4.1Å; E276-F285 HydrophobicContact CB-CE1 4Å; E276-F285 HydrophobicContact CB-CE2 3.7Å; E276-F285 HydrophobicContact CB-CG 4.45Å; E276-F285 HydrophobicContact CB-CZ 3.64Å; E276-F285 HydrophobicContact CG-CE1 4.21Å; E276-F285 HydrophobicContact CG-CE2 4.09Å; E276-F285 HydrophobicContact CG-CZ 3.68Å; E276-F285 PolarHBondContact N-O 3.38Å; E276-F285 PolarHBondContact O-N 2.89Å; E276-F285 WeakPolarHBondContact OE1-CZ 3.34Å; E276-F285 WeakPolarHBondContact OE2-CE2 3.49Å; E276-T287 WeakPolarHBondContact OE2-CG2 3.38Å
277R92.5Very high93.4Very high124 Ų12472.1 Ų72.147%0.46838%0.377SS..EExtended strand (participates in β ladder)trans-116132.6174.6-16369.6-177.7158.31.4109.2G281 K282 T283 S284R277-G281 PolarHBondContact NE-O 2.9Å; R277-G281 PolarHBondContact NH2-O 2.93Å; R277-K282 PolarHBondContact NH2-O 3Å; R277-T283 WeakPolarHBondContact CD-O 3.48Å; R277-T283 PolarHBondContact NH1-O 3.43Å; R277-S284 WeakPolarHBondContact CD-OG 3.48Å; R277-S284 PolarHBondContact NH1-OG 2.69Å
278S88.3Confident93.4Very high24 Ų2472.3 Ų72.317%0.16838%0.378CS..  trans-55.2142.6170.6174.40000110.1D280 G281 T283S278-D280 PolarHBondContact O-N 3.38Å; S278-D280 VanDerWaalsContact O-N 3.16Å; S278-D280 PolarHBondContact OG-N 3.07Å; S278-G281 WeakPolarHBondContact O-CA 3.39Å; S278-G281 PolarHBondContact O-N 2.9Å; S278-T283 WeakPolarHBondContact CB-O 3.44Å; S278-T283 WeakPolarHBondContact CB-OG1 3.36Å; S278-T283 PolarHBondContact N-O 3.48Å
279P85Confident93.2Very high139 Ų13971.5 Ų71.590%0.90336%0.36SS*.THydrogen-bonded Turntrans-59.3-25175.424.2-34.8000112.6G281P279-G281 PolarHBondContact O-N 2.85Å
280D84.8Confident92.9Very high94 Ų9472.1 Ų72.150%0.50337%0.37SS..THydrogen-bonded Turntrans-70.9-6.6171.4-176.643.6000113.4S278 K282S278-D280 PolarHBondContact O-N 3.38Å; S278-D280 VanDerWaalsContact O-N 3.16Å; S278-D280 PolarHBondContact OG-N 3.07Å; D280-K282 PolarHBondContact O-N 3.2Å; D280-K282 IonicContact OD1-NZ 3.8Å; D280-K282 PolarHBondContact OD1-NZ 2.92Å; D280-K282 WeakPolarHBondContact OD2-CD 3.45Å; D280-K282 VanDerWaalsContact OD2-CG 3.25Å; D280-K282 WeakPolarHBondContact OD2-CG 3.5Å; D280-K282 IonicContact OD2-NZ 2.8Å; D280-K282 PolarHBondContact OD2-NZ 3.47Å
281G86.1Confident92.5Very high40 Ų4076 Ų7641%0.41239%0.393SS..SBendtrans68.4-4.7176.800000115.6R277 S278 P279R277-G281 PolarHBondContact NE-O 2.9Å; R277-G281 PolarHBondContact NH2-O 2.93Å; S278-G281 WeakPolarHBondContact O-CA 3.39Å; S278-G281 PolarHBondContact O-N 2.9Å; P279-G281 PolarHBondContact O-N 2.85Å
282K88.7Confident92.1Very high147 Ų14774 Ų7464%0.63938%0.381SS*.SBendtrans-84.6-44.2-175.8-62.1-168.9-167.976.80114.3R277 D280R277-K282 PolarHBondContact NH2-O 3Å; D280-K282 PolarHBondContact O-N 3.2Å; D280-K282 IonicContact OD1-NZ 3.8Å; D280-K282 PolarHBondContact OD1-NZ 2.92Å; D280-K282 WeakPolarHBondContact OD2-CD 3.45Å; D280-K282 VanDerWaalsContact OD2-CG 3.25Å; D280-K282 WeakPolarHBondContact OD2-CG 3.5Å; D280-K282 IonicContact OD2-NZ 2.8Å; D280-K282 PolarHBondContact OD2-NZ 3.47Å
283T90.8Very high91.7Very high78 Ų7873.9 Ų73.948%0.47938%0.382SS..  trans-112.1158.8-176.551.20000112.6R277 S278R277-T283 WeakPolarHBondContact CD-O 3.48Å; R277-T283 PolarHBondContact NH1-O 3.43Å; S278-T283 WeakPolarHBondContact CB-O 3.44Å; S278-T283 WeakPolarHBondContact CB-OG1 3.36Å; S278-T283 PolarHBondContact N-O 3.48Å
284S94.4Very high91.2Very high26 Ų2683.5 Ų83.518%0.18242%0.418CS..EExtended strand (participates in β ladder)trans-122.7140.9168.5-86.40000109.2E276 R277E276-S284 WeakPolarHBondContact O-CA 3.41Å; E276-S284 WeakPolarHBondContact O-CB 3.48Å; E276-S284 PolarHBondContact O-OG 2.99Å; R277-S284 WeakPolarHBondContact CD-OG 3.48Å; R277-S284 PolarHBondContact NH1-OG 2.69Å
285F95.9Very high90.5Very high37 Ų3782.2 Ų82.216%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-123.8156.9179.555.9-80.3000109.3R275 E276 T287R275-F285 CarbonylContact C-O 3.5Å; E276-F285 HydrophobicContact CB-CD1 4.4Å; E276-F285 HydrophobicContact CB-CD2 4.1Å; E276-F285 HydrophobicContact CB-CE1 4Å; E276-F285 HydrophobicContact CB-CE2 3.7Å; E276-F285 HydrophobicContact CB-CG 4.45Å; E276-F285 HydrophobicContact CB-CZ 3.64Å; E276-F285 HydrophobicContact CG-CE1 4.21Å; E276-F285 HydrophobicContact CG-CE2 4.09Å; E276-F285 HydrophobicContact CG-CZ 3.68Å; E276-F285 PolarHBondContact N-O 3.38Å; E276-F285 PolarHBondContact O-N 2.89Å; E276-F285 WeakPolarHBondContact OE1-CZ 3.34Å; E276-F285 WeakPolarHBondContact OE2-CE2 3.49Å; F285-T287 HydrophobicContact CD2-CG2 3.49Å; F285-T287 VanDerWaalsContact CD2-CG2 3.49Å; F285-T287 HydrophobicContact CE2-CG2 3.41Å; F285-T287 VanDerWaalsContact CE2-CG2 3.41Å
286W96.9Very high90Very high37 Ų3776.9 Ų76.914%0.1440%0.398CS..EExtended strand (participates in β ladder)trans-99.9130.1173.7-65.797.5000108.9I227 G234 M235 I240 L267 F273 I274 R275I227-W286 HydrophobicContact CD1-CB 4.1Å; G234-W286 WeakPolarHBondContact CA-O 3.46Å; M235-W286 PolarHBondContact N-O 3.48Å; M235-W286 PolarHBondContact O-N 3.3Å; I240-W286 HydrophobicContact CD1-CB 4.13Å; I240-W286 HydrophobicContact CD1-CG 4.34Å; L267-W286 HydrophobicContact CB-CD2 4.32Å; L267-W286 HydrophobicContact CB-CE3 4.26Å; L267-W286 HydrophobicContact CB-CH2 3.9Å; L267-W286 HydrophobicContact CB-CZ2 3.98Å; L267-W286 HydrophobicContact CB-CZ3 4.04Å; L267-W286 HydrophobicContact CD1-CD2 4.29Å; L267-W286 HydrophobicContact CD1-CG 4.37Å; L267-W286 HydrophobicContact CD1-CZ2 4.42Å; L267-W286 HydrophobicContact CD2-CB 4.2Å; L267-W286 HydrophobicContact CD2-CD2 3.83Å; L267-W286 HydrophobicContact CD2-CE3 3.99Å; L267-W286 HydrophobicContact CD2-CG 3.93Å; L267-W286 HydrophobicContact CG-CD2 4.39Å; L267-W286 WeakPolarHBondContact O-CH2 3.38Å; L267-W286 WeakPolarHBondContact O-CZ3 3.09Å; F273-W286 HydrophobicContact CB-CE3 4.14Å; F273-W286 HydrophobicContact CB-CZ3 4.43Å; I274-W286 CarbonylContact O-C 3.58Å; I274-W286 WeakPolarHBondContact O-CA 3.18Å; R275-W286 HydrophobicContact CB-CD2 4.1Å; R275-W286 HydrophobicContact CB-CE3 3.76Å; R275-W286 HydrophobicContact CB-CH2 3.85Å; R275-W286 HydrophobicContact CB-CZ2 4.15Å; R275-W286 HydrophobicContact CB-CZ3 3.64Å; R275-W286 HydrophobicContact CG-CD2 4.29Å; R275-W286 HydrophobicContact CG-CE3 4.44Å; R275-W286 HydrophobicContact CG-CH2 4.35Å; R275-W286 HydrophobicContact CG-CZ2 4.15Å; R275-W286 HydrophobicContact CG-CZ3 4.48Å
287T96.3Very high89.7Confident18 Ų1873.6 Ų73.611%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-117.3164174.455.30000109.6F273 I274 E276 F285F273-T287 CarbonylContact C-O 3.54Å; F273-T287 WeakPolarHBondContact CA-O 2.99Å; I274-T287 PolarHBondContact N-O 3.12Å; I274-T287 PolarHBondContact O-N 2.93Å; I274-T287 PolarHBondContact O-OG1 3.13Å; E276-T287 WeakPolarHBondContact OE2-CG2 3.38Å; F285-T287 HydrophobicContact CD2-CG2 3.49Å; F285-T287 VanDerWaalsContact CD2-CG2 3.49Å; F285-T287 HydrophobicContact CE2-CG2 3.41Å; F285-T287 VanDerWaalsContact CE2-CG2 3.41Å
288I96Very high89.5Confident8 Ų868.9 Ų68.94%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-100.5136.8168.2-52.9163.1000107.3Q224 I227 M272 F273 N293Q224-I288 HydrophobicContact CB-CD1 4.18Å; Q224-I288 HydrophobicContact CG-CD1 4.08Å; I227-I288 HydrophobicContact CB-CD1 4.17Å; I227-I288 HydrophobicContact CB-CG1 4.27Å; I227-I288 HydrophobicContact CD1-CG1 4.13Å; I227-I288 HydrophobicContact CG2-CD1 4.17Å; I227-I288 HydrophobicContact CG2-CG1 4.01Å; M272-I288 HydrophobicContact CE-CG2 4.48Å; M272-I288 CarbonylContact O-C 3.47Å; M272-I288 VanDerWaalsContact O-CA 3.31Å; M272-I288 WeakPolarHBondContact O-CA 3.47Å; F273-I288 HydrophobicContact CD1-CG1 4.22Å; F273-I288 HydrophobicContact CE1-CG1 4.17Å; I288-N293 HydrophobicContact CB-CB 4.05Å; I288-N293 HydrophobicContact CG2-CB 3.71Å
289R93.7Very high89.3Confident78 Ų7873.8 Ų73.829%0.29439%0.393SS..  trans-51.2127.7172.9-68.5-163.6-164.3-170.49.7110.3D271 M272 I274 D291 I292 N293D271-R289 VanDerWaalsContact O-CZ 3.25Å; D271-R289 PolarHBondContact O-NE 3.07Å; D271-R289 PolarHBondContact O-NH2 3.25Å; D271-R289 IonicContact OD2-CZ 3.11Å; D271-R289 IonicContact OD2-NH2 4Å; D271-R289 PolarHBondContact OD2-NH2 2.8Å; M272-R289 PolarHBondContact O-N 3.41Å; I274-R289 HydrophobicContact CD1-CG 3.63Å; I274-R289 HydrophobicContact CG1-CG 3.91Å; R289-D291 VanDerWaalsContact C-N 3.26Å; R289-D291 PolarHBondContact O-N 2.87Å; R289-I292 HydrophobicContact CB-CB 4.34Å; R289-I292 HydrophobicContact CB-CD1 4.18Å; R289-I292 HydrophobicContact CB-CG1 4.1Å; R289-I292 HydrophobicContact CG-CD1 4.48Å; R289-I292 PolarHBondContact O-N 2.59Å; R289-N293 WeakPolarHBondContact O-CB 3.35Å; R289-N293 PolarHBondContact O-N 3.33Å
290P90.4Very high89.1Confident111 Ų11172.7 Ų72.772%0.72138%0.376SS*.G310 helixtrans-51-46.3-180-2936.1000112.6I292 N293P290-I292 PolarHBondContact O-N 2.79Å; P290-I292 VanDerWaalsContact O-N 3.1Å; P290-N293 PolarHBondContact O-N 3.28Å
291D88.6Confident88.7Confident145 Ų14571.1 Ų71.178%0.77537%0.37SS*.G310 helixtrans-58.1-24.9-179-21.8-50.8000114R289R289-D291 VanDerWaalsContact C-N 3.26Å; R289-D291 PolarHBondContact O-N 2.87Å
292I87.1Confident88.1Confident75 Ų7576.1 Ų76.139%0.38538%0.377SS..G310 helixtrans-108.5-12.7-177.5-48179.6000110.7M272 R289 P290 R294M272-I292 HydrophobicContact CB-CB 4.5Å; M272-I292 HydrophobicContact CB-CD1 4.08Å; M272-I292 HydrophobicContact CB-CG2 4.13Å; M272-I292 HydrophobicContact CE-CG2 4.12Å; R289-I292 HydrophobicContact CB-CB 4.34Å; R289-I292 HydrophobicContact CB-CD1 4.18Å; R289-I292 HydrophobicContact CB-CG1 4.1Å; R289-I292 HydrophobicContact CG-CD1 4.48Å; R289-I292 PolarHBondContact O-N 2.59Å; P290-I292 PolarHBondContact O-N 2.79Å; P290-I292 VanDerWaalsContact O-N 3.1Å; I292-R294 PolarHBondContact O-N 3.19Å
293N86.9Confident86.6Confident26 Ų2679.6 Ų79.614%0.13939%0.386CS..  trans-79.886.4-172.5-164.93.8000112.4N228 I288 R289 P290 C295N228-N293 PolarHBondContact ND2-OD1 3.35Å; N228-N293 PolarHBondContact OD1-ND2 3.38Å; N228-N293 PolarHBondContact OD1-OD1 3.11Å; I288-N293 HydrophobicContact CB-CB 4.05Å; I288-N293 HydrophobicContact CG2-CB 3.71Å; R289-N293 WeakPolarHBondContact O-CB 3.35Å; R289-N293 PolarHBondContact O-N 3.33Å; P290-N293 PolarHBondContact O-N 3.28Å; N293-C295 PolarHBondContact O-N 3.2Å; N293-C295 WeakPolarHBondContact OD1-CA 3.4Å; N293-C295 PolarHBondContact OD1-N 3.12Å
294R86.1Confident84.4Confident212 Ų21280.4 Ų80.480%0.839%0.393SS*.  trans-60.69.4168-61-178.8-177.2167.9-0.1114.5I292 L296I292-R294 PolarHBondContact O-N 3.19Å; R294-L296 HydrophobicContact CB-CD2 4.2Å; R294-L296 HydrophobicContact CB-CG 4.17Å; R294-L296 PolarHBondContact O-N 3.05Å
295C82.9Confident81.6Confident50 Ų5084 Ų8434%0.33842%0.417SS..  trans55.423.1176.5-74.40000115.8N293 T297N293-C295 PolarHBondContact O-N 3.2Å; N293-C295 WeakPolarHBondContact OD1-CA 3.4Å; N293-C295 PolarHBondContact OD1-N 3.12Å; C295-T297 PolarHBondContact O-N 2.84Å
296L84.1Confident78.9Confident52 Ų5287.4 Ų87.427%0.27244%0.444SS..  trans-50.7117.1179.7-56.3-179.6000111.5F225 N228 R294F225-L296 HydrophobicContact CD1-CB 4.13Å; F225-L296 HydrophobicContact CE1-CB 4.07Å; N228-L296 WeakPolarHBondContact CB-O 3.18Å; N228-L296 PolarHBondContact ND2-N 2.85Å; N228-L296 PolarHBondContact ND2-O 3.02Å; R294-L296 HydrophobicContact CB-CD2 4.2Å; R294-L296 HydrophobicContact CB-CG 4.17Å; R294-L296 PolarHBondContact O-N 3.05Å
297T89.3Confident75.9Confident25 Ų2592 Ų9215%0.15347%0.471CS..  trans-111.5160.6168.665.90000110.4N228 C295 D299 Q300N228-T297 HydrophobicContact CB-CG2 4.26Å; C295-T297 PolarHBondContact O-N 2.84Å; T297-D299 VanDerWaalsContact C-N 3.28Å; T297-D299 PolarHBondContact O-N 2.86Å; T297-D299 PolarHBondContact OG1-OD2 2.93Å; T297-Q300 VanDerWaalsContact N-OE1 3.15Å; T297-Q300 PolarHBondContact O-N 3.45Å
298L88Confident73.4Confident24 Ų2498 Ų9813%0.12651%0.51CS..G310 helixtrans-61.6-39.5-179.3-172.762.5000111.6Y217 F225 W243 H247 F248 Q300 V301 Y302Y217-L298 HydrophobicContact CE2-CD1 4.27Å; F225-L298 HydrophobicContact CD2-CD1 3.9Å; F225-L298 HydrophobicContact CE2-CD1 4.03Å; W243-L298 HydrophobicContact CH2-CB 4.2Å; W243-L298 HydrophobicContact CH2-CD2 4.16Å; W243-L298 HydrophobicContact CZ2-CB 4.35Å; W243-L298 HydrophobicContact CZ2-CD2 4.47Å; H247-L298 HydrophobicContact CB-CD2 3.99Å; F248-L298 HydrophobicContact CE1-CD1 4.16Å; F248-L298 HydrophobicContact CZ-CD1 3.66Å; F248-L298 HydrophobicContact CZ-CD2 4.46Å; L298-Q300 PolarHBondContact O-N 2.9Å; L298-Q300 VanDerWaalsContact O-N 3.14Å; L298-V301 PolarHBondContact O-N 3.45Å; L298-Y302 PolarHBondContact O-N 3.24Å
299D83.8Confident71.1Confident128 Ų128100.6 Ų100.668%0.68454%0.539SS*.G310 helixtrans-61.3-20.4-179.1-18.3-59.4000113.8T297T297-D299 VanDerWaalsContact C-N 3.28Å; T297-D299 PolarHBondContact O-N 2.86Å; T297-D299 PolarHBondContact OG1-OD2 2.93Å
300Q80.8Confident68.3Low115 Ų115103.1 Ų103.154%0.53756%0.564SS.*G310 helixtrans-80.9-20.7174.9-67.2165.5-1.600112.7T297 L298T297-Q300 VanDerWaalsContact N-OE1 3.15Å; T297-Q300 PolarHBondContact O-N 3.45Å; L298-Q300 PolarHBondContact O-N 2.9Å; L298-Q300 VanDerWaalsContact O-N 3.14Å
301V75.8Confident66.1Low61 Ų61105 Ų10537%0.3757%0.573SS.*THydrogen-bonded Turntrans-111.6-36-172-164.40000111Y217 F225 L298 R303Y217-V301 HydrophobicContact CE1-CG1 3.56Å; F225-V301 HydrophobicContact CE1-CG2 3.78Å; F225-V301 HydrophobicContact CZ-CB 4.35Å; F225-V301 HydrophobicContact CZ-CG2 3.85Å; L298-V301 PolarHBondContact O-N 3.45Å; V301-R303 PolarHBondContact O-N 3.47Å
302Y73.7Confident63.6Low145 Ų145103.4 Ų103.457%0.56957%0.573SS**SBendtrans-73.881.5162.4-162.8-86.5000108.9L298 P304L298-Y302 PolarHBondContact O-N 3.24Å; Y302-P304 WeakPolarHBondContact O-CD 3.37Å
303R57.4Low60.9Low220 Ų220104.2 Ų104.283%0.8359%0.586SS**  trans-53.1128166.4-68.2-173.5-175.5177.33.1107.9V301V301-R303 PolarHBondContact O-N 3.47Å
304P44Very low58.8Low95 Ų95108.6 Ų108.662%0.61762%0.615SS**  trans-51.7144157.2-21.433.2000108.4Y302 C306Y302-P304 WeakPolarHBondContact O-CD 3.37Å; P304-C306 VanDerWaalsContact C-N 3.3Å; P304-C306 PolarHBondContact O-N 2.86Å
305C35.9Very low56.3Low102 Ų102105.2 Ų105.269%0.68962%0.618SS**  trans-65.798.4168-168.40000107D307C305-D307 PolarHBondContact O-N 3Å; C305-D307 VanDerWaalsContact O-N 3.11Å
306C38.8Very low53.8Low109 Ų109108 Ų10874%0.73664%0.638SS**  trans-70.1106.5173-65.30000107.4P304P304-C306 VanDerWaalsContact C-N 3.3Å; P304-C306 PolarHBondContact O-N 2.86Å
307D35.4Very low51.9Low132 Ų132113.7 Ų113.771%0.70667%0.668SS**  trans-50.5136.8168.2-62.5-58000109.2C305 G309C305-D307 PolarHBondContact O-N 3Å; C305-D307 VanDerWaalsContact O-N 3.11Å; D307-G309 PolarHBondContact O-N 3.18Å
308P42.8Very low49.3Very low144 Ų144120.2 Ų120.294%0.93570%0.701SS**THydrogen-bonded Turntrans-7563.7-17731.6-36.2000111
309G47.7Very low46.7Very low63 Ų63124.5 Ų124.565%0.64973%0.73SS**THydrogen-bonded Turntrans-150.11.6-163.500000117D307D307-G309 PolarHBondContact O-N 3.18Å
310T35.5Very low44.2Very low132 Ų132124.5 Ų124.581%0.8174%0.739SS**  trans-151.8125.3166.1-69.70000111.3
311V44.2Very low42.1Very low150 Ų150124.2 Ų124.291%0.90975%0.747SS**  trans-78.1122.3171.9179.60000109.4
312S35.2Very low40.1Very low111 Ų111129.7 Ų129.778%0.77677%0.768SS**  trans-140.3142.1166.3-165.60000110.6
313S30.5Very low38.2Very low93 Ų93131.9 Ų131.965%0.6578%0.783SS**PPolyproline II helixtrans-68.7145.6-168.6-175.30000112.7V315S313-V315 PolarHBondContact O-N 3.18Å
314P42Very low36.9Very low118 Ų118129.7 Ų129.777%0.76678%0.782SS**PPolyproline II helixtrans-58.6132.1161.227.4-34.6000109.4
315V33.6Very low36.2Very low140 Ų140132.1 Ų132.185%0.84879%0.785SS**PPolyproline II helixtrans-97.8125.8170.3175.60000108S313S313-V315 PolarHBondContact O-N 3.18Å
316S32Very low36Very low108 Ų108134.5 Ų134.576%0.75578%0.784SS**PPolyproline II helixtrans-65.6158.6-175.1-54.10000113.6L318S316-L318 PolarHBondContact O-N 2.78Å
317L43.9Very low35.7Very low172 Ų172138.6 Ų138.690%0.90179%0.789SS**PPolyproline II helixtrans-47.6124.2174.1-61.3166.7000112
318L33.3Very low35.2Very low162 Ų162139.7 Ų139.785%0.84880%0.795SS**  trans-120.7113168-156.182.8000110.1S316S316-L318 PolarHBondContact O-N 2.78Å
319P34.5Very low34.7Very low114 Ų114141 Ų14174%0.7479%0.792SS**PPolyproline II helixtrans-63.4135.9173.7-22.534.2000111.5P321P319-P321 WeakPolarHBondContact O-CD 3.49Å
320C30.2Very low33.8Very low129 Ų129143.1 Ų143.187%0.87280%0.797SS**PPolyproline II helixtrans-79120.1178.8-171.90000110.8
321P38.2Very low33.4Very low108 Ų108141.7 Ų141.770%0.70180%0.799SS**PPolyproline II helixtrans-77.2148.5-17931.2-34.7000112.7P319P319-P321 WeakPolarHBondContact O-CD 3.49Å
322H33Very low32.9Very low177 Ų177140.3 Ų140.382%0.81979%0.79SS**PPolyproline II helixtrans-62.7138.5173.5-125.935.6000111.3
323Q33.1Very low32.8Very low191 Ų191145.5 Ų145.589%0.89379%0.793SS**  trans-107.9115.7166.9-74.1-164.41.900111.1
324H31.8Very low33Very low173 Ų173150.1 Ų150.180%0.80180%0.801SS**  trans-85.5170.6158.6-91.9-108.1000110.6
325E29.3Very low32.5Very low147 Ų147148.8 Ų148.869%0.68780%0.8SS**  trans-77.2166.4-169.6-57.6177.582.600116.5
326K31.8Very low32.9Very low151 Ų151148.2 Ų148.266%0.65780%0.8SS**  trans91.6110143-78.6145.2-174.6157.20121.1
327K32Very low33Very low195 Ų195148 Ų14885%0.84881%0.805SS**  trans81.4112.2130.4-67.5-177.3175-174.10121.2
328N24.7Very low32.5Very low156 Ų156145.8 Ų145.883%0.83480%0.803SS**  trans-12.1136143.9-84.4-17.9000118.1
329I32.5Very low32.9Very low171 Ų171144.3 Ų144.388%0.87780%0.801SS**  -162.4159.999.7-96.5160.5000109.2
330S28.5Very low33.2Very low107 Ų107147.7 Ų147.775%0.74881%0.807SS**  trans-95.2158.3-176.353.90000114
331A28Very low34Very low103 Ų103152.1 Ų152.185%0.85181%0.806SS**  trans-143.6142.5163.500000110
332V32.1Very low34.2Very low120 Ų120158.7 Ų158.773%0.72782%0.816SS**  trans-142.7115.5-168.2163.10000110.7
333R33Very low34.8Very low220 Ų220159.1 Ų159.183%0.8382%0.821SS**  trans172.5142.1133.2-98.5151.5-178.9-164.8-1.6116.3
334K36.3Very low36.3Very low190 Ų190158.8 Ų158.883%0.82682%0.816SS**  trans60.9118.2143.3-69.1180175.4-170.30120.5
335A31.3Very low37.3Very low90 Ų90156.9 Ų156.974%0.74482%0.819SS**  trans-79.2172.3146.100000111.1
336P41.4Very low38.4Very low129 Ų129157.1 Ų157.184%0.83883%0.825SS**  -119.2165.3121.436-33.6000111.7
337A34Very low39.7Very low104 Ų104157.2 Ų157.286%0.8683%0.832SS**  trans-95.4147.2-178.600000112.5
338S33.4Very low40.8Very low124 Ų124153.9 Ų153.987%0.86783%0.83SS**  trans-141.3151.2154.560.10000109.5
339T42.3Very low41.7Very low131 Ų131157 Ų15780%0.80483%0.83SS**  trans-103.3134.5-175.850.70000110.8
340E39.9Very low42.4Very low186 Ų186154.5 Ų154.587%0.86982%0.823SS**  trans-161.5-176.9141.8-120.3166.8-161.500115.2
341R46.6Very low43Very low222 Ų222156.1 Ų156.184%0.83882%0.823SS**  trans-103137.3-151.2-65.4178.4171.7101.7-6.7114.8
342R42.7Very low43.6Very low245 Ų245156.5 Ų156.593%0.92582%0.819SS**  trans14.3110.9142.5-69.5-87.9-170.7109.4-1.2117.2
343M46.5Very low44.4Very low186 Ų186161 Ų16192%0.91683%0.825SS**  trans-134.8158.1142.1-71.7-152.681.200110.8
344K63.8Low44.9Very low184 Ų184158.6 Ų158.680%0.883%0.828SS**PPolyproline II helixtrans-86.2149179-60.1177.6-177.4178.40110L346K344-L346 PolarHBondContact O-N 3.22Å
345P53.9Low45.1Very low133 Ų133155.1 Ų155.186%0.86482%0.822SS**PPolyproline II helixtrans-61.6133166.528.2-33.8000109.6
346L50.8Low45.8Very low153 Ų153156.7 Ų156.780%0.80183%0.825SS**PPolyproline II helixtrans-85.8141.1175.5-66.4173.2000109.8K344K344-L346 PolarHBondContact O-N 3.22Å
347L60.6Low45.8Very low153 Ų153157.5 Ų157.580%0.80182%0.82SS**PPolyproline II helixtrans-62.3143.2168.9-68.4166.3000109.8R349L347-R349 PolarHBondContact O-N 3.08Å
348P54Low45.9Very low124 Ų124160.8 Ų160.881%0.80582%0.818SS**PPolyproline II helixtrans-62.2125.1166.228.2-32.7000108.6
349R43.3Very low46.6Very low223 Ų223162.3 Ų162.384%0.84282%0.816SS**PPolyproline II helixtrans-75.5151.2168.9-77-172.617088.6-2.8109.8L347L347-R349 PolarHBondContact O-N 3.08Å
350T48.3Very low46.8Very low117 Ų117162.1 Ų162.172%0.71882%0.817SS**PPolyproline II helixtrans-63159.6162.650.90000110.5
351D40.5Very low46.7Very low141 Ų141161 Ų16175%0.75482%0.815SS**  162.1116.9120.2-78.1-7.6000111.2
352S41.8Very low46.6Very low111 Ų111154.9 Ų154.978%0.77681%0.812SS**  trans-160.981.5162.743.30000113.9
353Y47.4Very low46.3Very low214 Ų214148.7 Ų148.784%0.83981%0.806SS**  trans51.7112.8145.4-55.1-75.8000121.1
354L43.3Very low45.8Very low171 Ų171145.4 Ų145.490%0.89580%0.801SS**  trans-71.8138151.9-74.3166.7000110.9
355V40.8Very low44.5Very low117 Ų117140.2 Ų140.271%0.70979%0.793SS**  trans-140.6115.4161.4-1790000109.1I357V355-I357 HydrophobicContact CG1-CD1 4.32Å; V355-I357 HydrophobicContact CG1-CG1 4.35Å
356P47.4Very low43.6Very low123 Ų123145 Ų14580%0.79980%0.795SS**  trans-107.798.9-177.335.8-28.1000113.2
357I41.1Very low43Very low145 Ų145145.2 Ų145.274%0.74480%0.796SS**  trans-149.1141175.5-52.7178.2000109V355V355-I357 HydrophobicContact CG1-CD1 4.32Å; V355-I357 HydrophobicContact CG1-CG1 4.35Å
358Q35.5Very low42.3Very low174 Ų174143.5 Ų143.581%0.81379%0.794SS**  cis-164141-33.4-166.9160.310.200106.8
359L47.4Very low41.2Very low156 Ų156142.5 Ų142.582%0.81779%0.79SS**  trans-84136.1-176.4-69.5172000112.6
360P47.3Very low40.8Very low127 Ų127139 Ų13983%0.82579%0.787SS**  trans-70.1146.3166.1-1630.9000112
361I38.7Very low40.1Very low162 Ų162139.1 Ų139.183%0.83179%0.793SS**  trans-112.6125.2-170.2-71.7174.2000112.9
362A42.4Very low39.6Very low94 Ų94136 Ų13678%0.77779%0.794SS**  trans41.1129.8147.200000123.8
363S38.4Very low39.4Very low114 Ų114135.3 Ų135.380%0.79779%0.789SS**  trans-147.1127.6132.448.40000107.1
364S35.8Very low38.5Very low117 Ų117135.6 Ų135.682%0.81879%0.791SS**  cis72.4119.849-153.50000111.6
365A36.1Very low38.1Very low75 Ų75133 Ų13362%0.6279%0.785SS**  cis-162-170.34.100000113.6
366Y34.9Very low38.2Very low233 Ų233133.3 Ų133.391%0.91479%0.79SS**  trans87.1137.5162.8-73.1-79.5000122.4
367L38.9Very low37.5Very low159 Ų159133.1 Ų133.183%0.83279%0.791SS**  trans-87.7176.1166.1-66.5173.7000109.2
368P45.3Very low36.9Very low117 Ų117129.8 Ų129.876%0.7679%0.793SS**  cis-153.9177.127.546.3-24.8000120.4
369S29.8Very low36.8Very low102 Ų102127.2 Ų127.271%0.71379%0.794SS**  trans43.9128.5138.5-149.60000124.5
370L34.7Very low36.1Very low150 Ų150129.4 Ų129.479%0.78580%0.797SS**  trans63.3124.7143.6-10973.8000123.7
371S34.5Very low35.6Very low119 Ų119130.2 Ų130.283%0.83279%0.789SS**  trans71.3142.3138.474.90000120
372G30Very low35.3Very low76 Ų76132.4 Ų132.478%0.78479%0.793SS**  trans155.4109.3172.500000113.1
373S36.6Very low35.1Very low96 Ų96134.6 Ų134.667%0.67179%0.787SS**  trans-70.4145161.4175.70000109.4
374Y28.4Very low34.7Very low221 Ų221137 Ų13787%0.86779%0.791SS**  174.3146.3113.9-87.9-61.3000111.6
375C35.2Very low34.8Very low115 Ų115135.7 Ų135.778%0.77779%0.788SS**  trans-118.3149.2168.8179.90000108.3
376P44.2Very low34.8Very low124 Ų124137.3 Ų137.381%0.80579%0.794SS**  trans-136.9142.1139.635.3-22.9000114.2
377S31.2Very low35Very low119 Ų119138.2 Ų138.283%0.83280%0.796SS**  trans-79.1147.2162.2-179.80000110.6
378G28.8Very low34.7Very low76 Ų76133.8 Ų133.878%0.78479%0.789SS**  trans-102.2118.2-179.100000113.5
379S34.9Very low34.4Very low120 Ų120135.5 Ų135.584%0.83980%0.798SS**  trans-151.4147.1152.9710000112.5
380K31.9Very low34.8Very low202 Ų202139.9 Ų139.988%0.87880%0.804SS**  trans-154.8148.4173.6-83.6-170.8179.8177.60108
381H36.3Very low34.9Very low143 Ų143144.2 Ų144.266%0.66281%0.809SS**  cis-171.2129.6-20.3-167.7-89.6000108.1
382K32.6Very low34.7Very low209 Ų209144.9 Ų144.991%0.90981%0.808SS**  trans-160.9156.5151-127.2170.6-177.4175.90112.8
383Q38.4Very low35.5Very low140 Ų140152.7 Ų152.765%0.65481%0.814SS**  trans-114.6153.4-166.4-57.5150.9-55.600110.7
384N30.5Very low35.4Very low164 Ų164155.6 Ų155.688%0.87782%0.82SS**  -177.4170.9105.6-90.1-25.5000111.2
385A37.2Very low35.7Very low90 Ų90148.8 Ų148.874%0.74481%0.81SS**  trans-129.9151.8-157.200000114.6
386S37.2Very low35.9Very low109 Ų109149.8 Ų149.876%0.76282%0.815SS**  147.2139.3118.765.70000115.3
387R37.5Very low35.5Very low251 Ų251151.3 Ų151.395%0.94781%0.809SS**  trans39.6130.5147.7-61.9178.7174.9-159.2-2121.2
388G33.7Very low35.7Very low66 Ų66151.9 Ų151.968%0.6881%0.807SS**  trans15985139.200000120.7
389T38.2Very low36.1Very low154 Ų154154.4 Ų154.495%0.94581%0.808SS**  trans58.6-165.1150.771.80000119.3
390K39.9Very low35.9Very low193 Ų193156 Ų15684%0.83980%0.802SS**  trans-122.2137.9-146-70.6175.8179172.10114.6
391R35.9Very low35.7Very low241 Ų241150.3 Ų150.391%0.90980%0.801SS**  trans54.1122150.6-62.317173.4-158.26.9118.8
392V29.3Very low35.5Very low134 Ų134150.9 Ų150.981%0.81281%0.809SS**  -161.3158.4120131.40000110I394V392-I394 HydrophobicContact CG1-CG1 4.07Å
393R46.8Very low35.7Very low240 Ų240145.8 Ų145.891%0.90680%0.799SS**  trans-103.6134172.2-65.1174.4176.7140.1-6.8109.8
394I35.1Very low36.5Very low156 Ų156144.8 Ų144.880%0.881%0.805SS**  trans-139.4100.9159.6-55.4-179.4000104.2V392V392-I394 HydrophobicContact CG1-CG1 4.07Å
395A35.8Very low36.5Very low78 Ų78141 Ų14165%0.64580%0.797SS**  75.1120.562.600000112.6
396P37.9Very low36.2Very low137 Ų137143.5 Ų143.589%0.8980%0.802SS**  trans-77129.516731.9-31.4000109.9
397K37.6Very low35.9Very low155 Ų155142.1 Ų142.167%0.67480%0.797SS**  trans-132.5135.7158.7-132.4177.2-176.1-1790106.2E400K397-E400 VanDerWaalsContact CE-OE2 3.26Å; K397-E400 WeakPolarHBondContact CE-OE2 3.23Å; K397-E400 IonicContact NZ-OE2 2.8Å; K397-E400 PolarHBondContact NZ-OE2 2.92Å
398V34.8Very low35.6Very low131 Ų131138.3 Ų138.379%0.79480%0.795SS**  -172.5148.190.1158.10000105.3
399T35.7Very low35.3Very low130 Ų130139.1 Ų139.180%0.79880%0.795SS**  cis-121.6153.99.912.60000112
400E30.8Very low35.8Very low153 Ų153137.1 Ų137.172%0.71579%0.785SS**  trans-119161.9153-80176.813300108.3K397K397-E400 VanDerWaalsContact CE-OE2 3.26Å; K397-E400 WeakPolarHBondContact CE-OE2 3.23Å; K397-E400 IonicContact NZ-OE2 2.8Å; K397-E400 PolarHBondContact NZ-OE2 2.92Å
401G28.8Very low35.3Very low83 Ų83135.9 Ų135.986%0.85678%0.782SS**  trans178.891.4169.200000111.5
402D32.9Very low35Very low155 Ų155129.5 Ų129.583%0.82977%0.77SS**  trans-150.8157.8175.1-162.6-8.5000109.6
403S35.4Very low34.8Very low102 Ų102129.4 Ų129.471%0.71376%0.764SS**  trans69163175.6-68.30000115.7
404P54.5Low34.2Very low118 Ų118124.6 Ų124.677%0.76676%0.756SS**  cis-142.1166.616.946-28.9000119.2
405A30.6Very low33.8Very low86 Ų86125.8 Ų125.871%0.71176%0.755SS**  109.7143.1125.300000122.4
406V31.5Very low33.5Very low142 Ų142127.5 Ų127.586%0.86176%0.758SS**  trans89.5131.3150.1-178.10000120.9
407A31.1Very low33.3Very low79 Ų79129.4 Ų129.465%0.65376%0.755SS**  trans91.1115.3152.100000122.7
408L30.8Very low34.2Very low171 Ų171127 Ų12790%0.89576%0.755SS**  trans56.7121.2135.6-82.179.2000122
409A27.9Very low34Very low84 Ų84127 Ų12769%0.69476%0.755SS**  trans-79.4175.7138.700000109.2
410P49.4Very low33.6Very low111 Ų111126.9 Ų126.972%0.72175%0.75SS**  cis-144.3-162.917.131.1-4.1000115.6
411Q28.6Very low33.6Very low167 Ų167125.4 Ų125.478%0.7875%0.751SS**  trans102.5147.3152.2-64.5-68.224.400122.1
412V29.1Very low34.3Very low108 Ų108126.5 Ų126.566%0.65574%0.743SS**  trans-47.4154.2-170.9-74.60000123.1
413D25.7Very low34.1Very low131 Ų131124.3 Ų124.370%0.70174%0.735SS**  82.3139129.5-86.8-37.7000126.8
414L33.5Very low33.9Very low140 Ų140128.5 Ų128.573%0.73374%0.741SS**  trans66.9144.8139.1-70.2166.6000123.6
415K28.2Very low32.8Very low180 Ų180133.8 Ų133.878%0.78375%0.745SS**  trans68.7147.9150.3-102.235.5-173.7179.10117.7
416V29.5Very low32.8Very low114 Ų114136.4 Ų136.469%0.69174%0.743SS**  cis-174.9173.2-28.3107.40000109.6
417E32.5Very low32.8Very low177 Ų177135.4 Ų135.483%0.82774%0.737SS**  trans77.1151.9164.8-78.1-119.582.400121.2
418P57.3Low32.7Very low106 Ų106140.9 Ų140.969%0.68874%0.741SS**  trans-118-168.4-179.344.4-30.6000112.9
419V30.8Very low33Very low130 Ų130142.1 Ų142.179%0.78874%0.739SS**  trans-149131.7150.2121.40000114.1
420N26.5Very low33.9Very low128 Ų128143.7 Ų143.768%0.68474%0.742SS**  trans-9.1139.6155.4-62.9-58.4000120.1
421V31.9Very low34.2Very low122 Ų122143.8 Ų143.874%0.73974%0.742SS**  cis70.1122.448-178.70000110.8
422P43.6Very low35.3Very low106 Ų106140.1 Ų140.169%0.68873%0.733SS**  -160.3150.280.842-19.7000122.6
423T28.9Very low35.5Very low109 Ų109143.3 Ų143.367%0.66974%0.738SS**  trans81.4138.3134.350.90000126.8
424K29.6Very low35.9Very low190 Ų190147.4 Ų147.483%0.82674%0.744SS**  trans75.3137.1143.5-75.8160.7-172.2171.10118.1
425R32.3Very low35.9Very low229 Ų229148.9 Ų148.986%0.86475%0.747SS**  cis-137.6139.3-0.9-87.2161.5171.5160.1-5.3108.6
426E29.8Very low36.1Very low141 Ų141146.1 Ų146.166%0.65975%0.751SS**  39.3122.898.7-161.7163.9-172.500115.3R428E426-R428 IonicContact OE1-CZ 2.7Å; E426-R428 IonicContact OE1-NE 3.49Å; E426-R428 PolarHBondContact OE1-NE 2.82Å; E426-R428 IonicContact OE1-NH2 3.59Å
427T31.4Very low36.2Very low120 Ų120146.8 Ų146.874%0.73676%0.76SS**  -164.1131.678.6-40.50000116.6
428R29.2Very low36.6Very low194 Ų194144.1 Ų144.173%0.73276%0.761SS**  trans16.6127.1148.7-49.3168.6-171.7-166.8-2.1124.2E426E426-R428 IonicContact OE1-CZ 2.7Å; E426-R428 IonicContact OE1-NE 3.49Å; E426-R428 PolarHBondContact OE1-NE 2.82Å; E426-R428 IonicContact OE1-NH2 3.59Å
429K36.5Very low35.6Very low198 Ų198143.8 Ų143.886%0.86176%0.761SS**  63.4160.3127.5-72.8-172.3177-177.80121.7
430P48.2Very low36Very low117 Ų117148.7 Ų148.776%0.7677%0.766SS**  cis-132.8-127.3-40.441.9-20.8000112.9
431P54.6Low36.6Very low112 Ų112153.7 Ų153.773%0.72778%0.775SS**  trans-125.8-143.4-145.443.6-19000112.4
432P51.4Low37.3Very low91 Ų91157.4 Ų157.459%0.59178%0.781SS**  cis-138-168.7-17.440.5-21.2000115.5
433K34.8Very low37.5Very low175 Ų175161.1 Ų161.176%0.76179%0.789SS**  trans73.3155.3160-63163.4-171.1168.20115.8
434R33.8Very low37.7Very low216 Ų216161.2 Ų161.282%0.81580%0.795SS**  cis-148.8171.8-8.8-128.6171.6-177.1173-1111.7
435Q33Very low38.2Very low172 Ų172160.3 Ų160.380%0.80480%0.798SS**  trans-62.4138.9-177.2-56.9137.4-67.300113.9
436S31.8Very low38.4Very low122 Ų122155 Ų15585%0.85379%0.791SS**  -176.4149.7110.851.40000110.6
437S32.2Very low38.6Very low128 Ų128155.6 Ų155.690%0.89580%0.798SS**  trans-154.6129.3166.2-167.50000109.2
438S40.4Very low38.7Very low120 Ų120154.2 Ų154.284%0.83979%0.793SS**  trans-109.5172-170-165.10000112.6
439S38.1Very low39.1Very low100 Ų100152.4 Ų152.470%0.69980%0.798SS**  trans-61127.9-163.9-166.70000115.9
440R38.7Very low39Very low233 Ų233150.9 Ų150.988%0.87979%0.793SS**  trans31.899.8139.5-59-176.2-179.6-164.4-1.3118.3
441R39.1Very low38.2Very low233 Ų233152.3 Ų152.388%0.87980%0.795SS**PPolyproline II helixtrans-52.6128.6155.9179.9177.9-172.3-177.25111.6
442K45.5Very low37.4Very low200 Ų200153.9 Ų153.987%0.8779%0.792SS**PPolyproline II helixtrans-78.8148.7155.1-77.9-171.1176.4-176.20109.1
443Q47.8Very low37.3Very low184 Ų184155 Ų15586%0.8680%0.8SS**PPolyproline II helixtrans-98.1141.3167.7-72.9175.6-59.700110.1
444S33Very low37.4Very low111 Ų111152.5 Ų152.578%0.77679%0.793SS**  trans-129.4143.9163.7-1690000106.9
445L40.4Very low37.6Very low171 Ų171149.4 Ų149.490%0.89579%0.792SS**  trans-100.8163.9170.1-84.9158.1000109.8
446V36.3Very low37.6Very low118 Ų118149.2 Ų149.272%0.71580%0.796SS**  trans-141.4151-167.9178.50000108.6
447N33.9Very low38Very low153 Ų153148.4 Ų148.482%0.81879%0.789SS**  trans150150.7150.2-77.9-6.2000110.8
448S34.9Very low38.9Very low90 Ų90148.2 Ų148.263%0.62979%0.785SS**  cis-170.7134.1-23.2-171.60000111.7
449L36.7Very low38.5Very low157 Ų157149.5 Ų149.582%0.82278%0.782SS**  trans54.6146.9147.6-78.7167.2000125
450Q35.2Very low38.2Very low165 Ų165152.6 Ų152.677%0.77179%0.791SS**  trans74145.4163.2-50.2-144.3-114.900117.3
451D31.7Very low38.2Very low147 Ų147145.7 Ų145.779%0.78678%0.778SS**  cis-137.2177.510-101.8-37.3000114
452E36.6Very low37.9Very low145 Ų145142.7 Ų142.768%0.67877%0.772SS**  trans-106.9163.5176.7-148.1-156.1129.900112.2I454E452-I454 VanDerWaalsContact OE1-CG1 3.23Å; E452-I454 WeakPolarHBondContact OE1-CG1 3.26Å; E452-I454 PolarHBondContact OE1-N 3.23Å
453P50.4Low37.4Very low116 Ų116141.5 Ų141.575%0.75377%0.767SS**  -156.7135.595.137.8-17.3000119.1
454I35.5Very low36.5Very low122 Ų122139 Ų13963%0.62676%0.759SS**  48.7114.2120.8-57.1-175.2000121.3E452E452-I454 VanDerWaalsContact OE1-CG1 3.23Å; E452-I454 WeakPolarHBondContact OE1-CG1 3.26Å; E452-I454 PolarHBondContact OE1-N 3.23Å
455L38.8Very low36.6Very low150 Ų150139 Ų13979%0.78576%0.759SS**  trans48.6130.2143.9-64172.6000123.1
456L31.8Very low36.3Very low168 Ų168134 Ų13488%0.8875%0.75SS**  -163.1139.8106.2-106.9170.6000112
457C40.5Very low36.5Very low105 Ų105135 Ų13571%0.70976%0.756SS**  trans-121.3152.9170.5-62.70000109.7
458P51.2Low36.5Very low124 Ų124131.7 Ų131.781%0.80575%0.749SS**  trans-113.3136.1154.234.8-25.5000111.4
459D33.4Very low36.6Very low148 Ų148132.3 Ų132.379%0.79175%0.754SS**  trans-69.9160.8172.8-59.5-83.9000112.8
460N31.4Very low36.3Very low165 Ų165131.2 Ų131.288%0.88275%0.749SS**  -156133.7122.6-102.5-42.7000111.2
461S38.2Very low36.2Very low88 Ų88129.5 Ų129.562%0.61575%0.749SS**  trans-87.2164.6175.246.50000111.5
462F31.9Very low36.4Very low170 Ų170126.7 Ų126.775%0.74674%0.741SS**  169.9121.9115.4-106.3-106.5000111.2
463F34.8Very low36.2Very low175 Ų175126 Ų12677%0.76875%0.747SS**  trans50.9155.3140.5-71.5-109.3000121.1
464D28.9Very low35.3Very low130 Ų130125.4 Ų125.470%0.69575%0.746SS**  cis-174.5161.3-18.8175.134000109
465S37Very low35.2Very low111 Ų111127.8 Ų127.878%0.77675%0.754SS**  trans61.3145.1173.172.90000115.7
466G32.6Very low34.8Very low67 Ų67126.3 Ų126.369%0.69175%0.747SS**  cis124150.138.700000106.8
467V40.3Very low35Very low139 Ų139124.1 Ų124.184%0.84274%0.741SS**  cis-155.61652.7-72.90000109.4
468A34Very low34.8Very low83 Ų83128.3 Ų128.369%0.68674%0.741SS**  trans44.9130.3145.600000123
469S36.7Very low33.9Very low103 Ų103129.6 Ų129.672%0.7274%0.737SS**  61.8151.4119.3-68.90000122.2
470D30.9Very low34Very low135 Ų135126.1 Ų126.172%0.72273%0.729SS**  cis-159.7179.4-5.1-121.4-51.7000113.5
471V34Very low33.8Very low129 Ų129125.3 Ų125.378%0.78272%0.724SS**  trans-7.8156.7143.5139.10000119
472S36.1Very low33.5Very low88 Ų88125.9 Ų125.962%0.61573%0.728SS**  cis173.8157.9-22.5175.90000109.2
473T32.4Very low33.7Very low131 Ų131123.3 Ų123.380%0.80473%0.726SS**  trans66164.71684.70000114.6
474S30.4Very low33.5Very low103 Ų103121.8 Ų121.872%0.7272%0.722SS**  cis-161.6137.36.939.30000107.3
475Q33.5Very low33.6Very low172 Ų172123 Ų12380%0.80472%0.723SS**  78.4123.378.6178.1158.14.300118.5
476D30.6Very low33.5Very low118 Ų118124.7 Ų124.763%0.63172%0.719SS**  trans92.2161.4149.5-112.6-55.7000124.8
477V36.6Very low33.6Very low123 Ų123128.4 Ų128.475%0.74572%0.718SS**  trans71.7113171.8-1630000115.5
478R36.3Very low33.1Very low193 Ų193127.9 Ų127.973%0.72871%0.706SS**  71.2155.558.7-61.7-145.7-136169.96.2113.9
479E31.7Very low32.8Very low151 Ų151131.3 Ų131.371%0.70671%0.706SS**  cis-162.1170.2-3.4-119160.6-176.600106.3
480A34.8Very low32.8Very low75 Ų75134.5 Ų134.562%0.6271%0.709SS**  cis-161.2-156.90.500000109.8
481N27.3Very low32.4Very low148 Ų148131.5 Ų131.579%0.79171%0.711SS**  trans76.1124.6165.6-51.9-15.4000117.7
482S33Very low32.6Very low100 Ų100131.1 Ų131.170%0.69971%0.714SS**  cis86.7151.230.990.20000114.2
483T34.8Very low33.4Very low115 Ų115132.1 Ų132.171%0.70672%0.718SS**  cis-148.9163.521.7-47.10000111.5
484E30.7Very low33.3Very low143 Ų143134 Ų13467%0.66872%0.718SS**  trans143.9150.7140.1-78-72.474.600112.7
485Q32.1Very low33.5Very low156 Ų156140.1 Ų140.173%0.72973%0.725SS**  cis-132.1-112-0.5-165162.281.800112.3
486Q33.7Very low33.3Very low147 Ų147139.5 Ų139.569%0.68772%0.722SS**  trans-131.7-170.6-174.1-53.9173.426.600109.2
487Q35.4Very low33.4Very low145 Ų145140.5 Ų140.568%0.67873%0.727SS**  cis-163.2159.95.3-142.8-172.276.800105.6
488H31.1Very low33.3Very low128 Ų128143 Ų14359%0.59372%0.724SS**  cis-144.4-146.3-6.3-134.3-13.4000104.4
489F27.5Very low33Very low155 Ų155140.3 Ų140.368%0.6872%0.718SS**  cis-168166.7-20.6-114.7-24.7000104.4
490Q34.9Very low33.1Very low169 Ų169141.8 Ų141.879%0.7972%0.722SS**  cis-165.4149.1-17.6-170.3177.510.500107.2
491G24.4Very low33.2Very low73 Ų73144.3 Ų144.375%0.75373%0.73SS**  trans132.4129.9164.700000116
492S37Very low34.2Very low121 Ų121142.4 Ų142.485%0.84673%0.726SS**  trans-125.5-171.9-175.3-46.20000109.6
493P52.6Low34.2Very low108 Ų108144.8 Ų144.870%0.70173%0.729SS**  cis-141.9167.81.241.2-21.1000119
494E31.5Very low34.7Very low171 Ų171148.9 Ų148.980%0.79974%0.737SS**  trans47116.8138.7-65.6172.917700124.5
495R33.2Very low34.8Very low231 Ų231147.8 Ų147.887%0.87275%0.745SS**  178.2131.6101.8-95.1178.5172.6164.1-0.7109
496E31.1Very low34.8Very low160 Ų160148.9 Ų148.975%0.74875%0.75SS**  64.4119.252.4-71.7-149153.900114.8
497L32.2Very low35Very low139 Ų139145.4 Ų145.473%0.72874%0.742SS**  cis-128.9-129.6-11.2-54.995.2000109.5
498Y33.9Very low34.9Very low176 Ų176147.1 Ų147.169%0.6975%0.749SS**  cis-157.4142-0.7-161.2-124.9000112.7
499F29.6Very low35.2Very low135 Ų135149.5 Ų149.559%0.59277%0.765SS**  trans37120.3154.5-86.5-130.8000125
500K34Very low35.3Very low182 Ų182147.2 Ų147.279%0.79177%0.769SS**  56.5141.3122.3-67.4-176.2179173.20123.7
501T37.1Very low35.3Very low129 Ų129143.7 Ų143.779%0.79176%0.763SS**  trans-75.6-174.8168.456.60000111.6
502P47.4Very low35.7Very low108 Ų108145.6 Ų145.670%0.70177%0.765SS**  cis-152.4-16618.238.5-11.5000118.9
503I34.8Very low35.7Very low149 Ų149145 Ų14576%0.76476%0.756SS**  trans59103.7159.4-34.7-174000122.7
504K45.4Very low35.8Very low202 Ų202144.7 Ų144.788%0.87875%0.754SS**  trans2.1119.3133.3-175.8-175.8-176-178.60120.1
505S32.9Very low35.9Very low119 Ų119141.1 Ų141.183%0.83275%0.748SS**  trans-153167.3158.269.70000115
506H31.6Very low35.9Very low179 Ų179139.4 Ų139.483%0.82975%0.747SS**  trans-72.5127.1-161.2-91.6-103.4000118.7
507S36.6Very low37Very low74 Ų74137.1 Ų137.152%0.51775%0.746SS.*  43.4140.1127.360.70000124.3
508H34.3Very low37.9Very low182 Ų182136 Ų13684%0.84375%0.747SS**  trans97.6118.7155.9-53.7-68.5000119.4
509L36.9Very low38.9Very low177 Ų177132.7 Ų132.793%0.92775%0.747SS**  trans-149.1146.6142.5-106.6174.5000110
510S30.3Very low39Very low108 Ų108133.4 Ų133.476%0.75576%0.757SS**  trans-72.1147.2-179.9-59.30000111.4
511S34.5Very low38.9Very low95 Ų95130.5 Ų130.566%0.66475%0.754SS**  cis69.610148.5-177.40000115.4
512S31.8Very low38.6Very low113 Ų113129.2 Ų129.279%0.7975%0.746SS**  trans-162134.7133.4-77.80000109.8
513T38.1Very low37.9Very low108 Ų108131.4 Ų131.466%0.66375%0.751SS**  cis78.3153.518.881.30000115.6
514P55.2Low37.8Very low102 Ų102131.3 Ų131.366%0.66275%0.747SS**  cis-149.3168-33.536.8-17.4000117.3
515S33.3Very low38.1Very low95 Ų95125.9 Ų125.966%0.66473%0.733SS**  trans52.9155.8133.377.60000126
516K32.9Very low38.1Very low196 Ų196129.7 Ų129.785%0.85273%0.729SS**  trans114.9152.1135.5-87.3173.8177.6176.20120.2
517P54.3Low38.4Very low111 Ų111129.1 Ų129.172%0.72172%0.724SS**  trans-108.7-155.1-179.347.8-36.5000110.1
518P51.6Low38.5Very low117 Ų117131 Ų13176%0.7673%0.733SS**  cis-127.4-120.4-2.8271.1000115.4
519P53.4Low38.5Very low105 Ų105128 Ų12868%0.68273%0.727SS**  -124.4150.7-105.838.2-22.3000116.7
520N31.7Very low39.3Very low150 Ų150124.5 Ų124.580%0.80272%0.715SS**  trans-174139.3153.5-104.7-25.8000109.7
521V33.1Very low39.4Very low122 Ų122126.6 Ų126.674%0.73972%0.723SS**  62.4128.794.1166.40000113.2
522T29.6Very low39.3Very low102 Ų102125.3 Ų125.363%0.62673%0.725SS**  cis-172.1144.1-4.4-97.10000110.5
523L33.6Very low39.6Very low153 Ų153128.4 Ų128.480%0.80172%0.724SS**  trans61.8138.1169.3-64.8162.3000117.8
524E33Very low39.3Very low147 Ų147129.4 Ų129.469%0.68773%0.725SS**  70.3144.955.6-90.7-73.6130.900112.8W526E524-W526 PolarHBondContact OE2-N 2.85Å
525P52.1Low38.4Very low89 Ų89128 Ų12858%0.57873%0.73SS**  -156.2146.381.443.3-23.2000121
526W32.5Very low38.6Very low198 Ų198132.7 Ų132.775%0.7574%0.741SS**  trans83.9135.2152.4-44.9124.3000116.1E524E524-W526 PolarHBondContact OE2-N 2.85Å
527K37.5Very low38.5Very low168 Ų168129.1 Ų129.173%0.7374%0.74SS**  cis-165.9168.50-100.1161.3-169.6164.90105.8
528V38Very low37.6Very low114 Ų114129.8 Ų129.869%0.69174%0.742SS**  cis-158.3132.37.7104.60000105.7
529T35.3Very low36.8Very low117 Ų117131.5 Ų131.572%0.71874%0.744SS**  74.7131.480.2-530000114.2
530P52.6Low36Very low105 Ų105132.7 Ų132.768%0.68275%0.745SS**  cis-147.8-177.4-19.242.6-23.9000118
531V33.3Very low36.2Very low151 Ų151134.2 Ų134.292%0.91575%0.745SS**  trans69.3144.9143.5154.80000119.5
532G33.2Very low36.4Very low69 Ų69133.5 Ų133.571%0.71175%0.745SS**  cis-178.7-168.5-2.200000113.7
533K37.7Very low37.4Very low178 Ų178134 Ų13477%0.77475%0.75SS**  trans-137.6157.7-162.4-125176.1162.4-84.60113.2
534D31.7Very low37.6Very low128 Ų128133.4 Ų133.468%0.68475%0.746SS**  trans36.5114.4151.5-46.9-25.3000121.7
535G35.9Very low37.9Very low73 Ų73137 Ų13775%0.75375%0.754SS**  88.1100.3124.100000122.8
536Q37.7Very low37.6Very low194 Ų194138.3 Ų138.391%0.90776%0.76SS**  trans76.1143.1145.8-72.7175.7-48.900122.3
537S31.5Very low38Very low120 Ų120135.1 Ų135.184%0.83977%0.765SS**  trans70.7150.617681.10000116.1
538V34.3Very low37.6Very low125 Ų125130.3 Ų130.376%0.75876%0.763SS**  cis-165.8146.2-33.5123.70000105.8
539L35.1Very low37.2Very low154 Ų154128.5 Ų128.581%0.80677%0.767SS**  trans67150.5-173.2-63.1172.1000114.9
540D36.3Very low38.2Very low130 Ų130128.6 Ų128.670%0.69577%0.77SS**  cis-163.9-166.3-30.2-151-23.8000109.4
541F36.5Very low37.3Very low181 Ų181130 Ų13079%0.79478%0.776SS**  trans85.3109.5166.1-77.5-76.2000120.3
542S36.8Very low37.3Very low107 Ų107129 Ų12975%0.74877%0.77SS**  trans95.5147.9138.2-62.60000119.7
543P50.9Low37.8Very low113 Ų113131.7 Ų131.773%0.73477%0.773SS**  trans-128.8-168.5-154.333.2-10.2000114.5
544I38.5Very low37.9Very low140 Ų140128.9 Ų128.972%0.71877%0.773SS**  trans121.5110.8151.9-64.1165.7000115.3
545R38.4Very low37.8Very low223 Ų223132.9 Ų132.984%0.84278%0.778SS**  trans59.7136.2154.4-65.6172178.9177.7-1.6117.6
546T44.8Very low37.5Very low116 Ų116137.9 Ų137.971%0.71278%0.782SS**  cis66.3155.534.484.60000113.3
547P41.4Very low37.4Very low132 Ų132135.3 Ų135.386%0.85777%0.77SS**  cis-75.8158.824.631.9-37.7000114.3
548G29.1Very low37.4Very low66 Ų66138.7 Ų138.768%0.6877%0.766SS**  cis130.5106.64.200000109.8
549G30.3Very low37.4Very low76 Ų76138.3 Ų138.378%0.78476%0.764SS**  trans-99.1-107.7-168.800000115
550P55.8Low37.8Very low120 Ų120137.1 Ų137.178%0.77976%0.763SS**  -140.4-177-112.343.3-27.7000116
551V34.6Very low37.7Very low133 Ų133140.1 Ų140.181%0.80677%0.771SS**  trans77162.7155.7163.70000116.8
552V33.4Very low37.7Very low132 Ų132136.3 Ų136.380%0.877%0.766SS**  trans86.8114-179.4-165.40000115.9
553T43.1Very low37.5Very low125 Ų125139.5 Ų139.577%0.76777%0.767SS**  trans-82.7160.5167.945.70000111.3
554P39.8Very low36.4Very low118 Ų118140.6 Ų140.677%0.76677%0.766SS**  -141132115.135.2-22.4000115.6
555R29.6Very low36.2Very low213 Ų213138.9 Ų138.980%0.80477%0.767SS**  20.7113.1128-176.1-161.4-172.7-169.24117.9
556Q30.5Very low36.4Very low177 Ų177134.7 Ų134.783%0.82777%0.767SS**  -160.9164119.7-111.7161.1-14.700112.4
557E34.8Very low36.7Very low141 Ų141134 Ų13466%0.65976%0.764SS**  trans-108.8-165.6-170.4-62156.8127.600110.8
558Y32.1Very low36.3Very low191 Ų191136 Ų13675%0.74976%0.76SS**  trans93.1129.9162.3-54.9-77.2000120.4
559T34.1Very low36.7Very low117 Ų117140.7 Ų140.772%0.71876%0.761SS**  trans66131.9171.676.50000114.7
560T42.6Very low36.9Very low129 Ų129144.4 Ų144.479%0.79176%0.758SS**  cis70.486.622.4-41.10000114.5
561F35.6Very low36Very low193 Ų193146.2 Ų146.285%0.84676%0.76SS**  trans-143.4152.2141.7-94.2-68.3000111.8
562S35.8Very low36.7Very low101 Ų101144.7 Ų144.771%0.70675%0.753SS**  trans-112-161.3174-170.80000108.4
563F32.3Very low36.7Very low174 Ų174145.2 Ų145.276%0.76375%0.751SS**  trans72.8161.9178.6-55-75.9000115.2
564N28.7Very low36.2Very low135 Ų135147.6 Ų147.672%0.72275%0.751SS**  cis-172.5157.2-45-145.111.5000106.4
565S34.1Very low35.8Very low104 Ų104146.8 Ų146.873%0.72775%0.748SS**  trans66.5154.5156.1-53.10000120
566T41.8Very low36.1Very low136 Ų136141.6 Ų141.683%0.83474%0.744SS**  trans-94.2150.1177.948.60000113.2
567P50.6Low36.8Very low100 Ų100139 Ų13965%0.64974%0.743SS**  trans-119.6164.1150.542.3-32.7000110.3
568F33.1Very low36.9Very low176 Ų176142 Ų14277%0.77275%0.748SS**  cis-128.3151.47.1-81.3-86.9000108.5
569K38.3Very low37Very low163 Ų163139.7 Ų139.771%0.70974%0.744SS**  49.213680.6-75.9166.2158.9-100.60113.2
570E33.4Very low37Very low154 Ų154141.6 Ų141.672%0.7275%0.749SS**  cis-149.4-169.117.7-144.4130.2-122.800114.3
571L37.7Very low36.4Very low159 Ų159143 Ų14383%0.83275%0.751SS**  trans-112.4-179.7-162.8-89.7170.5000112.2
572P48.3Very low36.1Very low100 Ų100140.2 Ų140.265%0.64975%0.749SS**  cis-142.4-167-16.330.6-6000115.9
573L34.8Very low36.4Very low143 Ų143141.5 Ų141.575%0.74976%0.755SS**  trans104.1138.4139.7-80.4175.3000123
574F33Very low36.1Very low176 Ų176137.5 Ų137.577%0.77276%0.755SS**  trans67.795.1160.8-79.4-67.6000123.7
575S31.2Very low37.1Very low101 Ų101136.5 Ų136.571%0.70676%0.756SS**  65.3123.312460.30000123.2
576S34.4Very low36.7Very low103 Ų103137.2 Ų137.272%0.7276%0.759SS**  trans-64.6159.5150.7175.40000112
577P46.4Very low36.1Very low123 Ų123142.2 Ų142.280%0.79976%0.763SS**  -137.9-177.7112.439.2-28.3000115.1
578R36.7Very low35Very low205 Ų205141.5 Ų141.577%0.77477%0.766SS**  trans-92.5164.6-178.6-73.6164.2101.3129.2-1.6113
579E34.6Very low35.8Very low141 Ų141138.3 Ų138.366%0.65976%0.763SS**  trans54.3132.4141.5-69.2154.6-144.900120.2
580L32.8Very low36.1Very low157 Ų157136.1 Ų136.182%0.82277%0.765SS**  167.5164.6111.7-85.5172.7000112.9
581L30.9Very low35.8Very low160 Ų160134.1 Ų134.184%0.83876%0.763SS**  trans75105.7162.3-48.3-169.4000121.2
582T29.8Very low35.3Very low133 Ų133134.3 Ų134.382%0.81677%0.765SS**  trans-85.3164.3131.73.90000108.8
583P41.1Very low34.3Very low128 Ų128134.7 Ų134.783%0.83177%0.77SS**  cis-140.1-169.447.338.5-16.4000116.3
584A27.5Very low34.8Very low91 Ų91133.2 Ų133.275%0.75277%0.769SS**  trans-93.3-158.9179.700000111.4
585P48.7Very low34.6Very low114 Ų114129.8 Ų129.874%0.7476%0.763SS**  cis-134.3-179.6-13.842-26.1000114.5
586C26.2Very low34.5Very low119 Ų119132.9 Ų132.980%0.80477%0.766SS**  trans177.9133.2136.8-1000000117.6
587R28.7Very low34.2Very low240 Ų240132.5 Ų132.591%0.90676%0.759SS**  60.4124.1126.1-155.9172-167.8154.42.4122.8
588A26.8Very low33.5Very low86 Ų86134.6 Ų134.671%0.71176%0.759SS**  trans-121.1-167.3156.400000109
589P50.2Low33.2Very low109 Ų109132 Ų13271%0.70876%0.76SS**  cis-110.5-159.8-28.139.8-23.2000110.4
590P44.5Very low33Very low117 Ų117129 Ų12976%0.7676%0.758SS**  -125.9157.768.96.518.8000113.3
591T28Very low32.9Very low111 Ų111129.6 Ų129.668%0.68176%0.762SS**  81110.858.7-44.90000114.4
592D27.4Very low32.9Very low164 Ų164126.2 Ų126.288%0.87776%0.758SS**  -173.2160.3126.4-96-16.8000113
593S27.3Very low33.2Very low108 Ų108126.1 Ų126.176%0.75576%0.759SS**  trans-142.4-178.8-179.473.60000108.3
594P44.9Very low32.6Very low111 Ų111124.9 Ų124.972%0.72176%0.76SS**  cis-131.8-15030.428.50.3000111.7
595T28.7Very low32.8Very low104 Ų104125.5 Ų125.564%0.63877%0.765SS**  cis-162.9143.617.9-27.10000112.9
596E28.5Very low32.1Very low167 Ų167125.4 Ų125.478%0.7877%0.767SS**  trans56.5158.5148.6-85.317713000121.8
597T29Very low32.5Very low94 Ų94125.7 Ų125.758%0.57777%0.767SS**  cis-154.51485.6-2.80000111.2
598Q30.9Very low32.8Very low168 Ų168119.9 Ų119.979%0.78576%0.764SS**  trans60.8161.2150.3-66.6175.629.300117.9
599L30.7Very low33.2Very low151 Ų151123.4 Ų123.479%0.79177%0.771SS**  cis-165.6157.7-15.5-101.4166.9000105.1
600A30.3Very low32.6Very low76 Ų76129.9 Ų129.963%0.62878%0.781SS**  cis-160.4178-2.400000110.7
601D30Very low32Very low170 Ų170129.3 Ų129.391%0.90978%0.78SS**  trans64.4155.1158.9-84.3-36.5000122.9
602A31.1Very low32.6Very low90 Ų90131.2 Ų131.274%0.74478%0.784SS**  trans-123.4-166-179.400000109
603P37.2Very low33Very low130 Ų130129.9 Ų129.984%0.84478%0.782SS**  cis-128.2-177.724.641.6-23.8000115.4
604A28.6Very low33.9Very low103 Ų103133.9 Ų133.985%0.85179%0.789SS**  trans-92.5156.9-17700000114.5
605A31Very low33.4Very low103 Ų103131.8 Ų131.885%0.85179%0.788SS**  trans-155145.8144.200000109.7
606S33.4Very low33.8Very low112 Ų112135.3 Ų135.378%0.78380%0.802SS**  trans-99.7152.3-177.452.30000113.1
607P35.9Very low34.6Very low125 Ų125134.3 Ų134.381%0.81280%0.8SS**  trans-107.1136.4153.334.5-27.4000111.3
608S33.7Very low35Very low119 Ų119136.9 Ų136.983%0.83281%0.809SS**  trans-75.1146.1-179.9-59.50000113.3
609N35.3Very low35.4Very low160 Ų160135.6 Ų135.686%0.85681%0.808SS**  trans-58.8137.7179.6-60.1-75.2000114.5
610R37.7Very low36.4Very low245 Ų245134.9 Ų134.993%0.92581%0.81SS**  trans-146118.3136.6-74.2-158.1172.8-180-2.1111.2
611S32.9Very low36.8Very low105 Ų105137 Ų13773%0.73481%0.808SS**  trans-70.6145.9165.447.10000109.9
612I39.2Very low37.6Very low150 Ų150134.9 Ų134.977%0.76980%0.797SS**  61.2105.258.8-53.7168.5000112.4
613T37.1Very low38.3Very low137 Ų137137.5 Ų137.584%0.8480%0.799SS**  -169.3100.4124.423.10000111.9
614E44.8Very low38.6Very low191 Ų191136.4 Ų136.489%0.89379%0.794SS**  trans-70.5154130.9-64.5-174.3158.800106.2
615G35.4Very low39.3Very low68 Ų68135.3 Ų135.370%0.70177%0.773SS**  cis130.751.92500000108.3
616L37.5Very low39.7Very low177 Ų177135.2 Ų135.293%0.92777%0.767SS**  trans-76.8148.6-174-76.4177.2000112.5
617I44.6Very low40.3Very low147 Ų147138.8 Ų138.875%0.75477%0.768SS**  trans-90.7127.7-167.4-63.7165.7000110.5D619I617-D619 HydrophobicContact CG2-CB 3.62Å
618L37.2Very low40.5Very low147 Ų147137.8 Ų137.877%0.7776%0.755SS**  trans-101.790.2164.6-72.5173.3000109.4
619D39.9Very low41Very low142 Ų142140.1 Ų140.176%0.75976%0.757SS**  trans-123.544.6179.6-164.722.3000111.6I617I617-D619 HydrophobicContact CG2-CB 3.62Å
620T50.7Low41.1Very low135 Ų135136.9 Ų136.983%0.82874%0.743SS**  trans-146.339.2176.447.60000112.3
621M39.8Very low40.9Very low120 Ų120132 Ų13259%0.59174%0.735SS**  trans-118.6140.5178.1-70.9-17965.500112.6L625M621-L625 HydrophobicContact CE-CD1 3.42Å; M621-L625 VanDerWaalsContact CE-CD1 3.42Å
622N46.7Very low40.9Very low126 Ų126132.7 Ų132.767%0.67473%0.73SS**  trans-73149.5-171.8-163.5-1.7000112.1S624 L625N622-S624 PolarHBondContact O-N 3.41Å; N622-L625 PolarHBondContact O-N 3.39Å
623D45.4Very low40.7Very low145 Ų145130.3 Ų130.378%0.77573%0.726SS**THydrogen-bonded Turntrans-57.4-6.2-168.4-87.2-49.1000116.4
624S43.8Very low40.3Very low108 Ų108132.8 Ų132.876%0.75573%0.725SS**THydrogen-bonded Turntrans-83.3-5.6-177.7-56.70000115.3N622N622-S624 PolarHBondContact O-N 3.41Å
625L42.8Very low39.9Very low79 Ų79129.4 Ų129.441%0.41472%0.723SS.*  trans-110.50.3-172-69.3172.5000115.3M621 N622 K627 I628M621-L625 HydrophobicContact CE-CD1 3.42Å; M621-L625 VanDerWaalsContact CE-CD1 3.42Å; N622-L625 PolarHBondContact O-N 3.39Å; L625-K627 PolarHBondContact O-N 3.37Å; L625-I628 HydrophobicContact CD2-CD1 4.01Å; L625-I628 PolarHBondContact O-N 2.87Å
626S40.2Very low39.7Very low102 Ų102130.4 Ų130.471%0.71373%0.725SS**THydrogen-bonded Turntrans-68.527.4-176.5-43.20000115.8
627K46.1Very low39.9Very low187 Ų187129.7 Ų129.781%0.81372%0.721SS**THydrogen-bonded Turntrans-138.5-6.3-177.5-82.1-169.7174.6-177.90115.4L625 L629L625-K627 PolarHBondContact O-N 3.37Å; K627-L629 PolarHBondContact O-N 3.18Å; K627-L629 VanDerWaalsContact O-N 3.07Å
628I39.4Very low39.4Very low104 Ų104130.8 Ų130.853%0.53373%0.729SS.*  trans-81.589174.9-52.1-179.3000108.5L625 V630L625-I628 HydrophobicContact CD2-CD1 4.01Å; L625-I628 PolarHBondContact O-N 2.87Å; I628-V630 HydrophobicContact CG2-CG2 3.85Å; I628-V630 PolarHBondContact O-N 3.46Å
629L44.3Very low39.8Very low168 Ų168131 Ų13188%0.8873%0.731SS**  trans-80103.3165.9-76.6168.4000108.5K627K627-L629 PolarHBondContact O-N 3.18Å; K627-L629 VanDerWaalsContact O-N 3.07Å
630V37.3Very low39.9Very low92 Ų92133 Ų13356%0.55874%0.735SS**  trans-89.3110.5166.5-171.40000107.2I628 I632I628-V630 HydrophobicContact CG2-CG2 3.85Å; I628-V630 PolarHBondContact O-N 3.46Å; V630-I632 HydrophobicContact CG1-CD1 4.19Å; V630-I632 HydrophobicContact CG1-CG1 3.88Å
631D33Very low39.3Very low141 Ų141133.4 Ų133.475%0.75473%0.732SS**  trans-94.2125173.2-155.1-22.7000108.7
632I34.3Very low39.3Very low121 Ų121135 Ų13562%0.62174%0.743SS**  trans-121.586.7-177.3-53.7-178.9000107.6V630 F634V630-I632 HydrophobicContact CG1-CD1 4.19Å; V630-I632 HydrophobicContact CG1-CG1 3.88Å; I632-F634 HydrophobicContact CG2-CD2 4.2Å; I632-F634 HydrophobicContact CG2-CE2 3.78Å; I632-F634 PolarHBondContact O-N 3.38Å
633S33.6Very low38.9Very low99 Ų99132.5 Ų132.569%0.69275%0.746SS**  trans-75.9114.6-179.4-47.50000111.1
634F30.7Very low38.5Very low189 Ų189133.4 Ų133.483%0.82975%0.749SS**  trans-94.9114164.3-78.5-90.6000109.3I632I632-F634 HydrophobicContact CG2-CD2 4.2Å; I632-F634 HydrophobicContact CG2-CE2 3.78Å; I632-F634 PolarHBondContact O-N 3.38Å
635S35.5Very low38.1Very low120 Ų120132.3 Ų132.384%0.83975%0.747SS**  trans-101.1105.8173.5-62.30000110.2
636A32.1Very low37.7Very low90 Ų90136.7 Ų136.774%0.74477%0.77SS**  trans-153.6134.1168.500000109.8
637L40Very low37.7Very low162 Ų162139.7 Ų139.785%0.84878%0.777SS**  trans64.787.8176.9-55.4175.5000116
638D34.3Very low37Very low170 Ų170134.7 Ų134.791%0.90977%0.765SS**  -157.599.3122.2-98.7-24.5000107.7
639D45.3Very low37.1Very low152 Ų152136.5 Ų136.581%0.81378%0.776SS**  trans-106120.8164.2-82.4-59.3000107.1
640E42.3Very low36.8Very low184 Ų184133.1 Ų133.186%0.8677%0.766SS**  trans-172.495149.9-90.9-50.879.200108.4
641D39.6Very low37Very low142 Ų142137.2 Ų137.276%0.75978%0.779SS**  trans32106.8146.6-107.82.2000121
642L38.2Very low37.5Very low155 Ų155139.3 Ų139.381%0.81278%0.781SS**  166.4113.495.4-93.3153.9000115.7
643G39.5Very low37.8Very low73 Ų73140.8 Ų140.875%0.75379%0.79SS**  83.374.8122.600000121.5
644I35.8Very low38.2Very low164 Ų164139.5 Ų139.584%0.84179%0.792SS**  trans-132125.4146.2-64.389.7000110.1
645A35.2Very low38.6Very low84 Ų84138.8 Ų138.869%0.69479%0.792SS**  trans29.3115.2162.200000120.4I647A645-I647 PolarHBondContact O-N 3.22Å
646N35.5Very low38.6Very low171 Ų171143.4 Ų143.491%0.91480%0.797SS**  trans-57.5123.8156.7-81.2-24.6000111
647I39.7Very low38.7Very low165 Ų165151.9 Ų151.985%0.84682%0.824SS**  trans-111.5120.3151.850171.5000107.6A645 L649A645-I647 PolarHBondContact O-N 3.22Å; I647-L649 PolarHBondContact O-N 3.08Å
648S32.5Very low38.7Very low82 Ų82151.4 Ų151.457%0.57382%0.823SS**  trans-79.9124.5-171.4-170.90000111.3S650 E651S648-S650 WeakPolarHBondContact CB-OG 3.35Å; S648-S650 PolarHBondContact O-N 3.21Å; S648-S650 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact OG-OG 3.45Å; S648-E651 PolarHBondContact O-N 2.87Å
649L40.3Very low38.9Very low143 Ų143150.4 Ų150.475%0.74982%0.819SS**G310 helixtrans-67.7-8.7178.4-148136.3000112.8I647 E651 F652I647-L649 PolarHBondContact O-N 3.08Å; L649-E651 PolarHBondContact O-N 2.9Å; L649-F652 PolarHBondContact O-N 3.07Å
650S38.8Very low38.6Very low96 Ų96150.3 Ų150.367%0.67182%0.819SS**G310 helixtrans-65.1-19.1176.261.10000115S648S648-S650 WeakPolarHBondContact CB-OG 3.35Å; S648-S650 PolarHBondContact O-N 3.21Å; S648-S650 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact OG-OG 3.45Å
651E41.3Very low38.3Very low178 Ų178148.3 Ų148.383%0.83282%0.816SS**G310 helixtrans-83.8-12.8-177.8-160.4164.4-154.800112.9S648 L649S648-E651 PolarHBondContact O-N 2.87Å; L649-E651 PolarHBondContact O-N 2.9Å
652F42.2Very low38.3Very low185 Ų185148.7 Ų148.781%0.81182%0.82SS**THydrogen-bonded Turntrans-90.2-5.2-172.9-156.4-100.9000115.1L649L649-F652 PolarHBondContact O-N 3.07Å
653L40.9Very low38.3Very low153 Ų153148.3 Ų148.380%0.80182%0.821SS**THydrogen-bonded Turntrans-118.118.7-176.3-67.9175000113.7
654G42Very low38.2Very low72 Ų72153.6 Ų153.674%0.74283%0.825SS**SBendtrans-90.86.2-173.100000117.2
655Q39.6Very low38.4Very low174 Ų174152.8 Ų152.881%0.81382%0.824SS**  trans-150.761.9-166.5-158.3159.839.700116.8
656F36.5Very low38.6Very low217 Ų217158.6 Ų158.695%0.95284%0.835SS**  trans-145.399.7153-82.3-68000111.7
657M34.3Very low38.9Very low267 Ų267157.5 Ų157.5100%1.31583%0.828SS**  trans-104.90140.9-96.6-164.9-178.400107.3

Retrieved 657 of 657 residues in 626.1 ms (Link to these results)