A0A3Q0KK55_SCHMA Loading...

Putative nuclear protein SkiP

AlphaFold DB , UniProt , Accession A0A3Q0KK55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 542 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M44.9Very low58.9Low239 Ų239135 Ų135100%1.17779%0.79SS**  0100.80-66.3-68.9-139.400107.1L3M1-L3 PolarHBondContact O-N 3.08Å
2S46.1Very low57.9Low99 Ų99139.6 Ų139.669%0.69280%0.798SS**  trans-73.8117.6-165.4-176.90000111.9L4S2-L4 PolarHBondContact O-N 2.98Å; S2-L4 VanDerWaalsContact O-N 3.13Å
3L58.8Low57.3Low141 Ų141143.4 Ų143.474%0.73880%0.8SS**G310 helixtrans-66.1-0.4174.7-86.9154.9000114M1 G5M1-L3 PolarHBondContact O-N 3.08Å; L3-G5 VanDerWaalsContact C-N 3.27Å; L3-G5 PolarHBondContact O-N 3.33Å
4L60.3Low56Low151 Ų151137.8 Ų137.879%0.79179%0.791SS**G310 helixtrans-74.1-11.2178-100.980.2000114.2S2S2-L4 PolarHBondContact O-N 2.98Å; S2-L4 VanDerWaalsContact O-N 3.13Å
5G66.3Low54.9Low73 Ų73136.3 Ų136.375%0.75379%0.792SS**G310 helixtrans-89.5-4.4-177.100000116.1L3L3-G5 VanDerWaalsContact C-N 3.27Å; L3-G5 PolarHBondContact O-N 3.33Å
6Q64.2Low53.9Low162 Ų162136.4 Ų136.476%0.75779%0.789SS**SBendtrans-107.66.2-173.7-83.6174-33.300114.5
7L59.7Low53.2Low143 Ų143135.5 Ų135.575%0.74978%0.781SS**SBendtrans-98.1128.9176.9-68.4172.8000110.6
8P62.5Low52.6Low118 Ų118141.8 Ų141.877%0.76679%0.791SS**PPolyproline II helixtrans-61.7144.9175.825.3-31.4000110.4
9A64.7Low51.9Low84 Ų84138.2 Ų138.269%0.69479%0.789SS**PPolyproline II helixtrans-55.5139.7-178.800000111.2I11A9-I11 PolarHBondContact O-N 2.85Å; A9-I11 VanDerWaalsContact O-N 3.09Å
10P58.8Low50.9Low121 Ų121136 Ų13679%0.78678%0.779SS**  trans-65115.9179.327.3-32.5000109.2Q12P10-Q12 PolarHBondContact O-N 2.85Å; P10-Q12 VanDerWaalsContact O-N 3.08Å
11I61.8Low50.2Low154 Ų154134 Ų13479%0.7978%0.779SS**  trans-75.596.6170.5-59.4169.3000106.5A9 K13A9-I11 PolarHBondContact O-N 2.85Å; A9-I11 VanDerWaalsContact O-N 3.09Å; I11-K13 HydrophobicContact CG2-CG 4.35Å; I11-K13 PolarHBondContact O-N 3.46Å; I11-K13 VanDerWaalsContact O-N 3.09Å
12Q46.6Very low49.8Very low190 Ų190129.9 Ų129.989%0.88876%0.761SS**  trans-69.298.9163.1-78.9-175.5-17.700107.9P10 G14P10-Q12 PolarHBondContact O-N 2.85Å; P10-Q12 VanDerWaalsContact O-N 3.08Å; Q12-G14 PolarHBondContact O-N 2.85Å
13K50.5Low49.3Very low189 Ų189133 Ų13382%0.82277%0.77SS**  trans-76.8100.1152.2-76.1-171.2176.9-1760105.7I11 S15I11-K13 HydrophobicContact CG2-CG 4.35Å; I11-K13 PolarHBondContact O-N 3.46Å; I11-K13 VanDerWaalsContact O-N 3.09Å; K13-S15 PolarHBondContact O-N 2.89Å; K13-S15 VanDerWaalsContact O-N 3.08Å
14G38.5Very low48.4Very low65 Ų65134 Ų13467%0.6777%0.774SS**  trans-54.7114.5172.400000109Q12 D16Q12-G14 PolarHBondContact O-N 2.85Å; G14-D16 PolarHBondContact O-N 3.39Å
15S40.5Very low47.6Very low116 Ų116134.2 Ų134.281%0.81178%0.777SS**  trans-91.164.9163.259.60000106.9K13K13-S15 PolarHBondContact O-N 2.89Å; K13-S15 VanDerWaalsContact O-N 3.08Å
16D37.8Very low46.4Very low138 Ų138137.7 Ų137.774%0.73878%0.783SS**  trans-92.9138.9166.2-70.2-26.7000107.7G14G14-D16 PolarHBondContact O-N 3.39Å
17D42.1Very low45.3Very low121 Ų121132.8 Ų132.865%0.64778%0.776SS**  trans88.374.6165-53-17.3000118.9G19D17-G19 PolarHBondContact O-N 3.48Å
18Y42.4Very low44.5Very low249 Ų249131.3 Ų131.398%0.97678%0.777SS**SBendtrans-72.594.4139-73.2-83.4000108.2
19G39.1Very low43.6Very low73 Ų73137.4 Ų137.475%0.75379%0.785SS**  trans126.655.216600000116D17D17-G19 PolarHBondContact O-N 3.48Å
20T32.3Very low42.7Very low94 Ų94138.8 Ų138.858%0.57779%0.785SS**  trans-123.4104.1160.831.60000109.1L22T20-L22 PolarHBondContact O-N 3.41Å
21A36.1Very low42.1Very low94 Ų94140.9 Ų140.978%0.77779%0.788SS**  trans-58.8105.8168.900000108.5N23A21-N23 PolarHBondContact O-N 2.99Å
22L37.3Very low41.5Very low153 Ų153139.8 Ų139.880%0.80179%0.789SS**  trans-67.7102.1170.6-72.9170.3000108.2T20 L24T20-L22 PolarHBondContact O-N 3.41Å; L22-L24 PolarHBondContact O-N 2.76Å
23N34.4Very low41.8Very low165 Ų165135.3 Ų135.388%0.88278%0.784SS**  trans-57.799.1161.8-81.4-34.5000108.4A21 N25A21-N23 PolarHBondContact O-N 2.99Å; N23-N25 PolarHBondContact O-N 2.82Å
24L41.8Very low42.1Very low160 Ų160135.1 Ų135.184%0.83878%0.783SS**  trans-78.3113.3172.8-89.2155.4000109.2L22 V26L22-L24 PolarHBondContact O-N 2.76Å; L24-V26 PolarHBondContact O-N 3.4Å
25N42.4Very low43Very low156 Ų156134.3 Ų134.383%0.83477%0.767SS**  trans-48.5126.4172.4-156.14.5000111N23 G27N23-N25 PolarHBondContact O-N 2.82Å; N25-G27 PolarHBondContact O-N 2.9Å; N25-G27 VanDerWaalsContact O-N 3.13Å
26V41.6Very low44.4Very low147 Ų147134.1 Ų134.189%0.89176%0.761SS**SBendtrans-73.999.8179.7177.30000108.4L24L24-V26 PolarHBondContact O-N 3.4Å
27G40.9Very low46.5Very low59 Ų59129.6 Ų129.661%0.60874%0.737SS**  trans-179.9113.517500000112.8N25N25-G27 PolarHBondContact O-N 2.9Å; N25-G27 VanDerWaalsContact O-N 3.13Å
28S42.8Very low48.5Very low111 Ų111125.1 Ų125.178%0.77671%0.714SS**  trans81.9116.9-178.582.80000116.2V30S28-V30 PolarHBondContact O-N 2.97Å
29R43.8Very low50.5Low247 Ų247117.2 Ų117.293%0.93269%0.694SS**  trans-83.884.3-178.4-150.7-179.9-171.9176.91.5108.2
30V45.7Very low52.8Low113 Ų113122.5 Ų122.569%0.68569%0.692SS**  trans-84.6116.4172.3-178.30000108.5S28 V32S28-V30 PolarHBondContact O-N 2.97Å; V30-V32 PolarHBondContact O-N 3.17Å; V30-V32 VanDerWaalsContact O-N 3.16Å
31L45.8Very low55.3Low164 Ų164120.5 Ų120.586%0.85969%0.69SS**  trans-69.8103.5174.1-67.2169.4000109.1A33L31-A33 PolarHBondContact O-N 3.31Å
32V49.2Very low57.6Low132 Ų132123 Ų12380%0.869%0.685SS**  trans-76.8107.81681790000107.7V30 K34V30-V32 PolarHBondContact O-N 3.17Å; V30-V32 VanDerWaalsContact O-N 3.16Å; V32-K34 PolarHBondContact O-N 3.43Å
33A53.9Low59.9Low96 Ų96117.7 Ų117.779%0.79366%0.655SS**  trans-65.6105.4172.200000108.8L31 S35L31-A33 PolarHBondContact O-N 3.31Å; A33-S35 PolarHBondContact O-N 3.09Å; A33-S35 VanDerWaalsContact O-N 3.12Å
34K54.8Low62.1Low185 Ų185119 Ų11980%0.80465%0.653SS**  trans-66.2109.4174.3-157.6172.2-173.6177.90107.6V32 T36V32-K34 PolarHBondContact O-N 3.43Å; K34-T36 PolarHBondContact O-N 3.04Å
35S58.8Low64Low47 Ų47119.4 Ų119.433%0.32966%0.656SS.*  trans-62.3105.6173.3520000108.5A33 E52A33-S35 PolarHBondContact O-N 3.09Å; A33-S35 VanDerWaalsContact O-N 3.12Å; S35-E52 PolarHBondContact OG-O 3.08Å
36T69.3Low66.1Low112 Ų112114.7 Ų114.769%0.68763%0.626SS**PPolyproline II helixtrans-94.2116.1175.154.10000108.8K34 P38K34-T36 PolarHBondContact O-N 3.04Å; T36-P38 WeakPolarHBondContact O-CD 3.41Å
37I81.9Confident68.4Low43 Ų43110.8 Ų110.822%0.22160%0.603CS.*PPolyproline II helixtrans-63.6124.7172.5-60173.6000108.4W46 D53 L55 F60I37-W46 HydrophobicContact CB-CH2 4.44Å; I37-W46 HydrophobicContact CG1-CH2 4.2Å; I37-W46 HydrophobicContact CG1-CZ2 4.46Å; I37-W46 HydrophobicContact CG2-CH2 3.92Å; I37-W46 HydrophobicContact CG2-CZ3 4.11Å; I37-D53 WeakPolarHBondContact CG1-O 3.42Å; I37-L55 HydrophobicContact CB-CD1 4.45Å; I37-L55 HydrophobicContact CD1-CB 3.73Å; I37-L55 HydrophobicContact CD1-CD1 3.49Å; I37-L55 VanDerWaalsContact CD1-CD1 3.49Å; I37-L55 HydrophobicContact CD1-CG 3.5Å; I37-L55 VanDerWaalsContact CD1-CG 3.5Å; I37-L55 HydrophobicContact CG1-CD1 3.64Å; I37-L55 HydrophobicContact CG1-CG 3.79Å; I37-F60 HydrophobicContact CD1-CZ 4.18Å; I37-F60 HydrophobicContact CG2-CE1 4.16Å; I37-F60 HydrophobicContact CG2-CZ 3.78Å
38P84.2Confident70.6Confident27 Ų27108.4 Ų108.418%0.17558%0.576CS.*PPolyproline II helixtrans-60.5137.4172.1-20.832.2000110.4T36 H42 R43 W46T36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-H42 HydrophobicContact CB-CB 4.17Å; P38-R43 HydrophobicContact CB-CG 3.97Å; P38-R43 WeakPolarHBondContact O-CG 3.38Å; P38-R43 PolarHBondContact O-NE 3.32Å; P38-R43 PolarHBondContact O-NH2 3.28Å; P38-W46 HydrophobicContact CG-CB 4.06Å; P38-W46 HydrophobicContact CG-CD2 4Å; P38-W46 HydrophobicContact CG-CE3 4.38Å; P38-W46 HydrophobicContact CG-CG 3.85Å
39P85.7Confident72.6Confident84 Ų84113.4 Ų113.455%0.54558%0.578SS.*PPolyproline II helixtrans-62.2160.9177.824.1-31.7000111.5G41 H42P39-G41 PolarHBondContact O-N 3.04Å; P39-H42 HydrophobicContact CG-CB 4.39Å; P39-H42 PolarHBondContact O-N 2.86Å
40Y86.3Confident74.7Confident184 Ų184106.5 Ų106.572%0.72256%0.56SS**THydrogen-bonded Turntrans-52.8132.2176.4-177.9-107.6000110.5
41G84.2Confident76.7Confident52 Ų52105 Ų10554%0.53655%0.545SS..THydrogen-bonded Turntrans96.9-23.4-17200000115.2P39P39-G41 PolarHBondContact O-N 3.04Å
42H86Confident78.6Confident145 Ų145104 Ų10467%0.67154%0.536SS*.SBendtrans-105.713-179.7-67.8-80.3000114.2P38 P39P38-H42 HydrophobicContact CB-CB 4.17Å; P39-H42 HydrophobicContact CG-CB 4.39Å; P39-H42 PolarHBondContact O-N 2.86Å
43R84.1Confident80.5Confident42 Ų4299.2 Ų99.216%0.15851%0.506CS..  trans-93.73.4-175-67170.2-175.7161.9-1.9115.2P38 N45 W46 E62 I63P38-R43 HydrophobicContact CB-CG 3.97Å; P38-R43 WeakPolarHBondContact O-CG 3.38Å; P38-R43 PolarHBondContact O-NE 3.32Å; P38-R43 PolarHBondContact O-NH2 3.28Å; R43-N45 PolarHBondContact O-N 3.18Å; R43-W46 HydrophobicContact CB-CE3 4.5Å; R43-W46 HydrophobicContact CG-CE3 4.15Å; R43-W46 PolarHBondContact O-N 3.18Å; R43-W46 VanDerWaalsContact O-N 3.14Å; R43-E62 WeakPolarHBondContact CD-OE1 3.43Å; R43-E62 IonicContact CZ-OE1 2.77Å; R43-E62 IonicContact NE-OE1 3.83Å; R43-E62 IonicContact NH1-OE1 2.97Å; R43-E62 PolarHBondContact NH1-OE1 2.62Å; R43-I63 HydrophobicContact CB-CD1 4.46Å
44K80.4Confident82.1Confident194 Ų19495 Ų9584%0.84347%0.47SS*.THydrogen-bonded Turntrans-58.7-21.6-171.1-73.3-175176-179.80115.4
45N83.2Confident83.5Confident168 Ų16891.2 Ų91.290%0.89846%0.458SS*.THydrogen-bonded Turntrans-125.418.5179.9-63.7-22.9000113.2R43R43-N45 PolarHBondContact O-N 3.18Å
46W86.6Confident84.7Confident56 Ų5697.1 Ų97.121%0.21249%0.486CS..  trans-118.8135.1-179.2176.478.8000109.1I37 P38 R43 P48 D53 F60 I63I37-W46 HydrophobicContact CB-CH2 4.44Å; I37-W46 HydrophobicContact CG1-CH2 4.2Å; I37-W46 HydrophobicContact CG1-CZ2 4.46Å; I37-W46 HydrophobicContact CG2-CH2 3.92Å; I37-W46 HydrophobicContact CG2-CZ3 4.11Å; P38-W46 HydrophobicContact CG-CB 4.06Å; P38-W46 HydrophobicContact CG-CD2 4Å; P38-W46 HydrophobicContact CG-CE3 4.38Å; P38-W46 HydrophobicContact CG-CG 3.85Å; R43-W46 HydrophobicContact CB-CE3 4.5Å; R43-W46 HydrophobicContact CG-CE3 4.15Å; R43-W46 PolarHBondContact O-N 3.18Å; R43-W46 VanDerWaalsContact O-N 3.14Å; W46-P48 HydrophobicContact CH2-CB 4.14Å; W46-P48 HydrophobicContact CZ2-CB 4.39Å; W46-D53 WeakPolarHBondContact CH2-O 3.44Å; W46-D53 HydrophobicContact CZ2-CB 4.05Å; W46-F60 HydrophobicContact CH2-CD2 4.11Å; W46-F60 AromaticContact CH2-CE2 3.44Å; W46-F60 HydrophobicContact CH2-CE2 3.44Å; W46-F60 VanDerWaalsContact CH2-CE2 3.44Å; W46-F60 AromaticContact CH2-CZ 3.98Å; W46-F60 HydrophobicContact CH2-CZ 3.98Å; W46-F60 AromaticContact CZ3-CD2 3.61Å; W46-F60 HydrophobicContact CZ3-CD2 3.61Å; W46-F60 AromaticContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CG 4.38Å; W46-F60 AromaticContact CZ3-CZ 3.96Å; W46-F60 HydrophobicContact CZ3-CZ 3.96Å; W46-I63 HydrophobicContact CE3-CD1 3.82Å; W46-I63 HydrophobicContact CZ3-CD1 4.06Å; W46-I63 VanDerWaalsContact O-CD1 3.26Å; W46-I63 WeakPolarHBondContact O-CD1 3.46Å
47V88.4Confident85.6Confident66 Ų6692.9 Ų92.940%0.447%0.465SS..  trans-133.2120.8-178.6-179.70000108.4R49 I63 V65V47-R49 PolarHBondContact O-N 2.86Å; V47-I63 HydrophobicContact CG1-CG2 4.38Å; V47-I63 HydrophobicContact CG2-CG2 4.32Å; V47-V65 HydrophobicContact CG1-CB 4.44Å; V47-V65 HydrophobicContact CG1-CG1 4.4Å; V47-V65 HydrophobicContact CG1-CG2 4.18Å
48P87.1Confident85.9Confident8 Ų892.9 Ų92.95%0.05248%0.475CS..  trans-71.4129.7175.131.6-36.3000109.9W46 D53 F54 F60 Q67W46-P48 HydrophobicContact CH2-CB 4.14Å; W46-P48 HydrophobicContact CZ2-CB 4.39Å; P48-D53 HydrophobicContact CB-CB 3.52Å; P48-F54 HydrophobicContact CB-CD1 4.07Å; P48-F54 HydrophobicContact CB-CE1 3.51Å; P48-F54 HydrophobicContact CB-CE2 4.35Å; P48-F54 HydrophobicContact CB-CZ 3.66Å; P48-F54 HydrophobicContact CG-CD1 4.31Å; P48-F54 HydrophobicContact CG-CE1 3.45Å; P48-F54 VanDerWaalsContact CG-CE1 3.45Å; P48-F54 HydrophobicContact CG-CZ 3.8Å; P48-F60 HydrophobicContact CG-CD2 4.07Å; P48-F60 HydrophobicContact CG-CE2 4.39Å; P48-Q67 HydrophobicContact CG-CG 3.91Å
49R86Confident86.2Confident217 Ų21794.1 Ų94.182%0.81949%0.487SS*.  trans-116.7-34.5178.5-67.5-176.3175.9-179.5-0.9112.2V47 D53V47-R49 PolarHBondContact O-N 2.86Å; R49-D53 PolarHBondContact N-OD2 3.28Å
50N87.6Confident86.4Confident102 Ų10290.9 Ų90.955%0.54547%0.465SS..SBendtrans-107.7160.9-176.6-65.4-18.9000111E52 D53N50-E52 PolarHBondContact O-N 3.28Å; N50-D53 PolarHBondContact N-OD2 3.02Å; N50-D53 WeakPolarHBondContact O-CB 3.39Å; N50-D53 PolarHBondContact O-N 3.21Å; N50-D53 VanDerWaalsContact O-N 3.07Å
51Q86.4Confident86.6Confident80 Ų8087.4 Ų87.437%0.37447%0.465SS..G310 helixtrans-60.2-29.9176.4-175.153.840.800112.4D53 F54 L70Q51-D53 VanDerWaalsContact C-N 3.28Å; Q51-D53 PolarHBondContact O-N 2.84Å; Q51-F54 PolarHBondContact O-N 3.14Å; Q51-L70 VanDerWaalsContact CD-N 3.27Å
52E87.1Confident86.9Confident144 Ų14488.1 Ų88.167%0.67345%0.454SS*.G310 helixtrans-69.8-21.8178.4-61.7176.518000113.3S35 N50 F54 L55S35-E52 PolarHBondContact OG-O 3.08Å; N50-E52 PolarHBondContact O-N 3.28Å; E52-F54 PolarHBondContact O-N 3.39Å; E52-L55 PolarHBondContact O-N 2.9Å
53D88.1Confident87Confident31 Ų3182 Ų8217%0.16643%0.426CS..G310 helixtrans-72-18.9179.3-64.4-34.5000112.2I37 W46 P48 R49 N50 Q51I37-D53 WeakPolarHBondContact CG1-O 3.42Å; W46-D53 WeakPolarHBondContact CH2-O 3.44Å; W46-D53 HydrophobicContact CZ2-CB 4.05Å; P48-D53 HydrophobicContact CB-CB 3.52Å; R49-D53 PolarHBondContact N-OD2 3.28Å; N50-D53 PolarHBondContact N-OD2 3.02Å; N50-D53 WeakPolarHBondContact O-CB 3.39Å; N50-D53 PolarHBondContact O-N 3.21Å; N50-D53 VanDerWaalsContact O-N 3.07Å; Q51-D53 VanDerWaalsContact C-N 3.28Å; Q51-D53 PolarHBondContact O-N 2.84Å
54F87.7Confident87.3Confident9 Ų988.6 Ų88.64%0.03946%0.458CS..G310 helixtrans-89-8177.3-55.7-69.3000113.1P48 Q51 E52 D56 G57 G58 F60 Q67 P69P48-F54 HydrophobicContact CB-CD1 4.07Å; P48-F54 HydrophobicContact CB-CE1 3.51Å; P48-F54 HydrophobicContact CB-CE2 4.35Å; P48-F54 HydrophobicContact CB-CZ 3.66Å; P48-F54 HydrophobicContact CG-CD1 4.31Å; P48-F54 HydrophobicContact CG-CE1 3.45Å; P48-F54 VanDerWaalsContact CG-CE1 3.45Å; P48-F54 HydrophobicContact CG-CZ 3.8Å; Q51-F54 PolarHBondContact O-N 3.14Å; E52-F54 PolarHBondContact O-N 3.39Å; F54-D56 PolarHBondContact O-N 2.7Å; F54-G57 WeakPolarHBondContact O-CA 3.47Å; F54-G57 PolarHBondContact O-N 3.14Å; F54-G58 VanDerWaalsContact CD1-O 3.22Å; F54-G58 WeakPolarHBondContact CD1-O 3.43Å; F54-F60 AromaticContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CE1-CE2 4.38Å; F54-Q67 HydrophobicContact CE1-CB 3.94Å; F54-Q67 HydrophobicContact CE1-CG 4.07Å; F54-Q67 HydrophobicContact CZ-CB 3.89Å; F54-Q67 HydrophobicContact CZ-CG 4.12Å; F54-P69 HydrophobicContact CB-CB 4.41Å; F54-P69 HydrophobicContact CD1-CG 3.91Å; F54-P69 HydrophobicContact CD2-CB 4.29Å; F54-P69 HydrophobicContact CD2-CG 4.31Å; F54-P69 HydrophobicContact CE1-CG 4.07Å; F54-P69 HydrophobicContact CE2-CG 4.48Å; F54-P69 HydrophobicContact CG-CB 4.17Å; F54-P69 HydrophobicContact CG-CG 4.02Å; F54-P69 HydrophobicContact CZ-CG 4.37Å
55L85.6Confident87.7Confident104 Ų10482.5 Ų82.555%0.54544%0.437SS..THydrogen-bonded Turntrans47.6-106.8-171.8-62.1179.6000112.3I37 E52 G57I37-L55 HydrophobicContact CB-CD1 4.45Å; I37-L55 HydrophobicContact CD1-CB 3.73Å; I37-L55 HydrophobicContact CD1-CD1 3.49Å; I37-L55 VanDerWaalsContact CD1-CD1 3.49Å; I37-L55 HydrophobicContact CD1-CG 3.5Å; I37-L55 VanDerWaalsContact CD1-CG 3.5Å; I37-L55 HydrophobicContact CG1-CD1 3.64Å; I37-L55 HydrophobicContact CG1-CG 3.79Å; E52-L55 PolarHBondContact O-N 2.9Å; L55-G57 PolarHBondContact O-N 3.02Å
56D84.1Confident88Confident171 Ų17179 Ų7991%0.91442%0.424SS*.THydrogen-bonded Turntrans-79.46.9179.3-160.533.9000113.2F54F54-D56 PolarHBondContact O-N 2.7Å
57G86.8Confident88.2Confident24 Ų2477.4 Ų77.425%0.24742%0.419CS..  trans99.2-169.5-179.700000113.5F54 L55F54-G57 WeakPolarHBondContact O-CA 3.47Å; F54-G57 PolarHBondContact O-N 3.14Å; L55-G57 PolarHBondContact O-N 3.02Å
58G87.9Confident88.4Confident43 Ų4378.6 Ų78.644%0.44342%0.417SS..  trans91.1131.3-174.300000112.7F54 P69F54-G58 VanDerWaalsContact CD1-O 3.22Å; F54-G58 WeakPolarHBondContact CD1-O 3.43Å; G58-P69 VanDerWaalsContact C-CG 3.49Å
59A91.2Very high88.6Confident52 Ų5279.1 Ų79.143%0.4342%0.42SS..  trans-92.6147.7172.200000109.6P61 Q67 P69A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.43Å; A59-Q67 HydrophobicContact CB-CB 3.87Å; A59-P69 HydrophobicContact CB-CG 4.07Å
60F90.4Very high88.8Confident17 Ų1775.5 Ų75.58%0.07542%0.416CS..  trans-96.7103.6-178.2-55.3-66.5000110I37 W46 P48 F54 E62 I63 Q67I37-F60 HydrophobicContact CD1-CZ 4.18Å; I37-F60 HydrophobicContact CG2-CE1 4.16Å; I37-F60 HydrophobicContact CG2-CZ 3.78Å; W46-F60 HydrophobicContact CH2-CD2 4.11Å; W46-F60 AromaticContact CH2-CE2 3.44Å; W46-F60 HydrophobicContact CH2-CE2 3.44Å; W46-F60 VanDerWaalsContact CH2-CE2 3.44Å; W46-F60 AromaticContact CH2-CZ 3.98Å; W46-F60 HydrophobicContact CH2-CZ 3.98Å; W46-F60 AromaticContact CZ3-CD2 3.61Å; W46-F60 HydrophobicContact CZ3-CD2 3.61Å; W46-F60 AromaticContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CG 4.38Å; W46-F60 AromaticContact CZ3-CZ 3.96Å; W46-F60 HydrophobicContact CZ3-CZ 3.96Å; P48-F60 HydrophobicContact CG-CD2 4.07Å; P48-F60 HydrophobicContact CG-CE2 4.39Å; F54-F60 AromaticContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CE1-CE2 4.38Å; F60-E62 PolarHBondContact O-N 2.85Å; F60-I63 HydrophobicContact CB-CB 4.32Å; F60-I63 HydrophobicContact CB-CD1 3.77Å; F60-I63 HydrophobicContact CB-CG1 3.99Å; F60-I63 HydrophobicContact CD2-CD1 4.06Å; F60-I63 HydrophobicContact CG-CD1 4.17Å; F60-I63 PolarHBondContact O-N 3.42Å; F60-Q67 PolarHBondContact O-NE2 3.48Å
61P90.3Very high88.8Confident111 Ų11171.7 Ų71.772%0.72140%0.401SS*.THydrogen-bonded Turntrans-64.5-21.8-176.326.9-36000113.5A59 I63A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-I63 PolarHBondContact O-N 3.46Å
62E89.7Confident89Confident66 Ų6673.7 Ų73.731%0.30841%0.412SS..THydrogen-bonded Turntrans-72.9-13.5174.166.7-84.5-16100113.8R43 F60R43-E62 WeakPolarHBondContact CD-OE1 3.43Å; R43-E62 IonicContact CZ-OE1 2.77Å; R43-E62 IonicContact NE-OE1 3.83Å; R43-E62 IonicContact NH1-OE1 2.97Å; R43-E62 PolarHBondContact NH1-OE1 2.62Å; F60-E62 PolarHBondContact O-N 2.85Å
63I88.6Confident89Confident16 Ų1669.9 Ų69.98%0.08241%0.412CS..SBendtrans-102.3106.6175.4-56.9174.1000107.8R43 W46 V47 F60 P61 V65 Q67R43-I63 HydrophobicContact CB-CD1 4.46Å; W46-I63 HydrophobicContact CE3-CD1 3.82Å; W46-I63 HydrophobicContact CZ3-CD1 4.06Å; W46-I63 VanDerWaalsContact O-CD1 3.26Å; W46-I63 WeakPolarHBondContact O-CD1 3.46Å; V47-I63 HydrophobicContact CG1-CG2 4.38Å; V47-I63 HydrophobicContact CG2-CG2 4.32Å; F60-I63 HydrophobicContact CB-CB 4.32Å; F60-I63 HydrophobicContact CB-CD1 3.77Å; F60-I63 HydrophobicContact CB-CG1 3.99Å; F60-I63 HydrophobicContact CD2-CD1 4.06Å; F60-I63 HydrophobicContact CG-CD1 4.17Å; F60-I63 PolarHBondContact O-N 3.42Å; P61-I63 PolarHBondContact O-N 3.46Å; I63-V65 HydrophobicContact CG2-CB 4.29Å; I63-V65 HydrophobicContact CG2-CG2 4.24Å; I63-V65 PolarHBondContact O-N 2.91Å; I63-Q67 PolarHBondContact O-NE2 2.88Å
64H89.7Confident89.1Confident181 Ų18173.6 Ų73.684%0.83843%0.428SS*.  trans-77.853.3-175.5-63.8-90.1000113.4
65V89Confident89.2Confident66 Ų6682.5 Ų82.540%0.447%0.47SS..SBendtrans-129.9141.8175.5177.40000107.9V47 I63 Q67V47-V65 HydrophobicContact CG1-CB 4.44Å; V47-V65 HydrophobicContact CG1-CG1 4.4Å; V47-V65 HydrophobicContact CG1-CG2 4.18Å; I63-V65 HydrophobicContact CG2-CB 4.29Å; I63-V65 HydrophobicContact CG2-CG2 4.24Å; I63-V65 PolarHBondContact O-N 2.91Å; V65-Q67 WeakPolarHBondContact O-CG 3.33Å; V65-Q67 PolarHBondContact O-N 3.39Å; V65-Q67 PolarHBondContact O-NE2 3.05Å
66P90Very high89.3Confident94 Ų9485.2 Ų85.261%0.6148%0.477SS*.  trans-60.2120.5173.724.1-34.2000110.7Y68P66-Y68 HydrophobicContact CB-CE2 3.97Å
67Q91.2Very high89.6Confident24 Ų2484.3 Ų84.311%0.11247%0.472CS..  trans-121.1130-176.9-71.2163.965.900108.6P48 F54 A59 F60 I63 V65 P69P48-Q67 HydrophobicContact CG-CG 3.91Å; F54-Q67 HydrophobicContact CE1-CB 3.94Å; F54-Q67 HydrophobicContact CE1-CG 4.07Å; F54-Q67 HydrophobicContact CZ-CB 3.89Å; F54-Q67 HydrophobicContact CZ-CG 4.12Å; A59-Q67 HydrophobicContact CB-CB 3.87Å; F60-Q67 PolarHBondContact O-NE2 3.48Å; I63-Q67 PolarHBondContact O-NE2 2.88Å; V65-Q67 WeakPolarHBondContact O-CG 3.33Å; V65-Q67 PolarHBondContact O-N 3.39Å; V65-Q67 PolarHBondContact O-NE2 3.05Å; Q67-P69 VanDerWaalsContact C-CD 3.46Å; Q67-P69 WeakPolarHBondContact O-CD 3.39Å
68Y91.9Very high89.7Confident91 Ų9191.3 Ų91.336%0.35750%0.502SS..  trans-126.369-175.9-52.9-66.4000111.6P66 L70 G71 M72 G73 Q74P66-Y68 HydrophobicContact CB-CE2 3.97Å; Y68-L70 PolarHBondContact O-N 2.8Å; Y68-G71 PolarHBondContact O-N 2.85Å; Y68-M72 VanDerWaalsContact CD1-O 3.27Å; Y68-M72 WeakPolarHBondContact CD1-O 2.98Å; Y68-G73 WeakPolarHBondContact CE1-O 2.76Å; Y68-Q74 HydrophobicContact CD1-CG 4Å; Y68-Q74 HydrophobicContact CD2-CG 3.62Å; Y68-Q74 HydrophobicContact CE1-CG 4.44Å; Y68-Q74 HydrophobicContact CE2-CG 4.1Å; Y68-Q74 HydrophobicContact CG-CG 3.54Å
69P91.3Very high89.8Confident19 Ų1993.4 Ų93.412%0.12351%0.51CS..G310 helixtrans-53.2131.3171.2-18.628.3000110.2F54 G58 A59 Q67 G71 M72F54-P69 HydrophobicContact CB-CB 4.41Å; F54-P69 HydrophobicContact CD1-CG 3.91Å; F54-P69 HydrophobicContact CD2-CB 4.29Å; F54-P69 HydrophobicContact CD2-CG 4.31Å; F54-P69 HydrophobicContact CE1-CG 4.07Å; F54-P69 HydrophobicContact CE2-CG 4.48Å; F54-P69 HydrophobicContact CG-CB 4.17Å; F54-P69 HydrophobicContact CG-CG 4.02Å; F54-P69 HydrophobicContact CZ-CG 4.37Å; G58-P69 VanDerWaalsContact C-CG 3.49Å; A59-P69 HydrophobicContact CB-CG 4.07Å; Q67-P69 VanDerWaalsContact C-CD 3.46Å; Q67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-G71 PolarHBondContact O-N 3.19Å; P69-M72 WeakPolarHBondContact O-CB 3.3Å; P69-M72 PolarHBondContact O-N 3.14Å; P69-M72 VanDerWaalsContact O-N 3.14Å
70L89.5Confident89.9Confident140 Ų14099.1 Ų99.173%0.73353%0.533SS*.G310 helixtrans59.222.9-177.4-57.7170.1000113.6Q51 Y68 M72Q51-L70 VanDerWaalsContact CD-N 3.27Å; Y68-L70 PolarHBondContact O-N 2.8Å; L70-M72 HydrophobicContact CB-CG 4.31Å; L70-M72 PolarHBondContact O-N 3.33Å
71G89.1Confident89.9Confident23 Ų23101.9 Ų101.924%0.23756%0.559CS.*G310 helixtrans66.612.9-176.100000114Y68 P69 G73Y68-G71 PolarHBondContact O-N 2.85Å; P69-G71 PolarHBondContact O-N 3.19Å; G71-G73 PolarHBondContact O-N 3.14Å
72M90.5Very high89.9Confident122 Ų122101.5 Ų101.560%0.60155%0.551SS**THydrogen-bonded Turntrans-72.9127.5179.4-67.9-69.8-80.300110Y68 P69 L70Y68-M72 VanDerWaalsContact CD1-O 3.27Å; Y68-M72 WeakPolarHBondContact CD1-O 2.98Å; P69-M72 WeakPolarHBondContact O-CB 3.3Å; P69-M72 PolarHBondContact O-N 3.14Å; P69-M72 VanDerWaalsContact O-N 3.14Å; L70-M72 HydrophobicContact CB-CG 4.31Å; L70-M72 PolarHBondContact O-N 3.33Å
73G87.4Confident90Very high64 Ų64103.3 Ų103.366%0.6657%0.566SS**THydrogen-bonded Turntrans95.8-8.2-179.700000115.3Y68 G71Y68-G73 WeakPolarHBondContact CE1-O 2.76Å; G71-G73 PolarHBondContact O-N 3.14Å
74Q90.1Very high90.2Very high108 Ų108109 Ų10951%0.50560%0.595SS.*SBendtrans-69.5150.7169-66.6-175.8-17.500111Y68 K76Y68-Q74 HydrophobicContact CD1-CG 4Å; Y68-Q74 HydrophobicContact CD2-CG 3.62Å; Y68-Q74 HydrophobicContact CE1-CG 4.44Å; Y68-Q74 HydrophobicContact CE2-CG 4.1Å; Y68-Q74 HydrophobicContact CG-CG 3.54Å; Q74-K76 PolarHBondContact O-N 2.8Å
75E89.3Confident90.4Very high197 Ų197105 Ų10592%0.92158%0.576SS**PPolyproline II helixtrans-61.6123169.6-67.8-174.8173.400109.5
76K87.7Confident90.6Very high160 Ų160106.1 Ų106.170%0.69658%0.582SS**PPolyproline II helixtrans-101146.4-179.4-63.8-177.5-178.6-1790109.7Q74Q74-K76 PolarHBondContact O-N 2.8Å
77N90.2Very high90.7Very high152 Ų152103.6 Ų103.681%0.81356%0.564SS**PPolyproline II helixtrans-60.1142.1168.5-66.8-28.2000110.3S79N77-S79 PolarHBondContact O-N 2.98Å; N77-S79 VanDerWaalsContact O-N 3.09Å
78I90Very high90.8Very high172 Ų172112.3 Ų112.388%0.88260%0.601SS**  trans-61.4115.6172.7-56.9171.8000107.4
79S89.7Confident90.9Very high86 Ų86113.9 Ų113.960%0.60162%0.616SS**  trans-120.1141.8-177.370.30000110.7N77 A81N77-S79 PolarHBondContact O-N 2.98Å; N77-S79 VanDerWaalsContact O-N 3.09Å; S79-A81 PolarHBondContact O-N 3.33Å
80N92.5Very high90.9Very high172 Ų172115.4 Ų115.492%0.9264%0.635SS**  trans-84.75.2175.2-65-20.6000112.4
81A90.7Very high91Very high76 Ų76117.7 Ų117.763%0.62863%0.634SS**PPolyproline II helixtrans-76.7136-17800000110.4S79S79-A81 PolarHBondContact O-N 3.33Å
82L90Very high91.3Very high102 Ų102120.3 Ų120.353%0.53464%0.642SS.*PPolyproline II helixtrans-64.2141169.1-173.367.7000109.4I84 E96L82-I84 PolarHBondContact O-N 2.81Å; L82-E96 HydrophobicContact CD2-CB 3.9Å
83V91.8Very high91.4Very high105 Ų105118.8 Ų118.864%0.63663%0.629SS**PPolyproline II helixtrans-62.1125.5175.8179.10000109.5K85V83-K85 HydrophobicContact CG1-CG 4.48Å; V83-K85 PolarHBondContact O-N 3.08Å
84I93.3Very high91.7Very high134 Ų134123.2 Ų123.269%0.68763%0.627SS**PPolyproline II helixtrans-69.2117.4173.3-57.2174.2000107.9L82 I92L82-I84 PolarHBondContact O-N 2.81Å; I84-I92 HydrophobicContact CG2-CG1 4.42Å; I84-I92 HydrophobicContact CG2-CG2 3.65Å
85K93.3Very high91.7Very high99 Ų99118.9 Ų118.943%0.4361%0.608SS.*  trans-106.3151.8175.7-54.8-158.7-150.4107.80111V83 R93 E96V83-K85 HydrophobicContact CG1-CG 4.48Å; V83-K85 PolarHBondContact O-N 3.08Å; K85-R93 WeakPolarHBondContact O-CB 3.04Å; K85-R93 PolarHBondContact O-N 3.27Å; K85-E96 WeakPolarHBondContact CB-OE1 3.49Å; K85-E96 WeakPolarHBondContact CD-OE1 3.45Å; K85-E96 WeakPolarHBondContact CE-OE1 3.32Å; K85-E96 WeakPolarHBondContact CE-OE2 3.09Å; K85-E96 WeakPolarHBondContact CG-OE1 3.14Å; K85-E96 WeakPolarHBondContact CG-OE2 3.36Å; K85-E96 IonicContact NZ-OE1 3.63Å; K85-E96 PolarHBondContact NZ-OE1 3.24Å; K85-E96 IonicContact NZ-OE2 3.92Å; K85-E96 PolarHBondContact NZ-OE2 3.25Å
86T93.8Very high91.8Very high88 Ų88110.7 Ų110.754%0.5457%0.57SS.*BIsolated β-bridgetrans-108151.6172.747.80000110.3R91 I92T86-R91 CarbonylContact C-O 3.48Å; T86-R91 VanDerWaalsContact CA-O 3.28Å; T86-R91 WeakPolarHBondContact CA-O 3.19Å; T86-I92 HydrophobicContact CG2-CG1 4.45Å
87D90.9Very high92Very high42 Ų42108.4 Ų108.423%0.22556%0.564CS.*  trans-80.3174.4171.4-151.2-14.2000110.3D89 G90 R91 R93 K111D87-D89 PolarHBondContact O-N 3.23Å; D87-D89 VanDerWaalsContact O-N 3.15Å; D87-G90 PolarHBondContact O-N 2.87Å; D87-R91 PolarHBondContact N-O 3.35Å; D87-R93 HydrophobicContact CB-CG 3.99Å; D87-K111 IonicContact OD2-NZ 3.78Å; D87-K111 PolarHBondContact OD2-NZ 3.02Å
88K94.4Very high92Very high206 Ų206103 Ų10390%0.89654%0.537SS*.THydrogen-bonded Turntrans-55.8-29.6175.7-61.5178.6-177.41770112.5G90K88-G90 VanDerWaalsContact C-N 3.29Å; K88-G90 PolarHBondContact O-N 3.02Å
89D92.9Very high92Very high124 Ų12497.4 Ų97.466%0.66350%0.504SS*.THydrogen-bonded Turntrans-84.84.6177.9-53.3-31.9000113.5D87 R91D87-D89 PolarHBondContact O-N 3.23Å; D87-D89 VanDerWaalsContact O-N 3.15Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 3.35Å
90G91.5Very high92Very high52 Ų52100.1 Ų100.154%0.53651%0.507SS..SBendtrans78.7-2.2-178.300000115.2D87 K88D87-G90 PolarHBondContact O-N 2.87Å; K88-G90 VanDerWaalsContact C-N 3.29Å; K88-G90 PolarHBondContact O-N 3.02Å
91R92.7Very high91.9Very high188 Ų18895.3 Ų95.371%0.70950%0.499SS*.  trans-71139.3176-63-179.7-177.1173.72.4111T86 D87 D89 R93T86-R91 CarbonylContact C-O 3.48Å; T86-R91 VanDerWaalsContact CA-O 3.28Å; T86-R91 WeakPolarHBondContact CA-O 3.19Å; D87-R91 PolarHBondContact N-O 3.35Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 3.35Å; R91-R93 PolarHBondContact O-N 3.27Å
92I94.6Very high92Very high77 Ų7793.5 Ų93.540%0.39548%0.478SS..BIsolated β-bridgetrans-65130.6175-62.8171000109.8I84 T86 Y94I84-I92 HydrophobicContact CG2-CG1 4.42Å; I84-I92 HydrophobicContact CG2-CG2 3.65Å; T86-I92 HydrophobicContact CG2-CG1 4.45Å; I92-Y94 HydrophobicContact CB-CD2 4.33Å; I92-Y94 HydrophobicContact CB-CE2 3.81Å; I92-Y94 HydrophobicContact CG2-CD1 4.2Å; I92-Y94 HydrophobicContact CG2-CD2 4.19Å; I92-Y94 HydrophobicContact CG2-CE1 3.88Å; I92-Y94 HydrophobicContact CG2-CE2 3.88Å; I92-Y94 HydrophobicContact CG2-CG 4.35Å; I92-Y94 WeakPolarHBondContact O-CD2 3.39Å; I92-Y94 PolarHBondContact O-N 3.38Å; I92-Y94 VanDerWaalsContact O-N 3.09Å
93R92.3Very high92.1Very high90 Ų9092 Ų9234%0.3448%0.475SS..  trans-84.775.9-179.4-62.7-173.369166.82.8111.2K85 D87 R91 D95 E96K85-R93 WeakPolarHBondContact O-CB 3.04Å; K85-R93 PolarHBondContact O-N 3.27Å; D87-R93 HydrophobicContact CB-CG 3.99Å; R91-R93 PolarHBondContact O-N 3.27Å; R93-D95 PolarHBondContact O-N 3.37Å; R93-E96 HydrophobicContact CB-CG 3.97Å; R93-E96 WeakPolarHBondContact O-CG 3.36Å; R93-E96 PolarHBondContact O-N 3.34Å; R93-E96 VanDerWaalsContact O-N 3.15Å
94Y93.4Very high92.1Very high157 Ų15796.1 Ų96.162%0.61649%0.485SS*.THydrogen-bonded Turntrans-60.9-24173.2-63.9-72.8000113.1I92 E96 L97I92-Y94 HydrophobicContact CB-CD2 4.33Å; I92-Y94 HydrophobicContact CB-CE2 3.81Å; I92-Y94 HydrophobicContact CG2-CD1 4.2Å; I92-Y94 HydrophobicContact CG2-CD2 4.19Å; I92-Y94 HydrophobicContact CG2-CE1 3.88Å; I92-Y94 HydrophobicContact CG2-CE2 3.88Å; I92-Y94 HydrophobicContact CG2-CG 4.35Å; I92-Y94 WeakPolarHBondContact O-CD2 3.39Å; I92-Y94 PolarHBondContact O-N 3.38Å; I92-Y94 VanDerWaalsContact O-N 3.09Å; Y94-E96 PolarHBondContact O-N 2.7Å; Y94-L97 WeakPolarHBondContact O-CB 2.93Å; Y94-L97 PolarHBondContact O-N 2.83Å; Y94-L97 VanDerWaalsContact O-N 3.09Å
95D91.5Very high92.1Very high18 Ų1896.7 Ų96.710%0.09649%0.489CS..Hα-helixtrans-55.3-21.3173.4-52.9-15.9000113.8R93 L97 V98 R99 S110 K111R93-D95 PolarHBondContact O-N 3.37Å; D95-L97 PolarHBondContact O-N 3.13Å; D95-V98 PolarHBondContact O-N 3.17Å; D95-V98 VanDerWaalsContact O-N 3.17Å; D95-R99 WeakPolarHBondContact O-CB 3.43Å; D95-R99 VanDerWaalsContact O-CG 3.29Å; D95-R99 WeakPolarHBondContact O-CG 3.23Å; D95-R99 PolarHBondContact O-N 2.77Å; D95-S110 WeakPolarHBondContact OD1-CB 3.47Å; D95-S110 PolarHBondContact OD1-OG 3.36Å; D95-S110 PolarHBondContact OD2-OG 3.47Å; D95-K111 WeakPolarHBondContact OD2-CE 3.33Å; D95-K111 IonicContact OD2-NZ 2.73Å
96E90.6Very high92.1Very high25 Ų2597.9 Ų97.912%0.11749%0.491CS..Hα-helixtrans-64.1-28.8177.4-64.2-155.8162.600113.1L82 K85 R93 Y94 Q100L82-E96 HydrophobicContact CD2-CB 3.9Å; K85-E96 WeakPolarHBondContact CB-OE1 3.49Å; K85-E96 WeakPolarHBondContact CD-OE1 3.45Å; K85-E96 WeakPolarHBondContact CE-OE1 3.32Å; K85-E96 WeakPolarHBondContact CE-OE2 3.09Å; K85-E96 WeakPolarHBondContact CG-OE1 3.14Å; K85-E96 WeakPolarHBondContact CG-OE2 3.36Å; K85-E96 IonicContact NZ-OE1 3.63Å; K85-E96 PolarHBondContact NZ-OE1 3.24Å; K85-E96 IonicContact NZ-OE2 3.92Å; K85-E96 PolarHBondContact NZ-OE2 3.25Å; R93-E96 HydrophobicContact CB-CG 3.97Å; R93-E96 WeakPolarHBondContact O-CG 3.36Å; R93-E96 PolarHBondContact O-N 3.34Å; R93-E96 VanDerWaalsContact O-N 3.15Å; Y94-E96 PolarHBondContact O-N 2.7Å; E96-Q100 PolarHBondContact O-N 3.48Å
97L91.2Very high92.1Very high111 Ų11199.8 Ų99.858%0.58150%0.496SS*.Hα-helixtrans-65.6-42.1173.6-65.5170.9000110.9Y94 D95 Q100Y94-L97 WeakPolarHBondContact O-CB 2.93Å; Y94-L97 PolarHBondContact O-N 2.83Å; Y94-L97 VanDerWaalsContact O-N 3.09Å; D95-L97 PolarHBondContact O-N 3.13Å; L97-Q100 WeakPolarHBondContact O-CB 3.37Å; L97-Q100 PolarHBondContact O-N 3.18Å
98V91.3Very high92.2Very high39 Ų3998.7 Ų98.724%0.23649%0.49CS..Hα-helixtrans-73.3-35.8-179.7-175.80000111.2D95 Q100 I108 P225D95-V98 PolarHBondContact O-N 3.17Å; D95-V98 VanDerWaalsContact O-N 3.17Å; V98-Q100 PolarHBondContact O-N 3.18Å; V98-I108 HydrophobicContact CG1-CD1 4.47Å; V98-I108 HydrophobicContact CG1-CG2 3.65Å; V98-P225 HydrophobicContact CB-CG 4.31Å; V98-P225 VanDerWaalsContact CG1-CD 3.47Å; V98-P225 HydrophobicContact CG1-CG 3.38Å; V98-P225 HydrophobicContact CG2-CG 4.01Å
99R90.4Very high92.2Very high54 Ų5495.9 Ų95.920%0.20448%0.475CS..THydrogen-bonded Turntrans-73.6-7.9179.4-72.8168.8176-80.7-7.9113.5D95 G101 H102 K104 R106 I108D95-R99 WeakPolarHBondContact O-CB 3.43Å; D95-R99 VanDerWaalsContact O-CG 3.29Å; D95-R99 WeakPolarHBondContact O-CG 3.23Å; D95-R99 PolarHBondContact O-N 2.77Å; R99-G101 PolarHBondContact O-N 3.03Å; R99-H102 WeakPolarHBondContact O-CB 3.46Å; R99-H102 PolarHBondContact O-N 2.73Å; R99-K104 PolarHBondContact NH1-O 3.42Å; R99-R106 PolarHBondContact NH1-O 2.91Å; R99-I108 HydrophobicContact CB-CD1 4.46Å; R99-I108 HydrophobicContact CG-CD1 3.85Å
100Q89.3Confident92.3Very high143 Ų14391.4 Ų91.467%0.66845%0.454SS*.THydrogen-bonded Turntrans-55.7124.2178.3-173.9177.610.600110.6E96 L97 V98 H102 P222E96-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 WeakPolarHBondContact O-CB 3.37Å; L97-Q100 PolarHBondContact O-N 3.18Å; V98-Q100 PolarHBondContact O-N 3.18Å; Q100-H102 VanDerWaalsContact C-N 3.34Å; Q100-P222 WeakPolarHBondContact O-CG 3.3Å
101G90.1Very high92.3Very high72 Ų7292.7 Ų92.774%0.74244%0.444SS*.THydrogen-bonded Turntrans87.8-3.3-17800000114.8R99R99-G101 PolarHBondContact O-N 3.03Å
102H93.2Very high92.3Very high38 Ų3890.7 Ų90.718%0.17644%0.441CS..SBendtrans-103.7159.8172-65-61.3000111.9R99 Q100 R106 I108R99-H102 WeakPolarHBondContact O-CB 3.46Å; R99-H102 PolarHBondContact O-N 2.73Å; Q100-H102 VanDerWaalsContact C-N 3.34Å; H102-R106 HydrophobicContact CB-CB 4.25Å; H102-R106 PolarHBondContact CE1-NH1 2.88Å; H102-R106 VanDerWaalsContact CE1-NH1 3.33Å; H102-R106 WeakPolarHBondContact ND1-CD 3.26Å; H102-R106 PolarHBondContact ND1-NH1 2.94Å; H102-R106 VanDerWaalsContact ND1-NH1 3.15Å; H102-I108 HydrophobicContact CB-CD1 4.25Å; H102-I108 WeakPolarHBondContact CD2-CD1 3.48Å
103S92.5Very high92.2Very high69 Ų6990.2 Ų90.248%0.48345%0.445SS..  trans-65.6153.5168.358.50000110.2D105 R106S103-D105 PolarHBondContact O-N 3.12Å; S103-R106 PolarHBondContact O-N 3.31Å; S103-R106 PolarHBondContact OG-N 2.81Å
104K91.5Very high92.3Very high193 Ų19389.2 Ų89.284%0.83945%0.446SS*.THydrogen-bonded Turntrans-58.5-32.7177.7-63.8177.7-177175.30111.8R99R99-K104 PolarHBondContact NH1-O 3.42Å
105D92.6Very high92.3Very high146 Ų14685 Ų8578%0.78143%0.434SS*.THydrogen-bonded Turntrans-84.8-11.9-175.2-44.9-36.2000112.9S103 I107S103-D105 PolarHBondContact O-N 3.12Å; D105-I107 PolarHBondContact O-N 2.69Å
106R93.8Very high92.4Very high124 Ų12488.6 Ų88.647%0.46845%0.453SS..SBendtrans-67.6122.5175.6179.6168-75.2-167.5-3.9109.1R99 H102 S103 I108R99-R106 PolarHBondContact NH1-O 2.91Å; H102-R106 HydrophobicContact CB-CB 4.25Å; H102-R106 PolarHBondContact CE1-NH1 2.88Å; H102-R106 VanDerWaalsContact CE1-NH1 3.33Å; H102-R106 WeakPolarHBondContact ND1-CD 3.26Å; H102-R106 PolarHBondContact ND1-NH1 2.94Å; H102-R106 VanDerWaalsContact ND1-NH1 3.15Å; S103-R106 PolarHBondContact O-N 3.31Å; S103-R106 PolarHBondContact OG-N 2.81Å; R106-I108 HydrophobicContact CG-CG1 4.24Å
107I92.8Very high92.5Very high127 Ų12793.2 Ų93.265%0.65149%0.485SS*.  trans-76.4128.5176.4-56.6173.3000108.4D105 Y109D105-I107 PolarHBondContact O-N 2.69Å; I107-Y109 HydrophobicContact CG2-CE1 4.16Å; I107-Y109 HydrophobicContact CG2-CE2 4.46Å
108I93.7Very high92.4Very high19 Ų1996.2 Ų96.210%0.09749%0.493CS..  trans-134.8127.2174.8-56176.7000106.7V98 R99 H102 R106 P225V98-I108 HydrophobicContact CG1-CD1 4.47Å; V98-I108 HydrophobicContact CG1-CG2 3.65Å; R99-I108 HydrophobicContact CB-CD1 4.46Å; R99-I108 HydrophobicContact CG-CD1 3.85Å; H102-I108 HydrophobicContact CB-CD1 4.25Å; H102-I108 WeakPolarHBondContact CD2-CD1 3.48Å; R106-I108 HydrophobicContact CG-CG1 4.24Å; I108-P225 HydrophobicContact CG2-CG 4.22Å
109Y95.1Very high92.3Very high147 Ų14799.9 Ų99.958%0.57652%0.518SS*.  trans-87128.8174.3-56.6-69.7000109.4I107 D114 P225I107-Y109 HydrophobicContact CG2-CE1 4.16Å; I107-Y109 HydrophobicContact CG2-CE2 4.46Å; Y109-D114 WeakPolarHBondContact CA-OD2 3.34Å; Y109-D114 HydrophobicContact CD1-CB 3.93Å; Y109-D114 HydrophobicContact CG-CB 4.35Å; Y109-P225 WeakPolarHBondContact O-CD 3.43Å; Y109-P225 VanDerWaalsContact O-CG 3.27Å; Y109-P225 WeakPolarHBondContact O-CG 3.48Å
110S93.8Very high91.9Very high31 Ų31102.6 Ų102.622%0.21754%0.535CS..  trans-150.8-14.5-172.748.10000112.8D95 D114D95-S110 WeakPolarHBondContact OD1-CB 3.47Å; D95-S110 PolarHBondContact OD1-OG 3.36Å; D95-S110 PolarHBondContact OD2-OG 3.47Å; S110-D114 PolarHBondContact N-OD2 3.01Å
111K92.9Very high91.8Very high78 Ų78100.7 Ų100.734%0.33953%0.53SS..SBendtrans-93.5148.5-176.5-59.1-178.9-175.6-176.90109.1D87 D95 S113 D114 M227D87-K111 IonicContact OD2-NZ 3.78Å; D87-K111 PolarHBondContact OD2-NZ 3.02Å; D95-K111 WeakPolarHBondContact OD2-CE 3.33Å; D95-K111 IonicContact OD2-NZ 2.73Å; K111-S113 VanDerWaalsContact CB-OG 3.28Å; K111-S113 WeakPolarHBondContact CB-OG 3.5Å; K111-S113 PolarHBondContact O-N 2.83Å; K111-D114 PolarHBondContact N-OD2 3.21Å; K111-D114 VanDerWaalsContact O-CB 3.28Å; K111-D114 WeakPolarHBondContact O-CB 3.48Å; K111-D114 PolarHBondContact O-N 2.94Å; K111-M227 VanDerWaalsContact O-CE 3.25Å; K111-M227 WeakPolarHBondContact O-CE 3.48Å
112F92.1Very high91.3Very high146 Ų146105 Ų10564%0.6454%0.536SS*.G310 helixtrans-59.8-29.2172.9179.9-101.5000112.4D114 L115 L116F112-D114 PolarHBondContact O-N 3.44Å; F112-D114 VanDerWaalsContact O-N 3.17Å; F112-L115 HydrophobicContact CD2-CD1 3.93Å; F112-L115 HydrophobicContact CE2-CD1 4.36Å; F112-L115 WeakPolarHBondContact O-CB 3.38Å; F112-L115 PolarHBondContact O-N 3.18Å; F112-L116 HydrophobicContact CE1-CD1 4.38Å; F112-L116 HydrophobicContact CE1-CD2 3.77Å; F112-L116 HydrophobicContact CE1-CG 4.17Å; F112-L116 HydrophobicContact CZ-CD2 4.02Å
113S92.8Very high90.7Very high68 Ų68110.9 Ų110.948%0.47657%0.568SS.*G310 helixtrans-57.3-26.9172.453.40000113.4K111 L115K111-S113 VanDerWaalsContact CB-OG 3.28Å; K111-S113 WeakPolarHBondContact CB-OG 3.5Å; K111-S113 PolarHBondContact O-N 2.83Å; S113-L115 VanDerWaalsContact C-N 3.29Å
114D93.6Very high90.4Very high68 Ų68110.2 Ų110.236%0.36456%0.56SS.*G310 helixtrans-77.8-16.2179.8-50.3-28.6000112Y109 S110 K111 F112 M227Y109-D114 WeakPolarHBondContact CA-OD2 3.34Å; Y109-D114 HydrophobicContact CD1-CB 3.93Å; Y109-D114 HydrophobicContact CG-CB 4.35Å; S110-D114 PolarHBondContact N-OD2 3.01Å; K111-D114 PolarHBondContact N-OD2 3.21Å; K111-D114 VanDerWaalsContact O-CB 3.28Å; K111-D114 WeakPolarHBondContact O-CB 3.48Å; K111-D114 PolarHBondContact O-N 2.94Å; F112-D114 PolarHBondContact O-N 3.44Å; F112-D114 VanDerWaalsContact O-N 3.17Å; D114-M227 HydrophobicContact CB-CE 3.81Å
115L93.6Very high90.1Very high68 Ų68105.6 Ų105.636%0.35655%0.549SS..THydrogen-bonded Turntrans-86-20.1175.9-73.3171.6000113.4F112 S113 M227F112-L115 HydrophobicContact CD2-CD1 3.93Å; F112-L115 HydrophobicContact CE2-CD1 4.36Å; F112-L115 WeakPolarHBondContact O-CB 3.38Å; F112-L115 PolarHBondContact O-N 3.18Å; S113-L115 VanDerWaalsContact C-N 3.29Å; L115-M227 HydrophobicContact CD1-CE 4.27Å; L115-M227 HydrophobicContact CD2-CB 3.57Å; L115-M227 HydrophobicContact CD2-CE 4.02Å; L115-M227 VanDerWaalsContact CD2-O 3.3Å; L115-M227 WeakPolarHBondContact CD2-O 3.43Å; L115-M227 HydrophobicContact CG-CB 4.48Å; L115-M227 HydrophobicContact CG-CE 3.64Å
116L93.5Very high89.7Confident95 Ų95107 Ų10750%0.49755%0.551SS.*SBendtrans-71.6130.7-175.3-65.9175.9000109.5F112 K118F112-L116 HydrophobicContact CE1-CD1 4.38Å; F112-L116 HydrophobicContact CE1-CD2 3.77Å; F112-L116 HydrophobicContact CE1-CG 4.17Å; F112-L116 HydrophobicContact CZ-CD2 4.02Å; L116-K118 PolarHBondContact O-N 3.41Å
117P93.2Very high89.2Confident122 Ų122106.9 Ų106.979%0.79255%0.554SS**PPolyproline II helixtrans-63.8135.7174.328.1-33.4000109.1
118K89.4Confident88.9Confident173 Ų173106.3 Ų106.375%0.75255%0.552SS**PPolyproline II helixtrans-90.7136172.3-63.1-177.4179.9-176.20108.6L116L116-K118 PolarHBondContact O-N 3.41Å
119P87.8Confident88.5Confident116 Ų116114.1 Ų114.175%0.75359%0.586SS**PPolyproline II helixtrans-59.4138.7166.728.4-32.9000108.4
120I83.5Confident88.1Confident111 Ų111111.1 Ų111.157%0.56958%0.584SS**  trans-114.7117.8177.8-59.2172.6000105.4F127I120-F127 HydrophobicContact CG1-CZ 4.12Å; I120-F127 HydrophobicContact CG2-CD2 4.27Å; I120-F127 HydrophobicContact CG2-CE2 3.97Å; I120-F127 HydrophobicContact CG2-CZ 4.2Å
121D85.5Confident87.6Confident103 Ų103112.6 Ų112.655%0.55160%0.595SS**  trans-93.6129.1167.4-64.2-31.1000107.7D123 D124D121-D123 PolarHBondContact O-N 3.11Å; D121-D123 VanDerWaalsContact O-N 3.11Å; D121-D124 PolarHBondContact N-OD2 3.29Å; D121-D124 WeakPolarHBondContact O-CB 3.3Å; D121-D124 PolarHBondContact O-N 3.41Å
122D80.7Confident87.2Confident164 Ų164114.2 Ų114.288%0.87760%0.603SS**THydrogen-bonded Turntrans-62.7-21.8-174.3-72.3-34.9000112.9
123D81.1Confident86.6Confident160 Ų160112.7 Ų112.786%0.85660%0.598SS**THydrogen-bonded Turntrans-90.31.7179.6-65.4-46.9000113.6D121 P125D121-D123 PolarHBondContact O-N 3.11Å; D121-D123 VanDerWaalsContact O-N 3.11Å; D123-P125 WeakPolarHBondContact O-CD 3.43Å
124D84.8Confident86.1Confident56 Ų56112.2 Ų112.230%0.29959%0.593SS.*  trans-70.5119.2-176.8-86.2-26.4000111.9D121 E126 F127D121-D124 PolarHBondContact N-OD2 3.29Å; D121-D124 WeakPolarHBondContact O-CB 3.3Å; D121-D124 PolarHBondContact O-N 3.41Å; D124-E126 PolarHBondContact O-N 3.14Å; D124-E126 VanDerWaalsContact O-N 3.11Å; D124-F127 HydrophobicContact CB-CD2 3.67Å; D124-F127 HydrophobicContact CB-CE2 4.01Å; D124-F127 PolarHBondContact O-N 3.32Å
125P84.8Confident85.6Confident95 Ų95111.5 Ų111.562%0.61759%0.588SS**G310 helixtrans-67.8-14.4-178.128.1-35.3000113.7D123 F127 N128D123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-F127 VanDerWaalsContact C-N 3.25Å; P125-F127 PolarHBondContact O-N 2.96Å; P125-N128 WeakPolarHBondContact O-CB 3.24Å; P125-N128 PolarHBondContact O-N 2.73Å
126E84.9Confident84.6Confident176 Ų176113.8 Ų113.882%0.82260%0.597SS**G310 helixtrans-66.4-26.1175.9-67.3-167.9173.900113D124D124-E126 PolarHBondContact O-N 3.14Å; D124-E126 VanDerWaalsContact O-N 3.11Å
127F83.9Confident82.9Confident122 Ų122115.9 Ų115.954%0.53560%0.604SS.*G310 helixtrans-89.8-5.7178.2-63.2-77.3000113.2I120 D124 P125I120-F127 HydrophobicContact CG1-CZ 4.12Å; I120-F127 HydrophobicContact CG2-CD2 4.27Å; I120-F127 HydrophobicContact CG2-CE2 3.97Å; I120-F127 HydrophobicContact CG2-CZ 4.2Å; D124-F127 HydrophobicContact CB-CD2 3.67Å; D124-F127 HydrophobicContact CB-CE2 4.01Å; D124-F127 PolarHBondContact O-N 3.32Å; P125-F127 VanDerWaalsContact C-N 3.25Å; P125-F127 PolarHBondContact O-N 2.96Å
128N85.6Confident81.2Confident115 Ų115113.5 Ų113.562%0.61559%0.587SS**SBendtrans-67141.5172.8-73.5-33000110.3P125P125-N128 WeakPolarHBondContact O-CB 3.24Å; P125-N128 PolarHBondContact O-N 2.73Å
129K85.4Confident80Confident183 Ų183108.8 Ų108.880%0.79657%0.57SS**PPolyproline II helixtrans-58.3149.3167.4-65.6179.8-176.5176.40108.5
130P86.7Confident79.8Confident83 Ų83106.9 Ų106.954%0.53956%0.557SS.*PPolyproline II helixtrans-49.3150.8169.1-24.934000110.6T134 I135P130-T134 HydrophobicContact CB-CG2 4.24Å; P130-I135 HydrophobicContact CB-CG1 4.24Å; P130-I135 VanDerWaalsContact O-CD1 3.28Å; P130-I135 WeakPolarHBondContact O-CD1 3.19Å
131S84.9Confident80.1Confident63 Ų63105.3 Ų105.344%0.44155%0.552SS.*PPolyproline II helixtrans-54.1150.1-178.366.70000110.9E133 T134 I135S131-E133 PolarHBondContact O-N 3.23Å; S131-T134 WeakPolarHBondContact O-CA 3.24Å; S131-T134 WeakPolarHBondContact O-CB 3.39Å; S131-T134 PolarHBondContact O-N 3.25Å; S131-T134 PolarHBondContact OG-N 2.83Å; S131-T134 PolarHBondContact OG-OG1 3.2Å; S131-I135 PolarHBondContact O-N 3.01Å
132Q83.1Confident80.3Confident112 Ų112104 Ų10452%0.52354%0.543SS..Hα-helixtrans-56.4-36.8179.4-166.466.98.900111.2T134 I135 E136Q132-T134 PolarHBondContact O-N 2.73Å; Q132-I135 PolarHBondContact O-N 3.41Å; Q132-E136 HydrophobicContact CG-CG 4.15Å; Q132-E136 VanDerWaalsContact NE2-CD 3.33Å; Q132-E136 PolarHBondContact NE2-OE1 3.11Å; Q132-E136 WeakPolarHBondContact O-CB 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 3.18Å
133E80.8Confident80.8Confident114 Ų114101.9 Ų101.953%0.53353%0.526SS..Hα-helixtrans-60.2-40170.9178.9171.7-175.400112.6S131 I135 E137 V138S131-E133 PolarHBondContact O-N 3.23Å; E133-I135 VanDerWaalsContact C-N 3.28Å; E133-I135 PolarHBondContact O-N 3.22Å; E133-E137 HydrophobicContact CB-CB 4.47Å; E133-E137 HydrophobicContact CG-CB 3.75Å; E133-E137 HydrophobicContact CG-CG 4.38Å; E133-E137 WeakPolarHBondContact CG-OE2 3.37Å; E133-E137 CarbonylContact O-C 3.6Å; E133-E137 WeakPolarHBondContact O-CA 3.44Å; E133-E137 WeakPolarHBondContact O-CB 3.26Å; E133-E137 PolarHBondContact O-N 3.36Å; E133-V138 HydrophobicContact CG-CG2 4.35Å; E133-V138 PolarHBondContact O-N 2.97Å
134T81.7Confident81.3Confident58 Ų5898.1 Ų98.136%0.35651%0.509SS..Hα-helixtrans-68.7-31.5176-510000112.1P130 S131 Q132 V138 T140P130-T134 HydrophobicContact CB-CG2 4.24Å; S131-T134 WeakPolarHBondContact O-CA 3.24Å; S131-T134 WeakPolarHBondContact O-CB 3.39Å; S131-T134 PolarHBondContact O-N 3.25Å; S131-T134 PolarHBondContact OG-N 2.83Å; S131-T134 PolarHBondContact OG-OG1 3.2Å; Q132-T134 PolarHBondContact O-N 2.73Å; T134-V138 HydrophobicContact CG2-CB 4.49Å; T134-T140 PolarHBondContact O-OG1 3.49Å
135I82.8Confident81.7Confident52 Ų52101.1 Ų101.127%0.26752%0.516SS..Hα-helixtrans-76-46.5178.4-63.5172000110.9P130 S131 Q132 E133 T140 T141P130-I135 HydrophobicContact CB-CG1 4.24Å; P130-I135 VanDerWaalsContact O-CD1 3.28Å; P130-I135 WeakPolarHBondContact O-CD1 3.19Å; S131-I135 PolarHBondContact O-N 3.01Å; Q132-I135 PolarHBondContact O-N 3.41Å; E133-I135 VanDerWaalsContact C-N 3.28Å; E133-I135 PolarHBondContact O-N 3.22Å; I135-T140 PolarHBondContact O-OG1 3.27Å; I135-T140 VanDerWaalsContact O-OG1 3.12Å; I135-T141 VanDerWaalsContact O-CB 3.3Å; I135-T141 WeakPolarHBondContact O-CB 3.07Å; I135-T141 PolarHBondContact O-N 3.19Å; I135-T141 PolarHBondContact O-OG1 3.47Å
136E72.3Confident82.2Confident117 Ų117102 Ų10255%0.54751%0.51SS..Hα-helixtrans-90.2-48.1-174.4-66.6-176169.400112.9Q132Q132-E136 HydrophobicContact CG-CG 4.15Å; Q132-E136 VanDerWaalsContact NE2-CD 3.33Å; Q132-E136 PolarHBondContact NE2-OE1 3.11Å; Q132-E136 WeakPolarHBondContact O-CB 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 3.18Å
137E57.6Low82.7Confident139 Ų13996.2 Ų96.265%0.6549%0.493SS*.THydrogen-bonded Turntrans-96.1-40.2-166.1-152.8165.8176.700112.8E133 D139E133-E137 HydrophobicContact CB-CB 4.47Å; E133-E137 HydrophobicContact CG-CB 3.75Å; E133-E137 HydrophobicContact CG-CG 4.38Å; E133-E137 WeakPolarHBondContact CG-OE2 3.37Å; E133-E137 CarbonylContact O-C 3.6Å; E133-E137 WeakPolarHBondContact O-CA 3.44Å; E133-E137 WeakPolarHBondContact O-CB 3.26Å; E133-E137 PolarHBondContact O-N 3.36Å; E137-D139 PolarHBondContact O-N 3.21Å; E137-D139 VanDerWaalsContact O-N 3.14Å
138V58.5Low83.3Confident72 Ų7295 Ų9544%0.43649%0.491SS..SBendtrans-96.266.1-173.3-165.30000111.2E133 T134 T140E133-V138 HydrophobicContact CG-CG2 4.35Å; E133-V138 PolarHBondContact O-N 2.97Å; T134-V138 HydrophobicContact CG2-CB 4.49Å; V138-T140 VanDerWaalsContact C-N 3.34Å; V138-T140 PolarHBondContact O-N 3.07Å
139D64Low83.8Confident74 Ų7493.9 Ų93.940%0.39648%0.482SS..SBendtrans78.5-26.5159-63.4-43.2000118.9E137 K143E137-D139 PolarHBondContact O-N 3.21Å; E137-D139 VanDerWaalsContact O-N 3.14Å; D139-K143 HydrophobicContact CB-CD 3.6Å; D139-K143 HydrophobicContact CB-CG 3.92Å; D139-K143 WeakPolarHBondContact O-CA 3.43Å; D139-K143 WeakPolarHBondContact O-CB 3.27Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 3.15Å; D139-K143 WeakPolarHBondContact OD1-CE 3.42Å; D139-K143 IonicContact OD1-NZ 3.42Å; D139-K143 PolarHBondContact OD1-NZ 2.71Å; D139-K143 WeakPolarHBondContact OD2-CE 3.5Å; D139-K143 IonicContact OD2-NZ 2.62Å; D139-K143 PolarHBondContact OD2-NZ 3.5Å
140T84.5Confident84.3Confident76 Ų7688 Ų8847%0.46646%0.464SS..Hα-helixtrans-69.5-60.4-170.759.80000112.6T134 I135 V138 T144T134-T140 PolarHBondContact O-OG1 3.49Å; I135-T140 PolarHBondContact O-OG1 3.27Å; I135-T140 VanDerWaalsContact O-OG1 3.12Å; V138-T140 VanDerWaalsContact C-N 3.34Å; V138-T140 PolarHBondContact O-N 3.07Å; T140-T144 WeakPolarHBondContact O-CB 3.46Å; T140-T144 PolarHBondContact O-N 3.46Å; T140-T144 PolarHBondContact O-OG1 2.76Å
141T89Confident84.7Confident77 Ų7788.8 Ų88.847%0.47246%0.463SS..Hα-helixtrans-64.2-45.4-179.8-58.50000111.3I135 R145I135-T141 VanDerWaalsContact O-CB 3.3Å; I135-T141 WeakPolarHBondContact O-CB 3.07Å; I135-T141 PolarHBondContact O-N 3.19Å; I135-T141 PolarHBondContact O-OG1 3.47Å; T141-R145 VanDerWaalsContact O-CB 3.24Å; T141-R145 WeakPolarHBondContact O-CB 3.4Å; T141-R145 PolarHBondContact O-N 3.4Å
142E89.1Confident85.2Confident77 Ų7789.9 Ų89.936%0.3647%0.467SS..Hα-helixtrans-65.3-47.6179.7-78.2-127.9141.800113.7R145 K146E142-R145 PolarHBondContact O-N 2.91Å; E142-R145 IonicContact OE1-NH2 3.21Å; E142-R145 PolarHBondContact OE1-NH2 3.27Å; E142-K146 WeakPolarHBondContact O-CB 3.34Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.31Å; E142-K146 IonicContact OE2-NZ 2.84Å; E142-K146 PolarHBondContact OE2-NZ 3.14Å
143K90.6Very high85.6Confident119 Ų11991.1 Ų91.152%0.51747%0.473SS..Hα-helixtrans-66.7-40.7178.2-67.4-179.1-177.9152.10110.4D139 K146 A147D139-K143 HydrophobicContact CB-CD 3.6Å; D139-K143 HydrophobicContact CB-CG 3.92Å; D139-K143 WeakPolarHBondContact O-CA 3.43Å; D139-K143 WeakPolarHBondContact O-CB 3.27Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 3.15Å; D139-K143 WeakPolarHBondContact OD1-CE 3.42Å; D139-K143 IonicContact OD1-NZ 3.42Å; D139-K143 PolarHBondContact OD1-NZ 2.71Å; D139-K143 WeakPolarHBondContact OD2-CE 3.5Å; D139-K143 IonicContact OD2-NZ 2.62Å; D139-K143 PolarHBondContact OD2-NZ 3.5Å; K143-K146 PolarHBondContact O-N 3.21Å; K143-A147 VanDerWaalsContact O-CB 3.23Å; K143-A147 WeakPolarHBondContact O-CB 3.34Å; K143-A147 PolarHBondContact O-N 2.81Å
144T92.4Very high86.1Confident81 Ų8191.1 Ų91.150%0.49747%0.474SS..Hα-helixtrans-63.2-44.1176-62.20000110.8T140 A147 L148T140-T144 WeakPolarHBondContact O-CB 3.46Å; T140-T144 PolarHBondContact O-N 3.46Å; T140-T144 PolarHBondContact O-OG1 2.76Å; T144-A147 PolarHBondContact O-N 3.33Å; T144-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CG 4.23Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 VanDerWaalsContact O-CG 3.24Å; T144-L148 WeakPolarHBondContact O-CG 3.41Å; T144-L148 PolarHBondContact O-N 3.15Å
145R93.5Very high86.6Confident119 Ų11996.1 Ų96.145%0.44949%0.491SS..Hα-helixtrans-57-54.8174.2-178.3-171.962.9174.6-10.3111.2T141 E142 A147 L148 E149T141-R145 VanDerWaalsContact O-CB 3.24Å; T141-R145 WeakPolarHBondContact O-CB 3.4Å; T141-R145 PolarHBondContact O-N 3.4Å; E142-R145 PolarHBondContact O-N 2.91Å; E142-R145 IonicContact OE1-NH2 3.21Å; E142-R145 PolarHBondContact OE1-NH2 3.27Å; R145-A147 VanDerWaalsContact C-N 3.3Å; R145-A147 PolarHBondContact O-N 2.92Å; R145-L148 PolarHBondContact O-N 3.33Å; R145-L148 VanDerWaalsContact O-N 3.14Å; R145-E149 WeakPolarHBondContact CD-OE1 3.1Å; R145-E149 HydrophobicContact CG-CG 4.29Å; R145-E149 WeakPolarHBondContact CG-OE1 3.41Å; R145-E149 IonicContact NE-OE1 3.32Å; R145-E149 WeakPolarHBondContact O-CB 3.29Å; R145-E149 WeakPolarHBondContact O-CG 3.44Å; R145-E149 PolarHBondContact O-N 2.95Å
146K94.3Very high87.1Confident112 Ų11298 Ų9849%0.48750%0.504SS..Hα-helixtrans-57.9-41179.9-73.6166.5176.1153.10111.9E142 K143 S150E142-K146 WeakPolarHBondContact O-CB 3.34Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.31Å; E142-K146 IonicContact OE2-NZ 2.84Å; E142-K146 PolarHBondContact OE2-NZ 3.14Å; K143-K146 PolarHBondContact O-N 3.21Å; K146-S150 PolarHBondContact O-N 3.49Å
147A95.4Very high87.7Confident56 Ų5695 Ų9546%0.46350%0.5SS..Hα-helixtrans-66.6-41.7176.900000112.4K143 T144 R145 L151K143-A147 VanDerWaalsContact O-CB 3.23Å; K143-A147 WeakPolarHBondContact O-CB 3.34Å; K143-A147 PolarHBondContact O-N 2.81Å; T144-A147 PolarHBondContact O-N 3.33Å; R145-A147 VanDerWaalsContact C-N 3.3Å; R145-A147 PolarHBondContact O-N 2.92Å; A147-L151 WeakPolarHBondContact O-CG 3.22Å; A147-L151 PolarHBondContact O-N 3.19Å; A147-L151 VanDerWaalsContact O-N 3.14Å
148L96.4Very high89.1Confident97 Ų9791.3 Ų91.351%0.50849%0.493SS..Hα-helixtrans-68.6-40.5176.3-70.6175.9000111.7T144 R145 S150 L151 V152T144-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CG 4.23Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 VanDerWaalsContact O-CG 3.24Å; T144-L148 WeakPolarHBondContact O-CG 3.41Å; T144-L148 PolarHBondContact O-N 3.15Å; R145-L148 PolarHBondContact O-N 3.33Å; R145-L148 VanDerWaalsContact O-N 3.14Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.46Å; L148-L151 HydrophobicContact CD2-CD1 4.37Å; L148-L151 WeakPolarHBondContact O-CB 3.28Å; L148-L151 PolarHBondContact O-N 2.97Å; L148-V152 WeakPolarHBondContact O-CB 3.4Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.28Å
149E96.5Very high90.5Very high91 Ų9191.8 Ų91.843%0.42551%0.505SS..Hα-helixtrans-57.2-47.9173.7-77170.9174.500110.8R145 L151 V152 E153R145-E149 WeakPolarHBondContact CD-OE1 3.1Å; R145-E149 HydrophobicContact CG-CG 4.29Å; R145-E149 WeakPolarHBondContact CG-OE1 3.41Å; R145-E149 IonicContact NE-OE1 3.32Å; R145-E149 WeakPolarHBondContact O-CB 3.29Å; R145-E149 WeakPolarHBondContact O-CG 3.44Å; R145-E149 PolarHBondContact O-N 2.95Å; E149-L151 VanDerWaalsContact C-N 3.33Å; E149-L151 PolarHBondContact O-N 3.21Å; E149-V152 CarbonylContact O-C 3.57Å; E149-V152 PolarHBondContact O-N 3.5Å; E149-V152 VanDerWaalsContact O-N 3.08Å; E149-E153 WeakPolarHBondContact O-CG 3.35Å; E149-E153 PolarHBondContact O-N 3.43Å
150S95.4Very high91.3Very high60 Ų6090.3 Ų90.342%0.4250%0.503SS..Hα-helixtrans-58.7-41175.3-179.60000112.8K146 L148 M154K146-S150 PolarHBondContact O-N 3.49Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.46Å; S150-M154 WeakPolarHBondContact O-CG 3.34Å; S150-M154 PolarHBondContact O-N 3.09Å
151L95.2Very high90.8Very high99 Ų9993.1 Ų93.152%0.51852%0.523SS..Hα-helixtrans-64.9-40.7174.4-71.3174.3000112.2A147 L148 E149 M154 K155A147-L151 WeakPolarHBondContact O-CG 3.22Å; A147-L151 PolarHBondContact O-N 3.19Å; A147-L151 VanDerWaalsContact O-N 3.14Å; L148-L151 HydrophobicContact CD2-CD1 4.37Å; L148-L151 WeakPolarHBondContact O-CB 3.28Å; L148-L151 PolarHBondContact O-N 2.97Å; E149-L151 VanDerWaalsContact C-N 3.33Å; E149-L151 PolarHBondContact O-N 3.21Å; L151-M154 HydrophobicContact CD2-CE 3.63Å; L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 3.29Å
152V95.7Very high89.9Confident85 Ų8595.3 Ų95.352%0.51554%0.536SS..Hα-helixtrans-66.6-45.3178.6170.20000110.5L148 E149 M154 K155 V156L148-V152 WeakPolarHBondContact O-CB 3.4Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.28Å; E149-V152 CarbonylContact O-C 3.57Å; E149-V152 PolarHBondContact O-N 3.5Å; E149-V152 VanDerWaalsContact O-N 3.08Å; V152-M154 VanDerWaalsContact C-N 3.3Å; V152-M154 PolarHBondContact O-N 3.29Å; V152-K155 CarbonylContact O-C 3.54Å; V152-K155 WeakPolarHBondContact O-CA 3.42Å; V152-K155 WeakPolarHBondContact O-CB 2.97Å; V152-K155 PolarHBondContact O-N 2.98Å; V152-V156 HydrophobicContact CG1-CG2 3.93Å; V152-V156 WeakPolarHBondContact O-CG2 3.36Å; V152-V156 PolarHBondContact O-N 2.97Å
153E92.8Very high89Confident138 Ų13898.1 Ų98.165%0.64554%0.543SS*.Hα-helixtrans-54.7-45176.3-75.9177.4177.100111.7E149 K155 V156 A157E149-E153 WeakPolarHBondContact O-CG 3.35Å; E149-E153 PolarHBondContact O-N 3.43Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 2.86Å; E153-V156 PolarHBondContact O-N 3Å; E153-A157 VanDerWaalsContact O-CB 3.3Å; E153-A157 WeakPolarHBondContact O-CB 2.9Å; E153-A157 PolarHBondContact O-N 3.09Å
154M90.2Very high88Confident115 Ų115103.5 Ų103.557%0.56756%0.56SS**Hα-helixtrans-61.7-37.2175.2-71.8-170.5-71.300113S150 L151 V152 A158S150-M154 WeakPolarHBondContact O-CG 3.34Å; S150-M154 PolarHBondContact O-N 3.09Å; L151-M154 HydrophobicContact CD2-CE 3.63Å; V152-M154 VanDerWaalsContact C-N 3.3Å; V152-M154 PolarHBondContact O-N 3.29Å; M154-A158 PolarHBondContact O-N 3.28Å
155K93.3Very high87.2Confident162 Ų162103.3 Ų103.370%0.70457%0.566SS**Hα-helixtrans-72.9-41.4177.6-67.3-67.6-179.8-176.10111.9L151 V152 E153 A158 A159L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 3.29Å; V152-K155 CarbonylContact O-C 3.54Å; V152-K155 WeakPolarHBondContact O-CA 3.42Å; V152-K155 WeakPolarHBondContact O-CB 2.97Å; V152-K155 PolarHBondContact O-N 2.98Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 2.86Å; K155-A158 PolarHBondContact O-N 2.99Å; K155-A159 PolarHBondContact O-N 3.28Å
156V91.8Very high86.3Confident91 Ų91103.9 Ų103.955%0.55257%0.574SS**Hα-helixtrans-64.9-44177.5173.50000110.4V152 E153 A158 A159 A160V152-V156 HydrophobicContact CG1-CG2 3.93Å; V152-V156 WeakPolarHBondContact O-CG2 3.36Å; V152-V156 PolarHBondContact O-N 2.97Å; E153-V156 PolarHBondContact O-N 3Å; V156-A158 PolarHBondContact O-N 3.42Å; V156-A159 PolarHBondContact O-N 2.54Å; V156-A160 PolarHBondContact O-N 3.21Å
157A86.8Confident85.6Confident55 Ų55107.8 Ų107.846%0.45559%0.591SS.*Hα-helixtrans-59-31.8175.900000112.9E153E153-A157 VanDerWaalsContact O-CB 3.3Å; E153-A157 WeakPolarHBondContact O-CB 2.9Å; E153-A157 PolarHBondContact O-N 3.09Å
158A85.3Confident85Confident61 Ų61108.7 Ų108.750%0.50459%0.591SS.*Hα-helixtrans-74.5-28.6175.600000113.8M154 K155 V156M154-A158 PolarHBondContact O-N 3.28Å; K155-A158 PolarHBondContact O-N 2.99Å; V156-A158 PolarHBondContact O-N 3.42Å
159A87.5Confident84.4Confident82 Ų82108.9 Ų108.968%0.67859%0.592SS**Hα-helixtrans-91-16.9-177.900000114K155 V156K155-A159 PolarHBondContact O-N 3.28Å; V156-A159 PolarHBondContact O-N 2.54Å
160A82.8Confident84.1Confident44 Ų44109.7 Ų109.736%0.36461%0.605SS.*  trans-59.7127.6178.300000110.9V156 V162V156-A160 PolarHBondContact O-N 3.21Å; A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 2.82Å
161P72.7Confident84Confident135 Ų135108.5 Ų108.588%0.87760%0.6SS**SBendtrans-68-25.8-169.423-32.4000114
162V71.2Confident84Confident123 Ų123109.7 Ų109.775%0.74560%0.602SS**SBendtrans-130.2118.8173.7-1730000107.1A160A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 2.82Å
163R68.5Low83.9Confident136 Ų136112.9 Ų112.951%0.51361%0.606SS.*PPolyproline II helixtrans-80.7124.1171.2-64.4-171.7-176.6-165.35.1108
164R70.6Confident84Confident232 Ų232110.3 Ų110.388%0.87560%0.596SS**PPolyproline II helixtrans-60.1140.4164.7-71.1-174.8-175.5-178.21.9107.4E166R164-E166 PolarHBondContact O-N 3.35Å
165A74.3Confident84.3Confident76 Ų76112.3 Ų112.363%0.62860%0.598SS**PPolyproline II helixtrans-55.1116.9172.500000108.7K167A165-K167 PolarHBondContact O-N 3.42Å
166E76.1Confident84.4Confident131 Ų131109.9 Ų109.961%0.61259%0.585SS**PPolyproline II helixtrans-65.6132.1179.8-71.1167.4-171.600108.3R164R164-E166 PolarHBondContact O-N 3.35Å
167K79.4Confident84.6Confident195 Ų195108.7 Ų108.785%0.84858%0.578SS**PPolyproline II helixtrans-71.1133171.2-69.4-176.4179.2-178.60107.5A165 N169A165-K167 PolarHBondContact O-N 3.42Å; K167-N169 PolarHBondContact O-N 3.43Å
168T81.9Confident84.8Confident75 Ų75106.4 Ų106.446%0.4656%0.558SS.*PPolyproline II helixtrans-62.7132.5174.346.30000109.7Q200T168-Q200 HydrophobicContact CG2-CB 3.77Å; T168-Q200 HydrophobicContact CG2-CG 3.88Å
169N84.8Confident85.2Confident100 Ų100109.1 Ų109.154%0.53557%0.574SS.*PPolyproline II helixtrans-62.9151.3174.1-71-50.9000110.6K167 E198K167-N169 PolarHBondContact O-N 3.43Å; N169-E198 PolarHBondContact ND2-OE2 3.07Å
170P90Very high85.3Confident108 Ų108111.2 Ų111.270%0.70157%0.569SS**PPolyproline II helixtrans-61.8155.4176.127.5-34.6000111E172P170-E172 PolarHBondContact O-N 3.21Å
171A92.3Very high85.6Confident36 Ų36114.9 Ų114.930%0.29858%0.579SS.*PPolyproline II helixtrans-64.4127.2178.600000111.1R195 M196 V197A171-R195 HydrophobicContact CB-CG 4.09Å; A171-M196 WeakPolarHBondContact CA-O 3.28Å; A171-V197 HydrophobicContact CB-CG2 3.89Å
172E95.1Very high86.4Confident123 Ų123110.3 Ų110.358%0.57556%0.556SS**EExtended strand (participates in β ladder)trans-99.6144.6177.5-65.6-175.4171.400110.6P170 R195 M196P170-E172 PolarHBondContact O-N 3.21Å; E172-R195 CarbonylContact O-C 3.56Å; E172-R195 WeakPolarHBondContact O-CA 3.44Å; E172-M196 PolarHBondContact N-O 2.74Å; E172-M196 PolarHBondContact O-N 3.31Å
173Y95.4Very high87.2Confident152 Ų152108.8 Ų108.860%0.59656%0.557SS**EExtended strand (participates in β ladder)trans-112.1114.5176.9-69-94.7000110V194 R195Y173-V194 CarbonylContact C-O 3.51Å; Y173-V194 WeakPolarHBondContact CA-O 3.42Å; Y173-R195 HydrophobicContact CD1-CB 3.99Å; Y173-R195 HydrophobicContact CD1-CG 4.27Å; Y173-R195 HydrophobicContact CE1-CB 3.72Å; Y173-R195 HydrophobicContact CE1-CG 3.76Å; Y173-R195 HydrophobicContact CE2-CG 4.38Å
174I95Very high88.3Confident85 Ų85107 Ų10744%0.43657%0.57SS.*EExtended strand (participates in β ladder)trans-103.2127.2178.4-54.6179000108.9Y176 V194 M196I174-Y176 PolarHBondContact O-N 3.17Å; I174-V194 PolarHBondContact N-O 2.86Å; I174-V194 PolarHBondContact O-N 3.3Å; I174-M196 HydrophobicContact CD1-CG 3.63Å; I174-M196 HydrophobicContact CG1-CG 4.1Å
175R96Very high89.1Confident157 Ų157100.6 Ų100.659%0.59255%0.549SS*.EExtended strand (participates in β ladder)trans-84.2108.9170.8-179.4-176.1-65.4-78.8-3.9109Q191R175-Q191 VanDerWaalsContact CD-OE1 3.28Å
176Y94.9Very high89.7Confident110 Ų11099.4 Ų99.443%0.43153%0.532SS..EExtended strand (participates in β ladder)trans-102.7126.2179.2179-119.6000110.9I174 P178 Q191 R192I174-Y176 PolarHBondContact O-N 3.17Å; Y176-P178 HydrophobicContact CD1-CG 3.9Å; Y176-P178 HydrophobicContact CE1-CB 3.89Å; Y176-P178 HydrophobicContact CE1-CG 3.73Å; Y176-P178 WeakPolarHBondContact O-CD 3.27Å; Y176-Q191 WeakPolarHBondContact O-CA 3.46Å; Y176-R192 HydrophobicContact CD1-CG 3.84Å; Y176-R192 HydrophobicContact CG-CG 4.44Å; Y176-R192 PolarHBondContact N-O 3.35Å; Y176-R192 PolarHBondContact O-N 3.09Å
177T94.9Very high90.3Very high66 Ų6699.2 Ų99.241%0.40555%0.546SS..  trans-102.5106.3170-530000107.9Q191T177-Q191 HydrophobicContact CG2-CG 4.27Å; T177-Q191 WeakPolarHBondContact OG1-CG 3.4Å; T177-Q191 PolarHBondContact OG1-NE2 3.06Å; T177-Q191 VanDerWaalsContact OG1-NE2 3.08Å
178P92.7Very high90.6Very high8 Ų892.1 Ų92.15%0.05253%0.528CS..  trans-64.5140179-1932.5000111.3Y176 Q180 Q181 K190Y176-P178 HydrophobicContact CD1-CG 3.9Å; Y176-P178 HydrophobicContact CE1-CB 3.89Å; Y176-P178 HydrophobicContact CE1-CG 3.73Å; Y176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-Q180 VanDerWaalsContact C-N 3.34Å; P178-Q181 WeakPolarHBondContact O-CG 3.48Å; P178-K190 WeakPolarHBondContact CD-O 3.5Å
179S92.8Very high91Very high118 Ų11891 Ų9183%0.82553%0.527SS*.SBendtrans-66.7-38.8172.156.10000111.5Q181S179-Q181 PolarHBondContact O-N 3.04Å
180Q90.3Very high91.4Very high125 Ų12594 Ų9458%0.58453%0.534SS*.SBendtrans-78.599.4172.5-169.6174.132.100109.5P178 F185P178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-F185 HydrophobicContact CG-CD2 4.13Å; Q180-F185 HydrophobicContact CG-CE2 3.98Å; Q180-F185 HydrophobicContact CG-CZ 4.46Å
181Q89Confident91.6Very high122 Ų12292.4 Ų92.457%0.5752%0.518SS*.  trans-101.2150174.4-60.1-173.55.100110.2P178 S179P178-Q181 WeakPolarHBondContact O-CG 3.48Å; S179-Q181 PolarHBondContact O-N 3.04Å
182G88.3Confident91.6Very high39 Ų3995.6 Ų95.640%0.40252%0.522SS..  trans169.4148.6175.900000109.9A184 F185G182-A184 PolarHBondContact O-N 3.15Å; G182-A184 VanDerWaalsContact O-N 3.17Å; G182-F185 PolarHBondContact O-N 3.44Å; G182-F185 VanDerWaalsContact O-O 3.11Å
183A88.9Confident91.6Very high91 Ų9194.9 Ų94.975%0.75252%0.522SS*.THydrogen-bonded Turntrans-59.8-29-177.500000112.9F185 G188A183-F185 VanDerWaalsContact C-N 3.34Å; A183-G188 PolarHBondContact O-N 2.94Å
184A90.8Very high91.5Very high97 Ų9790.1 Ų90.180%0.80251%0.508SS*.THydrogen-bonded Turntrans-74.7-20.7176.200000113.8G182G182-A184 PolarHBondContact O-N 3.15Å; G182-A184 VanDerWaalsContact O-N 3.17Å
185F88Confident91.6Very high99 Ų9993.5 Ų93.543%0.43452%0.516SS..SBendtrans-96.6148.4179.4-65-68.8000110.7Q180 G182 A183 S187 G188Q180-F185 HydrophobicContact CG-CD2 4.13Å; Q180-F185 HydrophobicContact CG-CE2 3.98Å; Q180-F185 HydrophobicContact CG-CZ 4.46Å; G182-F185 PolarHBondContact O-N 3.44Å; G182-F185 VanDerWaalsContact O-O 3.11Å; A183-F185 VanDerWaalsContact C-N 3.34Å; F185-S187 PolarHBondContact O-N 3.17Å; F185-S187 VanDerWaalsContact O-N 3.09Å; F185-G188 PolarHBondContact O-N 3.21Å
186N86.8Confident91.5Very high50 Ų5090.8 Ų90.827%0.26751%0.511SS..G310 helixtrans52.733.4175.8-162.438.1000113.6G188 A189 Q191N186-G188 PolarHBondContact O-N 3.02Å; N186-G188 VanDerWaalsContact O-N 3.08Å; N186-A189 PolarHBondContact ND2-O 3.25Å; N186-A189 WeakPolarHBondContact O-CB 3.38Å; N186-A189 PolarHBondContact O-N 3.41Å; N186-Q191 VanDerWaalsContact ND2-C 3.33Å; N186-Q191 PolarHBondContact ND2-O 3.39Å
187S88.2Confident91.5Very high128 Ų12889.9 Ų89.990%0.89552%0.516SS*.G310 helixtrans49.734.2-176.3-53.80000113.7F185 A189F185-S187 PolarHBondContact O-N 3.17Å; F185-S187 VanDerWaalsContact O-N 3.09Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.12Å
188G86.8Confident91.3Very high46 Ų4691.6 Ų91.647%0.47452%0.52SS..G310 helixtrans81.7-4.7-178.600000115.4A183 F185 N186A183-G188 PolarHBondContact O-N 2.94Å; F185-G188 PolarHBondContact O-N 3.21Å; N186-G188 PolarHBondContact O-N 3.02Å; N186-G188 VanDerWaalsContact O-N 3.08Å
189A90.8Very high91.2Very high52 Ų5298.7 Ų98.743%0.4355%0.554SS.*  trans-76.3136177.700000111.5N186 S187 Q191N186-A189 PolarHBondContact ND2-O 3.25Å; N186-A189 WeakPolarHBondContact O-CB 3.38Å; N186-A189 PolarHBondContact O-N 3.41Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.12Å; A189-Q191 VanDerWaalsContact C-N 3.28Å; A189-Q191 PolarHBondContact O-N 3.39Å
190K92.4Very high91.1Very high161 Ų161100.5 Ų100.570%0.755%0.55SS*.SBendtrans-68.7-26176.6-69.1-178.2178.4179.40113.4P178P178-K190 WeakPolarHBondContact CD-O 3.5Å
191Q94.1Very high90.9Very high76 Ų76100.9 Ų100.936%0.35555%0.55SS..  trans-135.7157-175.2-61.8-177.1-22.800110.1R175 Y176 T177 N186 A189R175-Q191 VanDerWaalsContact CD-OE1 3.28Å; Y176-Q191 WeakPolarHBondContact O-CA 3.46Å; T177-Q191 HydrophobicContact CG2-CG 4.27Å; T177-Q191 WeakPolarHBondContact OG1-CG 3.4Å; T177-Q191 PolarHBondContact OG1-NE2 3.06Å; T177-Q191 VanDerWaalsContact OG1-NE2 3.08Å; N186-Q191 VanDerWaalsContact ND2-C 3.33Å; N186-Q191 PolarHBondContact ND2-O 3.39Å; A189-Q191 VanDerWaalsContact C-N 3.28Å; A189-Q191 PolarHBondContact O-N 3.39Å
192R92.8Very high91Very high102 Ų10299.2 Ų99.239%0.38554%0.544SS..EExtended strand (participates in β ladder)trans-127.5141.5170.165.3-173.988.5172.55.2109.4Y176 V194Y176-R192 HydrophobicContact CD1-CG 3.84Å; Y176-R192 HydrophobicContact CG-CG 4.44Å; Y176-R192 PolarHBondContact N-O 3.35Å; Y176-R192 PolarHBondContact O-N 3.09Å; R192-V194 HydrophobicContact CG-CG2 4.18Å
193L94.2Very high90.9Very high109 Ų109102 Ų10257%0.57156%0.556SS**EExtended strand (participates in β ladder)trans-92.7125.7169.7-85.373.1000107.9
194V94.5Very high90.8Very high52 Ų52105.4 Ų105.432%0.31556%0.558SS.*EExtended strand (participates in β ladder)trans-109.5122.6178.2-175.90000107.9Y173 I174 R192 M196Y173-V194 CarbonylContact C-O 3.51Å; Y173-V194 WeakPolarHBondContact CA-O 3.42Å; I174-V194 PolarHBondContact N-O 2.86Å; I174-V194 PolarHBondContact O-N 3.3Å; R192-V194 HydrophobicContact CG-CG2 4.18Å; V194-M196 HydrophobicContact CG1-CG 4.38Å; V194-M196 HydrophobicContact CG1-SD 3.75Å
195R96.1Very high90.7Very high156 Ų156104.6 Ų104.659%0.58954%0.538SS*.EExtended strand (participates in β ladder)trans-85.4109.5169.8-174.7-174.9177.3-171.2-1.3108.3A171 E172 Y173 V197A171-R195 HydrophobicContact CB-CG 4.09Å; E172-R195 CarbonylContact O-C 3.56Å; E172-R195 WeakPolarHBondContact O-CA 3.44Å; Y173-R195 HydrophobicContact CD1-CB 3.99Å; Y173-R195 HydrophobicContact CD1-CG 4.27Å; Y173-R195 HydrophobicContact CE1-CB 3.72Å; Y173-R195 HydrophobicContact CE1-CG 3.76Å; Y173-R195 HydrophobicContact CE2-CG 4.38Å; R195-V197 HydrophobicContact CG-CG2 4.1Å
196M95.2Very high90.7Very high99 Ų99104.6 Ų104.649%0.48855%0.547SS..EExtended strand (participates in β ladder)trans-87.9127.4173.2-63.4-60.1-7000108.9A171 E172 I174 V194A171-M196 WeakPolarHBondContact CA-O 3.28Å; E172-M196 PolarHBondContact N-O 2.74Å; E172-M196 PolarHBondContact O-N 3.31Å; I174-M196 HydrophobicContact CD1-CG 3.63Å; I174-M196 HydrophobicContact CG1-CG 4.1Å; V194-M196 HydrophobicContact CG1-CG 4.38Å; V194-M196 HydrophobicContact CG1-SD 3.75Å
197V94.2Very high90.9Very high91 Ų91107.9 Ų107.955%0.55257%0.571SS**  trans-129125.2174.7-176.40000107A171 R195 M199A171-V197 HydrophobicContact CB-CG2 3.89Å; R195-V197 HydrophobicContact CG-CG2 4.1Å; V197-M199 PolarHBondContact O-N 3.1Å
198E90.8Very high91.1Very high102 Ų102107.6 Ų107.648%0.47755%0.554SS.*PPolyproline II helixtrans-68.1125.8173.7-173172.8-171.800109.5N169 Q200N169-E198 PolarHBondContact ND2-OE2 3.07Å; E198-Q200 PolarHBondContact O-N 3.09Å
199M91.3Very high91.5Very high157 Ų157113.7 Ų113.777%0.77357%0.568SS**PPolyproline II helixtrans-67.6123.1178.2-176.5174.268.600109.3V197 K201V197-M199 PolarHBondContact O-N 3.1Å; M199-K201 PolarHBondContact O-N 3.09Å
200Q89.8Confident91.6Very high156 Ų156120.1 Ų120.173%0.72959%0.586SS**PPolyproline II helixtrans-57.6122.3178.8-171.61759.500110.3T168 E198T168-Q200 HydrophobicContact CG2-CB 3.77Å; T168-Q200 HydrophobicContact CG2-CG 3.88Å; E198-Q200 PolarHBondContact O-N 3.09Å
201K87.1Confident91.6Very high134 Ų134120 Ų12058%0.58359%0.591SS**PPolyproline II helixtrans-85.1132-179.9-170.7177.4179.2-177.80110.3M199 P203M199-K201 PolarHBondContact O-N 3.09Å; K201-P203 WeakPolarHBondContact O-CD 3.28Å
202D89.1Confident91.7Very high86 Ų86122.4 Ų122.446%0.4661%0.607SS.*PPolyproline II helixtrans-70.9121.5175.5176.53.8000109.9M204 E205D202-M204 PolarHBondContact O-N 3.13Å; D202-M204 PolarHBondContact OD1-N 3.26Å; D202-E205 HydrophobicContact CB-CB 3.83Å; D202-E205 PolarHBondContact O-N 3.16Å
203P86.3Confident91.7Very high98 Ų98125.1 Ų125.164%0.63662%0.624SS**THydrogen-bonded Turntrans-66.2-17.8178.428-35.7000113.9K201K201-P203 WeakPolarHBondContact O-CD 3.28Å
204M87.5Confident91.7Very high163 Ų163129.6 Ų129.680%0.80364%0.639SS**THydrogen-bonded Turntrans-97.5-3179-58.7-58.4-70.600113.1D202 P206D202-M204 PolarHBondContact O-N 3.13Å; D202-M204 PolarHBondContact OD1-N 3.26Å; M204-P206 WeakPolarHBondContact O-CD 3.39Å
205E88.3Confident91.7Very high80 Ų80133.7 Ų133.737%0.37466%0.657SS.*PPolyproline II helixtrans-75.5122.5-179.9-176.9174.5-138.700110.8D202 K208D202-E205 HydrophobicContact CB-CB 3.83Å; D202-E205 PolarHBondContact O-N 3.16Å; E205-K208 WeakPolarHBondContact OE1-CE 3.25Å; E205-K208 IonicContact OE1-NZ 3.14Å; E205-K208 PolarHBondContact OE1-NZ 3.08Å; E205-K208 VanDerWaalsContact OE1-NZ 3.14Å; E205-K208 WeakPolarHBondContact OE2-CE 3.28Å; E205-K208 IonicContact OE2-NZ 3.02Å; E205-K208 PolarHBondContact OE2-NZ 3.29Å
206P89.6Confident91.7Very high98 Ų98131.9 Ų131.964%0.63667%0.666SS**PPolyproline II helixtrans-69.4165.7176.529.9-35.2000111.7M204 K208M204-P206 WeakPolarHBondContact O-CD 3.39Å; P206-K208 PolarHBondContact O-N 3.37Å; P206-K208 VanDerWaalsContact O-N 3.13Å
207P90.3Very high91.7Very high119 Ų119138.9 Ų138.977%0.77369%0.687SS**PPolyproline II helixtrans-54.4119.6175-25.934.9000112.7F209P207-F209 PolarHBondContact O-N 3.43Å
208K92.1Very high91.7Very high123 Ų123136.9 Ų136.954%0.53569%0.685SS.*SBendtrans-61.7-34.5-173.9-68.9-179.3175.7175.90115E205 P206E205-K208 WeakPolarHBondContact OE1-CE 3.25Å; E205-K208 IonicContact OE1-NZ 3.14Å; E205-K208 PolarHBondContact OE1-NZ 3.08Å; E205-K208 VanDerWaalsContact OE1-NZ 3.14Å; E205-K208 WeakPolarHBondContact OE2-CE 3.28Å; E205-K208 IonicContact OE2-NZ 3.02Å; E205-K208 PolarHBondContact OE2-NZ 3.29Å; P206-K208 PolarHBondContact O-N 3.37Å; P206-K208 VanDerWaalsContact O-N 3.13Å
209F94.2Very high91.9Very high174 Ų174138 Ų13876%0.76370%0.701SS**SBendtrans-127.6148.9-169.1-51.4-64.2000111.8P207 I211P207-F209 PolarHBondContact O-N 3.43Å; F209-I211 PolarHBondContact O-N 3.08Å
210K93.5Very high92Very high186 Ų186136 Ų13681%0.80970%0.7SS**  trans-75121.1174.6-66.2-177.8-179.8177.90110
211I93.6Very high92.1Very high158 Ų158132.1 Ų132.181%0.8169%0.69SS**  trans-94.6-8.1-178.4-57.4165.3000112F209 Q213F209-I211 PolarHBondContact O-N 3.08Å; I211-Q213 PolarHBondContact O-N 3.01Å
212N94.4Very high92.3Very high127 Ų127127.8 Ų127.868%0.67968%0.675SS**  trans-81.311.6-17468.4-32.3000114.9K214N212-K214 PolarHBondContact O-N 3.17Å
213Q94.1Very high92.4Very high160 Ų160128.9 Ų128.975%0.74869%0.687SS**  trans-68.6113.5176.6-172.9174.63.300109.9I211 I215I211-Q213 PolarHBondContact O-N 3.01Å; Q213-I215 PolarHBondContact O-N 2.95Å
214K94.7Very high92.7Very high203 Ų203128.8 Ų128.888%0.88369%0.686SS**  trans-86.6109.7178-64.4-177.7-178.1-179.70109.5N212N212-K214 PolarHBondContact O-N 3.17Å
215I94.2Very high93Very high137 Ų137122.8 Ų122.870%0.70366%0.66SS**PPolyproline II helixtrans-93.3146.817056.6176.1000110Q213Q213-I215 PolarHBondContact O-N 2.95Å
216P95.8Very high93.3Very high119 Ų119125.9 Ų125.977%0.77368%0.678SS**PPolyproline II helixtrans-55.8153.1168.5-22.433.4000110.6G218P216-G218 PolarHBondContact O-N 3.23Å
217R95.6Very high93.5Very high245 Ų245124 Ų12493%0.92566%0.662SS**PPolyproline II helixtrans-59.5130.5172.3-170.9178.1-70-97.61108.3
218G93.8Very high93.7Very high50 Ų50124.6 Ų124.652%0.51565%0.654SS.*PPolyproline II helixtrans-59.1168.7173.100000111.9P216P216-G218 PolarHBondContact O-N 3.23Å
219P94.3Very high93.8Very high125 Ų125123.1 Ų123.181%0.81266%0.659SS**PPolyproline II helixtrans-56.1143.9174.526.2-33.8000109.6
220P93.6Very high93.7Very high116 Ų116120.4 Ų120.475%0.75366%0.658SS**PPolyproline II helixtrans-62.4167.5171.230.6-35.1000109.5
221S91.8Very high93.7Very high74 Ų74116.2 Ų116.252%0.51766%0.659SS.*SBendtrans-57150.7164.963.60000110
222P91.5Very high93.8Very high42 Ų42119.4 Ų119.427%0.27366%0.66SS.*  trans-43.4135.3177.1-23.624.1000111.6Q100Q100-P222 WeakPolarHBondContact O-CG 3.3Å
223P91.5Very high93.8Very high109 Ų109123 Ų12371%0.70867%0.67SS**PPolyproline II helixtrans-64.5131.5-174.125.9-33.2000109.6
224P92.7Very high93.8Very high96 Ų96119.5 Ų119.562%0.62366%0.659SS**PPolyproline II helixtrans-66151.1173.929-34.2000110.2
225P94.3Very high93.8Very high37 Ų37113.5 Ų113.524%0.2464%0.64CS.*PPolyproline II helixtrans-59.1140.4174.4-25.637.5000112V98 I108 Y109 M227V98-P225 HydrophobicContact CB-CG 4.31Å; V98-P225 VanDerWaalsContact CG1-CD 3.47Å; V98-P225 HydrophobicContact CG1-CG 3.38Å; V98-P225 HydrophobicContact CG2-CG 4.01Å; I108-P225 HydrophobicContact CG2-CG 4.22Å; Y109-P225 WeakPolarHBondContact O-CD 3.43Å; Y109-P225 VanDerWaalsContact O-CG 3.27Å; Y109-P225 WeakPolarHBondContact O-CG 3.48Å; P225-M227 HydrophobicContact CB-SD 4.18Å; P225-M227 PolarHBondContact O-N 3.45Å
226L94.1Very high93.9Very high145 Ų145112.1 Ų112.176%0.75964%0.638SS**  trans-82.3101.6177.2-65.3177.7000110H228L226-H228 VanDerWaalsContact C-N 3.27Å; L226-H228 PolarHBondContact O-N 3.02Å; L226-H228 VanDerWaalsContact O-N 3.1Å
227M93Very high94Very high60 Ų60113.4 Ų113.430%0.29663%0.631SS.*  trans-87.459-176.6-61.3-53.6-85.300111.2K111 D114 L115 P225K111-M227 VanDerWaalsContact O-CE 3.25Å; K111-M227 WeakPolarHBondContact O-CE 3.48Å; D114-M227 HydrophobicContact CB-CE 3.81Å; L115-M227 HydrophobicContact CD1-CE 4.27Å; L115-M227 HydrophobicContact CD2-CB 3.57Å; L115-M227 HydrophobicContact CD2-CE 4.02Å; L115-M227 VanDerWaalsContact CD2-O 3.3Å; L115-M227 WeakPolarHBondContact CD2-O 3.43Å; L115-M227 HydrophobicContact CG-CB 4.48Å; L115-M227 HydrophobicContact CG-CE 3.64Å; P225-M227 HydrophobicContact CB-SD 4.18Å; P225-M227 PolarHBondContact O-N 3.45Å
228H94.4Very high94Very high131 Ų131105.7 Ų105.761%0.60661%0.606SS**PPolyproline II helixtrans-89.7157.4178.8-66.1-45.3000112.6L226L226-H228 VanDerWaalsContact C-N 3.27Å; L226-H228 PolarHBondContact O-N 3.02Å; L226-H228 VanDerWaalsContact O-N 3.1Å
229S93.9Very high94.1Very high91 Ų91109.3 Ų109.364%0.63661%0.609SS**PPolyproline II helixtrans-61.2158.2160.461.80000110.3A231S229-A231 PolarHBondContact O-N 3.37Å
230P93.4Very high94.2Very high117 Ų117109.6 Ų109.676%0.7660%0.6SS**PPolyproline II helixtrans-48.7140.1169.3-27.335.5000111.8R232P230-R232 PolarHBondContact O-N 3.13Å
231A94.1Very high94.4Very high98 Ų98109.6 Ų109.681%0.8159%0.593SS**PPolyproline II helixtrans-58126.2-178.200000110.3S229 K233S229-A231 PolarHBondContact O-N 3.37Å; A231-K233 PolarHBondContact O-N 3.44Å
232R94.3Very high94.6Very high225 Ų225115.2 Ų115.285%0.84960%0.603SS**PPolyproline II helixtrans-64.5135.2174.7-59.8-173-1521655.8108.6P230 V234P230-R232 PolarHBondContact O-N 3.13Å; R232-V234 PolarHBondContact O-N 3.06Å
233K94.4Very high94.9Very high202 Ų202121.2 Ų121.288%0.87863%0.625SS**  trans-70.2105.3176.9-66.7-175.9-179.9-179.20108.9A231 T235A231-K233 PolarHBondContact O-N 3.44Å; K233-T235 PolarHBondContact O-N 3.48Å
234V94.2Very high95.1Very high87 Ų87123.1 Ų123.153%0.52763%0.628SS.*  trans-68.3126.1174.51800000108.6R232 E238 Q239R232-V234 PolarHBondContact O-N 3.06Å; V234-E238 HydrophobicContact CG1-CB 4.45Å; V234-E238 HydrophobicContact CG1-CG 4.43Å; V234-Q239 HydrophobicContact CG1-CB 4.21Å
235T95.9Very high95.2Very high78 Ų78123.6 Ų123.648%0.47963%0.631SS.*  trans-79.5150.4176.266.70000110.6K233 K237 E238 Q239K233-T235 PolarHBondContact O-N 3.48Å; T235-K237 PolarHBondContact O-N 3.45Å; T235-E238 PolarHBondContact N-OE2 3.09Å; T235-E238 PolarHBondContact O-N 3.09Å; T235-E238 VanDerWaalsContact O-N 3.15Å; T235-E238 WeakPolarHBondContact OG1-CB 3.19Å; T235-E238 PolarHBondContact OG1-N 3.1Å; T235-E238 VanDerWaalsContact OG1-N 3.09Å; T235-Q239 PolarHBondContact O-N 3.2Å
236V96.3Very high95.2Very high108 Ų108127 Ų12766%0.65565%0.653SS**Hα-helixtrans-58.3-36.4176178.60000110.9Q239 Q240V236-Q239 PolarHBondContact O-N 3.16Å; V236-Q240 VanDerWaalsContact O-CG 3.31Å; V236-Q240 WeakPolarHBondContact O-CG 3.41Å; V236-Q240 PolarHBondContact O-N 3.08Å
237K96.2Very high95.2Very high145 Ų145126.2 Ų126.263%0.6366%0.658SS**Hα-helixtrans-60.2-52.7174.4-177.4-177.4176-175.70111.3T235 Q239 Q240 D241T235-K237 PolarHBondContact O-N 3.45Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; K237-Q239 PolarHBondContact O-N 3.09Å; K237-Q240 WeakPolarHBondContact O-CB 3.04Å; K237-Q240 PolarHBondContact O-N 2.95Å; K237-D241 VanDerWaalsContact O-CG 3.29Å; K237-D241 PolarHBondContact O-N 3.15Å
238E96.6Very high95.2Very high84 Ų84125.4 Ų125.439%0.39365%0.654SS.*Hα-helixtrans-57.2-44.6177.3-178.9179.2-166.800111.3V234 T235 Q240 D241 W242V234-E238 HydrophobicContact CG1-CB 4.45Å; V234-E238 HydrophobicContact CG1-CG 4.43Å; T235-E238 PolarHBondContact N-OE2 3.09Å; T235-E238 PolarHBondContact O-N 3.09Å; T235-E238 VanDerWaalsContact O-N 3.15Å; T235-E238 WeakPolarHBondContact OG1-CB 3.19Å; T235-E238 PolarHBondContact OG1-N 3.1Å; T235-E238 VanDerWaalsContact OG1-N 3.09Å; E238-Q240 VanDerWaalsContact C-N 3.25Å; E238-Q240 PolarHBondContact O-N 3.1Å; E238-D241 PolarHBondContact O-N 3.01Å; E238-W242 PolarHBondContact O-N 3.38Å
239Q96.2Very high95.2Very high126 Ų126120.9 Ų120.959%0.58964%0.637SS**Hα-helixtrans-60.7-33.8176.5-174.161.842.600113.1V234 T235 V236 K237V234-Q239 HydrophobicContact CG1-CB 4.21Å; T235-Q239 PolarHBondContact O-N 3.2Å; V236-Q239 PolarHBondContact O-N 3.16Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; K237-Q239 PolarHBondContact O-N 3.09Å
240Q96.8Very high95.1Very high131 Ų131119.8 Ų119.861%0.61262%0.624SS**Hα-helixtrans-76.4-41.4176.7-73.3175.1-000112.1V236 K237 E238 W242 K243V236-Q240 VanDerWaalsContact O-CG 3.31Å; V236-Q240 WeakPolarHBondContact O-CG 3.41Å; V236-Q240 PolarHBondContact O-N 3.08Å; K237-Q240 WeakPolarHBondContact O-CB 3.04Å; K237-Q240 PolarHBondContact O-N 2.95Å; E238-Q240 VanDerWaalsContact C-N 3.25Å; E238-Q240 PolarHBondContact O-N 3.1Å; Q240-W242 PolarHBondContact O-N 2.71Å; Q240-K243 WeakPolarHBondContact O-CB 3.47Å; Q240-K243 PolarHBondContact O-N 3.46Å
241D97Very high95.1Very high116 Ų116124.6 Ų124.662%0.6263%0.628SS**Hα-helixtrans-61.5-34.2177.6-67.8-18.6000111.1K237 E238 K243K237-D241 VanDerWaalsContact O-CG 3.29Å; K237-D241 PolarHBondContact O-N 3.15Å; E238-D241 PolarHBondContact O-N 3.01Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.12Å
242W96.3Very high95.2Very high192 Ų192127.7 Ų127.773%0.72762%0.623SS**THydrogen-bonded Turntrans-85.76.3175.9-73105.8000114.6E238 Q240 I244E238-W242 PolarHBondContact O-N 3.38Å; Q240-W242 PolarHBondContact O-N 2.71Å; W242-I244 PolarHBondContact O-N 3.38Å; W242-I244 VanDerWaalsContact O-N 3.1Å
243K97.1Very high95.2Very high167 Ų167119.8 Ų119.873%0.72660%0.597SS**  trans-75.4102.2177.1-170.5176.7-178177.80110.5Q240 D241 P245Q240-K243 WeakPolarHBondContact O-CB 3.47Å; Q240-K243 PolarHBondContact O-N 3.46Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.12Å; K243-P245 WeakPolarHBondContact O-CD 3.31Å
244I96Very high95.3Very high150 Ų150116.3 Ų116.377%0.76960%0.596SS**PPolyproline II helixtrans-68.9121.5178.8-56.2177000110.2W242W242-I244 PolarHBondContact O-N 3.38Å; W242-I244 VanDerWaalsContact O-N 3.1Å
245P94.4Very high95.3Very high105 Ų105121.3 Ų121.368%0.68261%0.605SS**PPolyproline II helixtrans-61.5149.1174.9-23.534.8000112.4K243 C247K243-P245 WeakPolarHBondContact O-CD 3.31Å; P245-C247 PolarHBondContact O-N 3.09Å
246P94.4Very high95.3Very high110 Ų110120.3 Ų120.371%0.71461%0.61SS**PPolyproline II helixtrans-62.6137.3176.827.6-34.5000110.8I248P246-I248 PolarHBondContact O-N 3.48Å; P246-I248 VanDerWaalsContact O-N 3.13Å
247C93.9Very high95.3Very high127 Ų127121.4 Ų121.486%0.85860%0.603SS**  trans-75104.8175.5-174.50000110P245P245-C247 PolarHBondContact O-N 3.09Å
248I94.3Very high95.3Very high43 Ų43121.4 Ų121.422%0.22162%0.616CS.*  trans-98.3100.2170.9-62.8173.4000107.2P246 I259 K263P246-I248 PolarHBondContact O-N 3.48Å; P246-I248 VanDerWaalsContact O-N 3.13Å; I248-I259 HydrophobicContact CD1-CG2 4.04Å; I248-I259 HydrophobicContact CG1-CD1 4.38Å; I248-I259 HydrophobicContact CG2-CD1 3.79Å; I248-I259 HydrophobicContact CG2-CG2 3.99Å; I248-K263 HydrophobicContact CD1-CB 3.74Å; I248-K263 WeakPolarHBondContact CD1-O 3.21Å
249S93Very high95.2Very high36 Ų36119.1 Ų119.125%0.25261%0.606SS.*  trans-84.2136.8-178.2178.80000111.3W251 K252S249-W251 PolarHBondContact O-N 3.27Å; S249-W251 PolarHBondContact OG-N 3.05Å; S249-W251 VanDerWaalsContact OG-N 3.09Å; S249-K252 WeakPolarHBondContact CB-O 3.33Å; S249-K252 PolarHBondContact OG-N 2.86Å; S249-K252 VanDerWaalsContact OG-N 3.09Å
250N92.4Very high95.2Very high68 Ų68116.9 Ų116.936%0.36460%0.602SS.*SBendtrans-72.1-11.5169.3-72.6-29.7000113.1R264N250-R264 PolarHBondContact OD1-O 3.34Å; N250-R264 VanDerWaalsContact OD1-O 3.07Å
251W93.9Very high95Very high218 Ų218117.3 Ų117.383%0.82661%0.608SS**SBendtrans-110.8-37.9-176.9-62.3-91.1000113.9S249S249-W251 PolarHBondContact O-N 3.27Å; S249-W251 PolarHBondContact OG-N 3.05Å; S249-W251 VanDerWaalsContact OG-N 3.09Å
252K95Very high94.8Very high163 Ų163116.2 Ų116.271%0.70960%0.602SS**  trans-125.5128.4-169.5-64.8-63-177-176.30112.2S249S249-K252 WeakPolarHBondContact CB-O 3.33Å; S249-K252 PolarHBondContact OG-N 2.86Å; S249-K252 VanDerWaalsContact OG-N 3.09Å
253N94.9Very high94.7Very high59 Ų59112.2 Ų112.232%0.31659%0.59SS.*  trans-136.177.6172.5-176.37.6000109.1R255 G256 Y257N253-R255 PolarHBondContact O-N 3.27Å; N253-G256 VanDerWaalsContact ND2-C 3.33Å; N253-G256 PolarHBondContact O-N 3.03Å; N253-G256 VanDerWaalsContact O-N 3.09Å; N253-G256 PolarHBondContact OD1-N 3.42Å; N253-G256 VanDerWaalsContact OD1-N 3.16Å; N253-Y257 PolarHBondContact ND2-N 3.03Å; N253-Y257 PolarHBondContact ND2-O 3.35Å; N253-Y257 PolarHBondContact OD1-N 2.95Å
254P96.3Very high94.5Very high130 Ų130108.4 Ų108.484%0.84457%0.571SS**THydrogen-bonded Turntrans-64.5-26.2-169.225.8-34.8000113.3
255R95.6Very high94.2Very high192 Ų192105.3 Ų105.373%0.72556%0.559SS**THydrogen-bonded Turntrans-98.82178.9-68-172.5174.5170.4-1.6113.6N253 Y257N253-R255 PolarHBondContact O-N 3.27Å; R255-Y257 VanDerWaalsContact C-N 3.3Å; R255-Y257 HydrophobicContact CB-CD1 4.44Å; R255-Y257 HydrophobicContact CB-CD2 4.01Å; R255-Y257 HydrophobicContact CB-CE1 4.11Å; R255-Y257 HydrophobicContact CB-CE2 3.64Å; R255-Y257 HydrophobicContact CB-CG 4.4Å; R255-Y257 VanDerWaalsContact CD-CZ 3.49Å; R255-Y257 WeakPolarHBondContact CD-OH 3.18Å; R255-Y257 HydrophobicContact CG-CE2 4.24Å; R255-Y257 PolarHBondContact NH1-OH 3.03Å; R255-Y257 VanDerWaalsContact NH1-OH 3.08Å; R255-Y257 PolarHBondContact O-N 3.15Å
256G94.9Very high94Very high56 Ų56103.9 Ų103.958%0.57756%0.556SS**  trans63.930.1178.100000114.5N253 T258N253-G256 VanDerWaalsContact ND2-C 3.33Å; N253-G256 PolarHBondContact O-N 3.03Å; N253-G256 VanDerWaalsContact O-N 3.09Å; N253-G256 PolarHBondContact OD1-N 3.42Å; N253-G256 VanDerWaalsContact OD1-N 3.16Å; G256-T258 PolarHBondContact O-N 3.45Å
257Y96.6Very high93.6Very high131 Ų131102.7 Ų102.751%0.51456%0.555SS.*  trans-62.8135.9179.6-66-49.5000112.4N253 R255 I259N253-Y257 PolarHBondContact ND2-N 3.03Å; N253-Y257 PolarHBondContact ND2-O 3.35Å; N253-Y257 PolarHBondContact OD1-N 2.95Å; R255-Y257 VanDerWaalsContact C-N 3.3Å; R255-Y257 HydrophobicContact CB-CD1 4.44Å; R255-Y257 HydrophobicContact CB-CD2 4.01Å; R255-Y257 HydrophobicContact CB-CE1 4.11Å; R255-Y257 HydrophobicContact CB-CE2 3.64Å; R255-Y257 HydrophobicContact CB-CG 4.4Å; R255-Y257 VanDerWaalsContact CD-CZ 3.49Å; R255-Y257 WeakPolarHBondContact CD-OH 3.18Å; R255-Y257 HydrophobicContact CG-CE2 4.24Å; R255-Y257 PolarHBondContact NH1-OH 3.03Å; R255-Y257 VanDerWaalsContact NH1-OH 3.08Å; R255-Y257 PolarHBondContact O-N 3.15Å; Y257-I259 PolarHBondContact O-N 3.25Å
258T95.9Very high93.1Very high145 Ų14598.2 Ų98.289%0.8952%0.523SS*.  trans-78.8104.3168.6-53.80000108.6G256G256-T258 PolarHBondContact O-N 3.45Å
259I94.2Very high92.7Very high36 Ų3698.3 Ų98.319%0.18553%0.534CS..  trans-102.7124.4-176.9-56.5175.2000108.7I248 Y257 K263 R264I248-I259 HydrophobicContact CD1-CG2 4.04Å; I248-I259 HydrophobicContact CG1-CD1 4.38Å; I248-I259 HydrophobicContact CG2-CD1 3.79Å; I248-I259 HydrophobicContact CG2-CG2 3.99Å; Y257-I259 PolarHBondContact O-N 3.25Å; I259-K263 HydrophobicContact CG2-CB 3.83Å; I259-R264 HydrophobicContact CG2-CB 4.43Å
260P95.8Very high92.3Very high80 Ų80104.9 Ų104.952%0.51955%0.553SS.*  trans-50.2146.7172.6-29.337.2000112.6D262 K263 R264P260-D262 VanDerWaalsContact C-N 3.31Å; P260-D262 WeakPolarHBondContact CB-OD1 3.09Å; P260-D262 PolarHBondContact O-N 3.13Å; P260-K263 HydrophobicContact CB-CG 4.43Å; P260-K263 PolarHBondContact O-N 3.38Å; P260-K263 VanDerWaalsContact O-N 3.14Å; P260-R264 PolarHBondContact O-N 3.07Å
261L93.1Very high91.9Very high140 Ų140105.2 Ų105.273%0.73357%0.573SS**Hα-helixtrans-62.2-37.5-173.2-64.2176.9000112.7K263 R264 V265L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.79Å; L261-R264 PolarHBondContact O-N 3.27Å; L261-V265 PolarHBondContact O-N 2.94Å; L261-V265 VanDerWaalsContact O-N 3.07Å
262D92.5Very high91.6Very high92 Ų92102.3 Ų102.349%0.49257%0.572SS.*Hα-helixtrans-59.8-43.2175.969.5-44.8000111.1P260 A266P260-D262 VanDerWaalsContact C-N 3.31Å; P260-D262 WeakPolarHBondContact CB-OD1 3.09Å; P260-D262 PolarHBondContact O-N 3.13Å; D262-A266 WeakPolarHBondContact O-CA 3.05Å; D262-A266 WeakPolarHBondContact O-CB 3.47Å; D262-A266 PolarHBondContact O-N 3.35Å
263K94.5Very high91.2Very high108 Ų108101.4 Ų101.447%0.4757%0.571SS.*Hα-helixtrans-74.7-28.7178.2-56.8-50.8-178.2-129.60113.2I248 I259 P260 L261I248-K263 HydrophobicContact CD1-CB 3.74Å; I248-K263 WeakPolarHBondContact CD1-O 3.21Å; I259-K263 HydrophobicContact CG2-CB 3.83Å; P260-K263 HydrophobicContact CB-CG 4.43Å; P260-K263 PolarHBondContact O-N 3.38Å; P260-K263 VanDerWaalsContact O-N 3.14Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.79Å
264R92.2Very high91Very high88 Ų88103.1 Ų103.133%0.33258%0.583SS.*Hα-helixtrans-66.8-41.4175-173.5174.6-68.5-110.41111.8N250 I259 P260 L261N250-R264 PolarHBondContact OD1-O 3.34Å; N250-R264 VanDerWaalsContact OD1-O 3.07Å; I259-R264 HydrophobicContact CG2-CB 4.43Å; P260-R264 PolarHBondContact O-N 3.07Å; L261-R264 PolarHBondContact O-N 3.27Å
265V90.6Very high90.6Very high85 Ų85103 Ų10352%0.51558%0.58SS.*Hα-helixtrans-93.6-9.2-179.1-170.60000112L261 A267 D268L261-V265 PolarHBondContact O-N 2.94Å; L261-V265 VanDerWaalsContact O-N 3.07Å; V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 PolarHBondContact O-N 2.71Å; V265-D268 HydrophobicContact CG1-CB 3.96Å; V265-D268 WeakPolarHBondContact O-CA 3.4Å; V265-D268 WeakPolarHBondContact O-CB 3.18Å; V265-D268 PolarHBondContact O-N 2.89Å
266A89.4Confident90.4Very high75 Ų75101.5 Ų101.562%0.6258%0.581SS**THydrogen-bonded Turntrans-57.3-37.9-175.700000114.9D262 D268D262-A266 WeakPolarHBondContact O-CA 3.05Å; D262-A266 WeakPolarHBondContact O-CB 3.47Å; D262-A266 PolarHBondContact O-N 3.35Å; A266-D268 PolarHBondContact O-N 3.34Å
267A87Confident90.3Very high85 Ų85105.4 Ų105.470%0.70259%0.587SS**THydrogen-bonded Turntrans-79.4-4.9178.900000112.7V265 G269V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 PolarHBondContact O-N 2.71Å; A267-G269 PolarHBondContact O-N 3.16Å
268D83.1Confident90.2Very high33 Ų33103.4 Ų103.418%0.17659%0.586CS.*  trans-85.7100.2-175.9-156.5-23000110.3V265 A266 R270V265-D268 HydrophobicContact CG1-CB 3.96Å; V265-D268 WeakPolarHBondContact O-CA 3.4Å; V265-D268 WeakPolarHBondContact O-CB 3.18Å; V265-D268 PolarHBondContact O-N 2.89Å; A266-D268 PolarHBondContact O-N 3.34Å; D268-R270 PolarHBondContact O-N 3.15Å; D268-R270 WeakPolarHBondContact OD1-CG 3.41Å; D268-R270 IonicContact OD1-CZ 3.7Å; D268-R270 IonicContact OD1-NE 3.69Å; D268-R270 PolarHBondContact OD1-NE 3.32Å; D268-R270 IonicContact OD2-CZ 3.75Å; D268-R270 IonicContact OD2-NE 2.73Å; D268-R270 PolarHBondContact OD2-NE 2.95Å; D268-R270 IonicContact OD2-NH2 2.83Å; D268-R270 PolarHBondContact OD2-NH2 3.3Å
269G84.9Confident90.2Very high44 Ų44103.6 Ų103.645%0.45458%0.576SS.*G310 helixtrans-63.7-0.2-179.300000115A267 G271 L272A267-G269 PolarHBondContact O-N 3.16Å; G269-G271 PolarHBondContact O-N 2.96Å; G269-G271 VanDerWaalsContact O-N 3.15Å; G269-L272 PolarHBondContact O-N 2.92Å
270R84.7Confident90.3Very high175 Ų175106 Ų10666%0.6659%0.59SS**G310 helixtrans-54.2-30.4175.4-77-174.4-82.4178.2-3.8113.1D268 L272 Q273D268-R270 PolarHBondContact O-N 3.15Å; D268-R270 WeakPolarHBondContact OD1-CG 3.41Å; D268-R270 IonicContact OD1-CZ 3.7Å; D268-R270 IonicContact OD1-NE 3.69Å; D268-R270 PolarHBondContact OD1-NE 3.32Å; D268-R270 IonicContact OD2-CZ 3.75Å; D268-R270 IonicContact OD2-NE 2.73Å; D268-R270 PolarHBondContact OD2-NE 2.95Å; D268-R270 IonicContact OD2-NH2 2.83Å; D268-R270 PolarHBondContact OD2-NH2 3.3Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 2.91Å; R270-Q273 PolarHBondContact O-N 2.91Å
271G84.2Confident90.4Very high75 Ų75108.8 Ų108.877%0.77359%0.594SS**G310 helixtrans-70-21.517500000114.7G269G269-G271 PolarHBondContact O-N 2.96Å; G269-G271 VanDerWaalsContact O-N 3.15Å
272L88.6Confident90.5Very high156 Ų156104.9 Ų104.982%0.81758%0.581SS**G310 helixtrans-86.5-10.3174.4-7386.1000112.2G269 R270G269-L272 PolarHBondContact O-N 2.92Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 2.91Å
273Q86.1Confident90.8Very high145 Ų145106.6 Ų106.668%0.67859%0.585SS**  trans-86.3111.9178-173.5177.55.700110R270R270-Q273 PolarHBondContact O-N 2.91Å
274T89.7Confident90.9Very high94 Ų94106.1 Ų106.158%0.57759%0.587SS**  trans-86.2127.5169.850.40000109.8H276T274-H276 PolarHBondContact O-CE1 2.87Å; T274-H276 PolarHBondContact O-N 3.22Å; T274-H276 PolarHBondContact O-ND1 2.6Å; T274-H276 VanDerWaalsContact O-ND1 3.07Å; T274-H276 PolarHBondContact OG1-CE1 3.07Å; T274-H276 PolarHBondContact OG1-NE2 3.41Å; T274-H276 VanDerWaalsContact OG1-NE2 3.11Å
275V89.1Confident91.2Very high128 Ų128104.7 Ų104.778%0.77659%0.594SS**  trans-81.5113175-178.60000108.1
276H90.7Very high91.4Very high160 Ų160107 Ų10774%0.74160%0.599SS**  trans-100.4131.1176-51.892.8000109.2T274T274-H276 PolarHBondContact O-CE1 2.87Å; T274-H276 PolarHBondContact O-N 3.22Å; T274-H276 PolarHBondContact O-ND1 2.6Å; T274-H276 VanDerWaalsContact O-ND1 3.07Å; T274-H276 PolarHBondContact OG1-CE1 3.07Å; T274-H276 PolarHBondContact OG1-NE2 3.41Å; T274-H276 VanDerWaalsContact OG1-NE2 3.11Å
277I93.3Very high91.8Very high138 Ų138106 Ų10671%0.70859%0.59SS**  trans-105.6135.4177.4-62.1173.3000108.7F281I277-F281 HydrophobicContact CG2-CD2 3.71Å; I277-F281 HydrophobicContact CG2-CE2 4.39Å; I277-F281 HydrophobicContact CG2-CG 4.48Å
278N94.8Very high92.3Very high90 Ų90107.2 Ų107.248%0.48158%0.584SS.*  trans-73.2135.5-179.7-170.9-19.2000111.4N280 F281N278-N280 PolarHBondContact ND2-ND2 3.47Å; N278-N280 PolarHBondContact O-N 2.97Å; N278-N280 VanDerWaalsContact O-N 3.12Å; N278-N280 PolarHBondContact OD1-N 3.49Å; N278-N280 VanDerWaalsContact OD1-N 3.07Å; N278-N280 PolarHBondContact OD1-ND2 3.02Å; N278-F281 HydrophobicContact CB-CD2 4.08Å; N278-F281 HydrophobicContact CB-CE2 4.18Å; N278-F281 VanDerWaalsContact O-CD2 3.32Å; N278-F281 WeakPolarHBondContact O-CD2 3.2Å; N278-F281 PolarHBondContact O-N 3.18Å; N278-F281 VanDerWaalsContact O-N 3.12Å
279E95.7Very high93Very high149 Ų149113.6 Ų113.670%0.69661%0.607SS**THydrogen-bonded Turntrans-59-22.5176.1-62.5-178.7179.400113.6F281 A282 K283E279-F281 PolarHBondContact O-N 2.89Å; E279-A282 WeakPolarHBondContact O-CB 2.96Å; E279-A282 PolarHBondContact O-N 3.07Å; E279-K283 PolarHBondContact O-N 3.25Å
280N96.8Very high93.5Very high87 Ų87114.5 Ų114.547%0.46560%0.604SS.*Hα-helixtrans-61-24.7176.3-67.9-21.9000113.1N278 A282 K283 L284N278-N280 PolarHBondContact ND2-ND2 3.47Å; N278-N280 PolarHBondContact O-N 2.97Å; N278-N280 VanDerWaalsContact O-N 3.12Å; N278-N280 PolarHBondContact OD1-N 3.49Å; N278-N280 VanDerWaalsContact OD1-N 3.07Å; N278-N280 PolarHBondContact OD1-ND2 3.02Å; N280-A282 VanDerWaalsContact C-N 3.3Å; N280-A282 PolarHBondContact O-N 2.97Å; N280-K283 PolarHBondContact O-N 3.04Å; N280-L284 WeakPolarHBondContact O-CB 3.12Å; N280-L284 PolarHBondContact O-N 3.33Å
281F97.2Very high94.2Very high138 Ų138108.8 Ų108.861%0.60559%0.594SS**Hα-helixtrans-64.8-35.7173.2-72.7-68.5000111.9I277 N278 E279 A285I277-F281 HydrophobicContact CG2-CD2 3.71Å; I277-F281 HydrophobicContact CG2-CE2 4.39Å; I277-F281 HydrophobicContact CG2-CG 4.48Å; N278-F281 HydrophobicContact CB-CD2 4.08Å; N278-F281 HydrophobicContact CB-CE2 4.18Å; N278-F281 VanDerWaalsContact O-CD2 3.32Å; N278-F281 WeakPolarHBondContact O-CD2 3.2Å; N278-F281 PolarHBondContact O-N 3.18Å; N278-F281 VanDerWaalsContact O-N 3.12Å; E279-F281 PolarHBondContact O-N 2.89Å; F281-A285 WeakPolarHBondContact O-CB 3.17Å; F281-A285 PolarHBondContact O-N 2.91Å
282A96.4Very high94.8Very high57 Ų57108.8 Ų108.847%0.47158%0.576SS.*Hα-helixtrans-67.4-47.1174.300000110.9E279 N280 L284 A285 E286E279-A282 WeakPolarHBondContact O-CB 2.96Å; E279-A282 PolarHBondContact O-N 3.07Å; N280-A282 VanDerWaalsContact C-N 3.3Å; N280-A282 PolarHBondContact O-N 2.97Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 2.86Å; A282-A285 PolarHBondContact O-N 2.96Å; A282-E286 WeakPolarHBondContact O-CG 3.46Å; A282-E286 PolarHBondContact O-N 3.11Å
283K97.2Very high95.2Very high129 Ų129107.6 Ų107.656%0.56156%0.561SS**Hα-helixtrans-57.8-41.1176.1-63.8177.9-175.2165.80112.1E279 N280 A287E279-K283 PolarHBondContact O-N 3.25Å; N280-K283 PolarHBondContact O-N 3.04Å; K283-A287 VanDerWaalsContact O-CB 3.3Å; K283-A287 WeakPolarHBondContact O-CB 3.22Å; K283-A287 PolarHBondContact O-N 3.07Å
284L97.2Very high95.7Very high98 Ų98107.4 Ų107.451%0.51356%0.558SS.*Hα-helixtrans-65.9-45.4177179.764.2000111.7N280 A282 E286 A287 L288N280-L284 WeakPolarHBondContact O-CB 3.12Å; N280-L284 PolarHBondContact O-N 3.33Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 2.86Å; L284-E286 PolarHBondContact O-N 3.48Å; L284-A287 PolarHBondContact O-N 3.42Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.36Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.25Å
285A97.6Very high96.1Very high58 Ų58105.3 Ų105.348%0.47955%0.55SS..Hα-helixtrans-62.1-43.217900000111.8F281 A282 L288 Y289F281-A285 WeakPolarHBondContact O-CB 3.17Å; F281-A285 PolarHBondContact O-N 2.91Å; A282-A285 PolarHBondContact O-N 2.96Å; A285-L288 PolarHBondContact O-N 3.44Å; A285-Y289 WeakPolarHBondContact O-CB 3.36Å; A285-Y289 PolarHBondContact O-N 3.14Å
286E96.5Very high96.4Very high134 Ų134107.1 Ų107.163%0.62654%0.543SS*.Hα-helixtrans-64.9-42.4175.9-71.3-179174.800112.2A282 L284 L288 Y289 T290A282-E286 WeakPolarHBondContact O-CG 3.46Å; A282-E286 PolarHBondContact O-N 3.11Å; L284-E286 PolarHBondContact O-N 3.48Å; E286-L288 PolarHBondContact O-N 3.44Å; E286-Y289 PolarHBondContact O-N 3.42Å; E286-T290 WeakPolarHBondContact O-CG2 3.32Å; E286-T290 PolarHBondContact O-N 3.38Å; E286-T290 PolarHBondContact O-OG1 2.82Å
287A97.4Very high96.7Very high53 Ų53104.1 Ų104.144%0.43853%0.529SS..Hα-helixtrans-61.4-42.6176.400000111.9K283 L284 T290 A291K283-A287 VanDerWaalsContact O-CB 3.3Å; K283-A287 WeakPolarHBondContact O-CB 3.22Å; K283-A287 PolarHBondContact O-N 3.07Å; L284-A287 PolarHBondContact O-N 3.42Å; A287-T290 PolarHBondContact O-OG1 3.11Å; A287-A291 WeakPolarHBondContact O-CB 3.36Å; A287-A291 PolarHBondContact O-N 2.86Å
288L97.7Very high96.8Very high110 Ų11099.1 Ų99.158%0.57651%0.509SS*.Hα-helixtrans-67.8-40.4176.6-71.2175.6000112.3L284 A285 E286 A291 D292L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.36Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.25Å; A285-L288 PolarHBondContact O-N 3.44Å; E286-L288 PolarHBondContact O-N 3.44Å; L288-A291 PolarHBondContact O-N 3.36Å; L288-D292 PolarHBondContact O-N 2.78Å
289Y96.7Very high96.9Very high167 Ų16799 Ų9966%0.65551%0.511SS*.Hα-helixtrans-64.2-42.6177.8-171.1-99.7000112.1A285 E286 A291 D292 R293A285-Y289 WeakPolarHBondContact O-CB 3.36Å; A285-Y289 PolarHBondContact O-N 3.14Å; E286-Y289 PolarHBondContact O-N 3.42Å; Y289-A291 VanDerWaalsContact C-N 3.34Å; Y289-D292 PolarHBondContact O-N 3.38Å; Y289-R293 PolarHBondContact O-N 3.24Å; Y289-R293 VanDerWaalsContact O-N 3.1Å
290T97.1Very high97Very high63 Ų6397.4 Ų97.439%0.38750%0.504SS..Hα-helixtrans-66.8-35.6175.254.30000112.3E286 A287 K294E286-T290 WeakPolarHBondContact O-CG2 3.32Å; E286-T290 PolarHBondContact O-N 3.38Å; E286-T290 PolarHBondContact O-OG1 2.82Å; A287-T290 PolarHBondContact O-OG1 3.11Å; T290-K294 WeakPolarHBondContact O-CG 3.33Å; T290-K294 PolarHBondContact O-N 3.34Å; T290-K294 VanDerWaalsContact O-N 3.17Å
291A97.7Very high96.9Very high55 Ų5599 Ų9946%0.45551%0.51SS..Hα-helixtrans-65.1-44.4173.600000112.3A287 L288 Y289 K294 A295A287-A291 WeakPolarHBondContact O-CB 3.36Å; A287-A291 PolarHBondContact O-N 2.86Å; L288-A291 PolarHBondContact O-N 3.36Å; Y289-A291 VanDerWaalsContact C-N 3.34Å; A291-K294 PolarHBondContact O-N 3.11Å; A291-A295 WeakPolarHBondContact O-CB 3.3Å; A291-A295 PolarHBondContact O-N 2.77Å
292D96.9Very high96.8Very high75 Ų7599.5 Ų99.540%0.40151%0.508SS..Hα-helixtrans-61.1-45.5177.2-174.562.4000111.6L288 Y289 K294 A295 R296L288-D292 PolarHBondContact O-N 2.78Å; Y289-D292 PolarHBondContact O-N 3.38Å; D292-K294 PolarHBondContact O-N 3.07Å; D292-A295 PolarHBondContact O-N 3.12Å; D292-R296 WeakPolarHBondContact O-CG 3.25Å; D292-R296 PolarHBondContact O-N 2.9Å; D292-R296 IonicContact OD1-NE 3.96Å; D292-R296 IonicContact OD2-CZ 3.95Å; D292-R296 IonicContact OD2-NE 2.91Å; D292-R296 PolarHBondContact OD2-NE 3.38Å; D292-R296 IonicContact OD2-NH2 3.88Å
293R97Very high96.8Very high132 Ų13298.4 Ų98.450%0.49850%0.499SS..Hα-helixtrans-57.7-49.1177.2-170.4179.471.6-163.7-1.1111.7Y289 A295 R296 E297Y289-R293 PolarHBondContact O-N 3.24Å; Y289-R293 VanDerWaalsContact O-N 3.1Å; R293-A295 VanDerWaalsContact C-N 3.33Å; R293-A295 PolarHBondContact O-N 3.32Å; R293-R296 PolarHBondContact O-N 3.12Å; R293-E297 IonicContact NE-OE1 2.6Å; R293-E297 WeakPolarHBondContact O-CG 3.38Å; R293-E297 PolarHBondContact O-N 3.49Å
294K97.9Very high96.7Very high141 Ų14196.5 Ų96.561%0.61349%0.492SS*.Hα-helixtrans-64.3-36.8177.9-74.1-169.9177.7-174.80112.5T290 A291 D292 A298T290-K294 WeakPolarHBondContact O-CG 3.33Å; T290-K294 PolarHBondContact O-N 3.34Å; T290-K294 VanDerWaalsContact O-N 3.17Å; A291-K294 PolarHBondContact O-N 3.11Å; D292-K294 PolarHBondContact O-N 3.07Å; K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 3.23Å
295A97.1Very high96.6Very high49 Ų4996.9 Ų96.941%0.40549%0.493SS..Hα-helixtrans-64.6-43.1177.200000111.5A291 D292 R293 A298 V299A291-A295 WeakPolarHBondContact O-CB 3.3Å; A291-A295 PolarHBondContact O-N 2.77Å; D292-A295 PolarHBondContact O-N 3.12Å; R293-A295 VanDerWaalsContact C-N 3.33Å; R293-A295 PolarHBondContact O-N 3.32Å; A295-A298 PolarHBondContact O-N 2.88Å; A295-V299 VanDerWaalsContact O-CG2 3.29Å; A295-V299 WeakPolarHBondContact O-CG2 3.37Å; A295-V299 PolarHBondContact O-N 3.08Å
296R96.8Very high96.4Very high166 Ų166100.7 Ų100.763%0.62650%0.501SS*.Hα-helixtrans-62.6-48.4175.7-70.9174.5-177.6-97.3-3.1112.2D292 R293 A298 V299 E300D292-R296 WeakPolarHBondContact O-CG 3.25Å; D292-R296 PolarHBondContact O-N 2.9Å; D292-R296 IonicContact OD1-NE 3.96Å; D292-R296 IonicContact OD2-CZ 3.95Å; D292-R296 IonicContact OD2-NE 2.91Å; D292-R296 PolarHBondContact OD2-NE 3.38Å; D292-R296 IonicContact OD2-NH2 3.88Å; R293-R296 PolarHBondContact O-N 3.12Å; R296-A298 VanDerWaalsContact C-N 3.28Å; R296-A298 PolarHBondContact O-N 3.49Å; R296-V299 PolarHBondContact O-N 3.48Å; R296-V299 VanDerWaalsContact O-N 3.17Å; R296-E300 WeakPolarHBondContact O-CB 3.4Å; R296-E300 PolarHBondContact O-N 3.43Å
297E96.3Very high96.3Very high97 Ų97102.6 Ų102.645%0.45350%0.503SS..Hα-helixtrans-55.5-44.9175.2-72.3169.1-171.800111R293 E300 M301R293-E297 IonicContact NE-OE1 2.6Å; R293-E297 WeakPolarHBondContact O-CG 3.38Å; R293-E297 PolarHBondContact O-N 3.49Å; E297-E300 PolarHBondContact O-N 2.83Å; E297-M301 WeakPolarHBondContact O-CB 3.37Å; E297-M301 WeakPolarHBondContact O-CG 3.45Å; E297-M301 PolarHBondContact O-N 3.46Å
298A96Very high96.2Very high34 Ų34106.6 Ų106.628%0.28151%0.51SS..Hα-helixtrans-67.4-35.9178.400000113.5K294 A295 R296 R302K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 3.23Å; A295-A298 PolarHBondContact O-N 2.88Å; R296-A298 VanDerWaalsContact C-N 3.28Å; R296-A298 PolarHBondContact O-N 3.49Å; A298-R302 WeakPolarHBondContact O-CB 3.4Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-N 3.01Å; A298-R302 VanDerWaalsContact O-N 3.15Å; A298-R302 PolarHBondContact O-NE 3.41Å
299V96.8Very high96Very high87 Ų87105.5 Ų105.553%0.52751%0.507SS..Hα-helixtrans-70.3-43.3175.2171.20000110.7A295 R296 R302 A303A295-V299 VanDerWaalsContact O-CG2 3.29Å; A295-V299 WeakPolarHBondContact O-CG2 3.37Å; A295-V299 PolarHBondContact O-N 3.08Å; R296-V299 PolarHBondContact O-N 3.48Å; R296-V299 VanDerWaalsContact O-N 3.17Å; V299-R302 PolarHBondContact O-N 3.31Å; V299-A303 WeakPolarHBondContact O-CB 3.37Å; V299-A303 PolarHBondContact O-N 3.47Å
300E95.9Very high95.9Very high116 Ų11699.7 Ų99.754%0.54249%0.494SS..Hα-helixtrans-64-45.8177.9-172.1177.2178.300111.6R296 E297 R302 A303 Q304R296-E300 WeakPolarHBondContact O-CB 3.4Å; R296-E300 PolarHBondContact O-N 3.43Å; E297-E300 PolarHBondContact O-N 2.83Å; E300-R302 VanDerWaalsContact C-N 3.32Å; E300-R302 PolarHBondContact O-N 3.01Å; E300-A303 PolarHBondContact O-N 2.95Å; E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.92Å; E300-Q304 PolarHBondContact OE1-NE2 3.33Å
301M95.3Very high95.7Very high121 Ų121103 Ų10360%0.59651%0.505SS*.Hα-helixtrans-59.1-43175-75.3-155.5-65.300111.9E297 Q304 I305E297-M301 WeakPolarHBondContact O-CB 3.37Å; E297-M301 WeakPolarHBondContact O-CG 3.45Å; E297-M301 PolarHBondContact O-N 3.46Å; M301-Q304 PolarHBondContact O-N 2.97Å; M301-I305 VanDerWaalsContact O-CG1 3.27Å; M301-I305 WeakPolarHBondContact O-CG1 3.42Å; M301-I305 PolarHBondContact O-N 2.96Å
302R94.8Very high95.5Very high148 Ų148107.7 Ų107.756%0.55852%0.515SS*.Hα-helixtrans-61.6-47.4175.5-82.2-179.4-74.2-151.12.5111.9A298 V299 E300 Q304 I305 E306A298-R302 WeakPolarHBondContact O-CB 3.4Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-N 3.01Å; A298-R302 VanDerWaalsContact O-N 3.15Å; A298-R302 PolarHBondContact O-NE 3.41Å; V299-R302 PolarHBondContact O-N 3.31Å; E300-R302 VanDerWaalsContact C-N 3.32Å; E300-R302 PolarHBondContact O-N 3.01Å; R302-Q304 VanDerWaalsContact C-N 3.32Å; R302-Q304 PolarHBondContact O-N 3.19Å; R302-I305 PolarHBondContact O-N 2.99Å; R302-E306 WeakPolarHBondContact O-CG 3.45Å; R302-E306 PolarHBondContact O-N 3.28Å
303A96.4Very high95.2Very high34 Ų34108.9 Ų108.928%0.28152%0.518SS..Hα-helixtrans-62-38178.100000112.5V299 E300 R307V299-A303 WeakPolarHBondContact O-CB 3.37Å; V299-A303 PolarHBondContact O-N 3.47Å; E300-A303 PolarHBondContact O-N 2.95Å; A303-R307 WeakPolarHBondContact O-CB 3.44Å; A303-R307 VanDerWaalsContact O-CG 3.28Å; A303-R307 WeakPolarHBondContact O-CG 3.35Å; A303-R307 PolarHBondContact O-N 2.99Å
304Q95.8Very high95Very high88 Ų88109.2 Ų109.241%0.41152%0.524SS..Hα-helixtrans-67.3-40.5175-71.4-177.612.900112.2E300 M301 R302 R307 K308E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.92Å; E300-Q304 PolarHBondContact OE1-NE2 3.33Å; M301-Q304 PolarHBondContact O-N 2.97Å; R302-Q304 VanDerWaalsContact C-N 3.32Å; R302-Q304 PolarHBondContact O-N 3.19Å; Q304-R307 PolarHBondContact O-N 2.95Å; Q304-K308 WeakPolarHBondContact O-CG 3.29Å; Q304-K308 PolarHBondContact O-N 3.35Å
305I95.1Very high94.6Very high106 Ų106107.7 Ų107.754%0.54452%0.519SS..Hα-helixtrans-64.8-48.2176-69.2166.1000110.4M301 R302 R307 K308 V309M301-I305 VanDerWaalsContact O-CG1 3.27Å; M301-I305 WeakPolarHBondContact O-CG1 3.42Å; M301-I305 PolarHBondContact O-N 2.96Å; R302-I305 PolarHBondContact O-N 2.99Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.01Å; I305-K308 PolarHBondContact O-N 3.49Å; I305-K308 VanDerWaalsContact O-N 3.11Å; I305-V309 HydrophobicContact CG2-CG2 4.34Å; I305-V309 WeakPolarHBondContact O-CG2 3.26Å; I305-V309 PolarHBondContact O-N 3.07Å
306E93.5Very high94.3Very high138 Ų138114.2 Ų114.265%0.64553%0.533SS*.Hα-helixtrans-58.7-42.6177.4-74.8179179.300111.7R302 K308 V309 A310R302-E306 WeakPolarHBondContact O-CG 3.45Å; R302-E306 PolarHBondContact O-N 3.28Å; E306-K308 PolarHBondContact O-N 2.96Å; E306-V309 PolarHBondContact O-N 3.42Å; E306-A310 VanDerWaalsContact O-CB 3.31Å; E306-A310 WeakPolarHBondContact O-CB 3.45Å; E306-A310 PolarHBondContact O-N 3.37Å
307R94.3Very high94Very high175 Ų175111.6 Ų111.666%0.6653%0.526SS*.Hα-helixtrans-60.8-43.3173.3-76.5177-171.2165.64.1112.5A303 Q304 I305 A310 Q311A303-R307 WeakPolarHBondContact O-CB 3.44Å; A303-R307 VanDerWaalsContact O-CG 3.28Å; A303-R307 WeakPolarHBondContact O-CG 3.35Å; A303-R307 PolarHBondContact O-N 2.99Å; Q304-R307 PolarHBondContact O-N 2.95Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.01Å; R307-A310 PolarHBondContact O-N 2.97Å; R307-Q311 WeakPolarHBondContact O-CB 3.45Å; R307-Q311 WeakPolarHBondContact O-CG 3.29Å; R307-Q311 PolarHBondContact O-N 3.49Å
308K94.9Very high93.7Very high136 Ų136113.1 Ų113.159%0.59153%0.533SS*.Hα-helixtrans-65.3-40.9177.4-79-178.6179176.30112.2Q304 I305 E306 Q311 K312Q304-K308 WeakPolarHBondContact O-CG 3.29Å; Q304-K308 PolarHBondContact O-N 3.35Å; I305-K308 PolarHBondContact O-N 3.49Å; I305-K308 VanDerWaalsContact O-N 3.11Å; E306-K308 PolarHBondContact O-N 2.96Å; K308-Q311 PolarHBondContact O-N 3.18Å; K308-K312 PolarHBondContact O-N 2.99Å
309V94.1Very high93.3Very high87 Ų87115.9 Ų115.953%0.52754%0.54SS..Hα-helixtrans-64.4-45.5175.7174.10000110.1I305 E306 Q311 K312 E313I305-V309 HydrophobicContact CG2-CG2 4.34Å; I305-V309 WeakPolarHBondContact O-CG2 3.26Å; I305-V309 PolarHBondContact O-N 3.07Å; E306-V309 PolarHBondContact O-N 3.42Å; V309-Q311 VanDerWaalsContact C-N 3.35Å; V309-Q311 PolarHBondContact O-N 2.9Å; V309-K312 PolarHBondContact O-N 2.9Å; V309-E313 WeakPolarHBondContact O-CB 3.46Å; V309-E313 PolarHBondContact O-N 3.37Å
310A94Very high92.9Very high45 Ų45117.3 Ų117.337%0.37254%0.541SS..Hα-helixtrans-62.8-37.9176.700000112.7E306 R307 E313 K314E306-A310 VanDerWaalsContact O-CB 3.31Å; E306-A310 WeakPolarHBondContact O-CB 3.45Å; E306-A310 PolarHBondContact O-N 3.37Å; R307-A310 PolarHBondContact O-N 2.97Å; A310-E313 PolarHBondContact O-N 3.33Å; A310-K314 WeakPolarHBondContact O-CG 3Å; A310-K314 PolarHBondContact O-N 3.13Å
311Q92.5Very high92.5Very high133 Ų133117.3 Ų117.362%0.62154%0.544SS*.Hα-helixtrans-65-47.3173.7-80176.3-15.400112R307 K308 V309 E313 K314 E315R307-Q311 WeakPolarHBondContact O-CB 3.45Å; R307-Q311 WeakPolarHBondContact O-CG 3.29Å; R307-Q311 PolarHBondContact O-N 3.49Å; K308-Q311 PolarHBondContact O-N 3.18Å; V309-Q311 VanDerWaalsContact C-N 3.35Å; V309-Q311 PolarHBondContact O-N 2.9Å; Q311-E313 VanDerWaalsContact C-N 3.29Å; Q311-E313 PolarHBondContact O-N 3.49Å; Q311-K314 WeakPolarHBondContact O-CB 3.27Å; Q311-K314 PolarHBondContact O-N 3.37Å; Q311-K314 VanDerWaalsContact O-N 3.17Å; Q311-E315 WeakPolarHBondContact O-CB 3.42Å; Q311-E315 PolarHBondContact O-N 3.28Å
312K93.7Very high92Very high153 Ų153117.2 Ų117.267%0.66554%0.542SS*.Hα-helixtrans-62-36.3175.5-77.4-172.2174.9-172.80112.5K308 V309 R316K308-K312 PolarHBondContact O-N 2.99Å; V309-K312 PolarHBondContact O-N 2.9Å; K312-R316 WeakPolarHBondContact O-CB 3.45Å; K312-R316 PolarHBondContact O-N 3.47Å
313E91.3Very high91.5Very high100 Ų100118.3 Ų118.347%0.46755%0.547SS..Hα-helixtrans-67.9-38.8175.5-160.7-166.9147.600111.6V309 A310 Q311 K317V309-E313 WeakPolarHBondContact O-CB 3.46Å; V309-E313 PolarHBondContact O-N 3.37Å; A310-E313 PolarHBondContact O-N 3.33Å; Q311-E313 VanDerWaalsContact C-N 3.29Å; Q311-E313 PolarHBondContact O-N 3.49Å; E313-K317 VanDerWaalsContact O-CG 3.31Å; E313-K317 WeakPolarHBondContact O-CG 3.31Å; E313-K317 PolarHBondContact O-N 3.23Å; E313-K317 VanDerWaalsContact OE1-CE 3.29Å; E313-K317 WeakPolarHBondContact OE1-CE 3.46Å; E313-K317 IonicContact OE1-NZ 3.1Å; E313-K317 PolarHBondContact OE1-NZ 3.5Å
314K92.7Very high91Very high140 Ų140121.2 Ų121.261%0.60956%0.556SS**Hα-helixtrans-63.8-47.7172.1-77-176177.6-1700111.9A310 Q311 R316 K317 E318A310-K314 WeakPolarHBondContact O-CG 3Å; A310-K314 PolarHBondContact O-N 3.13Å; Q311-K314 WeakPolarHBondContact O-CB 3.27Å; Q311-K314 PolarHBondContact O-N 3.37Å; Q311-K314 VanDerWaalsContact O-N 3.17Å; K314-R316 PolarHBondContact O-N 3.22Å; K314-K317 CarbonylContact O-C 3.57Å; K314-K317 WeakPolarHBondContact O-CB 3.39Å; K314-K317 PolarHBondContact O-N 3.46Å; K314-K317 VanDerWaalsContact O-N 3.11Å; K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.1Å
315E89.7Confident90.4Very high109 Ų109119.1 Ų119.151%0.50955%0.554SS.*Hα-helixtrans-59.4-45.2177.2-174.8178.8-163.300111.2Q311 K317 E318 E319Q311-E315 WeakPolarHBondContact O-CB 3.42Å; Q311-E315 PolarHBondContact O-N 3.28Å; E315-K317 VanDerWaalsContact C-N 3.3Å; E315-K317 PolarHBondContact O-N 2.88Å; E315-E318 CarbonylContact O-C 3.59Å; E315-E318 WeakPolarHBondContact O-CB 3.32Å; E315-E318 PolarHBondContact O-N 3.31Å; E315-E318 VanDerWaalsContact O-N 3.12Å; E315-E319 PolarHBondContact O-N 3.33Å
316R90.5Very high89.8Confident185 Ų185118.9 Ų118.970%0.69855%0.55SS**Hα-helixtrans-61.1-38.1174.9-171.5-179.1179.4-178.81112.3K312 K314 Q320K312-R316 WeakPolarHBondContact O-CB 3.45Å; K312-R316 PolarHBondContact O-N 3.47Å; K314-R316 PolarHBondContact O-N 3.22Å; R316-Q320 VanDerWaalsContact O-CB 3.26Å; R316-Q320 WeakPolarHBondContact O-CB 3.43Å; R316-Q320 PolarHBondContact O-N 3.46Å
317K90.5Very high89.1Confident111 Ų111118.5 Ų118.548%0.48355%0.549SS..Hα-helixtrans-66.9-40.5174.2-75.5172.8-174.1166.50111E313 K314 E315 Q320 L321E313-K317 VanDerWaalsContact O-CG 3.31Å; E313-K317 WeakPolarHBondContact O-CG 3.31Å; E313-K317 PolarHBondContact O-N 3.23Å; E313-K317 VanDerWaalsContact OE1-CE 3.29Å; E313-K317 WeakPolarHBondContact OE1-CE 3.46Å; E313-K317 IonicContact OE1-NZ 3.1Å; E313-K317 PolarHBondContact OE1-NZ 3.5Å; K314-K317 CarbonylContact O-C 3.57Å; K314-K317 WeakPolarHBondContact O-CB 3.39Å; K314-K317 PolarHBondContact O-N 3.46Å; K314-K317 VanDerWaalsContact O-N 3.11Å; E315-K317 VanDerWaalsContact C-N 3.3Å; E315-K317 PolarHBondContact O-N 2.88Å; K317-Q320 PolarHBondContact O-N 2.98Å; K317-L321 WeakPolarHBondContact O-CB 3.31Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 3.4Å
318E89.4Confident88.3Confident129 Ų129112.9 Ų112.960%0.60354%0.54SS*.Hα-helixtrans-65.4-45.3175.9-75174.9-165.200112.1K314 E315 Q320 L321 Q322K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.1Å; E315-E318 CarbonylContact O-C 3.59Å; E315-E318 WeakPolarHBondContact O-CB 3.32Å; E315-E318 PolarHBondContact O-N 3.31Å; E315-E318 VanDerWaalsContact O-N 3.12Å; E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 3.17Å; E318-L321 CarbonylContact O-C 3.49Å; E318-L321 WeakPolarHBondContact O-CB 3.42Å; E318-L321 PolarHBondContact O-N 3.31Å; E318-Q322 VanDerWaalsContact O-CB 3.32Å; E318-Q322 WeakPolarHBondContact O-CB 3.28Å; E318-Q322 PolarHBondContact O-N 2.92Å
319E88.3Confident87.2Confident93 Ų93115.4 Ų115.444%0.43555%0.545SS..Hα-helixtrans-61.9-41.4173.7-74.6-172.6164.900111.9E315 L321 Q322 R323E315-E319 PolarHBondContact O-N 3.33Å; E319-L321 VanDerWaalsContact C-N 3.34Å; E319-Q322 PolarHBondContact O-N 2.99Å; E319-R323 PolarHBondContact O-N 3.17Å
320Q88.7Confident85.9Confident117 Ų117117.5 Ų117.555%0.54755%0.549SS..Hα-helixtrans-62.7-43.6176.3-174174.2-2.200110.7R316 K317 E318 Q322 R323 I324R316-Q320 VanDerWaalsContact O-CB 3.26Å; R316-Q320 WeakPolarHBondContact O-CB 3.43Å; R316-Q320 PolarHBondContact O-N 3.46Å; K317-Q320 PolarHBondContact O-N 2.98Å; E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 3.17Å; Q320-Q322 VanDerWaalsContact C-N 3.33Å; Q320-R323 PolarHBondContact O-N 3.34Å; Q320-I324 HydrophobicContact CG-CD1 4.23Å; Q320-I324 WeakPolarHBondContact O-CD1 3.26Å; Q320-I324 VanDerWaalsContact O-CG1 3.22Å; Q320-I324 WeakPolarHBondContact O-CG1 3.35Å; Q320-I324 PolarHBondContact O-N 3.15Å
321L86.4Confident84.4Confident115 Ų115118.8 Ų118.860%0.60256%0.556SS**Hα-helixtrans-63.7-37.8173-72.3167.9000111.7K317 E318 E319 I324 A325K317-L321 WeakPolarHBondContact O-CB 3.31Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 3.4Å; E318-L321 CarbonylContact O-C 3.49Å; E318-L321 WeakPolarHBondContact O-CB 3.42Å; E318-L321 PolarHBondContact O-N 3.31Å; E319-L321 VanDerWaalsContact C-N 3.34Å; L321-I324 PolarHBondContact O-N 3.33Å; L321-A325 VanDerWaalsContact O-CB 3.32Å; L321-A325 WeakPolarHBondContact O-CB 3.46Å; L321-A325 PolarHBondContact O-N 3.45Å
322Q85.9Confident82.7Confident120 Ų120122.8 Ų122.856%0.56157%0.565SS**Hα-helixtrans-68.2-41.1178.3-165.5179.52900111.9E318 E319 Q320 A325 Q326E318-Q322 VanDerWaalsContact O-CB 3.32Å; E318-Q322 WeakPolarHBondContact O-CB 3.28Å; E318-Q322 PolarHBondContact O-N 2.92Å; E319-Q322 PolarHBondContact O-N 2.99Å; Q320-Q322 VanDerWaalsContact C-N 3.33Å; Q322-A325 CarbonylContact O-C 3.42Å; Q322-A325 PolarHBondContact O-N 3.19Å; Q322-Q326 WeakPolarHBondContact O-CB 3.41Å; Q322-Q326 PolarHBondContact O-N 3.42Å
323R84.6Confident80.9Confident171 Ų171119.2 Ų119.265%0.64556%0.564SS**Hα-helixtrans-63.3-43.9172.4-78.9-173.7-174.4155.86.7111.7E319 Q320 A325 Q326 Q327E319-R323 PolarHBondContact O-N 3.17Å; Q320-R323 PolarHBondContact O-N 3.34Å; R323-A325 VanDerWaalsContact C-N 3.27Å; R323-A325 PolarHBondContact O-N 3Å; R323-Q326 PolarHBondContact O-N 3.36Å; R323-Q327 WeakPolarHBondContact O-CB 3.37Å; R323-Q327 WeakPolarHBondContact O-CG 3.5Å; R323-Q327 PolarHBondContact O-N 3.06Å
324I85.1Confident79.1Confident95 Ų95117.1 Ų117.149%0.48757%0.57SS.*Hα-helixtrans-60.6-41.1174.7-67.9164.9000109.9Q320 L321 A328Q320-I324 HydrophobicContact CG-CD1 4.23Å; Q320-I324 WeakPolarHBondContact O-CD1 3.26Å; Q320-I324 VanDerWaalsContact O-CG1 3.22Å; Q320-I324 WeakPolarHBondContact O-CG1 3.35Å; Q320-I324 PolarHBondContact O-N 3.15Å; L321-I324 PolarHBondContact O-N 3.33Å; I324-A328 VanDerWaalsContact O-CB 3.25Å; I324-A328 WeakPolarHBondContact O-CB 3.44Å; I324-A328 PolarHBondContact O-N 2.95Å
325A83.3Confident76.8Confident44 Ų44115.3 Ų115.336%0.36457%0.566SS.*Hα-helixtrans-69-38.217700000113.2L321 Q322 R323 A328 R329L321-A325 VanDerWaalsContact O-CB 3.32Å; L321-A325 WeakPolarHBondContact O-CB 3.46Å; L321-A325 PolarHBondContact O-N 3.45Å; Q322-A325 CarbonylContact O-C 3.42Å; Q322-A325 PolarHBondContact O-N 3.19Å; R323-A325 VanDerWaalsContact C-N 3.27Å; R323-A325 PolarHBondContact O-N 3Å; A325-A328 PolarHBondContact O-N 2.88Å; A325-R329 WeakPolarHBondContact O-CB 3.21Å; A325-R329 VanDerWaalsContact O-CG 3.31Å; A325-R329 WeakPolarHBondContact O-CG 3.49Å; A325-R329 PolarHBondContact O-N 3.38Å
326Q83Confident74.4Confident100 Ų100121.3 Ų121.347%0.46758%0.584SS.*Hα-helixtrans-67.2-46.3174.1-83.2178.3-8.800111Q322 R323 A328 R329 E330Q322-Q326 WeakPolarHBondContact O-CB 3.41Å; Q322-Q326 PolarHBondContact O-N 3.42Å; R323-Q326 PolarHBondContact O-N 3.36Å; Q326-A328 VanDerWaalsContact C-N 3.27Å; Q326-A328 PolarHBondContact O-N 3.2Å; Q326-R329 CarbonylContact O-C 3.57Å; Q326-R329 WeakPolarHBondContact O-CA 3.3Å; Q326-R329 WeakPolarHBondContact O-CB 3.22Å; Q326-R329 PolarHBondContact O-N 2.9Å; Q326-E330 WeakPolarHBondContact O-CB 3.42Å; Q326-E330 WeakPolarHBondContact O-CG 3.42Å; Q326-E330 PolarHBondContact O-N 2.85Å
327Q79Confident72.1Confident130 Ų130124 Ų12461%0.60759%0.594SS**Hα-helixtrans-59.8-38.8172.9-75.4-178.8-17.700111.5R323 R329 S331R323-Q327 WeakPolarHBondContact O-CB 3.37Å; R323-Q327 WeakPolarHBondContact O-CG 3.5Å; R323-Q327 PolarHBondContact O-N 3.06Å; Q327-R329 VanDerWaalsContact C-N 3.32Å; Q327-R329 PolarHBondContact O-N 3.1Å; Q327-S331 VanDerWaalsContact O-CB 3.23Å; Q327-S331 WeakPolarHBondContact O-CB 3.41Å; Q327-S331 PolarHBondContact O-N 3.06Å; Q327-S331 PolarHBondContact O-OG 2.76Å
328A77.1Confident70Confident57 Ų57124.3 Ų124.347%0.47161%0.608SS.*Hα-helixtrans-66.6-31.4173.200000112.8I324 A325 Q326 S331 R332I324-A328 VanDerWaalsContact O-CB 3.25Å; I324-A328 WeakPolarHBondContact O-CB 3.44Å; I324-A328 PolarHBondContact O-N 2.95Å; A325-A328 PolarHBondContact O-N 2.88Å; Q326-A328 VanDerWaalsContact C-N 3.27Å; Q326-A328 PolarHBondContact O-N 3.2Å; A328-S331 WeakPolarHBondContact CA-OG 3.44Å; A328-S331 PolarHBondContact O-OG 2.98Å; A328-S331 VanDerWaalsContact O-OG 3.14Å; A328-R332 WeakPolarHBondContact O-CB 3.22Å; A328-R332 PolarHBondContact O-N 3.38Å
329R70.8Confident67.9Low189 Ų189122 Ų12271%0.71362%0.618SS**Hα-helixtrans-78.1-42.5174.4-77178.3-175.1-172.53112.6A325 Q326 Q327 R332 A333A325-R329 WeakPolarHBondContact O-CB 3.21Å; A325-R329 VanDerWaalsContact O-CG 3.31Å; A325-R329 WeakPolarHBondContact O-CG 3.49Å; A325-R329 PolarHBondContact O-N 3.38Å; Q326-R329 CarbonylContact O-C 3.57Å; Q326-R329 WeakPolarHBondContact O-CA 3.3Å; Q326-R329 WeakPolarHBondContact O-CB 3.22Å; Q326-R329 PolarHBondContact O-N 2.9Å; Q327-R329 VanDerWaalsContact C-N 3.32Å; Q327-R329 PolarHBondContact O-N 3.1Å; R329-R332 CarbonylContact O-C 3.59Å; R329-R332 WeakPolarHBondContact O-CA 3.22Å; R329-R332 WeakPolarHBondContact O-CB 3.46Å; R329-R332 PolarHBondContact O-N 3.25Å; R329-A333 VanDerWaalsContact O-CB 3.27Å; R329-A333 WeakPolarHBondContact O-CB 3.49Å; R329-A333 PolarHBondContact O-N 2.84Å
330E67.8Low65.6Low131 Ų131122 Ų12261%0.61263%0.634SS**Hα-helixtrans-65.5-40.8175.8-75.2176.2177.500110.6Q326 R332 A333 G334Q326-E330 WeakPolarHBondContact O-CB 3.42Å; Q326-E330 WeakPolarHBondContact O-CG 3.42Å; Q326-E330 PolarHBondContact O-N 2.85Å; E330-R332 PolarHBondContact O-N 2.7Å; E330-A333 PolarHBondContact O-N 3.46Å; E330-G334 VanDerWaalsContact O-CA 3.31Å; E330-G334 WeakPolarHBondContact O-CA 3.38Å; E330-G334 PolarHBondContact O-N 2.95Å
331S61.3Low63.1Low72 Ų72122.2 Ų122.250%0.50364%0.644SS.*Hα-helixtrans-67.9-17.4171.158.50000113.4Q327 A328Q327-S331 VanDerWaalsContact O-CB 3.23Å; Q327-S331 WeakPolarHBondContact O-CB 3.41Å; Q327-S331 PolarHBondContact O-N 3.06Å; Q327-S331 PolarHBondContact O-OG 2.76Å; A328-S331 WeakPolarHBondContact CA-OG 3.44Å; A328-S331 PolarHBondContact O-OG 2.98Å; A328-S331 VanDerWaalsContact O-OG 3.14Å
332R57.4Low60.8Low218 Ų218125.4 Ų125.482%0.82366%0.655SS**Hα-helixtrans-91.2-29.8171.7-162.9176.1-165.3-175.95.3113.1A328 R329 E330A328-R332 WeakPolarHBondContact O-CB 3.22Å; A328-R332 PolarHBondContact O-N 3.38Å; R329-R332 CarbonylContact O-C 3.59Å; R329-R332 WeakPolarHBondContact O-CA 3.22Å; R329-R332 WeakPolarHBondContact O-CB 3.46Å; R329-R332 PolarHBondContact O-N 3.25Å; E330-R332 PolarHBondContact O-N 2.7Å
333A56.4Low58.4Low78 Ų78123.8 Ų123.865%0.64567%0.671SS**Hα-helixtrans-94.3-17.8-179.200000113R329 E330 L335R329-A333 VanDerWaalsContact O-CB 3.27Å; R329-A333 WeakPolarHBondContact O-CB 3.49Å; R329-A333 PolarHBondContact O-N 2.84Å; E330-A333 PolarHBondContact O-N 3.46Å; A333-L335 PolarHBondContact O-N 2.92Å
334G54.2Low56Low56 Ų56119.2 Ų119.258%0.57768%0.677SS**  trans-77.85.3-178.600000115.3E330E330-G334 VanDerWaalsContact O-CA 3.31Å; E330-G334 WeakPolarHBondContact O-CA 3.38Å; E330-G334 PolarHBondContact O-N 2.95Å
335L44Very low53.7Low102 Ų102121.9 Ų121.953%0.53469%0.692SS.*SBendtrans-9961.2164.4-122.479.4000110A333A333-L335 PolarHBondContact O-N 2.92Å
336R39Very low51.7Low234 Ų234127.3 Ų127.388%0.88372%0.715SS**  trans-160.395.9159.3-112.9-178163.6-175.5-5.5107.5
337R41.5Very low50Low241 Ų241128.9 Ų128.991%0.90973%0.727SS**  trans-123.9162.1170.2-118-153.8166.3-161.5-2.6108.9
338P45.9Very low48.7Very low119 Ų119126.6 Ų126.677%0.77372%0.723SS**  -135.5-175.8-112.435.7-13.3000113.9
339G45.7Very low47.6Very low80 Ų80131.6 Ų131.683%0.82574%0.736SS**  trans176.9140.7166.700000108.5
340A39.7Very low47.1Very low92 Ų92129.1 Ų129.176%0.7674%0.737SS**  cis-137.5159.419.800000108.5
341T36.8Very low46.6Very low123 Ų123129.9 Ų129.976%0.75574%0.742SS**  cis-164.7151.248.15.30000105
342E37.5Very low46.6Very low182 Ų182131.3 Ų131.385%0.8574%0.744SS**  cis-174.7140.926-138.7165.3-144.200106.9
343G35.9Very low47Very low86 Ų86129.8 Ų129.889%0.88774%0.739SS**  trans86.1110.1148.600000120.3
344G34Very low47.5Very low74 Ų74131.4 Ų131.476%0.76373%0.733SS**  trans146.572.8149.400000117.1
345D37.3Very low48.2Very low152 Ų152134.3 Ų134.381%0.81373%0.731SS**  trans33.4101150.2-65.5-22.7000119.9
346N42Very low49.3Very low157 Ų157134 Ų13484%0.8473%0.73SS**SBend-176.8114.6124.3-85.7-48.1000108P348N346-P348 VanDerWaalsContact O-CD 3.32Å; N346-P348 WeakPolarHBondContact O-CD 3.48Å; N346-P348 VanDerWaalsContact O-N 3.1Å
347D47.3Very low51.1Low134 Ų134130.3 Ų130.372%0.71772%0.716SS**  trans-27.493.3-165.7-121.7-27.1000117.1
348P52Low52.8Low82 Ų82126.8 Ų126.853%0.53270%0.702SS.*Hα-helixtrans-79.5-15.1-170.728.5-32.7000115.1N346 L350 M351 D352N346-P348 VanDerWaalsContact O-CD 3.32Å; N346-P348 WeakPolarHBondContact O-CD 3.48Å; N346-P348 VanDerWaalsContact O-N 3.1Å; P348-L350 PolarHBondContact O-N 3.44Å; P348-M351 PolarHBondContact O-N 2.92Å; P348-D352 PolarHBondContact O-N 2.89Å
349E53.7Low54Low161 Ų161122.8 Ų122.875%0.75267%0.674SS**Hα-helixtrans-74.6-25.2-172.9-70.6-167.3160.600114.9
350L58.9Low55.6Low137 Ų137126.5 Ų126.572%0.71766%0.663SS**Hα-helixtrans-80.4-33176.2-77.5170.1000112.4P348 E354P348-L350 PolarHBondContact O-N 3.44Å; L350-E354 PolarHBondContact O-N 2.88Å
351M59Low57.6Low147 Ų147124.5 Ų124.572%0.72465%0.647SS**Hα-helixtrans-71.8-42176.8-73.4-139.6-17900111.7P348 R353 E354 E355P348-M351 PolarHBondContact O-N 2.92Å; M351-R353 VanDerWaalsContact C-N 3.25Å; M351-R353 PolarHBondContact O-N 3.39Å; M351-E354 PolarHBondContact O-N 3.42Å; M351-E355 VanDerWaalsContact O-CB 3.31Å; M351-E355 WeakPolarHBondContact O-CB 3.48Å; M351-E355 PolarHBondContact O-N 3.48Å
352D61.1Low59.5Low103 Ų103124.9 Ų124.955%0.55164%0.635SS**Hα-helixtrans-60.6-34.6177.9-83-8.5000112.4P348 L356P348-D352 PolarHBondContact O-N 2.89Å; D352-L356 WeakPolarHBondContact O-CB 3.25Å; D352-L356 PolarHBondContact O-N 3.3Å; D352-L356 VanDerWaalsContact O-N 3.08Å
353R65.2Low61Low186 Ų186119.7 Ų119.770%0.70261%0.613SS**Hα-helixtrans-75.2-34-179.4-159.9171-171.4160.51.7113.3M351 R357M351-R353 VanDerWaalsContact C-N 3.25Å; M351-R353 PolarHBondContact O-N 3.39Å; R353-R357 PolarHBondContact O-N 3.43Å
354E67.3Low63.1Low111 Ų111123.7 Ų123.752%0.51960%0.601SS.*Hα-helixtrans-80-33.4176.6-162.360.6-149.400111.3L350 M351 R357 R358L350-E354 PolarHBondContact O-N 2.88Å; M351-E354 PolarHBondContact O-N 3.42Å; E354-R357 PolarHBondContact O-N 3.37Å; E354-R357 IonicContact OE2-NH1 2.87Å; E354-R357 PolarHBondContact OE2-NH1 3.11Å; E354-R358 PolarHBondContact O-N 3Å
355E68.1Low65.1Low117 Ų117122.6 Ų122.655%0.54759%0.585SS.*Hα-helixtrans-64.4-40.9173-162.2159.3-142.200111.4M351 R357 R358 D359M351-E355 VanDerWaalsContact O-CB 3.31Å; M351-E355 WeakPolarHBondContact O-CB 3.48Å; M351-E355 PolarHBondContact O-N 3.48Å; E355-R357 VanDerWaalsContact C-N 3.3Å; E355-R357 PolarHBondContact O-N 3.43Å; E355-R358 PolarHBondContact O-N 3.39Å; E355-R358 VanDerWaalsContact O-N 3.12Å; E355-D359 WeakPolarHBondContact O-CB 3.32Å; E355-D359 PolarHBondContact O-N 2.89Å
356L67.8Low66.6Low97 Ų97121.2 Ų121.251%0.50857%0.569SS.*Hα-helixtrans-63.2-31.5174.7-158.184.8000113.6D352 R360D352-L356 WeakPolarHBondContact O-CB 3.25Å; D352-L356 PolarHBondContact O-N 3.3Å; D352-L356 VanDerWaalsContact O-N 3.08Å; L356-R360 PolarHBondContact O-N 2.88Å
357R76.7Confident67.8Low156 Ų156120.2 Ų120.259%0.58956%0.559SS**Hα-helixtrans-71.7-43.5172.4-90.7-172.7-167.6143.5-1.6111.3R353 E354 E355 D359 R360 A361R353-R357 PolarHBondContact O-N 3.43Å; E354-R357 PolarHBondContact O-N 3.37Å; E354-R357 IonicContact OE2-NH1 2.87Å; E354-R357 PolarHBondContact OE2-NH1 3.11Å; E355-R357 VanDerWaalsContact C-N 3.3Å; E355-R357 PolarHBondContact O-N 3.43Å; R357-D359 VanDerWaalsContact C-N 3.34Å; R357-R360 PolarHBondContact O-N 2.98Å; R357-A361 PolarHBondContact O-N 3.49Å; R357-A361 VanDerWaalsContact O-N 3.1Å
358R77.3Confident69.1Low167 Ų167122.1 Ų122.163%0.6356%0.556SS**Hα-helixtrans-67.1-36.7-178.3-161.3174.8-175.3155.21.5111.7E354 E355 A361 R362E354-R358 PolarHBondContact O-N 3Å; E355-R358 PolarHBondContact O-N 3.39Å; E355-R358 VanDerWaalsContact O-N 3.12Å; R358-A361 PolarHBondContact O-N 3.5Å; R358-R362 PolarHBondContact O-N 3.01Å
359D71.2Confident69.8Low34 Ų34123.4 Ų123.418%0.18256%0.558CS.*Hα-helixtrans-67.6-45.4174.7-84.3-7.7000112.2E355 R357 A361 R362 D363E355-D359 WeakPolarHBondContact O-CB 3.32Å; E355-D359 PolarHBondContact O-N 2.89Å; R357-D359 VanDerWaalsContact C-N 3.34Å; D359-A361 PolarHBondContact O-N 3.11Å; D359-R362 PolarHBondContact O-N 2.98Å; D359-R362 VanDerWaalsContact O-N 3.09Å; D359-D363 PolarHBondContact O-N 3.17Å
360R78.2Confident70.1Confident158 Ų158121 Ų12160%0.59655%0.551SS**Hα-helixtrans-62.4-25.2173.6-95.8-173.6-88.2173.3-14114L356 R357 R364L356-R360 PolarHBondContact O-N 2.88Å; R357-R360 PolarHBondContact O-N 2.98Å; R360-R364 PolarHBondContact O-N 3.04Å; R360-R364 PolarHBondContact O-NE 3.36Å
361A81.6Confident70.3Confident51 Ų51118.9 Ų118.942%0.42155%0.552SS.*Hα-helixtrans-78.3-40.8172.900000111.8R357 R358 D359 A365R357-A361 PolarHBondContact O-N 3.49Å; R357-A361 VanDerWaalsContact O-N 3.1Å; R358-A361 PolarHBondContact O-N 3.5Å; D359-A361 PolarHBondContact O-N 3.11Å; A361-A365 PolarHBondContact O-N 3.21Å; A361-A365 VanDerWaalsContact O-N 3.13Å
362R76.7Confident70.6Confident131 Ų131121.1 Ų121.149%0.49455%0.553SS.*Hα-helixtrans-64.8-39.9174.1-86.3179.4-175.7155-0.9112.5R358 D359 A365 R366R358-R362 PolarHBondContact O-N 3.01Å; D359-R362 PolarHBondContact O-N 2.98Å; D359-R362 VanDerWaalsContact O-N 3.09Å; R362-A365 WeakPolarHBondContact O-CB 3.32Å; R362-A365 PolarHBondContact O-N 3.35Å; R362-R366 WeakPolarHBondContact O-CB 3.22Å; R362-R366 PolarHBondContact O-N 2.82Å
363D70.3Confident70.5Confident73 Ų73118.8 Ų118.839%0.3954%0.544SS..Hα-helixtrans-66.6-42.4179.5-78.3-13.4000111.8D359 A365 R366 E367D359-D363 PolarHBondContact O-N 3.17Å; D363-A365 VanDerWaalsContact C-N 3.28Å; D363-A365 PolarHBondContact O-N 3.2Å; D363-R366 PolarHBondContact O-N 3.02Å; D363-R366 VanDerWaalsContact O-N 3.16Å; D363-R366 IonicContact OD1-NH2 3.11Å; D363-E367 VanDerWaalsContact O-CB 3.32Å; D363-E367 WeakPolarHBondContact O-CB 3.5Å; D363-E367 PolarHBondContact O-N 2.88Å
364R78.2Confident70.3Confident169 Ų169116.2 Ų116.264%0.63855%0.545SS*.Hα-helixtrans-61.8-35.2171.6-87.5-178.5-71.2153.4-4.3112.9R360 R368R360-R364 PolarHBondContact O-N 3.04Å; R360-R364 PolarHBondContact O-NE 3.36Å; R364-R368 VanDerWaalsContact O-CB 3.3Å; R364-R368 WeakPolarHBondContact O-CB 3.41Å; R364-R368 PolarHBondContact O-N 3.13Å
365A77.5Confident70Confident52 Ų52116 Ų11643%0.4355%0.547SS..Hα-helixtrans-70.3-38.9174.500000112A361 R362 D363 R368 N369A361-A365 PolarHBondContact O-N 3.21Å; A361-A365 VanDerWaalsContact O-N 3.13Å; R362-A365 WeakPolarHBondContact O-CB 3.32Å; R362-A365 PolarHBondContact O-N 3.35Å; D363-A365 VanDerWaalsContact C-N 3.28Å; D363-A365 PolarHBondContact O-N 3.2Å; A365-R368 PolarHBondContact O-N 2.76Å; A365-N369 WeakPolarHBondContact O-CB 3.41Å; A365-N369 PolarHBondContact O-N 3.16Å
366R68.8Low69.5Low122 Ų122117.8 Ų117.846%0.4656%0.555SS.*Hα-helixtrans-68.8-42.3178-141.4-174.7-60.7-171.36.2111R362 D363 N369 L370R362-R366 WeakPolarHBondContact O-CB 3.22Å; R362-R366 PolarHBondContact O-N 2.82Å; D363-R366 PolarHBondContact O-N 3.02Å; D363-R366 VanDerWaalsContact O-N 3.16Å; D363-R366 IonicContact OD1-NH2 3.11Å; R366-N369 CarbonylContact O-C 3.59Å; R366-N369 PolarHBondContact O-N 3.47Å; R366-L370 WeakPolarHBondContact O-CB 3.32Å; R366-L370 PolarHBondContact O-N 3.04Å
367E67.4Low69.2Low137 Ų137115.2 Ų115.264%0.6455%0.548SS*.Hα-helixtrans-63.7-41.3174.2-171176.6-162.400111.5D363 N369 L370 A371D363-E367 VanDerWaalsContact O-CB 3.32Å; D363-E367 WeakPolarHBondContact O-CB 3.5Å; D363-E367 PolarHBondContact O-N 2.88Å; E367-N369 VanDerWaalsContact C-N 3.29Å; E367-N369 PolarHBondContact O-N 3.35Å; E367-L370 PolarHBondContact O-N 3.38Å; E367-A371 WeakPolarHBondContact O-CB 3.35Å; E367-A371 PolarHBondContact O-N 3.48Å
368R72.9Confident68.6Low173 Ų173114.7 Ų114.765%0.65355%0.55SS*.Hα-helixtrans-63.7-33.2173.2-163.3-179.2-158.3-171.54.7112.8R364 A365 R372R364-R368 VanDerWaalsContact O-CB 3.3Å; R364-R368 WeakPolarHBondContact O-CB 3.41Å; R364-R368 PolarHBondContact O-N 3.13Å; A365-R368 PolarHBondContact O-N 2.76Å; R368-R372 WeakPolarHBondContact O-CD 3.3Å; R368-R372 VanDerWaalsContact O-CG 3.26Å; R368-R372 WeakPolarHBondContact O-CG 3.46Å; R368-R372 PolarHBondContact O-N 2.85Å
369N67.8Low68Low109 Ų109110 Ų11058%0.58355%0.547SS*.Hα-helixtrans-79.5-37.7175.6-79-12.4000112.5A365 R366 E367 R372 S373A365-N369 WeakPolarHBondContact O-CB 3.41Å; A365-N369 PolarHBondContact O-N 3.16Å; R366-N369 CarbonylContact O-C 3.59Å; R366-N369 PolarHBondContact O-N 3.47Å; E367-N369 VanDerWaalsContact C-N 3.29Å; E367-N369 PolarHBondContact O-N 3.35Å; N369-R372 CarbonylContact O-C 3.59Å; N369-R372 PolarHBondContact O-N 3.25Å; N369-R372 VanDerWaalsContact O-N 3.16Å; N369-S373 WeakPolarHBondContact O-CB 3.11Å; N369-S373 PolarHBondContact O-N 3.23Å
370L59.1Low67.8Low112 Ų112115.7 Ų115.759%0.58657%0.57SS**Hα-helixtrans-66.9-40.6175.6-131.579.1000110.9R366 E367 R372 S373R366-L370 WeakPolarHBondContact O-CB 3.32Å; R366-L370 PolarHBondContact O-N 3.04Å; E367-L370 PolarHBondContact O-N 3.38Å; L370-R372 PolarHBondContact O-N 2.92Å; L370-S373 PolarHBondContact O-N 3.16Å
371A64.8Low67.2Low91 Ų91113.5 Ų113.575%0.75257%0.569SS**THydrogen-bonded Turntrans-65.7-17.8173.300000113.4E367E367-A371 WeakPolarHBondContact O-CB 3.35Å; E367-A371 PolarHBondContact O-N 3.48Å
372R65Low66.5Low195 Ų195117.6 Ų117.674%0.73658%0.579SS**THydrogen-bonded Turntrans-100.7-15.9176.3-73.6177.7177.6-112.8-4113.7R368 N369 L370R368-R372 WeakPolarHBondContact O-CD 3.3Å; R368-R372 VanDerWaalsContact O-CG 3.26Å; R368-R372 WeakPolarHBondContact O-CG 3.46Å; R368-R372 PolarHBondContact O-N 2.85Å; N369-R372 CarbonylContact O-C 3.59Å; N369-R372 PolarHBondContact O-N 3.25Å; N369-R372 VanDerWaalsContact O-N 3.16Å; L370-R372 PolarHBondContact O-N 2.92Å
373S57.7Low66.1Low54 Ų54118.6 Ų118.638%0.37859%0.587SS.*  trans-107.5101.6-174.9159.90000110.2N369 L370 N375N369-S373 WeakPolarHBondContact O-CB 3.11Å; N369-S373 PolarHBondContact O-N 3.23Å; L370-S373 PolarHBondContact O-N 3.16Å; S373-N375 PolarHBondContact O-N 2.77Å
374N61.1Low65.8Low132 Ų132117.5 Ų117.571%0.70658%0.581SS**THydrogen-bonded Turntrans-69.536.5-177.4-149.13.6000114.6
375N61.8Low65.4Low105 Ų105117.3 Ų117.356%0.56159%0.585SS**Hα-helixtrans-86.7-22.3-177.8-92-7.1000113.3S373 A377 K378 A379S373-N375 PolarHBondContact O-N 2.77Å; N375-A377 VanDerWaalsContact C-N 3.33Å; N375-K378 PolarHBondContact O-N 3.09Å; N375-A379 PolarHBondContact O-N 3.34Å
376E57.8Low65Low156 Ų156122.6 Ų122.673%0.72960%0.601SS**Hα-helixtrans-71.6-31178.4-146172.3-158.900112K380E376-K380 PolarHBondContact O-N 3.14Å
377A61.6Low65.1Low43 Ų43120.3 Ų120.336%0.35559%0.592SS.*Hα-helixtrans-64.4-39.8171.100000111.7N375 K380 I381N375-A377 VanDerWaalsContact C-N 3.33Å; A377-K380 PolarHBondContact O-N 3.43Å; A377-I381 WeakPolarHBondContact O-CB 3.36Å; A377-I381 WeakPolarHBondContact O-CD1 3.47Å; A377-I381 WeakPolarHBondContact O-CG1 3.3Å; A377-I381 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-N 3.12Å
378K62.9Low65.4Low144 Ų144119.2 Ų119.263%0.62659%0.591SS**Hα-helixtrans-68.1-43.7-176.7-69.2-174.3174.1-175.80112.9N375 K380 I381 E382N375-K378 PolarHBondContact O-N 3.09Å; K378-K380 VanDerWaalsContact C-N 3.33Å; K378-K380 PolarHBondContact O-N 2.94Å; K378-I381 PolarHBondContact O-N 3.17Å; K378-E382 PolarHBondContact O-N 3.3Å
379A66.2Low65.1Low68 Ų68116.2 Ų116.256%0.56259%0.587SS**Hα-helixtrans-68.2-31.3179.400000113.1N375N375-A379 PolarHBondContact O-N 3.34Å
380K66.5Low65.5Low155 Ų155115 Ų11567%0.67459%0.586SS**Hα-helixtrans-73-38.8176.1-141.8179.3-175.7-1720111.8E376 A377 K378 D384E376-K380 PolarHBondContact O-N 3.14Å; A377-K380 PolarHBondContact O-N 3.43Å; K378-K380 VanDerWaalsContact C-N 3.33Å; K378-K380 PolarHBondContact O-N 2.94Å; K380-D384 PolarHBondContact O-N 3.3Å
381I64.9Low66.2Low112 Ų112114.5 Ų114.557%0.57458%0.581SS**Hα-helixtrans-67-38.1179.4-70.1164.3000112A377 K378 K385A377-I381 WeakPolarHBondContact O-CB 3.36Å; A377-I381 WeakPolarHBondContact O-CD1 3.47Å; A377-I381 WeakPolarHBondContact O-CG1 3.3Å; A377-I381 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-N 3.12Å; K378-I381 PolarHBondContact O-N 3.17Å; I381-K385 PolarHBondContact O-N 2.83Å
382E67.6Low66.5Low136 Ų136111.3 Ų111.364%0.63655%0.551SS**Hα-helixtrans-67.3-41.2179.5-166.9166.5-16000111.9K378 D384 K385K378-E382 PolarHBondContact O-N 3.3Å; E382-D384 PolarHBondContact O-N 3.42Å; E382-K385 WeakPolarHBondContact O-CB 3.31Å; E382-K385 PolarHBondContact O-N 3.47Å
383K67.8Low66.7Low153 Ų153108.3 Ų108.367%0.66555%0.548SS*.Hα-helixtrans-69.3-28.6178.4-162.8173.4-176.1177.10113.9K385K383-K385 VanDerWaalsContact C-N 3.32Å
384D65.1Low67.5Low49 Ų49110 Ų11026%0.26257%0.565SS.*Hα-helixtrans-81.6-13.8175.4-71.8-15.2000112.7K380 E382 R387 Q392K380-D384 PolarHBondContact O-N 3.3Å; E382-D384 PolarHBondContact O-N 3.42Å; D384-R387 IonicContact OD1-CZ 3.14Å; D384-R387 IonicContact OD1-NE 3.24Å; D384-R387 PolarHBondContact OD1-NE 3.03Å; D384-R387 IonicContact OD1-NH2 2.71Å; D384-R387 PolarHBondContact OD1-NH2 2.98Å; D384-Q392 PolarHBondContact O-NE2 2.81Å; D384-Q392 VanDerWaalsContact O-NE2 3.14Å
385K69.4Low67.8Low166 Ų166108.6 Ų108.672%0.72256%0.557SS**Hα-helixtrans-80.2-24.7179.2-149.9177-176.4-177.10113.2I381 E382 K383I381-K385 PolarHBondContact O-N 2.83Å; E382-K385 WeakPolarHBondContact O-CB 3.31Å; E382-K385 PolarHBondContact O-N 3.47Å; K383-K385 VanDerWaalsContact C-N 3.32Å
386E68Low68.1Low162 Ų162106.8 Ų106.876%0.75756%0.564SS**SBendtrans-92.1-4.7178.7-66-174.116300114.1D388E386-D388 PolarHBondContact O-N 3.47Å
387R72Confident68.6Low74 Ų74102.8 Ų102.828%0.27955%0.547SS..SBendtrans-70.5129.5177.4-67.1-172.6-161.7-174.210.9110.6D384 Q392D384-R387 IonicContact OD1-CZ 3.14Å; D384-R387 IonicContact OD1-NE 3.24Å; D384-R387 PolarHBondContact OD1-NE 3.03Å; D384-R387 IonicContact OD1-NH2 2.71Å; D384-R387 PolarHBondContact OD1-NH2 2.98Å; R387-Q392 HydrophobicContact CB-CG 4.16Å
388D72.5Confident68.6Low114 Ų114106.2 Ų106.261%0.6157%0.565SS**  trans-56.2145.8174.3-82.5-27000110.8E386 S390 E391 Q392E386-D388 PolarHBondContact O-N 3.47Å; D388-S390 PolarHBondContact O-N 3.2Å; D388-S390 VanDerWaalsContact O-N 3.1Å; D388-E391 HydrophobicContact CB-CG 4.48Å; D388-E391 PolarHBondContact O-N 2.84Å; D388-Q392 PolarHBondContact O-N 2.85Å
389I67.6Low68.7Low111 Ų111103.4 Ų103.457%0.56956%0.557SS**Hα-helixtrans-57-31.8-176.3-60.8164.5000110.8I393I389-I393 HydrophobicContact CG2-CD1 4.13Å; I389-I393 WeakPolarHBondContact O-CD1 3.23Å; I389-I393 VanDerWaalsContact O-CG1 3.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.35Å; I389-I393 PolarHBondContact O-N 3.43Å
390S76.6Confident68.3Low82 Ų82104 Ų10457%0.57356%0.556SS**Hα-helixtrans-65.2-39.1173.648.90000113.1D388 I393 A394D388-S390 PolarHBondContact O-N 3.2Å; D388-S390 VanDerWaalsContact O-N 3.1Å; S390-I393 PolarHBondContact O-N 2.81Å; S390-A394 WeakPolarHBondContact O-CB 3.31Å; S390-A394 PolarHBondContact O-N 3.12Å
391E74Confident67.9Low103 Ų103105.8 Ų105.848%0.48156%0.558SS.*Hα-helixtrans-75.5-33.8178.5-64.9-165.6165.400112.4D388 I393 A394 L395D388-E391 HydrophobicContact CB-CG 4.48Å; D388-E391 PolarHBondContact O-N 2.84Å; E391-I393 VanDerWaalsContact C-N 3.32Å; E391-I393 PolarHBondContact O-N 3.45Å; E391-A394 PolarHBondContact O-N 2.85Å; E391-L395 WeakPolarHBondContact O-CB 3.45Å; E391-L395 PolarHBondContact O-N 2.88Å
392Q69.7Low67.5Low23 Ų23109 Ų10911%0.10757%0.568CS.*Hα-helixtrans-62.5-39.3171.6-81.5-176.9-7.100111.9D384 R387 D388 G396 L397D384-Q392 PolarHBondContact O-NE2 2.81Å; D384-Q392 VanDerWaalsContact O-NE2 3.14Å; R387-Q392 HydrophobicContact CB-CG 4.16Å; D388-Q392 PolarHBondContact O-N 2.85Å; Q392-G396 PolarHBondContact O-N 2.76Å; Q392-L397 PolarHBondContact O-N 2.92Å
393I69.2Low66.8Low132 Ų132110.2 Ų110.268%0.67758%0.579SS**Hα-helixtrans-69.1-43.3176.4-66.2166.5000110.8I389 S390 E391 L395 G396I389-I393 HydrophobicContact CG2-CD1 4.13Å; I389-I393 WeakPolarHBondContact O-CD1 3.23Å; I389-I393 VanDerWaalsContact O-CG1 3.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.35Å; I389-I393 PolarHBondContact O-N 3.43Å; S390-I393 PolarHBondContact O-N 2.81Å; E391-I393 VanDerWaalsContact C-N 3.32Å; E391-I393 PolarHBondContact O-N 3.45Å; I393-L395 VanDerWaalsContact C-N 3.32Å; I393-L395 PolarHBondContact O-N 3.25Å; I393-G396 PolarHBondContact O-N 3.26Å
394A74.8Confident66.2Low89 Ų89107.3 Ų107.374%0.73658%0.578SS**Hα-helixtrans-68-27.2-179.700000114S390 E391S390-A394 WeakPolarHBondContact O-CB 3.31Å; S390-A394 PolarHBondContact O-N 3.12Å; E391-A394 PolarHBondContact O-N 2.85Å
395L67.6Low65.7Low103 Ų103111.8 Ų111.854%0.53961%0.607SS.*THydrogen-bonded Turntrans-92.53.8177.7-82.7152.2000114.2E391 I393 L397E391-L395 WeakPolarHBondContact O-CB 3.45Å; E391-L395 PolarHBondContact O-N 2.88Å; I393-L395 VanDerWaalsContact C-N 3.32Å; I393-L395 PolarHBondContact O-N 3.25Å; L395-L397 HydrophobicContact CB-CD1 3.8Å; L395-L397 HydrophobicContact CB-CG 4.13Å; L395-L397 PolarHBondContact O-N 3.4Å; L395-L397 VanDerWaalsContact O-N 3.15Å
396G68.6Low64.8Low68 Ų68111.4 Ų111.470%0.70161%0.613SS**THydrogen-bonded Turntrans60.424.1179.200000113.7Q392 I393Q392-G396 PolarHBondContact O-N 2.76Å; I393-G396 PolarHBondContact O-N 3.26Å
397L68.1Low64Low71 Ų71111.8 Ų111.837%0.37262%0.615SS.*  trans-84.8123.7-177.4-74.6161.6000109.5Q392 L395 N399Q392-L397 PolarHBondContact O-N 2.92Å; L395-L397 HydrophobicContact CB-CD1 3.8Å; L395-L397 HydrophobicContact CB-CG 4.13Å; L395-L397 PolarHBondContact O-N 3.4Å; L395-L397 VanDerWaalsContact O-N 3.15Å; L397-N399 PolarHBondContact O-N 3.02Å
398P62.4Low63.4Low115 Ų115113 Ų11375%0.74764%0.635SS**  trans-64.9131.6179.924.5-31.6000111P400P398-P400 VanDerWaalsContact O-CD 3.3Å; P398-P400 WeakPolarHBondContact O-CD 3.49Å
399N63.6Low62.9Low86 Ų86116.5 Ų116.546%0.4665%0.653SS.*  trans-56.6113.1-176.6-179.33.2000111.9L397 R401L397-N399 PolarHBondContact O-N 3.02Å; N399-R401 PolarHBondContact O-N 3.33Å; N399-R401 VanDerWaalsContact O-N 3.1Å; N399-R401 VanDerWaalsContact OD1-CB 3.3Å; N399-R401 WeakPolarHBondContact OD1-CB 3.44Å; N399-R401 WeakPolarHBondContact OD1-CG 3.45Å; N399-R401 PolarHBondContact OD1-N 2.96Å; N399-R401 VanDerWaalsContact OD1-N 3.07Å
400P57.7Low63Low81 Ų81117 Ų11753%0.52665%0.651SS.*G310 helixtrans-71.9-2.6-177.428.8-34000113.7P398 F402P398-P400 VanDerWaalsContact O-CD 3.3Å; P398-P400 WeakPolarHBondContact O-CD 3.49Å; P400-F402 VanDerWaalsContact C-N 3.32Å; P400-F402 PolarHBondContact O-N 2.87Å
401R57.8Low62.7Low192 Ų192116 Ų11673%0.72564%0.639SS**G310 helixtrans-79.9-8.2-179.7-60.6-176.4-173.5-176.93.1114.4N399N399-R401 PolarHBondContact O-N 3.33Å; N399-R401 VanDerWaalsContact O-N 3.1Å; N399-R401 VanDerWaalsContact OD1-CB 3.3Å; N399-R401 WeakPolarHBondContact OD1-CB 3.44Å; N399-R401 WeakPolarHBondContact OD1-CG 3.45Å; N399-R401 PolarHBondContact OD1-N 2.96Å; N399-R401 VanDerWaalsContact OD1-N 3.07Å
402F57.1Low62.9Low178 Ų178118.9 Ų118.978%0.78165%0.652SS**G310 helixtrans-89.4-14.3-175.4-120.7-87.9000115P400P400-F402 VanDerWaalsContact C-N 3.32Å; P400-F402 PolarHBondContact O-N 2.87Å
403N54.3Low63.2Low162 Ų162126.9 Ų126.987%0.86668%0.682SS**SBendtrans-143.824.6-165.7-101.90000116.8
404S53.9Low63.4Low93 Ų93126.1 Ų126.165%0.6568%0.678SS**  trans-134.450.7-173-170.50000115.5
405T54.5Low63.2Low142 Ų142128.2 Ų128.287%0.87167%0.671SS**  trans-95.482.2163.452.10000109.8
406N50.5Low63.3Low158 Ų158130.8 Ų130.885%0.84569%0.685SS**  trans-102.153.1179.7-101-16000111.9
407E52.4Low63.5Low170 Ų170133.2 Ų133.279%0.79468%0.678SS**SBendtrans-142.8107.5167.4-94178.5177.600110.4
408S58.3Low63.6Low100 Ų100135.4 Ų135.470%0.69970%0.7SS**  trans58.8121.9159.644.60000119.2F410S408-F410 VanDerWaalsContact O-CD1 3.22Å; S408-F410 WeakPolarHBondContact O-CD1 3.31Å; S408-F410 PolarHBondContact O-N 3.12Å
409L62.3Low63.7Low188 Ų188136.6 Ų136.698%0.98469%0.693SS**  trans-58.187.2171.5-70.889.5000112.1
410F69.4Low63.8Low121 Ų121135.7 Ų135.753%0.53170%0.704SS.*  trans-102.5132.4161.761.5-91.7000109.6S408 Q412 F415S408-F410 VanDerWaalsContact O-CD1 3.22Å; S408-F410 WeakPolarHBondContact O-CD1 3.31Å; S408-F410 PolarHBondContact O-N 3.12Å; F410-Q412 PolarHBondContact O-N 3.04Å; F410-F415 HydrophobicContact CD2-CD2 4.04Å; F410-F415 HydrophobicContact CE2-CD2 4.39Å
411D71.5Confident64.2Low62 Ų62140.3 Ų140.333%0.33272%0.723SS.*  trans-71.2115.1175.3-168.8-19.8000108.5R413 L414 F415D411-R413 PolarHBondContact O-N 3.44Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-R413 VanDerWaalsContact OD1-CB 3.25Å; D411-R413 WeakPolarHBondContact OD1-CB 3.5Å; D411-R413 WeakPolarHBondContact OD1-CG 3.34Å; D411-R413 IonicContact OD1-CZ 3.95Å; D411-R413 PolarHBondContact OD1-N 3.5Å; D411-R413 IonicContact OD1-NE 3.4Å; D411-R413 PolarHBondContact OD1-NE 2.83Å; D411-R413 IonicContact OD1-NH2 3.02Å; D411-R413 IonicContact OD2-CZ 2.85Å; D411-R413 IonicContact OD2-NE 3.64Å; D411-R413 PolarHBondContact OD2-NE 3.19Å; D411-R413 VanDerWaalsContact OD2-NE 3.11Å; D411-R413 IonicContact OD2-NH2 2.7Å; D411-R413 PolarHBondContact OD2-NH2 3.2Å; D411-L414 HydrophobicContact CB-CB 4.42Å; D411-L414 HydrophobicContact CB-CD1 3.87Å; D411-L414 HydrophobicContact CB-CG 4.1Å; D411-L414 WeakPolarHBondContact O-CB 3.32Å; D411-L414 PolarHBondContact O-N 3.09Å; D411-F415 PolarHBondContact O-N 3.1Å
412Q76.9Confident64.6Low162 Ų162138.9 Ų138.976%0.75773%0.73SS**THydrogen-bonded Turntrans-59.8-21.2179.4-141.1155.814.500112.3F410 L414 F415F410-Q412 PolarHBondContact O-N 3.04Å; Q412-L414 VanDerWaalsContact C-N 3.28Å; Q412-L414 PolarHBondContact O-N 2.79Å; Q412-F415 PolarHBondContact O-N 3.42Å
413R77.1Confident65Low191 Ų191134.8 Ų134.872%0.72172%0.724SS**THydrogen-bonded Turntrans-72.7-20.4173.9-59.8174.1-71.4-179.10113.1D411 Q417D411-R413 PolarHBondContact O-N 3.44Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-R413 VanDerWaalsContact OD1-CB 3.25Å; D411-R413 WeakPolarHBondContact OD1-CB 3.5Å; D411-R413 WeakPolarHBondContact OD1-CG 3.34Å; D411-R413 IonicContact OD1-CZ 3.95Å; D411-R413 PolarHBondContact OD1-N 3.5Å; D411-R413 IonicContact OD1-NE 3.4Å; D411-R413 PolarHBondContact OD1-NE 2.83Å; D411-R413 IonicContact OD1-NH2 3.02Å; D411-R413 IonicContact OD2-CZ 2.85Å; D411-R413 IonicContact OD2-NE 3.64Å; D411-R413 PolarHBondContact OD2-NE 3.19Å; D411-R413 VanDerWaalsContact OD2-NE 3.11Å; D411-R413 IonicContact OD2-NH2 2.7Å; D411-R413 PolarHBondContact OD2-NH2 3.2Å; R413-Q417 PolarHBondContact O-NE2 3.45Å
414L72.3Confident65.4Low116 Ų116129.7 Ų129.761%0.60771%0.709SS**THydrogen-bonded Turntrans-92.3-16.4177.2-67.1170.7000112.3D411 Q412D411-L414 HydrophobicContact CB-CB 4.42Å; D411-L414 HydrophobicContact CB-CD1 3.87Å; D411-L414 HydrophobicContact CB-CG 4.1Å; D411-L414 WeakPolarHBondContact O-CB 3.32Å; D411-L414 PolarHBondContact O-N 3.09Å; Q412-L414 VanDerWaalsContact C-N 3.28Å; Q412-L414 PolarHBondContact O-N 2.79Å
415F71.1Confident66Low134 Ų134133.6 Ų133.659%0.58872%0.715SS**THydrogen-bonded Turntrans-80.1139.2175.8-133.2-94.7000110.4F410 D411 Q412 Q417F410-F415 HydrophobicContact CD2-CD2 4.04Å; F410-F415 HydrophobicContact CE2-CD2 4.39Å; D411-F415 PolarHBondContact O-N 3.1Å; Q412-F415 PolarHBondContact O-N 3.42Å; F415-Q417 VanDerWaalsContact C-N 3.3Å; F415-Q417 PolarHBondContact O-N 3.49Å
416N70.7Confident66.4Low156 Ų156133.2 Ų133.283%0.83470%0.703SS**THydrogen-bonded Turntrans63.522.6-173.2-63-23.5000116.1S418N416-S418 PolarHBondContact O-N 3.33Å
417Q71.7Confident67.3Low119 Ų119129.8 Ų129.856%0.55671%0.705SS**  trans-74.8114.8161.8-64.9-169.20.900109R413 F415 K419R413-Q417 PolarHBondContact O-NE2 3.45Å; F415-Q417 VanDerWaalsContact C-N 3.3Å; F415-Q417 PolarHBondContact O-N 3.49Å; Q417-K419 PolarHBondContact O-N 3.28Å
418S69.6Low68Low117 Ų117123.2 Ų123.282%0.81868%0.683SS**SBendtrans-71.427.4-169.156.40000116.1N416N416-S418 PolarHBondContact O-N 3.33Å
419K65.8Low68.6Low140 Ų140120.7 Ų120.761%0.60967%0.669SS**  trans-103.18.1-168.8-77.9-167.9171.2-165.70116.6Q417 S423Q417-K419 PolarHBondContact O-N 3.28Å; K419-S423 PolarHBondContact O-OG 3.18Å
420G65.5Low69Low67 Ų67118.6 Ų118.669%0.69166%0.658SS**SBendtrans-96.5-30-164.900000118.7
421L66.2Low69.4Low178 Ų178120 Ų12093%0.93267%0.672SS**SBendtrans-124.6-21.9-172.1-79.3163.8000114.3
422D65.4Low69.3Low163 Ų163120.5 Ų120.587%0.87267%0.674SS**SBendtrans-94.1-4-178.1-118.510.9000113.2G424D422-G424 PolarHBondContact O-N 3.37Å
423S64.9Low69Low91 Ų91123 Ų12364%0.63668%0.677SS**  trans-87.919.3-178.650.30000113.5K419K419-S423 PolarHBondContact O-OG 3.18Å
424G64.6Low69Low55 Ų55119.7 Ų119.757%0.56767%0.674SS**SBendtrans-72.7137.9175.300000111.4D422 E426D422-G424 PolarHBondContact O-N 3.37Å; G424-E426 PolarHBondContact O-N 3.18Å
425F65.7Low69.2Low175 Ų175120.3 Ų120.377%0.76868%0.677SS**  trans-55.3103.3167.8-163.8-110.8000107.8G427F425-G427 PolarHBondContact O-N 3.44Å
426E63.4Low69.5Low134 Ų134123.4 Ų123.463%0.62669%0.686SS**  trans-66.278.3-168.2-160.1176.8-168.600110.4G424 G428 A429 L432G424-E426 PolarHBondContact O-N 3.18Å; E426-G428 PolarHBondContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.3Å; E426-A429 VanDerWaalsContact O-N 3.12Å; E426-L432 WeakPolarHBondContact OE2-CD2 3.46Å
427G69.2Low69.7Low86 Ų86123 Ų12389%0.88768%0.684SS**THydrogen-bonded Turntrans61.28.5177.700000116.5F425F425-G427 PolarHBondContact O-N 3.44Å
428G66.2Low70Confident32 Ų32125.1 Ų125.133%0.3369%0.691SS.*THydrogen-bonded Turntrans74.332-172.400000114.5E426 D430E426-G428 PolarHBondContact O-N 3.12Å; G428-D430 PolarHBondContact O-N 3.02Å; G428-D430 VanDerWaalsContact O-N 3.1Å
429A71Confident70.6Confident48 Ų48124.5 Ų124.540%0.39768%0.684SS.*  trans-70.299.6168.100000110.4E426 D431 L432E426-A429 PolarHBondContact O-N 3.3Å; E426-A429 VanDerWaalsContact O-N 3.12Å; A429-D431 PolarHBondContact O-N 3.07Å; A429-L432 HydrophobicContact CB-CD1 3.46Å; A429-L432 VanDerWaalsContact CB-CD1 3.46Å; A429-L432 PolarHBondContact O-N 3.1Å; A429-L432 VanDerWaalsContact O-N 3.15Å
430D71.9Confident71.3Confident143 Ų143129 Ų12977%0.76570%0.698SS**THydrogen-bonded Turntrans-57.8-14.6179-77.2-17.4000114.1G428 L432G428-D430 PolarHBondContact O-N 3.02Å; G428-D430 VanDerWaalsContact O-N 3.1Å; D430-L432 VanDerWaalsContact C-N 3.34Å
431D76.6Confident71.9Confident152 Ų152133.3 Ų133.381%0.81369%0.693SS**THydrogen-bonded Turntrans-79.2-15.6-179.9-64.6-23.6000113.2A429 Y433A429-D431 PolarHBondContact O-N 3.07Å; D431-Y433 PolarHBondContact O-N 3.46Å
432L70Confident72.1Confident72 Ų72126.7 Ų126.738%0.37767%0.668SS.*  trans-90.395.5176.2-74.2110.8000109.8E426 A429 D430 N434E426-L432 WeakPolarHBondContact OE2-CD2 3.46Å; A429-L432 HydrophobicContact CB-CD1 3.46Å; A429-L432 VanDerWaalsContact CB-CD1 3.46Å; A429-L432 PolarHBondContact O-N 3.1Å; A429-L432 VanDerWaalsContact O-N 3.15Å; D430-L432 VanDerWaalsContact C-N 3.34Å; L432-N434 PolarHBondContact O-N 3.24Å
433Y70.7Confident72.1Confident213 Ų213122.9 Ų122.984%0.83565%0.647SS**  trans-63.646.7175.5-87.9-94.3000114.3D431 I435D431-Y433 PolarHBondContact O-N 3.46Å; Y433-I435 PolarHBondContact O-N 3.09Å
434N76.2Confident72.2Confident122 Ų122123.1 Ų123.165%0.65265%0.649SS**  trans-98.629.9-173.1-63.8-13.9000112.7L432 Y436L432-N434 PolarHBondContact O-N 3.24Å; N434-Y436 VanDerWaalsContact C-N 3.29Å; N434-Y436 PolarHBondContact O-N 3.47Å
435I76Confident72.1Confident130 Ų130128 Ų12867%0.66766%0.657SS**  trans-69.3-25.4-175-62.9167.1000112.5Y433Y433-I435 PolarHBondContact O-N 3.09Å
436Y78.1Confident72.1Confident198 Ų198124.2 Ų124.278%0.77665%0.645SS**  trans-117.9125.2-174.9-59.9-70.3000112.1N434 K438N434-Y436 VanDerWaalsContact C-N 3.29Å; N434-Y436 PolarHBondContact O-N 3.47Å; Y436-K438 PolarHBondContact O-N 3.13Å
437D74.9Confident72.2Confident148 Ų148122.6 Ų122.679%0.79164%0.644SS**SBendtrans-70.2-15.5178.5-69.9-22000114.5
438K78.6Confident72.2Confident164 Ų164123.1 Ų123.171%0.71363%0.626SS**SBendtrans-143.1142.7-176.4-64.5-176.4-178.5-179.70110.6Y436Y436-K438 PolarHBondContact O-N 3.13Å
439P80.9Confident72.3Confident103 Ų103129 Ų12967%0.66964%0.644SS**  trans-64.4144.7172.727.7-33.8000111.1R441P439-R441 PolarHBondContact O-N 3.34Å; P439-R441 VanDerWaalsContact O-N 3.16Å
440W80.7Confident72.2Confident234 Ų234132 Ų13289%0.88665%0.653SS**SBendtrans-54.8-33-178.8167.4-111000113.9
441R78.9Confident71.7Confident159 Ų159135.1 Ų135.160%0.666%0.655SS**SBendtrans-116.1129.9175.7-70.3-87.7-136-100.6-3.9108.6P439 D443P439-R441 PolarHBondContact O-N 3.34Å; P439-R441 VanDerWaalsContact O-N 3.16Å; R441-D443 HydrophobicContact CB-CB 4.24Å; R441-D443 PolarHBondContact O-N 2.83Å
442G71.2Confident71Confident38 Ų38135.7 Ų135.739%0.39265%0.646SS.*THydrogen-bonded Turntrans-69.617.6169.400000113.9S444 E445 L446G442-S444 PolarHBondContact O-N 2.9Å; G442-E445 PolarHBondContact O-N 3.31Å; G442-L446 PolarHBondContact O-N 3.42Å
443D64.6Low70.6Confident83 Ų83137.9 Ų137.944%0.44466%0.664SS.*Hα-helixtrans-59.7-31.6-173.6-76.2-16.3000111.3R441 E445 L446 V447R441-D443 HydrophobicContact CB-CB 4.24Å; R441-D443 PolarHBondContact O-N 2.83Å; D443-E445 VanDerWaalsContact C-N 3.3Å; D443-E445 PolarHBondContact O-N 3.26Å; D443-L446 PolarHBondContact O-N 3.27Å; D443-V447 WeakPolarHBondContact O-CB 3.37Å; D443-V447 WeakPolarHBondContact O-CG2 3.27Å; D443-V447 PolarHBondContact O-N 2.93Å
444S65.8Low70.1Confident97 Ų97136.8 Ų136.868%0.67866%0.659SS**Hα-helixtrans-66.5-27.9177.1-169.90000114.1G442G442-S444 PolarHBondContact O-N 2.9Å
445E64.5Low69.4Low156 Ų156140.4 Ų140.473%0.72967%0.672SS**Hα-helixtrans-90.2-36.3177.7-70-177.616700111.1G442 D443G442-E445 PolarHBondContact O-N 3.31Å; D443-E445 VanDerWaalsContact C-N 3.3Å; D443-E445 PolarHBondContact O-N 3.26Å
446L65.2Low68.5Low97 Ų97142.7 Ų142.751%0.50868%0.677SS.*Hα-helixtrans-70.2-34.4176.9-82.6151000112.8G442 D443 N448 H449 I450G442-L446 PolarHBondContact O-N 3.42Å; D443-L446 PolarHBondContact O-N 3.27Å; L446-N448 PolarHBondContact O-N 2.9Å; L446-N448 VanDerWaalsContact O-N 3.11Å; L446-H449 PolarHBondContact O-N 2.68Å; L446-I450 HydrophobicContact CB-CD1 3.77Å; L446-I450 HydrophobicContact CB-CG1 4.29Å; L446-I450 WeakPolarHBondContact O-CD1 3.4Å; L446-I450 WeakPolarHBondContact O-CG1 3.43Å; L446-I450 PolarHBondContact O-N 3.14Å
447V65.2Low67.3Low100 Ų100139.3 Ų139.361%0.60667%0.672SS**THydrogen-bonded Turntrans-58.7-26.9179.2163.50000112.5D443 H449D443-V447 WeakPolarHBondContact O-CB 3.37Å; D443-V447 WeakPolarHBondContact O-CG2 3.27Å; D443-V447 PolarHBondContact O-N 2.93Å; V447-H449 VanDerWaalsContact C-N 3.27Å; V447-H449 PolarHBondContact O-N 2.87Å
448N68.3Low66.5Low97 Ų97135.8 Ų135.852%0.51966%0.656SS.*THydrogen-bonded Turntrans-75.9-11.7176.5-71.2-31.6000114.3L446L446-N448 PolarHBondContact O-N 2.9Å; L446-N448 VanDerWaalsContact O-N 3.11Å
449H68.2Low65.6Low154 Ų154135.7 Ų135.771%0.71366%0.664SS**THydrogen-bonded Turntrans-125.5-14.4-174-66.3-65.7000115L446 V447 Y451L446-H449 PolarHBondContact O-N 2.68Å; V447-H449 VanDerWaalsContact C-N 3.27Å; V447-H449 PolarHBondContact O-N 2.87Å; H449-Y451 VanDerWaalsContact C-N 3.28Å; H449-Y451 PolarHBondContact O-N 2.7Å
450I69.1Low64.7Low112 Ų112134.6 Ų134.657%0.57466%0.663SS**SBendtrans-65.2-24.5-174.1-77.8161.5000113.6L446L446-I450 HydrophobicContact CB-CD1 3.77Å; L446-I450 HydrophobicContact CB-CG1 4.29Å; L446-I450 WeakPolarHBondContact O-CD1 3.4Å; L446-I450 WeakPolarHBondContact O-CG1 3.43Å; L446-I450 PolarHBondContact O-N 3.14Å
451Y61.3Low63.6Low209 Ų209132 Ų13282%0.8265%0.654SS**SBendtrans-154.993175-147.2-102.8000112.5H449H449-Y451 VanDerWaalsContact C-N 3.28Å; H449-Y451 PolarHBondContact O-N 2.7Å
452R61.7Low62.4Low164 Ų164127 Ų12762%0.61965%0.653SS**  trans-137.387.8171.9-111.1177.6165148-2109.9R454R452-R454 PolarHBondContact O-N 3.27Å
453P62.1Low61.6Low117 Ų117132.5 Ų132.576%0.7668%0.679SS**  trans-63.1108168.425.2-30.7000108.3
454R60.9Low61.4Low191 Ų191133.6 Ų133.672%0.72169%0.685SS**  trans-105.7123.6175-75.3-173.1170.6-177.1-0.6109.1R452 K456R452-R454 PolarHBondContact O-N 3.27Å; R454-K456 PolarHBondContact O-N 3.27Å
455Q60.3Low61.2Low198 Ų198133.1 Ų133.193%0.92567%0.674SS**SBendtrans-7937.8-177.7-164.2160.2-3.300113.3
456K59Low61.1Low177 Ų177131.1 Ų131.177%0.7767%0.669SS**  trans-139.967.4-172.3-82.6-173171.6-176.70111.4R454R454-K456 PolarHBondContact O-N 3.27Å
457D52.7Low61.1Low127 Ų127129.3 Ų129.368%0.67967%0.668SS**  trans-113.541.8156.7-84.1-19.4000109.6D459D457-D459 VanDerWaalsContact C-N 3.26Å; D457-D459 PolarHBondContact O-N 3.49Å
458T58.2Low60.9Low75 Ų75128.7 Ų128.746%0.4666%0.66SS.*  trans-71.8-17.9176.717.70000113.6L465T458-L465 HydrophobicContact CG2-CD1 3.65Å
459D58.8Low60.7Low162 Ų162131.9 Ų131.987%0.86667%0.67SS**SBendtrans-97.2-13.2-174.1-56.9-27.6000112.5D457D457-D459 VanDerWaalsContact C-N 3.26Å; D457-D459 PolarHBondContact O-N 3.49Å
460A62.4Low60.7Low79 Ų79133.2 Ų133.265%0.65367%0.673SS**SBendtrans-86.3-15.8172.700000113.1
461Y56.3Low60.4Low179 Ų179130.7 Ų130.770%0.70266%0.663SS**SBendtrans-119.694.3179.3-70.1-86.3000109.4
462G55.3Low60.7Low56 Ų56130.4 Ų130.458%0.57767%0.666SS**  trans-56.8139.3-169.700000116.2D464G462-D464 PolarHBondContact O-N 2.71Å
463T54.6Low61.1Low152 Ų152132.8 Ų132.893%0.93368%0.675SS**SBendtrans45.611.1141.160.70000121.6
464D58.9Low61Low107 Ų107134.9 Ų134.957%0.57267%0.673SS**  trans-110.1-3.7177.5-131.52.8000113.8G462 A467 L468G462-D464 PolarHBondContact O-N 2.71Å; D464-A467 PolarHBondContact O-N 2.99Å; D464-L468 PolarHBondContact O-N 2.87Å; D464-L468 VanDerWaalsContact O-N 3.14Å
465L62Low61.1Low87 Ų87130.5 Ų130.546%0.45567%0.667SS.*Hα-helixtrans-72.8-28-178-80.8171.5000114.5T458 K469T458-L465 HydrophobicContact CG2-CD1 3.65Å; L465-K469 WeakPolarHBondContact O-CB 3.38Å; L465-K469 WeakPolarHBondContact O-CG 3.25Å; L465-K469 PolarHBondContact O-N 3.35Å
466D62.4Low61.2Low114 Ų114125.7 Ų125.761%0.6165%0.653SS**Hα-helixtrans-80.3-21.3176.1-83-19.3000113.1
467A64.7Low61.6Low59 Ų59125.5 Ų125.549%0.48866%0.66SS.*Hα-helixtrans-76.1-38168.400000111.1D464D464-A467 PolarHBondContact O-N 2.99Å
468L62.4Low62.4Low86 Ų86130.6 Ų130.645%0.4567%0.67SS.*Hα-helixtrans-70.2-37.2174.7-87.6148.2000113.4D464 K470 T471 F474D464-L468 PolarHBondContact O-N 2.87Å; D464-L468 VanDerWaalsContact O-N 3.14Å; L468-K470 VanDerWaalsContact C-N 3.29Å; L468-K470 PolarHBondContact O-N 3.41Å; L468-T471 PolarHBondContact O-N 2.77Å; L468-T471 PolarHBondContact O-OG1 3.27Å; L468-F474 HydrophobicContact CD2-CE2 4.5Å
469K64.3Low62.7Low164 Ų164133.1 Ų133.171%0.71368%0.677SS**THydrogen-bonded Turntrans-65.2-22.5176-89.1178.5177.1173.70115L465L465-K469 WeakPolarHBondContact O-CB 3.38Å; L465-K469 WeakPolarHBondContact O-CG 3.25Å; L465-K469 PolarHBondContact O-N 3.35Å
470K66.6Low63Low182 Ų182133.6 Ų133.679%0.79167%0.671SS**THydrogen-bonded Turntrans-87.5-3.5179-77.4176.1179.6171.70113.7L468L468-K470 VanDerWaalsContact C-N 3.29Å; L468-K470 PolarHBondContact O-N 3.41Å
471T63.6Low63.1Low60 Ų60135 Ų13537%0.36868%0.676SS.*SBendtrans-89129.4175.368.80000110.3L468 R473L468-T471 PolarHBondContact O-N 2.77Å; L468-T471 PolarHBondContact O-OG1 3.27Å; T471-R473 PolarHBondContact O-N 3.49Å
472K68Low63.6Low203 Ų203130.3 Ų130.388%0.88368%0.682SS**THydrogen-bonded Turntrans-69.125.1176.5-66-174.6176.6-175.70113.6
473R68.6Low63.7Low213 Ų213131.1 Ų131.180%0.80468%0.676SS**THydrogen-bonded Turntrans-85.5-12.1-174.6-76.3-178164.1-166.2-4.3113.9T471T471-R473 PolarHBondContact O-N 3.49Å
474F61.7Low63.9Low161 Ų161129.1 Ų129.171%0.70666%0.66SS**SBendtrans-130.723-171-60.5-72.2000114.9L468L468-F474 HydrophobicContact CD2-CE2 4.5Å
475V62.7Low64.3Low100 Ų100131.6 Ų131.661%0.60667%0.668SS**  trans-96.6115.7172.4-176.90000108.3
476P62.2Low64.4Low96 Ų96131.7 Ų131.762%0.62368%0.676SS**  trans-67.1137.5174.4-16.330000110.9R478P476-R478 PolarHBondContact O-N 3.31Å
477D67.5Low64.2Low174 Ų174135.9 Ų135.993%0.9368%0.683SS**SBendtrans-66.93.5-177.8-69.7-32.2000114.9
478R68.3Low63.8Low233 Ų233145 Ų14588%0.87971%0.705SS**  trans-153.6107.6-176.1-157.6166.9161.4142.1-4112.2P476P476-R478 PolarHBondContact O-N 3.31Å
479E66.2Low63.4Low129 Ų129148.9 Ų148.960%0.60373%0.725SS**PPolyproline II helixtrans-85.5153.9178.3-63.1175.2-176.600111.7
480F63.4Low63Low172 Ų172149.3 Ų149.375%0.75474%0.735SS**PPolyproline II helixtrans-77.6134.1-178.5-176.3-98.8000110.9G482 T483F480-G482 PolarHBondContact O-N 3.31Å; F480-G482 VanDerWaalsContact O-N 3.13Å; F480-T483 PolarHBondContact O-N 3.29Å; F480-T483 PolarHBondContact O-OG1 3.43Å; F480-T483 VanDerWaalsContact O-OG1 3.09Å
481S65.7Low63.1Low107 Ų107143 Ų14375%0.74872%0.722SS**THydrogen-bonded Turntrans-62.1116179.359.30000110.8
482G66.2Low63.3Low81 Ų81146.1 Ų146.184%0.83574%0.743SS**THydrogen-bonded Turntrans130.4-9-179.400000114.3F480F480-G482 PolarHBondContact O-N 3.31Å; F480-G482 VanDerWaalsContact O-N 3.13Å
483T57.4Low63.1Low74 Ų74141.6 Ų141.645%0.45473%0.733SS.*  trans-100.980.5174.952.20000111F480 H485F480-T483 PolarHBondContact O-N 3.29Å; F480-T483 PolarHBondContact O-OG1 3.43Å; F480-T483 VanDerWaalsContact O-OG1 3.09Å; T483-H485 PolarHBondContact O-N 3.24Å
484D60.1Low62.6Low110 Ų110140.6 Ų140.659%0.58874%0.737SS**  trans-87.5104.8173.5-158.9-17.7000109.5S486D484-S486 VanDerWaalsContact CG-OG 3.24Å; D484-S486 PolarHBondContact O-N 2.71Å; D484-S486 PolarHBondContact OD1-OG 3.26Å
485H65.6Low62.2Low159 Ų159141.4 Ų141.474%0.73674%0.74SS**THydrogen-bonded Turntrans-68.91.7-177.2-72.1-32.2000114.5T483T483-H485 PolarHBondContact O-N 3.24Å
486S64.8Low61.9Low89 Ų89145.1 Ų145.162%0.62275%0.751SS**THydrogen-bonded Turntrans-83.1-9.5178.962.10000114.4D484D484-S486 VanDerWaalsContact CG-OG 3.24Å; D484-S486 PolarHBondContact O-N 2.71Å; D484-S486 PolarHBondContact OD1-OG 3.26Å
487R57.6Low61.4Low201 Ų201151.5 Ų151.576%0.75876%0.763SS**  trans-107.8109.7-177.8-63.7-174-176.2-171.11.1112.4L489R487-L489 PolarHBondContact O-N 3.14Å
488R57.9Low60.6Low251 Ų251150.2 Ų150.295%0.94776%0.756SS**  trans-70.5105.2167.6-71-178.4173.8-177.5-2.1109.1D490R488-D490 PolarHBondContact O-N 3.42Å
489L53.4Low59.6Low167 Ų167147.8 Ų147.887%0.87476%0.755SS**  trans-83.497.5171.8-81.5156.1000109R487R487-L489 PolarHBondContact O-N 3.14Å
490D55.3Low58.9Low173 Ų173150.4 Ų150.493%0.92577%0.767SS**  trans-107.797.8169.5-151.89.2000107.9R488R488-D490 PolarHBondContact O-N 3.42Å
491G69.9Low59Low51 Ų51145.7 Ų145.753%0.52675%0.75SS.*SBendtrans149.8140179.800000113
492P67.4Low59.2Low124 Ų124145.8 Ų145.881%0.80575%0.748SS**SBendtrans-62.7140.7175.127.3-31.5000109.8Q494P492-Q494 PolarHBondContact O-N 3.39Å
493V62.8Low59.2Low109 Ų109149.6 Ų149.666%0.66174%0.742SS**  trans-37.5108.7-178.4177.80000111.3F495V493-F495 HydrophobicContact CB-CE2 4.18Å; V493-F495 HydrophobicContact CB-CZ 4.31Å; V493-F495 HydrophobicContact CG1-CD1 4.25Å; V493-F495 HydrophobicContact CG1-CD2 4.22Å; V493-F495 HydrophobicContact CG1-CE1 3.92Å; V493-F495 HydrophobicContact CG1-CE2 3.89Å; V493-F495 HydrophobicContact CG1-CG 4.4Å; V493-F495 HydrophobicContact CG1-CZ 3.73Å; V493-F495 WeakPolarHBondContact O-CD2 3.43Å; V493-F495 PolarHBondContact O-N 3.22Å
494Q59.1Low59.6Low191 Ų191151.1 Ų151.189%0.89375%0.747SS**  trans-73.4107.6168.4-71.1-175.9-19.800107.1P492 E496P492-Q494 PolarHBondContact O-N 3.39Å; Q494-E496 PolarHBondContact O-N 3.06Å
495F53.1Low60.1Low178 Ų178150.7 Ų150.778%0.78174%0.744SS**  trans-78115.1168.1-65.1-82.2000107.7V493 R497V493-F495 HydrophobicContact CB-CE2 4.18Å; V493-F495 HydrophobicContact CB-CZ 4.31Å; V493-F495 HydrophobicContact CG1-CD1 4.25Å; V493-F495 HydrophobicContact CG1-CD2 4.22Å; V493-F495 HydrophobicContact CG1-CE1 3.92Å; V493-F495 HydrophobicContact CG1-CE2 3.89Å; V493-F495 HydrophobicContact CG1-CG 4.4Å; V493-F495 HydrophobicContact CG1-CZ 3.73Å; V493-F495 WeakPolarHBondContact O-CD2 3.43Å; V493-F495 PolarHBondContact O-N 3.22Å; F495-R497 PolarHBondContact O-N 3.49Å; F495-R497 VanDerWaalsContact O-N 3.17Å
496E56.2Low60.2Low179 Ų179146.3 Ų146.384%0.83673%0.731SS**  trans-60115.5162.2-74.1177.7160.600107.1Q494 D498Q494-E496 PolarHBondContact O-N 3.06Å; E496-D498 VanDerWaalsContact C-N 3.33Å; E496-D498 PolarHBondContact O-N 3.23Å; E496-D498 VanDerWaalsContact O-N 3.09Å
497R51.8Low60.4Low230 Ų230148.8 Ų148.887%0.86873%0.731SS**  trans-81.388.4178.6-169.2-176.8-159.4172.46.1106.7F495 E499F495-R497 PolarHBondContact O-N 3.49Å; F495-R497 VanDerWaalsContact O-N 3.17Å; R497-E499 PolarHBondContact O-N 3.49Å
498D51.1Low61.1Low147 Ų147146.2 Ų146.279%0.78673%0.725SS**  trans-54131.7168.2-74.8-29.9000109.4E496E496-D498 VanDerWaalsContact C-N 3.33Å; E496-D498 PolarHBondContact O-N 3.23Å; E496-D498 VanDerWaalsContact O-N 3.09Å
499E46.3Very low61.8Low182 Ų182139.8 Ų139.885%0.8571%0.709SS**SBendtrans-64.3152.5-175.6-64.5172.4145.300110.4R497R497-E499 PolarHBondContact O-N 3.49Å
500E53Low62.7Low184 Ų184134.9 Ų134.986%0.8669%0.689SS**  trans89.493.7177.3-50.7-179170.500115.3P502E500-P502 WeakPolarHBondContact O-CD 3.47Å
501D64.5Low63.2Low73 Ų73134.8 Ų134.839%0.3968%0.68SS.*  trans-8395.6162.5172.110000108.2F503 N504 L505 S506D501-F503 PolarHBondContact O-N 3.08Å; D501-F503 PolarHBondContact OD1-N 3.46Å; D501-N504 PolarHBondContact O-N 3.27Å; D501-L505 PolarHBondContact OD2-N 3.04Å; D501-S506 PolarHBondContact OD2-OG 3.06Å; D501-S506 VanDerWaalsContact OD2-OG 3.06Å
502P69.4Low63Low109 Ų109137.1 Ų137.171%0.70868%0.684SS**THydrogen-bonded Turntrans-63.1-11-172.722.7-33.8000114.2E500E500-P502 WeakPolarHBondContact O-CD 3.47Å
503F65.9Low63Low161 Ų161140.4 Ų140.471%0.70669%0.686SS**THydrogen-bonded Turntrans-112.13.5-174.6-69-76.8000114.3D501 L505D501-F503 PolarHBondContact O-N 3.08Å; D501-F503 PolarHBondContact OD1-N 3.46Å; F503-L505 HydrophobicContact CB-CD1 3.69Å; F503-L505 HydrophobicContact CB-CG 4.16Å; F503-L505 PolarHBondContact O-N 3.03Å
504N65.9Low62.9Low106 Ų106144.2 Ų144.257%0.56769%0.693SS**  trans50.821.9174.9-94-21.8000114.7D501 S506 K507D501-N504 PolarHBondContact O-N 3.27Å; N504-S506 PolarHBondContact O-N 3.49Å; N504-K507 PolarHBondContact O-N 2.71Å; N504-K507 VanDerWaalsContact O-N 3.1Å
505L70.6Confident62.3Low100 Ų100139.4 Ų139.452%0.52469%0.687SS.*Hα-helixtrans-64.2-29.7-174.4-83.5151.9000111.5D501 F503 K507 F508 L509D501-L505 PolarHBondContact OD2-N 3.04Å; F503-L505 HydrophobicContact CB-CD1 3.69Å; F503-L505 HydrophobicContact CB-CG 4.16Å; F503-L505 PolarHBondContact O-N 3.03Å; L505-K507 PolarHBondContact O-N 3.4Å; L505-F508 PolarHBondContact O-N 3.1Å; L505-L509 PolarHBondContact O-N 3.15Å; L505-L509 VanDerWaalsContact O-N 3.13Å
506S68.9Low62.2Low67 Ų67140.3 Ų140.347%0.46969%0.693SS.*Hα-helixtrans-63.7-32.3175.3510000114.2D501 N504 S510D501-S506 PolarHBondContact OD2-OG 3.06Å; D501-S506 VanDerWaalsContact OD2-OG 3.06Å; N504-S506 PolarHBondContact O-N 3.49Å; S506-S510 PolarHBondContact O-N 3.22Å; S506-S510 PolarHBondContact O-OG 3.41Å
507K69.1Low61.7Low141 Ų141141.7 Ų141.761%0.61370%0.697SS**Hα-helixtrans-78.2-28.3174.1-95.5177.9-179.2168.30113.1N504 L505 S510 K511N504-K507 PolarHBondContact O-N 2.71Å; N504-K507 VanDerWaalsContact O-N 3.1Å; L505-K507 PolarHBondContact O-N 3.4Å; K507-S510 PolarHBondContact O-OG 2.88Å; K507-K511 PolarHBondContact O-N 3.31Å
508F71.7Confident61.5Low147 Ų147142.3 Ų142.365%0.64570%0.699SS**Hα-helixtrans-72.7-45.3177.3-173.2-101.1000111.2L505 S510 K511 V512L505-F508 PolarHBondContact O-N 3.1Å; F508-S510 VanDerWaalsContact C-N 3.33Å; F508-S510 PolarHBondContact O-N 3.21Å; F508-K511 PolarHBondContact O-N 2.76Å; F508-V512 HydrophobicContact CE1-CG2 4.46Å; F508-V512 PolarHBondContact O-N 3.4Å
509L72.6Confident61.1Low117 Ų117141.4 Ų141.461%0.61370%0.701SS**Hα-helixtrans-68.5-28-179.6-73.5165.9000113.7L505 K513L505-L509 PolarHBondContact O-N 3.15Å; L505-L509 VanDerWaalsContact O-N 3.13Å; L509-K513 PolarHBondContact O-N 3.05Å
510S71.9Confident60.9Low64 Ų64136.6 Ų136.645%0.44870%0.7SS.*Hα-helixtrans-79.3-24.7176.951.80000114S506 K507 F508S506-S510 PolarHBondContact O-N 3.22Å; S506-S510 PolarHBondContact O-OG 3.41Å; K507-S510 PolarHBondContact O-OG 2.88Å; F508-S510 VanDerWaalsContact C-N 3.33Å; F508-S510 PolarHBondContact O-N 3.21Å
511K66.8Low60.3Low170 Ų170137.7 Ų137.774%0.73971%0.705SS**Hα-helixtrans-77.7-31.2173.7-79.4-177.9177.8178.90113K507 F508K507-K511 PolarHBondContact O-N 3.31Å; F508-K511 PolarHBondContact O-N 2.76Å
512V65.4Low59.2Low101 Ų101137.4 Ų137.461%0.61272%0.72SS**Hα-helixtrans-74.7-28177.1177.50000111.8F508F508-V512 HydrophobicContact CE1-CG2 4.46Å; F508-V512 PolarHBondContact O-N 3.4Å
513K67Low57.7Low193 Ų193138.7 Ų138.784%0.83973%0.726SS**THydrogen-bonded Turntrans-86.1-5.3-177.8-157170.5178.8178.20114.8L509L509-K513 PolarHBondContact O-N 3.05Å
514K61.6Low56.6Low188 Ų188136.8 Ų136.882%0.81773%0.733SS**THydrogen-bonded Turntrans-108.27-175.4-102.3-177.4177.8-1780115.7E516K514-E516 PolarHBondContact O-N 3.49Å
515A46.1Very low55.3Low91 Ų91134.9 Ų134.975%0.75274%0.737SS**  trans-94.296.3174.700000110.6
516E50.4Low53.8Low196 Ų196136.1 Ų136.192%0.91675%0.75SS**PPolyproline II helixtrans-81.8160.9179.6-97.6-178.4148.800114.7K514K514-E516 PolarHBondContact O-N 3.49Å
517K45.3Very low52.3Low209 Ų209139.1 Ų139.191%0.90976%0.76SS**PPolyproline II helixtrans-71147.7-169.2-68166.4168.4176.80114.9
518R48.5Very low51Low243 Ų243139.4 Ų139.492%0.91777%0.767SS**PPolyproline II helixtrans-79.9167.6171.1-67.9174.5158.6156.5-6.6113.4
519P41.6Very low49.6Very low127 Ų127137.5 Ų137.583%0.82577%0.772SS**  trans-119.5160.514632.9-18.3000114
520G42.7Very low48Very low81 Ų81140.1 Ų140.184%0.83579%0.787SS**  trans-63.9-178.7-172.700000116.1
521E41.1Very low46.6Very low207 Ų207148.4 Ų148.497%0.96781%0.808SS**  cis-170.5158.244.2-178174.8-172.300108.8
522G40.8Very low45.6Very low67 Ų67147 Ų14769%0.69181%0.809SS**  trans141.577.7162.900000118
523T37.3Very low44.4Very low136 Ų136147.3 Ų147.383%0.83481%0.811SS**  trans5.4124.4147.145.90000120.6
524S42.8Very low43.4Very low122 Ų122144 Ų14485%0.85381%0.807SS**  151.9134.8112.259.80000112.7
525G38.5Very low42.6Very low65 Ų65143.7 Ų143.767%0.6781%0.808SS**  trans96.3108.3140.200000118.8
526T38.7Very low42.5Very low127 Ų127151.1 Ų151.178%0.77982%0.817SS**  trans79.592.9133.625.40000119.4
527D38.7Very low42.3Very low130 Ų130151 Ų15170%0.69581%0.813SS**  57.2115.5103.8-65.8-30.7000121.4
528I40.5Very low42.4Very low146 Ų146151.6 Ų151.675%0.74981%0.81SS**  68.3107.7125.7-50.7162.8000117.4
529S43.8Very low42.7Very low107 Ų107147.9 Ų147.975%0.74881%0.808SS**  16796.6106.744.70000112.8
530N38.7Very low42.7Very low173 Ų173153.4 Ų153.493%0.92581%0.812SS**  trans-95107.7143.1-95.6-17.1000106.1
531R41.3Very low43.3Very low237 Ų237158.2 Ų158.289%0.89481%0.81SS**  trans-149.292.9161.3-153.7171.7-175.9158.13.4110.6
532D45.9Very low43.7Very low141 Ų141158.8 Ų158.875%0.75482%0.82SS**  trans-54.6132.7155.8-98.5-38.6000110.8
533T41.5Very low43.9Very low107 Ų107163.4 Ų163.466%0.65683%0.826SS**  trans66.4136.5142.268.40000120.3
534T46.2Very low44.2Very low123 Ų123164.8 Ų164.876%0.75583%0.826SS**  trans95.7107.6158.175.40000119.3
535H44.8Very low44.3Very low182 Ų182167.2 Ų167.284%0.84382%0.824SS**  trans49.4121.2136.3-71-60.1000122.1
536R43Very low44.6Very low247 Ų247173.2 Ų173.293%0.93283%0.833SS**  trans-163.395.5138.5-102.4162.1-168.8-172.82.7109.8
537K46.5Very low45Very low193 Ų193176.1 Ų176.184%0.83984%0.837SS**  8.2109.8106.7-101.4178.4171.8177.80113
538R46.7Very low45.4Very low222 Ų222179.1 Ų179.184%0.83885%0.846SS**  45110101.3-71.7-173.8-174.2171.32.3111.9
539D55.2Low45.8Very low165 Ų165181.5 Ų181.588%0.88285%0.853SS**  -166141.3108.2-86.6-31.1000112.5
540R42.4Very low45.9Very low243 Ų243187.2 Ų187.292%0.91786%0.861SS**  trans-77140.1162.4-77.7171.4165.6160.3-5.8107.7
541K55Low46.5Very low182 Ų182188.4 Ų188.479%0.79186%0.856SS**  trans-165.9134.7135.9-127.8-178.2170.3-176.30111.4
542D50Low47Very low219 Ų219184 Ų184100%1.17185%0.853SS**  trans68.80163.4-51.5-32000119.1

Retrieved 542 of 542 residues in 422.3 ms (Link to these results)